| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 58.7 | Low | 86.8 | Confident | 125 Ų | 125 | 81 Ų | 81 | 62% | 0.616 | 38% | 0.382 | S | S | * | . | 0 | 135.8 | 0 | -139.5 | -179.6 | -79.8 | 0 | 0 | 105.7 | E5 E6 | M1-E5 WeakPolarHBondContact CA-OE2 3.28Å; M1-E5 HydrophobicContact CG-CB 3.67Å; M1-E5 VanDerWaalsContact CG-OE2 3.26Å; M1-E5 WeakPolarHBondContact CG-OE2 3.43Å; M1-E5 HydrophobicContact SD-CB 4.27Å; M1-E6 HydrophobicContact CB-CG 3.69Å; M1-E6 HydrophobicContact CG-CG 4.3Å; M1-E6 HydrophobicContact SD-CG 4.19Å | |||
| 2 | R | 78.1 | Confident | 87.5 | Confident | 197 Ų | 197 | 74.3 Ų | 74.3 | 74% | 0.743 | 35% | 0.35 | S | S | * | . | trans | -64.9 | 148.4 | 177.7 | -66.6 | 175.7 | -179.1 | 173.7 | 2.8 | 108.5 | A4 E5 E6 | R2-A4 PolarHBondContact O-N 3.45Å; R2-E5 HydrophobicContact CB-CG 4.16Å; R2-E5 PolarHBondContact N-OE2 2.84Å; R2-E5 WeakPolarHBondContact O-CA 3.4Å; R2-E5 WeakPolarHBondContact O-CB 3.4Å; R2-E5 PolarHBondContact O-N 3.18Å; R2-E6 PolarHBondContact O-N 3.39Å; R2-E6 VanDerWaalsContact O-N 3.15Å | ||
| 3 | L | 85.7 | Confident | 88 | Confident | 152 Ų | 152 | 71.4 Ų | 71.4 | 80% | 0.796 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -48.9 | -38.8 | -177.2 | -79.3 | 163.2 | 0 | 0 | 0 | 113.5 | E6 A7 | L3-E6 PolarHBondContact O-N 2.87Å; L3-A7 WeakPolarHBondContact O-CB 3.49Å; L3-A7 PolarHBondContact O-N 2.93Å |
| 4 | A | 87 | Confident | 88.5 | Confident | 32 Ų | 32 | 75.5 Ų | 75.5 | 26% | 0.264 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.3 | -33 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R2 A7 M8 V29 | R2-A4 PolarHBondContact O-N 3.45Å; A4-A7 PolarHBondContact O-N 3.45Å; A4-M8 WeakPolarHBondContact O-CB 3.43Å; A4-M8 PolarHBondContact O-N 3.15Å; A4-V29 HydrophobicContact CB-CG2 3.79Å |
| 5 | E | 87.7 | Confident | 89 | Confident | 47 Ų | 47 | 72.5 Ų | 72.5 | 22% | 0.22 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.7 | -37.8 | 176.2 | -62.9 | 166.5 | -175.7 | 0 | 0 | 111 | M1 R2 M8 Y9 L33 | M1-E5 WeakPolarHBondContact CA-OE2 3.28Å; M1-E5 HydrophobicContact CG-CB 3.67Å; M1-E5 VanDerWaalsContact CG-OE2 3.26Å; M1-E5 WeakPolarHBondContact CG-OE2 3.43Å; M1-E5 HydrophobicContact SD-CB 4.27Å; R2-E5 HydrophobicContact CB-CG 4.16Å; R2-E5 PolarHBondContact N-OE2 2.84Å; R2-E5 WeakPolarHBondContact O-CA 3.4Å; R2-E5 WeakPolarHBondContact O-CB 3.4Å; R2-E5 PolarHBondContact O-N 3.18Å; E5-M8 PolarHBondContact O-N 3.36Å; E5-Y9 WeakPolarHBondContact O-CB 3.41Å; E5-Y9 PolarHBondContact O-N 2.85Å; E5-L33 HydrophobicContact CB-CD1 4.18Å; E5-L33 HydrophobicContact CB-CD2 3.82Å; E5-L33 HydrophobicContact CG-CD1 3.7Å; E5-L33 HydrophobicContact CG-CD2 3.94Å |
| 6 | E | 89.5 | Confident | 89.4 | Confident | 70 Ų | 70 | 72.3 Ų | 72.3 | 33% | 0.327 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 172.5 | -61.8 | -171.6 | 176.9 | 0 | 0 | 111.6 | M1 R2 L3 Y9 R10 | M1-E6 HydrophobicContact CB-CG 3.69Å; M1-E6 HydrophobicContact CG-CG 4.3Å; M1-E6 HydrophobicContact SD-CG 4.19Å; R2-E6 PolarHBondContact O-N 3.39Å; R2-E6 VanDerWaalsContact O-N 3.15Å; L3-E6 PolarHBondContact O-N 2.87Å; E6-Y9 PolarHBondContact O-N 3.04Å; E6-R10 VanDerWaalsContact O-CG 3.31Å; E6-R10 WeakPolarHBondContact O-CG 3.26Å; E6-R10 PolarHBondContact O-N 2.88Å; E6-R10 IonicContact OE2-NH2 3.43Å |
| 7 | A | 92.6 | Very high | 89.9 | Confident | 36 Ų | 36 | 70.9 Ų | 70.9 | 30% | 0.298 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | L3 A4 Y9 R10 S11 L23 | L3-A7 WeakPolarHBondContact O-CB 3.49Å; L3-A7 PolarHBondContact O-N 2.93Å; A4-A7 PolarHBondContact O-N 3.45Å; A7-Y9 PolarHBondContact O-N 2.99Å; A7-R10 PolarHBondContact O-N 3.46Å; A7-S11 PolarHBondContact O-N 3.15Å; A7-S11 PolarHBondContact O-OG 3.29Å; A7-L23 HydrophobicContact CB-CD1 4Å; A7-L23 HydrophobicContact CB-CD2 4.14Å |
| 8 | M | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.9 | -48.5 | 176.6 | -175 | 65.3 | 80.2 | 0 | 0 | 111.3 | A4 E5 R10 S11 I12 V20 L23 L24 V29 L33 Y35 F58 | A4-M8 WeakPolarHBondContact O-CB 3.43Å; A4-M8 PolarHBondContact O-N 3.15Å; E5-M8 PolarHBondContact O-N 3.36Å; M8-R10 VanDerWaalsContact C-N 3.33Å; M8-R10 PolarHBondContact O-N 2.69Å; M8-S11 PolarHBondContact O-N 3.45Å; M8-I12 HydrophobicContact CG-CD1 4.26Å; M8-I12 WeakPolarHBondContact O-CG1 3.24Å; M8-I12 PolarHBondContact O-N 2.92Å; M8-V20 HydrophobicContact SD-CB 4.13Å; M8-V20 HydrophobicContact SD-CG1 3.82Å; M8-V20 HydrophobicContact SD-CG2 3.97Å; M8-L23 HydrophobicContact CB-CD1 4.08Å; M8-L23 HydrophobicContact CE-CB 3.38Å; M8-L23 HydrophobicContact CE-CD1 4.32Å; M8-L23 HydrophobicContact CE-CG 4.5Å; M8-L23 HydrophobicContact SD-CB 4.21Å; M8-L23 HydrophobicContact SD-CD1 4.17Å; M8-L24 HydrophobicContact CE-CD2 3.72Å; M8-L24 HydrophobicContact CE-CG 3.65Å; M8-V29 HydrophobicContact CB-CG1 4.37Å; M8-V29 HydrophobicContact CE-CB 3.75Å; M8-V29 HydrophobicContact CE-CG1 3.67Å; M8-V29 HydrophobicContact CE-CG2 4.24Å; M8-V29 HydrophobicContact CG-CG1 4.4Å; M8-L33 HydrophobicContact CB-CD2 4.32Å; M8-L33 HydrophobicContact CG-CD2 4.34Å; M8-Y35 WeakPolarHBondContact CG-OH 3.45Å; M8-F58 HydrophobicContact CG-CZ 4.38Å; M8-F58 HydrophobicContact SD-CZ 4.02Å |
| 9 | Y | 93 | Very high | 90.6 | Very high | 63 Ų | 63 | 71.2 Ų | 71.2 | 25% | 0.247 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -55.4 | -47.8 | 176.3 | 174.1 | -105.1 | 0 | 0 | 0 | 111.9 | E5 E6 A7 I12 V13 Y35 Y36 F45 | E5-Y9 WeakPolarHBondContact O-CB 3.41Å; E5-Y9 PolarHBondContact O-N 2.85Å; E6-Y9 PolarHBondContact O-N 3.04Å; A7-Y9 PolarHBondContact O-N 2.99Å; Y9-I12 PolarHBondContact O-N 3.39Å; Y9-V13 HydrophobicContact CD1-CG2 4.33Å; Y9-V13 HydrophobicContact CD2-CG2 4.25Å; Y9-V13 HydrophobicContact CE1-CG2 3.85Å; Y9-V13 HydrophobicContact CE2-CG2 3.73Å; Y9-V13 WeakPolarHBondContact O-CB 3.34Å; Y9-V13 VanDerWaalsContact O-CG2 3.26Å; Y9-V13 WeakPolarHBondContact O-CG2 3.35Å; Y9-V13 PolarHBondContact O-N 3.13Å; Y9-Y35 AromaticContact CD2-CD1 3.78Å; Y9-Y35 HydrophobicContact CD2-CD1 3.78Å; Y9-Y35 HydrophobicContact CD2-CD2 4.3Å; Y9-Y35 AromaticContact CD2-CE1 4Å; Y9-Y35 HydrophobicContact CD2-CE1 4Å; Y9-Y35 HydrophobicContact CD2-CE2 4.46Å; Y9-Y35 AromaticContact CD2-CG 3.96Å; Y9-Y35 HydrophobicContact CD2-CG 3.96Å; Y9-Y35 HydrophobicContact CG-CD1 4.31Å; Y9-Y35 HydrophobicContact CG-CE1 4.26Å; Y9-Y36 AromaticContact CE2-CE1 3.83Å; Y9-Y36 HydrophobicContact CE2-CE1 3.83Å; Y9-Y36 HydrophobicContact CE2-CE2 4.01Å; Y9-Y36 AromaticContact CE2-CZ 3.35Å; Y9-Y36 WeakPolarHBondContact CE2-OH 3.48Å; Y9-Y36 AromaticContact CZ-CE1 3.82Å; Y9-Y36 AromaticContact CZ-CZ 3.69Å; Y9-Y36 VanDerWaalsContact CZ-OH 3.23Å; Y9-Y36 WeakPolarHBondContact OH-CE1 3.38Å; Y9-Y36 PolarHBondContact OH-OH 3.31Å; Y9-F45 HydrophobicContact CD2-CE1 4.23Å; Y9-F45 AromaticContact CE2-CE1 3.89Å; Y9-F45 HydrophobicContact CE2-CE1 3.89Å; Y9-F45 AromaticContact CE2-CZ 3.95Å; Y9-F45 HydrophobicContact CE2-CZ 3.95Å |
| 10 | R | 93.4 | Very high | 90.9 | Very high | 153 Ų | 153 | 67.6 Ų | 67.6 | 58% | 0.577 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.1 | -40.8 | 178.2 | -70.3 | 175.3 | -166.5 | 178.9 | 8.2 | 112.2 | E6 A7 M8 V13 N14 | E6-R10 VanDerWaalsContact O-CG 3.31Å; E6-R10 WeakPolarHBondContact O-CG 3.26Å; E6-R10 PolarHBondContact O-N 2.88Å; E6-R10 IonicContact OE2-NH2 3.43Å; A7-R10 PolarHBondContact O-N 3.46Å; M8-R10 VanDerWaalsContact C-N 3.33Å; M8-R10 PolarHBondContact O-N 2.69Å; R10-V13 PolarHBondContact O-N 3.23Å; R10-N14 WeakPolarHBondContact O-CB 3.48Å; R10-N14 VanDerWaalsContact O-CG 3.28Å; R10-N14 PolarHBondContact O-N 2.73Å; R10-N14 PolarHBondContact O-ND2 3.36Å |
| 11 | S | 95.5 | Very high | 91.2 | Very high | 16 Ų | 16 | 68.2 Ų | 68.2 | 11% | 0.112 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 177.3 | -67.4 | 0 | 0 | 0 | 0 | 111.5 | A7 M8 V13 N14 G15 D16 | A7-S11 PolarHBondContact O-N 3.15Å; A7-S11 PolarHBondContact O-OG 3.29Å; M8-S11 PolarHBondContact O-N 3.45Å; S11-V13 PolarHBondContact O-N 3.36Å; S11-N14 PolarHBondContact O-N 3.17Å; S11-G15 PolarHBondContact O-N 2.97Å; S11-D16 PolarHBondContact O-N 3.04Å |
| 12 | I | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 172.9 | -57.5 | 169.8 | 0 | 0 | 0 | 110.2 | M8 Y9 N14 G15 V20 Y35 A42 F45 A46 Q51 I54 F58 | M8-I12 HydrophobicContact CG-CD1 4.26Å; M8-I12 WeakPolarHBondContact O-CG1 3.24Å; M8-I12 PolarHBondContact O-N 2.92Å; Y9-I12 PolarHBondContact O-N 3.39Å; I12-N14 PolarHBondContact O-N 2.68Å; I12-G15 PolarHBondContact O-N 3.46Å; I12-V20 HydrophobicContact CG1-CG2 3.86Å; I12-Y35 HydrophobicContact CD1-CE2 3.64Å; I12-Y35 WeakPolarHBondContact CD1-OH 3.18Å; I12-A42 HydrophobicContact CD1-CB 4.17Å; I12-F45 HydrophobicContact CB-CD1 4.36Å; I12-F45 HydrophobicContact CB-CE1 4.39Å; I12-F45 HydrophobicContact CG2-CD1 3.63Å; I12-F45 HydrophobicContact CG2-CE1 3.86Å; I12-A46 HydrophobicContact CG2-CB 4.25Å; I12-Q51 VanDerWaalsContact CG2-OE1 3.28Å; I12-Q51 PolarHBondContact O-NE2 3.22Å; I12-Q51 PolarHBondContact O-OE1 3.42Å; I12-I54 HydrophobicContact CG1-CG2 4.29Å; I12-F58 HydrophobicContact CD1-CE2 3.69Å; I12-F58 HydrophobicContact CD1-CZ 3.65Å; I12-F58 HydrophobicContact CG1-CE2 4.11Å; I12-F58 HydrophobicContact CG1-CZ 4.32Å |
| 13 | V | 94.3 | Very high | 93.7 | Very high | 37 Ų | 37 | 58.8 Ų | 58.8 | 22% | 0.224 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.7 | -34.6 | 179.7 | 164.3 | 0 | 0 | 0 | 0 | 112.6 | Y9 R10 S11 F45 R49 | Y9-V13 HydrophobicContact CD1-CG2 4.33Å; Y9-V13 HydrophobicContact CD2-CG2 4.25Å; Y9-V13 HydrophobicContact CE1-CG2 3.85Å; Y9-V13 HydrophobicContact CE2-CG2 3.73Å; Y9-V13 WeakPolarHBondContact O-CB 3.34Å; Y9-V13 VanDerWaalsContact O-CG2 3.26Å; Y9-V13 WeakPolarHBondContact O-CG2 3.35Å; Y9-V13 PolarHBondContact O-N 3.13Å; R10-V13 PolarHBondContact O-N 3.23Å; S11-V13 PolarHBondContact O-N 3.36Å; V13-F45 HydrophobicContact CG2-CE1 3.99Å; V13-F45 HydrophobicContact CG2-CZ 4.06Å; V13-R49 PolarHBondContact O-NH1 3.2Å; V13-R49 PolarHBondContact O-NH2 3.15Å |
| 14 | N | 94.9 | Very high | 94.1 | Very high | 129 Ų | 129 | 52 Ų | 52 | 69% | 0.69 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -90.2 | -7 | -180 | -65.5 | -22.2 | 0 | 0 | 0 | 113.5 | R10 S11 I12 D16 | R10-N14 WeakPolarHBondContact O-CB 3.48Å; R10-N14 VanDerWaalsContact O-CG 3.28Å; R10-N14 PolarHBondContact O-N 2.73Å; R10-N14 PolarHBondContact O-ND2 3.36Å; S11-N14 PolarHBondContact O-N 3.17Å; I12-N14 PolarHBondContact O-N 2.68Å; N14-D16 VanDerWaalsContact C-N 3.29Å |
| 15 | G | 95.2 | Very high | 94.5 | Very high | 30 Ų | 30 | 53.1 Ų | 53.1 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 25.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.4 | S11 I12 V17 Q51 | S11-G15 PolarHBondContact O-N 2.97Å; I12-G15 PolarHBondContact O-N 3.46Å; G15-V17 PolarHBondContact O-N 3.25Å; G15-V17 VanDerWaalsContact O-N 3.1Å; G15-Q51 VanDerWaalsContact CA-NE2 3.32Å |
| 16 | D | 96.9 | Very high | 94.7 | Very high | 69 Ų | 69 | 56.1 Ų | 56.1 | 37% | 0.369 | 29% | 0.292 | S | S | . | . | trans | -79.5 | 88.8 | 180 | 177.5 | 14.3 | 0 | 0 | 0 | 110.9 | S11 N14 Q18 G19 V20 | S11-D16 PolarHBondContact O-N 3.04Å; N14-D16 VanDerWaalsContact C-N 3.29Å; D16-Q18 PolarHBondContact O-N 3.47Å; D16-Q18 PolarHBondContact OD1-N 2.9Å; D16-G19 PolarHBondContact O-N 3.43Å; D16-G19 PolarHBondContact OD1-N 2.88Å; D16-G19 WeakPolarHBondContact OD2-CA 3.43Å; D16-G19 PolarHBondContact OD2-N 2.8Å; D16-V20 WeakPolarHBondContact O-CG2 3.39Å; D16-V20 PolarHBondContact O-N 3.08Å; D16-V20 VanDerWaalsContact O-N 3.08Å | ||
| 17 | V | 97.3 | Very high | 94.7 | Very high | 49 Ų | 49 | 58.7 Ų | 58.7 | 30% | 0.297 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.4 | -46.2 | -179.6 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | G15 V20 E21 E53 I54 I57 | G15-V17 PolarHBondContact O-N 3.25Å; G15-V17 VanDerWaalsContact O-N 3.1Å; V17-V20 PolarHBondContact O-N 3.04Å; V17-E21 PolarHBondContact O-N 3.21Å; V17-E53 HydrophobicContact CG1-CG 3.75Å; V17-E53 HydrophobicContact CG2-CB 4.41Å; V17-E53 HydrophobicContact CG2-CG 4.31Å; V17-I54 HydrophobicContact CG2-CD1 4.46Å; V17-I54 HydrophobicContact CG2-CG1 4.04Å; V17-I57 HydrophobicContact CG1-CD1 3.36Å |
| 18 | Q | 96.1 | Very high | 94.6 | Very high | 138 Ų | 138 | 64.6 Ų | 64.6 | 65% | 0.645 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -68.9 | -41.1 | -177.5 | -69.9 | -178.3 | -1.7 | 0 | 0 | 111.4 | D16 V20 E21 Q22 | D16-Q18 PolarHBondContact O-N 3.47Å; D16-Q18 PolarHBondContact OD1-N 2.9Å; Q18-V20 PolarHBondContact O-N 2.93Å; Q18-E21 PolarHBondContact O-N 3.25Å; Q18-Q22 WeakPolarHBondContact O-CB 3.23Å; Q18-Q22 WeakPolarHBondContact O-CG 3.34Å; Q18-Q22 PolarHBondContact O-N 2.96Å |
| 19 | G | 95.9 | Very high | 94.5 | Very high | 9 Ų | 9 | 65.1 Ų | 65.1 | 9% | 0.093 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61 | -42.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D16 L23 | D16-G19 PolarHBondContact O-N 3.43Å; D16-G19 PolarHBondContact OD1-N 2.88Å; D16-G19 WeakPolarHBondContact OD2-CA 3.43Å; D16-G19 PolarHBondContact OD2-N 2.8Å; G19-L23 WeakPolarHBondContact O-CB 3.38Å; G19-L23 WeakPolarHBondContact O-CD1 3.48Å; G19-L23 VanDerWaalsContact O-CG 3.23Å; G19-L23 WeakPolarHBondContact O-CG 3.28Å; G19-L23 PolarHBondContact O-N 3.45Å |
| 20 | V | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.7 | -48.6 | 174.4 | 171.3 | 0 | 0 | 0 | 0 | 111 | M8 I12 D16 V17 Q18 Q22 L23 L24 I54 I57 F58 | M8-V20 HydrophobicContact SD-CB 4.13Å; M8-V20 HydrophobicContact SD-CG1 3.82Å; M8-V20 HydrophobicContact SD-CG2 3.97Å; I12-V20 HydrophobicContact CG1-CG2 3.86Å; D16-V20 WeakPolarHBondContact O-CG2 3.39Å; D16-V20 PolarHBondContact O-N 3.08Å; D16-V20 VanDerWaalsContact O-N 3.08Å; V17-V20 PolarHBondContact O-N 3.04Å; Q18-V20 PolarHBondContact O-N 2.93Å; V20-Q22 PolarHBondContact O-N 3.24Å; V20-L23 PolarHBondContact O-N 2.92Å; V20-L24 HydrophobicContact CG1-CD1 3.93Å; V20-L24 WeakPolarHBondContact O-CG 3.34Å; V20-L24 PolarHBondContact O-N 3Å; V20-I54 HydrophobicContact CG1-CG2 4.27Å; V20-I54 HydrophobicContact CG2-CD1 4.26Å; V20-I54 HydrophobicContact CG2-CG1 4.49Å; V20-I54 HydrophobicContact CG2-CG2 4.24Å; V20-I57 HydrophobicContact CG1-CG2 4.19Å; V20-F58 HydrophobicContact CG1-CE2 4.02Å; V20-F58 HydrophobicContact CG1-CZ 4.09Å |
| 21 | E | 96.9 | Very high | 94.5 | Very high | 81 Ų | 81 | 60.6 Ų | 60.6 | 38% | 0.379 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | -179.5 | -170.3 | 169 | -152.5 | 0 | 0 | 112.2 | V17 Q18 L23 L24 T25 I57 | V17-E21 PolarHBondContact O-N 3.21Å; Q18-E21 PolarHBondContact O-N 3.25Å; E21-L23 VanDerWaalsContact C-N 3.33Å; E21-L23 PolarHBondContact O-N 3.43Å; E21-L24 PolarHBondContact O-N 3.37Å; E21-T25 HydrophobicContact CG-CG2 4.35Å; E21-T25 WeakPolarHBondContact O-CB 3.46Å; E21-T25 WeakPolarHBondContact O-CG2 3.4Å; E21-T25 PolarHBondContact O-N 2.86Å; E21-T25 PolarHBondContact O-OG1 3.17Å; E21-I57 HydrophobicContact CB-CD1 4.33Å; E21-I57 HydrophobicContact CB-CG2 4.35Å |
| 22 | Q | 95.5 | Very high | 94.5 | Very high | 107 Ų | 107 | 61.6 Ų | 61.6 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63 | -37.8 | 176.5 | -73.7 | -179.9 | 4.1 | 0 | 0 | 112.6 | Q18 V20 T25 N26 | Q18-Q22 WeakPolarHBondContact O-CB 3.23Å; Q18-Q22 WeakPolarHBondContact O-CG 3.34Å; Q18-Q22 PolarHBondContact O-N 2.96Å; V20-Q22 PolarHBondContact O-N 3.24Å; Q22-T25 WeakPolarHBondContact CA-OG1 3.25Å; Q22-T25 PolarHBondContact O-OG1 2.99Å; Q22-N26 VanDerWaalsContact O-CB 3.28Å; Q22-N26 WeakPolarHBondContact O-CB 3.35Å; Q22-N26 PolarHBondContact O-N 3.25Å |
| 23 | L | 95.3 | Very high | 94.4 | Very high | 17 Ų | 17 | 62.4 Ų | 62.4 | 9% | 0.089 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70 | -37.6 | 178.7 | -74.3 | 166.5 | 0 | 0 | 0 | 112.3 | A7 M8 G19 V20 E21 H27 H28 V29 | A7-L23 HydrophobicContact CB-CD1 4Å; A7-L23 HydrophobicContact CB-CD2 4.14Å; M8-L23 HydrophobicContact CB-CD1 4.08Å; M8-L23 HydrophobicContact CE-CB 3.38Å; M8-L23 HydrophobicContact CE-CD1 4.32Å; M8-L23 HydrophobicContact CE-CG 4.5Å; M8-L23 HydrophobicContact SD-CB 4.21Å; M8-L23 HydrophobicContact SD-CD1 4.17Å; G19-L23 WeakPolarHBondContact O-CB 3.38Å; G19-L23 WeakPolarHBondContact O-CD1 3.48Å; G19-L23 VanDerWaalsContact O-CG 3.23Å; G19-L23 WeakPolarHBondContact O-CG 3.28Å; G19-L23 PolarHBondContact O-N 3.45Å; V20-L23 PolarHBondContact O-N 2.92Å; E21-L23 VanDerWaalsContact C-N 3.33Å; E21-L23 PolarHBondContact O-N 3.43Å; L23-H27 HydrophobicContact CD2-CB 4.27Å; L23-H27 CarbonylContact O-C 3.53Å; L23-H27 WeakPolarHBondContact O-CB 3.15Å; L23-H27 PolarHBondContact O-N 3.02Å; L23-H28 PolarHBondContact O-N 3.06Å; L23-V29 HydrophobicContact CB-CG2 4.13Å; L23-V29 HydrophobicContact CD2-CG2 4.46Å; L23-V29 WeakPolarHBondContact O-CG2 3.39Å; L23-V29 PolarHBondContact O-N 3.11Å |
| 24 | L | 94.5 | Very high | 94.3 | Very high | 9 Ų | 9 | 64.8 Ų | 64.8 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.5 | -43.8 | 174.7 | -68.5 | 169.1 | 0 | 0 | 0 | 111.9 | M8 V20 E21 V29 P31 I57 F58 H61 | M8-L24 HydrophobicContact CE-CD2 3.72Å; M8-L24 HydrophobicContact CE-CG 3.65Å; V20-L24 HydrophobicContact CG1-CD1 3.93Å; V20-L24 WeakPolarHBondContact O-CG 3.34Å; V20-L24 PolarHBondContact O-N 3Å; E21-L24 PolarHBondContact O-N 3.37Å; L24-V29 WeakPolarHBondContact CD2-O 3.2Å; L24-P31 HydrophobicContact CD2-CB 4.11Å; L24-I57 HydrophobicContact CD1-CG2 3.69Å; L24-F58 HydrophobicContact CD1-CD1 4.14Å; L24-F58 HydrophobicContact CD1-CE1 4.2Å; L24-F58 HydrophobicContact CD2-CD1 4.4Å; L24-F58 HydrophobicContact CD2-CE1 4.1Å; L24-H61 HydrophobicContact CB-CB 4.38Å; L24-H61 HydrophobicContact CD1-CB 4.05Å |
| 25 | T | 94.1 | Very high | 94 | Very high | 56 Ų | 56 | 58.7 Ų | 58.7 | 34% | 0.344 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -76.4 | -52.2 | -175.8 | 50.9 | 0 | 0 | 0 | 0 | 113.4 | E21 Q22 H28 H61 | E21-T25 HydrophobicContact CG-CG2 4.35Å; E21-T25 WeakPolarHBondContact O-CB 3.46Å; E21-T25 WeakPolarHBondContact O-CG2 3.4Å; E21-T25 PolarHBondContact O-N 2.86Å; E21-T25 PolarHBondContact O-OG1 3.17Å; Q22-T25 WeakPolarHBondContact CA-OG1 3.25Å; Q22-T25 PolarHBondContact O-OG1 2.99Å; T25-H28 PolarHBondContact O-CE1 3.2Å; T25-H61 WeakPolarHBondContact CG2-NE2 3.27Å |
| 26 | N | 93.1 | Very high | 93 | Very high | 110 Ų | 110 | 62.4 Ų | 62.4 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -31.5 | -168.5 | -59.4 | -33.5 | 0 | 0 | 0 | 113.2 | Q22 | Q22-N26 VanDerWaalsContact O-CB 3.28Å; Q22-N26 WeakPolarHBondContact O-CB 3.35Å; Q22-N26 PolarHBondContact O-N 3.25Å |
| 27 | H | 89.4 | Confident | 92 | Very high | 124 Ų | 124 | 63.8 Ų | 63.8 | 57% | 0.574 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -99.6 | -0.4 | -179.1 | -66.8 | -76.1 | 0 | 0 | 0 | 113.3 | L23 V29 | L23-H27 HydrophobicContact CD2-CB 4.27Å; L23-H27 CarbonylContact O-C 3.53Å; L23-H27 WeakPolarHBondContact O-CB 3.15Å; L23-H27 PolarHBondContact O-N 3.02Å; H27-V29 HydrophobicContact CB-CG2 4.19Å; H27-V29 PolarHBondContact O-N 3.38Å; H27-V29 VanDerWaalsContact O-N 3.15Å |
| 28 | H | 88.7 | Confident | 91.1 | Very high | 159 Ų | 159 | 67 Ų | 67 | 74% | 0.736 | 33% | 0.33 | S | S | * | . | trans | 48.7 | 40 | -179.6 | -55.8 | -55.3 | 0 | 0 | 0 | 112.5 | L23 T25 D30 | L23-H28 PolarHBondContact O-N 3.06Å; T25-H28 PolarHBondContact O-CE1 3.2Å; H28-D30 PolarHBondContact O-N 3.44Å | ||
| 29 | V | 92.1 | Very high | 90.8 | Very high | 12 Ų | 12 | 62.4 Ų | 62.4 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | trans | -63.4 | 134.6 | 172.7 | 177.4 | 0 | 0 | 0 | 0 | 108.1 | A4 M8 L23 L24 H27 P31 L33 | A4-V29 HydrophobicContact CB-CG2 3.79Å; M8-V29 HydrophobicContact CB-CG1 4.37Å; M8-V29 HydrophobicContact CE-CB 3.75Å; M8-V29 HydrophobicContact CE-CG1 3.67Å; M8-V29 HydrophobicContact CE-CG2 4.24Å; M8-V29 HydrophobicContact CG-CG1 4.4Å; L23-V29 HydrophobicContact CB-CG2 4.13Å; L23-V29 HydrophobicContact CD2-CG2 4.46Å; L23-V29 WeakPolarHBondContact O-CG2 3.39Å; L23-V29 PolarHBondContact O-N 3.11Å; L24-V29 WeakPolarHBondContact CD2-O 3.2Å; H27-V29 HydrophobicContact CB-CG2 4.19Å; H27-V29 PolarHBondContact O-N 3.38Å; H27-V29 VanDerWaalsContact O-N 3.15Å; V29-P31 WeakPolarHBondContact O-CD 3.46Å; V29-L33 HydrophobicContact CG1-CD2 4.24Å | ||
| 30 | D | 93.6 | Very high | 90.7 | Very high | 95 Ų | 95 | 63 Ų | 63 | 51% | 0.508 | 31% | 0.314 | S | S | . | . | trans | -59.7 | 119.9 | 177.7 | -176 | -0.7 | 0 | 0 | 0 | 110.1 | H28 D32 L33 | H28-D30 PolarHBondContact O-N 3.44Å; D30-D32 PolarHBondContact O-N 2.82Å; D30-D32 WeakPolarHBondContact OD1-CB 3.23Å; D30-D32 PolarHBondContact OD1-N 3.2Å; D30-L33 VanDerWaalsContact O-CB 3.28Å; D30-L33 WeakPolarHBondContact O-CB 3.41Å; D30-L33 PolarHBondContact O-N 3.3Å; D30-L33 VanDerWaalsContact O-N 3.13Å | ||
| 31 | P | 94.2 | Very high | 90.7 | Very high | 26 Ų | 26 | 63.2 Ų | 63.2 | 17% | 0.169 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.9 | 176.4 | 29.2 | -38.9 | 0 | 0 | 0 | 112.9 | L24 V29 L33 F58 H61 A63 | L24-P31 HydrophobicContact CD2-CB 4.11Å; V29-P31 WeakPolarHBondContact O-CD 3.46Å; P31-L33 VanDerWaalsContact C-N 3.29Å; P31-F58 HydrophobicContact CB-CD1 4.37Å; P31-H61 HydrophobicContact CB-CB 4.4Å; P31-H61 WeakPolarHBondContact CG-O 3.41Å; P31-A63 HydrophobicContact CB-CB 4.08Å |
| 32 | D | 95 | Very high | 90.6 | Very high | 36 Ų | 36 | 59.3 Ų | 59.3 | 19% | 0.193 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 16.5 | 176.8 | -84 | -17.7 | 0 | 0 | 0 | 113.4 | D30 S64 Q67 | D30-D32 PolarHBondContact O-N 2.82Å; D30-D32 WeakPolarHBondContact OD1-CB 3.23Å; D30-D32 PolarHBondContact OD1-N 3.2Å; D32-S64 WeakPolarHBondContact OD1-CB 3.4Å; D32-S64 PolarHBondContact OD1-N 2.93Å; D32-S64 VanDerWaalsContact OD2-CB 3.24Å; D32-S64 WeakPolarHBondContact OD2-CB 3.26Å; D32-S64 PolarHBondContact OD2-OG 3.2Å; D32-Q67 PolarHBondContact OD1-NE2 3.45Å; D32-Q67 PolarHBondContact OD2-NE2 3.06Å |
| 33 | L | 93.3 | Very high | 90.7 | Very high | 18 Ų | 18 | 54.4 Ų | 54.4 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | trans | -52.5 | 142.9 | 175 | -177.3 | 65.4 | 0 | 0 | 0 | 111.6 | E5 M8 V29 D30 P31 Y35 A42 | E5-L33 HydrophobicContact CB-CD1 4.18Å; E5-L33 HydrophobicContact CB-CD2 3.82Å; E5-L33 HydrophobicContact CG-CD1 3.7Å; E5-L33 HydrophobicContact CG-CD2 3.94Å; M8-L33 HydrophobicContact CB-CD2 4.32Å; M8-L33 HydrophobicContact CG-CD2 4.34Å; V29-L33 HydrophobicContact CG1-CD2 4.24Å; D30-L33 VanDerWaalsContact O-CB 3.28Å; D30-L33 WeakPolarHBondContact O-CB 3.41Å; D30-L33 PolarHBondContact O-N 3.3Å; D30-L33 VanDerWaalsContact O-N 3.13Å; P31-L33 VanDerWaalsContact C-N 3.29Å; L33-Y35 HydrophobicContact CD2-CE1 3.54Å; L33-Y35 HydrophobicContact CG-CE1 4.01Å; L33-A42 WeakPolarHBondContact O-CB 3.45Å; L33-A42 PolarHBondContact O-N 2.95Å | ||
| 34 | R | 92.4 | Very high | 90.7 | Very high | 87 Ų | 87 | 53.7 Ų | 53.7 | 33% | 0.328 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 143.6 | 179.8 | -69.6 | 169.6 | 173.9 | -108.3 | 11.8 | 111.2 | S39 I40 Q67 T68 | R34-S39 WeakPolarHBondContact CD-OG 3.37Å; R34-S39 PolarHBondContact NH1-O 3.42Å; R34-I40 CarbonylContact C-O 3.52Å; R34-I40 VanDerWaalsContact CA-O 3.25Å; R34-I40 WeakPolarHBondContact CA-O 3.31Å; R34-Q67 VanDerWaalsContact NE-OE1 3.15Å; R34-Q67 VanDerWaalsContact NH2-OE1 3.11Å; R34-T68 PolarHBondContact NH1-O 2.99Å |
| 35 | Y | 87.2 | Confident | 90.7 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 154.2 | -178.1 | -58.3 | -57.5 | 0 | 0 | 0 | 113.1 | M8 Y9 I12 L33 S39 I40 A42 F45 | M8-Y35 WeakPolarHBondContact CG-OH 3.45Å; Y9-Y35 AromaticContact CD2-CD1 3.78Å; Y9-Y35 HydrophobicContact CD2-CD1 3.78Å; Y9-Y35 HydrophobicContact CD2-CD2 4.3Å; Y9-Y35 AromaticContact CD2-CE1 4Å; Y9-Y35 HydrophobicContact CD2-CE1 4Å; Y9-Y35 HydrophobicContact CD2-CE2 4.46Å; Y9-Y35 AromaticContact CD2-CG 3.96Å; Y9-Y35 HydrophobicContact CD2-CG 3.96Å; Y9-Y35 HydrophobicContact CG-CD1 4.31Å; Y9-Y35 HydrophobicContact CG-CE1 4.26Å; I12-Y35 HydrophobicContact CD1-CE2 3.64Å; I12-Y35 WeakPolarHBondContact CD1-OH 3.18Å; L33-Y35 HydrophobicContact CD2-CE1 3.54Å; L33-Y35 HydrophobicContact CG-CE1 4.01Å; Y35-S39 WeakPolarHBondContact O-CA 3.31Å; Y35-S39 PolarHBondContact O-N 3.06Å; Y35-I40 PolarHBondContact N-O 3.49Å; Y35-I40 PolarHBondContact O-N 3.33Å; Y35-A42 HydrophobicContact CD2-CB 4.3Å; Y35-A42 HydrophobicContact CE2-CB 3.47Å; Y35-A42 VanDerWaalsContact CE2-CB 3.47Å; Y35-F45 HydrophobicContact CD2-CB 4.18Å; Y35-F45 AromaticContact CD2-CD1 3.99Å; Y35-F45 HydrophobicContact CD2-CD1 3.99Å; Y35-F45 HydrophobicContact CD2-CG 4.23Å; Y35-F45 HydrophobicContact CE2-CD1 4.11Å |
| 36 | Y | 75.1 | Confident | 90.8 | Very high | 107 Ų | 107 | 51.5 Ų | 51.5 | 42% | 0.42 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 179.4 | 171.2 | -47.2 | -75.4 | 0 | 0 | 0 | 115.8 | Y9 Y38 S39 I40 F45 | Y9-Y36 AromaticContact CE2-CE1 3.83Å; Y9-Y36 HydrophobicContact CE2-CE1 3.83Å; Y9-Y36 HydrophobicContact CE2-CE2 4.01Å; Y9-Y36 AromaticContact CE2-CZ 3.35Å; Y9-Y36 WeakPolarHBondContact CE2-OH 3.48Å; Y9-Y36 AromaticContact CZ-CE1 3.82Å; Y9-Y36 AromaticContact CZ-CZ 3.69Å; Y9-Y36 VanDerWaalsContact CZ-OH 3.23Å; Y9-Y36 WeakPolarHBondContact OH-CE1 3.38Å; Y9-Y36 PolarHBondContact OH-OH 3.31Å; Y36-Y38 PolarHBondContact O-N 3.23Å; Y36-S39 PolarHBondContact O-N 3.31Å; Y36-I40 HydrophobicContact CD2-CD1 4.21Å; Y36-F45 HydrophobicContact CE2-CD2 4.14Å; Y36-F45 AromaticContact CE2-CE2 3.84Å; Y36-F45 HydrophobicContact CE2-CE2 3.84Å; Y36-F45 HydrophobicContact CE2-CZ 4.25Å; Y36-F45 WeakPolarHBondContact OH-CE2 3.45Å; Y36-F45 WeakPolarHBondContact OH-CZ 3.38Å |
| 37 | S | 76.5 | Confident | 90.9 | Very high | 99 Ų | 99 | 46.3 Ų | 46.3 | 69% | 0.692 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -26.7 | 172.6 | 48.9 | 0 | 0 | 0 | 0 | 113.1 | S39 | S37-S39 VanDerWaalsContact C-N 3.34Š|
| 38 | Y | 78.1 | Confident | 91.1 | Very high | 116 Ų | 116 | 45.2 Ų | 45.2 | 46% | 0.455 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 7.7 | -177.8 | -48.3 | -51.9 | 0 | 0 | 0 | 114 | Y36 I40 C70 E71 | Y36-Y38 PolarHBondContact O-N 3.23Å; Y38-I40 VanDerWaalsContact C-N 3.26Å; Y38-I40 PolarHBondContact O-N 3.29Å; Y38-I40 VanDerWaalsContact O-N 3.15Å; Y38-C70 PolarHBondContact O-N 3.35Å; Y38-C70 PolarHBondContact O-SG 3.48Å; Y38-E71 HydrophobicContact CD1-CB 4.18Å; Y38-E71 HydrophobicContact CD1-CG 4.28Å; Y38-E71 VanDerWaalsContact CD1-OE2 3.27Å; Y38-E71 WeakPolarHBondContact CD1-OE2 3.42Å; Y38-E71 WeakPolarHBondContact CE1-OE2 3.36Å; Y38-E71 HydrophobicContact CG-CB 4.4Å |
| 39 | S | 90.2 | Very high | 91.4 | Very high | 41 Ų | 41 | 42.9 Ų | 42.9 | 29% | 0.287 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 45.1 | 169.2 | -173.2 | 0 | 0 | 0 | 0 | 112.9 | R34 Y35 Y36 S37 | R34-S39 WeakPolarHBondContact CD-OG 3.37Å; R34-S39 PolarHBondContact NH1-O 3.42Å; Y35-S39 WeakPolarHBondContact O-CA 3.31Å; Y35-S39 PolarHBondContact O-N 3.06Å; Y36-S39 PolarHBondContact O-N 3.31Å; S37-S39 VanDerWaalsContact C-N 3.34Å |
| 40 | I | 93.4 | Very high | 91.7 | Very high | 22 Ų | 22 | 47.8 Ų | 47.8 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 122.5 | -175.3 | -55.6 | 176.5 | 0 | 0 | 0 | 109 | R34 Y35 Y36 Y38 N44 F45 D69 | R34-I40 CarbonylContact C-O 3.52Å; R34-I40 VanDerWaalsContact CA-O 3.25Å; R34-I40 WeakPolarHBondContact CA-O 3.31Å; Y35-I40 PolarHBondContact N-O 3.49Å; Y35-I40 PolarHBondContact O-N 3.33Å; Y36-I40 HydrophobicContact CD2-CD1 4.21Å; Y38-I40 VanDerWaalsContact C-N 3.26Å; Y38-I40 PolarHBondContact O-N 3.29Å; Y38-I40 VanDerWaalsContact O-N 3.15Å; I40-N44 HydrophobicContact CG2-CB 4.13Å; I40-F45 HydrophobicContact CG2-CB 4.25Å; I40-D69 HydrophobicContact CB-CB 4.43Å; I40-D69 HydrophobicContact CG1-CB 4.04Å |
| 41 | P | 95.5 | Very high | 91.8 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 141 | 174.5 | -23.4 | 33.4 | 0 | 0 | 0 | 112.4 | L43 N44 F45 Q67 | P41-L43 VanDerWaalsContact C-N 3.27Å; P41-L43 PolarHBondContact O-N 3.23Å; P41-N44 HydrophobicContact CB-CB 4.32Å; P41-N44 WeakPolarHBondContact O-CB 3.46Å; P41-N44 PolarHBondContact O-N 3.42Å; P41-F45 PolarHBondContact O-N 3.46Å; P41-Q67 HydrophobicContact CB-CB 4.09Å; P41-Q67 HydrophobicContact CG-CB 3.55Å |
| 42 | A | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.1 | -39.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I12 L33 Y35 N44 F45 A46 F58 | I12-A42 HydrophobicContact CD1-CB 4.17Å; L33-A42 WeakPolarHBondContact O-CB 3.45Å; L33-A42 PolarHBondContact O-N 2.95Å; Y35-A42 HydrophobicContact CD2-CB 4.3Å; Y35-A42 HydrophobicContact CE2-CB 3.47Å; Y35-A42 VanDerWaalsContact CE2-CB 3.47Å; A42-N44 PolarHBondContact O-N 3.42Å; A42-F45 PolarHBondContact O-N 3.44Å; A42-A46 PolarHBondContact O-N 3.37Å; A42-F58 HydrophobicContact CB-CD1 4.49Å; A42-F58 HydrophobicContact CB-CE1 3.81Å; A42-F58 HydrophobicContact CB-CE2 4.27Å; A42-F58 HydrophobicContact CB-CZ 3.7Å |
| 43 | L | 96.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.6 | -48 | 171.7 | 174.8 | 60.9 | 0 | 0 | 0 | 112.1 | P41 F45 A46 I47 A55 F58 L59 A63 A76 L92 | P41-L43 VanDerWaalsContact C-N 3.27Å; P41-L43 PolarHBondContact O-N 3.23Å; L43-F45 VanDerWaalsContact C-N 3.3Å; L43-F45 PolarHBondContact O-N 2.98Å; L43-A46 PolarHBondContact O-N 2.99Å; L43-I47 HydrophobicContact CD1-CD1 3.85Å; L43-I47 HydrophobicContact CD1-CG1 4.42Å; L43-I47 HydrophobicContact CG-CD1 4.02Å; L43-I47 WeakPolarHBondContact O-CG1 3.41Å; L43-I47 PolarHBondContact O-N 2.83Å; L43-A55 HydrophobicContact CD1-CB 3.82Å; L43-F58 HydrophobicContact CB-CB 4.41Å; L43-F58 HydrophobicContact CD1-CB 4.13Å; L43-L59 HydrophobicContact CD1-CD1 4.47Å; L43-L59 HydrophobicContact CD1-CD2 4.5Å; L43-L59 HydrophobicContact CD1-CG 4.14Å; L43-L59 HydrophobicContact CD2-CD2 3.72Å; L43-L59 HydrophobicContact CD2-CG 4.26Å; L43-A63 HydrophobicContact CB-CB 4.48Å; L43-A63 HydrophobicContact CD2-CB 4.37Å; L43-A76 HydrophobicContact CD2-CB 4.04Å; L43-A76 HydrophobicContact CG-CB 4.16Å; L43-L92 HydrophobicContact CD2-CD2 4.49Å |
| 44 | N | 95.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 179.8 | -61.3 | 20.5 | 0 | 0 | 0 | 110.3 | I40 P41 A42 I47 M48 Q67 K74 A76 | I40-N44 HydrophobicContact CG2-CB 4.13Å; P41-N44 HydrophobicContact CB-CB 4.32Å; P41-N44 WeakPolarHBondContact O-CB 3.46Å; P41-N44 PolarHBondContact O-N 3.42Å; A42-N44 PolarHBondContact O-N 3.42Å; N44-I47 PolarHBondContact O-N 2.92Å; N44-M48 VanDerWaalsContact O-CG 3.26Å; N44-M48 WeakPolarHBondContact O-CG 3.35Å; N44-M48 PolarHBondContact O-N 3.26Å; N44-Q67 PolarHBondContact ND2-O 3.25Å; N44-K74 PolarHBondContact ND2-O 3.26Å; N44-A76 PolarHBondContact ND2-N 3.22Å; N44-A76 WeakPolarHBondContact OD1-CA 3.5Å; N44-A76 WeakPolarHBondContact OD1-CB 3.28Å; N44-A76 PolarHBondContact OD1-N 3.48Å |
| 45 | F | 94.7 | Very high | 92.2 | Very high | 20 Ų | 20 | 44 Ų | 44 | 9% | 0.088 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.4 | -45.2 | 177.1 | -175.4 | -118 | 0 | 0 | 0 | 112.2 | Y9 I12 V13 Y35 Y36 I40 P41 A42 L43 I47 M48 R49 | Y9-F45 HydrophobicContact CD2-CE1 4.23Å; Y9-F45 AromaticContact CE2-CE1 3.89Å; Y9-F45 HydrophobicContact CE2-CE1 3.89Å; Y9-F45 AromaticContact CE2-CZ 3.95Å; Y9-F45 HydrophobicContact CE2-CZ 3.95Å; I12-F45 HydrophobicContact CB-CD1 4.36Å; I12-F45 HydrophobicContact CB-CE1 4.39Å; I12-F45 HydrophobicContact CG2-CD1 3.63Å; I12-F45 HydrophobicContact CG2-CE1 3.86Å; V13-F45 HydrophobicContact CG2-CE1 3.99Å; V13-F45 HydrophobicContact CG2-CZ 4.06Å; Y35-F45 HydrophobicContact CD2-CB 4.18Å; Y35-F45 AromaticContact CD2-CD1 3.99Å; Y35-F45 HydrophobicContact CD2-CD1 3.99Å; Y35-F45 HydrophobicContact CD2-CG 4.23Å; Y35-F45 HydrophobicContact CE2-CD1 4.11Å; Y36-F45 HydrophobicContact CE2-CD2 4.14Å; Y36-F45 AromaticContact CE2-CE2 3.84Å; Y36-F45 HydrophobicContact CE2-CE2 3.84Å; Y36-F45 HydrophobicContact CE2-CZ 4.25Å; Y36-F45 WeakPolarHBondContact OH-CE2 3.45Å; Y36-F45 WeakPolarHBondContact OH-CZ 3.38Å; I40-F45 HydrophobicContact CG2-CB 4.25Å; P41-F45 PolarHBondContact O-N 3.46Å; A42-F45 PolarHBondContact O-N 3.44Å; L43-F45 VanDerWaalsContact C-N 3.3Å; L43-F45 PolarHBondContact O-N 2.98Å; F45-I47 VanDerWaalsContact C-N 3.32Å; F45-I47 PolarHBondContact O-N 2.69Å; F45-M48 PolarHBondContact O-N 3.08Å; F45-R49 HydrophobicContact CE2-CG 4.45Å; F45-R49 HydrophobicContact CZ-CG 4.47Å; F45-R49 WeakPolarHBondContact O-CG 3.28Å; F45-R49 PolarHBondContact O-N 3.42Å; F45-R49 VanDerWaalsContact O-N 3.12Å |
| 46 | A | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.5 | -41.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | I12 A42 L43 R49 E50 Q51 I54 | I12-A46 HydrophobicContact CG2-CB 4.25Å; A42-A46 PolarHBondContact O-N 3.37Å; L43-A46 PolarHBondContact O-N 2.99Å; A46-R49 CarbonylContact O-C 3.54Å; A46-R49 PolarHBondContact O-N 3.25Å; A46-E50 PolarHBondContact O-N 3.49Å; A46-Q51 PolarHBondContact O-N 2.92Å; A46-I54 HydrophobicContact CB-CB 4.33Å; A46-I54 HydrophobicContact CB-CG2 3.68Å |
| 47 | I | 96.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.5 | -42.4 | 177.4 | -69.3 | 162.8 | 0 | 0 | 0 | 112 | L43 N44 F45 R49 E50 A55 A76 C79 A80 T88 L92 | L43-I47 HydrophobicContact CD1-CD1 3.85Å; L43-I47 HydrophobicContact CD1-CG1 4.42Å; L43-I47 HydrophobicContact CG-CD1 4.02Å; L43-I47 WeakPolarHBondContact O-CG1 3.41Å; L43-I47 PolarHBondContact O-N 2.83Å; N44-I47 PolarHBondContact O-N 2.92Å; F45-I47 VanDerWaalsContact C-N 3.32Å; F45-I47 PolarHBondContact O-N 2.69Å; I47-R49 PolarHBondContact O-N 3Å; I47-E50 PolarHBondContact O-N 2.89Å; I47-A55 HydrophobicContact CD1-CB 4.39Å; I47-A55 HydrophobicContact CG1-CB 3.77Å; I47-A76 HydrophobicContact CD1-CB 3.62Å; I47-C79 HydrophobicContact CB-CB 4.35Å; I47-C79 HydrophobicContact CG2-CB 3.71Å; I47-A80 HydrophobicContact CG2-CB 3.89Å; I47-T88 HydrophobicContact CD1-CG2 4.36Å; I47-T88 HydrophobicContact CG1-CG2 4.07Å; I47-T88 HydrophobicContact CG2-CG2 4.27Å; I47-L92 HydrophobicContact CD1-CD1 3.9Å; I47-L92 HydrophobicContact CD1-CD2 4.09Å; I47-L92 HydrophobicContact CD1-CG 4.47Å |
| 48 | M | 94.1 | Very high | 94.7 | Very high | 100 Ų | 100 | 39.2 Ų | 39.2 | 49% | 0.493 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.7 | -26.3 | 175.5 | -73.5 | 171.8 | 63 | 0 | 0 | 112.4 | N44 F45 E50 C79 | N44-M48 VanDerWaalsContact O-CG 3.26Å; N44-M48 WeakPolarHBondContact O-CG 3.35Å; N44-M48 PolarHBondContact O-N 3.26Å; F45-M48 PolarHBondContact O-N 3.08Å; M48-E50 VanDerWaalsContact C-N 3.33Å; M48-C79 HydrophobicContact CG-CB 3.87Å |
| 49 | R | 94.9 | Very high | 95.5 | Very high | 110 Ų | 110 | 34.5 Ų | 34.5 | 42% | 0.415 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 6.4 | 174.3 | -68 | -156.9 | 64.1 | 158.9 | -11.1 | 114.1 | V13 F45 A46 I47 Q51 | V13-R49 PolarHBondContact O-NH1 3.2Å; V13-R49 PolarHBondContact O-NH2 3.15Å; F45-R49 HydrophobicContact CE2-CG 4.45Å; F45-R49 HydrophobicContact CZ-CG 4.47Å; F45-R49 WeakPolarHBondContact O-CG 3.28Å; F45-R49 PolarHBondContact O-N 3.42Å; F45-R49 VanDerWaalsContact O-N 3.12Å; A46-R49 CarbonylContact O-C 3.54Å; A46-R49 PolarHBondContact O-N 3.25Å; I47-R49 PolarHBondContact O-N 3Å; R49-Q51 HydrophobicContact CB-CG 4.12Å; R49-Q51 PolarHBondContact O-N 3.5Å |
| 50 | E | 96.6 | Very high | 95.8 | Very high | 115 Ų | 115 | 38.1 Ų | 38.1 | 54% | 0.537 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 29.8 | -179.3 | -57.7 | -178.7 | -127.1 | 0 | 0 | 113.5 | A46 I47 M48 H52 T83 | A46-E50 PolarHBondContact O-N 3.49Å; I47-E50 PolarHBondContact O-N 2.89Å; M48-E50 VanDerWaalsContact C-N 3.33Å; E50-H52 PolarHBondContact O-CE1 3.38Å; E50-H52 PolarHBondContact O-N 2.98Å; E50-H52 PolarHBondContact O-NE2 3.22Å; E50-T83 HydrophobicContact CG-CG2 3.89Å |
| 51 | Q | 95.8 | Very high | 96 | Very high | 29 Ų | 29 | 39.7 Ų | 39.7 | 14% | 0.136 | 18% | 0.181 | C | C | . | . | trans | -95.1 | 76.4 | -179.6 | -66 | 170.6 | -14.9 | 0 | 0 | 111.1 | I12 G15 A46 R49 E53 I54 A55 | I12-Q51 VanDerWaalsContact CG2-OE1 3.28Å; I12-Q51 PolarHBondContact O-NE2 3.22Å; I12-Q51 PolarHBondContact O-OE1 3.42Å; G15-Q51 VanDerWaalsContact CA-NE2 3.32Å; A46-Q51 PolarHBondContact O-N 2.92Å; R49-Q51 HydrophobicContact CB-CG 4.12Å; R49-Q51 PolarHBondContact O-N 3.5Å; Q51-E53 VanDerWaalsContact C-N 3.31Å; Q51-E53 PolarHBondContact O-N 3.01Å; Q51-I54 HydrophobicContact CB-CB 4.04Å; Q51-I54 HydrophobicContact CB-CD1 4.15Å; Q51-I54 HydrophobicContact CB-CG1 4.35Å; Q51-I54 HydrophobicContact CG-CD1 4.4Å; Q51-I54 PolarHBondContact O-N 3.31Å; Q51-A55 PolarHBondContact O-N 2.92Å | ||
| 52 | H | 92.8 | Very high | 95.9 | Very high | 65 Ų | 65 | 42 Ų | 42 | 30% | 0.301 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60 | -38.3 | -172.4 | -48.6 | -49.3 | 0 | 0 | 0 | 113.6 | E50 A55 R56 N85 T88 | E50-H52 PolarHBondContact O-CE1 3.38Å; E50-H52 PolarHBondContact O-N 2.98Å; E50-H52 PolarHBondContact O-NE2 3.22Å; H52-A55 PolarHBondContact O-N 3.33Å; H52-R56 PolarHBondContact O-N 3.16Å; H52-N85 PolarHBondContact CE1-ND2 2.93Å; H52-N85 PolarHBondContact NE2-ND2 3.49Å; H52-T88 PolarHBondContact CE1-OG1 3.49Å; H52-T88 PolarHBondContact ND1-OG1 2.98Å |
| 53 | E | 95.7 | Very high | 96 | Very high | 86 Ų | 86 | 42.3 Ų | 42.3 | 40% | 0.402 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.8 | -38.9 | -178.6 | -171.9 | 62.2 | -177.2 | 0 | 0 | 111.9 | V17 Q51 R56 I57 | V17-E53 HydrophobicContact CG1-CG 3.75Å; V17-E53 HydrophobicContact CG2-CB 4.41Å; V17-E53 HydrophobicContact CG2-CG 4.31Å; Q51-E53 VanDerWaalsContact C-N 3.31Å; Q51-E53 PolarHBondContact O-N 3.01Å; E53-R56 WeakPolarHBondContact O-CB 3.49Å; E53-R56 PolarHBondContact O-N 2.92Å; E53-R56 IonicContact OE1-CZ 3.91Å; E53-R56 IonicContact OE1-NE 3.85Å; E53-R56 PolarHBondContact OE1-NE 2.91Å; E53-R56 IonicContact OE1-NH2 3.82Å; E53-R56 PolarHBondContact OE1-NH2 3.36Å; E53-R56 IonicContact OE2-CZ 3.34Å; E53-R56 IonicContact OE2-NE 3.25Å; E53-R56 PolarHBondContact OE2-NE 3.34Å; E53-R56 IonicContact OE2-NH2 2.64Å; E53-I57 WeakPolarHBondContact O-CG1 3.06Å; E53-I57 PolarHBondContact O-N 3.37Å |
| 54 | I | 97.5 | Very high | 96 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.6 | -42.8 | 173.8 | -68.6 | 178.9 | 0 | 0 | 0 | 110.1 | I12 V17 V20 A46 Q51 R56 I57 F58 | I12-I54 HydrophobicContact CG1-CG2 4.29Å; V17-I54 HydrophobicContact CG2-CD1 4.46Å; V17-I54 HydrophobicContact CG2-CG1 4.04Å; V20-I54 HydrophobicContact CG1-CG2 4.27Å; V20-I54 HydrophobicContact CG2-CD1 4.26Å; V20-I54 HydrophobicContact CG2-CG1 4.49Å; V20-I54 HydrophobicContact CG2-CG2 4.24Å; A46-I54 HydrophobicContact CB-CB 4.33Å; A46-I54 HydrophobicContact CB-CG2 3.68Å; Q51-I54 HydrophobicContact CB-CB 4.04Å; Q51-I54 HydrophobicContact CB-CD1 4.15Å; Q51-I54 HydrophobicContact CB-CG1 4.35Å; Q51-I54 HydrophobicContact CG-CD1 4.4Å; Q51-I54 PolarHBondContact O-N 3.31Å; I54-R56 VanDerWaalsContact C-N 3.32Å; I54-R56 PolarHBondContact O-N 3.38Å; I54-I57 PolarHBondContact O-N 3.09Å; I54-F58 HydrophobicContact CG2-CD2 3.8Å; I54-F58 HydrophobicContact CG2-CE2 3.59Å; I54-F58 VanDerWaalsContact O-CD2 3.28Å; I54-F58 WeakPolarHBondContact O-CD2 3.43Å; I54-F58 PolarHBondContact O-N 3.21Å |
| 55 | A | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.5 | -42.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | L43 I47 Q51 H52 I57 F58 L59 | L43-A55 HydrophobicContact CD1-CB 3.82Å; I47-A55 HydrophobicContact CD1-CB 4.39Å; I47-A55 HydrophobicContact CG1-CB 3.77Å; Q51-A55 PolarHBondContact O-N 2.92Å; H52-A55 PolarHBondContact O-N 3.33Å; A55-I57 VanDerWaalsContact C-N 3.34Å; A55-I57 PolarHBondContact O-N 2.63Å; A55-F58 PolarHBondContact O-N 3.48Å; A55-L59 WeakPolarHBondContact O-CG 3.26Å; A55-L59 PolarHBondContact O-N 3.47Å; A55-L59 VanDerWaalsContact O-N 3.11Å |
| 56 | R | 96.8 | Very high | 96.3 | Very high | 105 Ų | 105 | 47.8 Ų | 47.8 | 40% | 0.396 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.1 | -42.6 | 175 | -170 | -174 | 71.3 | 75.6 | 0.3 | 111.8 | H52 E53 I54 L59 L60 M91 | H52-R56 PolarHBondContact O-N 3.16Å; E53-R56 WeakPolarHBondContact O-CB 3.49Å; E53-R56 PolarHBondContact O-N 2.92Å; E53-R56 IonicContact OE1-CZ 3.91Å; E53-R56 IonicContact OE1-NE 3.85Å; E53-R56 PolarHBondContact OE1-NE 2.91Å; E53-R56 IonicContact OE1-NH2 3.82Å; E53-R56 PolarHBondContact OE1-NH2 3.36Å; E53-R56 IonicContact OE2-CZ 3.34Å; E53-R56 IonicContact OE2-NE 3.25Å; E53-R56 PolarHBondContact OE2-NE 3.34Å; E53-R56 IonicContact OE2-NH2 2.64Å; I54-R56 VanDerWaalsContact C-N 3.32Å; I54-R56 PolarHBondContact O-N 3.38Å; R56-L59 PolarHBondContact O-N 3.15Å; R56-L60 WeakPolarHBondContact O-CB 3.46Å; R56-L60 PolarHBondContact O-N 2.98Å; R56-M91 HydrophobicContact CB-CE 4.17Å; R56-M91 HydrophobicContact CB-SD 4.29Å |
| 57 | I | 97.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 177.6 | -71.3 | 167.2 | 0 | 0 | 0 | 111.3 | V17 V20 E21 L24 E53 I54 A55 L59 L60 H61 | V17-I57 HydrophobicContact CG1-CD1 3.36Å; V20-I57 HydrophobicContact CG1-CG2 4.19Å; E21-I57 HydrophobicContact CB-CD1 4.33Å; E21-I57 HydrophobicContact CB-CG2 4.35Å; L24-I57 HydrophobicContact CD1-CG2 3.69Å; E53-I57 WeakPolarHBondContact O-CG1 3.06Å; E53-I57 PolarHBondContact O-N 3.37Å; I54-I57 PolarHBondContact O-N 3.09Å; A55-I57 VanDerWaalsContact C-N 3.34Å; A55-I57 PolarHBondContact O-N 2.63Å; I57-L59 VanDerWaalsContact C-N 3.34Å; I57-L59 PolarHBondContact O-N 2.8Å; I57-L60 PolarHBondContact O-N 2.95Å; I57-H61 PolarHBondContact O-N 3.42Å; I57-H61 PolarHBondContact O-ND1 3.28Å |
| 58 | F | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.1 | -45.9 | 175.2 | -87 | -67.7 | 0 | 0 | 0 | 112 | M8 I12 V20 L24 P31 A42 L43 I54 A55 H61 G62 A63 | M8-F58 HydrophobicContact CG-CZ 4.38Å; M8-F58 HydrophobicContact SD-CZ 4.02Å; I12-F58 HydrophobicContact CD1-CE2 3.69Å; I12-F58 HydrophobicContact CD1-CZ 3.65Å; I12-F58 HydrophobicContact CG1-CE2 4.11Å; I12-F58 HydrophobicContact CG1-CZ 4.32Å; V20-F58 HydrophobicContact CG1-CE2 4.02Å; V20-F58 HydrophobicContact CG1-CZ 4.09Å; L24-F58 HydrophobicContact CD1-CD1 4.14Å; L24-F58 HydrophobicContact CD1-CE1 4.2Å; L24-F58 HydrophobicContact CD2-CD1 4.4Å; L24-F58 HydrophobicContact CD2-CE1 4.1Å; P31-F58 HydrophobicContact CB-CD1 4.37Å; A42-F58 HydrophobicContact CB-CD1 4.49Å; A42-F58 HydrophobicContact CB-CE1 3.81Å; A42-F58 HydrophobicContact CB-CE2 4.27Å; A42-F58 HydrophobicContact CB-CZ 3.7Å; L43-F58 HydrophobicContact CB-CB 4.41Å; L43-F58 HydrophobicContact CD1-CB 4.13Å; I54-F58 HydrophobicContact CG2-CD2 3.8Å; I54-F58 HydrophobicContact CG2-CE2 3.59Å; I54-F58 VanDerWaalsContact O-CD2 3.28Å; I54-F58 WeakPolarHBondContact O-CD2 3.43Å; I54-F58 PolarHBondContact O-N 3.21Å; A55-F58 PolarHBondContact O-N 3.48Å; F58-H61 CarbonylContact O-C 3.58Å; F58-H61 PolarHBondContact O-N 3.04Å; F58-G62 PolarHBondContact O-N 2.64Å; F58-A63 HydrophobicContact CB-CB 3.88Å; F58-A63 WeakPolarHBondContact O-CB 3.43Å; F58-A63 PolarHBondContact O-N 3.25Å |
| 59 | L | 96.7 | Very high | 96.2 | Very high | 17 Ų | 17 | 47.3 Ų | 47.3 | 9% | 0.089 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 178 | -68.3 | 164.5 | 0 | 0 | 0 | 111.9 | L43 A55 R56 I57 H61 G62 V65 M91 L92 E95 | L43-L59 HydrophobicContact CD1-CD1 4.47Å; L43-L59 HydrophobicContact CD1-CD2 4.5Å; L43-L59 HydrophobicContact CD1-CG 4.14Å; L43-L59 HydrophobicContact CD2-CD2 3.72Å; L43-L59 HydrophobicContact CD2-CG 4.26Å; A55-L59 WeakPolarHBondContact O-CG 3.26Å; A55-L59 PolarHBondContact O-N 3.47Å; A55-L59 VanDerWaalsContact O-N 3.11Å; R56-L59 PolarHBondContact O-N 3.15Å; I57-L59 VanDerWaalsContact C-N 3.34Å; I57-L59 PolarHBondContact O-N 2.8Å; L59-H61 PolarHBondContact O-N 3.47Å; L59-G62 PolarHBondContact O-N 3.2Å; L59-V65 HydrophobicContact CD2-CB 4.09Å; L59-V65 HydrophobicContact CD2-CG2 4.01Å; L59-M91 HydrophobicContact CD1-CG 4.15Å; L59-M91 HydrophobicContact CD1-SD 3.45Å; L59-M91 WeakPolarHBondContact CD1-SD 3.42Å; L59-L92 HydrophobicContact CD1-CD2 3.99Å; L59-L92 HydrophobicContact CD2-CD2 4.45Å; L59-E95 HydrophobicContact CB-CG 4.37Å; L59-E95 HydrophobicContact CD1-CG 4.12Å; L59-E95 HydrophobicContact CD2-CB 4.28Å; L59-E95 HydrophobicContact CD2-CG 4.32Å |
| 60 | L | 96 | Very high | 95.9 | Very high | 117 Ų | 117 | 45.8 Ų | 45.8 | 61% | 0.613 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -58.8 | -33.6 | 175.4 | -179.5 | 64 | 0 | 0 | 0 | 112.5 | R56 I57 G62 | R56-L60 WeakPolarHBondContact O-CB 3.46Å; R56-L60 PolarHBondContact O-N 2.98Å; I57-L60 PolarHBondContact O-N 2.95Å; L60-G62 VanDerWaalsContact C-N 3.29Å |
| 61 | H | 96.3 | Very high | 95.6 | Very high | 55 Ų | 55 | 44.2 Ų | 44.2 | 26% | 0.255 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 10.4 | 178 | -69.4 | 81.8 | 0 | 0 | 0 | 113.5 | L24 T25 P31 I57 F58 L59 | L24-H61 HydrophobicContact CB-CB 4.38Å; L24-H61 HydrophobicContact CD1-CB 4.05Å; T25-H61 WeakPolarHBondContact CG2-NE2 3.27Å; P31-H61 HydrophobicContact CB-CB 4.4Å; P31-H61 WeakPolarHBondContact CG-O 3.41Å; I57-H61 PolarHBondContact O-N 3.42Å; I57-H61 PolarHBondContact O-ND1 3.28Å; F58-H61 CarbonylContact O-C 3.58Å; F58-H61 PolarHBondContact O-N 3.04Å; L59-H61 PolarHBondContact O-N 3.47Å |
| 62 | G | 95.1 | Very high | 95.4 | Very high | 52 Ų | 52 | 45.6 Ų | 45.6 | 54% | 0.536 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | 20.5 | 172 | 0 | 0 | 0 | 0 | 0 | 115.2 | F58 L59 L60 S64 | F58-G62 PolarHBondContact O-N 2.64Å; L59-G62 PolarHBondContact O-N 3.2Å; L60-G62 VanDerWaalsContact C-N 3.29Å; G62-S64 PolarHBondContact O-N 2.75Å |
| 63 | A | 96.4 | Very high | 95.6 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 7% | 0.066 | 26% | 0.26 | C | S | . | . | trans | -57.5 | 130.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | P31 L43 F58 V65 | P31-A63 HydrophobicContact CB-CB 4.08Å; L43-A63 HydrophobicContact CB-CB 4.48Å; L43-A63 HydrophobicContact CD2-CB 4.37Å; F58-A63 HydrophobicContact CB-CB 3.88Å; F58-A63 WeakPolarHBondContact O-CB 3.43Å; F58-A63 PolarHBondContact O-N 3.25Å; A63-V65 PolarHBondContact O-N 3.36Å | ||
| 64 | S | 97.1 | Very high | 95.6 | Very high | 57 Ų | 57 | 48.3 Ų | 48.3 | 40% | 0.399 | 25% | 0.253 | S | S | . | . | trans | -67.8 | 102.9 | 179.1 | -69.7 | 0 | 0 | 0 | 0 | 110.9 | D32 G62 N66 Q67 | D32-S64 WeakPolarHBondContact OD1-CB 3.4Å; D32-S64 PolarHBondContact OD1-N 2.93Å; D32-S64 VanDerWaalsContact OD2-CB 3.24Å; D32-S64 WeakPolarHBondContact OD2-CB 3.26Å; D32-S64 PolarHBondContact OD2-OG 3.2Å; G62-S64 PolarHBondContact O-N 2.75Å; S64-N66 PolarHBondContact O-N 2.85Å; S64-Q67 PolarHBondContact O-N 2.91Å | ||
| 65 | V | 97.3 | Very high | 95.6 | Very high | 14 Ų | 14 | 48.1 Ų | 48.1 | 9% | 0.085 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -24.4 | -174.5 | 74.8 | 0 | 0 | 0 | 0 | 115.1 | L59 A63 L92 E95 A97 | L59-V65 HydrophobicContact CD2-CB 4.09Å; L59-V65 HydrophobicContact CD2-CG2 4.01Å; A63-V65 PolarHBondContact O-N 3.36Å; V65-L92 HydrophobicContact CG2-CB 4.43Å; V65-L92 HydrophobicContact CG2-CD2 3.64Å; V65-E95 WeakPolarHBondContact CG1-O 3.29Å; V65-E95 HydrophobicContact CG2-CB 4.41Å; V65-A97 HydrophobicContact CG1-CB 4.43Å; V65-A97 HydrophobicContact CG2-CB 3.71Å |
| 66 | N | 98.1 | Very high | 95.6 | Very high | 68 Ų | 68 | 48.1 Ų | 48.1 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 8.2 | -173.4 | -73.3 | -44.6 | 0 | 0 | 0 | 113.9 | S64 R96 N98 L101 | S64-N66 PolarHBondContact O-N 2.85Å; N66-R96 PolarHBondContact ND2-O 3.3Å; N66-N98 PolarHBondContact OD1-N 2.89Å; N66-L101 HydrophobicContact CB-CD1 4.04Å |
| 67 | Q | 96.3 | Very high | 95.7 | Very high | 34 Ų | 34 | 43.2 Ų | 43.2 | 16% | 0.159 | 23% | 0.234 | C | C | . | . | trans | -65.6 | 144.2 | 173.7 | -67.3 | -161.7 | 1.1 | 0 | 0 | 111.8 | D32 R34 P41 N44 S64 S75 | D32-Q67 PolarHBondContact OD1-NE2 3.45Å; D32-Q67 PolarHBondContact OD2-NE2 3.06Å; R34-Q67 VanDerWaalsContact NE-OE1 3.15Å; R34-Q67 VanDerWaalsContact NH2-OE1 3.11Å; P41-Q67 HydrophobicContact CB-CB 4.09Å; P41-Q67 HydrophobicContact CG-CB 3.55Å; N44-Q67 PolarHBondContact ND2-O 3.25Å; S64-Q67 PolarHBondContact O-N 2.91Å; Q67-S75 WeakPolarHBondContact O-CA 3.44Å | ||
| 68 | T | 95.9 | Very high | 95.7 | Very high | 44 Ų | 44 | 43.1 Ų | 43.1 | 27% | 0.27 | 23% | 0.234 | S | C | . | . | B | Isolated β-bridge | trans | -115 | 152.4 | 173.3 | 65.3 | 0 | 0 | 0 | 0 | 111 | R34 R73 K74 | R34-T68 PolarHBondContact NH1-O 2.99Å; T68-R73 WeakPolarHBondContact CG2-O 3.45Å; T68-K74 VanDerWaalsContact CA-O 3.31Å; T68-K74 WeakPolarHBondContact CA-O 3.07Å |
| 69 | D | 92.5 | Very high | 95.7 | Very high | 14 Ų | 14 | 43.4 Ų | 43.4 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | trans | -66.9 | 162.3 | 163.8 | 75.6 | 90.4 | 0 | 0 | 0 | 110.8 | I40 E71 Q72 R73 K74 | I40-D69 HydrophobicContact CB-CB 4.43Å; I40-D69 HydrophobicContact CG1-CB 4.04Å; D69-E71 PolarHBondContact OD1-N 2.98Å; D69-Q72 WeakPolarHBondContact OD1-CA 3.41Å; D69-Q72 PolarHBondContact OD1-N 3.13Å; D69-R73 VanDerWaalsContact O-CA 3.28Å; D69-R73 WeakPolarHBondContact O-CA 3.37Å; D69-R73 PolarHBondContact O-N 3.06Å; D69-R73 PolarHBondContact OD1-N 3.34Å; D69-R73 PolarHBondContact OD2-N 3.43Å; D69-K74 PolarHBondContact N-O 3.14Å; D69-K74 WeakPolarHBondContact OD2-CA 3.37Å; D69-K74 WeakPolarHBondContact OD2-CB 3.41Å; D69-K74 PolarHBondContact OD2-N 3.39Å | ||
| 70 | C | 89.1 | Confident | 95.8 | Very high | 77 Ų | 77 | 42.6 Ų | 42.6 | 52% | 0.52 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -86.5 | -18.5 | -175 | 72.8 | 0 | 0 | 0 | 0 | 114.2 | Y38 | Y38-C70 PolarHBondContact O-N 3.35Å; Y38-C70 PolarHBondContact O-SG 3.48Å |
| 71 | E | 90.4 | Very high | 95.9 | Very high | 82 Ų | 82 | 37 Ų | 37 | 38% | 0.383 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -89.4 | -58.9 | -173.5 | -167.7 | -158.1 | 143.7 | 0 | 0 | 110.8 | Y38 D69 | Y38-E71 HydrophobicContact CD1-CB 4.18Å; Y38-E71 HydrophobicContact CD1-CG 4.28Å; Y38-E71 VanDerWaalsContact CD1-OE2 3.27Å; Y38-E71 WeakPolarHBondContact CD1-OE2 3.42Å; Y38-E71 WeakPolarHBondContact CE1-OE2 3.36Å; Y38-E71 HydrophobicContact CG-CB 4.4Å; D69-E71 PolarHBondContact OD1-N 2.98Å |
| 72 | Q | 92.7 | Very high | 95.9 | Very high | 59 Ų | 59 | 36.7 Ų | 36.7 | 28% | 0.276 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -96.8 | -8.3 | -176.4 | -59.4 | -62.2 | -39 | 0 | 0 | 112.5 | D69 K74 D103 L104 | D69-Q72 WeakPolarHBondContact OD1-CA 3.41Å; D69-Q72 PolarHBondContact OD1-N 3.13Å; Q72-K74 HydrophobicContact CB-CD 4.12Å; Q72-K74 HydrophobicContact CB-CG 3.95Å; Q72-K74 PolarHBondContact O-N 3.01Å; Q72-K74 VanDerWaalsContact O-N 3.16Å; Q72-D103 WeakPolarHBondContact O-CB 3.36Å; Q72-L104 WeakPolarHBondContact O-CB 3.5Å; Q72-L104 PolarHBondContact O-N 2.93Å |
| 73 | R | 95.9 | Very high | 95.9 | Very high | 144 Ų | 144 | 35.8 Ų | 35.8 | 54% | 0.543 | 19% | 0.19 | S | C | . | . | trans | 54 | 29.5 | -176.5 | -57.2 | -177.5 | 179.3 | -179.2 | -0.5 | 113.5 | T68 D69 | T68-R73 WeakPolarHBondContact CG2-O 3.45Å; D69-R73 VanDerWaalsContact O-CA 3.28Å; D69-R73 WeakPolarHBondContact O-CA 3.37Å; D69-R73 PolarHBondContact O-N 3.06Å; D69-R73 PolarHBondContact OD1-N 3.34Å; D69-R73 PolarHBondContact OD2-N 3.43Å | ||
| 74 | K | 96.4 | Very high | 96 | Very high | 63 Ų | 63 | 41.8 Ų | 41.8 | 27% | 0.274 | 21% | 0.211 | S | C | . | . | trans | -80.9 | 127.9 | 178.1 | -70.3 | 179.9 | 178.6 | 177 | 0 | 110 | N44 T68 D69 Q72 H78 D103 | N44-K74 PolarHBondContact ND2-O 3.26Å; T68-K74 VanDerWaalsContact CA-O 3.31Å; T68-K74 WeakPolarHBondContact CA-O 3.07Å; D69-K74 PolarHBondContact N-O 3.14Å; D69-K74 WeakPolarHBondContact OD2-CA 3.37Å; D69-K74 WeakPolarHBondContact OD2-CB 3.41Å; D69-K74 PolarHBondContact OD2-N 3.39Å; Q72-K74 HydrophobicContact CB-CD 4.12Å; Q72-K74 HydrophobicContact CB-CG 3.95Å; Q72-K74 PolarHBondContact O-N 3.01Å; Q72-K74 VanDerWaalsContact O-N 3.16Å; K74-H78 HydrophobicContact CB-CB 3.87Å; K74-H78 HydrophobicContact CG-CB 4.06Å; K74-D103 HydrophobicContact CG-CB 4.16Å | ||
| 75 | S | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -79.5 | 167.9 | 168.5 | 69 | 0 | 0 | 0 | 0 | 111.9 | Q67 L77 H78 C79 | Q67-S75 WeakPolarHBondContact O-CA 3.44Å; S75-L77 PolarHBondContact O-N 2.84Å; S75-L77 VanDerWaalsContact O-N 3.14Å; S75-L77 PolarHBondContact OG-N 3.16Å; S75-H78 PolarHBondContact N-ND1 3.35Å; S75-H78 WeakPolarHBondContact O-CB 3.43Å; S75-H78 PolarHBondContact O-N 3.32Å; S75-H78 PolarHBondContact OG-N 3.29Å; S75-H78 PolarHBondContact OG-ND1 3.4Å; S75-C79 PolarHBondContact O-N 2.94Å; S75-C79 VanDerWaalsContact O-N 3.13Å |
| 76 | A | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -47.7 | -40.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L43 N44 I47 C79 A80 L92 | L43-A76 HydrophobicContact CD2-CB 4.04Å; L43-A76 HydrophobicContact CG-CB 4.16Å; N44-A76 PolarHBondContact ND2-N 3.22Å; N44-A76 WeakPolarHBondContact OD1-CA 3.5Å; N44-A76 WeakPolarHBondContact OD1-CB 3.28Å; N44-A76 PolarHBondContact OD1-N 3.48Å; I47-A76 HydrophobicContact CD1-CB 3.62Å; A76-C79 PolarHBondContact O-N 2.91Å; A76-A80 WeakPolarHBondContact O-CB 3.33Å; A76-A80 PolarHBondContact O-N 3.3Å; A76-L92 HydrophobicContact CB-CD1 4.06Å; A76-L92 HydrophobicContact CB-CD2 3.89Å |
| 77 | L | 98.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.3 | -37.4 | 179.1 | -170.6 | 59.4 | 0 | 0 | 0 | 112.7 | S75 A80 V81 V89 L92 L93 A97 P99 P109 L125 | S75-L77 PolarHBondContact O-N 2.84Å; S75-L77 VanDerWaalsContact O-N 3.14Å; S75-L77 PolarHBondContact OG-N 3.16Å; L77-A80 PolarHBondContact O-N 2.74Å; L77-V81 VanDerWaalsContact O-CG2 3.28Å; L77-V81 WeakPolarHBondContact O-CG2 3.39Å; L77-V81 PolarHBondContact O-N 2.98Å; L77-V89 HydrophobicContact CD1-CG1 4.05Å; L77-V89 HydrophobicContact CD1-CG2 4.47Å; L77-L92 HydrophobicContact CB-CD1 4.47Å; L77-L92 HydrophobicContact CD1-CB 4.26Å; L77-L92 HydrophobicContact CD1-CD1 4.32Å; L77-L93 HydrophobicContact CD1-CD2 4.26Å; L77-L93 HydrophobicContact CD1-CG 4.22Å; L77-L93 HydrophobicContact CD2-CD2 3.78Å; L77-A97 HydrophobicContact CB-CB 4.34Å; L77-A97 HydrophobicContact CD2-CB 4.08Å; L77-P99 HydrophobicContact CD2-CB 4.19Å; L77-P109 HydrophobicContact CB-CG 4.34Å; L77-P109 HydrophobicContact CD2-CB 4.23Å; L77-P109 HydrophobicContact CD2-CG 3.9Å; L77-P109 HydrophobicContact CG-CB 4.08Å; L77-P109 HydrophobicContact CG-CG 3.9Å; L77-L125 HydrophobicContact CD1-CD2 4.05Å; L77-L125 HydrophobicContact CD2-CD2 3.87Å; L77-L125 HydrophobicContact CG-CD2 4.12Å |
| 78 | H | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.3 | -42 | 172.8 | -69.3 | 86.5 | 0 | 0 | 0 | 111.8 | K74 S75 S82 L101 S107 P109 L112 | K74-H78 HydrophobicContact CB-CB 3.87Å; K74-H78 HydrophobicContact CG-CB 4.06Å; S75-H78 PolarHBondContact N-ND1 3.35Å; S75-H78 WeakPolarHBondContact O-CB 3.43Å; S75-H78 PolarHBondContact O-N 3.32Å; S75-H78 PolarHBondContact OG-N 3.29Å; S75-H78 PolarHBondContact OG-ND1 3.4Å; H78-S82 WeakPolarHBondContact O-CB 3.44Å; H78-S82 PolarHBondContact O-N 2.92Å; H78-S82 PolarHBondContact O-OG 2.79Å; H78-L101 PolarHBondContact CE1-O 2.84Å; H78-L101 PolarHBondContact NE2-O 3.05Å; H78-S107 PolarHBondContact NE2-O 2.88Å; H78-S107 VanDerWaalsContact NE2-O 3.07Å; H78-P109 WeakPolarHBondContact NE2-CD 3.37Å; H78-L112 HydrophobicContact CB-CD1 3.97Å |
| 79 | C | 96.5 | Very high | 96.1 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.4 | -46.1 | 176.2 | -62.1 | 0 | 0 | 0 | 0 | 111.1 | I47 M48 S75 A76 V81 S82 T83 | I47-C79 HydrophobicContact CB-CB 4.35Å; I47-C79 HydrophobicContact CG2-CB 3.71Å; M48-C79 HydrophobicContact CG-CB 3.87Å; S75-C79 PolarHBondContact O-N 2.94Å; S75-C79 VanDerWaalsContact O-N 3.13Å; A76-C79 PolarHBondContact O-N 2.91Å; C79-V81 VanDerWaalsContact C-N 3.33Å; C79-V81 PolarHBondContact O-N 3.1Å; C79-S82 WeakPolarHBondContact O-CB 3.45Å; C79-S82 PolarHBondContact O-N 3.29Å; C79-S82 VanDerWaalsContact O-N 3.09Å; C79-T83 PolarHBondContact O-N 3.26Å; C79-T83 PolarHBondContact O-OG1 2.98Å |
| 80 | A | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.7 | -37.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | I47 A76 L77 T83 R84 N85 T88 V89 L92 | I47-A80 HydrophobicContact CG2-CB 3.89Å; A76-A80 WeakPolarHBondContact O-CB 3.33Å; A76-A80 PolarHBondContact O-N 3.3Å; L77-A80 PolarHBondContact O-N 2.74Å; A80-T83 PolarHBondContact O-OG1 3.12Å; A80-T83 VanDerWaalsContact O-OG1 3.05Å; A80-R84 PolarHBondContact O-N 3.02Å; A80-N85 PolarHBondContact O-N 3.19Å; A80-T88 HydrophobicContact CB-CG2 3.79Å; A80-V89 HydrophobicContact CB-CG2 3.82Å; A80-L92 HydrophobicContact CB-CD1 3.64Å |
| 81 | V | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.4 | -39.5 | 173.5 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | L77 C79 T83 R84 V89 P109 L112 A113 L116 I121 L125 | L77-V81 VanDerWaalsContact O-CG2 3.28Å; L77-V81 WeakPolarHBondContact O-CG2 3.39Å; L77-V81 PolarHBondContact O-N 2.98Å; C79-V81 VanDerWaalsContact C-N 3.33Å; C79-V81 PolarHBondContact O-N 3.1Å; V81-T83 VanDerWaalsContact C-N 3.31Å; V81-T83 PolarHBondContact O-N 2.86Å; V81-R84 PolarHBondContact O-N 2.78Å; V81-V89 HydrophobicContact CG2-CG2 3.99Å; V81-P109 HydrophobicContact CG2-CB 4.11Å; V81-L112 HydrophobicContact CB-CB 4.5Å; V81-L112 HydrophobicContact CG1-CB 3.69Å; V81-A113 HydrophobicContact CG1-CB 4.01Å; V81-L116 HydrophobicContact CG1-CD1 4.26Å; V81-L116 WeakPolarHBondContact O-CD1 3.29Å; V81-I121 HydrophobicContact CB-CG2 4.42Å; V81-I121 HydrophobicContact CG1-CG2 4.15Å; V81-I121 HydrophobicContact CG2-CG2 3.79Å; V81-L125 HydrophobicContact CG2-CD1 3.93Å |
| 82 | S | 96.8 | Very high | 97.2 | Very high | 47 Ų | 47 | 37.3 Ų | 37.3 | 33% | 0.329 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.4 | -34.5 | 179.2 | -60.4 | 0 | 0 | 0 | 0 | 112.7 | H78 C79 R84 | H78-S82 WeakPolarHBondContact O-CB 3.44Å; H78-S82 PolarHBondContact O-N 2.92Å; H78-S82 PolarHBondContact O-OG 2.79Å; C79-S82 WeakPolarHBondContact O-CB 3.45Å; C79-S82 PolarHBondContact O-N 3.29Å; C79-S82 VanDerWaalsContact O-N 3.09Å; S82-R84 PolarHBondContact O-N 2.96Å |
| 83 | T | 95.9 | Very high | 97.4 | Very high | 33 Ų | 33 | 35.6 Ų | 35.6 | 20% | 0.202 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -1.5 | 173.6 | 61.5 | 0 | 0 | 0 | 0 | 113.5 | E50 C79 A80 V81 N85 | E50-T83 HydrophobicContact CG-CG2 3.89Å; C79-T83 PolarHBondContact O-N 3.26Å; C79-T83 PolarHBondContact O-OG1 2.98Å; A80-T83 PolarHBondContact O-OG1 3.12Å; A80-T83 VanDerWaalsContact O-OG1 3.05Å; V81-T83 VanDerWaalsContact C-N 3.31Å; V81-T83 PolarHBondContact O-N 2.86Å; T83-N85 PolarHBondContact O-N 2.84Å; T83-N85 VanDerWaalsContact O-N 3.15Å |
| 84 | R | 97.1 | Very high | 97.5 | Very high | 134 Ų | 134 | 35.9 Ų | 35.9 | 51% | 0.506 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 27.2 | -179.4 | -52.6 | 177.7 | 74.3 | 112.7 | 6 | 113.6 | A80 V81 S82 L86 L116 I121 | A80-R84 PolarHBondContact O-N 3.02Å; V81-R84 PolarHBondContact O-N 2.78Å; S82-R84 PolarHBondContact O-N 2.96Å; R84-L86 PolarHBondContact O-N 2.94Å; R84-L116 HydrophobicContact CG-CD1 4.42Å; R84-L116 PolarHBondContact NH1-O 3.05Å; R84-L116 PolarHBondContact NH2-O 3.24Å; R84-L116 VanDerWaalsContact NH2-O 3.14Å; R84-I121 VanDerWaalsContact C-CD1 3.45Å; R84-I121 HydrophobicContact CB-CD1 4.49Å |
| 85 | N | 95 | Very high | 97.5 | Very high | 33 Ų | 33 | 37.8 Ų | 37.8 | 18% | 0.176 | 19% | 0.193 | C | C | . | . | trans | -93.4 | 100.3 | -178.5 | -169.1 | -69.1 | 0 | 0 | 0 | 111.8 | H52 A80 T83 A87 T88 V89 | H52-N85 PolarHBondContact CE1-ND2 2.93Å; H52-N85 PolarHBondContact NE2-ND2 3.49Å; A80-N85 PolarHBondContact O-N 3.19Å; T83-N85 PolarHBondContact O-N 2.84Å; T83-N85 VanDerWaalsContact O-N 3.15Å; N85-A87 VanDerWaalsContact C-N 3.33Å; N85-A87 PolarHBondContact O-N 3.22Å; N85-A87 PolarHBondContact OD1-N 3.32Å; N85-T88 VanDerWaalsContact CG-OG1 3.31Å; N85-T88 PolarHBondContact O-N 3.02Å; N85-T88 WeakPolarHBondContact OD1-CB 3.4Å; N85-T88 PolarHBondContact OD1-N 3.39Å; N85-T88 PolarHBondContact OD1-OG1 3.48Å; N85-V89 WeakPolarHBondContact O-CG2 3.26Å; N85-V89 PolarHBondContact O-N 3.39Å; N85-V89 VanDerWaalsContact O-N 3.07Å | ||
| 86 | L | 97.7 | Very high | 97.5 | Very high | 51 Ų | 51 | 48.1 Ų | 48.1 | 27% | 0.267 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.5 | -38.1 | -178 | -179.1 | 62.5 | 0 | 0 | 0 | 113.2 | R84 V89 K90 D120 I121 A124 | R84-L86 PolarHBondContact O-N 2.94Å; L86-V89 PolarHBondContact O-N 2.94Å; L86-K90 HydrophobicContact CD1-CD 4.44Å; L86-K90 HydrophobicContact CD1-CG 4.28Å; L86-K90 HydrophobicContact CG-CD 4.3Å; L86-K90 WeakPolarHBondContact O-CG 3.34Å; L86-K90 PolarHBondContact O-N 3.36Å; L86-D120 HydrophobicContact CD1-CB 4.32Å; L86-D120 HydrophobicContact CD2-CB 3.87Å; L86-I121 HydrophobicContact CB-CG1 4.14Å; L86-I121 HydrophobicContact CD1-CG1 3.78Å; L86-A124 HydrophobicContact CD1-CB 4.17Å |
| 87 | A | 97.4 | Very high | 97.5 | Very high | 70 Ų | 70 | 48.3 Ų | 48.3 | 58% | 0.579 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -63.5 | -43.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N85 K90 M91 | N85-A87 VanDerWaalsContact C-N 3.33Å; N85-A87 PolarHBondContact O-N 3.22Å; N85-A87 PolarHBondContact OD1-N 3.32Å; A87-K90 PolarHBondContact O-N 2.85Å; A87-M91 WeakPolarHBondContact O-CB 3.48Å; A87-M91 PolarHBondContact O-N 3.46Å |
| 88 | T | 97.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.3 | -41.1 | 177.1 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | I47 H52 A80 N85 K90 M91 L92 | I47-T88 HydrophobicContact CD1-CG2 4.36Å; I47-T88 HydrophobicContact CG1-CG2 4.07Å; I47-T88 HydrophobicContact CG2-CG2 4.27Å; H52-T88 PolarHBondContact CE1-OG1 3.49Å; H52-T88 PolarHBondContact ND1-OG1 2.98Å; A80-T88 HydrophobicContact CB-CG2 3.79Å; N85-T88 VanDerWaalsContact CG-OG1 3.31Å; N85-T88 PolarHBondContact O-N 3.02Å; N85-T88 WeakPolarHBondContact OD1-CB 3.4Å; N85-T88 PolarHBondContact OD1-N 3.39Å; N85-T88 PolarHBondContact OD1-OG1 3.48Å; T88-K90 PolarHBondContact O-N 3.24Å; T88-M91 PolarHBondContact O-N 3.35Å; T88-L92 HydrophobicContact CG2-CD1 4.16Å; T88-L92 HydrophobicContact CG2-CG 4.49Å; T88-L92 VanDerWaalsContact O-CG 3.29Å; T88-L92 WeakPolarHBondContact O-CG 3.49Å; T88-L92 PolarHBondContact O-N 3.2Å |
| 89 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58 | -49 | 173.9 | 168.7 | 0 | 0 | 0 | 0 | 110.6 | L77 A80 V81 N85 L86 M91 L92 L93 I121 L125 | L77-V89 HydrophobicContact CD1-CG1 4.05Å; L77-V89 HydrophobicContact CD1-CG2 4.47Å; A80-V89 HydrophobicContact CB-CG2 3.82Å; V81-V89 HydrophobicContact CG2-CG2 3.99Å; N85-V89 WeakPolarHBondContact O-CG2 3.26Å; N85-V89 PolarHBondContact O-N 3.39Å; N85-V89 VanDerWaalsContact O-N 3.07Å; L86-V89 PolarHBondContact O-N 2.94Å; V89-M91 PolarHBondContact O-N 2.96Å; V89-L92 PolarHBondContact O-N 3.07Å; V89-L93 HydrophobicContact CG1-CD1 3.65Å; V89-L93 HydrophobicContact CG1-CG 4.43Å; V89-L93 VanDerWaalsContact O-CG 3.23Å; V89-L93 WeakPolarHBondContact O-CG 3.41Å; V89-L93 PolarHBondContact O-N 3.19Å; V89-I121 HydrophobicContact CG1-CG2 4.3Å; V89-I121 HydrophobicContact CG2-CD1 4.28Å; V89-I121 HydrophobicContact CG2-CG1 4.38Å; V89-I121 HydrophobicContact CG2-CG2 4.13Å; V89-L125 HydrophobicContact CG1-CD2 4.35Å |
| 90 | K | 98.5 | Very high | 97.6 | Very high | 107 Ų | 107 | 54.2 Ų | 54.2 | 47% | 0.465 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 179 | -74.9 | -177.8 | 175.5 | -177.2 | 0 | 112.5 | L86 A87 T88 L93 Q94 | L86-K90 HydrophobicContact CD1-CD 4.44Å; L86-K90 HydrophobicContact CD1-CG 4.28Å; L86-K90 HydrophobicContact CG-CD 4.3Å; L86-K90 WeakPolarHBondContact O-CG 3.34Å; L86-K90 PolarHBondContact O-N 3.36Å; A87-K90 PolarHBondContact O-N 2.85Å; T88-K90 PolarHBondContact O-N 3.24Å; K90-L93 PolarHBondContact O-N 2.94Å; K90-Q94 VanDerWaalsContact O-CG 3.29Å; K90-Q94 WeakPolarHBondContact O-CG 3.43Å; K90-Q94 PolarHBondContact O-N 3.03Å |
| 91 | M | 97.7 | Very high | 97.7 | Very high | 35 Ų | 35 | 56.1 Ų | 56.1 | 17% | 0.172 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.7 | -50.5 | 175.4 | -179.5 | -145.6 | -58 | 0 | 0 | 111.1 | R56 L59 A87 T88 V89 L93 Q94 E95 | R56-M91 HydrophobicContact CB-CE 4.17Å; R56-M91 HydrophobicContact CB-SD 4.29Å; L59-M91 HydrophobicContact CD1-CG 4.15Å; L59-M91 HydrophobicContact CD1-SD 3.45Å; L59-M91 WeakPolarHBondContact CD1-SD 3.42Å; A87-M91 WeakPolarHBondContact O-CB 3.48Å; A87-M91 PolarHBondContact O-N 3.46Å; T88-M91 PolarHBondContact O-N 3.35Å; V89-M91 PolarHBondContact O-N 2.96Å; M91-L93 VanDerWaalsContact C-N 3.33Å; M91-L93 PolarHBondContact O-N 3.1Å; M91-Q94 WeakPolarHBondContact O-CB 3.23Å; M91-Q94 PolarHBondContact O-N 3.41Å; M91-E95 PolarHBondContact O-N 3.29Å |
| 92 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 179.5 | -69.6 | 169.9 | 0 | 0 | 0 | 112.3 | L43 I47 L59 V65 A76 L77 A80 T88 V89 Q94 E95 R96 A97 | L43-L92 HydrophobicContact CD2-CD2 4.49Å; I47-L92 HydrophobicContact CD1-CD1 3.9Å; I47-L92 HydrophobicContact CD1-CD2 4.09Å; I47-L92 HydrophobicContact CD1-CG 4.47Å; L59-L92 HydrophobicContact CD1-CD2 3.99Å; L59-L92 HydrophobicContact CD2-CD2 4.45Å; V65-L92 HydrophobicContact CG2-CB 4.43Å; V65-L92 HydrophobicContact CG2-CD2 3.64Å; A76-L92 HydrophobicContact CB-CD1 4.06Å; A76-L92 HydrophobicContact CB-CD2 3.89Å; L77-L92 HydrophobicContact CB-CD1 4.47Å; L77-L92 HydrophobicContact CD1-CB 4.26Å; L77-L92 HydrophobicContact CD1-CD1 4.32Å; A80-L92 HydrophobicContact CB-CD1 3.64Å; T88-L92 HydrophobicContact CG2-CD1 4.16Å; T88-L92 HydrophobicContact CG2-CG 4.49Å; T88-L92 VanDerWaalsContact O-CG 3.29Å; T88-L92 WeakPolarHBondContact O-CG 3.49Å; T88-L92 PolarHBondContact O-N 3.2Å; V89-L92 PolarHBondContact O-N 3.07Å; L92-Q94 VanDerWaalsContact C-N 3.35Å; L92-E95 CarbonylContact O-C 3.54Å; L92-E95 PolarHBondContact O-N 2.78Å; L92-R96 PolarHBondContact O-N 3.44Å; L92-A97 HydrophobicContact CB-CB 3.92Å; L92-A97 WeakPolarHBondContact O-CB 3.28Å; L92-A97 PolarHBondContact O-N 2.96Å |
| 93 | L | 98.4 | Very high | 97.7 | Very high | 23 Ų | 23 | 60.6 Ų | 60.6 | 12% | 0.12 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.5 | -36.4 | 177.7 | -67.3 | 166.9 | 0 | 0 | 0 | 111.9 | L77 V89 K90 M91 E95 R96 P99 A124 L125 S128 | L77-L93 HydrophobicContact CD1-CD2 4.26Å; L77-L93 HydrophobicContact CD1-CG 4.22Å; L77-L93 HydrophobicContact CD2-CD2 3.78Å; V89-L93 HydrophobicContact CG1-CD1 3.65Å; V89-L93 HydrophobicContact CG1-CG 4.43Å; V89-L93 VanDerWaalsContact O-CG 3.23Å; V89-L93 WeakPolarHBondContact O-CG 3.41Å; V89-L93 PolarHBondContact O-N 3.19Å; K90-L93 PolarHBondContact O-N 2.94Å; M91-L93 VanDerWaalsContact C-N 3.33Å; M91-L93 PolarHBondContact O-N 3.1Å; L93-E95 VanDerWaalsContact C-N 3.29Å; L93-E95 PolarHBondContact O-N 2.85Å; L93-R96 PolarHBondContact O-N 3.3Å; L93-R96 VanDerWaalsContact O-N 3.09Å; L93-P99 HydrophobicContact CD2-CB 4.26Å; L93-A124 HydrophobicContact CD1-CB 4.47Å; L93-L125 HydrophobicContact CD1-CD2 4.25Å; L93-L125 HydrophobicContact CD2-CD2 4.33Å; L93-S128 WeakPolarHBondContact CD1-OG 3.49Å |
| 94 | Q | 97.4 | Very high | 97.8 | Very high | 150 Ų | 150 | 63.2 Ų | 63.2 | 70% | 0.701 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.7 | -37.5 | 171.8 | -73.2 | 169.5 | -13.9 | 0 | 0 | 111.8 | K90 M91 L92 R96 | K90-Q94 VanDerWaalsContact O-CG 3.29Å; K90-Q94 WeakPolarHBondContact O-CG 3.43Å; K90-Q94 PolarHBondContact O-N 3.03Å; M91-Q94 WeakPolarHBondContact O-CB 3.23Å; M91-Q94 PolarHBondContact O-N 3.41Å; L92-Q94 VanDerWaalsContact C-N 3.35Å; Q94-R96 PolarHBondContact O-N 2.9Å; Q94-R96 VanDerWaalsContact O-N 3.16Å |
| 95 | E | 97 | Very high | 97.8 | Very high | 102 Ų | 102 | 61.4 Ų | 61.4 | 48% | 0.477 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 19.2 | 173 | -63.4 | -55.2 | 146.3 | 0 | 0 | 113.7 | L59 V65 M91 L92 L93 A97 | L59-E95 HydrophobicContact CB-CG 4.37Å; L59-E95 HydrophobicContact CD1-CG 4.12Å; L59-E95 HydrophobicContact CD2-CB 4.28Å; L59-E95 HydrophobicContact CD2-CG 4.32Å; V65-E95 WeakPolarHBondContact CG1-O 3.29Å; V65-E95 HydrophobicContact CG2-CB 4.41Å; M91-E95 PolarHBondContact O-N 3.29Å; L92-E95 CarbonylContact O-C 3.54Å; L92-E95 PolarHBondContact O-N 2.78Å; L93-E95 VanDerWaalsContact C-N 3.29Å; L93-E95 PolarHBondContact O-N 2.85Å; E95-A97 VanDerWaalsContact C-N 3.33Å; E95-A97 PolarHBondContact O-N 3.25Å |
| 96 | R | 96.5 | Very high | 97.9 | Very high | 217 Ų | 217 | 60.4 Ų | 60.4 | 82% | 0.819 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 32.5 | 176.2 | -48.1 | 179.2 | -179.9 | -167.7 | -0.2 | 114.2 | N66 L92 L93 Q94 N98 | N66-R96 PolarHBondContact ND2-O 3.3Å; L92-R96 PolarHBondContact O-N 3.44Å; L93-R96 PolarHBondContact O-N 3.3Å; L93-R96 VanDerWaalsContact O-N 3.09Å; Q94-R96 PolarHBondContact O-N 2.9Å; Q94-R96 VanDerWaalsContact O-N 3.16Å; R96-N98 PolarHBondContact O-N 3.29Å |
| 97 | A | 98.2 | Very high | 97.9 | Very high | 5 Ų | 5 | 58.5 Ų | 58.5 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | trans | -56.7 | 129.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V65 L77 L92 E95 P99 | V65-A97 HydrophobicContact CG1-CB 4.43Å; V65-A97 HydrophobicContact CG2-CB 3.71Å; L77-A97 HydrophobicContact CB-CB 4.34Å; L77-A97 HydrophobicContact CD2-CB 4.08Å; L92-A97 HydrophobicContact CB-CB 3.92Å; L92-A97 WeakPolarHBondContact O-CB 3.28Å; L92-A97 PolarHBondContact O-N 2.96Å; E95-A97 VanDerWaalsContact C-N 3.33Å; E95-A97 PolarHBondContact O-N 3.25Å; A97-P99 VanDerWaalsContact O-CD 3.26Å; A97-P99 WeakPolarHBondContact O-CD 3.44Å | ||
| 98 | N | 98.4 | Very high | 98 | Very high | 63 Ų | 63 | 55.2 Ų | 55.2 | 34% | 0.337 | 26% | 0.259 | S | S | . | . | trans | -78.3 | 113.1 | 179.3 | 176.4 | 0.1 | 0 | 0 | 0 | 109.8 | N66 R96 N100 L101 | N66-N98 PolarHBondContact OD1-N 2.89Å; R96-N98 PolarHBondContact O-N 3.29Å; N98-N100 PolarHBondContact O-N 2.75Å; N98-N100 VanDerWaalsContact O-N 3.15Å; N98-N100 WeakPolarHBondContact OD1-CB 3.36Å; N98-N100 PolarHBondContact OD1-N 3.13Å; N98-L101 HydrophobicContact CB-CD1 4.36Å; N98-L101 HydrophobicContact CB-CD2 4.47Å; N98-L101 HydrophobicContact CB-CG 3.95Å; N98-L101 PolarHBondContact O-N 2.87Å | ||
| 99 | P | 98.3 | Very high | 98 | Very high | 10 Ų | 10 | 55.2 Ų | 55.2 | 7% | 0.065 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -0.1 | -178 | 34.3 | -38.1 | 0 | 0 | 0 | 113.7 | L77 L93 A97 P109 L125 S128 | L77-P99 HydrophobicContact CD2-CB 4.19Å; L93-P99 HydrophobicContact CD2-CB 4.26Å; A97-P99 VanDerWaalsContact O-CD 3.26Å; A97-P99 WeakPolarHBondContact O-CD 3.44Å; P99-P109 WeakPolarHBondContact O-CD 3.29Å; P99-L125 HydrophobicContact CB-CD2 4.27Å; P99-S128 WeakPolarHBondContact CG-O 3.25Å |
| 100 | N | 98.6 | Very high | 98 | Very high | 57 Ų | 57 | 55.2 Ų | 55.2 | 31% | 0.305 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 4.4 | -177.6 | -62.6 | -57.6 | 0 | 0 | 0 | 113.6 | N98 G129 N131 | N98-N100 PolarHBondContact O-N 2.75Å; N98-N100 VanDerWaalsContact O-N 3.15Å; N98-N100 WeakPolarHBondContact OD1-CB 3.36Å; N98-N100 PolarHBondContact OD1-N 3.13Å; N100-G129 PolarHBondContact ND2-O 2.74Å; N100-N131 VanDerWaalsContact OD1-CB 3.28Å; N100-N131 WeakPolarHBondContact OD1-CB 3.4Å; N100-N131 PolarHBondContact OD1-N 3.02Å |
| 101 | L | 98.4 | Very high | 98 | Very high | 41 Ų | 41 | 50.2 Ų | 50.2 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | trans | -58.2 | 143.4 | 169.2 | -68.3 | 179 | 0 | 0 | 0 | 109.8 | N66 H78 N98 T108 P109 | N66-L101 HydrophobicContact CB-CD1 4.04Å; H78-L101 PolarHBondContact CE1-O 2.84Å; H78-L101 PolarHBondContact NE2-O 3.05Å; N98-L101 HydrophobicContact CB-CD1 4.36Å; N98-L101 HydrophobicContact CB-CD2 4.47Å; N98-L101 HydrophobicContact CB-CG 3.95Å; N98-L101 PolarHBondContact O-N 2.87Å; L101-T108 WeakPolarHBondContact O-CA 3.42Å; L101-P109 WeakPolarHBondContact O-CD 3.49Å | ||
| 102 | R | 98.2 | Very high | 98 | Very high | 133 Ų | 133 | 49 Ų | 49 | 50% | 0.502 | 23% | 0.232 | S | C | . | . | trans | -110 | 132.4 | -178.9 | -66.1 | -177.8 | 176.9 | -137.3 | -3.6 | 109.9 | G106 S107 T108 R135 | R102-G106 WeakPolarHBondContact CG-O 3.43Å; R102-S107 WeakPolarHBondContact CA-O 3.36Å; R102-T108 HydrophobicContact CG-CG2 4.07Å; R102-R135 PolarHBondContact NH1-O 3.47Å; R102-R135 PolarHBondContact NH2-O 3.03Å | ||
| 103 | D | 97.9 | Very high | 98.1 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | trans | -72.9 | -176.3 | 168.4 | 77.3 | 3.4 | 0 | 0 | 0 | 111.7 | Q72 K74 N105 G106 S107 | Q72-D103 WeakPolarHBondContact O-CB 3.36Å; K74-D103 HydrophobicContact CG-CB 4.16Å; D103-N105 PolarHBondContact O-N 3.22Å; D103-N105 WeakPolarHBondContact OD1-CA 3.28Å; D103-N105 WeakPolarHBondContact OD1-CB 3.49Å; D103-N105 PolarHBondContact OD1-N 3.27Å; D103-G106 PolarHBondContact O-N 3.26Å; D103-G106 PolarHBondContact OD1-N 2.86Å; D103-S107 PolarHBondContact N-O 3.09Å; D103-S107 WeakPolarHBondContact OD1-CB 3.44Å; D103-S107 PolarHBondContact OD1-N 2.83Å | ||
| 104 | L | 97.3 | Very high | 98.1 | Very high | 88 Ų | 88 | 47.9 Ų | 47.9 | 46% | 0.461 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -33.8 | 179.9 | -177.7 | 69.5 | 0 | 0 | 0 | 112.5 | Q72 G106 | Q72-L104 WeakPolarHBondContact O-CB 3.5Å; Q72-L104 PolarHBondContact O-N 2.93Å; L104-G106 PolarHBondContact O-N 3.28Å |
| 105 | N | 97 | Very high | 98.1 | Very high | 97 Ų | 97 | 45.6 Ų | 45.6 | 52% | 0.519 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 13.6 | 179.2 | -60.1 | -43.5 | 0 | 0 | 0 | 112 | D103 S107 G137 | D103-N105 PolarHBondContact O-N 3.22Å; D103-N105 WeakPolarHBondContact OD1-CA 3.28Å; D103-N105 WeakPolarHBondContact OD1-CB 3.49Å; D103-N105 PolarHBondContact OD1-N 3.27Å; N105-S107 PolarHBondContact O-N 3.01Å; N105-S107 VanDerWaalsContact O-N 3.13Å; N105-G137 WeakPolarHBondContact O-CA 3.34Å; N105-G137 PolarHBondContact O-N 2.95Å |
| 106 | G | 97.7 | Very high | 98.2 | Very high | 12 Ų | 12 | 42.6 Ų | 42.6 | 12% | 0.124 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 69.4 | 3.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R102 D103 L104 D136 | R102-G106 WeakPolarHBondContact CG-O 3.43Å; D103-G106 PolarHBondContact O-N 3.26Å; D103-G106 PolarHBondContact OD1-N 2.86Å; L104-G106 PolarHBondContact O-N 3.28Å; G106-D136 WeakPolarHBondContact O-CA 3.23Å |
| 107 | S | 98.4 | Very high | 98.2 | Very high | 11 Ų | 11 | 33.1 Ų | 33.1 | 8% | 0.077 | 17% | 0.168 | C | C | . | . | trans | -76.8 | 136 | -175.2 | -66.4 | 0 | 0 | 0 | 0 | 110.4 | H78 R102 D103 N105 | H78-S107 PolarHBondContact NE2-O 2.88Å; H78-S107 VanDerWaalsContact NE2-O 3.07Å; R102-S107 WeakPolarHBondContact CA-O 3.36Å; D103-S107 PolarHBondContact N-O 3.09Å; D103-S107 WeakPolarHBondContact OD1-CB 3.44Å; D103-S107 PolarHBondContact OD1-N 2.83Å; N105-S107 PolarHBondContact O-N 3.01Å; N105-S107 VanDerWaalsContact O-N 3.13Å | ||
| 108 | T | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | trans | -89.7 | 165.2 | 169.6 | 67.2 | 0 | 0 | 0 | 0 | 110.8 | L101 R102 V110 H111 L112 A134 | L101-T108 WeakPolarHBondContact O-CA 3.42Å; R102-T108 HydrophobicContact CG-CG2 4.07Å; T108-V110 PolarHBondContact O-N 3.1Å; T108-V110 VanDerWaalsContact O-N 3.1Å; T108-V110 PolarHBondContact OG1-N 2.83Å; T108-H111 PolarHBondContact N-ND1 3.21Å; T108-H111 WeakPolarHBondContact O-CB 3.37Å; T108-H111 PolarHBondContact O-N 3.07Å; T108-H111 PolarHBondContact OG1-ND1 3.17Å; T108-L112 PolarHBondContact O-N 3.3Å; T108-A134 HydrophobicContact CG2-CB 4.01Å | ||
| 109 | P | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -50.6 | -33.5 | 169.9 | -31 | 37.5 | 0 | 0 | 0 | 113.7 | L77 H78 V81 P99 L101 L112 A113 L125 | L77-P109 HydrophobicContact CB-CG 4.34Å; L77-P109 HydrophobicContact CD2-CB 4.23Å; L77-P109 HydrophobicContact CD2-CG 3.9Å; L77-P109 HydrophobicContact CG-CB 4.08Å; L77-P109 HydrophobicContact CG-CG 3.9Å; H78-P109 WeakPolarHBondContact NE2-CD 3.37Å; V81-P109 HydrophobicContact CG2-CB 4.11Å; P99-P109 WeakPolarHBondContact O-CD 3.29Å; L101-P109 WeakPolarHBondContact O-CD 3.49Å; P109-L112 PolarHBondContact O-N 3.07Å; P109-A113 PolarHBondContact O-N 3.31Å; P109-L125 HydrophobicContact CB-CD1 3.95Å; P109-L125 HydrophobicContact CB-CD2 3.81Å; P109-L125 WeakPolarHBondContact O-CD1 3.28Å |
| 110 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.5 | -41 | 175.7 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | T108 A113 A114 F122 L125 L126 P142 | T108-V110 PolarHBondContact O-N 3.1Å; T108-V110 VanDerWaalsContact O-N 3.1Å; T108-V110 PolarHBondContact OG1-N 2.83Å; V110-A113 PolarHBondContact O-N 3.44Å; V110-A114 VanDerWaalsContact O-CB 3.31Å; V110-A114 WeakPolarHBondContact O-CB 3.46Å; V110-A114 PolarHBondContact O-N 3.22Å; V110-F122 HydrophobicContact CG1-CD2 4.05Å; V110-F122 HydrophobicContact CG1-CE2 3.47Å; V110-F122 VanDerWaalsContact CG1-CE2 3.47Å; V110-F122 HydrophobicContact CG1-CZ 4.18Å; V110-L125 HydrophobicContact CG2-CB 3.98Å; V110-L125 HydrophobicContact CG2-CD1 4.49Å; V110-L126 HydrophobicContact CG1-CD2 4.02Å; V110-L126 HydrophobicContact CG2-CD2 4.29Å; V110-P142 HydrophobicContact CB-CG 4.43Å; V110-P142 HydrophobicContact CG1-CB 3.98Å; V110-P142 HydrophobicContact CG1-CG 3.65Å |
| 111 | H | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63 | -43 | 174.1 | -67.5 | 83.8 | 0 | 0 | 0 | 111.4 | T108 A114 R115 A134 D136 R140 | T108-H111 PolarHBondContact N-ND1 3.21Å; T108-H111 WeakPolarHBondContact O-CB 3.37Å; T108-H111 PolarHBondContact O-N 3.07Å; T108-H111 PolarHBondContact OG1-ND1 3.17Å; H111-A114 PolarHBondContact O-N 2.97Å; H111-R115 WeakPolarHBondContact O-CB 3.33Å; H111-R115 PolarHBondContact O-N 3.42Å; H111-A134 PolarHBondContact CE1-O 3.04Å; H111-A134 PolarHBondContact NE2-O 3.29Å; H111-A134 VanDerWaalsContact NE2-O 3.07Å; H111-D136 PolarHBondContact NE2-N 3.3Å; H111-R140 PolarHBondContact NE2-O 2.97Å |
| 112 | L | 98.3 | Very high | 98.3 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 5% | 0.052 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -44.1 | 178.1 | -68.1 | -178.8 | 0 | 0 | 0 | 111.6 | H78 V81 T108 P109 A114 R115 L116 | H78-L112 HydrophobicContact CB-CD1 3.97Å; V81-L112 HydrophobicContact CB-CB 4.5Å; V81-L112 HydrophobicContact CG1-CB 3.69Å; T108-L112 PolarHBondContact O-N 3.3Å; P109-L112 PolarHBondContact O-N 3.07Å; L112-A114 VanDerWaalsContact C-N 3.34Å; L112-A114 PolarHBondContact O-N 3.07Å; L112-R115 WeakPolarHBondContact O-CB 3.47Å; L112-R115 PolarHBondContact O-N 3.2Å; L112-L116 WeakPolarHBondContact O-CB 3.39Å; L112-L116 VanDerWaalsContact O-CG 3.23Å; L112-L116 WeakPolarHBondContact O-CG 3.47Å; L112-L116 PolarHBondContact O-N 3.4Å |
| 113 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.8 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V81 P109 V110 L116 G117 A118 I121 F122 L125 I154 | V81-A113 HydrophobicContact CG1-CB 4.01Å; P109-A113 PolarHBondContact O-N 3.31Å; V110-A113 PolarHBondContact O-N 3.44Å; A113-L116 PolarHBondContact O-N 2.94Å; A113-G117 PolarHBondContact O-N 3.37Å; A113-A118 PolarHBondContact O-N 3.37Å; A113-A118 VanDerWaalsContact O-N 3.12Å; A113-I121 HydrophobicContact CB-CG2 4.02Å; A113-F122 HydrophobicContact CB-CB 3.93Å; A113-F122 HydrophobicContact CB-CD2 4.09Å; A113-L125 HydrophobicContact CB-CD1 3.86Å; A113-I154 WeakPolarHBondContact O-CD1 3.42Å |
| 114 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.6 | -40.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V110 H111 L112 F122 P142 V145 A146 N151 I154 | V110-A114 VanDerWaalsContact O-CB 3.31Å; V110-A114 WeakPolarHBondContact O-CB 3.46Å; V110-A114 PolarHBondContact O-N 3.22Å; H111-A114 PolarHBondContact O-N 2.97Å; L112-A114 VanDerWaalsContact C-N 3.34Å; L112-A114 PolarHBondContact O-N 3.07Å; A114-F122 HydrophobicContact CB-CD2 4.24Å; A114-F122 HydrophobicContact CB-CE2 4.03Å; A114-P142 HydrophobicContact CB-CB 4.19Å; A114-V145 HydrophobicContact CB-CB 4.48Å; A114-V145 HydrophobicContact CB-CG1 4.28Å; A114-A146 HydrophobicContact CB-CB 4.32Å; A114-N151 PolarHBondContact O-ND2 2.84Å; A114-I154 HydrophobicContact CB-CG2 4.16Å |
| 115 | R | 98.2 | Very high | 98.4 | Very high | 102 Ų | 102 | 25.2 Ų | 25.2 | 39% | 0.385 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -66.1 | -44.2 | 175.6 | -177.2 | 175.4 | 66.6 | 94.5 | 4.4 | 112.3 | H111 L112 G117 V145 H149 N151 | H111-R115 WeakPolarHBondContact O-CB 3.33Å; H111-R115 PolarHBondContact O-N 3.42Å; L112-R115 WeakPolarHBondContact O-CB 3.47Å; L112-R115 PolarHBondContact O-N 3.2Å; R115-G117 VanDerWaalsContact C-N 3.3Å; R115-G117 PolarHBondContact O-N 3.37Å; R115-V145 HydrophobicContact CB-CG1 3.65Å; R115-V145 HydrophobicContact CG-CG1 4.43Å; R115-H149 WeakPolarHBondContact CG-NE2 3.47Å; R115-N151 PolarHBondContact O-ND2 3.34Å |
| 116 | L | 98 | Very high | 98.5 | Very high | 38 Ų | 38 | 21.5 Ų | 21.5 | 20% | 0.199 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -78.5 | -12.8 | -175.9 | -67.3 | 171.3 | 0 | 0 | 0 | 113.4 | V81 R84 L112 A113 A118 | V81-L116 HydrophobicContact CG1-CD1 4.26Å; V81-L116 WeakPolarHBondContact O-CD1 3.29Å; R84-L116 HydrophobicContact CG-CD1 4.42Å; R84-L116 PolarHBondContact NH1-O 3.05Å; R84-L116 PolarHBondContact NH2-O 3.24Å; R84-L116 VanDerWaalsContact NH2-O 3.14Å; L112-L116 WeakPolarHBondContact O-CB 3.39Å; L112-L116 VanDerWaalsContact O-CG 3.23Å; L112-L116 WeakPolarHBondContact O-CG 3.47Å; L112-L116 PolarHBondContact O-N 3.4Å; A113-L116 PolarHBondContact O-N 2.94Å; L116-A118 HydrophobicContact CB-CB 4.29Å; L116-A118 PolarHBondContact O-N 3.42Å |
| 117 | G | 98.2 | Very high | 98.5 | Very high | 19 Ų | 19 | 27 Ų | 27 | 20% | 0.196 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 25.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A113 R115 F119 N151 | A113-G117 PolarHBondContact O-N 3.37Å; R115-G117 VanDerWaalsContact C-N 3.3Å; R115-G117 PolarHBondContact O-N 3.37Å; G117-F119 VanDerWaalsContact C-N 3.33Å; G117-F119 PolarHBondContact O-N 2.94Å; G117-N151 WeakPolarHBondContact CA-ND2 3.33Å; G117-N151 WeakPolarHBondContact CA-OD1 3.47Å; G117-N151 PolarHBondContact N-ND2 2.97Å; G117-N151 VanDerWaalsContact N-ND2 3.17Å |
| 118 | A | 98.4 | Very high | 98.5 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 7% | 0.066 | 16% | 0.157 | C | C | . | . | trans | -83 | 77.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | A113 L116 D120 I121 F122 | A113-A118 PolarHBondContact O-N 3.37Å; A113-A118 VanDerWaalsContact O-N 3.12Å; L116-A118 HydrophobicContact CB-CB 4.29Å; L116-A118 PolarHBondContact O-N 3.42Å; A118-D120 PolarHBondContact O-N 3.27Å; A118-I121 HydrophobicContact CB-CB 4.06Å; A118-I121 HydrophobicContact CB-CD1 4.23Å; A118-I121 PolarHBondContact O-N 3.31Å; A118-F122 WeakPolarHBondContact O-CB 3.47Å; A118-F122 PolarHBondContact O-N 3.35Å | ||
| 119 | F | 98.7 | Very high | 98.5 | Very high | 58 Ų | 58 | 31.4 Ų | 31.4 | 25% | 0.254 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -56.4 | -49.1 | -168.8 | -174.7 | -106.7 | 0 | 0 | 0 | 114.4 | G117 I121 F122 L123 Q153 I154 C157 | G117-F119 VanDerWaalsContact C-N 3.33Å; G117-F119 PolarHBondContact O-N 2.94Å; F119-I121 VanDerWaalsContact C-N 3.3Å; F119-I121 PolarHBondContact O-N 2.88Å; F119-F122 WeakPolarHBondContact O-CB 3.43Å; F119-F122 PolarHBondContact O-N 3.15Å; F119-F122 VanDerWaalsContact O-N 3.16Å; F119-L123 HydrophobicContact CD1-CD1 4.09Å; F119-L123 HydrophobicContact CE1-CD1 3.49Å; F119-L123 VanDerWaalsContact CE1-CD1 3.49Å; F119-L123 HydrophobicContact CE1-CG 4.18Å; F119-L123 HydrophobicContact CZ-CD1 3.78Å; F119-L123 HydrophobicContact CZ-CD2 4.35Å; F119-L123 HydrophobicContact CZ-CG 4.15Å; F119-L123 PolarHBondContact O-N 3.39Å; F119-Q153 HydrophobicContact CD2-CB 3.76Å; F119-Q153 HydrophobicContact CE2-CB 4.12Å; F119-Q153 HydrophobicContact CG-CB 4.31Å; F119-I154 HydrophobicContact CD2-CG1 4.03Å; F119-C157 HydrophobicContact CE2-CB 3.9Å |
| 120 | D | 98.7 | Very high | 98.4 | Very high | 104 Ų | 104 | 31.8 Ų | 31.8 | 56% | 0.556 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -66.2 | -35 | -178.4 | -57.8 | -40 | 0 | 0 | 0 | 112.5 | L86 A118 A124 | L86-D120 HydrophobicContact CD1-CB 4.32Å; L86-D120 HydrophobicContact CD2-CB 3.87Å; A118-D120 PolarHBondContact O-N 3.27Å; D120-A124 WeakPolarHBondContact O-CB 3.36Å; D120-A124 PolarHBondContact O-N 3.35Å |
| 121 | I | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.6 | -43 | 174.3 | -71.2 | 176.9 | 0 | 0 | 0 | 110 | V81 R84 L86 V89 A113 A118 F119 L123 A124 L125 | V81-I121 HydrophobicContact CB-CG2 4.42Å; V81-I121 HydrophobicContact CG1-CG2 4.15Å; V81-I121 HydrophobicContact CG2-CG2 3.79Å; R84-I121 VanDerWaalsContact C-CD1 3.45Å; R84-I121 HydrophobicContact CB-CD1 4.49Å; L86-I121 HydrophobicContact CB-CG1 4.14Å; L86-I121 HydrophobicContact CD1-CG1 3.78Å; V89-I121 HydrophobicContact CG1-CG2 4.3Å; V89-I121 HydrophobicContact CG2-CD1 4.28Å; V89-I121 HydrophobicContact CG2-CG1 4.38Å; V89-I121 HydrophobicContact CG2-CG2 4.13Å; A113-I121 HydrophobicContact CB-CG2 4.02Å; A118-I121 HydrophobicContact CB-CB 4.06Å; A118-I121 HydrophobicContact CB-CD1 4.23Å; A118-I121 PolarHBondContact O-N 3.31Å; F119-I121 VanDerWaalsContact C-N 3.3Å; F119-I121 PolarHBondContact O-N 2.88Å; I121-L123 VanDerWaalsContact C-N 3.33Å; I121-L123 PolarHBondContact O-N 2.93Å; I121-A124 PolarHBondContact O-N 3.05Å; I121-L125 HydrophobicContact CG2-CD1 3.89Å; I121-L125 HydrophobicContact CG2-CG 4.38Å; I121-L125 VanDerWaalsContact O-CG 3.25Å; I121-L125 WeakPolarHBondContact O-CG 3.24Å; I121-L125 PolarHBondContact O-N 3.45Å |
| 122 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.4 | -46.6 | 176.7 | -177.8 | -93 | 0 | 0 | 0 | 111.1 | V110 A113 A114 A118 F119 L125 L126 P142 I154 L158 | V110-F122 HydrophobicContact CG1-CD2 4.05Å; V110-F122 HydrophobicContact CG1-CE2 3.47Å; V110-F122 VanDerWaalsContact CG1-CE2 3.47Å; V110-F122 HydrophobicContact CG1-CZ 4.18Å; A113-F122 HydrophobicContact CB-CB 3.93Å; A113-F122 HydrophobicContact CB-CD2 4.09Å; A114-F122 HydrophobicContact CB-CD2 4.24Å; A114-F122 HydrophobicContact CB-CE2 4.03Å; A118-F122 WeakPolarHBondContact O-CB 3.47Å; A118-F122 PolarHBondContact O-N 3.35Å; F119-F122 WeakPolarHBondContact O-CB 3.43Å; F119-F122 PolarHBondContact O-N 3.15Å; F119-F122 VanDerWaalsContact O-N 3.16Å; F122-L125 PolarHBondContact O-N 2.95Å; F122-L126 HydrophobicContact CD1-CD1 4.06Å; F122-L126 HydrophobicContact CD1-CG 4.42Å; F122-L126 HydrophobicContact CE1-CD1 3.41Å; F122-L126 VanDerWaalsContact CE1-CD1 3.41Å; F122-L126 HydrophobicContact CE1-CG 4.07Å; F122-L126 HydrophobicContact CZ-CD1 3.88Å; F122-L126 HydrophobicContact CZ-CG 4.31Å; F122-L126 WeakPolarHBondContact O-CG 3.37Å; F122-L126 PolarHBondContact O-N 3.36Å; F122-L126 VanDerWaalsContact O-N 3.1Å; F122-P142 HydrophobicContact CE2-CB 4.26Å; F122-I154 HydrophobicContact CB-CD1 3.99Å; F122-I154 HydrophobicContact CB-CG1 4.39Å; F122-I154 HydrophobicContact CD1-CG1 4.37Å; F122-I154 HydrophobicContact CD1-CG2 4.12Å; F122-I154 HydrophobicContact CD2-CD1 4.14Å; F122-I154 HydrophobicContact CD2-CG2 3.93Å; F122-I154 HydrophobicContact CE1-CG2 3.89Å; F122-I154 HydrophobicContact CE2-CG2 3.69Å; F122-I154 HydrophobicContact CG-CD1 4.03Å; F122-I154 HydrophobicContact CG-CG1 4.2Å; F122-I154 HydrophobicContact CG-CG2 4.14Å; F122-I154 HydrophobicContact CZ-CG2 3.69Å; F122-L158 HydrophobicContact CE1-CD2 4.4Å; F122-L158 HydrophobicContact CE1-CG 4.22Å; F122-L158 HydrophobicContact CZ-CD1 3.95Å; F122-L158 HydrophobicContact CZ-CD2 3.77Å; F122-L158 HydrophobicContact CZ-CG 3.75Å |
| 123 | L | 98.6 | Very high | 98.4 | Very high | 49 Ų | 49 | 40.4 Ų | 40.4 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.1 | -49.9 | 174.8 | -70.6 | -178.8 | 0 | 0 | 0 | 112.2 | F119 I121 L125 L126 D127 | F119-L123 HydrophobicContact CD1-CD1 4.09Å; F119-L123 HydrophobicContact CE1-CD1 3.49Å; F119-L123 VanDerWaalsContact CE1-CD1 3.49Å; F119-L123 HydrophobicContact CE1-CG 4.18Å; F119-L123 HydrophobicContact CZ-CD1 3.78Å; F119-L123 HydrophobicContact CZ-CD2 4.35Å; F119-L123 HydrophobicContact CZ-CG 4.15Å; F119-L123 PolarHBondContact O-N 3.39Å; I121-L123 VanDerWaalsContact C-N 3.33Å; I121-L123 PolarHBondContact O-N 2.93Å; L123-L125 PolarHBondContact O-N 2.92Å; L123-L126 PolarHBondContact O-N 3.01Å; L123-D127 VanDerWaalsContact O-CG 3.29Å; L123-D127 PolarHBondContact O-N 2.84Å |
| 124 | A | 98.6 | Very high | 98.4 | Very high | 12 Ų | 12 | 40.7 Ų | 40.7 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.7 | -37.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | L86 L93 D120 I121 S128 | L86-A124 HydrophobicContact CD1-CB 4.17Å; L93-A124 HydrophobicContact CD1-CB 4.47Å; D120-A124 WeakPolarHBondContact O-CB 3.36Å; D120-A124 PolarHBondContact O-N 3.35Å; I121-A124 PolarHBondContact O-N 3.05Å; A124-S128 WeakPolarHBondContact O-CB 3.45Å; A124-S128 PolarHBondContact O-N 3.07Å; A124-S128 VanDerWaalsContact O-N 3.17Å; A124-S128 PolarHBondContact O-OG 2.86Å |
| 125 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.4 | -44 | 175.5 | -70.3 | 167 | 0 | 0 | 0 | 112 | L77 V81 V89 L93 P99 P109 V110 A113 I121 F122 L123 S128 G130 | L77-L125 HydrophobicContact CD1-CD2 4.05Å; L77-L125 HydrophobicContact CD2-CD2 3.87Å; L77-L125 HydrophobicContact CG-CD2 4.12Å; V81-L125 HydrophobicContact CG2-CD1 3.93Å; V89-L125 HydrophobicContact CG1-CD2 4.35Å; L93-L125 HydrophobicContact CD1-CD2 4.25Å; L93-L125 HydrophobicContact CD2-CD2 4.33Å; P99-L125 HydrophobicContact CB-CD2 4.27Å; P109-L125 HydrophobicContact CB-CD1 3.95Å; P109-L125 HydrophobicContact CB-CD2 3.81Å; P109-L125 WeakPolarHBondContact O-CD1 3.28Å; V110-L125 HydrophobicContact CG2-CB 3.98Å; V110-L125 HydrophobicContact CG2-CD1 4.49Å; A113-L125 HydrophobicContact CB-CD1 3.86Å; I121-L125 HydrophobicContact CG2-CD1 3.89Å; I121-L125 HydrophobicContact CG2-CG 4.38Å; I121-L125 VanDerWaalsContact O-CG 3.25Å; I121-L125 WeakPolarHBondContact O-CG 3.24Å; I121-L125 PolarHBondContact O-N 3.45Å; F122-L125 PolarHBondContact O-N 2.95Å; L123-L125 PolarHBondContact O-N 2.92Å; L125-S128 PolarHBondContact O-N 3.48Å; L125-G130 WeakPolarHBondContact O-CA 3.4Å; L125-G130 PolarHBondContact O-N 3.3Å |
| 126 | L | 98.3 | Very high | 98.4 | Very high | 20 Ų | 20 | 42 Ų | 42 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.7 | -44.4 | 176.6 | -68.9 | -170 | 0 | 0 | 0 | 111.7 | V110 F122 L123 S128 G129 G130 A132 K161 | V110-L126 HydrophobicContact CG1-CD2 4.02Å; V110-L126 HydrophobicContact CG2-CD2 4.29Å; F122-L126 HydrophobicContact CD1-CD1 4.06Å; F122-L126 HydrophobicContact CD1-CG 4.42Å; F122-L126 HydrophobicContact CE1-CD1 3.41Å; F122-L126 VanDerWaalsContact CE1-CD1 3.41Å; F122-L126 HydrophobicContact CE1-CG 4.07Å; F122-L126 HydrophobicContact CZ-CD1 3.88Å; F122-L126 HydrophobicContact CZ-CG 4.31Å; F122-L126 WeakPolarHBondContact O-CG 3.37Å; F122-L126 PolarHBondContact O-N 3.36Å; F122-L126 VanDerWaalsContact O-N 3.1Å; L123-L126 PolarHBondContact O-N 3.01Å; L126-S128 PolarHBondContact O-N 3.34Å; L126-G129 PolarHBondContact O-N 2.88Å; L126-G130 VanDerWaalsContact CD2-O 3.29Å; L126-G130 WeakPolarHBondContact CD2-O 3.31Å; L126-A132 HydrophobicContact CD2-CB 3.83Å; L126-K161 HydrophobicContact CD1-CD 3.93Å |
| 127 | D | 97.9 | Very high | 98.3 | Very high | 126 Ų | 126 | 42.5 Ų | 42.5 | 67% | 0.674 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.3 | -24.6 | 179 | -66.7 | -19.6 | 0 | 0 | 0 | 112.1 | L123 G129 | L123-D127 VanDerWaalsContact O-CG 3.29Å; L123-D127 PolarHBondContact O-N 2.84Å; D127-G129 VanDerWaalsContact C-N 3.33Å |
| 128 | S | 98.1 | Very high | 98.3 | Very high | 58 Ų | 58 | 45.8 Ų | 45.8 | 41% | 0.406 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 13.1 | 176.1 | -53.8 | 0 | 0 | 0 | 0 | 113.7 | L93 P99 A124 L125 L126 | L93-S128 WeakPolarHBondContact CD1-OG 3.49Å; P99-S128 WeakPolarHBondContact CG-O 3.25Å; A124-S128 WeakPolarHBondContact O-CB 3.45Å; A124-S128 PolarHBondContact O-N 3.07Å; A124-S128 VanDerWaalsContact O-N 3.17Å; A124-S128 PolarHBondContact O-OG 2.86Å; L125-S128 PolarHBondContact O-N 3.48Å; L126-S128 PolarHBondContact O-N 3.34Å |
| 129 | G | 97.9 | Very high | 98.3 | Very high | 48 Ų | 48 | 47.8 Ų | 47.8 | 50% | 0.495 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | 17.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N100 L126 D127 N131 | N100-G129 PolarHBondContact ND2-O 2.74Å; L126-G129 PolarHBondContact O-N 2.88Å; D127-G129 VanDerWaalsContact C-N 3.33Å; G129-N131 PolarHBondContact O-N 2.97Å |
| 130 | G | 98.3 | Very high | 98.2 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 8% | 0.082 | 27% | 0.274 | C | S | . | . | trans | -63.8 | 129.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L125 L126 A132 | L125-G130 WeakPolarHBondContact O-CA 3.4Å; L125-G130 PolarHBondContact O-N 3.3Å; L126-G130 VanDerWaalsContact CD2-O 3.29Å; L126-G130 WeakPolarHBondContact CD2-O 3.31Å; G130-A132 PolarHBondContact O-N 3.28Å | ||
| 131 | N | 98.3 | Very high | 98.2 | Very high | 76 Ų | 76 | 42.8 Ų | 42.8 | 41% | 0.406 | 25% | 0.25 | S | C | . | . | trans | -76.8 | 111.6 | -177.7 | -178.1 | -1.1 | 0 | 0 | 0 | 111.2 | N100 G129 E133 A134 | N100-N131 VanDerWaalsContact OD1-CB 3.28Å; N100-N131 WeakPolarHBondContact OD1-CB 3.4Å; N100-N131 PolarHBondContact OD1-N 3.02Å; G129-N131 PolarHBondContact O-N 2.97Å; N131-E133 PolarHBondContact O-N 3.32Å; N131-E133 WeakPolarHBondContact OD1-CA 3.5Å; N131-E133 PolarHBondContact OD1-N 3.43Å; N131-A134 HydrophobicContact CB-CB 4.04Å; N131-A134 PolarHBondContact O-N 2.87Å; N131-A134 PolarHBondContact OD1-N 3.46Å | ||
| 132 | A | 98.1 | Very high | 98.2 | Very high | 17 Ų | 17 | 42.5 Ų | 42.5 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -14.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L126 G130 P142 L158 V163 | L126-A132 HydrophobicContact CD2-CB 3.83Å; G130-A132 PolarHBondContact O-N 3.28Å; A132-P142 VanDerWaalsContact O-CD 3.28Å; A132-P142 WeakPolarHBondContact O-CD 3.39Å; A132-P142 WeakPolarHBondContact O-CG 3.31Å; A132-L158 HydrophobicContact CB-CD2 3.88Å; A132-V163 HydrophobicContact CB-CG1 4.14Å |
| 133 | E | 98.3 | Very high | 98.2 | Very high | 99 Ų | 99 | 42.6 Ų | 42.6 | 46% | 0.463 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 11.7 | -179 | -59.2 | -166.2 | 115.6 | 0 | 0 | 112.7 | N131 V163 D164 | N131-E133 PolarHBondContact O-N 3.32Å; N131-E133 WeakPolarHBondContact OD1-CA 3.5Å; N131-E133 PolarHBondContact OD1-N 3.43Å; E133-V163 HydrophobicContact CG-CB 4.24Å; E133-V163 HydrophobicContact CG-CG1 4.19Å; E133-D164 WeakPolarHBondContact OE1-CB 3.42Å; E133-D164 PolarHBondContact OE1-N 3Å |
| 134 | A | 98.2 | Very high | 98.2 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 5% | 0.05 | 24% | 0.237 | C | C | . | . | trans | -56.8 | 145.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | T108 H111 N131 T141 P142 | T108-A134 HydrophobicContact CG2-CB 4.01Å; H111-A134 PolarHBondContact CE1-O 3.04Å; H111-A134 PolarHBondContact NE2-O 3.29Å; H111-A134 VanDerWaalsContact NE2-O 3.07Å; N131-A134 HydrophobicContact CB-CB 4.04Å; N131-A134 PolarHBondContact O-N 2.87Å; N131-A134 PolarHBondContact OD1-N 3.46Å; A134-T141 WeakPolarHBondContact O-CA 3.48Å; A134-P142 VanDerWaalsContact O-CD 3.24Å; A134-P142 WeakPolarHBondContact O-CD 3.39Å | ||
| 135 | R | 98.3 | Very high | 98.1 | Very high | 124 Ų | 124 | 39.9 Ų | 39.9 | 47% | 0.468 | 23% | 0.233 | S | C | . | . | trans | -108.2 | 127 | 175.9 | -70.4 | -172.3 | 175.6 | 122.5 | 4.2 | 111.1 | R102 R140 T141 | R102-R135 PolarHBondContact NH1-O 3.47Å; R102-R135 PolarHBondContact NH2-O 3.03Å; R135-R140 WeakPolarHBondContact CA-O 3.49Å; R135-T141 HydrophobicContact CG-CG2 4.15Å | ||
| 136 | D | 98.3 | Very high | 98.1 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | trans | -73 | -176.9 | 170.7 | 77.4 | 4.9 | 0 | 0 | 0 | 112.4 | G106 H111 N138 C139 R140 | G106-D136 WeakPolarHBondContact O-CA 3.23Å; H111-D136 PolarHBondContact NE2-N 3.3Å; D136-N138 PolarHBondContact O-N 3.16Å; D136-N138 WeakPolarHBondContact OD1-CA 3.4Å; D136-N138 PolarHBondContact OD1-N 2.85Å; D136-C139 WeakPolarHBondContact O-CA 3.42Å; D136-C139 PolarHBondContact O-N 3.25Å; D136-C139 PolarHBondContact OD1-N 3.45Å; D136-R140 PolarHBondContact N-O 2.63Å; D136-R140 WeakPolarHBondContact OD1-CB 3.33Å; D136-R140 PolarHBondContact OD1-N 3.03Å; D136-R140 IonicContact OD1-NE 2.86Å; D136-R140 IonicContact OD2-CZ 2.93Å; D136-R140 VanDerWaalsContact OD2-CZ 3.22Å; D136-R140 IonicContact OD2-NE 3.22Å; D136-R140 PolarHBondContact OD2-NE 3.1Å; D136-R140 IonicContact OD2-NH2 3.4Å; D136-R140 PolarHBondContact OD2-NH2 2.82Å | ||
| 137 | G | 97.3 | Very high | 98 | Very high | 48 Ų | 48 | 39 Ų | 39 | 50% | 0.495 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -20.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.3 | N105 C139 | N105-G137 WeakPolarHBondContact O-CA 3.34Å; N105-G137 PolarHBondContact O-N 2.95Å; G137-C139 VanDerWaalsContact C-N 3.29Å |
| 138 | N | 97.3 | Very high | 97.8 | Very high | 88 Ų | 88 | 35.7 Ų | 35.7 | 47% | 0.471 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 19.7 | 173.2 | -65.4 | -11.9 | 0 | 0 | 0 | 111.3 | D136 R140 D169 F170 | D136-N138 PolarHBondContact O-N 3.16Å; D136-N138 WeakPolarHBondContact OD1-CA 3.4Å; D136-N138 PolarHBondContact OD1-N 2.85Å; N138-R140 HydrophobicContact CB-CG 4.15Å; N138-R140 PolarHBondContact O-N 3.37Å; N138-D169 CarbonylContact O-C 3.57Å; N138-D169 WeakPolarHBondContact O-CB 3.44Å; N138-F170 WeakPolarHBondContact O-CB 3.44Å; N138-F170 PolarHBondContact O-N 3.44Å |
| 139 | C | 97.8 | Very high | 97.7 | Very high | 50 Ų | 50 | 37 Ų | 37 | 34% | 0.338 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 59.1 | 14 | -176.2 | -60.6 | 0 | 0 | 0 | 0 | 114.8 | D136 G137 | D136-C139 WeakPolarHBondContact O-CA 3.42Å; D136-C139 PolarHBondContact O-N 3.25Å; D136-C139 PolarHBondContact OD1-N 3.45Å; G137-C139 VanDerWaalsContact C-N 3.29Å |
| 140 | R | 98.5 | Very high | 97.4 | Very high | 51 Ų | 51 | 35.6 Ų | 35.6 | 19% | 0.192 | 20% | 0.197 | C | C | . | . | trans | -79.1 | 136.1 | -178.2 | -61.3 | 177.2 | -59.2 | -175.2 | 0.7 | 109.9 | H111 R135 D136 N138 L144 V145 D169 | H111-R140 PolarHBondContact NE2-O 2.97Å; R135-R140 WeakPolarHBondContact CA-O 3.49Å; D136-R140 PolarHBondContact N-O 2.63Å; D136-R140 WeakPolarHBondContact OD1-CB 3.33Å; D136-R140 PolarHBondContact OD1-N 3.03Å; D136-R140 IonicContact OD1-NE 2.86Å; D136-R140 IonicContact OD2-CZ 2.93Å; D136-R140 VanDerWaalsContact OD2-CZ 3.22Å; D136-R140 IonicContact OD2-NE 3.22Å; D136-R140 PolarHBondContact OD2-NE 3.1Å; D136-R140 IonicContact OD2-NH2 3.4Å; D136-R140 PolarHBondContact OD2-NH2 2.82Å; N138-R140 HydrophobicContact CB-CG 4.15Å; N138-R140 PolarHBondContact O-N 3.37Å; R140-L144 HydrophobicContact CB-CB 4.09Å; R140-L144 HydrophobicContact CG-CB 4.4Å; R140-V145 HydrophobicContact CB-CG2 3.8Å; R140-D169 HydrophobicContact CG-CB 3.55Å | ||
| 141 | T | 98.4 | Very high | 97.3 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | trans | -82 | 164.5 | 163.7 | 62.4 | 0 | 0 | 0 | 0 | 110.6 | A134 R135 L143 L144 V145 V167 | A134-T141 WeakPolarHBondContact O-CA 3.48Å; R135-T141 HydrophobicContact CG-CG2 4.15Å; T141-L143 PolarHBondContact O-N 2.92Å; T141-L143 VanDerWaalsContact O-N 3.1Å; T141-L144 PolarHBondContact O-N 3.49Å; T141-L144 PolarHBondContact OG1-N 3.05Å; T141-V145 PolarHBondContact O-N 3.24Å; T141-V167 HydrophobicContact CG2-CB 4.2Å; T141-V167 HydrophobicContact CG2-CG1 4.04Å; T141-V167 HydrophobicContact CG2-CG2 4.07Å | ||
| 142 | P | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -50.2 | -32.1 | 169 | -31 | 35.8 | 0 | 0 | 0 | 114 | V110 A114 F122 A132 A134 A146 L158 | V110-P142 HydrophobicContact CB-CG 4.43Å; V110-P142 HydrophobicContact CG1-CB 3.98Å; V110-P142 HydrophobicContact CG1-CG 3.65Å; A114-P142 HydrophobicContact CB-CB 4.19Å; F122-P142 HydrophobicContact CE2-CB 4.26Å; A132-P142 VanDerWaalsContact O-CD 3.28Å; A132-P142 WeakPolarHBondContact O-CD 3.39Å; A132-P142 WeakPolarHBondContact O-CG 3.31Å; A134-P142 VanDerWaalsContact O-CD 3.24Å; A134-P142 WeakPolarHBondContact O-CD 3.39Å; P142-A146 VanDerWaalsContact O-CB 3.29Å; P142-A146 WeakPolarHBondContact O-CB 3.47Å; P142-A146 PolarHBondContact O-N 2.8Å; P142-L158 HydrophobicContact CB-CD1 4.13Å |
| 143 | L | 98.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.6 | -52.2 | 174.3 | 177.2 | 63.5 | 0 | 0 | 0 | 111.2 | T141 V145 A146 C147 I155 L158 L159 V163 V165 | T141-L143 PolarHBondContact O-N 2.92Å; T141-L143 VanDerWaalsContact O-N 3.1Å; L143-V145 VanDerWaalsContact C-N 3.34Å; L143-V145 PolarHBondContact O-N 3.46Å; L143-A146 PolarHBondContact O-N 3.28Å; L143-C147 PolarHBondContact O-N 2.73Å; L143-C147 PolarHBondContact O-SG 3.05Å; L143-C147 VanDerWaalsContact O-SG 3.38Å; L143-I155 HydrophobicContact CD1-CG2 3.88Å; L143-L158 HydrophobicContact CB-CD1 4.02Å; L143-L158 HydrophobicContact CD1-CB 4.29Å; L143-L158 HydrophobicContact CD1-CD1 4.39Å; L143-L159 HydrophobicContact CD1-CD2 4.21Å; L143-L159 HydrophobicContact CD2-CD2 4.37Å; L143-V163 HydrophobicContact CB-CG2 4.43Å; L143-V163 HydrophobicContact CD2-CG2 4.02Å; L143-V165 HydrophobicContact CD2-CG1 4.15Å |
| 144 | L | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.4 | -42.1 | 179.3 | -63.6 | 178.6 | 0 | 0 | 0 | 111.2 | R140 T141 A146 C147 T148 V167 H168 D169 A175 L178 | R140-L144 HydrophobicContact CB-CB 4.09Å; R140-L144 HydrophobicContact CG-CB 4.4Å; T141-L144 PolarHBondContact O-N 3.49Å; T141-L144 PolarHBondContact OG1-N 3.05Å; L144-A146 PolarHBondContact O-N 3.44Å; L144-C147 WeakPolarHBondContact O-CB 3.48Å; L144-C147 PolarHBondContact O-N 3.37Å; L144-T148 PolarHBondContact O-N 3.12Å; L144-T148 PolarHBondContact O-OG1 3.15Å; L144-V167 HydrophobicContact CD1-CB 4.4Å; L144-V167 HydrophobicContact CD1-CG2 3.94Å; L144-V167 HydrophobicContact CD2-CG2 4.2Å; L144-V167 HydrophobicContact CG-CG2 3.92Å; L144-H168 VanDerWaalsContact CD1-C 3.42Å; L144-D169 HydrophobicContact CD1-CB 4.29Å; L144-A175 HydrophobicContact CD2-CB 4.27Å; L144-L178 HydrophobicContact CB-CD1 3.83Å; L144-L178 HydrophobicContact CD2-CD1 3.84Å; L144-L178 HydrophobicContact CG-CD1 4.35Å |
| 145 | V | 98.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 175.2 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | A114 R115 R140 T141 L143 C147 T148 H149 | A114-V145 HydrophobicContact CB-CB 4.48Å; A114-V145 HydrophobicContact CB-CG1 4.28Å; R115-V145 HydrophobicContact CB-CG1 3.65Å; R115-V145 HydrophobicContact CG-CG1 4.43Å; R140-V145 HydrophobicContact CB-CG2 3.8Å; T141-V145 PolarHBondContact O-N 3.24Å; L143-V145 VanDerWaalsContact C-N 3.34Å; L143-V145 PolarHBondContact O-N 3.46Å; V145-C147 VanDerWaalsContact C-N 3.34Å; V145-T148 PolarHBondContact O-N 3.4Å; V145-H149 PolarHBondContact O-N 3.16Å; V145-H149 PolarHBondContact O-ND1 3.01Å |
| 146 | A | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.2 | -37.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A114 P142 L143 L144 H149 G150 N151 I154 I155 | A114-A146 HydrophobicContact CB-CB 4.32Å; P142-A146 VanDerWaalsContact O-CB 3.29Å; P142-A146 WeakPolarHBondContact O-CB 3.47Å; P142-A146 PolarHBondContact O-N 2.8Å; L143-A146 PolarHBondContact O-N 3.28Å; L144-A146 PolarHBondContact O-N 3.44Å; A146-H149 CarbonylContact O-C 3.58Å; A146-H149 PolarHBondContact O-N 3.28Å; A146-G150 PolarHBondContact O-N 2.93Å; A146-N151 HydrophobicContact CB-CB 4.4Å; A146-N151 PolarHBondContact O-N 3.16Å; A146-I154 HydrophobicContact CB-CB 4.29Å; A146-I154 HydrophobicContact CB-CG2 3.85Å; A146-I155 HydrophobicContact CB-CG1 3.65Å |
| 147 | C | 96 | Very high | 97 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.9 | -49.6 | 173.2 | -74.1 | 0 | 0 | 0 | 0 | 111.8 | L143 L144 V145 H149 G150 L178 Y179 | L143-C147 PolarHBondContact O-N 2.73Å; L143-C147 PolarHBondContact O-SG 3.05Å; L143-C147 VanDerWaalsContact O-SG 3.38Å; L144-C147 WeakPolarHBondContact O-CB 3.48Å; L144-C147 PolarHBondContact O-N 3.37Å; V145-C147 VanDerWaalsContact C-N 3.34Å; C147-H149 PolarHBondContact O-N 2.94Å; C147-H149 VanDerWaalsContact O-N 3.09Å; C147-G150 PolarHBondContact O-N 3.24Å; C147-L178 HydrophobicContact CB-CB 4.23Å; C147-Y179 VanDerWaalsContact O-CB 3.3Å; C147-Y179 WeakPolarHBondContact O-CB 3.39Å; C147-Y179 WeakPolarHBondContact O-CD2 3.34Å |
| 148 | T | 94.9 | Very high | 97 | Very high | 57 Ų | 57 | 31.6 Ų | 31.6 | 35% | 0.35 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -54.5 | -33.1 | 178 | -52.6 | 0 | 0 | 0 | 0 | 112.7 | L144 V145 | L144-T148 PolarHBondContact O-N 3.12Å; L144-T148 PolarHBondContact O-OG1 3.15Å; V145-T148 PolarHBondContact O-N 3.4Å |
| 149 | H | 94.7 | Very high | 97 | Very high | 87 Ų | 87 | 27.4 Ų | 27.4 | 40% | 0.403 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 2.5 | -177.3 | -60.7 | 79.3 | 0 | 0 | 0 | 113.6 | R115 V145 A146 C147 N151 | R115-H149 WeakPolarHBondContact CG-NE2 3.47Å; V145-H149 PolarHBondContact O-N 3.16Å; V145-H149 PolarHBondContact O-ND1 3.01Å; A146-H149 CarbonylContact O-C 3.58Å; A146-H149 PolarHBondContact O-N 3.28Å; C147-H149 PolarHBondContact O-N 2.94Å; C147-H149 VanDerWaalsContact O-N 3.09Å; H149-N151 VanDerWaalsContact C-N 3.31Å; H149-N151 WeakPolarHBondContact CB-ND2 3.26Å; H149-N151 PolarHBondContact O-N 2.83Å |
| 150 | G | 93.1 | Very high | 96.9 | Very high | 17 Ų | 17 | 30.2 Ų | 30.2 | 18% | 0.175 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 26.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | A146 C147 L152 | A146-G150 PolarHBondContact O-N 2.93Å; C147-G150 PolarHBondContact O-N 3.24Å; G150-L152 VanDerWaalsContact C-N 3.29Å; G150-L152 PolarHBondContact O-N 3.41Å |
| 151 | N | 96 | Very high | 96.8 | Very high | 35 Ų | 35 | 33 Ų | 33 | 19% | 0.187 | 17% | 0.171 | C | C | . | . | trans | -80.3 | 72.6 | -176.1 | -71 | -43.5 | 0 | 0 | 0 | 112 | A114 R115 G117 A146 H149 Q153 I154 I155 | A114-N151 PolarHBondContact O-ND2 2.84Å; R115-N151 PolarHBondContact O-ND2 3.34Å; G117-N151 WeakPolarHBondContact CA-ND2 3.33Å; G117-N151 WeakPolarHBondContact CA-OD1 3.47Å; G117-N151 PolarHBondContact N-ND2 2.97Å; G117-N151 VanDerWaalsContact N-ND2 3.17Å; A146-N151 HydrophobicContact CB-CB 4.4Å; A146-N151 PolarHBondContact O-N 3.16Å; H149-N151 VanDerWaalsContact C-N 3.31Å; H149-N151 WeakPolarHBondContact CB-ND2 3.26Å; H149-N151 PolarHBondContact O-N 2.83Å; N151-Q153 VanDerWaalsContact C-N 3.3Å; N151-Q153 PolarHBondContact O-N 3.31Å; N151-Q153 VanDerWaalsContact O-N 3.13Å; N151-I154 HydrophobicContact CB-CB 4.43Å; N151-I154 PolarHBondContact O-N 3.17Å; N151-I155 WeakPolarHBondContact O-CG1 3.46Å; N151-I155 PolarHBondContact O-N 2.74Å | ||
| 152 | L | 94.7 | Very high | 96.5 | Very high | 60 Ų | 60 | 39 Ų | 39 | 31% | 0.314 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -51.7 | -37.8 | -170.6 | -64.1 | -180 | 0 | 0 | 0 | 115.2 | G150 I155 N156 Y179 P183 L186 | G150-L152 VanDerWaalsContact C-N 3.29Å; G150-L152 PolarHBondContact O-N 3.41Å; L152-I155 HydrophobicContact CD2-CD1 4.34Å; L152-I155 PolarHBondContact O-N 3.05Å; L152-N156 WeakPolarHBondContact O-CB 3.33Å; L152-N156 PolarHBondContact O-N 3.01Å; L152-N156 PolarHBondContact O-ND2 3.29Å; L152-Y179 HydrophobicContact CD2-CE1 3.79Å; L152-P183 HydrophobicContact CD1-CG 3.85Å; L152-P183 HydrophobicContact CD2-CG 3.88Å; L152-L186 HydrophobicContact CD2-CD2 3.76Å |
| 153 | Q | 96.6 | Very high | 96.4 | Very high | 129 Ų | 129 | 39.7 Ų | 39.7 | 60% | 0.603 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -64.1 | -42.5 | 178.6 | -71.8 | -177.1 | -25 | 0 | 0 | 111.7 | F119 N151 N156 C157 | F119-Q153 HydrophobicContact CD2-CB 3.76Å; F119-Q153 HydrophobicContact CE2-CB 4.12Å; F119-Q153 HydrophobicContact CG-CB 4.31Å; N151-Q153 VanDerWaalsContact C-N 3.3Å; N151-Q153 PolarHBondContact O-N 3.31Å; N151-Q153 VanDerWaalsContact O-N 3.13Å; Q153-N156 PolarHBondContact O-N 3.47Å; Q153-C157 WeakPolarHBondContact O-CB 3.38Å; Q153-C157 PolarHBondContact O-N 2.78Å |
| 154 | I | 98.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.1 | -42.5 | 178.2 | -65.9 | -176.7 | 0 | 0 | 0 | 110.4 | A113 A114 F119 F122 A146 N151 N156 C157 L158 | A113-I154 WeakPolarHBondContact O-CD1 3.42Å; A114-I154 HydrophobicContact CB-CG2 4.16Å; F119-I154 HydrophobicContact CD2-CG1 4.03Å; F122-I154 HydrophobicContact CB-CD1 3.99Å; F122-I154 HydrophobicContact CB-CG1 4.39Å; F122-I154 HydrophobicContact CD1-CG1 4.37Å; F122-I154 HydrophobicContact CD1-CG2 4.12Å; F122-I154 HydrophobicContact CD2-CD1 4.14Å; F122-I154 HydrophobicContact CD2-CG2 3.93Å; F122-I154 HydrophobicContact CE1-CG2 3.89Å; F122-I154 HydrophobicContact CE2-CG2 3.69Å; F122-I154 HydrophobicContact CG-CD1 4.03Å; F122-I154 HydrophobicContact CG-CG1 4.2Å; F122-I154 HydrophobicContact CG-CG2 4.14Å; F122-I154 HydrophobicContact CZ-CG2 3.69Å; A146-I154 HydrophobicContact CB-CB 4.29Å; A146-I154 HydrophobicContact CB-CG2 3.85Å; N151-I154 HydrophobicContact CB-CB 4.43Å; N151-I154 PolarHBondContact O-N 3.17Å; I154-N156 VanDerWaalsContact C-N 3.34Å; I154-N156 PolarHBondContact O-N 2.94Å; I154-C157 WeakPolarHBondContact O-CB 3.29Å; I154-C157 PolarHBondContact O-N 3.15Å; I154-L158 HydrophobicContact CG2-CD1 3.97Å; I154-L158 WeakPolarHBondContact O-CG 3.48Å; I154-L158 PolarHBondContact O-N 3.38Å |
| 155 | I | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.1 | -50.1 | 175.4 | -58.2 | 169 | 0 | 0 | 0 | 109.8 | L143 A146 N151 L152 C157 L158 L159 L186 | L143-I155 HydrophobicContact CD1-CG2 3.88Å; A146-I155 HydrophobicContact CB-CG1 3.65Å; N151-I155 WeakPolarHBondContact O-CG1 3.46Å; N151-I155 PolarHBondContact O-N 2.74Å; L152-I155 HydrophobicContact CD2-CD1 4.34Å; L152-I155 PolarHBondContact O-N 3.05Å; I155-C157 VanDerWaalsContact C-N 3.33Å; I155-C157 PolarHBondContact O-N 3.39Å; I155-L158 PolarHBondContact O-N 3.27Å; I155-L159 HydrophobicContact CG2-CD1 4Å; I155-L159 HydrophobicContact CG2-CG 4.28Å; I155-L159 VanDerWaalsContact O-CG 3.3Å; I155-L159 WeakPolarHBondContact O-CG 3.33Å; I155-L159 PolarHBondContact O-N 3.49Å; I155-L186 HydrophobicContact CD1-CD2 4.01Å; I155-L186 HydrophobicContact CG2-CD1 3.62Å; I155-L186 HydrophobicContact CG2-CD2 3.93Å; I155-L186 HydrophobicContact CG2-CG 4.38Å |
| 156 | N | 96.6 | Very high | 96.2 | Very high | 61 Ų | 61 | 46.4 Ų | 46.4 | 33% | 0.326 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.8 | -37.9 | 179.1 | -78.3 | -52.4 | 0 | 0 | 0 | 113.1 | L152 Q153 I154 L159 N160 R189 | L152-N156 WeakPolarHBondContact O-CB 3.33Å; L152-N156 PolarHBondContact O-N 3.01Å; L152-N156 PolarHBondContact O-ND2 3.29Å; Q153-N156 PolarHBondContact O-N 3.47Å; I154-N156 VanDerWaalsContact C-N 3.34Å; I154-N156 PolarHBondContact O-N 2.94Å; N156-L159 PolarHBondContact O-N 2.91Å; N156-N160 WeakPolarHBondContact O-CB 3.31Å; N156-N160 PolarHBondContact O-N 3.36Å; N156-N160 PolarHBondContact O-ND2 3.24Å; N156-N160 PolarHBondContact O-OD1 3.25Å; N156-R189 PolarHBondContact OD1-NH1 3.05Å |
| 157 | C | 97.8 | Very high | 96.1 | Very high | 15 Ų | 15 | 46.7 Ų | 46.7 | 10% | 0.101 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.1 | -46.9 | 174.4 | 177.9 | 0 | 0 | 0 | 0 | 111.8 | F119 Q153 I154 I155 N160 K161 | F119-C157 HydrophobicContact CE2-CB 3.9Å; Q153-C157 WeakPolarHBondContact O-CB 3.38Å; Q153-C157 PolarHBondContact O-N 2.78Å; I154-C157 WeakPolarHBondContact O-CB 3.29Å; I154-C157 PolarHBondContact O-N 3.15Å; I155-C157 VanDerWaalsContact C-N 3.33Å; I155-C157 PolarHBondContact O-N 3.39Å; C157-N160 WeakPolarHBondContact O-CB 3.46Å; C157-N160 PolarHBondContact O-N 3.23Å; C157-K161 PolarHBondContact O-N 3.17Å; C157-K161 VanDerWaalsContact O-N 3.15Å |
| 158 | L | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 177.4 | -77.2 | 168.2 | 0 | 0 | 0 | 111.8 | F122 A132 P142 L143 I154 I155 N160 K161 N162 V163 | F122-L158 HydrophobicContact CE1-CD2 4.4Å; F122-L158 HydrophobicContact CE1-CG 4.22Å; F122-L158 HydrophobicContact CZ-CD1 3.95Å; F122-L158 HydrophobicContact CZ-CD2 3.77Å; F122-L158 HydrophobicContact CZ-CG 3.75Å; A132-L158 HydrophobicContact CB-CD2 3.88Å; P142-L158 HydrophobicContact CB-CD1 4.13Å; L143-L158 HydrophobicContact CB-CD1 4.02Å; L143-L158 HydrophobicContact CD1-CB 4.29Å; L143-L158 HydrophobicContact CD1-CD1 4.39Å; I154-L158 HydrophobicContact CG2-CD1 3.97Å; I154-L158 WeakPolarHBondContact O-CG 3.48Å; I154-L158 PolarHBondContact O-N 3.38Å; I155-L158 PolarHBondContact O-N 3.27Å; L158-N160 VanDerWaalsContact C-N 3.28Å; L158-N160 PolarHBondContact O-N 2.93Å; L158-K161 CarbonylContact O-C 3.45Å; L158-K161 WeakPolarHBondContact O-CA 3.24Å; L158-K161 PolarHBondContact O-N 2.92Å; L158-N162 PolarHBondContact O-N 2.94Å; L158-V163 HydrophobicContact CB-CG2 3.99Å; L158-V163 HydrophobicContact CD2-CG1 3.86Å; L158-V163 HydrophobicContact CD2-CG2 4.48Å |
| 159 | L | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.9 | -30.2 | 176.2 | -63.5 | -179.3 | 0 | 0 | 0 | 112.7 | L143 I155 N156 K161 N162 V165 L186 R189 L190 M193 | L143-L159 HydrophobicContact CD1-CD2 4.21Å; L143-L159 HydrophobicContact CD2-CD2 4.37Å; I155-L159 HydrophobicContact CG2-CD1 4Å; I155-L159 HydrophobicContact CG2-CG 4.28Å; I155-L159 VanDerWaalsContact O-CG 3.3Å; I155-L159 WeakPolarHBondContact O-CG 3.33Å; I155-L159 PolarHBondContact O-N 3.49Å; N156-L159 PolarHBondContact O-N 2.91Å; L159-K161 VanDerWaalsContact C-N 3.26Å; L159-K161 PolarHBondContact O-N 2.98Å; L159-N162 PolarHBondContact O-N 3.39Å; L159-V165 HydrophobicContact CD2-CG1 3.48Å; L159-V165 VanDerWaalsContact CD2-CG1 3.48Å; L159-L186 HydrophobicContact CD1-CD1 3.41Å; L159-L186 VanDerWaalsContact CD1-CD1 3.41Å; L159-R189 VanDerWaalsContact C-NH2 3.29Å; L159-R189 HydrophobicContact CD1-CG 4.06Å; L159-R189 PolarHBondContact O-NH2 3.15Å; L159-L190 HydrophobicContact CD1-CD2 4.21Å; L159-L190 HydrophobicContact CD2-CD2 3.82Å; L159-M193 HydrophobicContact CB-SD 4.04Å; L159-M193 HydrophobicContact CD2-CE 4.29Å; L159-M193 HydrophobicContact CD2-SD 3.88Å; L159-M193 HydrophobicContact CG-SD 4.4Å; L159-M193 WeakPolarHBondContact O-CE 3.16Å |
| 160 | N | 96.8 | Very high | 96.5 | Very high | 109 Ų | 109 | 51 Ų | 51 | 58% | 0.583 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -70.2 | -23.1 | 172 | -71.2 | -14.3 | 0 | 0 | 0 | 112.6 | N156 C157 L158 N162 R189 | N156-N160 WeakPolarHBondContact O-CB 3.31Å; N156-N160 PolarHBondContact O-N 3.36Å; N156-N160 PolarHBondContact O-ND2 3.24Å; N156-N160 PolarHBondContact O-OD1 3.25Å; C157-N160 WeakPolarHBondContact O-CB 3.46Å; C157-N160 PolarHBondContact O-N 3.23Å; L158-N160 VanDerWaalsContact C-N 3.28Å; L158-N160 PolarHBondContact O-N 2.93Å; N160-N162 VanDerWaalsContact C-N 3.33Å; N160-R189 VanDerWaalsContact OD1-CZ 3.24Å; N160-R189 PolarHBondContact OD1-NH1 3.22Å; N160-R189 PolarHBondContact OD1-NH2 2.66Å |
| 161 | K | 95.9 | Very high | 96.7 | Very high | 111 Ų | 111 | 53.3 Ų | 53.3 | 48% | 0.483 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 5.9 | 176.4 | -73.7 | -179.4 | 175.9 | -75.5 | 0 | 113.2 | L126 C157 L158 L159 V163 | L126-K161 HydrophobicContact CD1-CD 3.93Å; C157-K161 PolarHBondContact O-N 3.17Å; C157-K161 VanDerWaalsContact O-N 3.15Å; L158-K161 CarbonylContact O-C 3.45Å; L158-K161 WeakPolarHBondContact O-CA 3.24Å; L158-K161 PolarHBondContact O-N 2.92Å; L159-K161 VanDerWaalsContact C-N 3.26Å; L159-K161 PolarHBondContact O-N 2.98Å; K161-V163 VanDerWaalsContact C-N 3.28Å; K161-V163 PolarHBondContact O-N 3.24Å |
| 162 | N | 92.9 | Very high | 96.7 | Very high | 132 Ų | 132 | 58 Ų | 58 | 71% | 0.706 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 39.3 | 179.1 | -59.2 | -37.5 | 0 | 0 | 0 | 113.9 | L158 L159 N160 | L158-N162 PolarHBondContact O-N 2.94Å; L159-N162 PolarHBondContact O-N 3.39Å; N160-N162 VanDerWaalsContact C-N 3.33Å |
| 163 | V | 96.2 | Very high | 96.9 | Very high | 13 Ų | 13 | 56 Ų | 56 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | trans | -62 | 155.5 | 170.2 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | A132 E133 L143 L158 K161 V165 | A132-V163 HydrophobicContact CB-CG1 4.14Å; E133-V163 HydrophobicContact CG-CB 4.24Å; E133-V163 HydrophobicContact CG-CG1 4.19Å; L143-V163 HydrophobicContact CB-CG2 4.43Å; L143-V163 HydrophobicContact CD2-CG2 4.02Å; L158-V163 HydrophobicContact CB-CG2 3.99Å; L158-V163 HydrophobicContact CD2-CG1 3.86Å; L158-V163 HydrophobicContact CD2-CG2 4.48Å; K161-V163 VanDerWaalsContact C-N 3.28Å; K161-V163 PolarHBondContact O-N 3.24Å; V163-V165 PolarHBondContact O-N 3.22Å; V163-V165 VanDerWaalsContact O-N 3.15Å | ||
| 164 | D | 97.5 | Very high | 96.9 | Very high | 60 Ų | 60 | 50.2 Ų | 50.2 | 32% | 0.321 | 25% | 0.25 | S | C | . | . | trans | -60.8 | 116.7 | 175.8 | -178.4 | 11.2 | 0 | 0 | 0 | 111.3 | E133 T166 V167 | E133-D164 WeakPolarHBondContact OE1-CB 3.42Å; E133-D164 PolarHBondContact OE1-N 3Å; D164-T166 WeakPolarHBondContact OD1-CA 3.3Å; D164-T166 WeakPolarHBondContact OD1-CB 3.5Å; D164-T166 PolarHBondContact OD1-N 3.47Å; D164-T166 PolarHBondContact OD1-OG1 3.05Å; D164-T166 PolarHBondContact OD2-OG1 3.43Å; D164-V167 HydrophobicContact CB-CG1 3.94Å; D164-V167 WeakPolarHBondContact O-CG2 3.38Å; D164-V167 VanDerWaalsContact OD2-CG1 3.31Å; D164-V167 WeakPolarHBondContact OD2-CG1 3.46Å | ||
| 165 | V | 96.1 | Very high | 96.8 | Very high | 6 Ų | 6 | 50.2 Ų | 50.2 | 4% | 0.036 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -93.1 | -2.4 | 178 | -59.1 | 0 | 0 | 0 | 0 | 113.1 | L143 L159 V163 V167 L190 M193 T195 | L143-V165 HydrophobicContact CD2-CG1 4.15Å; L159-V165 HydrophobicContact CD2-CG1 3.48Å; L159-V165 VanDerWaalsContact CD2-CG1 3.48Å; V163-V165 PolarHBondContact O-N 3.22Å; V163-V165 VanDerWaalsContact O-N 3.15Å; V165-V167 VanDerWaalsContact C-N 3.34Å; V165-L190 HydrophobicContact CB-CD2 4.33Å; V165-L190 HydrophobicContact CG1-CD2 4.19Å; V165-M193 HydrophobicContact CG1-CB 4.25Å; V165-M193 HydrophobicContact CG1-CE 4.08Å; V165-M193 HydrophobicContact CG1-SD 4.41Å; V165-M193 HydrophobicContact CG2-CB 3.82Å; V165-M193 VanDerWaalsContact CG2-O 3.3Å; V165-M193 WeakPolarHBondContact CG2-O 3.42Å; V165-T195 PolarHBondContact O-OG1 2.85Å |
| 166 | T | 96.1 | Very high | 96.7 | Very high | 82 Ų | 82 | 50.2 Ų | 50.2 | 50% | 0.503 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -89.6 | -4.1 | 178.4 | 72.8 | 0 | 0 | 0 | 0 | 112.8 | D164 | D164-T166 WeakPolarHBondContact OD1-CA 3.3Å; D164-T166 WeakPolarHBondContact OD1-CB 3.5Å; D164-T166 PolarHBondContact OD1-N 3.47Å; D164-T166 PolarHBondContact OD1-OG1 3.05Å; D164-T166 PolarHBondContact OD2-OG1 3.43Å |
| 167 | V | 96.6 | Very high | 96.6 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | trans | -61.1 | 151.3 | 175.7 | -60.6 | 0 | 0 | 0 | 0 | 112.7 | T141 L144 D164 V165 | T141-V167 HydrophobicContact CG2-CB 4.2Å; T141-V167 HydrophobicContact CG2-CG1 4.04Å; T141-V167 HydrophobicContact CG2-CG2 4.07Å; L144-V167 HydrophobicContact CD1-CB 4.4Å; L144-V167 HydrophobicContact CD1-CG2 3.94Å; L144-V167 HydrophobicContact CD2-CG2 4.2Å; L144-V167 HydrophobicContact CG-CG2 3.92Å; D164-V167 HydrophobicContact CB-CG1 3.94Å; D164-V167 WeakPolarHBondContact O-CG2 3.38Å; D164-V167 VanDerWaalsContact OD2-CG1 3.31Å; D164-V167 WeakPolarHBondContact OD2-CG1 3.46Å; V165-V167 VanDerWaalsContact C-N 3.34Å | ||
| 168 | H | 97.4 | Very high | 96.3 | Very high | 78 Ų | 78 | 48.4 Ų | 48.4 | 36% | 0.361 | 24% | 0.239 | S | C | . | . | B | Isolated β-bridge | trans | -136.4 | 159.5 | 173.7 | 60 | 76.2 | 0 | 0 | 0 | 110.4 | L144 Y172 N173 T174 | L144-H168 VanDerWaalsContact CD1-C 3.42Å; H168-Y172 AromaticContact CE1-CD1 3.49Å; H168-Y172 VanDerWaalsContact CE1-CD1 3.49Å; H168-Y172 WeakPolarHBondContact CE1-CD1 3.3Å; H168-Y172 AromaticContact CE1-CE1 3.57Å; H168-Y172 AromaticContact ND1-CD1 3.61Å; H168-Y172 AromaticContact NE2-CD1 3.88Å; H168-Y172 AromaticContact NE2-CE1 3.99Å; H168-N173 VanDerWaalsContact CA-O 3.26Å; H168-N173 WeakPolarHBondContact CA-O 3.46Å; H168-T174 HydrophobicContact CB-CG2 4.32Å |
| 169 | D | 98 | Very high | 95.4 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | trans | -81.3 | -173.1 | 173.3 | 72.8 | 6.7 | 0 | 0 | 0 | 111.8 | N138 R140 L144 D171 Y172 N173 | N138-D169 CarbonylContact O-C 3.57Å; N138-D169 WeakPolarHBondContact O-CB 3.44Å; R140-D169 HydrophobicContact CG-CB 3.55Å; L144-D169 HydrophobicContact CD1-CB 4.29Å; D169-D171 PolarHBondContact O-N 3Å; D169-D171 VanDerWaalsContact OD1-C 3.3Å; D169-D171 WeakPolarHBondContact OD1-CA 3.48Å; D169-D171 PolarHBondContact OD1-N 3.42Å; D169-Y172 PolarHBondContact O-N 3.49Å; D169-Y172 PolarHBondContact OD1-N 3.38Å; D169-Y172 VanDerWaalsContact OD1-N 3.16Å; D169-N173 PolarHBondContact N-O 3.5Å; D169-N173 WeakPolarHBondContact OD1-CB 3.3Å; D169-N173 PolarHBondContact OD1-N 3.13Å; D169-N173 PolarHBondContact OD1-ND2 3.35Å; D169-N173 WeakPolarHBondContact OD2-CB 3.44Å; D169-N173 PolarHBondContact OD2-ND2 2.82Å; D169-N173 VanDerWaalsContact OD2-ND2 3.15Å | ||
| 170 | F | 97.6 | Very high | 94.5 | Very high | 143 Ų | 143 | 53.3 Ų | 53.3 | 63% | 0.627 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -31.3 | 178.5 | -173.3 | -94.2 | 0 | 0 | 0 | 113.1 | N138 Y172 | N138-F170 WeakPolarHBondContact O-CB 3.44Å; N138-F170 PolarHBondContact O-N 3.44Å; F170-Y172 PolarHBondContact O-N 3.45Å |
| 171 | D | 97 | Very high | 93.5 | Very high | 65 Ų | 65 | 51.9 Ų | 51.9 | 35% | 0.348 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 15.8 | 175.9 | -74.3 | -48.6 | 0 | 0 | 0 | 112 | D169 N173 N201 S202 | D169-D171 PolarHBondContact O-N 3Å; D169-D171 VanDerWaalsContact OD1-C 3.3Å; D169-D171 WeakPolarHBondContact OD1-CA 3.48Å; D169-D171 PolarHBondContact OD1-N 3.42Å; D171-N173 WeakPolarHBondContact CB-ND2 3.36Å; D171-N173 PolarHBondContact O-N 3.04Å; D171-N173 VanDerWaalsContact O-N 3.16Å; D171-N201 CarbonylContact O-C 3.58Å; D171-N201 WeakPolarHBondContact O-CA 2.94Å; D171-N201 VanDerWaalsContact O-CB 3.31Å; D171-N201 WeakPolarHBondContact O-CB 3.45Å; D171-S202 PolarHBondContact O-N 3.13Å; D171-S202 PolarHBondContact O-OG 3.25Å; D171-S202 PolarHBondContact OD1-OG 2.85Å |
| 172 | Y | 97.3 | Very high | 92.3 | Very high | 134 Ų | 134 | 46.7 Ų | 46.7 | 53% | 0.525 | 22% | 0.222 | S | C | . | . | trans | 58.9 | 20.7 | -177.1 | -64.8 | -90.8 | 0 | 0 | 0 | 114.3 | H168 D169 F170 T174 | H168-Y172 AromaticContact CE1-CD1 3.49Å; H168-Y172 VanDerWaalsContact CE1-CD1 3.49Å; H168-Y172 WeakPolarHBondContact CE1-CD1 3.3Å; H168-Y172 AromaticContact CE1-CE1 3.57Å; H168-Y172 AromaticContact ND1-CD1 3.61Å; H168-Y172 AromaticContact NE2-CD1 3.88Å; H168-Y172 AromaticContact NE2-CE1 3.99Å; D169-Y172 PolarHBondContact O-N 3.49Å; D169-Y172 PolarHBondContact OD1-N 3.38Å; D169-Y172 VanDerWaalsContact OD1-N 3.16Å; F170-Y172 PolarHBondContact O-N 3.45Å; Y172-T174 PolarHBondContact O-N 2.91Å | ||
| 173 | N | 97.6 | Very high | 92 | Very high | 19 Ų | 19 | 41.8 Ų | 41.8 | 10% | 0.102 | 20% | 0.197 | C | C | . | . | trans | -74.3 | 116.6 | 172.6 | -60.9 | -61.5 | 0 | 0 | 0 | 109.9 | H168 D169 D171 H177 L178 N201 | H168-N173 VanDerWaalsContact CA-O 3.26Å; H168-N173 WeakPolarHBondContact CA-O 3.46Å; D169-N173 PolarHBondContact N-O 3.5Å; D169-N173 WeakPolarHBondContact OD1-CB 3.3Å; D169-N173 PolarHBondContact OD1-N 3.13Å; D169-N173 PolarHBondContact OD1-ND2 3.35Å; D169-N173 WeakPolarHBondContact OD2-CB 3.44Å; D169-N173 PolarHBondContact OD2-ND2 2.82Å; D169-N173 VanDerWaalsContact OD2-ND2 3.15Å; D171-N173 WeakPolarHBondContact CB-ND2 3.36Å; D171-N173 PolarHBondContact O-N 3.04Å; D171-N173 VanDerWaalsContact O-N 3.16Å; N173-H177 HydrophobicContact CB-CB 3.73Å; N173-L178 HydrophobicContact CB-CD1 4.43Å; N173-L178 HydrophobicContact CB-CD2 3.54Å; N173-L178 HydrophobicContact CB-CG 3.85Å; N173-N201 VanDerWaalsContact OD1-CB 3.24Å; N173-N201 WeakPolarHBondContact OD1-CB 3.29Å; N173-N201 PolarHBondContact OD1-ND2 3.41Å; N173-N201 VanDerWaalsContact OD1-ND2 3.07Å | ||
| 174 | T | 96.7 | Very high | 91.7 | Very high | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -76.8 | 174 | 165.5 | 72.6 | 0 | 0 | 0 | 0 | 110.9 | H168 Y172 L176 H177 | H168-T174 HydrophobicContact CB-CG2 4.32Å; Y172-T174 PolarHBondContact O-N 2.91Å; T174-L176 PolarHBondContact O-N 3.11Å; T174-L176 VanDerWaalsContact O-N 3.15Å; T174-H177 PolarHBondContact N-ND1 3.26Å; T174-H177 WeakPolarHBondContact O-CB 3.23Å; T174-H177 PolarHBondContact O-N 3.08Å; T174-H177 PolarHBondContact OG1-CE1 3.39Å; T174-H177 PolarHBondContact OG1-ND1 3.22Å |
| 175 | A | 95.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -50.5 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L144 H177 L178 F182 L190 | L144-A175 HydrophobicContact CD2-CB 4.27Å; A175-H177 PolarHBondContact O-N 3.24Å; A175-L178 PolarHBondContact O-N 3.15Å; A175-F182 WeakPolarHBondContact O-CE2 3.5Å; A175-F182 WeakPolarHBondContact O-CZ 3.42Å; A175-L190 HydrophobicContact CB-CD1 3.78Å; A175-L190 HydrophobicContact CB-CD2 4.08Å |
| 176 | L | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.4 | -19.7 | 179 | -70.5 | 177 | 0 | 0 | 0 | 114 | T174 F182 L190 L191 T195 P207 Y211 L234 | T174-L176 PolarHBondContact O-N 3.11Å; T174-L176 VanDerWaalsContact O-N 3.15Å; L176-F182 HydrophobicContact CD2-CE2 4.33Å; L176-F182 HydrophobicContact CD2-CZ 4.47Å; L176-L190 HydrophobicContact CD2-CB 4.46Å; L176-L190 HydrophobicContact CD2-CD1 3.99Å; L176-L190 HydrophobicContact CG-CD1 4.41Å; L176-L191 HydrophobicContact CD1-CD2 3.8Å; L176-L191 HydrophobicContact CD1-CG 4.39Å; L176-T195 HydrophobicContact CD1-CG2 3.69Å; L176-T195 HydrophobicContact CG-CG2 3.94Å; L176-P207 HydrophobicContact CB-CB 3.98Å; L176-P207 HydrophobicContact CB-CG 3.8Å; L176-P207 HydrophobicContact CD1-CG 4.34Å; L176-Y211 WeakPolarHBondContact O-CE2 3.36Å; L176-L234 HydrophobicContact CD1-CD2 4.16Å |
| 177 | H | 95.2 | Very high | 91.1 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.028 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -85.5 | -21.5 | 177.4 | -63.9 | 87.5 | 0 | 0 | 0 | 113.4 | N173 T174 A175 S199 Q205 L210 W214 | N173-H177 HydrophobicContact CB-CB 3.73Å; T174-H177 PolarHBondContact N-ND1 3.26Å; T174-H177 WeakPolarHBondContact O-CB 3.23Å; T174-H177 PolarHBondContact O-N 3.08Å; T174-H177 PolarHBondContact OG1-CE1 3.39Å; T174-H177 PolarHBondContact OG1-ND1 3.22Å; A175-H177 PolarHBondContact O-N 3.24Å; H177-S199 PolarHBondContact CE1-O 3.12Å; H177-S199 PolarHBondContact NE2-O 3.17Å; H177-Q205 PolarHBondContact NE2-O 2.92Å; H177-Q205 VanDerWaalsContact NE2-O 3.11Å; H177-L210 HydrophobicContact CB-CD1 3.88Å; H177-W214 WeakPolarHBondContact O-CH2 3.44Å; H177-W214 WeakPolarHBondContact O-CZ2 3.1Å |
| 178 | L | 90.6 | Very high | 91 | Very high | 33 Ų | 33 | 42.8 Ų | 42.8 | 17% | 0.173 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -95.9 | -24.1 | -163.8 | -68.2 | 174.8 | 0 | 0 | 0 | 114.5 | L144 C147 N173 A175 | L144-L178 HydrophobicContact CB-CD1 3.83Å; L144-L178 HydrophobicContact CD2-CD1 3.84Å; L144-L178 HydrophobicContact CG-CD1 4.35Å; C147-L178 HydrophobicContact CB-CB 4.23Å; N173-L178 HydrophobicContact CB-CD1 4.43Å; N173-L178 HydrophobicContact CB-CD2 3.54Å; N173-L178 HydrophobicContact CB-CG 3.85Å; A175-L178 PolarHBondContact O-N 3.15Å |
| 179 | Y | 80.1 | Confident | 90.9 | Very high | 40 Ų | 40 | 42.1 Ų | 42.1 | 16% | 0.157 | 20% | 0.196 | C | C | . | . | trans | -114.9 | 98 | -171.6 | -173.2 | -133.9 | 0 | 0 | 0 | 112.6 | C147 L152 R181 F182 | C147-Y179 VanDerWaalsContact O-CB 3.3Å; C147-Y179 WeakPolarHBondContact O-CB 3.39Å; C147-Y179 WeakPolarHBondContact O-CD2 3.34Å; L152-Y179 HydrophobicContact CD2-CE1 3.79Å; Y179-R181 VanDerWaalsContact CE1-O 3.29Å; Y179-R181 WeakPolarHBondContact CE1-O 3.49Å; Y179-R181 HydrophobicContact CE2-CB 4.47Å; Y179-R181 PolarHBondContact O-N 3.06Å; Y179-F182 VanDerWaalsContact CB-CE2 3.46Å; Y179-F182 HydrophobicContact CD1-CB 4.24Å; Y179-F182 AromaticContact CD1-CD1 3.84Å; Y179-F182 HydrophobicContact CD1-CD1 3.84Å; Y179-F182 AromaticContact CD1-CD2 3.99Å; Y179-F182 HydrophobicContact CD1-CD2 3.99Å; Y179-F182 HydrophobicContact CD1-CE1 4.11Å; Y179-F182 HydrophobicContact CD1-CE2 4.3Å; Y179-F182 AromaticContact CD1-CG 3.75Å; Y179-F182 HydrophobicContact CD1-CG 3.75Å; Y179-F182 HydrophobicContact CD1-CZ 4.33Å; Y179-F182 HydrophobicContact CG-CD2 4.29Å; Y179-F182 HydrophobicContact CG-CE2 4.39Å; Y179-F182 HydrophobicContact CG-CG 4.49Å; Y179-F182 WeakPolarHBondContact O-CD2 3.3Å; Y179-F182 PolarHBondContact O-N 2.95Å | ||
| 180 | R | 76.9 | Confident | 90.8 | Very high | 63 Ų | 63 | 41.5 Ų | 41.5 | 24% | 0.238 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -30.9 | -176.3 | 178.5 | 164.9 | 174.4 | -133.2 | -20.1 | 115.2 | W214 T217 | R180-W214 HydrophobicContact CB-CD2 3.92Å; R180-W214 HydrophobicContact CB-CE3 4.05Å; R180-W214 HydrophobicContact CB-CG 4.31Å; R180-W214 HydrophobicContact CB-CZ2 4.48Å; R180-W214 HydrophobicContact CB-CZ3 4.39Å; R180-W214 HydrophobicContact CG-CB 3.76Å; R180-W214 HydrophobicContact CG-CD2 3.66Å; R180-W214 HydrophobicContact CG-CE3 3.97Å; R180-W214 HydrophobicContact CG-CG 3.57Å; R180-W214 PolarHBondContact NE-O 3.43Å; R180-W214 PolarHBondContact NH2-O 2.93Å; R180-T217 PolarHBondContact NE-OG1 2.9Å; R180-T217 PolarHBondContact NH1-OG1 3.09Å; R180-T217 PolarHBondContact NH2-O 3.39Å; R180-T217 PolarHBondContact NH2-OG1 3.34Å |
| 181 | R | 75.7 | Confident | 90.6 | Very high | 79 Ų | 79 | 35.9 Ų | 35.9 | 30% | 0.298 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116 | 44.1 | -173.3 | -52.2 | -170.7 | 82.6 | 91.7 | 24 | 112.1 | Y179 P183 D219 F220 S222 | Y179-R181 VanDerWaalsContact CE1-O 3.29Å; Y179-R181 WeakPolarHBondContact CE1-O 3.49Å; Y179-R181 HydrophobicContact CE2-CB 4.47Å; Y179-R181 PolarHBondContact O-N 3.06Å; R181-P183 WeakPolarHBondContact O-CD 3.4Å; R181-D219 PolarHBondContact NH1-O 3.2Å; R181-F220 PolarHBondContact NH1-O 3.38Å; R181-S222 VanDerWaalsContact NE-CB 3.35Å; R181-S222 PolarHBondContact NE-OG 2.96Å; R181-S222 VanDerWaalsContact NH2-CA 3.3Å; R181-S222 PolarHBondContact NH2-O 3.35Å; R181-S222 PolarHBondContact NH2-OG 3.14Å |
| 182 | F | 71.8 | Confident | 90.6 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | trans | -51.6 | 120.4 | 175.1 | -95.9 | -74.9 | 0 | 0 | 0 | 111.1 | A175 L176 Y179 L184 L186 C187 L190 Y211 C230 | A175-F182 WeakPolarHBondContact O-CE2 3.5Å; A175-F182 WeakPolarHBondContact O-CZ 3.42Å; L176-F182 HydrophobicContact CD2-CE2 4.33Å; L176-F182 HydrophobicContact CD2-CZ 4.47Å; Y179-F182 VanDerWaalsContact CB-CE2 3.46Å; Y179-F182 HydrophobicContact CD1-CB 4.24Å; Y179-F182 AromaticContact CD1-CD1 3.84Å; Y179-F182 HydrophobicContact CD1-CD1 3.84Å; Y179-F182 AromaticContact CD1-CD2 3.99Å; Y179-F182 HydrophobicContact CD1-CD2 3.99Å; Y179-F182 HydrophobicContact CD1-CE1 4.11Å; Y179-F182 HydrophobicContact CD1-CE2 4.3Å; Y179-F182 AromaticContact CD1-CG 3.75Å; Y179-F182 HydrophobicContact CD1-CG 3.75Å; Y179-F182 HydrophobicContact CD1-CZ 4.33Å; Y179-F182 HydrophobicContact CG-CD2 4.29Å; Y179-F182 HydrophobicContact CG-CE2 4.39Å; Y179-F182 HydrophobicContact CG-CG 4.49Å; Y179-F182 WeakPolarHBondContact O-CD2 3.3Å; Y179-F182 PolarHBondContact O-N 2.95Å; F182-L184 PolarHBondContact O-N 2.96Å; F182-L186 HydrophobicContact CD1-CB 3.94Å; F182-L186 HydrophobicContact CD1-CD2 3.49Å; F182-L186 VanDerWaalsContact CD1-CD2 3.49Å; F182-L186 HydrophobicContact CD1-CG 3.59Å; F182-L186 HydrophobicContact CE1-CB 4.4Å; F182-L186 HydrophobicContact CE1-CD2 3.4Å; F182-L186 VanDerWaalsContact CE1-CD2 3.4Å; F182-L186 HydrophobicContact CE1-CG 3.55Å; F182-C187 HydrophobicContact CB-CB 4.45Å; F182-L190 HydrophobicContact CD1-CD1 4.36Å; F182-L190 HydrophobicContact CE1-CD1 3.35Å; F182-L190 HydrophobicContact CZ-CD1 3.49Å; F182-L190 VanDerWaalsContact CZ-CD1 3.49Å; F182-Y211 HydrophobicContact CB-CE1 4.46Å; F182-Y211 AromaticContact CD2-CZ 3.97Å; F182-Y211 WeakPolarHBondContact CD2-OH 3.49Å; F182-Y211 WeakPolarHBondContact CG-OH 3.32Å; F182-C230 PolarHBondContact O-SG 3.11Å; F182-C230 VanDerWaalsContact O-SG 3.33Å | ||
| 183 | P | 87.1 | Confident | 90.5 | Very high | 29 Ų | 29 | 33.7 Ų | 33.7 | 19% | 0.188 | 17% | 0.173 | C | C | . | . | trans | -56 | 139 | 160.6 | -23 | 32 | 0 | 0 | 0 | 108.8 | L152 R181 S185 L186 C187 | L152-P183 HydrophobicContact CD1-CG 3.85Å; L152-P183 HydrophobicContact CD2-CG 3.88Å; R181-P183 WeakPolarHBondContact O-CD 3.4Å; P183-S185 PolarHBondContact O-N 3.38Å; P183-S185 VanDerWaalsContact O-N 3.11Å; P183-L186 HydrophobicContact CB-CB 4.47Å; P183-L186 PolarHBondContact O-N 3.27Å; P183-C187 PolarHBondContact O-N 3.01Å; P183-C187 VanDerWaalsContact O-N 3.11Å | ||
| 184 | L | 90 | Very high | 90.3 | Very high | 18 Ų | 18 | 35.1 Ų | 35.1 | 9% | 0.094 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -52.5 | -38.3 | 177.7 | 177.1 | 64.9 | 0 | 0 | 0 | 111.9 | F182 L186 C187 K188 R229 W233 | F182-L184 PolarHBondContact O-N 2.96Å; L184-L186 VanDerWaalsContact C-N 3.26Å; L184-L186 PolarHBondContact O-N 3.28Å; L184-C187 PolarHBondContact O-N 3.07Å; L184-K188 HydrophobicContact CD1-CD 4.41Å; L184-K188 HydrophobicContact CD1-CG 4.24Å; L184-K188 HydrophobicContact CG-CD 4.08Å; L184-K188 HydrophobicContact CG-CG 4.33Å; L184-K188 WeakPolarHBondContact O-CB 3.41Å; L184-K188 VanDerWaalsContact O-CG 3.26Å; L184-K188 WeakPolarHBondContact O-CG 3.33Å; L184-K188 PolarHBondContact O-N 3.04Å; L184-R229 HydrophobicContact CD1-CB 4.21Å; L184-R229 HydrophobicContact CD2-CB 4.11Å; L184-R229 HydrophobicContact CG-CB 4.5Å; L184-W233 HydrophobicContact CD1-CB 3.86Å; L184-W233 HydrophobicContact CD1-CG 4.12Å |
| 185 | S | 91.9 | Very high | 90.2 | Very high | 87 Ų | 87 | 35.1 Ų | 35.1 | 61% | 0.608 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -58.1 | -37.9 | 177.6 | 51.7 | 0 | 0 | 0 | 0 | 112.7 | P183 R189 | P183-S185 PolarHBondContact O-N 3.38Å; P183-S185 VanDerWaalsContact O-N 3.11Å; S185-R189 WeakPolarHBondContact O-CB 3.22Å; S185-R189 PolarHBondContact O-N 3.04Å; S185-R189 VanDerWaalsContact O-N 3.09Å |
| 186 | L | 92.4 | Very high | 90.2 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -78.8 | -40 | -179.1 | -177.9 | 62.3 | 0 | 0 | 0 | 111.7 | L152 I155 L159 F182 P183 L184 K188 R189 L190 | L152-L186 HydrophobicContact CD2-CD2 3.76Å; I155-L186 HydrophobicContact CD1-CD2 4.01Å; I155-L186 HydrophobicContact CG2-CD1 3.62Å; I155-L186 HydrophobicContact CG2-CD2 3.93Å; I155-L186 HydrophobicContact CG2-CG 4.38Å; L159-L186 HydrophobicContact CD1-CD1 3.41Å; L159-L186 VanDerWaalsContact CD1-CD1 3.41Å; F182-L186 HydrophobicContact CD1-CB 3.94Å; F182-L186 HydrophobicContact CD1-CD2 3.49Å; F182-L186 VanDerWaalsContact CD1-CD2 3.49Å; F182-L186 HydrophobicContact CD1-CG 3.59Å; F182-L186 HydrophobicContact CE1-CB 4.4Å; F182-L186 HydrophobicContact CE1-CD2 3.4Å; F182-L186 VanDerWaalsContact CE1-CD2 3.4Å; F182-L186 HydrophobicContact CE1-CG 3.55Å; P183-L186 HydrophobicContact CB-CB 4.47Å; P183-L186 PolarHBondContact O-N 3.27Å; L184-L186 VanDerWaalsContact C-N 3.26Å; L184-L186 PolarHBondContact O-N 3.28Å; L186-K188 PolarHBondContact O-N 3.48Å; L186-R189 PolarHBondContact O-N 3.06Å; L186-L190 PolarHBondContact O-N 2.97Å |
| 187 | C | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.9 | -49.1 | 171.5 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | F182 P183 L184 R189 L190 L191 | F182-C187 HydrophobicContact CB-CB 4.45Å; P183-C187 PolarHBondContact O-N 3.01Å; P183-C187 VanDerWaalsContact O-N 3.11Å; L184-C187 PolarHBondContact O-N 3.07Å; C187-R189 VanDerWaalsContact C-N 3.28Å; C187-R189 PolarHBondContact O-N 3.35Å; C187-L190 PolarHBondContact O-N 3.48Å; C187-L191 WeakPolarHBondContact O-CG 3.15Å; C187-L191 PolarHBondContact O-N 3.39Å; C187-L191 VanDerWaalsContact O-N 3.16Å |
| 188 | K | 93.8 | Very high | 90.3 | Very high | 78 Ų | 78 | 41.9 Ų | 41.9 | 34% | 0.339 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -53.4 | -46.6 | 173.7 | -78.1 | -178.9 | 172 | -164.9 | 0 | 112.1 | L184 L186 S192 W233 | L184-K188 HydrophobicContact CD1-CD 4.41Å; L184-K188 HydrophobicContact CD1-CG 4.24Å; L184-K188 HydrophobicContact CG-CD 4.08Å; L184-K188 HydrophobicContact CG-CG 4.33Å; L184-K188 WeakPolarHBondContact O-CB 3.41Å; L184-K188 VanDerWaalsContact O-CG 3.26Å; L184-K188 WeakPolarHBondContact O-CG 3.33Å; L184-K188 PolarHBondContact O-N 3.04Å; L186-K188 PolarHBondContact O-N 3.48Å; K188-S192 WeakPolarHBondContact O-CB 3.33Å; K188-S192 PolarHBondContact O-N 3.31Å; K188-S192 PolarHBondContact O-OG 3.15Å; K188-W233 HydrophobicContact CD-CD2 4.4Å; K188-W233 HydrophobicContact CD-CH2 4.44Å; K188-W233 HydrophobicContact CD-CZ2 4.14Å; K188-W233 VanDerWaalsContact CE-CE3 3.46Å; K188-W233 HydrophobicContact CG-CD2 3.93Å; K188-W233 HydrophobicContact CG-CG 4.17Å; K188-W233 HydrophobicContact CG-CZ2 3.89Å |
| 189 | R | 94.8 | Very high | 90.6 | Very high | 65 Ų | 65 | 41.6 Ų | 41.6 | 25% | 0.245 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.4 | -47.8 | -176.8 | -170.1 | 172 | -178.2 | 179 | 4.9 | 112.2 | N156 L159 N160 S185 L186 C187 L191 S192 M193 | N156-R189 PolarHBondContact OD1-NH1 3.05Å; L159-R189 VanDerWaalsContact C-NH2 3.29Å; L159-R189 HydrophobicContact CD1-CG 4.06Å; L159-R189 PolarHBondContact O-NH2 3.15Å; N160-R189 VanDerWaalsContact OD1-CZ 3.24Å; N160-R189 PolarHBondContact OD1-NH1 3.22Å; N160-R189 PolarHBondContact OD1-NH2 2.66Å; S185-R189 WeakPolarHBondContact O-CB 3.22Å; S185-R189 PolarHBondContact O-N 3.04Å; S185-R189 VanDerWaalsContact O-N 3.09Å; L186-R189 PolarHBondContact O-N 3.06Å; C187-R189 VanDerWaalsContact C-N 3.28Å; C187-R189 PolarHBondContact O-N 3.35Å; R189-L191 PolarHBondContact O-N 3.49Å; R189-S192 WeakPolarHBondContact CA-OG 3.42Å; R189-S192 PolarHBondContact O-N 3.1Å; R189-S192 PolarHBondContact O-OG 3.47Å; R189-M193 HydrophobicContact CG-SD 4.12Å; R189-M193 WeakPolarHBondContact O-CG 3.4Å; R189-M193 PolarHBondContact O-N 3.16Å |
| 190 | L | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.7 | -47.6 | 178.1 | -74 | 171.9 | 0 | 0 | 0 | 111.9 | L159 V165 A175 L176 F182 L186 C187 S192 M193 G194 T195 | L159-L190 HydrophobicContact CD1-CD2 4.21Å; L159-L190 HydrophobicContact CD2-CD2 3.82Å; V165-L190 HydrophobicContact CB-CD2 4.33Å; V165-L190 HydrophobicContact CG1-CD2 4.19Å; A175-L190 HydrophobicContact CB-CD1 3.78Å; A175-L190 HydrophobicContact CB-CD2 4.08Å; L176-L190 HydrophobicContact CD2-CB 4.46Å; L176-L190 HydrophobicContact CD2-CD1 3.99Å; L176-L190 HydrophobicContact CG-CD1 4.41Å; F182-L190 HydrophobicContact CD1-CD1 4.36Å; F182-L190 HydrophobicContact CE1-CD1 3.35Å; F182-L190 HydrophobicContact CZ-CD1 3.49Å; F182-L190 VanDerWaalsContact CZ-CD1 3.49Å; L186-L190 PolarHBondContact O-N 2.97Å; C187-L190 PolarHBondContact O-N 3.48Å; L190-S192 VanDerWaalsContact C-N 3.34Å; L190-S192 PolarHBondContact O-N 3.38Å; L190-M193 PolarHBondContact O-N 3.44Å; L190-M193 VanDerWaalsContact O-N 3.1Å; L190-G194 PolarHBondContact O-N 2.97Å; L190-T195 WeakPolarHBondContact O-CB 3.28Å; L190-T195 PolarHBondContact O-N 2.92Å; L190-T195 VanDerWaalsContact O-N 3.15Å; L190-T195 PolarHBondContact O-OG1 3.32Å |
| 191 | L | 94.7 | Very high | 92.3 | Very high | 24 Ų | 24 | 40.4 Ų | 40.4 | 13% | 0.126 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.8 | -42.2 | 176.9 | -67.7 | 171.2 | 0 | 0 | 0 | 111.8 | L176 C187 R189 M193 G194 V197 L234 N237 | L176-L191 HydrophobicContact CD1-CD2 3.8Å; L176-L191 HydrophobicContact CD1-CG 4.39Å; C187-L191 WeakPolarHBondContact O-CG 3.15Å; C187-L191 PolarHBondContact O-N 3.39Å; C187-L191 VanDerWaalsContact O-N 3.16Å; R189-L191 PolarHBondContact O-N 3.49Å; L191-M193 PolarHBondContact O-N 3.38Å; L191-G194 PolarHBondContact O-N 3.23Å; L191-V197 HydrophobicContact CD2-CB 3.89Å; L191-V197 HydrophobicContact CD2-CG2 4.08Å; L191-L234 HydrophobicContact CD1-CD2 4.27Å; L191-N237 HydrophobicContact CD1-CB 4.29Å |
| 192 | S | 95.4 | Very high | 93.3 | Very high | 97 Ų | 97 | 38.9 Ų | 38.9 | 68% | 0.678 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -65.4 | -21.4 | 177.2 | 71.9 | 0 | 0 | 0 | 0 | 113.7 | K188 R189 L190 | K188-S192 WeakPolarHBondContact O-CB 3.33Å; K188-S192 PolarHBondContact O-N 3.31Å; K188-S192 PolarHBondContact O-OG 3.15Å; R189-S192 WeakPolarHBondContact CA-OG 3.42Å; R189-S192 PolarHBondContact O-N 3.1Å; R189-S192 PolarHBondContact O-OG 3.47Å; L190-S192 VanDerWaalsContact C-N 3.34Å; L190-S192 PolarHBondContact O-N 3.38Å |
| 193 | M | 95.7 | Very high | 94.3 | Very high | 57 Ų | 57 | 42.5 Ų | 42.5 | 28% | 0.281 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 4.2 | 176.2 | -67.8 | -178.7 | 71.3 | 0 | 0 | 113.1 | L159 V165 R189 L190 L191 | L159-M193 HydrophobicContact CB-SD 4.04Å; L159-M193 HydrophobicContact CD2-CE 4.29Å; L159-M193 HydrophobicContact CD2-SD 3.88Å; L159-M193 HydrophobicContact CG-SD 4.4Å; L159-M193 WeakPolarHBondContact O-CE 3.16Å; V165-M193 HydrophobicContact CG1-CB 4.25Å; V165-M193 HydrophobicContact CG1-CE 4.08Å; V165-M193 HydrophobicContact CG1-SD 4.41Å; V165-M193 HydrophobicContact CG2-CB 3.82Å; V165-M193 VanDerWaalsContact CG2-O 3.3Å; V165-M193 WeakPolarHBondContact CG2-O 3.42Å; R189-M193 HydrophobicContact CG-SD 4.12Å; R189-M193 WeakPolarHBondContact O-CG 3.4Å; R189-M193 PolarHBondContact O-N 3.16Å; L190-M193 PolarHBondContact O-N 3.44Å; L190-M193 VanDerWaalsContact O-N 3.1Å; L191-M193 PolarHBondContact O-N 3.38Å |
| 194 | G | 93.7 | Very high | 94.7 | Very high | 48 Ų | 48 | 41.3 Ų | 41.3 | 50% | 0.495 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | 11.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L190 L191 C196 | L190-G194 PolarHBondContact O-N 2.97Å; L191-G194 PolarHBondContact O-N 3.23Å; G194-C196 PolarHBondContact O-N 2.9Å |
| 195 | T | 94.5 | Very high | 94.9 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.043 | 25% | 0.25 | C | C | . | . | trans | -60.9 | 124.3 | 169.5 | -58.3 | 0 | 0 | 0 | 0 | 110 | V165 L176 L190 V197 | V165-T195 PolarHBondContact O-OG1 2.85Å; L176-T195 HydrophobicContact CD1-CG2 3.69Å; L176-T195 HydrophobicContact CG-CG2 3.94Å; L190-T195 WeakPolarHBondContact O-CB 3.28Å; L190-T195 PolarHBondContact O-N 2.92Å; L190-T195 VanDerWaalsContact O-N 3.15Å; L190-T195 PolarHBondContact O-OG1 3.32Å; T195-V197 PolarHBondContact O-N 2.94Å | ||
| 196 | C | 95.9 | Very high | 95.2 | Very high | 72 Ų | 72 | 38.3 Ų | 38.3 | 49% | 0.486 | 22% | 0.221 | S | C | . | . | trans | -70.2 | 120.3 | 179.1 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | G194 N198 S199 | G194-C196 PolarHBondContact O-N 2.9Å; C196-N198 VanDerWaalsContact C-N 3.25Å; C196-N198 PolarHBondContact O-N 2.86Å; C196-S199 VanDerWaalsContact CB-OG 3.3Å; C196-S199 WeakPolarHBondContact CB-OG 3.42Å; C196-S199 PolarHBondContact O-N 3.07Å; C196-S199 PolarHBondContact O-OG 3.23Å | ||
| 197 | V | 96.2 | Very high | 95.3 | Very high | 15 Ų | 15 | 38.1 Ų | 38.1 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -27.8 | -177.6 | 73.2 | 0 | 0 | 0 | 0 | 113.4 | L191 T195 P207 L234 A239 | L191-V197 HydrophobicContact CD2-CB 3.89Å; L191-V197 HydrophobicContact CD2-CG2 4.08Å; T195-V197 PolarHBondContact O-N 2.94Å; V197-P207 WeakPolarHBondContact O-CD 3.41Å; V197-L234 HydrophobicContact CG2-CB 4.21Å; V197-L234 HydrophobicContact CG2-CD2 3.69Å; V197-A239 HydrophobicContact CG2-CB 3.76Å |
| 198 | N | 97 | Very high | 95.4 | Very high | 61 Ų | 61 | 38.1 Ų | 38.1 | 33% | 0.326 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 15.8 | -176.5 | -69.8 | -40.3 | 0 | 0 | 0 | 113.3 | C196 L200 G238 A239 E240 | C196-N198 VanDerWaalsContact C-N 3.25Å; C196-N198 PolarHBondContact O-N 2.86Å; N198-L200 PolarHBondContact O-N 3.08Å; N198-G238 PolarHBondContact ND2-O 3.26Å; N198-A239 VanDerWaalsContact OD1-CA 3.28Å; N198-A239 WeakPolarHBondContact OD1-CA 3.39Å; N198-E240 PolarHBondContact OD1-N 3.38Å |
| 199 | S | 96.7 | Very high | 95.5 | Very high | 27 Ų | 27 | 35 Ų | 35 | 19% | 0.189 | 21% | 0.206 | C | C | . | . | trans | -56.1 | 141.5 | 173.7 | -57.1 | 0 | 0 | 0 | 0 | 110 | H177 C196 P207 | H177-S199 PolarHBondContact CE1-O 3.12Å; H177-S199 PolarHBondContact NE2-O 3.17Å; C196-S199 VanDerWaalsContact CB-OG 3.3Å; C196-S199 WeakPolarHBondContact CB-OG 3.42Å; C196-S199 PolarHBondContact O-N 3.07Å; C196-S199 PolarHBondContact O-OG 3.23Å; S199-P207 VanDerWaalsContact O-CD 3.23Å; S199-P207 WeakPolarHBondContact O-CD 2.94Å | ||
| 200 | L | 96.3 | Very high | 95.5 | Very high | 70 Ų | 70 | 32.4 Ų | 32.4 | 37% | 0.366 | 20% | 0.197 | S | C | . | . | trans | -114.8 | 134.4 | 177.5 | -55.3 | -179.5 | 0 | 0 | 0 | 109.6 | N198 Q243 | N198-L200 PolarHBondContact O-N 3.08Å; L200-Q243 HydrophobicContact CD2-CG 3.67Å | ||
| 201 | N | 96.2 | Very high | 95.3 | Very high | 9 Ų | 9 | 32.5 Ų | 32.5 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | trans | -76.9 | -179.9 | 168.4 | 72.8 | 5 | 0 | 0 | 0 | 111.6 | D171 N173 F203 G204 Q205 | D171-N201 CarbonylContact O-C 3.58Å; D171-N201 WeakPolarHBondContact O-CA 2.94Å; D171-N201 VanDerWaalsContact O-CB 3.31Å; D171-N201 WeakPolarHBondContact O-CB 3.45Å; N173-N201 VanDerWaalsContact OD1-CB 3.24Å; N173-N201 WeakPolarHBondContact OD1-CB 3.29Å; N173-N201 PolarHBondContact OD1-ND2 3.41Å; N173-N201 VanDerWaalsContact OD1-ND2 3.07Å; N201-F203 PolarHBondContact O-N 2.83Å; N201-F203 WeakPolarHBondContact OD1-CA 3.31Å; N201-F203 WeakPolarHBondContact OD1-CB 3.44Å; N201-F203 PolarHBondContact OD1-N 3.16Å; N201-G204 PolarHBondContact O-N 3.44Å; N201-G204 PolarHBondContact OD1-N 3.29Å; N201-Q205 PolarHBondContact N-O 3.1Å; N201-Q205 PolarHBondContact ND2-OE1 2.97Å; N201-Q205 WeakPolarHBondContact OD1-CB 3.02Å; N201-Q205 PolarHBondContact OD1-N 2.9Å | ||
| 202 | S | 95.8 | Very high | 95.2 | Very high | 46 Ų | 46 | 31.3 Ų | 31.3 | 32% | 0.322 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -15.9 | 178.9 | 59.8 | 0 | 0 | 0 | 0 | 113.8 | D171 | D171-S202 PolarHBondContact O-N 3.13Å; D171-S202 PolarHBondContact O-OG 3.25Å; D171-S202 PolarHBondContact OD1-OG 2.85Å |
| 203 | F | 94.3 | Very high | 95 | Very high | 78 Ų | 78 | 30.5 Ų | 30.5 | 34% | 0.342 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 2.6 | 176 | -51.9 | -90.3 | 0 | 0 | 0 | 113.1 | N201 Q205 L246 Y247 | N201-F203 PolarHBondContact O-N 2.83Å; N201-F203 WeakPolarHBondContact OD1-CA 3.31Å; N201-F203 WeakPolarHBondContact OD1-CB 3.44Å; N201-F203 PolarHBondContact OD1-N 3.16Å; F203-Q205 HydrophobicContact CB-CG 3.95Å; F203-Q205 PolarHBondContact O-N 3.02Å; F203-L246 PolarHBondContact O-N 2.79Å; F203-Y247 HydrophobicContact CB-CD2 4.28Å; F203-Y247 HydrophobicContact CB-CE2 4.1Å; F203-Y247 HydrophobicContact CD1-CD2 4.05Å; F203-Y247 AromaticContact CD1-CE2 3.42Å; F203-Y247 HydrophobicContact CD1-CE2 3.42Å; F203-Y247 VanDerWaalsContact CD1-CE2 3.42Å; F203-Y247 HydrophobicContact CE1-CE2 4.25Å; F203-Y247 HydrophobicContact CG-CE2 4.18Å |
| 204 | G | 94.5 | Very high | 94.7 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | trans | 69.1 | 18 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N201 C245 | N201-G204 PolarHBondContact O-N 3.44Å; N201-G204 PolarHBondContact OD1-N 3.29Å; G204-C245 WeakPolarHBondContact O-CA 3.47Å | ||
| 205 | Q | 95.4 | Very high | 94.3 | Very high | 42 Ų | 42 | 28.1 Ų | 28.1 | 20% | 0.196 | 15% | 0.151 | C | C | . | . | trans | -85.9 | 127.6 | -179.6 | -59.4 | 168.1 | -37.3 | 0 | 0 | 108.5 | H177 N201 F203 F209 L210 C245 | H177-Q205 PolarHBondContact NE2-O 2.92Å; H177-Q205 VanDerWaalsContact NE2-O 3.11Å; N201-Q205 PolarHBondContact N-O 3.1Å; N201-Q205 PolarHBondContact ND2-OE1 2.97Å; N201-Q205 WeakPolarHBondContact OD1-CB 3.02Å; N201-Q205 PolarHBondContact OD1-N 2.9Å; F203-Q205 HydrophobicContact CB-CG 3.95Å; F203-Q205 PolarHBondContact O-N 3.02Å; Q205-F209 HydrophobicContact CB-CD1 3.93Å; Q205-F209 HydrophobicContact CG-CD1 3.79Å; Q205-F209 HydrophobicContact CG-CE1 3.93Å; Q205-L210 HydrophobicContact CB-CD2 4.22Å; Q205-L210 HydrophobicContact CB-CG 4.06Å; Q205-L210 HydrophobicContact CG-CD2 4.48Å; Q205-C245 HydrophobicContact CG-CB 4.19Å | ||
| 206 | S | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -81.2 | 161.5 | 166.8 | 66.5 | 0 | 0 | 0 | 0 | 110.4 | L208 F209 L210 | S206-L208 PolarHBondContact O-N 3.39Å; S206-F209 WeakPolarHBondContact O-CB 3.44Å; S206-F209 PolarHBondContact O-N 3.02Å; S206-F209 VanDerWaalsContact O-N 3.13Å; S206-F209 PolarHBondContact OG-N 3.11Å; S206-L210 PolarHBondContact O-N 2.74Å; S206-L210 VanDerWaalsContact O-N 3.08Å | ||
| 207 | P | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -51.1 | -42.4 | 168 | -30.2 | 36.2 | 0 | 0 | 0 | 112.3 | L176 V197 S199 F209 L210 Y211 L234 | L176-P207 HydrophobicContact CB-CB 3.98Å; L176-P207 HydrophobicContact CB-CG 3.8Å; L176-P207 HydrophobicContact CD1-CG 4.34Å; V197-P207 WeakPolarHBondContact O-CD 3.41Å; S199-P207 VanDerWaalsContact O-CD 3.23Å; S199-P207 WeakPolarHBondContact O-CD 2.94Å; P207-F209 PolarHBondContact O-N 3.34Å; P207-L210 PolarHBondContact O-N 2.64Å; P207-Y211 HydrophobicContact CB-CE2 4.49Å; P207-Y211 WeakPolarHBondContact O-CD2 3.33Å; P207-Y211 PolarHBondContact O-N 3.36Å; P207-L234 HydrophobicContact CB-CD1 4.18Å; P207-L234 HydrophobicContact CB-CD2 4.36Å |
| 208 | L | 96 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.8 | -48.2 | 177.8 | -174.4 | 74.5 | 0 | 0 | 0 | 112.1 | S206 L210 Y211 V212 L231 L234 L235 A239 P241 P252 L268 | S206-L208 PolarHBondContact O-N 3.39Å; L208-L210 VanDerWaalsContact C-N 3.34Å; L208-L210 PolarHBondContact O-N 3.43Å; L208-Y211 PolarHBondContact O-N 2.91Å; L208-V212 WeakPolarHBondContact O-CG2 3.41Å; L208-V212 PolarHBondContact O-N 3.18Å; L208-V212 VanDerWaalsContact O-N 3.17Å; L208-L231 HydrophobicContact CD1-CD1 3.41Å; L208-L231 VanDerWaalsContact CD1-CD1 3.41Å; L208-L231 HydrophobicContact CD1-CG 4.21Å; L208-L231 HydrophobicContact CG-CD1 4.27Å; L208-L234 HydrophobicContact CD1-CB 4.35Å; L208-L235 HydrophobicContact CD1-CD1 4.32Å; L208-L235 HydrophobicContact CD1-CD2 3.66Å; L208-L235 HydrophobicContact CD1-CG 3.65Å; L208-L235 HydrophobicContact CD2-CD2 3.68Å; L208-L235 HydrophobicContact CG-CD2 4.36Å; L208-A239 HydrophobicContact CB-CB 4.07Å; L208-A239 HydrophobicContact CD1-CB 4.17Å; L208-A239 HydrophobicContact CD2-CB 4.13Å; L208-A239 HydrophobicContact CG-CB 4.38Å; L208-P241 HydrophobicContact CD2-CB 4.27Å; L208-P252 HydrophobicContact CD2-CB 4.4Å; L208-P252 HydrophobicContact CD2-CG 4.07Å; L208-P252 HydrophobicContact CG-CG 4.39Å; L208-L268 HydrophobicContact CD1-CD2 4.47Å; L208-L268 HydrophobicContact CD2-CD2 4.1Å; L208-L268 HydrophobicContact CG-CD2 4.43Å |
| 209 | F | 95.3 | Very high | 88.8 | Confident | 13 Ų | 13 | 37.9 Ų | 37.9 | 6% | 0.057 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.8 | -47.1 | 177.4 | 178.3 | -83.1 | 0 | 0 | 0 | 111.6 | Q205 S206 P207 Y211 V212 H213 C245 R250 P252 V255 | Q205-F209 HydrophobicContact CB-CD1 3.93Å; Q205-F209 HydrophobicContact CG-CD1 3.79Å; Q205-F209 HydrophobicContact CG-CE1 3.93Å; S206-F209 WeakPolarHBondContact O-CB 3.44Å; S206-F209 PolarHBondContact O-N 3.02Å; S206-F209 VanDerWaalsContact O-N 3.13Å; S206-F209 PolarHBondContact OG-N 3.11Å; P207-F209 PolarHBondContact O-N 3.34Å; F209-Y211 PolarHBondContact O-N 2.73Å; F209-V212 PolarHBondContact O-N 3.09Å; F209-H213 HydrophobicContact CE1-CB 4.45Å; F209-H213 WeakPolarHBondContact O-CB 3.47Å; F209-H213 PolarHBondContact O-N 3.01Å; F209-C245 HydrophobicContact CD2-CB 4.2Å; F209-C245 HydrophobicContact CE1-CB 4.31Å; F209-C245 HydrophobicContact CE2-CB 3.83Å; F209-C245 HydrophobicContact CZ-CB 3.9Å; F209-R250 HydrophobicContact CE2-CB 4.25Å; F209-R250 WeakPolarHBondContact CE2-O 3.44Å; F209-P252 HydrophobicContact CB-CG 4.38Å; F209-V255 HydrophobicContact CD2-CG2 4.27Å; F209-V255 HydrophobicContact CE2-CG2 3.47Å; F209-V255 VanDerWaalsContact CE2-CG2 3.47Å; F209-V255 HydrophobicContact CZ-CG2 3.79Å |
| 210 | L | 93.6 | Very high | 86.6 | Confident | 11 Ų | 11 | 44.7 Ų | 44.7 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | -179.1 | -75.1 | 176.9 | 0 | 0 | 0 | 112.3 | H177 Q205 S206 P207 L208 V212 H213 W214 | H177-L210 HydrophobicContact CB-CD1 3.88Å; Q205-L210 HydrophobicContact CB-CD2 4.22Å; Q205-L210 HydrophobicContact CB-CG 4.06Å; Q205-L210 HydrophobicContact CG-CD2 4.48Å; S206-L210 PolarHBondContact O-N 2.74Å; S206-L210 VanDerWaalsContact O-N 3.08Å; P207-L210 PolarHBondContact O-N 2.64Å; L208-L210 VanDerWaalsContact C-N 3.34Å; L208-L210 PolarHBondContact O-N 3.43Å; L210-V212 VanDerWaalsContact C-N 3.33Å; L210-V212 PolarHBondContact O-N 3.01Å; L210-H213 WeakPolarHBondContact O-CB 3.37Å; L210-H213 PolarHBondContact O-N 3.01Å; L210-H213 VanDerWaalsContact O-N 3.16Å; L210-W214 HydrophobicContact CB-CD2 4.26Å; L210-W214 HydrophobicContact CB-CE3 4.34Å; L210-W214 HydrophobicContact CB-CH2 3.91Å; L210-W214 HydrophobicContact CB-CZ2 3.8Å; L210-W214 HydrophobicContact CB-CZ3 4.18Å; L210-W214 HydrophobicContact CD1-CH2 4.19Å; L210-W214 HydrophobicContact CD1-CZ2 4Å; L210-W214 HydrophobicContact CD2-CZ2 4.28Å; L210-W214 HydrophobicContact CG-CZ2 4.25Å; L210-W214 WeakPolarHBondContact O-CB 3.48Å; L210-W214 PolarHBondContact O-N 3.35Å |
| 211 | Y | 92.4 | Very high | 84.4 | Confident | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.4 | -39.9 | -179.9 | -81.1 | -122.9 | 0 | 0 | 0 | 111.4 | L176 F182 P207 L208 F209 W214 L215 C227 C230 L234 | L176-Y211 WeakPolarHBondContact O-CE2 3.36Å; F182-Y211 HydrophobicContact CB-CE1 4.46Å; F182-Y211 AromaticContact CD2-CZ 3.97Å; F182-Y211 WeakPolarHBondContact CD2-OH 3.49Å; F182-Y211 WeakPolarHBondContact CG-OH 3.32Å; P207-Y211 HydrophobicContact CB-CE2 4.49Å; P207-Y211 WeakPolarHBondContact O-CD2 3.33Å; P207-Y211 PolarHBondContact O-N 3.36Å; L208-Y211 PolarHBondContact O-N 2.91Å; F209-Y211 PolarHBondContact O-N 2.73Å; Y211-W214 AromaticContact CD2-CE3 3.78Å; Y211-W214 HydrophobicContact CD2-CE3 3.78Å; Y211-W214 HydrophobicContact CD2-CH2 4.41Å; Y211-W214 AromaticContact CD2-CZ3 3.43Å; Y211-W214 HydrophobicContact CD2-CZ3 3.43Å; Y211-W214 VanDerWaalsContact CD2-CZ3 3.43Å; Y211-W214 HydrophobicContact CE2-CE3 4.27Å; Y211-W214 HydrophobicContact CE2-CH2 4.38Å; Y211-W214 AromaticContact CE2-CZ3 3.52Å; Y211-W214 HydrophobicContact CE2-CZ3 3.52Å; Y211-W214 HydrophobicContact CG-CE3 4.15Å; Y211-W214 HydrophobicContact CG-CZ3 4.21Å; Y211-W214 PolarHBondContact O-N 2.96Å; Y211-L215 WeakPolarHBondContact O-CG 3.35Å; Y211-L215 PolarHBondContact O-N 3.33Å; Y211-C227 PolarHBondContact O-SG 3.46Å; Y211-C230 HydrophobicContact CD1-CB 3.61Å; Y211-C230 HydrophobicContact CE1-CB 3.23Å; Y211-L234 HydrophobicContact CD1-CD1 4.23Å; Y211-L234 HydrophobicContact CD2-CD1 4.12Å; Y211-L234 HydrophobicContact CE1-CD1 4.39Å; Y211-L234 HydrophobicContact CE2-CD1 4.19Å; Y211-L234 HydrophobicContact CG-CD1 4.06Å |
| 212 | V | 92.7 | Very high | 82.2 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 172.6 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | L208 F209 L210 W214 L215 L231 P252 V255 A256 N259 L268 | L208-V212 WeakPolarHBondContact O-CG2 3.41Å; L208-V212 PolarHBondContact O-N 3.18Å; L208-V212 VanDerWaalsContact O-N 3.17Å; F209-V212 PolarHBondContact O-N 3.09Å; L210-V212 VanDerWaalsContact C-N 3.33Å; L210-V212 PolarHBondContact O-N 3.01Å; V212-W214 VanDerWaalsContact C-N 3.29Å; V212-W214 PolarHBondContact O-N 3.04Å; V212-L215 PolarHBondContact O-N 3.49Å; V212-L231 HydrophobicContact CG2-CD1 3.43Å; V212-L231 VanDerWaalsContact CG2-CD1 3.43Å; V212-L231 HydrophobicContact CG2-CD2 4.24Å; V212-L231 HydrophobicContact CG2-CG 4.5Å; V212-P252 HydrophobicContact CG2-CB 4.29Å; V212-V255 HydrophobicContact CG1-CB 4.14Å; V212-V255 HydrophobicContact CG1-CG1 4.02Å; V212-A256 HydrophobicContact CG1-CB 3.72Å; V212-N259 PolarHBondContact O-ND2 3.37Å; V212-L268 HydrophobicContact CG2-CD1 4.1Å |
| 213 | H | 91.1 | Very high | 80.5 | Confident | 80 Ų | 80 | 49.2 Ų | 49.2 | 37% | 0.37 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.1 | -37.8 | 178.5 | 180 | 56 | 0 | 0 | 0 | 112.3 | F209 L210 L215 S216 V255 | F209-H213 HydrophobicContact CE1-CB 4.45Å; F209-H213 WeakPolarHBondContact O-CB 3.47Å; F209-H213 PolarHBondContact O-N 3.01Å; L210-H213 WeakPolarHBondContact O-CB 3.37Å; L210-H213 PolarHBondContact O-N 3.01Å; L210-H213 VanDerWaalsContact O-N 3.16Å; H213-L215 VanDerWaalsContact C-N 3.29Å; H213-L215 PolarHBondContact O-N 3.11Å; H213-S216 PolarHBondContact O-OG 3.34Å; H213-V255 HydrophobicContact CB-CG1 4.24Å |
| 214 | W | 89 | Confident | 79.2 | Confident | 36 Ų | 36 | 49.4 Ų | 49.4 | 14% | 0.136 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -72.8 | -14.2 | -179.7 | -68.8 | -23 | 0 | 0 | 0 | 114.9 | H177 R180 L210 Y211 V212 S216 T217 | H177-W214 WeakPolarHBondContact O-CH2 3.44Å; H177-W214 WeakPolarHBondContact O-CZ2 3.1Å; R180-W214 HydrophobicContact CB-CD2 3.92Å; R180-W214 HydrophobicContact CB-CE3 4.05Å; R180-W214 HydrophobicContact CB-CG 4.31Å; R180-W214 HydrophobicContact CB-CZ2 4.48Å; R180-W214 HydrophobicContact CB-CZ3 4.39Å; R180-W214 HydrophobicContact CG-CB 3.76Å; R180-W214 HydrophobicContact CG-CD2 3.66Å; R180-W214 HydrophobicContact CG-CE3 3.97Å; R180-W214 HydrophobicContact CG-CG 3.57Å; R180-W214 PolarHBondContact NE-O 3.43Å; R180-W214 PolarHBondContact NH2-O 2.93Å; L210-W214 HydrophobicContact CB-CD2 4.26Å; L210-W214 HydrophobicContact CB-CE3 4.34Å; L210-W214 HydrophobicContact CB-CH2 3.91Å; L210-W214 HydrophobicContact CB-CZ2 3.8Å; L210-W214 HydrophobicContact CB-CZ3 4.18Å; L210-W214 HydrophobicContact CD1-CH2 4.19Å; L210-W214 HydrophobicContact CD1-CZ2 4Å; L210-W214 HydrophobicContact CD2-CZ2 4.28Å; L210-W214 HydrophobicContact CG-CZ2 4.25Å; L210-W214 WeakPolarHBondContact O-CB 3.48Å; L210-W214 PolarHBondContact O-N 3.35Å; Y211-W214 AromaticContact CD2-CE3 3.78Å; Y211-W214 HydrophobicContact CD2-CE3 3.78Å; Y211-W214 HydrophobicContact CD2-CH2 4.41Å; Y211-W214 AromaticContact CD2-CZ3 3.43Å; Y211-W214 HydrophobicContact CD2-CZ3 3.43Å; Y211-W214 VanDerWaalsContact CD2-CZ3 3.43Å; Y211-W214 HydrophobicContact CE2-CE3 4.27Å; Y211-W214 HydrophobicContact CE2-CH2 4.38Å; Y211-W214 AromaticContact CE2-CZ3 3.52Å; Y211-W214 HydrophobicContact CE2-CZ3 3.52Å; Y211-W214 HydrophobicContact CG-CE3 4.15Å; Y211-W214 HydrophobicContact CG-CZ3 4.21Å; Y211-W214 PolarHBondContact O-N 2.96Å; V212-W214 VanDerWaalsContact C-N 3.29Å; V212-W214 PolarHBondContact O-N 3.04Å; W214-S216 VanDerWaalsContact C-N 3.32Å; W214-T217 PolarHBondContact O-OG1 3.11Å |
| 215 | L | 86 | Confident | 78.5 | Confident | 19 Ų | 19 | 54.4 Ų | 54.4 | 10% | 0.099 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -26.7 | 177.1 | -74.5 | 165.2 | 0 | 0 | 0 | 113 | Y211 V212 H213 D224 C227 Y228 L231 D261 A264 | Y211-L215 WeakPolarHBondContact O-CG 3.35Å; Y211-L215 PolarHBondContact O-N 3.33Å; V212-L215 PolarHBondContact O-N 3.49Å; H213-L215 VanDerWaalsContact C-N 3.29Å; H213-L215 PolarHBondContact O-N 3.11Å; L215-D224 HydrophobicContact CD2-CB 4.44Å; L215-C227 HydrophobicContact CD2-CB 3.7Å; L215-Y228 HydrophobicContact CD1-CD1 4.04Å; L215-Y228 HydrophobicContact CD1-CE1 3.71Å; L215-Y228 HydrophobicContact CD2-CD1 4.26Å; L215-Y228 HydrophobicContact CD2-CD2 4.18Å; L215-Y228 HydrophobicContact CD2-CE1 4.02Å; L215-Y228 HydrophobicContact CD2-CE2 3.91Å; L215-Y228 HydrophobicContact CD2-CG 4.34Å; L215-Y228 HydrophobicContact CG-CE1 4.5Å; L215-L231 HydrophobicContact CD1-CD2 4.49Å; L215-D261 VanDerWaalsContact CD1-OD2 3.3Å; L215-D261 WeakPolarHBondContact CD1-OD2 3.45Å; L215-A264 HydrophobicContact CD1-CB 4.14Å |
| 216 | S | 80.4 | Confident | 77.7 | Confident | 46 Ų | 46 | 55.1 Ų | 55.1 | 32% | 0.322 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -0.9 | -176.9 | 65 | 0 | 0 | 0 | 0 | 115.3 | H213 W214 N259 | H213-S216 PolarHBondContact O-OG 3.34Å; W214-S216 VanDerWaalsContact C-N 3.32Å; S216-N259 WeakPolarHBondContact CB-ND2 3.36Å; S216-N259 PolarHBondContact OG-ND2 3.42Å; S216-N259 PolarHBondContact OG-OD1 3.25Å |
| 217 | T | 72.2 | Confident | 77.2 | Confident | 50 Ų | 50 | 56 Ų | 56 | 31% | 0.307 | 32% | 0.324 | S | S | . | . | trans | -94.9 | 104.2 | -174.4 | 27.2 | 0 | 0 | 0 | 0 | 108.5 | R180 W214 D219 | R180-T217 PolarHBondContact NE-OG1 2.9Å; R180-T217 PolarHBondContact NH1-OG1 3.09Å; R180-T217 PolarHBondContact NH2-O 3.39Å; R180-T217 PolarHBondContact NH2-OG1 3.34Å; W214-T217 PolarHBondContact O-OG1 3.11Å; T217-D219 PolarHBondContact O-N 3.38Å | ||
| 218 | D | 60.9 | Low | 76.8 | Confident | 165 Ų | 165 | 58.2 Ų | 58.2 | 88% | 0.882 | 33% | 0.332 | S | S | * | . | trans | -59.2 | 0 | -174.3 | -67.1 | -40.6 | 0 | 0 | 0 | 115.8 | F220 | D218-F220 PolarHBondContact O-N 2.97Å; D218-F220 VanDerWaalsContact O-N 3.11Å | ||
| 219 | D | 54.9 | Low | 76.5 | Confident | 98 Ų | 98 | 64.2 Ų | 64.2 | 52% | 0.524 | 36% | 0.355 | S | S | . | . | trans | -69.2 | 107.9 | -175.1 | -81.1 | -16.8 | 0 | 0 | 0 | 112.7 | R181 T217 | R181-D219 PolarHBondContact NH1-O 3.2Å; T217-D219 PolarHBondContact O-N 3.38Å | ||
| 220 | F | 49.3 | Very low | 76.3 | Confident | 170 Ų | 170 | 63.6 Ų | 63.6 | 75% | 0.746 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 72.7 | 87.6 | 158.1 | -51 | -77.2 | 0 | 0 | 0 | 118 | R181 D218 S222 | R181-F220 PolarHBondContact NH1-O 3.38Å; D218-F220 PolarHBondContact O-N 2.97Å; D218-F220 VanDerWaalsContact O-N 3.11Å; F220-S222 VanDerWaalsContact C-N 3.27Å; F220-S222 PolarHBondContact O-N 3.27Å |
| 221 | G | 49.5 | Very low | 76.2 | Confident | 97 Ų | 97 | 63.1 Ų | 63.1 | 100% | 1 | 35% | 0.35 | S | S | * | . | S | Bend | 62.3 | -6.3 | 124 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||
| 222 | S | 51.5 | Low | 76.1 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 43% | 0.434 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -108.5 | 149.9 | 176.3 | 139 | 0 | 0 | 0 | 0 | 110.4 | R181 F220 D224 | R181-S222 VanDerWaalsContact NE-CB 3.35Å; R181-S222 PolarHBondContact NE-OG 2.96Å; R181-S222 VanDerWaalsContact NH2-CA 3.3Å; R181-S222 PolarHBondContact NH2-O 3.35Å; R181-S222 PolarHBondContact NH2-OG 3.14Å; F220-S222 VanDerWaalsContact C-N 3.27Å; F220-S222 PolarHBondContact O-N 3.27Å; S222-D224 PolarHBondContact O-N 3.22Å |
| 223 | S | 59.8 | Low | 76.1 | Confident | 61 Ų | 61 | 71.3 Ų | 71.3 | 43% | 0.427 | 38% | 0.381 | S | S | . | . | trans | -64 | 120.7 | -172 | 152.1 | 0 | 0 | 0 | 0 | 112.1 | I225 D226 | S223-I225 PolarHBondContact O-N 3.33Å; S223-I225 WeakPolarHBondContact OG-CB 3.41Å; S223-I225 VanDerWaalsContact OG-CD1 3.26Å; S223-I225 WeakPolarHBondContact OG-CD1 3.35Å; S223-I225 WeakPolarHBondContact OG-CG1 3.37Å; S223-I225 PolarHBondContact OG-N 2.73Å; S223-D226 PolarHBondContact O-N 3.39Å | ||
| 224 | D | 66.9 | Low | 76.4 | Confident | 82 Ų | 82 | 67.5 Ų | 67.5 | 44% | 0.439 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -16.1 | 174.8 | -60.4 | -35.8 | 0 | 0 | 0 | 112.9 | L215 S222 D226 C227 Y228 | L215-D224 HydrophobicContact CD2-CB 4.44Å; S222-D224 PolarHBondContact O-N 3.22Å; D224-D226 VanDerWaalsContact C-N 3.28Å; D224-D226 PolarHBondContact O-N 3.44Å; D224-C227 WeakPolarHBondContact O-CB 3.21Å; D224-C227 PolarHBondContact O-N 3.38Å; D224-Y228 HydrophobicContact CB-CD2 4.2Å; D224-Y228 HydrophobicContact CB-CE2 3.83Å; D224-Y228 WeakPolarHBondContact O-CD2 3.47Å; D224-Y228 PolarHBondContact O-N 3.37Å; D224-Y228 VanDerWaalsContact O-N 3.08Å |
| 225 | I | 78.8 | Confident | 76.6 | Confident | 109 Ų | 109 | 66.1 Ų | 66.1 | 56% | 0.559 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -55.1 | -40.4 | -179.6 | -56.8 | 172.4 | 0 | 0 | 0 | 111.6 | S223 C227 Y228 R229 | S223-I225 PolarHBondContact O-N 3.33Å; S223-I225 WeakPolarHBondContact OG-CB 3.41Å; S223-I225 VanDerWaalsContact OG-CD1 3.26Å; S223-I225 WeakPolarHBondContact OG-CD1 3.35Å; S223-I225 WeakPolarHBondContact OG-CG1 3.37Å; S223-I225 PolarHBondContact OG-N 2.73Å; I225-C227 VanDerWaalsContact C-N 3.33Å; I225-C227 PolarHBondContact O-N 2.99Å; I225-Y228 PolarHBondContact O-N 3.17Å; I225-R229 HydrophobicContact CG2-CG 4.3Å; I225-R229 WeakPolarHBondContact O-CB 3.24Å; I225-R229 WeakPolarHBondContact O-CD 3.49Å; I225-R229 WeakPolarHBondContact O-CG 3.28Å; I225-R229 PolarHBondContact O-N 3.4Å |
| 226 | D | 80.1 | Confident | 77 | Confident | 58 Ų | 58 | 69.4 Ų | 69.4 | 31% | 0.31 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -70.6 | -31.2 | -179.8 | -80.8 | -27.3 | 0 | 0 | 0 | 112.5 | S223 D224 R229 C230 | S223-D226 PolarHBondContact O-N 3.39Å; D224-D226 VanDerWaalsContact C-N 3.28Å; D224-D226 PolarHBondContact O-N 3.44Å; D226-R229 PolarHBondContact O-N 3.5Å; D226-R229 IonicContact OD1-CZ 2.74Å; D226-R229 IonicContact OD1-NH1 2.64Å; D226-R229 PolarHBondContact OD1-NH1 2.77Å; D226-C230 WeakPolarHBondContact O-CB 3.2Å; D226-C230 PolarHBondContact O-N 2.98Å; D226-C230 PolarHBondContact O-SG 3.11Å |
| 227 | C | 85.1 | Confident | 77.7 | Confident | 19 Ų | 19 | 70.9 Ų | 70.9 | 13% | 0.128 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.8 | -47.3 | 173.4 | -168 | 0 | 0 | 0 | 0 | 110.5 | Y211 L215 D224 I225 R229 C230 L231 | Y211-C227 PolarHBondContact O-SG 3.46Å; L215-C227 HydrophobicContact CD2-CB 3.7Å; D224-C227 WeakPolarHBondContact O-CB 3.21Å; D224-C227 PolarHBondContact O-N 3.38Å; I225-C227 VanDerWaalsContact C-N 3.33Å; I225-C227 PolarHBondContact O-N 2.99Å; C227-R229 VanDerWaalsContact C-N 3.29Å; C227-R229 PolarHBondContact O-N 2.67Å; C227-C230 PolarHBondContact O-N 3.48Å; C227-C230 VanDerWaalsContact O-N 3.15Å; C227-L231 WeakPolarHBondContact O-CB 3.39Å; C227-L231 PolarHBondContact O-N 3.22Å |
| 228 | Y | 87.7 | Confident | 78.8 | Confident | 45 Ų | 45 | 70.8 Ų | 70.8 | 18% | 0.176 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59 | -39.2 | 173.9 | -71.2 | -68 | 0 | 0 | 0 | 112.8 | L215 D224 I225 L231 Y232 D261 I263 A264 | L215-Y228 HydrophobicContact CD1-CD1 4.04Å; L215-Y228 HydrophobicContact CD1-CE1 3.71Å; L215-Y228 HydrophobicContact CD2-CD1 4.26Å; L215-Y228 HydrophobicContact CD2-CD2 4.18Å; L215-Y228 HydrophobicContact CD2-CE1 4.02Å; L215-Y228 HydrophobicContact CD2-CE2 3.91Å; L215-Y228 HydrophobicContact CD2-CG 4.34Å; L215-Y228 HydrophobicContact CG-CE1 4.5Å; D224-Y228 HydrophobicContact CB-CD2 4.2Å; D224-Y228 HydrophobicContact CB-CE2 3.83Å; D224-Y228 WeakPolarHBondContact O-CD2 3.47Å; D224-Y228 PolarHBondContact O-N 3.37Å; D224-Y228 VanDerWaalsContact O-N 3.08Å; I225-Y228 PolarHBondContact O-N 3.17Å; Y228-L231 WeakPolarHBondContact O-CB 3.49Å; Y228-L231 PolarHBondContact O-N 3.26Å; Y228-Y232 WeakPolarHBondContact O-CB 3.19Å; Y228-Y232 PolarHBondContact O-N 2.91Å; Y228-D261 WeakPolarHBondContact CE1-OD2 3.43Å; Y228-D261 VanDerWaalsContact OH-CG 3.26Å; Y228-D261 PolarHBondContact OH-OD1 3.08Å; Y228-D261 VanDerWaalsContact OH-OD1 3.11Å; Y228-D261 PolarHBondContact OH-OD2 3.05Å; Y228-I263 HydrophobicContact CD1-CB 4.19Å; Y228-I263 HydrophobicContact CD1-CG2 3.64Å; Y228-I263 HydrophobicContact CE1-CB 3.64Å; Y228-I263 HydrophobicContact CE1-CG2 3.64Å; Y228-I263 HydrophobicContact CE2-CD1 4.42Å; Y228-I263 HydrophobicContact CG-CG2 4.31Å; Y228-A264 HydrophobicContact CE1-CB 4.4Å |
| 229 | R | 89.8 | Confident | 80.5 | Confident | 127 Ų | 127 | 63.2 Ų | 63.2 | 48% | 0.479 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 176.9 | -72.2 | 167.9 | 80.3 | -164.7 | 13.9 | 111.7 | L184 I225 D226 C227 W233 | L184-R229 HydrophobicContact CD1-CB 4.21Å; L184-R229 HydrophobicContact CD2-CB 4.11Å; L184-R229 HydrophobicContact CG-CB 4.5Å; I225-R229 HydrophobicContact CG2-CG 4.3Å; I225-R229 WeakPolarHBondContact O-CB 3.24Å; I225-R229 WeakPolarHBondContact O-CD 3.49Å; I225-R229 WeakPolarHBondContact O-CG 3.28Å; I225-R229 PolarHBondContact O-N 3.4Å; D226-R229 PolarHBondContact O-N 3.5Å; D226-R229 IonicContact OD1-CZ 2.74Å; D226-R229 IonicContact OD1-NH1 2.64Å; D226-R229 PolarHBondContact OD1-NH1 2.77Å; C227-R229 VanDerWaalsContact C-N 3.29Å; C227-R229 PolarHBondContact O-N 2.67Å; R229-W233 VanDerWaalsContact O-CB 3.29Å; R229-W233 WeakPolarHBondContact O-CB 3.23Å; R229-W233 PolarHBondContact O-N 3.3Å |
| 230 | C | 91 | Very high | 82.5 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 173.6 | -69.2 | 0 | 0 | 0 | 0 | 111.4 | F182 Y211 D226 C227 Y232 W233 L234 | F182-C230 PolarHBondContact O-SG 3.11Å; F182-C230 VanDerWaalsContact O-SG 3.33Å; Y211-C230 HydrophobicContact CD1-CB 3.61Å; Y211-C230 HydrophobicContact CE1-CB 3.23Å; D226-C230 WeakPolarHBondContact O-CB 3.2Å; D226-C230 PolarHBondContact O-N 2.98Å; D226-C230 PolarHBondContact O-SG 3.11Å; C227-C230 PolarHBondContact O-N 3.48Å; C227-C230 VanDerWaalsContact O-N 3.15Å; C230-Y232 PolarHBondContact O-N 3.1Å; C230-W233 CarbonylContact O-C 3.59Å; C230-W233 PolarHBondContact O-N 3.4Å; C230-W233 VanDerWaalsContact O-N 3.08Å; C230-L234 VanDerWaalsContact O-CG 3.28Å; C230-L234 WeakPolarHBondContact O-CG 3.4Å; C230-L234 PolarHBondContact O-N 3.26Å |
| 231 | L | 90.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -54.3 | -52.5 | 174.8 | -173.6 | 76.2 | 0 | 0 | 0 | 110.8 | L208 V212 L215 C227 Y228 W233 L234 L235 A264 M267 | L208-L231 HydrophobicContact CD1-CD1 3.41Å; L208-L231 VanDerWaalsContact CD1-CD1 3.41Å; L208-L231 HydrophobicContact CD1-CG 4.21Å; L208-L231 HydrophobicContact CG-CD1 4.27Å; V212-L231 HydrophobicContact CG2-CD1 3.43Å; V212-L231 VanDerWaalsContact CG2-CD1 3.43Å; V212-L231 HydrophobicContact CG2-CD2 4.24Å; V212-L231 HydrophobicContact CG2-CG 4.5Å; L215-L231 HydrophobicContact CD1-CD2 4.49Å; C227-L231 WeakPolarHBondContact O-CB 3.39Å; C227-L231 PolarHBondContact O-N 3.22Å; Y228-L231 WeakPolarHBondContact O-CB 3.49Å; Y228-L231 PolarHBondContact O-N 3.26Å; L231-W233 VanDerWaalsContact C-N 3.27Å; L231-W233 PolarHBondContact O-N 3.19Å; L231-L234 PolarHBondContact O-N 2.98Å; L231-L235 HydrophobicContact CG-CD1 4.48Å; L231-L235 WeakPolarHBondContact O-CG 3.44Å; L231-L235 PolarHBondContact O-N 2.89Å; L231-A264 HydrophobicContact CD2-CB 4.17Å; L231-M267 HydrophobicContact CB-SD 4.24Å; L231-M267 HydrophobicContact CD2-SD 3.79Å; L231-M267 HydrophobicContact CG-SD 3.97Å |
| 232 | Y | 90.6 | Very high | 86.8 | Confident | 107 Ų | 107 | 52 Ų | 52 | 42% | 0.42 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.9 | -42.7 | 175.2 | 179.3 | -100.4 | 0 | 0 | 0 | 112 | Y228 C230 L235 L236 M267 F271 | Y228-Y232 WeakPolarHBondContact O-CB 3.19Å; Y228-Y232 PolarHBondContact O-N 2.91Å; C230-Y232 PolarHBondContact O-N 3.1Å; Y232-L235 PolarHBondContact O-N 3.38Å; Y232-L236 HydrophobicContact CE1-CD2 4.35Å; Y232-L236 WeakPolarHBondContact O-CB 3.36Å; Y232-L236 PolarHBondContact O-N 3.32Å; Y232-M267 WeakPolarHBondContact CA-SD 3.45Å; Y232-M267 HydrophobicContact CD2-CE 4.32Å; Y232-M267 HydrophobicContact CD2-SD 4.19Å; Y232-M267 HydrophobicContact CG-SD 4.45Å; Y232-M267 PolarHBondContact N-SD 2.96Å; Y232-F271 HydrophobicContact CD2-CE2 4.01Å; Y232-F271 HydrophobicContact CD2-CZ 4.16Å; Y232-F271 AromaticContact CE2-CE2 3.89Å; Y232-F271 HydrophobicContact CE2-CE2 3.89Å; Y232-F271 AromaticContact CE2-CZ 3.81Å; Y232-F271 HydrophobicContact CE2-CZ 3.81Å |
| 233 | W | 93.4 | Very high | 88.9 | Confident | 66 Ų | 66 | 52 Ų | 52 | 25% | 0.25 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.7 | -37.7 | -178.5 | -164.6 | -96 | 0 | 0 | 0 | 113 | L184 K188 R229 C230 L231 L236 N237 | L184-W233 HydrophobicContact CD1-CB 3.86Å; L184-W233 HydrophobicContact CD1-CG 4.12Å; K188-W233 HydrophobicContact CD-CD2 4.4Å; K188-W233 HydrophobicContact CD-CH2 4.44Å; K188-W233 HydrophobicContact CD-CZ2 4.14Å; K188-W233 VanDerWaalsContact CE-CE3 3.46Å; K188-W233 HydrophobicContact CG-CD2 3.93Å; K188-W233 HydrophobicContact CG-CG 4.17Å; K188-W233 HydrophobicContact CG-CZ2 3.89Å; R229-W233 VanDerWaalsContact O-CB 3.29Å; R229-W233 WeakPolarHBondContact O-CB 3.23Å; R229-W233 PolarHBondContact O-N 3.3Å; C230-W233 CarbonylContact O-C 3.59Å; C230-W233 PolarHBondContact O-N 3.4Å; C230-W233 VanDerWaalsContact O-N 3.08Å; L231-W233 VanDerWaalsContact C-N 3.27Å; L231-W233 PolarHBondContact O-N 3.19Å; W233-L236 HydrophobicContact CE3-CD2 3.92Å; W233-L236 HydrophobicContact CH2-CD2 4.32Å; W233-L236 HydrophobicContact CZ3-CD2 3.77Å; W233-L236 PolarHBondContact O-N 2.68Å; W233-N237 PolarHBondContact NE1-ND2 3.14Å; W233-N237 VanDerWaalsContact NE1-ND2 3.15Å; W233-N237 PolarHBondContact O-N 2.91Å; W233-N237 VanDerWaalsContact O-N 3.16Å; W233-N237 PolarHBondContact O-ND2 3.41Å |
| 234 | L | 96 | Very high | 90.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.4 | -50 | 172.8 | -69.2 | 170.3 | 0 | 0 | 0 | 109.9 | L176 L191 V197 P207 L208 Y211 C230 L231 L236 N237 G238 A239 | L176-L234 HydrophobicContact CD1-CD2 4.16Å; L191-L234 HydrophobicContact CD1-CD2 4.27Å; V197-L234 HydrophobicContact CG2-CB 4.21Å; V197-L234 HydrophobicContact CG2-CD2 3.69Å; P207-L234 HydrophobicContact CB-CD1 4.18Å; P207-L234 HydrophobicContact CB-CD2 4.36Å; L208-L234 HydrophobicContact CD1-CB 4.35Å; Y211-L234 HydrophobicContact CD1-CD1 4.23Å; Y211-L234 HydrophobicContact CD2-CD1 4.12Å; Y211-L234 HydrophobicContact CE1-CD1 4.39Å; Y211-L234 HydrophobicContact CE2-CD1 4.19Å; Y211-L234 HydrophobicContact CG-CD1 4.06Å; C230-L234 VanDerWaalsContact O-CG 3.28Å; C230-L234 WeakPolarHBondContact O-CG 3.4Å; C230-L234 PolarHBondContact O-N 3.26Å; L231-L234 PolarHBondContact O-N 2.98Å; L234-L236 PolarHBondContact O-N 2.78Å; L234-N237 CarbonylContact O-C 3.52Å; L234-N237 PolarHBondContact O-N 3.32Å; L234-G238 PolarHBondContact O-N 3.38Å; L234-A239 VanDerWaalsContact C-CB 3.4Å; L234-A239 HydrophobicContact CB-CB 3.89Å; L234-A239 WeakPolarHBondContact O-CB 3.37Å; L234-A239 PolarHBondContact O-N 3.41Å |
| 235 | L | 93.6 | Very high | 91.7 | Very high | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.3 | -45.2 | 177.2 | -71.4 | 169.9 | 0 | 0 | 0 | 112.2 | L208 L231 Y232 N237 G238 P241 M267 L268 F271 | L208-L235 HydrophobicContact CD1-CD1 4.32Å; L208-L235 HydrophobicContact CD1-CD2 3.66Å; L208-L235 HydrophobicContact CD1-CG 3.65Å; L208-L235 HydrophobicContact CD2-CD2 3.68Å; L208-L235 HydrophobicContact CG-CD2 4.36Å; L231-L235 HydrophobicContact CG-CD1 4.48Å; L231-L235 WeakPolarHBondContact O-CG 3.44Å; L231-L235 PolarHBondContact O-N 2.89Å; Y232-L235 PolarHBondContact O-N 3.38Å; L235-N237 PolarHBondContact O-N 2.76Å; L235-G238 PolarHBondContact O-N 3.4Å; L235-P241 HydrophobicContact CD2-CB 4.29Å; L235-M267 HydrophobicContact CD1-CG 3.66Å; L235-M267 HydrophobicContact CD1-SD 3.95Å; L235-L268 HydrophobicContact CD1-CD2 4.38Å; L235-L268 HydrophobicContact CD2-CD2 4.32Å; L235-F271 HydrophobicContact CB-CB 4.37Å; L235-F271 HydrophobicContact CB-CD1 3.68Å; L235-F271 HydrophobicContact CB-CD2 4.09Å; L235-F271 HydrophobicContact CB-CE1 3.86Å; L235-F271 HydrophobicContact CB-CE2 4.26Å; L235-F271 HydrophobicContact CB-CG 3.79Å; L235-F271 HydrophobicContact CB-CZ 4.15Å; L235-F271 HydrophobicContact CD1-CB 4.23Å; L235-F271 HydrophobicContact CD1-CD2 3.85Å; L235-F271 HydrophobicContact CD1-CE2 4.39Å; L235-F271 HydrophobicContact CD1-CG 4.05Å; L235-F271 HydrophobicContact CD2-CB 3.94Å; L235-F271 HydrophobicContact CD2-CG 4.29Å; L235-F271 HydrophobicContact CG-CB 4.42Å; L235-F271 HydrophobicContact CG-CD2 4.49Å; L235-F271 HydrophobicContact CG-CG 4.26Å |
| 236 | L | 93.8 | Very high | 92.2 | Very high | 88 Ų | 88 | 47.7 Ų | 47.7 | 46% | 0.461 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.7 | -27.5 | 176.5 | -169.8 | 71.6 | 0 | 0 | 0 | 112.9 | Y232 W233 L234 | Y232-L236 HydrophobicContact CE1-CD2 4.35Å; Y232-L236 WeakPolarHBondContact O-CB 3.36Å; Y232-L236 PolarHBondContact O-N 3.32Å; W233-L236 HydrophobicContact CE3-CD2 3.92Å; W233-L236 HydrophobicContact CH2-CD2 4.32Å; W233-L236 HydrophobicContact CZ3-CD2 3.77Å; W233-L236 PolarHBondContact O-N 2.68Å; L234-L236 PolarHBondContact O-N 2.78Å |
| 237 | N | 95.4 | Very high | 92 | Very high | 77 Ų | 77 | 52.4 Ų | 52.4 | 41% | 0.412 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 18.6 | 178.2 | -73.1 | -93.3 | 0 | 0 | 0 | 112.9 | L191 W233 L234 L235 | L191-N237 HydrophobicContact CD1-CB 4.29Å; W233-N237 PolarHBondContact NE1-ND2 3.14Å; W233-N237 VanDerWaalsContact NE1-ND2 3.15Å; W233-N237 PolarHBondContact O-N 2.91Å; W233-N237 VanDerWaalsContact O-N 3.16Å; W233-N237 PolarHBondContact O-ND2 3.41Å; L234-N237 CarbonylContact O-C 3.52Å; L234-N237 PolarHBondContact O-N 3.32Å; L235-N237 PolarHBondContact O-N 2.76Å |
| 238 | G | 95.2 | Very high | 91.8 | Very high | 47 Ų | 47 | 58.8 Ų | 58.8 | 49% | 0.485 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | 24.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N198 L234 L235 E240 | N198-G238 PolarHBondContact ND2-O 3.26Å; L234-G238 PolarHBondContact O-N 3.38Å; L235-G238 PolarHBondContact O-N 3.4Å; G238-E240 PolarHBondContact O-N 3.07Å |
| 239 | A | 97.3 | Very high | 91.9 | Very high | 6 Ų | 6 | 60.1 Ų | 60.1 | 5% | 0.05 | 29% | 0.285 | C | S | . | . | trans | -60.8 | 128 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V197 N198 L208 L234 P241 | V197-A239 HydrophobicContact CG2-CB 3.76Å; N198-A239 VanDerWaalsContact OD1-CA 3.28Å; N198-A239 WeakPolarHBondContact OD1-CA 3.39Å; L208-A239 HydrophobicContact CB-CB 4.07Å; L208-A239 HydrophobicContact CD1-CB 4.17Å; L208-A239 HydrophobicContact CD2-CB 4.13Å; L208-A239 HydrophobicContact CG-CB 4.38Å; L234-A239 VanDerWaalsContact C-CB 3.4Å; L234-A239 HydrophobicContact CB-CB 3.89Å; L234-A239 WeakPolarHBondContact O-CB 3.37Å; L234-A239 PolarHBondContact O-N 3.41Å; A239-P241 WeakPolarHBondContact O-CD 3.46Å | ||
| 240 | E | 96.8 | Very high | 91.9 | Very high | 78 Ų | 78 | 56.9 Ų | 56.9 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | trans | -76.4 | 109.1 | -176.6 | 177.6 | 50.7 | -116.4 | 0 | 0 | 111.1 | N198 G238 N242 Q243 | N198-E240 PolarHBondContact OD1-N 3.38Å; G238-E240 PolarHBondContact O-N 3.07Å; E240-N242 PolarHBondContact O-N 3.42Å; E240-N242 VanDerWaalsContact OE1-CB 3.24Å; E240-N242 WeakPolarHBondContact OE1-CB 3.14Å; E240-N242 PolarHBondContact OE1-N 2.93Å; E240-N242 PolarHBondContact OE1-ND2 3.11Å; E240-Q243 HydrophobicContact CB-CB 4.26Å; E240-Q243 HydrophobicContact CG-CB 4.1Å; E240-Q243 PolarHBondContact O-N 3.3Å | ||
| 241 | P | 94.6 | Very high | 92.1 | Very high | 8 Ų | 8 | 57 Ų | 57 | 5% | 0.052 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -15.1 | -177.8 | 31 | -37.8 | 0 | 0 | 0 | 114.1 | L208 L235 A239 P252 L268 A273 | L208-P241 HydrophobicContact CD2-CB 4.27Å; L235-P241 HydrophobicContact CD2-CB 4.29Å; A239-P241 WeakPolarHBondContact O-CD 3.46Å; P241-P252 VanDerWaalsContact O-CD 3.23Å; P241-P252 WeakPolarHBondContact O-CD 3.44Å; P241-P252 WeakPolarHBondContact O-CG 3.35Å; P241-L268 HydrophobicContact CB-CD2 4.21Å; P241-A273 HydrophobicContact CB-CB 4.01Å |
| 242 | N | 95 | Very high | 92.3 | Very high | 43 Ų | 43 | 57 Ų | 57 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 4.5 | -179 | -58.2 | -54.7 | 0 | 0 | 0 | 113.7 | E240 L244 G272 A273 D274 L277 | E240-N242 PolarHBondContact O-N 3.42Å; E240-N242 VanDerWaalsContact OE1-CB 3.24Å; E240-N242 WeakPolarHBondContact OE1-CB 3.14Å; E240-N242 PolarHBondContact OE1-N 2.93Å; E240-N242 PolarHBondContact OE1-ND2 3.11Å; N242-L244 PolarHBondContact O-N 3.11Å; N242-L244 VanDerWaalsContact O-N 3.12Å; N242-G272 PolarHBondContact ND2-O 3.27Å; N242-A273 WeakPolarHBondContact OD1-CA 3.35Å; N242-D274 WeakPolarHBondContact OD1-CB 3.29Å; N242-D274 PolarHBondContact OD1-N 2.82Å; N242-L277 HydrophobicContact CB-CD2 4.09Å; N242-L277 WeakPolarHBondContact O-CD2 3.26Å |
| 243 | Q | 95.5 | Very high | 92.5 | Very high | 62 Ų | 62 | 51.9 Ų | 51.9 | 29% | 0.29 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 116.6 | 177.9 | -179.9 | 58.3 | 54.7 | 0 | 0 | 110.3 | L200 E240 P252 | L200-Q243 HydrophobicContact CD2-CG 3.67Å; E240-Q243 HydrophobicContact CB-CB 4.26Å; E240-Q243 HydrophobicContact CG-CB 4.1Å; E240-Q243 PolarHBondContact O-N 3.3Å; Q243-P252 VanDerWaalsContact O-CD 3.31Å; Q243-P252 WeakPolarHBondContact O-CD 3.43Å |
| 244 | L | 93.3 | Very high | 92.5 | Very high | 43 Ų | 43 | 48.9 Ų | 48.9 | 23% | 0.225 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -82.4 | 139.7 | 179.1 | -61.9 | -177.3 | 0 | 0 | 0 | 110.9 | N242 L249 L277 | N242-L244 PolarHBondContact O-N 3.11Å; N242-L244 VanDerWaalsContact O-N 3.12Å; L244-L249 HydrophobicContact CB-CD2 4.35Å; L244-L249 HydrophobicContact CD1-CB 4.26Å; L244-L249 HydrophobicContact CD1-CD2 4.35Å; L244-L249 WeakPolarHBondContact CD2-O 3.49Å; L244-L277 HydrophobicContact CD1-CD2 4.27Å; L244-L277 HydrophobicContact CD1-CG 4.4Å; L244-L277 HydrophobicContact CD2-CD2 3.33Å; L244-L277 HydrophobicContact CD2-CG 3.97Å; L244-L277 HydrophobicContact CG-CD2 3.89Å |
| 245 | C | 92.4 | Very high | 92.4 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.034 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 149.4 | 166.4 | 72.1 | 0 | 0 | 0 | 0 | 111.1 | G204 Q205 F209 Y247 L249 R250 | G204-C245 WeakPolarHBondContact O-CA 3.47Å; Q205-C245 HydrophobicContact CG-CB 4.19Å; F209-C245 HydrophobicContact CD2-CB 4.2Å; F209-C245 HydrophobicContact CE1-CB 4.31Å; F209-C245 HydrophobicContact CE2-CB 3.83Å; F209-C245 HydrophobicContact CZ-CB 3.9Å; C245-Y247 PolarHBondContact O-N 3.12Å; C245-L249 WeakPolarHBondContact O-CA 3.45Å; C245-L249 PolarHBondContact O-N 3.32Å; C245-R250 PolarHBondContact N-O 3.16Å |
| 246 | L | 88 | Confident | 92.4 | Very high | 115 Ų | 115 | 48.7 Ų | 48.7 | 60% | 0.602 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68 | -40.2 | -169.6 | -76.4 | 168.2 | 0 | 0 | 0 | 114 | F203 | F203-L246 PolarHBondContact O-N 2.79Š|
| 247 | Y | 77.4 | Confident | 92.2 | Very high | 156 Ų | 156 | 44.5 Ų | 44.5 | 61% | 0.612 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -35.9 | -167.6 | -73.7 | -82.9 | 0 | 0 | 0 | 114.8 | F203 C245 | F203-Y247 HydrophobicContact CB-CD2 4.28Å; F203-Y247 HydrophobicContact CB-CE2 4.1Å; F203-Y247 HydrophobicContact CD1-CD2 4.05Å; F203-Y247 AromaticContact CD1-CE2 3.42Å; F203-Y247 HydrophobicContact CD1-CE2 3.42Å; F203-Y247 VanDerWaalsContact CD1-CE2 3.42Å; F203-Y247 HydrophobicContact CE1-CE2 4.25Å; F203-Y247 HydrophobicContact CG-CE2 4.18Å; C245-Y247 PolarHBondContact O-N 3.12Å |
| 248 | Y | 80.3 | Confident | 92 | Very high | 154 Ų | 154 | 43 Ų | 43 | 60% | 0.604 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | -1.5 | -178 | -57.5 | -70.3 | 0 | 0 | 0 | 112.9 | R250 S280 | Y248-R250 PolarHBondContact O-N 3.17Å; Y248-R250 VanDerWaalsContact O-N 3.11Å; Y248-S280 PolarHBondContact O-N 3Å; Y248-S280 VanDerWaalsContact O-N 3.1Å; Y248-S280 PolarHBondContact O-OG 3.15Å |
| 249 | L | 88.7 | Confident | 91.8 | Very high | 73 Ų | 73 | 43 Ų | 43 | 38% | 0.382 | 20% | 0.204 | S | C | . | . | trans | 48.2 | 36.9 | -172.4 | -61.2 | 178 | 0 | 0 | 0 | 111.8 | L244 C245 D279 | L244-L249 HydrophobicContact CB-CD2 4.35Å; L244-L249 HydrophobicContact CD1-CB 4.26Å; L244-L249 HydrophobicContact CD1-CD2 4.35Å; L244-L249 WeakPolarHBondContact CD2-O 3.49Å; C245-L249 WeakPolarHBondContact O-CA 3.45Å; C245-L249 PolarHBondContact O-N 3.32Å; L249-D279 WeakPolarHBondContact O-CA 3.38Å | ||
| 250 | R | 91.2 | Very high | 91.3 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 22% | 0.223 | 22% | 0.224 | C | C | . | . | trans | -86.9 | 132.9 | 178 | -76 | -167.1 | 178.6 | -166.4 | 0.4 | 110.2 | F209 C245 Y248 A254 V255 C258 D279 | F209-R250 HydrophobicContact CE2-CB 4.25Å; F209-R250 WeakPolarHBondContact CE2-O 3.44Å; C245-R250 PolarHBondContact N-O 3.16Å; Y248-R250 PolarHBondContact O-N 3.17Å; Y248-R250 VanDerWaalsContact O-N 3.11Å; R250-A254 HydrophobicContact CB-CB 4.48Å; R250-V255 HydrophobicContact CB-CG2 4.12Å; R250-C258 PolarHBondContact NH1-SG 3.15Å; R250-D279 HydrophobicContact CG-CB 4.21Å | ||
| 251 | S | 94.3 | Very high | 91 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | trans | -77 | 157.1 | 167.2 | 66.4 | 0 | 0 | 0 | 0 | 111.1 | L253 A254 V255 | S251-L253 PolarHBondContact O-N 3.34Å; S251-A254 PolarHBondContact O-N 3.08Å; S251-A254 VanDerWaalsContact O-N 3.11Å; S251-A254 PolarHBondContact OG-N 2.91Å; S251-A254 VanDerWaalsContact OG-N 3.11Å; S251-V255 PolarHBondContact O-N 3.46Å; S251-V255 VanDerWaalsContact O-N 3.1Å | ||
| 252 | P | 96.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -45.9 | -42.6 | 165.7 | -30.6 | 33.5 | 0 | 0 | 0 | 113 | L208 F209 V212 P241 Q243 V255 A256 L268 | L208-P252 HydrophobicContact CD2-CB 4.4Å; L208-P252 HydrophobicContact CD2-CG 4.07Å; L208-P252 HydrophobicContact CG-CG 4.39Å; F209-P252 HydrophobicContact CB-CG 4.38Å; V212-P252 HydrophobicContact CG2-CB 4.29Å; P241-P252 VanDerWaalsContact O-CD 3.23Å; P241-P252 WeakPolarHBondContact O-CD 3.44Å; P241-P252 WeakPolarHBondContact O-CG 3.35Å; Q243-P252 VanDerWaalsContact O-CD 3.31Å; Q243-P252 WeakPolarHBondContact O-CD 3.43Å; P252-V255 PolarHBondContact O-N 3.3Å; P252-A256 PolarHBondContact O-N 2.8Å; P252-L268 HydrophobicContact CB-CD1 3.95Å; P252-L268 HydrophobicContact CB-CD2 3.85Å |
| 253 | L | 94 | Very high | 89.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.4 | -44.9 | 179 | 178.9 | 63.3 | 0 | 0 | 0 | 112.1 | S251 V255 A256 I257 V265 L268 L269 A273 P275 P285 | S251-L253 PolarHBondContact O-N 3.34Å; L253-V255 VanDerWaalsContact C-N 3.27Å; L253-V255 PolarHBondContact O-N 3.42Å; L253-A256 PolarHBondContact O-N 2.92Å; L253-I257 HydrophobicContact CD1-CD1 4.12Å; L253-I257 HydrophobicContact CD1-CG1 4.36Å; L253-I257 HydrophobicContact CG-CD1 3.99Å; L253-I257 VanDerWaalsContact O-CG1 3.26Å; L253-I257 WeakPolarHBondContact O-CG1 3.22Å; L253-I257 PolarHBondContact O-N 2.81Å; L253-V265 HydrophobicContact CD1-CB 4.43Å; L253-V265 HydrophobicContact CD1-CG1 3.98Å; L253-V265 HydrophobicContact CD1-CG2 4.35Å; L253-L268 HydrophobicContact CB-CD1 4.47Å; L253-L268 HydrophobicContact CD1-CB 4.41Å; L253-L269 HydrophobicContact CD1-CD2 4.11Å; L253-L269 HydrophobicContact CD1-CG 4Å; L253-L269 HydrophobicContact CD2-CD2 3.72Å; L253-A273 HydrophobicContact CB-CB 3.97Å; L253-A273 HydrophobicContact CD2-CB 3.97Å; L253-A273 HydrophobicContact CG-CB 4.4Å; L253-P275 HydrophobicContact CD2-CB 4.31Å; L253-P285 HydrophobicContact CD2-CB 3.99Å; L253-P285 HydrophobicContact CD2-CG 4.08Å; L253-P285 HydrophobicContact CG-CB 4.26Å; L253-P285 HydrophobicContact CG-CG 4.44Å |
| 254 | A | 93.7 | Very high | 89.6 | Confident | 3 Ų | 3 | 45 Ų | 45 | 3% | 0.025 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.2 | -37.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | R250 S251 C258 L288 | R250-A254 HydrophobicContact CB-CB 4.48Å; S251-A254 PolarHBondContact O-N 3.08Å; S251-A254 VanDerWaalsContact O-N 3.11Å; S251-A254 PolarHBondContact OG-N 2.91Å; S251-A254 VanDerWaalsContact OG-N 3.11Å; A254-C258 PolarHBondContact O-N 2.98Å; A254-C258 PolarHBondContact O-SG 3.44Å; A254-C258 VanDerWaalsContact O-SG 3.4Å; A254-L288 HydrophobicContact CB-CD1 3.73Å |
| 255 | V | 93.9 | Very high | 89.3 | Confident | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.03 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.1 | -48.9 | 175.3 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | F209 V212 H213 R250 S251 P252 L253 I257 C258 N259 | F209-V255 HydrophobicContact CD2-CG2 4.27Å; F209-V255 HydrophobicContact CE2-CG2 3.47Å; F209-V255 VanDerWaalsContact CE2-CG2 3.47Å; F209-V255 HydrophobicContact CZ-CG2 3.79Å; V212-V255 HydrophobicContact CG1-CB 4.14Å; V212-V255 HydrophobicContact CG1-CG1 4.02Å; H213-V255 HydrophobicContact CB-CG1 4.24Å; R250-V255 HydrophobicContact CB-CG2 4.12Å; S251-V255 PolarHBondContact O-N 3.46Å; S251-V255 VanDerWaalsContact O-N 3.1Å; P252-V255 PolarHBondContact O-N 3.3Å; L253-V255 VanDerWaalsContact C-N 3.27Å; L253-V255 PolarHBondContact O-N 3.42Å; V255-I257 PolarHBondContact O-N 3.06Å; V255-C258 PolarHBondContact O-N 3.45Å; V255-C258 VanDerWaalsContact O-N 3.11Å; V255-N259 WeakPolarHBondContact O-CB 3.44Å; V255-N259 PolarHBondContact O-N 3.46Å; V255-N259 PolarHBondContact O-OD1 3.38Å |
| 256 | A | 93.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.2 | -40.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V212 P252 L253 N259 E260 D261 A264 V265 L268 | V212-A256 HydrophobicContact CG1-CB 3.72Å; P252-A256 PolarHBondContact O-N 2.8Å; L253-A256 PolarHBondContact O-N 2.92Å; A256-N259 CarbonylContact O-C 3.55Å; A256-N259 PolarHBondContact O-N 2.93Å; A256-E260 PolarHBondContact O-N 3.38Å; A256-D261 PolarHBondContact O-N 3.36Å; A256-A264 HydrophobicContact CB-CB 3.82Å; A256-V265 HydrophobicContact CB-CG2 3.73Å; A256-L268 HydrophobicContact CB-CD1 3.88Å |
| 257 | I | 90.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.9 | -48 | 175.7 | -69.7 | 169.9 | 0 | 0 | 0 | 111.4 | L253 V255 N259 E260 V265 P285 L288 A289 T292 I297 L301 | L253-I257 HydrophobicContact CD1-CD1 4.12Å; L253-I257 HydrophobicContact CD1-CG1 4.36Å; L253-I257 HydrophobicContact CG-CD1 3.99Å; L253-I257 VanDerWaalsContact O-CG1 3.26Å; L253-I257 WeakPolarHBondContact O-CG1 3.22Å; L253-I257 PolarHBondContact O-N 2.81Å; V255-I257 PolarHBondContact O-N 3.06Å; I257-N259 PolarHBondContact O-N 3.34Å; I257-E260 WeakPolarHBondContact O-CA 3.32Å; I257-E260 PolarHBondContact O-N 2.98Å; I257-V265 HydrophobicContact CG1-CG2 3.67Å; I257-P285 HydrophobicContact CD1-CB 3.59Å; I257-P285 WeakPolarHBondContact CD1-O 3.33Å; I257-L288 HydrophobicContact CG2-CB 3.89Å; I257-A289 HydrophobicContact CD1-CB 4.46Å; I257-A289 VanDerWaalsContact CG2-CA 3.42Å; I257-A289 HydrophobicContact CG2-CB 3.75Å; I257-A289 VanDerWaalsContact CG2-N 3.33Å; I257-T292 HydrophobicContact CG2-CG2 4.31Å; I257-T292 WeakPolarHBondContact O-CG2 3.2Å; I257-I297 HydrophobicContact CG1-CG2 3.93Å; I257-I297 HydrophobicContact CG2-CG2 4.38Å; I257-L301 HydrophobicContact CD1-CD1 4.09Å; I257-L301 HydrophobicContact CD1-CD2 4.4Å |
| 258 | C | 91 | Very high | 89.4 | Confident | 46 Ų | 46 | 33.4 Ų | 33.4 | 31% | 0.311 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.9 | -29.3 | 177.2 | -74.1 | 0 | 0 | 0 | 0 | 113 | R250 A254 V255 E260 | R250-C258 PolarHBondContact NH1-SG 3.15Å; A254-C258 PolarHBondContact O-N 2.98Å; A254-C258 PolarHBondContact O-SG 3.44Å; A254-C258 VanDerWaalsContact O-SG 3.4Å; V255-C258 PolarHBondContact O-N 3.45Å; V255-C258 VanDerWaalsContact O-N 3.11Å; C258-E260 PolarHBondContact O-N 3.42Å |
| 259 | N | 90.3 | Very high | 89.7 | Confident | 47 Ų | 47 | 26.5 Ų | 26.5 | 25% | 0.251 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -3.3 | 175.2 | -66.8 | -4 | 0 | 0 | 0 | 112.7 | V212 S216 V255 A256 I257 D261 | V212-N259 PolarHBondContact O-ND2 3.37Å; S216-N259 WeakPolarHBondContact CB-ND2 3.36Å; S216-N259 PolarHBondContact OG-ND2 3.42Å; S216-N259 PolarHBondContact OG-OD1 3.25Å; V255-N259 WeakPolarHBondContact O-CB 3.44Å; V255-N259 PolarHBondContact O-N 3.46Å; V255-N259 PolarHBondContact O-OD1 3.38Å; A256-N259 CarbonylContact O-C 3.55Å; A256-N259 PolarHBondContact O-N 2.93Å; I257-N259 PolarHBondContact O-N 3.34Å; N259-D261 HydrophobicContact CB-CB 4.36Å; N259-D261 PolarHBondContact O-N 2.93Å; N259-D261 VanDerWaalsContact O-N 3.16Å |
| 260 | E | 87 | Confident | 89.5 | Confident | 100 Ų | 100 | 26.9 Ų | 26.9 | 47% | 0.467 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 26.6 | -174.4 | -59 | -170.3 | -138.2 | 0 | 0 | 113.8 | A256 I257 C258 V262 T292 | A256-E260 PolarHBondContact O-N 3.38Å; I257-E260 WeakPolarHBondContact O-CA 3.32Å; I257-E260 PolarHBondContact O-N 2.98Å; C258-E260 PolarHBondContact O-N 3.42Å; E260-V262 PolarHBondContact O-N 3.33Å; E260-T292 HydrophobicContact CG-CG2 3.93Å |
| 261 | D | 89.3 | Confident | 89.3 | Confident | 14 Ų | 14 | 27.5 Ų | 27.5 | 8% | 0.075 | 15% | 0.154 | C | C | . | . | trans | -86 | 95 | -175.8 | -174.4 | -20.5 | 0 | 0 | 0 | 111.3 | L215 Y228 A256 N259 I263 A264 V265 | L215-D261 VanDerWaalsContact CD1-OD2 3.3Å; L215-D261 WeakPolarHBondContact CD1-OD2 3.45Å; Y228-D261 WeakPolarHBondContact CE1-OD2 3.43Å; Y228-D261 VanDerWaalsContact OH-CG 3.26Å; Y228-D261 PolarHBondContact OH-OD1 3.08Å; Y228-D261 VanDerWaalsContact OH-OD1 3.11Å; Y228-D261 PolarHBondContact OH-OD2 3.05Å; A256-D261 PolarHBondContact O-N 3.36Å; N259-D261 HydrophobicContact CB-CB 4.36Å; N259-D261 PolarHBondContact O-N 2.93Å; N259-D261 VanDerWaalsContact O-N 3.16Å; D261-I263 PolarHBondContact O-N 2.82Å; D261-I263 PolarHBondContact OD1-N 3.25Å; D261-A264 HydrophobicContact CB-CB 4.03Å; D261-A264 VanDerWaalsContact CG-CB 3.42Å; D261-A264 PolarHBondContact O-N 3.2Å; D261-A264 PolarHBondContact OD1-N 3.27Å; D261-A264 WeakPolarHBondContact OD2-CB 3.28Å; D261-V265 WeakPolarHBondContact O-CB 3.36Å; D261-V265 VanDerWaalsContact O-CG2 3.23Å; D261-V265 WeakPolarHBondContact O-CG2 3.3Å; D261-V265 PolarHBondContact O-N 2.89Å | ||
| 262 | V | 82 | Confident | 89 | Confident | 30 Ų | 30 | 29.8 Ų | 29.8 | 18% | 0.182 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62 | -30.8 | -178.5 | -178.4 | 0 | 0 | 0 | 0 | 112.6 | E260 S266 Q296 I297 Q300 | E260-V262 PolarHBondContact O-N 3.33Å; V262-S266 WeakPolarHBondContact O-CB 3.16Å; V262-S266 PolarHBondContact O-N 2.97Å; V262-S266 VanDerWaalsContact O-N 3.17Å; V262-Q296 HydrophobicContact CG1-CB 3.82Å; V262-Q296 HydrophobicContact CG2-CB 3.97Å; V262-I297 HydrophobicContact CG2-CG1 4.07Å; V262-Q300 VanDerWaalsContact CG1-NE2 3.33Å; V262-Q300 PolarHBondContact O-NE2 2.95Å; V262-Q300 PolarHBondContact O-OE1 3.4Å |
| 263 | I | 84.4 | Confident | 88.7 | Confident | 94 Ų | 94 | 30.1 Ų | 30.1 | 48% | 0.482 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -76.9 | -48.3 | -177.9 | -61.2 | 175 | 0 | 0 | 0 | 109.2 | Y228 D261 V265 S266 M267 | Y228-I263 HydrophobicContact CD1-CB 4.19Å; Y228-I263 HydrophobicContact CD1-CG2 3.64Å; Y228-I263 HydrophobicContact CE1-CB 3.64Å; Y228-I263 HydrophobicContact CE1-CG2 3.64Å; Y228-I263 HydrophobicContact CE2-CD1 4.42Å; Y228-I263 HydrophobicContact CG-CG2 4.31Å; D261-I263 PolarHBondContact O-N 2.82Å; D261-I263 PolarHBondContact OD1-N 3.25Å; I263-V265 PolarHBondContact O-N 3.31Å; I263-S266 PolarHBondContact O-N 2.98Å; I263-M267 WeakPolarHBondContact O-CB 3.38Å; I263-M267 PolarHBondContact O-N 3.19Å |
| 264 | A | 89.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L215 Y228 L231 A256 D261 M267 L268 | L215-A264 HydrophobicContact CD1-CB 4.14Å; Y228-A264 HydrophobicContact CE1-CB 4.4Å; L231-A264 HydrophobicContact CD2-CB 4.17Å; A256-A264 HydrophobicContact CB-CB 3.82Å; D261-A264 HydrophobicContact CB-CB 4.03Å; D261-A264 VanDerWaalsContact CG-CB 3.42Å; D261-A264 PolarHBondContact O-N 3.2Å; D261-A264 PolarHBondContact OD1-N 3.27Å; D261-A264 WeakPolarHBondContact OD2-CB 3.28Å; A264-M267 PolarHBondContact O-N 3.49Å; A264-L268 WeakPolarHBondContact O-CB 3.22Å; A264-L268 WeakPolarHBondContact O-CD1 3.48Å; A264-L268 WeakPolarHBondContact O-CG 3.41Å; A264-L268 PolarHBondContact O-N 3.34Å |
| 265 | V | 87.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.3 | -51.9 | 174.6 | 171.9 | 0 | 0 | 0 | 0 | 111 | L253 A256 I257 D261 I263 M267 L268 L269 I297 Q300 | L253-V265 HydrophobicContact CD1-CB 4.43Å; L253-V265 HydrophobicContact CD1-CG1 3.98Å; L253-V265 HydrophobicContact CD1-CG2 4.35Å; A256-V265 HydrophobicContact CB-CG2 3.73Å; I257-V265 HydrophobicContact CG1-CG2 3.67Å; D261-V265 WeakPolarHBondContact O-CB 3.36Å; D261-V265 VanDerWaalsContact O-CG2 3.23Å; D261-V265 WeakPolarHBondContact O-CG2 3.3Å; D261-V265 PolarHBondContact O-N 2.89Å; I263-V265 PolarHBondContact O-N 3.31Å; V265-M267 VanDerWaalsContact C-N 3.29Å; V265-M267 PolarHBondContact O-N 3.28Å; V265-L268 PolarHBondContact O-N 2.99Å; V265-L269 HydrophobicContact CG1-CD1 3.71Å; V265-L269 HydrophobicContact CG1-CG 4.38Å; V265-L269 WeakPolarHBondContact O-CB 3.49Å; V265-L269 WeakPolarHBondContact O-CG 3.47Å; V265-L269 PolarHBondContact O-N 3.17Å; V265-I297 HydrophobicContact CG1-CG2 4.3Å; V265-I297 HydrophobicContact CG2-CD1 4.22Å; V265-I297 HydrophobicContact CG2-CG1 4.33Å; V265-I297 HydrophobicContact CG2-CG2 4.46Å; V265-Q300 VanDerWaalsContact CG1-OE1 3.22Å |
| 266 | S | 84.7 | Confident | 87 | Confident | 45 Ų | 45 | 37.6 Ų | 37.6 | 32% | 0.315 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -55.9 | -45.7 | 178.6 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | V262 I263 S270 | V262-S266 WeakPolarHBondContact O-CB 3.16Å; V262-S266 PolarHBondContact O-N 2.97Å; V262-S266 VanDerWaalsContact O-N 3.17Å; I263-S266 PolarHBondContact O-N 2.98Å; S266-S270 WeakPolarHBondContact O-CB 3.46Å; S266-S270 PolarHBondContact O-N 3.37Å; S266-S270 PolarHBondContact O-OG 2.94Å |
| 267 | M | 84.9 | Confident | 86.7 | Confident | 30 Ų | 30 | 39.9 Ų | 39.9 | 15% | 0.148 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65 | -50.1 | -178.9 | -167.4 | -180 | -66.1 | 0 | 0 | 111.1 | L231 Y232 L235 I263 A264 V265 L269 S270 F271 | L231-M267 HydrophobicContact CB-SD 4.24Å; L231-M267 HydrophobicContact CD2-SD 3.79Å; L231-M267 HydrophobicContact CG-SD 3.97Å; Y232-M267 WeakPolarHBondContact CA-SD 3.45Å; Y232-M267 HydrophobicContact CD2-CE 4.32Å; Y232-M267 HydrophobicContact CD2-SD 4.19Å; Y232-M267 HydrophobicContact CG-SD 4.45Å; Y232-M267 PolarHBondContact N-SD 2.96Å; L235-M267 HydrophobicContact CD1-CG 3.66Å; L235-M267 HydrophobicContact CD1-SD 3.95Å; I263-M267 WeakPolarHBondContact O-CB 3.38Å; I263-M267 PolarHBondContact O-N 3.19Å; A264-M267 PolarHBondContact O-N 3.49Å; V265-M267 VanDerWaalsContact C-N 3.29Å; V265-M267 PolarHBondContact O-N 3.28Å; M267-L269 PolarHBondContact O-N 3.09Å; M267-S270 WeakPolarHBondContact O-CB 3.26Å; M267-S270 PolarHBondContact O-N 2.71Å; M267-F271 HydrophobicContact CG-CD2 4.34Å; M267-F271 HydrophobicContact CG-CE2 4.39Å; M267-F271 VanDerWaalsContact O-CD2 3.32Å; M267-F271 WeakPolarHBondContact O-CD2 3.48Å; M267-F271 PolarHBondContact O-N 3.41Å |
| 268 | L | 91 | Very high | 86.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -45 | -179.8 | -71.6 | 167.1 | 0 | 0 | 0 | 112.1 | L208 V212 L235 P241 P252 L253 A256 A264 V265 S270 F271 G272 A273 | L208-L268 HydrophobicContact CD1-CD2 4.47Å; L208-L268 HydrophobicContact CD2-CD2 4.1Å; L208-L268 HydrophobicContact CG-CD2 4.43Å; V212-L268 HydrophobicContact CG2-CD1 4.1Å; L235-L268 HydrophobicContact CD1-CD2 4.38Å; L235-L268 HydrophobicContact CD2-CD2 4.32Å; P241-L268 HydrophobicContact CB-CD2 4.21Å; P252-L268 HydrophobicContact CB-CD1 3.95Å; P252-L268 HydrophobicContact CB-CD2 3.85Å; L253-L268 HydrophobicContact CB-CD1 4.47Å; L253-L268 HydrophobicContact CD1-CB 4.41Å; A256-L268 HydrophobicContact CB-CD1 3.88Å; A264-L268 WeakPolarHBondContact O-CB 3.22Å; A264-L268 WeakPolarHBondContact O-CD1 3.48Å; A264-L268 WeakPolarHBondContact O-CG 3.41Å; A264-L268 PolarHBondContact O-N 3.34Å; V265-L268 PolarHBondContact O-N 2.99Å; L268-S270 VanDerWaalsContact C-N 3.31Å; L268-S270 PolarHBondContact O-N 3.16Å; L268-F271 CarbonylContact O-C 3.53Å; L268-F271 PolarHBondContact O-N 2.98Å; L268-F271 VanDerWaalsContact O-N 3.12Å; L268-G272 PolarHBondContact O-N 3.27Å; L268-A273 VanDerWaalsContact C-CB 3.48Å; L268-A273 HydrophobicContact CB-CB 3.86Å; L268-A273 WeakPolarHBondContact O-CB 3.42Å; L268-A273 PolarHBondContact O-N 3.36Å |
| 269 | L | 85.1 | Confident | 86.4 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.6 | -39.4 | 176.6 | -70 | 171 | 0 | 0 | 0 | 112 | L253 V265 M267 F271 G272 Q300 L301 H304 | L253-L269 HydrophobicContact CD1-CD2 4.11Å; L253-L269 HydrophobicContact CD1-CG 4Å; L253-L269 HydrophobicContact CD2-CD2 3.72Å; V265-L269 HydrophobicContact CG1-CD1 3.71Å; V265-L269 HydrophobicContact CG1-CG 4.38Å; V265-L269 WeakPolarHBondContact O-CB 3.49Å; V265-L269 WeakPolarHBondContact O-CG 3.47Å; V265-L269 PolarHBondContact O-N 3.17Å; M267-L269 PolarHBondContact O-N 3.09Å; L269-F271 PolarHBondContact O-N 3.22Å; L269-G272 PolarHBondContact O-N 3.08Å; L269-Q300 HydrophobicContact CD1-CB 4.11Å; L269-L301 HydrophobicContact CD1-CD2 3.99Å; L269-L301 HydrophobicContact CD2-CD2 4.1Å; L269-H304 HydrophobicContact CD1-CB 4.45Å; L269-H304 HydrophobicContact CD2-CB 4.28Å |
| 270 | S | 86 | Confident | 86.4 | Confident | 81 Ų | 81 | 42.1 Ų | 42.1 | 57% | 0.566 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -65 | -22.4 | 176.9 | -59.3 | 0 | 0 | 0 | 0 | 113.4 | S266 M267 L268 | S266-S270 WeakPolarHBondContact O-CB 3.46Å; S266-S270 PolarHBondContact O-N 3.37Å; S266-S270 PolarHBondContact O-OG 2.94Å; M267-S270 WeakPolarHBondContact O-CB 3.26Å; M267-S270 PolarHBondContact O-N 2.71Å; L268-S270 VanDerWaalsContact C-N 3.31Å; L268-S270 PolarHBondContact O-N 3.16Å |
| 271 | F | 86.9 | Confident | 86.5 | Confident | 73 Ų | 73 | 43.1 Ų | 43.1 | 32% | 0.32 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 14.3 | 177.5 | -79.5 | -94.2 | 0 | 0 | 0 | 113.4 | Y232 L235 M267 L268 L269 | Y232-F271 HydrophobicContact CD2-CE2 4.01Å; Y232-F271 HydrophobicContact CD2-CZ 4.16Å; Y232-F271 AromaticContact CE2-CE2 3.89Å; Y232-F271 HydrophobicContact CE2-CE2 3.89Å; Y232-F271 AromaticContact CE2-CZ 3.81Å; Y232-F271 HydrophobicContact CE2-CZ 3.81Å; L235-F271 HydrophobicContact CB-CB 4.37Å; L235-F271 HydrophobicContact CB-CD1 3.68Å; L235-F271 HydrophobicContact CB-CD2 4.09Å; L235-F271 HydrophobicContact CB-CE1 3.86Å; L235-F271 HydrophobicContact CB-CE2 4.26Å; L235-F271 HydrophobicContact CB-CG 3.79Å; L235-F271 HydrophobicContact CB-CZ 4.15Å; L235-F271 HydrophobicContact CD1-CB 4.23Å; L235-F271 HydrophobicContact CD1-CD2 3.85Å; L235-F271 HydrophobicContact CD1-CE2 4.39Å; L235-F271 HydrophobicContact CD1-CG 4.05Å; L235-F271 HydrophobicContact CD2-CB 3.94Å; L235-F271 HydrophobicContact CD2-CG 4.29Å; L235-F271 HydrophobicContact CG-CB 4.42Å; L235-F271 HydrophobicContact CG-CD2 4.49Å; L235-F271 HydrophobicContact CG-CG 4.26Å; M267-F271 HydrophobicContact CG-CD2 4.34Å; M267-F271 HydrophobicContact CG-CE2 4.39Å; M267-F271 VanDerWaalsContact O-CD2 3.32Å; M267-F271 WeakPolarHBondContact O-CD2 3.48Å; M267-F271 PolarHBondContact O-N 3.41Å; L268-F271 CarbonylContact O-C 3.53Å; L268-F271 PolarHBondContact O-N 2.98Å; L268-F271 VanDerWaalsContact O-N 3.12Å; L269-F271 PolarHBondContact O-N 3.22Å |
| 272 | G | 86.9 | Confident | 86.3 | Confident | 49 Ų | 49 | 45 Ų | 45 | 51% | 0.505 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | 24.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | N242 L268 L269 D274 | N242-G272 PolarHBondContact ND2-O 3.27Å; L268-G272 PolarHBondContact O-N 3.27Å; L269-G272 PolarHBondContact O-N 3.08Å; G272-D274 PolarHBondContact O-N 3.47Å |
| 273 | A | 90.1 | Very high | 86.5 | Confident | 7 Ų | 7 | 46 Ų | 46 | 6% | 0.058 | 28% | 0.276 | C | S | . | . | trans | -62.5 | 127.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111 | P241 N242 L253 L268 P275 | P241-A273 HydrophobicContact CB-CB 4.01Å; N242-A273 WeakPolarHBondContact OD1-CA 3.35Å; L253-A273 HydrophobicContact CB-CB 3.97Å; L253-A273 HydrophobicContact CD2-CB 3.97Å; L253-A273 HydrophobicContact CG-CB 4.4Å; L268-A273 VanDerWaalsContact C-CB 3.48Å; L268-A273 HydrophobicContact CB-CB 3.86Å; L268-A273 WeakPolarHBondContact O-CB 3.42Å; L268-A273 PolarHBondContact O-N 3.36Å; A273-P275 WeakPolarHBondContact O-CD 3.46Å | ||
| 274 | D | 86.7 | Confident | 86.5 | Confident | 60 Ų | 60 | 43 Ų | 43 | 32% | 0.321 | 26% | 0.262 | S | S | . | . | trans | -80.3 | 113.5 | -178.6 | -178.9 | 2.5 | 0 | 0 | 0 | 110.3 | N242 G272 H276 L277 | N242-D274 WeakPolarHBondContact OD1-CB 3.29Å; N242-D274 PolarHBondContact OD1-N 2.82Å; G272-D274 PolarHBondContact O-N 3.47Å; D274-H276 PolarHBondContact O-N 3.41Å; D274-H276 WeakPolarHBondContact OD1-CA 3.4Å; D274-H276 VanDerWaalsContact OD1-CB 3.28Å; D274-H276 WeakPolarHBondContact OD1-CB 3.49Å; D274-H276 IonicContact OD1-CD2 2.74Å; D274-H276 PolarHBondContact OD1-CD2 3.17Å; D274-H276 IonicContact OD1-CG 3.06Å; D274-H276 PolarHBondContact OD1-N 2.95Å; D274-L277 HydrophobicContact CB-CB 4.29Å; D274-L277 PolarHBondContact O-N 3.29Å | ||
| 275 | P | 78.7 | Confident | 86.2 | Confident | 13 Ų | 13 | 43 Ų | 43 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -2.6 | 178.5 | 33.7 | -36.8 | 0 | 0 | 0 | 113.8 | L253 A273 P285 L301 M306 | L253-P275 HydrophobicContact CD2-CB 4.31Å; A273-P275 WeakPolarHBondContact O-CD 3.46Å; P275-P285 WeakPolarHBondContact O-CB 3.32Å; P275-P285 WeakPolarHBondContact O-CD 3.38Å; P275-P285 WeakPolarHBondContact O-CG 3.47Å; P275-L301 HydrophobicContact CB-CD2 3.99Å; P275-M306 HydrophobicContact CB-CE 4.43Å; P275-M306 HydrophobicContact CB-CG 3.56Å; P275-M306 HydrophobicContact CB-SD 3.66Å; P275-M306 HydrophobicContact CG-CG 3.85Å |
| 276 | H | 81.3 | Confident | 85.6 | Confident | 92 Ų | 92 | 43.1 Ų | 43.1 | 43% | 0.426 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -11.5 | 178.9 | -56.7 | -67.5 | 0 | 0 | 0 | 113.7 | D274 V278 | D274-H276 PolarHBondContact O-N 3.41Å; D274-H276 WeakPolarHBondContact OD1-CA 3.4Å; D274-H276 VanDerWaalsContact OD1-CB 3.28Å; D274-H276 WeakPolarHBondContact OD1-CB 3.49Å; D274-H276 IonicContact OD1-CD2 2.74Å; D274-H276 PolarHBondContact OD1-CD2 3.17Å; D274-H276 IonicContact OD1-CG 3.06Å; D274-H276 PolarHBondContact OD1-N 2.95Å; H276-V278 PolarHBondContact O-N 3.26Å; H276-V278 VanDerWaalsContact O-N 3.14Å |
| 277 | L | 86.2 | Confident | 85.1 | Confident | 47 Ų | 47 | 42.7 Ų | 42.7 | 25% | 0.246 | 26% | 0.26 | C | S | . | . | trans | -64.5 | 114.4 | -176.7 | -161.3 | 66.4 | 0 | 0 | 0 | 110.9 | N242 L244 D274 P285 | N242-L277 HydrophobicContact CB-CD2 4.09Å; N242-L277 WeakPolarHBondContact O-CD2 3.26Å; L244-L277 HydrophobicContact CD1-CD2 4.27Å; L244-L277 HydrophobicContact CD1-CG 4.4Å; L244-L277 HydrophobicContact CD2-CD2 3.33Å; L244-L277 HydrophobicContact CD2-CG 3.97Å; L244-L277 HydrophobicContact CG-CD2 3.89Å; D274-L277 HydrophobicContact CB-CB 4.29Å; D274-L277 PolarHBondContact O-N 3.29Å; L277-P285 WeakPolarHBondContact O-CD 3.18Å | ||
| 278 | V | 86.4 | Confident | 85 | Confident | 71 Ų | 71 | 41.5 Ų | 41.5 | 43% | 0.43 | 25% | 0.254 | S | S | . | . | trans | -83.2 | 144.6 | -175.9 | -66.6 | 0 | 0 | 0 | 0 | 112.1 | H276 R283 T284 | H276-V278 PolarHBondContact O-N 3.26Å; H276-V278 VanDerWaalsContact O-N 3.14Å; V278-R283 WeakPolarHBondContact CA-O 3.48Å; V278-T284 HydrophobicContact CG1-CG2 3.75Å | ||
| 279 | D | 89.5 | Confident | 84.4 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | trans | -81.9 | -177.3 | 170.5 | 76.6 | 5.3 | 0 | 0 | 0 | 112.8 | L249 R250 L281 G282 R283 | L249-D279 WeakPolarHBondContact O-CA 3.38Å; R250-D279 HydrophobicContact CG-CB 4.21Å; D279-L281 PolarHBondContact O-N 3.18Å; D279-L281 WeakPolarHBondContact OD1-CA 3.09Å; D279-L281 WeakPolarHBondContact OD1-CB 3.1Å; D279-L281 PolarHBondContact OD1-N 3.35Å; D279-G282 PolarHBondContact O-N 3.49Å; D279-G282 PolarHBondContact OD1-N 3.35Å; D279-R283 PolarHBondContact N-O 3.12Å; D279-R283 WeakPolarHBondContact OD1-CB 3.46Å; D279-R283 PolarHBondContact OD1-N 3.42Å; D279-R283 IonicContact OD1-NE 2.95Å; D279-R283 PolarHBondContact OD1-NE 3.18Å; D279-R283 IonicContact OD2-CZ 3.66Å; D279-R283 IonicContact OD2-NE 3.68Å; D279-R283 PolarHBondContact OD2-NE 3.05Å; D279-R283 IonicContact OD2-NH2 3.96Å; D279-R283 PolarHBondContact OD2-NH2 3.43Å | ||
| 280 | S | 90.3 | Very high | 83.7 | Confident | 63 Ų | 63 | 41.9 Ų | 41.9 | 44% | 0.441 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -12.7 | -178.2 | 69.7 | 0 | 0 | 0 | 0 | 114.5 | Y248 | Y248-S280 PolarHBondContact O-N 3Å; Y248-S280 VanDerWaalsContact O-N 3.1Å; Y248-S280 PolarHBondContact O-OG 3.15Å |
| 281 | L | 88.4 | Confident | 83.1 | Confident | 121 Ų | 121 | 45.7 Ų | 45.7 | 63% | 0.634 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 10 | 175.7 | -61.3 | -179.2 | 0 | 0 | 0 | 112.1 | D279 R283 | D279-L281 PolarHBondContact O-N 3.18Å; D279-L281 WeakPolarHBondContact OD1-CA 3.09Å; D279-L281 WeakPolarHBondContact OD1-CB 3.1Å; D279-L281 PolarHBondContact OD1-N 3.35Å; L281-R283 HydrophobicContact CB-CG 4.08Å; L281-R283 PolarHBondContact O-N 2.9Å |
| 282 | G | 86.1 | Confident | 82.6 | Confident | 52 Ų | 52 | 43.5 Ų | 43.5 | 54% | 0.536 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 73 | 13.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | D279 | D279-G282 PolarHBondContact O-N 3.49Å; D279-G282 PolarHBondContact OD1-N 3.35Å |
| 283 | R | 85.5 | Confident | 81.7 | Confident | 53 Ų | 53 | 48.2 Ų | 48.2 | 20% | 0.2 | 26% | 0.258 | C | S | . | . | trans | -84.8 | 130.2 | -177.2 | -57.8 | 177.1 | -62.1 | -166.2 | -5.2 | 109.8 | V278 D279 L281 S287 L288 | V278-R283 WeakPolarHBondContact CA-O 3.48Å; D279-R283 PolarHBondContact N-O 3.12Å; D279-R283 WeakPolarHBondContact OD1-CB 3.46Å; D279-R283 PolarHBondContact OD1-N 3.42Å; D279-R283 IonicContact OD1-NE 2.95Å; D279-R283 PolarHBondContact OD1-NE 3.18Å; D279-R283 IonicContact OD2-CZ 3.66Å; D279-R283 IonicContact OD2-NE 3.68Å; D279-R283 PolarHBondContact OD2-NE 3.05Å; D279-R283 IonicContact OD2-NH2 3.96Å; D279-R283 PolarHBondContact OD2-NH2 3.43Å; L281-R283 HydrophobicContact CB-CG 4.08Å; L281-R283 PolarHBondContact O-N 2.9Å; R283-S287 WeakPolarHBondContact CB-OG 3.26Å; R283-L288 HydrophobicContact CB-CD2 4.25Å; R283-L288 HydrophobicContact CB-CG 4.37Å | ||
| 284 | T | 84 | Confident | 80.8 | Confident | 30 Ų | 30 | 49.1 Ų | 49.1 | 18% | 0.184 | 26% | 0.262 | C | S | . | . | trans | -82.8 | 156.1 | 170.6 | 61.3 | 0 | 0 | 0 | 0 | 111.2 | V278 G286 S287 L288 | V278-T284 HydrophobicContact CG1-CG2 3.75Å; T284-G286 PolarHBondContact O-N 3.36Å; T284-S287 PolarHBondContact N-OG 3.36Å; T284-S287 VanDerWaalsContact N-OG 3.12Å; T284-S287 PolarHBondContact O-N 3.31Å; T284-S287 PolarHBondContact O-OG 2.99Å; T284-S287 PolarHBondContact OG1-N 2.96Å; T284-L288 PolarHBondContact O-N 3.43Å; T284-L288 VanDerWaalsContact O-N 3.09Å | ||
| 285 | P | 83.8 | Confident | 79.8 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -44.3 | -43.9 | 166.6 | -35.5 | 36.5 | 0 | 0 | 0 | 113.4 | L253 I257 P275 L277 L288 A289 | L253-P285 HydrophobicContact CD2-CB 3.99Å; L253-P285 HydrophobicContact CD2-CG 4.08Å; L253-P285 HydrophobicContact CG-CB 4.26Å; L253-P285 HydrophobicContact CG-CG 4.44Å; I257-P285 HydrophobicContact CD1-CB 3.59Å; I257-P285 WeakPolarHBondContact CD1-O 3.33Å; P275-P285 WeakPolarHBondContact O-CB 3.32Å; P275-P285 WeakPolarHBondContact O-CD 3.38Å; P275-P285 WeakPolarHBondContact O-CG 3.47Å; L277-P285 WeakPolarHBondContact O-CD 3.18Å; P285-L288 PolarHBondContact O-N 2.75Å; P285-A289 WeakPolarHBondContact O-CB 3.23Å; P285-A289 PolarHBondContact O-N 3.49Å |
| 286 | G | 74.3 | Confident | 79.4 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61 | -44.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T284 L288 A289 V290 M306 | T284-G286 PolarHBondContact O-N 3.36Å; G286-L288 VanDerWaalsContact C-N 3.27Å; G286-L288 PolarHBondContact O-N 2.88Å; G286-A289 PolarHBondContact O-N 3.27Å; G286-V290 VanDerWaalsContact O-CG2 3.27Å; G286-V290 WeakPolarHBondContact O-CG2 3.41Å; G286-V290 PolarHBondContact O-N 2.94Å; G286-M306 VanDerWaalsContact CA-CE 3.44Å |
| 287 | S | 75.2 | Confident | 79.2 | Confident | 35 Ų | 35 | 47.8 Ų | 47.8 | 25% | 0.245 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -36 | 177.3 | 74.2 | 0 | 0 | 0 | 0 | 112.2 | R283 T284 R291 | R283-S287 WeakPolarHBondContact CB-OG 3.26Å; T284-S287 PolarHBondContact N-OG 3.36Å; T284-S287 VanDerWaalsContact N-OG 3.12Å; T284-S287 PolarHBondContact O-N 3.31Å; T284-S287 PolarHBondContact O-OG 2.99Å; T284-S287 PolarHBondContact OG1-N 2.96Å; S287-R291 WeakPolarHBondContact O-CG 3.48Å; S287-R291 PolarHBondContact O-N 3.17Å |
| 288 | L | 83.2 | Confident | 78.4 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.6 | -45.7 | 174.6 | -63.9 | 173.9 | 0 | 0 | 0 | 110.8 | A254 I257 R283 T284 P285 G286 V290 R291 T292 | A254-L288 HydrophobicContact CB-CD1 3.73Å; I257-L288 HydrophobicContact CG2-CB 3.89Å; R283-L288 HydrophobicContact CB-CD2 4.25Å; R283-L288 HydrophobicContact CB-CG 4.37Å; T284-L288 PolarHBondContact O-N 3.43Å; T284-L288 VanDerWaalsContact O-N 3.09Å; P285-L288 PolarHBondContact O-N 2.75Å; G286-L288 VanDerWaalsContact C-N 3.27Å; G286-L288 PolarHBondContact O-N 2.88Å; L288-V290 VanDerWaalsContact C-N 3.3Å; L288-V290 PolarHBondContact O-N 3.3Å; L288-R291 WeakPolarHBondContact O-CB 3.35Å; L288-R291 PolarHBondContact O-N 3Å; L288-R291 VanDerWaalsContact O-N 3.08Å; L288-T292 PolarHBondContact O-N 3.37Å |
| 289 | A | 77.3 | Confident | 77.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.5 | -40.6 | -180 | 0 | 0 | 0 | 0 | 0 | 111.9 | I257 P285 G286 R291 T292 K293 I297 L298 L301 | I257-A289 HydrophobicContact CD1-CB 4.46Å; I257-A289 VanDerWaalsContact CG2-CA 3.42Å; I257-A289 HydrophobicContact CG2-CB 3.75Å; I257-A289 VanDerWaalsContact CG2-N 3.33Å; P285-A289 WeakPolarHBondContact O-CB 3.23Å; P285-A289 PolarHBondContact O-N 3.49Å; G286-A289 PolarHBondContact O-N 3.27Å; A289-R291 VanDerWaalsContact C-N 3.27Å; A289-R291 PolarHBondContact O-N 3.11Å; A289-T292 PolarHBondContact O-N 3.22Å; A289-T292 PolarHBondContact O-OG1 3.06Å; A289-K293 PolarHBondContact O-N 3.36Å; A289-I297 HydrophobicContact CB-CG2 3.69Å; A289-L298 HydrophobicContact CB-CD2 3.85Å; A289-L301 HydrophobicContact CB-CD1 3.44Å; A289-L301 VanDerWaalsContact CB-CD1 3.44Å |
| 290 | V | 70.3 | Confident | 76.6 | Confident | 16 Ų | 16 | 48.8 Ų | 48.8 | 10% | 0.097 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61 | -37.8 | 177 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | G286 L288 T292 K293 L298 W311 Y314 | G286-V290 VanDerWaalsContact O-CG2 3.27Å; G286-V290 WeakPolarHBondContact O-CG2 3.41Å; G286-V290 PolarHBondContact O-N 2.94Å; L288-V290 VanDerWaalsContact C-N 3.3Å; L288-V290 PolarHBondContact O-N 3.3Å; V290-T292 VanDerWaalsContact C-N 3.35Å; V290-T292 PolarHBondContact O-N 3.21Å; V290-K293 PolarHBondContact O-N 2.98Å; V290-L298 HydrophobicContact CB-CD2 4.5Å; V290-L298 HydrophobicContact CG2-CD2 3.69Å; V290-W311 HydrophobicContact CG2-CB 4.32Å; V290-W311 HydrophobicContact CG2-CG 4.01Å; V290-Y314 HydrophobicContact CB-CE2 4.41Å; V290-Y314 HydrophobicContact CG1-CD1 4.29Å; V290-Y314 HydrophobicContact CG1-CD2 3.07Å; V290-Y314 HydrophobicContact CG1-CE1 4.26Å; V290-Y314 HydrophobicContact CG1-CE2 3.09Å; V290-Y314 HydrophobicContact CG1-CG 3.7Å |
| 291 | R | 74.8 | Confident | 75.5 | Confident | 161 Ų | 161 | 45.8 Ų | 45.8 | 61% | 0.608 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -66.3 | -34.3 | 177 | -69.5 | 173.9 | 59.7 | 163.7 | 1.3 | 113.3 | S287 L288 A289 K293 | S287-R291 WeakPolarHBondContact O-CG 3.48Å; S287-R291 PolarHBondContact O-N 3.17Å; L288-R291 WeakPolarHBondContact O-CB 3.35Å; L288-R291 PolarHBondContact O-N 3Å; L288-R291 VanDerWaalsContact O-N 3.08Å; A289-R291 VanDerWaalsContact C-N 3.27Å; A289-R291 PolarHBondContact O-N 3.11Å; R291-K293 PolarHBondContact O-N 3.05Å |
| 292 | T | 75.3 | Confident | 74.3 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 17% | 0.166 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.6 | -25.2 | 175.9 | 71.6 | 0 | 0 | 0 | 0 | 112.4 | I257 E260 L288 A289 V290 N294 | I257-T292 HydrophobicContact CG2-CG2 4.31Å; I257-T292 WeakPolarHBondContact O-CG2 3.2Å; E260-T292 HydrophobicContact CG-CG2 3.93Å; L288-T292 PolarHBondContact O-N 3.37Å; A289-T292 PolarHBondContact O-N 3.22Å; A289-T292 PolarHBondContact O-OG1 3.06Å; V290-T292 VanDerWaalsContact C-N 3.35Å; V290-T292 PolarHBondContact O-N 3.21Å; T292-N294 PolarHBondContact O-N 3.1Å; T292-N294 VanDerWaalsContact O-N 3.14Å; T292-N294 WeakPolarHBondContact OG1-CB 3.26Å; T292-N294 PolarHBondContact OG1-N 3.14Å; T292-N294 VanDerWaalsContact OG1-N 3.1Å |
| 293 | K | 69.1 | Low | 73.3 | Confident | 148 Ų | 148 | 47.9 Ų | 47.9 | 64% | 0.643 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 17.1 | -170.8 | -52 | 173.8 | -177.7 | 174 | 0 | 113.1 | A289 V290 R291 I295 | A289-K293 PolarHBondContact O-N 3.36Å; V290-K293 PolarHBondContact O-N 2.98Å; R291-K293 PolarHBondContact O-N 3.05Å; K293-I295 PolarHBondContact O-N 2.64Å |
| 294 | N | 69.7 | Low | 72.3 | Confident | 26 Ų | 26 | 49.4 Ų | 49.4 | 14% | 0.139 | 23% | 0.226 | C | C | . | . | trans | -80 | 117.5 | 175.2 | -172.9 | -31.4 | 0 | 0 | 0 | 110.5 | T292 Q296 I297 L298 | T292-N294 PolarHBondContact O-N 3.1Å; T292-N294 VanDerWaalsContact O-N 3.14Å; T292-N294 WeakPolarHBondContact OG1-CB 3.26Å; T292-N294 PolarHBondContact OG1-N 3.14Å; T292-N294 VanDerWaalsContact OG1-N 3.1Å; N294-Q296 PolarHBondContact OD1-N 3.35Å; N294-Q296 VanDerWaalsContact OD1-N 3.16Å; N294-I297 HydrophobicContact CB-CB 4.39Å; N294-I297 HydrophobicContact CB-CD1 4.08Å; N294-I297 HydrophobicContact CB-CG1 4.3Å; N294-I297 PolarHBondContact OD1-N 3.18Å; N294-L298 WeakPolarHBondContact O-CG 3.4Å; N294-L298 PolarHBondContact O-N 3.06Å | ||
| 295 | I | 66.3 | Low | 70.9 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 16% | 0.159 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -83.6 | -30.6 | -168.8 | -66.9 | -176 | 0 | 0 | 0 | 113.3 | K293 I297 L298 Q299 R346 | K293-I295 PolarHBondContact O-N 2.64Å; I295-I297 PolarHBondContact O-N 3.34Å; I295-L298 PolarHBondContact O-N 3.1Å; I295-Q299 HydrophobicContact CG2-CG 4.12Å; I295-Q299 WeakPolarHBondContact O-CB 3.42Å; I295-Q299 VanDerWaalsContact O-CG 3.27Å; I295-Q299 WeakPolarHBondContact O-CG 3.27Å; I295-Q299 PolarHBondContact O-N 3.08Å; I295-R346 HydrophobicContact CD1-CB 3.09Å; I295-R346 HydrophobicContact CD1-CG 3.01Å; I295-R346 HydrophobicContact CG1-CB 4.48Å; I295-R346 HydrophobicContact CG1-CG 4.46Å |
| 296 | Q | 70.9 | Confident | 69.7 | Low | 106 Ų | 106 | 50.9 Ų | 50.9 | 50% | 0.495 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.1 | -40.7 | 176.6 | -67.5 | 178.3 | -12.2 | 0 | 0 | 109.3 | V262 N294 Q299 Q300 | V262-Q296 HydrophobicContact CG1-CB 3.82Å; V262-Q296 HydrophobicContact CG2-CB 3.97Å; N294-Q296 PolarHBondContact OD1-N 3.35Å; N294-Q296 VanDerWaalsContact OD1-N 3.16Å; Q296-Q299 PolarHBondContact O-N 3.3Å; Q296-Q300 WeakPolarHBondContact O-CG 3.38Å; Q296-Q300 PolarHBondContact O-N 3.2Å |
| 297 | I | 75.6 | Confident | 68.5 | Low | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -47.9 | 174 | -64 | -179.4 | 0 | 0 | 0 | 111.2 | I257 V262 V265 A289 N294 I295 Q299 Q300 L301 | I257-I297 HydrophobicContact CG1-CG2 3.93Å; I257-I297 HydrophobicContact CG2-CG2 4.38Å; V262-I297 HydrophobicContact CG2-CG1 4.07Å; V265-I297 HydrophobicContact CG1-CG2 4.3Å; V265-I297 HydrophobicContact CG2-CD1 4.22Å; V265-I297 HydrophobicContact CG2-CG1 4.33Å; V265-I297 HydrophobicContact CG2-CG2 4.46Å; A289-I297 HydrophobicContact CB-CG2 3.69Å; N294-I297 HydrophobicContact CB-CB 4.39Å; N294-I297 HydrophobicContact CB-CD1 4.08Å; N294-I297 HydrophobicContact CB-CG1 4.3Å; N294-I297 PolarHBondContact OD1-N 3.18Å; I295-I297 PolarHBondContact O-N 3.34Å; I297-Q299 VanDerWaalsContact C-N 3.3Å; I297-Q299 PolarHBondContact O-N 2.88Å; I297-Q300 PolarHBondContact O-N 3.36Å; I297-L301 HydrophobicContact CG2-CD1 4.08Å; I297-L301 HydrophobicContact CG2-CG 4.48Å; I297-L301 WeakPolarHBondContact O-CG 2.87Å; I297-L301 PolarHBondContact O-N 2.92Å |
| 298 | L | 69.4 | Low | 67.2 | Low | 28 Ų | 28 | 53.9 Ų | 53.9 | 15% | 0.147 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.4 | -39.3 | 178.2 | -70.4 | 170.1 | 0 | 0 | 0 | 112.6 | A289 V290 N294 I295 Y302 W311 | A289-L298 HydrophobicContact CB-CD2 3.85Å; V290-L298 HydrophobicContact CB-CD2 4.5Å; V290-L298 HydrophobicContact CG2-CD2 3.69Å; N294-L298 WeakPolarHBondContact O-CG 3.4Å; N294-L298 PolarHBondContact O-N 3.06Å; I295-L298 PolarHBondContact O-N 3.1Å; L298-Y302 PolarHBondContact O-N 3.45Å; L298-Y302 VanDerWaalsContact O-N 3.07Å; L298-W311 HydrophobicContact CB-CH2 4.42Å; L298-W311 HydrophobicContact CB-CZ2 4.49Å; L298-W311 HydrophobicContact CD2-CZ2 4.27Å |
| 299 | Q | 68.8 | Low | 65.3 | Low | 84 Ų | 84 | 58.7 Ų | 58.7 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.2 | -47.3 | 175.2 | -76.1 | 174.6 | -26.5 | 0 | 0 | 111.4 | I295 Q296 I297 L301 Y302 Y303 | I295-Q299 HydrophobicContact CG2-CG 4.12Å; I295-Q299 WeakPolarHBondContact O-CB 3.42Å; I295-Q299 VanDerWaalsContact O-CG 3.27Å; I295-Q299 WeakPolarHBondContact O-CG 3.27Å; I295-Q299 PolarHBondContact O-N 3.08Å; Q296-Q299 PolarHBondContact O-N 3.3Å; I297-Q299 VanDerWaalsContact C-N 3.3Å; I297-Q299 PolarHBondContact O-N 2.88Å; Q299-L301 PolarHBondContact O-N 3.27Å; Q299-Y302 PolarHBondContact O-N 2.93Å; Q299-Y303 HydrophobicContact CB-CD2 4.49Å; Q299-Y303 HydrophobicContact CB-CE2 4.28Å; Q299-Y303 WeakPolarHBondContact O-CD2 3.39Å; Q299-Y303 PolarHBondContact O-N 3.23Å |
| 300 | Q | 69.1 | Low | 63.8 | Low | 35 Ų | 35 | 63.3 Ų | 63.3 | 16% | 0.164 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58 | -48.6 | 177 | -74.8 | 175.4 | 0.3 | 0 | 0 | 111.3 | V262 V265 L269 Q296 I297 Y302 Y303 H304 | V262-Q300 VanDerWaalsContact CG1-NE2 3.33Å; V262-Q300 PolarHBondContact O-NE2 2.95Å; V262-Q300 PolarHBondContact O-OE1 3.4Å; V265-Q300 VanDerWaalsContact CG1-OE1 3.22Å; L269-Q300 HydrophobicContact CD1-CB 4.11Å; Q296-Q300 WeakPolarHBondContact O-CG 3.38Å; Q296-Q300 PolarHBondContact O-N 3.2Å; I297-Q300 PolarHBondContact O-N 3.36Å; Q300-Y302 VanDerWaalsContact C-N 3.3Å; Q300-Y302 PolarHBondContact O-N 3.1Å; Q300-Y303 PolarHBondContact O-N 3.22Å; Q300-Y303 VanDerWaalsContact O-N 3.14Å; Q300-H304 PolarHBondContact O-CD2 3.14Å; Q300-H304 PolarHBondContact O-N 3.01Å |
| 301 | L | 68.7 | Low | 62.6 | Low | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59 | -40.6 | 178.1 | -73.2 | 175.4 | 0 | 0 | 0 | 112.7 | I257 L269 P275 A289 I297 Q299 H304 G305 M306 | I257-L301 HydrophobicContact CD1-CD1 4.09Å; I257-L301 HydrophobicContact CD1-CD2 4.4Å; L269-L301 HydrophobicContact CD1-CD2 3.99Å; L269-L301 HydrophobicContact CD2-CD2 4.1Å; P275-L301 HydrophobicContact CB-CD2 3.99Å; A289-L301 HydrophobicContact CB-CD1 3.44Å; A289-L301 VanDerWaalsContact CB-CD1 3.44Å; I297-L301 HydrophobicContact CG2-CD1 4.08Å; I297-L301 HydrophobicContact CG2-CG 4.48Å; I297-L301 WeakPolarHBondContact O-CG 2.87Å; I297-L301 PolarHBondContact O-N 2.92Å; Q299-L301 PolarHBondContact O-N 3.27Å; L301-H304 CarbonylContact O-C 3.58Å; L301-H304 PolarHBondContact O-N 3.31Å; L301-G305 PolarHBondContact O-N 2.95Å; L301-M306 HydrophobicContact CB-CB 4.3Å; L301-M306 HydrophobicContact CB-CG 3.96Å; L301-M306 HydrophobicContact CB-SD 3.62Å; L301-M306 HydrophobicContact CD1-SD 3.79Å; L301-M306 HydrophobicContact CD2-CG 4.38Å; L301-M306 HydrophobicContact CD2-SD 3.7Å; L301-M306 HydrophobicContact CG-SD 3.89Å; L301-M306 VanDerWaalsContact O-CB 3.26Å; L301-M306 WeakPolarHBondContact O-CB 3.34Å; L301-M306 WeakPolarHBondContact O-CG 3.43Å; L301-M306 PolarHBondContact O-N 3.25Å |
| 302 | Y | 63 | Low | 61.2 | Low | 54 Ų | 54 | 60.1 Ų | 60.1 | 21% | 0.212 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 174.6 | 178.9 | -88.9 | 0 | 0 | 0 | 112.3 | L298 Q299 Q300 H304 G305 A308 W311 Y387 | L298-Y302 PolarHBondContact O-N 3.45Å; L298-Y302 VanDerWaalsContact O-N 3.07Å; Q299-Y302 PolarHBondContact O-N 2.93Å; Q300-Y302 VanDerWaalsContact C-N 3.3Å; Q300-Y302 PolarHBondContact O-N 3.1Å; Y302-H304 PolarHBondContact O-N 3.44Å; Y302-G305 PolarHBondContact O-N 3.32Å; Y302-A308 HydrophobicContact CD2-CB 4.3Å; Y302-A308 HydrophobicContact CE2-CB 4.34Å; Y302-W311 HydrophobicContact CD2-CH2 4.47Å; Y302-Y387 WeakPolarHBondContact CB-OH 3.31Å; Y302-Y387 AromaticContact CD1-CE1 3.78Å; Y302-Y387 HydrophobicContact CD1-CE1 3.78Å; Y302-Y387 AromaticContact CD1-CE2 3.67Å; Y302-Y387 HydrophobicContact CD1-CE2 3.67Å; Y302-Y387 AromaticContact CD1-CZ 3.15Å; Y302-Y387 WeakPolarHBondContact CD1-OH 3.21Å; Y302-Y387 HydrophobicContact CD2-CE1 4.26Å; Y302-Y387 AromaticContact CE1-CD1 3.99Å; Y302-Y387 HydrophobicContact CE1-CD1 3.99Å; Y302-Y387 HydrophobicContact CE1-CD2 4.2Å; Y302-Y387 AromaticContact CE1-CE1 3.32Å; Y302-Y387 HydrophobicContact CE1-CE1 3.32Å; Y302-Y387 AromaticContact CE1-CE2 3.59Å; Y302-Y387 HydrophobicContact CE1-CE2 3.59Å; Y302-Y387 HydrophobicContact CE1-CG 4.4Å; Y302-Y387 AromaticContact CE1-CZ 3.13Å; Y302-Y387 WeakPolarHBondContact CE1-OH 3.4Å; Y302-Y387 AromaticContact CE2-CE1 3.88Å; Y302-Y387 HydrophobicContact CE2-CE1 3.88Å; Y302-Y387 HydrophobicContact CG-CE1 4.21Å; Y302-Y387 AromaticContact CG-CZ 3.72Å; Y302-Y387 AromaticContact CZ-CD1 3.98Å; Y302-Y387 AromaticContact CZ-CE1 3.37Å; Y302-Y387 AromaticContact CZ-CZ 3.7Å |
| 303 | Y | 65 | Low | 59.7 | Low | 162 Ų | 162 | 66.4 Ų | 66.4 | 64% | 0.635 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.1 | -29.2 | 176.8 | -75.4 | -60 | 0 | 0 | 0 | 112.5 | Q299 Q300 G305 Y387 | Q299-Y303 HydrophobicContact CB-CD2 4.49Å; Q299-Y303 HydrophobicContact CB-CE2 4.28Å; Q299-Y303 WeakPolarHBondContact O-CD2 3.39Å; Q299-Y303 PolarHBondContact O-N 3.23Å; Q300-Y303 PolarHBondContact O-N 3.22Å; Q300-Y303 VanDerWaalsContact O-N 3.14Å; Y303-G305 VanDerWaalsContact C-N 3.27Å; Y303-G305 PolarHBondContact O-N 3.15Å; Y303-Y387 HydrophobicContact CE1-CE2 4.39Å |
| 304 | H | 65.3 | Low | 58.2 | Low | 86 Ų | 86 | 63.6 Ų | 63.6 | 40% | 0.398 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 18.2 | 174.1 | -74.1 | -83.3 | 0 | 0 | 0 | 113.8 | L269 Q300 L301 Y302 | L269-H304 HydrophobicContact CD1-CB 4.45Å; L269-H304 HydrophobicContact CD2-CB 4.28Å; Q300-H304 PolarHBondContact O-CD2 3.14Å; Q300-H304 PolarHBondContact O-N 3.01Å; L301-H304 CarbonylContact O-C 3.58Å; L301-H304 PolarHBondContact O-N 3.31Å; Y302-H304 PolarHBondContact O-N 3.44Å |
| 305 | G | 54.7 | Low | 56.9 | Low | 58 Ų | 58 | 65.5 Ų | 65.5 | 60% | 0.598 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | 8.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L301 Y302 Y303 N307 | L301-G305 PolarHBondContact O-N 2.95Å; Y302-G305 PolarHBondContact O-N 3.32Å; Y303-G305 VanDerWaalsContact C-N 3.27Å; Y303-G305 PolarHBondContact O-N 3.15Å; G305-N307 PolarHBondContact O-N 3.03Å |
| 306 | M | 57.3 | Low | 55.7 | Low | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.015 | 35% | 0.347 | C | S | . | . | trans | -64.4 | 126.2 | 174.6 | -74.5 | -155 | 77.2 | 0 | 0 | 111.7 | P275 G286 L301 A308 | P275-M306 HydrophobicContact CB-CE 4.43Å; P275-M306 HydrophobicContact CB-CG 3.56Å; P275-M306 HydrophobicContact CB-SD 3.66Å; P275-M306 HydrophobicContact CG-CG 3.85Å; G286-M306 VanDerWaalsContact CA-CE 3.44Å; L301-M306 HydrophobicContact CB-CB 4.3Å; L301-M306 HydrophobicContact CB-CG 3.96Å; L301-M306 HydrophobicContact CB-SD 3.62Å; L301-M306 HydrophobicContact CD1-SD 3.79Å; L301-M306 HydrophobicContact CD2-CG 4.38Å; L301-M306 HydrophobicContact CD2-SD 3.7Å; L301-M306 HydrophobicContact CG-SD 3.89Å; L301-M306 VanDerWaalsContact O-CB 3.26Å; L301-M306 WeakPolarHBondContact O-CB 3.34Å; L301-M306 WeakPolarHBondContact O-CG 3.43Å; L301-M306 PolarHBondContact O-N 3.25Å; M306-A308 PolarHBondContact O-N 3.07Å; M306-A308 VanDerWaalsContact O-N 3.15Å | ||
| 307 | N | 48.8 | Very low | 53.9 | Low | 85 Ų | 85 | 65.1 Ų | 65.1 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | trans | -66.2 | 113.1 | 176.3 | -169.9 | -21.9 | 0 | 0 | 0 | 110.8 | G305 N309 L310 | G305-N307 PolarHBondContact O-N 3.03Å; N307-N309 PolarHBondContact O-N 3.47Å; N307-N309 WeakPolarHBondContact OD1-CB 3.21Å; N307-N309 PolarHBondContact OD1-N 2.95Å; N307-N309 PolarHBondContact OD1-ND2 3.37Å; N307-L310 HydrophobicContact CB-CD1 4.41Å; N307-L310 HydrophobicContact CB-CG 4.46Å; N307-L310 WeakPolarHBondContact O-CB 3.38Å; N307-L310 PolarHBondContact O-N 3.42Å | ||
| 308 | A | 47.8 | Very low | 52 | Low | 16 Ų | 16 | 66.1 Ų | 66.1 | 13% | 0.132 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -59 | -19.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y302 M306 L310 W311 F350 | Y302-A308 HydrophobicContact CD2-CB 4.3Å; Y302-A308 HydrophobicContact CE2-CB 4.34Å; M306-A308 PolarHBondContact O-N 3.07Å; M306-A308 VanDerWaalsContact O-N 3.15Å; A308-L310 PolarHBondContact O-N 3.24Å; A308-W311 HydrophobicContact CB-CD2 4.24Å; A308-W311 HydrophobicContact CB-CE3 4.01Å; A308-W311 HydrophobicContact CB-CH2 4.5Å; A308-W311 HydrophobicContact CB-CZ3 4.15Å; A308-W311 WeakPolarHBondContact O-CB 3.19Å; A308-W311 PolarHBondContact O-N 2.98Å; A308-F350 HydrophobicContact CB-CE2 4.33Å; A308-F350 HydrophobicContact CB-CZ 4.46Å |
| 309 | N | 45 | Very low | 50.5 | Low | 107 Ų | 107 | 70.3 Ų | 70.3 | 57% | 0.572 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -66.8 | -23.1 | 173.4 | -63.1 | -21.9 | 0 | 0 | 0 | 112.4 | N307 W311 T312 | N307-N309 PolarHBondContact O-N 3.47Å; N307-N309 WeakPolarHBondContact OD1-CB 3.21Å; N307-N309 PolarHBondContact OD1-N 2.95Å; N307-N309 PolarHBondContact OD1-ND2 3.37Å; N309-W311 PolarHBondContact O-N 3.28Å; N309-T312 VanDerWaalsContact O-CB 3.31Å; N309-T312 WeakPolarHBondContact O-CB 3.13Å; N309-T312 WeakPolarHBondContact O-CG2 3.48Å; N309-T312 PolarHBondContact O-N 2.85Å; N309-T312 VanDerWaalsContact O-N 3.1Å; N309-T312 PolarHBondContact O-OG1 3.16Å; N309-T312 VanDerWaalsContact O-OG1 3.06Å |
| 310 | L | 44 | Very low | 49 | Very low | 96 Ų | 96 | 69.3 Ų | 69.3 | 50% | 0.503 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -68.8 | -12 | 172.5 | -66.2 | 169.9 | 0 | 0 | 0 | 112.1 | N307 A308 T312 | N307-L310 HydrophobicContact CB-CD1 4.41Å; N307-L310 HydrophobicContact CB-CG 4.46Å; N307-L310 WeakPolarHBondContact O-CB 3.38Å; N307-L310 PolarHBondContact O-N 3.42Å; A308-L310 PolarHBondContact O-N 3.24Å; L310-T312 PolarHBondContact O-N 3.43Å |
| 311 | W | 46.9 | Very low | 47.3 | Very low | 33 Ų | 33 | 70.7 Ų | 70.7 | 13% | 0.125 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -79.9 | 8.2 | 172.4 | -48.9 | -15.2 | 0 | 0 | 0 | 112 | V290 L298 Y302 A308 N309 E313 Y314 F350 | V290-W311 HydrophobicContact CG2-CB 4.32Å; V290-W311 HydrophobicContact CG2-CG 4.01Å; L298-W311 HydrophobicContact CB-CH2 4.42Å; L298-W311 HydrophobicContact CB-CZ2 4.49Å; L298-W311 HydrophobicContact CD2-CZ2 4.27Å; Y302-W311 HydrophobicContact CD2-CH2 4.47Å; A308-W311 HydrophobicContact CB-CD2 4.24Å; A308-W311 HydrophobicContact CB-CE3 4.01Å; A308-W311 HydrophobicContact CB-CH2 4.5Å; A308-W311 HydrophobicContact CB-CZ3 4.15Å; A308-W311 WeakPolarHBondContact O-CB 3.19Å; A308-W311 PolarHBondContact O-N 2.98Å; N309-W311 PolarHBondContact O-N 3.28Å; W311-E313 PolarHBondContact O-N 3.43Å; W311-E313 VanDerWaalsContact O-N 3.08Å; W311-Y314 PolarHBondContact O-N 3.2Å; W311-F350 HydrophobicContact CE3-CE2 4.09Å; W311-F350 HydrophobicContact CE3-CZ 4.31Å; W311-F350 HydrophobicContact CZ3-CD2 4.3Å; W311-F350 AromaticContact CZ3-CE2 3.99Å; W311-F350 HydrophobicContact CZ3-CE2 3.99Å |
| 312 | T | 44.5 | Very low | 45.7 | Very low | 78 Ų | 78 | 74.2 Ų | 74.2 | 48% | 0.479 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -50.1 | -31.1 | -178.6 | 38.1 | 0 | 0 | 0 | 0 | 114.9 | N309 L310 Y314 I315 | N309-T312 VanDerWaalsContact O-CB 3.31Å; N309-T312 WeakPolarHBondContact O-CB 3.13Å; N309-T312 WeakPolarHBondContact O-CG2 3.48Å; N309-T312 PolarHBondContact O-N 2.85Å; N309-T312 VanDerWaalsContact O-N 3.1Å; N309-T312 PolarHBondContact O-OG1 3.16Å; N309-T312 VanDerWaalsContact O-OG1 3.06Å; L310-T312 PolarHBondContact O-N 3.43Å; T312-Y314 PolarHBondContact O-N 2.91Å; T312-Y314 VanDerWaalsContact O-N 3.1Å; T312-I315 HydrophobicContact CG2-CD1 3.59Å; T312-I315 HydrophobicContact CG2-CG1 4.49Å; T312-I315 WeakPolarHBondContact O-CB 3.01Å; T312-I315 PolarHBondContact O-N 3.49Å |
| 313 | E | 43.6 | Very low | 44.7 | Very low | 158 Ų | 158 | 77 Ų | 77 | 74% | 0.738 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -58.9 | -23.3 | 175.4 | -73.2 | -171.4 | 160 | 0 | 0 | 112.6 | W311 P317 | W311-E313 PolarHBondContact O-N 3.43Å; W311-E313 VanDerWaalsContact O-N 3.08Å; E313-P317 WeakPolarHBondContact O-CD 3.36Å |
| 314 | Y | 38.4 | Very low | 43.3 | Very low | 89 Ų | 89 | 76.2 Ų | 76.2 | 35% | 0.349 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -98.6 | -11.1 | 172.8 | -81.3 | -109.5 | 0 | 0 | 0 | 114 | V290 W311 T312 A316 P317 A318 | V290-Y314 HydrophobicContact CB-CE2 4.41Å; V290-Y314 HydrophobicContact CG1-CD1 4.29Å; V290-Y314 HydrophobicContact CG1-CD2 3.07Å; V290-Y314 HydrophobicContact CG1-CE1 4.26Å; V290-Y314 HydrophobicContact CG1-CE2 3.09Å; V290-Y314 HydrophobicContact CG1-CG 3.7Å; W311-Y314 PolarHBondContact O-N 3.2Å; T312-Y314 PolarHBondContact O-N 2.91Å; T312-Y314 VanDerWaalsContact O-N 3.1Å; Y314-A316 PolarHBondContact O-N 2.83Å; Y314-P317 WeakPolarHBondContact O-CD 3.32Å; Y314-A318 WeakPolarHBondContact O-CB 3.03Å; Y314-A318 PolarHBondContact O-N 3.49Å |
| 315 | I | 42 | Very low | 41.9 | Very low | 67 Ų | 67 | 74.8 Ų | 74.8 | 34% | 0.344 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 171.2 | -66.8 | 177.8 | 0 | 0 | 0 | 109.8 | T312 A318 K319 | T312-I315 HydrophobicContact CG2-CD1 3.59Å; T312-I315 HydrophobicContact CG2-CG1 4.49Å; T312-I315 WeakPolarHBondContact O-CB 3.01Å; T312-I315 PolarHBondContact O-N 3.49Å; I315-A318 PolarHBondContact O-N 2.76Å; I315-K319 WeakPolarHBondContact O-CA 3.34Å; I315-K319 WeakPolarHBondContact O-CB 3.45Å; I315-K319 PolarHBondContact O-N 3.49Å |
| 316 | A | 40.4 | Very low | 41.3 | Very low | 66 Ų | 66 | 78.9 Ų | 78.9 | 55% | 0.545 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.3 | -50.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y314 K319 C320 | Y314-A316 PolarHBondContact O-N 2.83Å; A316-K319 PolarHBondContact O-N 3.2Å; A316-C320 WeakPolarHBondContact O-CB 3.37Å; A316-C320 PolarHBondContact O-N 3.44Å |
| 317 | P | 34.1 | Very low | 40.5 | Very low | 63 Ų | 63 | 81.4 Ų | 81.4 | 41% | 0.409 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.4 | -45.2 | 169.5 | -25.4 | 29.7 | 0 | 0 | 0 | 114.1 | E313 Y314 K319 C320 V321 | E313-P317 WeakPolarHBondContact O-CD 3.36Å; Y314-P317 WeakPolarHBondContact O-CD 3.32Å; P317-K319 VanDerWaalsContact C-N 3.31Å; P317-K319 PolarHBondContact O-N 3.41Å; P317-C320 WeakPolarHBondContact O-CB 2.85Å; P317-C320 PolarHBondContact O-N 3.43Å; P317-V321 WeakPolarHBondContact O-CG2 3.49Å; P317-V321 PolarHBondContact O-N 3.02Å |
| 318 | A | 35.9 | Very low | 40.4 | Very low | 20 Ų | 20 | 88.7 Ų | 88.7 | 17% | 0.165 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y314 I315 V321 M322 I351 | Y314-A318 WeakPolarHBondContact O-CB 3.03Å; Y314-A318 PolarHBondContact O-N 3.49Å; I315-A318 PolarHBondContact O-N 2.76Å; A318-V321 PolarHBondContact O-N 3.29Å; A318-M322 WeakPolarHBondContact O-CG 3.32Å; A318-M322 PolarHBondContact O-N 2.83Å; A318-I351 HydrophobicContact CB-CD1 4.07Å; A318-I351 HydrophobicContact CB-CG1 4.34Å |
| 319 | K | 37.9 | Very low | 40.2 | Very low | 117 Ų | 117 | 90 Ų | 90 | 51% | 0.509 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 173.1 | -171.3 | 178.8 | 179.2 | -174.6 | 0 | 111.8 | I315 A316 P317 V321 M322 D323 | I315-K319 WeakPolarHBondContact O-CA 3.34Å; I315-K319 WeakPolarHBondContact O-CB 3.45Å; I315-K319 PolarHBondContact O-N 3.49Å; A316-K319 PolarHBondContact O-N 3.2Å; P317-K319 VanDerWaalsContact C-N 3.31Å; P317-K319 PolarHBondContact O-N 3.41Å; K319-V321 VanDerWaalsContact C-N 3.33Å; K319-V321 PolarHBondContact O-N 3.47Å; K319-M322 HydrophobicContact CB-CE 4.14Å; K319-M322 HydrophobicContact CG-CE 4.47Å; K319-M322 CarbonylContact O-C 3.56Å; K319-M322 WeakPolarHBondContact O-CB 3.44Å; K319-M322 PolarHBondContact O-N 3.44Å; K319-M322 VanDerWaalsContact O-N 3.17Å; K319-D323 WeakPolarHBondContact O-CB 3.47Å; K319-D323 PolarHBondContact O-N 2.87Å |
| 320 | C | 37.7 | Very low | 40 | Very low | 63 Ų | 63 | 87.9 Ų | 87.9 | 43% | 0.426 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 173.9 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | A316 P317 D323 Q324 | A316-C320 WeakPolarHBondContact O-CB 3.37Å; A316-C320 PolarHBondContact O-N 3.44Å; P317-C320 WeakPolarHBondContact O-CB 2.85Å; P317-C320 PolarHBondContact O-N 3.43Å; C320-D323 PolarHBondContact O-N 2.99Å; C320-Q324 VanDerWaalsContact O-CG 3.32Å; C320-Q324 WeakPolarHBondContact O-CG 3.27Å; C320-Q324 PolarHBondContact O-N 3.38Å |
| 321 | V | 32 | Very low | 39.9 | Very low | 64 Ų | 64 | 86.8 Ų | 86.8 | 39% | 0.388 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.5 | -38.1 | 173.7 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | P317 A318 K319 Q324 C325 | P317-V321 WeakPolarHBondContact O-CG2 3.49Å; P317-V321 PolarHBondContact O-N 3.02Å; A318-V321 PolarHBondContact O-N 3.29Å; K319-V321 VanDerWaalsContact C-N 3.33Å; K319-V321 PolarHBondContact O-N 3.47Å; V321-Q324 PolarHBondContact O-N 3.4Å; V321-C325 VanDerWaalsContact O-CB 3.32Å; V321-C325 WeakPolarHBondContact O-CB 3.38Å; V321-C325 PolarHBondContact O-N 2.96Å; V321-C325 PolarHBondContact O-SG 3.46Å |
| 322 | M | 35.1 | Very low | 39.9 | Very low | 73 Ų | 73 | 88.9 Ų | 88.9 | 36% | 0.36 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 172.1 | -77.3 | -171.1 | -76.8 | 0 | 0 | 112.3 | A318 K319 Q324 C325 I351 | A318-M322 WeakPolarHBondContact O-CG 3.32Å; A318-M322 PolarHBondContact O-N 2.83Å; K319-M322 HydrophobicContact CB-CE 4.14Å; K319-M322 HydrophobicContact CG-CE 4.47Å; K319-M322 CarbonylContact O-C 3.56Å; K319-M322 WeakPolarHBondContact O-CB 3.44Å; K319-M322 PolarHBondContact O-N 3.44Å; K319-M322 VanDerWaalsContact O-N 3.17Å; M322-Q324 VanDerWaalsContact C-N 3.26Å; M322-Q324 PolarHBondContact O-N 3.34Å; M322-C325 CarbonylContact O-C 3.52Å; M322-C325 PolarHBondContact O-N 3.36Å; M322-C325 VanDerWaalsContact O-N 3.17Å; M322-I351 HydrophobicContact CE-CG1 4.07Å; M322-I351 HydrophobicContact CG-CB 4.43Å; M322-I351 HydrophobicContact CG-CD1 3.69Å; M322-I351 HydrophobicContact CG-CG1 3.98Å; M322-I351 HydrophobicContact CG-CG2 3.62Å; M322-I351 HydrophobicContact SD-CB 4.1Å; M322-I351 HydrophobicContact SD-CD1 4.24Å; M322-I351 HydrophobicContact SD-CG1 3.83Å; M322-I351 HydrophobicContact SD-CG2 3.27Å; M322-I351 WeakPolarHBondContact SD-CG2 3.27Å |
| 323 | D | 41.7 | Very low | 39.8 | Very low | 112 Ų | 112 | 86.3 Ų | 86.3 | 60% | 0.599 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.2 | -30.4 | 179.5 | -68.1 | -21.2 | 0 | 0 | 0 | 111 | K319 C320 | K319-D323 WeakPolarHBondContact O-CB 3.47Å; K319-D323 PolarHBondContact O-N 2.87Å; C320-D323 PolarHBondContact O-N 2.99Å |
| 324 | Q | 36.7 | Very low | 39.7 | Very low | 147 Ų | 147 | 80.8 Ų | 80.8 | 69% | 0.687 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -78 | -31.9 | 171.4 | -71.2 | 178.5 | 9.2 | 0 | 0 | 113.1 | C320 V321 M322 N326 | C320-Q324 VanDerWaalsContact O-CG 3.32Å; C320-Q324 WeakPolarHBondContact O-CG 3.27Å; C320-Q324 PolarHBondContact O-N 3.38Å; V321-Q324 PolarHBondContact O-N 3.4Å; M322-Q324 VanDerWaalsContact C-N 3.26Å; M322-Q324 PolarHBondContact O-N 3.34Å; Q324-N326 PolarHBondContact O-N 3.33Å |
| 325 | C | 36.6 | Very low | 40 | Very low | 56 Ų | 56 | 80.8 Ų | 80.8 | 38% | 0.378 | 45% | 0.451 | S | S | . | . | trans | -77 | 77.7 | 172.2 | -68.3 | 0 | 0 | 0 | 0 | 109 | V321 M322 T327 | V321-C325 VanDerWaalsContact O-CB 3.32Å; V321-C325 WeakPolarHBondContact O-CB 3.38Å; V321-C325 PolarHBondContact O-N 2.96Å; V321-C325 PolarHBondContact O-SG 3.46Å; M322-C325 CarbonylContact O-C 3.52Å; M322-C325 PolarHBondContact O-N 3.36Å; M322-C325 VanDerWaalsContact O-N 3.17Å; C325-T327 HydrophobicContact CB-CG2 4.42Å; C325-T327 PolarHBondContact O-N 3.43Å; C325-T327 PolarHBondContact O-OG1 2.84Å | ||
| 326 | N | 40.6 | Very low | 40.1 | Very low | 144 Ų | 144 | 82.1 Ų | 82.1 | 77% | 0.77 | 45% | 0.454 | S | S | * | . | trans | -63.6 | 49.7 | 172 | -111.7 | -19.5 | 0 | 0 | 0 | 112.5 | Q324 R328 | Q324-N326 PolarHBondContact O-N 3.33Å; N326-R328 PolarHBondContact O-N 3.42Å; N326-R328 VanDerWaalsContact O-N 3.11Å | ||
| 327 | T | 41.8 | Very low | 40.1 | Very low | 55 Ų | 55 | 79.7 Ų | 79.7 | 34% | 0.337 | 43% | 0.432 | S | S | . | . | trans | -75 | 101.8 | 177.9 | 52.1 | 0 | 0 | 0 | 0 | 108.2 | C325 S329 | C325-T327 HydrophobicContact CB-CG2 4.42Å; C325-T327 PolarHBondContact O-N 3.43Å; C325-T327 PolarHBondContact O-OG1 2.84Å; T327-S329 PolarHBondContact O-N 2.87Å; T327-S329 VanDerWaalsContact O-N 3.09Å | ||
| 328 | R | 46.9 | Very low | 40.5 | Very low | 238 Ų | 238 | 79.5 Ų | 79.5 | 90% | 0.898 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -67.8 | -3 | -174.3 | -69 | -177.5 | 176.5 | 179.9 | -1.3 | 114.6 | N326 | N326-R328 PolarHBondContact O-N 3.42Å; N326-R328 VanDerWaalsContact O-N 3.11Å |
| 329 | S | 42.1 | Very low | 41 | Very low | 43 Ų | 43 | 82.7 Ų | 82.7 | 30% | 0.301 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -145.4 | 143.4 | 171.4 | 82.6 | 0 | 0 | 0 | 0 | 111.6 | T327 S331 D332 A333 | T327-S329 PolarHBondContact O-N 2.87Å; T327-S329 VanDerWaalsContact O-N 3.09Å; S329-S331 PolarHBondContact O-N 3.43Å; S329-D332 PolarHBondContact O-N 2.73Å; S329-D332 VanDerWaalsContact O-N 3.15Å; S329-D332 PolarHBondContact OG-N 3.17Å; S329-D332 VanDerWaalsContact OG-N 3.12Å; S329-D332 PolarHBondContact OG-OD2 2.88Å; S329-A333 PolarHBondContact O-N 2.79Å |
| 330 | A | 40.9 | Very low | 41.2 | Very low | 64 Ų | 64 | 79 Ų | 79 | 53% | 0.529 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58 | -29.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | L334 | A330-L334 WeakPolarHBondContact O-CB 3.47Å; A330-L334 PolarHBondContact O-N 3.13Å |
| 331 | S | 43 | Very low | 41.3 | Very low | 73 Ų | 73 | 83.2 Ų | 83.2 | 51% | 0.51 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 173.7 | 164.7 | 0 | 0 | 0 | 0 | 112.2 | S329 A333 L334 N335 | S329-S331 PolarHBondContact O-N 3.43Å; S331-A333 VanDerWaalsContact C-N 3.35Å; S331-A333 PolarHBondContact O-N 2.83Å; S331-L334 PolarHBondContact O-N 2.93Å; S331-N335 PolarHBondContact O-N 3.16Å |
| 332 | D | 45.5 | Very low | 41.5 | Very low | 76 Ų | 76 | 82.9 Ų | 82.9 | 41% | 0.406 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.4 | -37 | -178.5 | -63.9 | -38.9 | 0 | 0 | 0 | 112 | S329 N335 K336 | S329-D332 PolarHBondContact O-N 2.73Å; S329-D332 VanDerWaalsContact O-N 3.15Å; S329-D332 PolarHBondContact OG-N 3.17Å; S329-D332 VanDerWaalsContact OG-N 3.12Å; S329-D332 PolarHBondContact OG-OD2 2.88Å; D332-N335 PolarHBondContact O-N 2.93Å; D332-K336 WeakPolarHBondContact O-CB 3.35Å; D332-K336 WeakPolarHBondContact O-CG 3.42Å; D332-K336 PolarHBondContact O-N 3.4Å |
| 333 | A | 42.7 | Very low | 41.8 | Very low | 24 Ų | 24 | 89.1 Ų | 89.1 | 20% | 0.198 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -60.8 | -49.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | S329 S331 N335 K336 V337 | S329-A333 PolarHBondContact O-N 2.79Å; S331-A333 VanDerWaalsContact C-N 3.35Å; S331-A333 PolarHBondContact O-N 2.83Å; A333-N335 PolarHBondContact O-N 3.38Å; A333-K336 PolarHBondContact O-N 3.41Å; A333-V337 VanDerWaalsContact O-CG2 3.26Å; A333-V337 WeakPolarHBondContact O-CG2 3.41Å; A333-V337 PolarHBondContact O-N 3.17Å |
| 334 | L | 41.3 | Very low | 41.7 | Very low | 42 Ų | 42 | 87.4 Ų | 87.4 | 22% | 0.22 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -58.1 | -46.2 | 176.4 | -105.8 | 133.3 | 0 | 0 | 0 | 112.6 | A330 S331 V337 L338 L356 L381 | A330-L334 WeakPolarHBondContact O-CB 3.47Å; A330-L334 PolarHBondContact O-N 3.13Å; S331-L334 PolarHBondContact O-N 2.93Å; L334-V337 PolarHBondContact O-N 2.88Å; L334-L338 HydrophobicContact CD2-CD1 3.91Å; L334-L338 WeakPolarHBondContact O-CB 3.35Å; L334-L338 VanDerWaalsContact O-CG 3.23Å; L334-L338 WeakPolarHBondContact O-CG 3.24Å; L334-L338 PolarHBondContact O-N 3.33Å; L334-L356 HydrophobicContact CD1-CD2 3.89Å; L334-L356 HydrophobicContact CD1-CG 4.4Å; L334-L381 HydrophobicContact CD2-CD2 4.05Å |
| 335 | N | 44.9 | Very low | 41.8 | Very low | 90 Ų | 90 | 81.8 Ų | 81.8 | 48% | 0.481 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 178.7 | -99.4 | -14.1 | 0 | 0 | 0 | 111.5 | S331 D332 A333 V337 L338 T339 | S331-N335 PolarHBondContact O-N 3.16Å; D332-N335 PolarHBondContact O-N 2.93Å; A333-N335 PolarHBondContact O-N 3.38Å; N335-V337 PolarHBondContact O-N 2.79Å; N335-L338 PolarHBondContact O-N 3.4Å; N335-L338 VanDerWaalsContact O-N 3.14Å; N335-T339 WeakPolarHBondContact O-CB 3.43Å; N335-T339 WeakPolarHBondContact O-CG2 3.32Å; N335-T339 PolarHBondContact O-N 3.24Å; N335-T339 PolarHBondContact O-OG1 3.02Å |
| 336 | K | 44 | Very low | 42 | Very low | 95 Ų | 95 | 86 Ų | 86 | 41% | 0.413 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.8 | -32.2 | 178.8 | -72.4 | 179.7 | 178.8 | -173.4 | 0 | 113.2 | D332 A333 G340 | D332-K336 WeakPolarHBondContact O-CB 3.35Å; D332-K336 WeakPolarHBondContact O-CG 3.42Å; D332-K336 PolarHBondContact O-N 3.4Å; A333-K336 PolarHBondContact O-N 3.41Å; K336-G340 PolarHBondContact O-N 3.46Å |
| 337 | V | 41.8 | Very low | 42 | Very low | 14 Ų | 14 | 82.7 Ų | 82.7 | 9% | 0.085 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -75.5 | -36.3 | 176 | 175.8 | 0 | 0 | 0 | 0 | 112.3 | A333 L334 N335 L348 Q349 S352 | A333-V337 VanDerWaalsContact O-CG2 3.26Å; A333-V337 WeakPolarHBondContact O-CG2 3.41Å; A333-V337 PolarHBondContact O-N 3.17Å; L334-V337 PolarHBondContact O-N 2.88Å; N335-V337 PolarHBondContact O-N 2.79Å; V337-L348 HydrophobicContact CG2-CB 3.64Å; V337-L348 HydrophobicContact CG2-CD1 4.27Å; V337-L348 HydrophobicContact CG2-CD2 3.74Å; V337-L348 HydrophobicContact CG2-CG 4.08Å; V337-Q349 HydrophobicContact CG1-CG 4.24Å; V337-S352 WeakPolarHBondContact CG2-OG 3.34Å |
| 338 | L | 41.2 | Very low | 41.8 | Very low | 60 Ų | 60 | 81.1 Ų | 81.1 | 31% | 0.314 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -80 | -33.2 | -179.5 | -68.6 | 172.2 | 0 | 0 | 0 | 113.1 | L334 N335 G340 I377 | L334-L338 HydrophobicContact CD2-CD1 3.91Å; L334-L338 WeakPolarHBondContact O-CB 3.35Å; L334-L338 VanDerWaalsContact O-CG 3.23Å; L334-L338 WeakPolarHBondContact O-CG 3.24Å; L334-L338 PolarHBondContact O-N 3.33Å; N335-L338 PolarHBondContact O-N 3.4Å; N335-L338 VanDerWaalsContact O-N 3.14Å; L338-G340 VanDerWaalsContact C-N 3.33Å; L338-I377 HydrophobicContact CD1-CG2 3.85Å; L338-I377 HydrophobicContact CD2-CG2 4.19Å |
| 339 | T | 46.2 | Very low | 41.6 | Very low | 86 Ų | 86 | 73.3 Ų | 73.3 | 53% | 0.528 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -80.9 | -13 | 178.5 | 59.7 | 0 | 0 | 0 | 0 | 113.3 | N335 E341 | N335-T339 WeakPolarHBondContact O-CB 3.43Å; N335-T339 WeakPolarHBondContact O-CG2 3.32Å; N335-T339 PolarHBondContact O-N 3.24Å; N335-T339 PolarHBondContact O-OG1 3.02Å; T339-E341 PolarHBondContact O-N 3.07Å |
| 340 | G | 41.8 | Very low | 41.6 | Very low | 39 Ų | 39 | 74.6 Ų | 74.6 | 40% | 0.402 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 14.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K336 L338 V342 | K336-G340 PolarHBondContact O-N 3.46Å; L338-G340 VanDerWaalsContact C-N 3.33Å; G340-V342 PolarHBondContact O-N 3.09Å; G340-V342 VanDerWaalsContact O-N 3.14Å |
| 341 | E | 40 | Very low | 41.5 | Very low | 153 Ų | 153 | 72.2 Ų | 72.2 | 72% | 0.715 | 39% | 0.389 | S | S | * | . | trans | -63.3 | -17.2 | -177.8 | -84.6 | -173.5 | 158.8 | 0 | 0 | 114.1 | T339 | T339-E341 PolarHBondContact O-N 3.07Š| ||
| 342 | V | 35.9 | Very low | 41.4 | Very low | 57 Ų | 57 | 69.3 Ų | 69.3 | 35% | 0.345 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -114.1 | 109.8 | 176.8 | -173.4 | 0 | 0 | 0 | 0 | 108.1 | G340 C344 V345 L348 | G340-V342 PolarHBondContact O-N 3.09Å; G340-V342 VanDerWaalsContact O-N 3.14Å; V342-C344 HydrophobicContact CG1-CB 4.01Å; V342-C344 CarbonylContact O-C 3.38Å; V342-C344 PolarHBondContact O-N 3.44Å; V342-V345 WeakPolarHBondContact O-CG2 3.39Å; V342-V345 PolarHBondContact O-N 3.32Å; V342-L348 HydrophobicContact CB-CD1 4.29Å; V342-L348 HydrophobicContact CG1-CD1 4.23Å |
| 343 | Q | 41.9 | Very low | 41.4 | Very low | 203 Ų | 203 | 66.3 Ų | 66.3 | 95% | 0.949 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -12 | 178 | -86.9 | -174.3 | -19.3 | 0 | 0 | 114.9 | V345 | Q343-V345 VanDerWaalsContact C-N 3.28Å; Q343-V345 PolarHBondContact O-N 3.06Å |
| 344 | C | 39.8 | Very low | 41.4 | Very low | 76 Ų | 76 | 68.5 Ų | 68.5 | 51% | 0.514 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 17.3 | 170.5 | -56.1 | 0 | 0 | 0 | 0 | 114.6 | V342 R346 S347 L348 | V342-C344 HydrophobicContact CG1-CB 4.01Å; V342-C344 CarbonylContact O-C 3.38Å; V342-C344 PolarHBondContact O-N 3.44Å; C344-R346 PolarHBondContact O-N 3.44Å; C344-S347 PolarHBondContact O-N 2.84Å; C344-L348 PolarHBondContact O-N 2.89Å |
| 345 | V | 38 | Very low | 41.4 | Very low | 29 Ų | 29 | 69 Ų | 69 | 18% | 0.176 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -44.2 | -29.4 | -175.5 | -175.2 | 0 | 0 | 0 | 0 | 113.9 | V342 Q343 L348 Q349 | V342-V345 WeakPolarHBondContact O-CG2 3.39Å; V342-V345 PolarHBondContact O-N 3.32Å; Q343-V345 VanDerWaalsContact C-N 3.28Å; Q343-V345 PolarHBondContact O-N 3.06Å; V345-L348 CarbonylContact O-C 3.39Å; V345-L348 WeakPolarHBondContact O-CB 3.45Å; V345-L348 PolarHBondContact O-N 3.15Å; V345-Q349 HydrophobicContact CG1-CG 4.27Å; V345-Q349 WeakPolarHBondContact O-CG 3.39Å; V345-Q349 PolarHBondContact O-N 2.77Å |
| 346 | R | 41.8 | Very low | 41.2 | Very low | 144 Ų | 144 | 65.7 Ų | 65.7 | 54% | 0.543 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -80.5 | -43 | -168.4 | -81.8 | 159.6 | 155.3 | -138.9 | 11.1 | 114.4 | I295 C344 L348 Q349 | I295-R346 HydrophobicContact CD1-CB 3.09Å; I295-R346 HydrophobicContact CD1-CG 3.01Å; I295-R346 HydrophobicContact CG1-CB 4.48Å; I295-R346 HydrophobicContact CG1-CG 4.46Å; C344-R346 PolarHBondContact O-N 3.44Å; R346-L348 PolarHBondContact O-N 3.48Å; R346-Q349 PolarHBondContact O-N 3.17Å |
| 347 | S | 40.4 | Very low | 41.2 | Very low | 75 Ų | 75 | 68.9 Ų | 68.9 | 52% | 0.524 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.8 | -33.8 | 167.1 | -48.5 | 0 | 0 | 0 | 0 | 110.5 | C344 F350 I351 | C344-S347 PolarHBondContact O-N 2.84Å; S347-F350 PolarHBondContact O-N 3.4Å; S347-I351 WeakPolarHBondContact O-CD1 3.43Å; S347-I351 WeakPolarHBondContact O-CG1 3.33Å; S347-I351 PolarHBondContact O-N 2.74Å |
| 348 | L | 37 | Very low | 41.3 | Very low | 22 Ų | 22 | 79.3 Ų | 79.3 | 12% | 0.115 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -69.5 | -31.5 | 176.7 | -92.2 | 161.4 | 0 | 0 | 0 | 113.2 | V337 V342 C344 V345 R346 F350 I351 S352 | V337-L348 HydrophobicContact CG2-CB 3.64Å; V337-L348 HydrophobicContact CG2-CD1 4.27Å; V337-L348 HydrophobicContact CG2-CD2 3.74Å; V337-L348 HydrophobicContact CG2-CG 4.08Å; V342-L348 HydrophobicContact CB-CD1 4.29Å; V342-L348 HydrophobicContact CG1-CD1 4.23Å; C344-L348 PolarHBondContact O-N 2.89Å; V345-L348 CarbonylContact O-C 3.39Å; V345-L348 WeakPolarHBondContact O-CB 3.45Å; V345-L348 PolarHBondContact O-N 3.15Å; R346-L348 PolarHBondContact O-N 3.48Å; L348-F350 VanDerWaalsContact C-N 3.3Å; L348-F350 PolarHBondContact O-N 2.7Å; L348-I351 HydrophobicContact CD2-CG2 4.39Å; L348-I351 PolarHBondContact O-N 2.81Å; L348-S352 WeakPolarHBondContact O-CA 3.41Å; L348-S352 WeakPolarHBondContact O-CB 3.16Å; L348-S352 PolarHBondContact O-N 3.14Å; L348-S352 PolarHBondContact O-OG 3.37Å |
| 349 | Q | 42.5 | Very low | 41.4 | Very low | 74 Ų | 74 | 79.6 Ų | 79.6 | 35% | 0.346 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 172.2 | -82 | 170.2 | -11.2 | 0 | 0 | 111.3 | V337 V345 R346 S352 A353 | V337-Q349 HydrophobicContact CG1-CG 4.24Å; V345-Q349 HydrophobicContact CG1-CG 4.27Å; V345-Q349 WeakPolarHBondContact O-CG 3.39Å; V345-Q349 PolarHBondContact O-N 2.77Å; R346-Q349 PolarHBondContact O-N 3.17Å; Q349-S352 PolarHBondContact O-N 2.68Å; Q349-A353 WeakPolarHBondContact O-CB 3.43Å; Q349-A353 PolarHBondContact O-N 3.05Å |
| 350 | F | 42.7 | Very low | 41.4 | Very low | 70 Ų | 70 | 76.5 Ų | 76.5 | 31% | 0.307 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.1 | -44.3 | 176.1 | -174.9 | -101.7 | 0 | 0 | 0 | 112.1 | A308 W311 S347 L348 S352 A353 L354 | A308-F350 HydrophobicContact CB-CE2 4.33Å; A308-F350 HydrophobicContact CB-CZ 4.46Å; W311-F350 HydrophobicContact CE3-CE2 4.09Å; W311-F350 HydrophobicContact CE3-CZ 4.31Å; W311-F350 HydrophobicContact CZ3-CD2 4.3Å; W311-F350 AromaticContact CZ3-CE2 3.99Å; W311-F350 HydrophobicContact CZ3-CE2 3.99Å; S347-F350 PolarHBondContact O-N 3.4Å; L348-F350 VanDerWaalsContact C-N 3.3Å; L348-F350 PolarHBondContact O-N 2.7Å; F350-S352 VanDerWaalsContact C-N 3.32Å; F350-S352 PolarHBondContact O-N 3.45Å; F350-A353 WeakPolarHBondContact O-CB 3.39Å; F350-A353 PolarHBondContact O-N 2.76Å; F350-L354 HydrophobicContact CD1-CD1 3.87Å; F350-L354 HydrophobicContact CE1-CD1 3.52Å; F350-L354 HydrophobicContact CE1-CG 4.5Å; F350-L354 HydrophobicContact CZ-CD1 4.11Å; F350-L354 PolarHBondContact O-N 3.41Å |
| 351 | I | 39.7 | Very low | 42 | Very low | 14 Ų | 14 | 80.7 Ų | 80.7 | 7% | 0.072 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 172.1 | -73.6 | 161.1 | 0 | 0 | 0 | 111.1 | A318 M322 S347 L348 A353 L354 A355 | A318-I351 HydrophobicContact CB-CD1 4.07Å; A318-I351 HydrophobicContact CB-CG1 4.34Å; M322-I351 HydrophobicContact CE-CG1 4.07Å; M322-I351 HydrophobicContact CG-CB 4.43Å; M322-I351 HydrophobicContact CG-CD1 3.69Å; M322-I351 HydrophobicContact CG-CG1 3.98Å; M322-I351 HydrophobicContact CG-CG2 3.62Å; M322-I351 HydrophobicContact SD-CB 4.1Å; M322-I351 HydrophobicContact SD-CD1 4.24Å; M322-I351 HydrophobicContact SD-CG1 3.83Å; M322-I351 HydrophobicContact SD-CG2 3.27Å; M322-I351 WeakPolarHBondContact SD-CG2 3.27Å; S347-I351 WeakPolarHBondContact O-CD1 3.43Å; S347-I351 WeakPolarHBondContact O-CG1 3.33Å; S347-I351 PolarHBondContact O-N 2.74Å; L348-I351 HydrophobicContact CD2-CG2 4.39Å; L348-I351 PolarHBondContact O-N 2.81Å; I351-A353 VanDerWaalsContact C-N 3.34Å; I351-L354 CarbonylContact O-C 3.45Å; I351-L354 WeakPolarHBondContact O-CB 3.36Å; I351-L354 PolarHBondContact O-N 2.95Å; I351-L354 VanDerWaalsContact O-N 3.17Å; I351-A355 WeakPolarHBondContact O-CB 3.39Å; I351-A355 PolarHBondContact O-N 2.93Å |
| 352 | S | 40.5 | Very low | 42.4 | Very low | 12 Ų | 12 | 84.2 Ų | 84.2 | 8% | 0.084 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 178.1 | -70.1 | 0 | 0 | 0 | 0 | 111.1 | V337 L348 Q349 F350 L354 A355 L356 | V337-S352 WeakPolarHBondContact CG2-OG 3.34Å; L348-S352 WeakPolarHBondContact O-CA 3.41Å; L348-S352 WeakPolarHBondContact O-CB 3.16Å; L348-S352 PolarHBondContact O-N 3.14Å; L348-S352 PolarHBondContact O-OG 3.37Å; Q349-S352 PolarHBondContact O-N 2.68Å; F350-S352 VanDerWaalsContact C-N 3.32Å; F350-S352 PolarHBondContact O-N 3.45Å; S352-L354 VanDerWaalsContact C-N 3.32Å; S352-L354 PolarHBondContact O-N 3.26Å; S352-A355 PolarHBondContact O-N 2.82Å; S352-L356 WeakPolarHBondContact O-CB 3.11Å; S352-L356 WeakPolarHBondContact O-CD1 3.11Å; S352-L356 WeakPolarHBondContact O-CG 3.45Å; S352-L356 PolarHBondContact O-N 3.43Å |
| 353 | A | 44.7 | Very low | 43 | Very low | 14 Ų | 14 | 86.2 Ų | 86.2 | 12% | 0.116 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61 | -41.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q349 F350 I351 R357 L384 V388 | Q349-A353 WeakPolarHBondContact O-CB 3.43Å; Q349-A353 PolarHBondContact O-N 3.05Å; F350-A353 WeakPolarHBondContact O-CB 3.39Å; F350-A353 PolarHBondContact O-N 2.76Å; I351-A353 VanDerWaalsContact C-N 3.34Å; A353-R357 WeakPolarHBondContact O-CB 3.48Å; A353-R357 PolarHBondContact O-N 2.93Å; A353-L384 HydrophobicContact CB-CD2 3.82Å; A353-V388 HydrophobicContact CB-CG2 4.04Å |
| 354 | L | 42.8 | Very low | 43.3 | Very low | 70 Ų | 70 | 76.7 Ų | 76.7 | 37% | 0.366 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71.3 | -37.6 | 176.3 | -75.7 | 167.5 | 0 | 0 | 0 | 113.4 | F350 I351 S352 R357 R358 | F350-L354 HydrophobicContact CD1-CD1 3.87Å; F350-L354 HydrophobicContact CE1-CD1 3.52Å; F350-L354 HydrophobicContact CE1-CG 4.5Å; F350-L354 HydrophobicContact CZ-CD1 4.11Å; F350-L354 PolarHBondContact O-N 3.41Å; I351-L354 CarbonylContact O-C 3.45Å; I351-L354 WeakPolarHBondContact O-CB 3.36Å; I351-L354 PolarHBondContact O-N 2.95Å; I351-L354 VanDerWaalsContact O-N 3.17Å; S352-L354 VanDerWaalsContact C-N 3.32Å; S352-L354 PolarHBondContact O-N 3.26Å; L354-R357 WeakPolarHBondContact O-CB 3.44Å; L354-R357 PolarHBondContact O-N 2.75Å; L354-R358 PolarHBondContact O-N 3.16Å; L354-R358 VanDerWaalsContact O-N 3.15Å |
| 355 | A | 41 | Very low | 43.4 | Very low | 53 Ų | 53 | 77.7 Ų | 77.7 | 44% | 0.438 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69 | -42.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | I351 S352 R358 S359 | I351-A355 WeakPolarHBondContact O-CB 3.39Å; I351-A355 PolarHBondContact O-N 2.93Å; S352-A355 PolarHBondContact O-N 2.82Å; A355-R358 PolarHBondContact O-N 3.08Å; A355-R358 VanDerWaalsContact O-N 3.08Å; A355-S359 PolarHBondContact O-N 3.18Å; A355-S359 PolarHBondContact O-OG 3.29Å |
| 356 | L | 41.9 | Very low | 43.9 | Very low | 20 Ų | 20 | 83.1 Ų | 83.1 | 11% | 0.105 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61 | -42.9 | 171.6 | -78 | 165.7 | 0 | 0 | 0 | 111 | L334 S352 R358 S359 L360 L381 | L334-L356 HydrophobicContact CD1-CD2 3.89Å; L334-L356 HydrophobicContact CD1-CG 4.4Å; S352-L356 WeakPolarHBondContact O-CB 3.11Å; S352-L356 WeakPolarHBondContact O-CD1 3.11Å; S352-L356 WeakPolarHBondContact O-CG 3.45Å; S352-L356 PolarHBondContact O-N 3.43Å; L356-R358 PolarHBondContact O-N 3.31Å; L356-S359 WeakPolarHBondContact CA-OG 3.26Å; L356-S359 PolarHBondContact O-N 2.76Å; L356-S359 PolarHBondContact O-OG 3.24Å; L356-L360 HydrophobicContact CB-CD1 3.99Å; L356-L360 HydrophobicContact CB-CG 4.25Å; L356-L360 HydrophobicContact CD2-CD1 3.77Å; L356-L360 HydrophobicContact CD2-CD2 4.16Å; L356-L360 HydrophobicContact CD2-CG 3.85Å; L356-L360 HydrophobicContact CG-CD1 4.44Å; L356-L360 WeakPolarHBondContact O-CA 2.91Å; L356-L360 WeakPolarHBondContact O-CB 3.28Å; L356-L360 VanDerWaalsContact O-CG 3.26Å; L356-L360 WeakPolarHBondContact O-CG 3.41Å; L356-L360 PolarHBondContact O-N 2.93Å; L356-L381 HydrophobicContact CD1-CD2 4.03Å |
| 357 | R | 43.1 | Very low | 44.1 | Very low | 161 Ų | 161 | 80.2 Ų | 80.2 | 61% | 0.608 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -53.4 | -39.3 | 171.3 | 174.1 | -173.4 | 176.2 | 179 | 2.8 | 112 | A353 L354 V388 | A353-R357 WeakPolarHBondContact O-CB 3.48Å; A353-R357 PolarHBondContact O-N 2.93Å; L354-R357 WeakPolarHBondContact O-CB 3.44Å; L354-R357 PolarHBondContact O-N 2.75Å; R357-V388 HydrophobicContact CB-CG1 4.14Å |
| 358 | R | 44.5 | Very low | 44.3 | Very low | 233 Ų | 233 | 77.6 Ų | 77.6 | 88% | 0.879 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -79.2 | -30.5 | -179.7 | -159.7 | 175.4 | 178.3 | 165.7 | -0.2 | 113.1 | L354 A355 L356 | L354-R358 PolarHBondContact O-N 3.16Å; L354-R358 VanDerWaalsContact O-N 3.15Å; A355-R358 PolarHBondContact O-N 3.08Å; A355-R358 VanDerWaalsContact O-N 3.08Å; L356-R358 PolarHBondContact O-N 3.31Å |
| 359 | S | 43.3 | Very low | 44.8 | Very low | 67 Ų | 67 | 83 Ų | 83 | 47% | 0.469 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -91.9 | -32 | -177.8 | 65 | 0 | 0 | 0 | 0 | 114.3 | A355 L356 | A355-S359 PolarHBondContact O-N 3.18Å; A355-S359 PolarHBondContact O-OG 3.29Å; L356-S359 WeakPolarHBondContact CA-OG 3.26Å; L356-S359 PolarHBondContact O-N 2.76Å; L356-S359 PolarHBondContact O-OG 3.24Å |
| 360 | L | 46.3 | Very low | 45.1 | Very low | 20 Ų | 20 | 85.2 Ų | 85.2 | 11% | 0.105 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -84.8 | -19.8 | -168.5 | -69.9 | -176.9 | 0 | 0 | 0 | 113.8 | L356 R362 N363 A364 I367 | L356-L360 HydrophobicContact CB-CD1 3.99Å; L356-L360 HydrophobicContact CB-CG 4.25Å; L356-L360 HydrophobicContact CD2-CD1 3.77Å; L356-L360 HydrophobicContact CD2-CD2 4.16Å; L356-L360 HydrophobicContact CD2-CG 3.85Å; L356-L360 HydrophobicContact CG-CD1 4.44Å; L356-L360 WeakPolarHBondContact O-CA 2.91Å; L356-L360 WeakPolarHBondContact O-CB 3.28Å; L356-L360 VanDerWaalsContact O-CG 3.26Å; L356-L360 WeakPolarHBondContact O-CG 3.41Å; L356-L360 PolarHBondContact O-N 2.93Å; L360-R362 CarbonylContact O-C 3.57Å; L360-R362 PolarHBondContact O-N 2.98Å; L360-N363 CarbonylContact O-C 3.52Å; L360-N363 WeakPolarHBondContact O-CA 3.49Å; L360-N363 PolarHBondContact O-N 3.28Å; L360-A364 HydrophobicContact CB-CB 4.01Å; L360-A364 HydrophobicContact CD1-CB 4.26Å; L360-A364 PolarHBondContact O-N 3.44Å; L360-I367 HydrophobicContact CD2-CB 4.13Å; L360-I367 HydrophobicContact CD2-CD1 3.32Å; L360-I367 HydrophobicContact CD2-CG1 4.3Å; L360-I367 HydrophobicContact CD2-CG2 4.2Å |
| 361 | D | 53.3 | Low | 45.5 | Very low | 127 Ų | 127 | 83.1 Ų | 83.1 | 68% | 0.679 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 8.1 | -95.1 | -177.4 | -166.4 | 28.6 | 0 | 0 | 0 | 113.8 | ||
| 362 | R | 49.4 | Very low | 46.4 | Very low | 228 Ų | 228 | 90.7 Ų | 90.7 | 86% | 0.86 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 2.3 | 177.2 | -62.5 | -174 | -178 | -167.7 | -0.9 | 116.2 | L360 | L360-R362 CarbonylContact O-C 3.57Å; L360-R362 PolarHBondContact O-N 2.98Å |
| 363 | N | 49.1 | Very low | 47 | Very low | 98 Ų | 98 | 93 Ų | 93 | 52% | 0.524 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 3.4 | -178.1 | -73.6 | -27.6 | 0 | 0 | 0 | 114.1 | L360 D365 K366 I367 | L360-N363 CarbonylContact O-C 3.52Å; L360-N363 WeakPolarHBondContact O-CA 3.49Å; L360-N363 PolarHBondContact O-N 3.28Å; N363-D365 VanDerWaalsContact C-N 3.3Å; N363-D365 PolarHBondContact O-N 2.89Å; N363-K366 PolarHBondContact O-N 3.48Å; N363-I367 HydrophobicContact CB-CD1 4.41Å; N363-I367 PolarHBondContact O-N 2.97Å |
| 364 | A | 47.5 | Very low | 47.3 | Very low | 3 Ų | 3 | 95.5 Ų | 95.5 | 3% | 0.025 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -51.9 | -47.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L360 K366 I367 L368 F389 | L360-A364 HydrophobicContact CB-CB 4.01Å; L360-A364 HydrophobicContact CD1-CB 4.26Å; L360-A364 PolarHBondContact O-N 3.44Å; A364-K366 PolarHBondContact O-N 3.06Å; A364-I367 PolarHBondContact O-N 3.35Å; A364-L368 HydrophobicContact CB-CD1 4.46Å; A364-L368 WeakPolarHBondContact O-CB 3.5Å; A364-L368 VanDerWaalsContact O-CG 3.27Å; A364-L368 WeakPolarHBondContact O-CG 3.2Å; A364-L368 PolarHBondContact O-N 3.14Å; A364-F389 HydrophobicContact CB-CE2 3.81Å; A364-F389 HydrophobicContact CB-CZ 3.95Å |
| 365 | D | 42.8 | Very low | 47.7 | Very low | 97 Ų | 97 | 99.5 Ų | 99.5 | 52% | 0.519 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | -175.6 | -60.3 | -29.8 | 0 | 0 | 0 | 111.7 | N363 I367 L368 F369 | N363-D365 VanDerWaalsContact C-N 3.3Å; N363-D365 PolarHBondContact O-N 2.89Å; D365-I367 VanDerWaalsContact C-N 3.32Å; D365-I367 PolarHBondContact O-N 2.85Å; D365-L368 PolarHBondContact O-N 3.27Å; D365-F369 HydrophobicContact CB-CD2 4.15Å; D365-F369 HydrophobicContact CB-CE2 4.41Å; D365-F369 WeakPolarHBondContact O-CB 3.5Å; D365-F369 WeakPolarHBondContact O-CD2 3.45Å; D365-F369 PolarHBondContact O-N 3.25Å |
| 366 | K | 46.9 | Very low | 48.1 | Very low | 143 Ų | 143 | 103 Ų | 103 | 62% | 0.622 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.7 | -42.3 | 175.2 | -94.1 | -175.6 | 171.9 | 178.2 | 0 | 112.1 | N363 A364 D370 | N363-K366 PolarHBondContact O-N 3.48Å; A364-K366 PolarHBondContact O-N 3.06Å; K366-D370 WeakPolarHBondContact O-CA 3.45Å; K366-D370 VanDerWaalsContact O-CB 3.24Å; K366-D370 WeakPolarHBondContact O-CB 3.26Å; K366-D370 PolarHBondContact O-N 3.02Å |
| 367 | I | 46.7 | Very low | 48.3 | Very low | 84 Ų | 84 | 103.7 Ų | 103.7 | 43% | 0.431 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -73.5 | -37.6 | -177.8 | -68.8 | 164.2 | 0 | 0 | 0 | 111.2 | L360 N363 A364 D365 S371 | L360-I367 HydrophobicContact CD2-CB 4.13Å; L360-I367 HydrophobicContact CD2-CD1 3.32Å; L360-I367 HydrophobicContact CD2-CG1 4.3Å; L360-I367 HydrophobicContact CD2-CG2 4.2Å; N363-I367 HydrophobicContact CB-CD1 4.41Å; N363-I367 PolarHBondContact O-N 2.97Å; A364-I367 PolarHBondContact O-N 3.35Å; D365-I367 VanDerWaalsContact C-N 3.32Å; D365-I367 PolarHBondContact O-N 2.85Å; I367-S371 WeakPolarHBondContact O-CB 3.14Å; I367-S371 PolarHBondContact O-OG 3.35Å |
| 368 | L | 44.6 | Very low | 48.6 | Very low | 20 Ų | 20 | 98.3 Ų | 98.3 | 11% | 0.105 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -74 | -42.6 | -179 | -70.8 | 167.2 | 0 | 0 | 0 | 112.2 | A364 D365 L381 I382 A385 | A364-L368 HydrophobicContact CB-CD1 4.46Å; A364-L368 WeakPolarHBondContact O-CB 3.5Å; A364-L368 VanDerWaalsContact O-CG 3.27Å; A364-L368 WeakPolarHBondContact O-CG 3.2Å; A364-L368 PolarHBondContact O-N 3.14Å; D365-L368 PolarHBondContact O-N 3.27Å; L368-L381 HydrophobicContact CD2-CB 4.15Å; L368-I382 HydrophobicContact CD2-CG1 4.09Å; L368-A385 HydrophobicContact CD1-CB 3.72Å; L368-A385 HydrophobicContact CD2-CB 4.07Å |
| 369 | F | 47.5 | Very low | 48.8 | Very low | 135 Ų | 135 | 90.7 Ų | 90.7 | 59% | 0.592 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -91.1 | -40.6 | -174.3 | -63.8 | -68.2 | 0 | 0 | 0 | 113.1 | D365 K378 | D365-F369 HydrophobicContact CB-CD2 4.15Å; D365-F369 HydrophobicContact CB-CE2 4.41Å; D365-F369 WeakPolarHBondContact O-CB 3.5Å; D365-F369 WeakPolarHBondContact O-CD2 3.45Å; D365-F369 PolarHBondContact O-N 3.25Å; F369-K378 PolarHBondContact O-NZ 3.4Å |
| 370 | D | 49.5 | Very low | 49.1 | Very low | 120 Ų | 120 | 93.8 Ų | 93.8 | 64% | 0.642 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -93 | -0.5 | -172.8 | -57.7 | -28.6 | 0 | 0 | 0 | 114.7 | K366 | K366-D370 WeakPolarHBondContact O-CA 3.45Å; K366-D370 VanDerWaalsContact O-CB 3.24Å; K366-D370 WeakPolarHBondContact O-CB 3.26Å; K366-D370 PolarHBondContact O-N 3.02Å |
| 371 | S | 50.9 | Low | 49.2 | Very low | 26 Ų | 26 | 94 Ų | 94 | 18% | 0.182 | 46% | 0.457 | C | S | . | . | trans | -74.3 | 143.5 | 179.7 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | I367 L373 K378 | I367-S371 WeakPolarHBondContact O-CB 3.14Å; I367-S371 PolarHBondContact O-OG 3.35Å; S371-L373 PolarHBondContact O-N 3.23Å; S371-K378 WeakPolarHBondContact O-CE 3.45Å; S371-K378 PolarHBondContact O-NZ 3.32Å | ||
| 372 | N | 58 | Low | 48.8 | Very low | 173 Ų | 173 | 90.2 Ų | 90.2 | 93% | 0.925 | 44% | 0.436 | S | S | * | . | trans | -77.9 | 23.5 | 173.6 | -76.6 | -23 | 0 | 0 | 0 | 113.4 | ||||
| 373 | L | 52.4 | Low | 48.7 | Very low | 62 Ų | 62 | 82.8 Ų | 82.8 | 33% | 0.325 | 42% | 0.419 | S | S | . | . | trans | -70.8 | 142.9 | -176.5 | -71.7 | 170.4 | 0 | 0 | 0 | 111.6 | S371 I377 K378 L381 | S371-L373 PolarHBondContact O-N 3.23Å; L373-I377 HydrophobicContact CD1-CG2 4.41Å; L373-I377 HydrophobicContact CD2-CG2 4.38Å; L373-K378 HydrophobicContact CB-CG 3.86Å; L373-K378 WeakPolarHBondContact O-CE 3.33Å; L373-L381 HydrophobicContact CD1-CD1 3.6Å | ||
| 374 | P | 52.6 | Low | 48.6 | Very low | 66 Ų | 66 | 80.3 Ų | 80.3 | 43% | 0.429 | 41% | 0.406 | S | S | . | . | trans | -53.7 | 141.4 | 171 | -25.9 | 33.2 | 0 | 0 | 0 | 112.4 | H376 I377 K378 | P374-H376 VanDerWaalsContact C-N 3.28Å; P374-H376 PolarHBondContact O-N 3.45Å; P374-H376 VanDerWaalsContact O-N 3.13Å; P374-I377 HydrophobicContact CB-CD1 4.42Å; P374-I377 HydrophobicContact CB-CG1 4.33Å; P374-I377 HydrophobicContact CG-CD1 4.16Å; P374-I377 WeakPolarHBondContact O-CA 3.23Å; P374-I377 WeakPolarHBondContact O-CB 3.38Å; P374-I377 PolarHBondContact O-N 3.09Å; P374-K378 PolarHBondContact O-N 3.11Å | ||
| 375 | F | 50.4 | Low | 48.4 | Very low | 154 Ų | 154 | 80.7 Ų | 80.7 | 68% | 0.675 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -53.7 | -39.1 | -171.9 | -172 | -105.1 | 0 | 0 | 0 | 114.3 | I377 K378 N379 | F375-I377 VanDerWaalsContact C-N 3.3Å; F375-I377 PolarHBondContact O-N 3.15Å; F375-K378 PolarHBondContact O-N 3.28Å; F375-N379 WeakPolarHBondContact CE1-ND2 3.48Å; F375-N379 PolarHBondContact O-N 3.39Å |
| 376 | H | 48.8 | Very low | 48.3 | Very low | 125 Ų | 125 | 82.7 Ų | 82.7 | 58% | 0.579 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -67.4 | -28.9 | 178.1 | 68 | -85.5 | 0 | 0 | 0 | 113.2 | P374 K380 | P374-H376 VanDerWaalsContact C-N 3.28Å; P374-H376 PolarHBondContact O-N 3.45Å; P374-H376 VanDerWaalsContact O-N 3.13Å; H376-K380 PolarHBondContact O-N 2.99Å |
| 377 | I | 47.6 | Very low | 48 | Very low | 36 Ų | 36 | 78.9 Ų | 78.9 | 19% | 0.185 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -76.7 | -43.8 | 174.6 | -57.8 | -172.7 | 0 | 0 | 0 | 109.7 | L338 L373 P374 F375 N379 K380 L381 | L338-I377 HydrophobicContact CD1-CG2 3.85Å; L338-I377 HydrophobicContact CD2-CG2 4.19Å; L373-I377 HydrophobicContact CD1-CG2 4.41Å; L373-I377 HydrophobicContact CD2-CG2 4.38Å; P374-I377 HydrophobicContact CB-CD1 4.42Å; P374-I377 HydrophobicContact CB-CG1 4.33Å; P374-I377 HydrophobicContact CG-CD1 4.16Å; P374-I377 WeakPolarHBondContact O-CA 3.23Å; P374-I377 WeakPolarHBondContact O-CB 3.38Å; P374-I377 PolarHBondContact O-N 3.09Å; F375-I377 VanDerWaalsContact C-N 3.3Å; F375-I377 PolarHBondContact O-N 3.15Å; I377-N379 VanDerWaalsContact C-N 3.32Å; I377-N379 PolarHBondContact O-N 2.71Å; I377-K380 PolarHBondContact O-N 3.31Å; I377-L381 HydrophobicContact CG2-CD1 4.04Å; I377-L381 PolarHBondContact O-N 3.21Å |
| 378 | K | 48.3 | Very low | 47.7 | Very low | 47 Ų | 47 | 76.4 Ų | 76.4 | 20% | 0.204 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -55 | -47.1 | 173.2 | -73 | -167.7 | 177.3 | -167.6 | 0 | 111.4 | F369 S371 L373 P374 F375 K380 L381 I382 | F369-K378 PolarHBondContact O-NZ 3.4Å; S371-K378 WeakPolarHBondContact O-CE 3.45Å; S371-K378 PolarHBondContact O-NZ 3.32Å; L373-K378 HydrophobicContact CB-CG 3.86Å; L373-K378 WeakPolarHBondContact O-CE 3.33Å; P374-K378 PolarHBondContact O-N 3.11Å; F375-K378 PolarHBondContact O-N 3.28Å; K378-K380 VanDerWaalsContact C-N 3.34Å; K378-K380 PolarHBondContact O-N 2.94Å; K378-L381 PolarHBondContact O-N 3.46Å; K378-L381 VanDerWaalsContact O-N 3.16Å; K378-I382 HydrophobicContact CB-CD1 4.4Å; K378-I382 WeakPolarHBondContact O-CB 3.34Å; K378-I382 WeakPolarHBondContact O-CG1 3.49Å; K378-I382 PolarHBondContact O-N 2.9Å |
| 379 | N | 49.4 | Very low | 47.1 | Very low | 74 Ų | 74 | 79.7 Ų | 79.7 | 40% | 0.396 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 180 | -73.4 | -9.9 | 0 | 0 | 0 | 113.2 | F375 I377 S383 | F375-N379 WeakPolarHBondContact CE1-ND2 3.48Å; F375-N379 PolarHBondContact O-N 3.39Å; I377-N379 VanDerWaalsContact C-N 3.32Å; I377-N379 PolarHBondContact O-N 2.71Å; N379-S383 WeakPolarHBondContact O-CB 3.19Å; N379-S383 PolarHBondContact O-N 2.77Å |
| 380 | K | 48.6 | Very low | 46.6 | Very low | 132 Ų | 132 | 79.9 Ų | 79.9 | 57% | 0.574 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -68.9 | -38.8 | 174.3 | -78.3 | -178 | 178.8 | 177.5 | 0 | 112.4 | H376 I377 K378 S383 L384 | H376-K380 PolarHBondContact O-N 2.99Å; I377-K380 PolarHBondContact O-N 3.31Å; K378-K380 VanDerWaalsContact C-N 3.34Å; K378-K380 PolarHBondContact O-N 2.94Å; K380-S383 PolarHBondContact O-OG 3.36Å; K380-L384 WeakPolarHBondContact O-CB 3.33Å; K380-L384 WeakPolarHBondContact O-CD1 3.11Å; K380-L384 PolarHBondContact O-N 3.23Å |
| 381 | L | 48.1 | Very low | 46.2 | Very low | 23 Ų | 23 | 76.6 Ų | 76.6 | 12% | 0.12 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68.1 | -40.6 | 175.8 | -89.6 | 162.6 | 0 | 0 | 0 | 111.9 | L334 L356 L368 L373 I377 K378 L384 A385 | L334-L381 HydrophobicContact CD2-CD2 4.05Å; L356-L381 HydrophobicContact CD1-CD2 4.03Å; L368-L381 HydrophobicContact CD2-CB 4.15Å; L373-L381 HydrophobicContact CD1-CD1 3.6Å; I377-L381 HydrophobicContact CG2-CD1 4.04Å; I377-L381 PolarHBondContact O-N 3.21Å; K378-L381 PolarHBondContact O-N 3.46Å; K378-L381 VanDerWaalsContact O-N 3.16Å; L381-L384 PolarHBondContact O-N 3.41Å; L381-A385 WeakPolarHBondContact O-CB 3.27Å; L381-A385 PolarHBondContact O-N 2.89Å |
| 382 | I | 46 | Very low | 45.4 | Very low | 48 Ų | 48 | 81.3 Ų | 81.3 | 25% | 0.246 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 175 | -71 | 166.4 | 0 | 0 | 0 | 109.5 | L368 K378 L384 A385 Y386 | L368-I382 HydrophobicContact CD2-CG1 4.09Å; K378-I382 HydrophobicContact CB-CD1 4.4Å; K378-I382 WeakPolarHBondContact O-CB 3.34Å; K378-I382 WeakPolarHBondContact O-CG1 3.49Å; K378-I382 PolarHBondContact O-N 2.9Å; I382-L384 VanDerWaalsContact C-N 3.34Å; I382-L384 PolarHBondContact O-N 3.04Å; I382-A385 PolarHBondContact O-N 3Å; I382-Y386 HydrophobicContact CG2-CD2 3.51Å; I382-Y386 HydrophobicContact CG2-CE2 3.56Å; I382-Y386 WeakPolarHBondContact O-CB 3.4Å; I382-Y386 VanDerWaalsContact O-CD2 3.28Å; I382-Y386 WeakPolarHBondContact O-CD2 3.46Å; I382-Y386 PolarHBondContact O-N 3.13Å |
| 383 | S | 46.4 | Very low | 44.2 | Very low | 72 Ų | 72 | 77.4 Ų | 77.4 | 50% | 0.503 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 177.1 | 73.7 | 0 | 0 | 0 | 0 | 112.2 | N379 K380 Y387 | N379-S383 WeakPolarHBondContact O-CB 3.19Å; N379-S383 PolarHBondContact O-N 2.77Å; K380-S383 PolarHBondContact O-OG 3.36Å; S383-Y387 WeakPolarHBondContact O-CB 3.46Å; S383-Y387 PolarHBondContact O-N 2.88Å |
| 384 | L | 48.1 | Very low | 43.3 | Very low | 47 Ų | 47 | 85.6 Ų | 85.6 | 25% | 0.246 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -67.1 | -39.6 | 173.8 | -99.5 | 127.4 | 0 | 0 | 0 | 113 | A353 K380 L381 I382 Y387 V388 | A353-L384 HydrophobicContact CB-CD2 3.82Å; K380-L384 WeakPolarHBondContact O-CB 3.33Å; K380-L384 WeakPolarHBondContact O-CD1 3.11Å; K380-L384 PolarHBondContact O-N 3.23Å; L381-L384 PolarHBondContact O-N 3.41Å; I382-L384 VanDerWaalsContact C-N 3.34Å; I382-L384 PolarHBondContact O-N 3.04Å; L384-Y387 VanDerWaalsContact O-CB 3.24Å; L384-Y387 WeakPolarHBondContact O-CB 3.19Å; L384-Y387 PolarHBondContact O-N 3.48Å; L384-V388 WeakPolarHBondContact O-CG2 3.39Å; L384-V388 PolarHBondContact O-N 2.78Å |
| 385 | A | 42.4 | Very low | 42.9 | Very low | 10 Ų | 10 | 86.6 Ų | 86.6 | 8% | 0.083 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.5 | -40.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L368 L381 I382 Y387 V388 F389 | L368-A385 HydrophobicContact CD1-CB 3.72Å; L368-A385 HydrophobicContact CD2-CB 4.07Å; L381-A385 WeakPolarHBondContact O-CB 3.27Å; L381-A385 PolarHBondContact O-N 2.89Å; I382-A385 PolarHBondContact O-N 3Å; A385-Y387 VanDerWaalsContact C-N 3.28Å; A385-Y387 PolarHBondContact O-N 3.49Å; A385-V388 CarbonylContact O-C 3.55Å; A385-V388 WeakPolarHBondContact O-CB 3.39Å; A385-V388 PolarHBondContact O-N 3.12Å; A385-V388 VanDerWaalsContact O-N 3.09Å; A385-F389 WeakPolarHBondContact O-CB 3.13Å; A385-F389 WeakPolarHBondContact O-CD2 3.24Å; A385-F389 PolarHBondContact O-N 3.2Å |
| 386 | Y | 40.6 | Very low | 42.5 | Very low | 139 Ų | 139 | 83 Ų | 83 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 171.3 | -90.5 | -72.2 | 0 | 0 | 0 | 111.6 | I382 V388 F389 F390 | I382-Y386 HydrophobicContact CG2-CD2 3.51Å; I382-Y386 HydrophobicContact CG2-CE2 3.56Å; I382-Y386 WeakPolarHBondContact O-CB 3.4Å; I382-Y386 VanDerWaalsContact O-CD2 3.28Å; I382-Y386 WeakPolarHBondContact O-CD2 3.46Å; I382-Y386 PolarHBondContact O-N 3.13Å; Y386-V388 VanDerWaalsContact C-N 3.27Å; Y386-V388 PolarHBondContact O-N 3.38Å; Y386-F389 PolarHBondContact O-N 3.31Å; Y386-F390 HydrophobicContact CD1-CD2 4.12Å; Y386-F390 HydrophobicContact CD1-CE2 4.07Å; Y386-F390 WeakPolarHBondContact O-CB 3.49Å; Y386-F390 PolarHBondContact O-N 2.9Å |
| 387 | Y | 42 | Very low | 42.1 | Very low | 64 Ų | 64 | 80.7 Ų | 80.7 | 25% | 0.251 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59 | -39.3 | 172.4 | -153.8 | -87.4 | 0 | 0 | 0 | 111.9 | Y302 Y303 S383 L384 A385 A391 | Y302-Y387 WeakPolarHBondContact CB-OH 3.31Å; Y302-Y387 AromaticContact CD1-CE1 3.78Å; Y302-Y387 HydrophobicContact CD1-CE1 3.78Å; Y302-Y387 AromaticContact CD1-CE2 3.67Å; Y302-Y387 HydrophobicContact CD1-CE2 3.67Å; Y302-Y387 AromaticContact CD1-CZ 3.15Å; Y302-Y387 WeakPolarHBondContact CD1-OH 3.21Å; Y302-Y387 HydrophobicContact CD2-CE1 4.26Å; Y302-Y387 AromaticContact CE1-CD1 3.99Å; Y302-Y387 HydrophobicContact CE1-CD1 3.99Å; Y302-Y387 HydrophobicContact CE1-CD2 4.2Å; Y302-Y387 AromaticContact CE1-CE1 3.32Å; Y302-Y387 HydrophobicContact CE1-CE1 3.32Å; Y302-Y387 AromaticContact CE1-CE2 3.59Å; Y302-Y387 HydrophobicContact CE1-CE2 3.59Å; Y302-Y387 HydrophobicContact CE1-CG 4.4Å; Y302-Y387 AromaticContact CE1-CZ 3.13Å; Y302-Y387 WeakPolarHBondContact CE1-OH 3.4Å; Y302-Y387 AromaticContact CE2-CE1 3.88Å; Y302-Y387 HydrophobicContact CE2-CE1 3.88Å; Y302-Y387 HydrophobicContact CG-CE1 4.21Å; Y302-Y387 AromaticContact CG-CZ 3.72Å; Y302-Y387 AromaticContact CZ-CD1 3.98Å; Y302-Y387 AromaticContact CZ-CE1 3.37Å; Y302-Y387 AromaticContact CZ-CZ 3.7Å; Y303-Y387 HydrophobicContact CE1-CE2 4.39Å; S383-Y387 WeakPolarHBondContact O-CB 3.46Å; S383-Y387 PolarHBondContact O-N 2.88Å; L384-Y387 VanDerWaalsContact O-CB 3.24Å; L384-Y387 WeakPolarHBondContact O-CB 3.19Å; L384-Y387 PolarHBondContact O-N 3.48Å; A385-Y387 VanDerWaalsContact C-N 3.28Å; A385-Y387 PolarHBondContact O-N 3.49Å; Y387-A391 WeakPolarHBondContact O-CB 2.87Å; Y387-A391 PolarHBondContact O-N 2.8Å |
| 388 | V | 38.6 | Very low | 41.8 | Very low | 31 Ų | 31 | 83.3 Ų | 83.3 | 19% | 0.188 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -74.8 | -39.4 | 176.6 | 173.4 | 0 | 0 | 0 | 0 | 112.3 | A353 R357 L384 A385 Y386 | A353-V388 HydrophobicContact CB-CG2 4.04Å; R357-V388 HydrophobicContact CB-CG1 4.14Å; L384-V388 WeakPolarHBondContact O-CG2 3.39Å; L384-V388 PolarHBondContact O-N 2.78Å; A385-V388 CarbonylContact O-C 3.55Å; A385-V388 WeakPolarHBondContact O-CB 3.39Å; A385-V388 PolarHBondContact O-N 3.12Å; A385-V388 VanDerWaalsContact O-N 3.09Å; Y386-V388 VanDerWaalsContact C-N 3.27Å; Y386-V388 PolarHBondContact O-N 3.38Å |
| 389 | F | 33.6 | Very low | 41.4 | Very low | 89 Ų | 89 | 85.6 Ų | 85.6 | 39% | 0.39 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -72.2 | -41.3 | -179.1 | -94.2 | -73.6 | 0 | 0 | 0 | 112.5 | A364 A385 Y386 A391 M392 | A364-F389 HydrophobicContact CB-CE2 3.81Å; A364-F389 HydrophobicContact CB-CZ 3.95Å; A385-F389 WeakPolarHBondContact O-CB 3.13Å; A385-F389 WeakPolarHBondContact O-CD2 3.24Å; A385-F389 PolarHBondContact O-N 3.2Å; Y386-F389 PolarHBondContact O-N 3.31Å; F389-A391 VanDerWaalsContact C-N 3.26Å; F389-A391 PolarHBondContact O-N 3Å; F389-M392 WeakPolarHBondContact O-CB 3.32Å; F389-M392 PolarHBondContact O-N 2.7Å |
| 390 | F | 36.2 | Very low | 40.9 | Very low | 140 Ų | 140 | 86.3 Ų | 86.3 | 61% | 0.614 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -68.4 | -26.7 | 175.8 | -96.6 | -84.5 | 0 | 0 | 0 | 112.7 | Y386 M392 T393 | Y386-F390 HydrophobicContact CD1-CD2 4.12Å; Y386-F390 HydrophobicContact CD1-CE2 4.07Å; Y386-F390 WeakPolarHBondContact O-CB 3.49Å; Y386-F390 PolarHBondContact O-N 2.9Å; F390-M392 PolarHBondContact O-N 3.37Å; F390-T393 PolarHBondContact O-N 3.41Å; F390-T393 VanDerWaalsContact O-N 3.16Å; F390-T393 PolarHBondContact O-OG1 3.05Å |
| 391 | A | 40.8 | Very low | 40.3 | Very low | 50 Ų | 50 | 83.1 Ų | 83.1 | 41% | 0.413 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -6.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y387 F389 | Y387-A391 WeakPolarHBondContact O-CB 2.87Å; Y387-A391 PolarHBondContact O-N 2.8Å; F389-A391 VanDerWaalsContact C-N 3.26Å; F389-A391 PolarHBondContact O-N 3Å |
| 392 | M | 35.2 | Very low | 39.7 | Very low | 126 Ų | 126 | 87.7 Ų | 87.7 | 62% | 0.621 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -17.1 | 169.7 | -65.9 | -161.8 | 179.8 | 0 | 0 | 113.4 | F389 F390 | F389-M392 WeakPolarHBondContact O-CB 3.32Å; F389-M392 PolarHBondContact O-N 2.7Å; F390-M392 PolarHBondContact O-N 3.37Å |
| 393 | T | 32 | Very low | 39.2 | Very low | 91 Ų | 91 | 91 Ų | 91 | 56% | 0.558 | 46% | 0.458 | S | S | * | . | trans | -94 | 1.5 | -171.9 | 46.7 | 0 | 0 | 0 | 0 | 115.1 | F390 | F390-T393 PolarHBondContact O-N 3.41Å; F390-T393 VanDerWaalsContact O-N 3.16Å; F390-T393 PolarHBondContact O-OG1 3.05Å | ||
| 394 | H | 34.4 | Very low | 38.5 | Very low | 233 Ų | 233 | 92.7 Ų | 92.7 | 100% | 1.079 | 45% | 0.453 | S | S | * | . | trans | -142.6 | 0 | 169.1 | -69.3 | -58.3 | 0 | 0 | 0 | 109.2 |
Retrieved 394 of 394 residues in 99 ms
(Link to these results)