| 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 | 32.6 | Very low | 68.2 | Low | 236 Ų | 236 | 99.9 Ų | 99.9 | 100% | 1.163 | 54% | 0.543 | S | S | * | . | 0 | 60.4 | 0 | -67.7 | 178.2 | 175.1 | 0 | 0 | 108.5 | |||||
| 2 | C | 34 | Very low | 70.7 | Confident | 113 Ų | 113 | 91.6 Ų | 91.6 | 76% | 0.764 | 50% | 0.497 | S | S | * | . | trans | -109.6 | 100.4 | 136.8 | -63.4 | 0 | 0 | 0 | 0 | 99.1 | D4 | C2-D4 PolarHBondContact O-N 3.24Š| ||
| 3 | D | 44.8 | Very low | 72.9 | Confident | 141 Ų | 141 | 84.8 Ų | 84.8 | 75% | 0.754 | 46% | 0.46 | S | S | * | . | trans | -60.9 | 108.1 | 158.9 | -70.7 | -28.5 | 0 | 0 | 0 | 101.7 | D5 | D3-D5 PolarHBondContact O-N 2.87Š| ||
| 4 | D | 48 | Very low | 74.5 | Confident | 145 Ų | 145 | 79.4 Ų | 79.4 | 78% | 0.775 | 43% | 0.431 | S | S | * | . | trans | -53.1 | 103.9 | 164.5 | -72.5 | -39.6 | 0 | 0 | 0 | 103 | C2 E6 | C2-D4 PolarHBondContact O-N 3.24Å; D4-E6 PolarHBondContact O-N 3.19Å | ||
| 5 | D | 52.2 | Low | 76 | Confident | 149 Ų | 149 | 74.9 Ų | 74.9 | 80% | 0.797 | 41% | 0.41 | S | S | * | . | trans | -55.1 | 96.4 | 178.8 | -81.9 | -40.1 | 0 | 0 | 0 | 105.2 | D3 T7 | D3-D5 PolarHBondContact O-N 2.87Å; D5-T7 VanDerWaalsContact C-N 3.34Å; D5-T7 PolarHBondContact O-N 3.34Å | ||
| 6 | E | 66 | Low | 77.2 | Confident | 160 Ų | 160 | 70.6 Ų | 70.6 | 75% | 0.748 | 39% | 0.388 | S | S | * | . | trans | -59.1 | 103.4 | -176.1 | -96.9 | -173.3 | 160.7 | 0 | 0 | 106 | D4 T8 | D4-E6 PolarHBondContact O-N 3.19Å; E6-T8 PolarHBondContact O-N 3.26Å | ||
| 7 | T | 83.9 | Confident | 78.3 | Confident | 79 Ų | 79 | 67.4 Ų | 67.4 | 49% | 0.485 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 118.2 | -175.7 | 29.2 | 0 | 0 | 0 | 0 | 108.1 | D5 A9 E102 | D5-T7 VanDerWaalsContact C-N 3.34Å; D5-T7 PolarHBondContact O-N 3.34Å; T7-A9 PolarHBondContact O-N 2.94Å; T7-E102 VanDerWaalsContact CB-O 3.23Å; T7-E102 WeakPolarHBondContact CB-O 3.39Å; T7-E102 WeakPolarHBondContact CG2-O 3.49Å |
| 8 | T | 94.3 | Very high | 79.4 | Confident | 68 Ų | 68 | 67.9 Ų | 67.9 | 42% | 0.417 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 126.2 | -173.7 | -50.4 | 0 | 0 | 0 | 0 | 109.8 | E6 F23 A24 H103 | E6-T8 PolarHBondContact O-N 3.26Å; T8-F23 HydrophobicContact CG2-CB 3.93Å; T8-F23 HydrophobicContact CG2-CD1 4.1Å; T8-A24 WeakPolarHBondContact CG2-O 3.33Å; T8-H103 PolarHBondContact O-ND1 3.22Å |
| 9 | A | 97.7 | Very high | 80.4 | Confident | 8 Ų | 8 | 64.3 Ų | 64.3 | 7% | 0.066 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 149.4 | -180 | 0 | 0 | 0 | 0 | 0 | 111.9 | T7 A24 P104 A349 W358 | T7-A9 PolarHBondContact O-N 2.94Å; A9-A24 HydrophobicContact CB-CB 4.1Å; A9-A24 WeakPolarHBondContact O-CB 3.1Å; A9-A24 PolarHBondContact O-N 3.08Å; A9-P104 CarbonylContact C-O 3.37Å; A9-P104 WeakPolarHBondContact CA-O 3.49Å; A9-P104 HydrophobicContact CB-CB 4.08Å; A9-A349 HydrophobicContact CB-CB 4.17Å; A9-W358 HydrophobicContact CB-CH2 3.92Å; A9-W358 HydrophobicContact CB-CZ2 3.66Å |
| 10 | L | 98.4 | Very high | 81.3 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 145.6 | 170.5 | -58.5 | 178.8 | 0 | 0 | 0 | 110.2 | G22 F23 F92 L96 V98 H103 P104 T105 L106 | L10-G22 WeakPolarHBondContact CA-O 3.44Å; L10-F23 HydrophobicContact CD2-CD1 3.67Å; L10-F23 HydrophobicContact CD2-CD2 4.37Å; L10-F23 HydrophobicContact CD2-CE1 3.66Å; L10-F23 HydrophobicContact CD2-CE2 4.35Å; L10-F23 HydrophobicContact CD2-CG 4.07Å; L10-F23 HydrophobicContact CD2-CZ 4.04Å; L10-F92 HydrophobicContact CD1-CD1 3.79Å; L10-F92 HydrophobicContact CD1-CE1 3.82Å; L10-L96 HydrophobicContact CD1-CD1 4.17Å; L10-L96 HydrophobicContact CD2-CD1 4.02Å; L10-V98 HydrophobicContact CD1-CG2 3.83Å; L10-H103 HydrophobicContact CD1-CB 3.88Å; L10-H103 HydrophobicContact CG-CB 3.74Å; L10-P104 PolarHBondContact N-O 3.11Å; L10-T105 HydrophobicContact CB-CG2 4.46Å; L10-L106 PolarHBondContact O-N 3.28Å |
| 11 | V | 98.7 | Very high | 82.1 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 119.6 | 173.6 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | A21 G22 A24 L106 W342 A349 | V11-A21 VanDerWaalsContact O-CA 3.26Å; V11-A21 WeakPolarHBondContact O-CA 3.48Å; V11-G22 PolarHBondContact N-O 3.03Å; V11-G22 PolarHBondContact O-N 3.32Å; V11-A24 HydrophobicContact CG2-CB 4.36Å; V11-L106 WeakPolarHBondContact CA-O 3.48Å; V11-L106 HydrophobicContact CG1-CD2 4.15Å; V11-L106 HydrophobicContact CG2-CB 4.45Å; V11-W342 HydrophobicContact CG1-CG 4.25Å; V11-W342 PolarHBondContact O-NE1 2.93Å; V11-A349 HydrophobicContact CG2-CB 4.25Å |
| 12 | C | 98.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 100.1 | 179.2 | -65.5 | 0 | 0 | 0 | 0 | 110.7 | N14 L106 T108 | C12-N14 PolarHBondContact O-N 2.97Å; C12-L106 PolarHBondContact N-O 2.79Å; C12-T108 PolarHBondContact O-N 3Å; C12-T108 VanDerWaalsContact O-N 3.13Å; C12-T108 PolarHBondContact O-OG1 2.98Å |
| 13 | D | 98.5 | Very high | 88.3 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 108.3 | 170.8 | 174.7 | 25.6 | 0 | 0 | 0 | 110.5 | G15 V19 K20 T108 Q139 V341 W342 | D13-G15 PolarHBondContact O-N 3.43Å; D13-V19 WeakPolarHBondContact O-CA 3.46Å; D13-K20 HydrophobicContact CB-CB 4.13Å; D13-K20 PolarHBondContact N-O 3.26Å; D13-K20 PolarHBondContact O-N 2.98Å; D13-K20 WeakPolarHBondContact OD2-CD 3.33Å; D13-K20 IonicContact OD2-NZ 2.72Å; D13-K20 PolarHBondContact OD2-NZ 3.17Å; D13-T108 VanDerWaalsContact CA-OG1 3.25Å; D13-T108 WeakPolarHBondContact CA-OG1 3.48Å; D13-T108 HydrophobicContact CB-CG2 4.28Å; D13-T108 PolarHBondContact OD1-OG1 3.43Å; D13-Q139 PolarHBondContact OD1-NE2 2.8Å; D13-V341 HydrophobicContact CB-CG1 4.09Å; D13-V341 WeakPolarHBondContact OD1-CG1 3.48Å; D13-W342 HydrophobicContact CB-CB 4.23Å |
| 14 | N | 96 | Very high | 90.8 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 5% | 0.048 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 78.5 | -174 | -60.6 | -52.3 | 0 | 0 | 0 | 110.1 | C12 I73 M84 W88 T108 | C12-N14 PolarHBondContact O-N 2.97Å; N14-I73 HydrophobicContact CB-CD1 4.23Å; N14-M84 HydrophobicContact CB-CE 4.31Å; N14-M84 WeakPolarHBondContact OD1-CE 3.41Å; N14-W88 PolarHBondContact OD1-NE1 3.36Å; N14-T108 PolarHBondContact N-OG1 3.45Å; N14-T108 PolarHBondContact ND2-O 3.13Å |
| 15 | G | 96.2 | Very high | 93 | Very high | 12 Ų | 12 | 33 Ų | 33 | 12% | 0.124 | 20% | 0.196 | C | C | . | . | trans | -84.4 | 151.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D13 G17 L18 S35 | D13-G15 PolarHBondContact O-N 3.43Å; G15-G17 PolarHBondContact O-N 2.98Å; G15-L18 WeakPolarHBondContact CA-O 3.32Å; G15-L18 PolarHBondContact N-O 3.21Å; G15-L18 VanDerWaalsContact N-O 3.14Å; G15-S35 VanDerWaalsContact O-CB 3.31Å; G15-S35 WeakPolarHBondContact O-CB 3.33Å; G15-S35 PolarHBondContact O-OG 3.48Å | ||
| 16 | S | 96.1 | Very high | 95.1 | Very high | 7 Ų | 7 | 28.3 Ų | 28.3 | 5% | 0.049 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -64.4 | -25.5 | 177.4 | -52.1 | 0 | 0 | 0 | 0 | 114.7 | I73 G76 R185 | S16-I73 WeakPolarHBondContact OG-CG2 3.5Å; S16-G76 WeakPolarHBondContact OG-CA 3.24Å; S16-G76 PolarHBondContact OG-N 3.21Å; S16-R185 PolarHBondContact O-NH2 3.14Å; S16-R185 VanDerWaalsContact O-NH2 3.1Å |
| 17 | G | 95.9 | Very high | 96.5 | Very high | 16 Ų | 16 | 28.1 Ų | 28.1 | 17% | 0.165 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -103.2 | -38.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G15 P34 S35 | G15-G17 PolarHBondContact O-N 2.98Å; G17-P34 WeakPolarHBondContact O-CA 3.3Å; G17-S35 PolarHBondContact O-N 3.25Å |
| 18 | L | 97.5 | Very high | 97 | Very high | 76 Ų | 76 | 26.9 Ų | 26.9 | 40% | 0.398 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 137.4 | -174.8 | -62.9 | 170.5 | 0 | 0 | 0 | 110.7 | G15 V32 F33 P34 S35 | G15-L18 WeakPolarHBondContact CA-O 3.32Å; G15-L18 PolarHBondContact N-O 3.21Å; G15-L18 VanDerWaalsContact N-O 3.14Å; L18-V32 HydrophobicContact CB-CG1 4.41Å; L18-V32 HydrophobicContact CD1-CG1 4.12Å; L18-V32 HydrophobicContact CD2-CG1 4.49Å; L18-F33 CarbonylContact C-O 3.58Å; L18-F33 VanDerWaalsContact CA-O 3.31Å; L18-F33 WeakPolarHBondContact CA-O 3.23Å; L18-P34 HydrophobicContact CD2-CG 4.45Å; L18-S35 WeakPolarHBondContact CA-OG 3.33Å; L18-S35 PolarHBondContact N-OG 2.91Å |
| 19 | V | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 140.9 | 161.4 | 177.4 | 0 | 0 | 0 | 0 | 108.3 | D13 V32 F33 S35 I87 | D13-V19 WeakPolarHBondContact O-CA 3.46Å; V19-V32 WeakPolarHBondContact O-CA 3.38Å; V19-F33 HydrophobicContact CB-CD1 4.34Å; V19-F33 HydrophobicContact CB-CD2 4.48Å; V19-F33 HydrophobicContact CB-CE1 3.77Å; V19-F33 HydrophobicContact CB-CE2 3.93Å; V19-F33 HydrophobicContact CB-CZ 3.54Å; V19-F33 HydrophobicContact CG1-CE1 3.75Å; V19-F33 HydrophobicContact CG1-CZ 3.69Å; V19-F33 HydrophobicContact CG2-CE2 4.06Å; V19-F33 HydrophobicContact CG2-CZ 3.96Å; V19-F33 PolarHBondContact N-O 2.93Å; V19-F33 PolarHBondContact O-N 3.3Å; V19-F33 VanDerWaalsContact O-N 3.1Å; V19-S35 WeakPolarHBondContact CG2-OG 3.38Å; V19-S35 PolarHBondContact N-OG 3.17Å; V19-S35 VanDerWaalsContact N-OG 3.13Å; V19-I87 HydrophobicContact CG2-CG2 3.65Å |
| 20 | K | 98.6 | Very high | 97.2 | Very high | 23 Ų | 23 | 31.4 Ų | 31.4 | 10% | 0.1 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 127.3 | 169.6 | -47.1 | 166.2 | -165.4 | 71.7 | 0 | 108.3 | D13 P29 A31 V32 K338 Y339 W342 | D13-K20 HydrophobicContact CB-CB 4.13Å; D13-K20 PolarHBondContact N-O 3.26Å; D13-K20 PolarHBondContact O-N 2.98Å; D13-K20 WeakPolarHBondContact OD2-CD 3.33Å; D13-K20 IonicContact OD2-NZ 2.72Å; D13-K20 PolarHBondContact OD2-NZ 3.17Å; K20-P29 HydrophobicContact CB-CB 3.98Å; K20-P29 HydrophobicContact CB-CG 4.25Å; K20-A31 CarbonylContact C-O 3.57Å; K20-A31 VanDerWaalsContact CA-O 3.32Å; K20-A31 WeakPolarHBondContact CA-O 3.41Å; K20-V32 HydrophobicContact CB-CG2 4.3Å; K20-V32 HydrophobicContact CG-CG1 4.17Å; K20-V32 HydrophobicContact CG-CG2 4.1Å; K20-K338 WeakPolarHBondContact CE-O 3.24Å; K20-Y339 HydrophobicContact CD-CD1 3.81Å; K20-Y339 HydrophobicContact CD-CE1 4.41Å; K20-W342 HydrophobicContact CB-CB 4.31Å; K20-W342 HydrophobicContact CB-CG 4.32Å; K20-W342 HydrophobicContact CD-CB 4.44Å |
| 21 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 150.5 | -175 | 0 | 0 | 0 | 0 | 0 | 111.8 | V11 P29 R30 A31 T91 L96 | V11-A21 VanDerWaalsContact O-CA 3.26Å; V11-A21 WeakPolarHBondContact O-CA 3.48Å; A21-P29 CarbonylContact O-C 3.59Å; A21-R30 PolarHBondContact O-N 3.35Å; A21-A31 PolarHBondContact N-O 3.03Å; A21-A31 PolarHBondContact O-N 2.93Å; A21-T91 HydrophobicContact CB-CG2 3.33Å; A21-L96 HydrophobicContact CB-CD1 4.05Å; A21-L96 HydrophobicContact CB-CD2 4.31Å; A21-L96 HydrophobicContact CB-CG 4.32Å |
| 22 | G | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.2 | -170.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L10 V11 | L10-G22 WeakPolarHBondContact CA-O 3.44Å; V11-G22 PolarHBondContact N-O 3.03Å; V11-G22 PolarHBondContact O-N 3.32Å |
| 23 | F | 98.1 | Very high | 97.2 | Very high | 20 Ų | 20 | 34 Ų | 34 | 9% | 0.088 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 143 | -176.9 | -64.6 | -103 | 0 | 0 | 0 | 110.1 | T8 L10 D26 R30 L96 V98 H103 | T8-F23 HydrophobicContact CG2-CB 3.93Å; T8-F23 HydrophobicContact CG2-CD1 4.1Å; L10-F23 HydrophobicContact CD2-CD1 3.67Å; L10-F23 HydrophobicContact CD2-CD2 4.37Å; L10-F23 HydrophobicContact CD2-CE1 3.66Å; L10-F23 HydrophobicContact CD2-CE2 4.35Å; L10-F23 HydrophobicContact CD2-CG 4.07Å; L10-F23 HydrophobicContact CD2-CZ 4.04Å; F23-D26 WeakPolarHBondContact O-CB 3.39Å; F23-D26 PolarHBondContact O-N 3.1Å; F23-R30 HydrophobicContact CD2-CG 4.28Å; F23-R30 VanDerWaalsContact CE2-CZ 3.44Å; F23-L96 HydrophobicContact CE2-CD2 4.42Å; F23-V98 HydrophobicContact CE1-CG1 4.18Å; F23-V98 HydrophobicContact CZ-CG1 3.61Å; F23-H103 AromaticContact CE1-CE1 3.94Å |
| 24 | A | 97.1 | Very high | 97.2 | Very high | 12 Ų | 12 | 34.8 Ų | 34.8 | 10% | 0.099 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 138.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | T8 A9 V11 D26 A349 | T8-A24 WeakPolarHBondContact CG2-O 3.33Å; A9-A24 HydrophobicContact CB-CB 4.1Å; A9-A24 WeakPolarHBondContact O-CB 3.1Å; A9-A24 PolarHBondContact O-N 3.08Å; V11-A24 HydrophobicContact CG2-CB 4.36Å; A24-D26 VanDerWaalsContact C-N 3.34Å; A24-A349 HydrophobicContact CB-CB 3.65Å |
| 25 | G | 94.7 | Very high | 97.2 | Very high | 51 Ų | 51 | 34.4 Ų | 34.4 | 53% | 0.526 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -15.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S346 | G25-S346 PolarHBondContact N-OG 3.43Š|
| 26 | D | 96.2 | Very high | 97.3 | Very high | 50 Ų | 50 | 34 Ų | 34 | 27% | 0.267 | 20% | 0.198 | S | C | . | . | trans | -73 | 146.3 | 170.4 | -73.3 | -11.1 | 0 | 0 | 0 | 110.1 | F23 A24 A28 R30 W342 S346 | F23-D26 WeakPolarHBondContact O-CB 3.39Å; F23-D26 PolarHBondContact O-N 3.1Å; A24-D26 VanDerWaalsContact C-N 3.34Å; D26-A28 VanDerWaalsContact C-N 3.32Å; D26-A28 PolarHBondContact O-N 2.94Å; D26-R30 IonicContact OD1-NH2 2.73Å; D26-R30 PolarHBondContact OD1-NH2 3.07Å; D26-R30 IonicContact OD2-CZ 2.71Å; D26-R30 IonicContact OD2-NE 3.98Å; D26-R30 PolarHBondContact OD2-NE 3.28Å; D26-R30 IonicContact OD2-NH2 2.8Å; D26-R30 PolarHBondContact OD2-NH2 2.77Å; D26-W342 HydrophobicContact CB-CH2 3.83Å; D26-W342 WeakPolarHBondContact O-CH2 3.3Å; D26-W342 VanDerWaalsContact O-CZ3 3.32Å; D26-W342 WeakPolarHBondContact O-CZ3 3.15Å; D26-S346 PolarHBondContact N-OG 2.83Å; D26-S346 PolarHBondContact O-OG 2.93Å | ||
| 27 | D | 93.7 | Very high | 97.4 | Very high | 156 Ų | 156 | 33.6 Ų | 33.6 | 83% | 0.834 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -75.2 | -17.9 | -179.3 | -68.2 | -41.1 | 0 | 0 | 0 | 113.7 | ||
| 28 | A | 96.1 | Very high | 97.4 | Very high | 53 Ų | 53 | 32.9 Ų | 32.9 | 44% | 0.438 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -150.4 | 153.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111 | D26 R30 W342 | D26-A28 VanDerWaalsContact C-N 3.32Å; D26-A28 PolarHBondContact O-N 2.94Å; A28-R30 PolarHBondContact O-N 2.89Å; A28-W342 VanDerWaalsContact CA-CZ3 3.49Å; A28-W342 VanDerWaalsContact O-CH2 3.23Å; A28-W342 WeakPolarHBondContact O-CH2 3.28Å; A28-W342 WeakPolarHBondContact O-CZ3 3.36Å |
| 29 | P | 98 | Very high | 97.3 | Very high | 19 Ų | 19 | 33 Ų | 33 | 12% | 0.123 | 18% | 0.182 | C | C | . | . | trans | -61.1 | 139 | 176.3 | 25.8 | -34.1 | 0 | 0 | 0 | 110.7 | K20 A21 A31 V32 Y339 W342 | K20-P29 HydrophobicContact CB-CB 3.98Å; K20-P29 HydrophobicContact CB-CG 4.25Å; A21-P29 CarbonylContact O-C 3.59Å; P29-A31 VanDerWaalsContact C-N 3.32Å; P29-V32 HydrophobicContact CB-CG2 4.09Å; P29-V32 HydrophobicContact CG-CG2 3.63Å; P29-Y339 HydrophobicContact CG-CD1 4.23Å; P29-Y339 HydrophobicContact CG-CE1 4.5Å; P29-Y339 HydrophobicContact CG-CG 4.43Å; P29-W342 HydrophobicContact CB-CD2 3.73Å; P29-W342 HydrophobicContact CB-CE3 4.21Å; P29-W342 HydrophobicContact CB-CG 3.96Å; P29-W342 HydrophobicContact CB-CZ2 4.45Å; P29-W342 HydrophobicContact CG-CD2 4.29Å; P29-W342 HydrophobicContact CG-CE3 4.41Å; P29-W342 HydrophobicContact CG-CG 4.48Å | ||
| 30 | R | 97.8 | Very high | 97 | Very high | 153 Ų | 153 | 35.1 Ų | 35.1 | 58% | 0.577 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -72.7 | -28.4 | 174.6 | -66.1 | -159.2 | -176.5 | 173.1 | 5.1 | 112.6 | A21 F23 D26 A28 L96 | A21-R30 PolarHBondContact O-N 3.35Å; F23-R30 HydrophobicContact CD2-CG 4.28Å; F23-R30 VanDerWaalsContact CE2-CZ 3.44Å; D26-R30 IonicContact OD1-NH2 2.73Å; D26-R30 PolarHBondContact OD1-NH2 3.07Å; D26-R30 IonicContact OD2-CZ 2.71Å; D26-R30 IonicContact OD2-NE 3.98Å; D26-R30 PolarHBondContact OD2-NE 3.28Å; D26-R30 IonicContact OD2-NH2 2.8Å; D26-R30 PolarHBondContact OD2-NH2 2.77Å; A28-R30 PolarHBondContact O-N 2.89Å; R30-L96 HydrophobicContact CB-CD2 3.97Å |
| 31 | A | 98.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 137.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111 | K20 A21 P29 F33 E95 L96 | K20-A31 CarbonylContact C-O 3.57Å; K20-A31 VanDerWaalsContact CA-O 3.32Å; K20-A31 WeakPolarHBondContact CA-O 3.41Å; A21-A31 PolarHBondContact N-O 3.03Å; A21-A31 PolarHBondContact O-N 2.93Å; P29-A31 VanDerWaalsContact C-N 3.32Å; A31-F33 HydrophobicContact CB-CD1 4.44Å; A31-E95 HydrophobicContact CB-CB 3.66Å; A31-E95 HydrophobicContact CB-CG 4.25Å; A31-L96 HydrophobicContact CB-CD2 4.48Å |
| 32 | V | 98.3 | Very high | 95.7 | Very high | 48 Ų | 48 | 46 Ų | 46 | 29% | 0.291 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 112.8 | 172.2 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | L18 V19 K20 P29 Y339 | L18-V32 HydrophobicContact CB-CG1 4.41Å; L18-V32 HydrophobicContact CD1-CG1 4.12Å; L18-V32 HydrophobicContact CD2-CG1 4.49Å; V19-V32 WeakPolarHBondContact O-CA 3.38Å; K20-V32 HydrophobicContact CB-CG2 4.3Å; K20-V32 HydrophobicContact CG-CG1 4.17Å; K20-V32 HydrophobicContact CG-CG2 4.1Å; P29-V32 HydrophobicContact CB-CG2 4.09Å; P29-V32 HydrophobicContact CG-CG2 3.63Å; V32-Y339 HydrophobicContact CG2-CE1 4.14Å |
| 33 | F | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 157.1 | -174.3 | 65.5 | -89.2 | 0 | 0 | 0 | 112 | L18 V19 A31 V56 I87 H90 T91 E95 | L18-F33 CarbonylContact C-O 3.58Å; L18-F33 VanDerWaalsContact CA-O 3.31Å; L18-F33 WeakPolarHBondContact CA-O 3.23Å; V19-F33 HydrophobicContact CB-CD1 4.34Å; V19-F33 HydrophobicContact CB-CD2 4.48Å; V19-F33 HydrophobicContact CB-CE1 3.77Å; V19-F33 HydrophobicContact CB-CE2 3.93Å; V19-F33 HydrophobicContact CB-CZ 3.54Å; V19-F33 HydrophobicContact CG1-CE1 3.75Å; V19-F33 HydrophobicContact CG1-CZ 3.69Å; V19-F33 HydrophobicContact CG2-CE2 4.06Å; V19-F33 HydrophobicContact CG2-CZ 3.96Å; V19-F33 PolarHBondContact N-O 2.93Å; V19-F33 PolarHBondContact O-N 3.3Å; V19-F33 VanDerWaalsContact O-N 3.1Å; A31-F33 HydrophobicContact CB-CD1 4.44Å; F33-V56 HydrophobicContact CE2-CG1 4.34Å; F33-I87 HydrophobicContact CE2-CG2 4.14Å; F33-I87 HydrophobicContact CZ-CG2 4.23Å; F33-H90 AromaticContact CD2-CD2 3.98Å; F33-H90 AromaticContact CE2-CD2 3.71Å; F33-H90 AromaticContact CZ-CD2 3.97Å; F33-T91 WeakPolarHBondContact CZ-OG1 3.31Å; F33-E95 HydrophobicContact CD1-CG 3.77Å; F33-E95 HydrophobicContact CE1-CG 3.81Å; F33-E95 HydrophobicContact CG-CG 4.49Å |
| 34 | P | 97.8 | Very high | 93 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 13% | 0.13 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 133.8 | 178.8 | -27.3 | 36.3 | 0 | 0 | 0 | 114.3 | G17 L18 I36 G57 D58 Q61 | G17-P34 WeakPolarHBondContact O-CA 3.3Å; L18-P34 HydrophobicContact CD2-CG 4.45Å; P34-I36 HydrophobicContact CB-CD1 3.84Å; P34-I36 HydrophobicContact CB-CG1 3.89Å; P34-I36 HydrophobicContact CB-CG2 4.28Å; P34-I36 PolarHBondContact O-N 2.94Å; P34-G57 WeakPolarHBondContact O-CA 3.33Å; P34-D58 WeakPolarHBondContact CD-OD1 3.19Å; P34-Q61 HydrophobicContact CG-CB 4.48Å |
| 35 | S | 97.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.007 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -77.3 | 60.5 | 176.7 | -55 | 0 | 0 | 0 | 0 | 111.8 | G15 G17 L18 V19 P72 | G15-S35 VanDerWaalsContact O-CB 3.31Å; G15-S35 WeakPolarHBondContact O-CB 3.33Å; G15-S35 PolarHBondContact O-OG 3.48Å; G17-S35 PolarHBondContact O-N 3.25Å; L18-S35 WeakPolarHBondContact CA-OG 3.33Å; L18-S35 PolarHBondContact N-OG 2.91Å; V19-S35 WeakPolarHBondContact CG2-OG 3.38Å; V19-S35 PolarHBondContact N-OG 3.17Å; V19-S35 VanDerWaalsContact N-OG 3.13Å; S35-P72 WeakPolarHBondContact O-CD 3.38Å |
| 36 | I | 97.4 | Very high | 89.9 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | trans | -133.9 | 148.6 | -172.2 | 69.3 | -176.8 | 0 | 0 | 0 | 112.6 | P34 V56 G57 A60 Q61 L69 K70 Y71 | P34-I36 HydrophobicContact CB-CD1 3.84Å; P34-I36 HydrophobicContact CB-CG1 3.89Å; P34-I36 HydrophobicContact CB-CG2 4.28Å; P34-I36 PolarHBondContact O-N 2.94Å; I36-V56 WeakPolarHBondContact O-CA 3.45Å; I36-G57 PolarHBondContact O-N 3.12Å; I36-G57 VanDerWaalsContact O-N 3.14Å; I36-A60 HydrophobicContact CD1-CB 4.05Å; I36-A60 HydrophobicContact CG1-CB 3.96Å; I36-Q61 HydrophobicContact CD1-CB 3.95Å; I36-Q61 VanDerWaalsContact CD1-OE1 3.29Å; I36-L69 HydrophobicContact CD1-CD1 4.24Å; I36-K70 WeakPolarHBondContact CA-O 3.38Å; I36-Y71 HydrophobicContact CG2-CD1 3.46Å; I36-Y71 VanDerWaalsContact CG2-CD1 3.46Å; I36-Y71 HydrophobicContact CG2-CE1 3.27Å; I36-Y71 HydrophobicContact CG2-CG 4.29Å | ||
| 37 | V | 98.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 125.2 | 170.1 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | Y55 V56 K70 D83 K86 I87 | V37-Y55 CarbonylContact C-O 3.59Å; V37-Y55 WeakPolarHBondContact CA-O 3.46Å; V37-V56 HydrophobicContact CG2-CG2 4.4Å; V37-K70 PolarHBondContact N-O 2.8Å; V37-K70 PolarHBondContact O-N 3.16Å; V37-D83 HydrophobicContact CB-CB 4.29Å; V37-D83 HydrophobicContact CG2-CB 3.81Å; V37-K86 HydrophobicContact CG1-CD 4.19Å; V37-I87 HydrophobicContact CG2-CD1 4.3Å; V37-I87 HydrophobicContact CG2-CG1 3.95Å |
| 38 | G | 96.5 | Very high | 87 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 136 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S54 Y55 T68 | G38-S54 CarbonylContact O-C 3.51Å; G38-S54 VanDerWaalsContact O-CA 3.3Å; G38-S54 WeakPolarHBondContact O-CA 3.32Å; G38-Y55 PolarHBondContact N-O 3.14Å; G38-Y55 PolarHBondContact O-N 3.23Å; G38-T68 WeakPolarHBondContact CA-O 3.34Å |
| 39 | R | 94.8 | Very high | 85.4 | Confident | 78 Ų | 78 | 60 Ų | 60 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 141.5 | 173.8 | -67.6 | 179 | 174.4 | 82.6 | -9.5 | 111.1 | R41 L67 T68 D83 | R39-R41 PolarHBondContact O-N 3.09Å; R39-L67 CarbonylContact O-C 3.55Å; R39-L67 VanDerWaalsContact O-CA 3.32Å; R39-L67 WeakPolarHBondContact O-CA 3.38Å; R39-T68 PolarHBondContact N-O 3.36Å; R39-T68 PolarHBondContact O-N 3.38Å; R39-D83 IonicContact CZ-OD1 3.63Å; R39-D83 VanDerWaalsContact CZ-OD1 3.23Å; R39-D83 IonicContact CZ-OD2 3.24Å; R39-D83 IonicContact NH1-OD1 2.74Å; R39-D83 PolarHBondContact NH1-OD1 2.72Å; R39-D83 IonicContact NH1-OD2 2.85Å; R39-D83 PolarHBondContact NH1-OD2 3.48Å; R39-D83 IonicContact NH2-OD1 3.49Å; R39-D83 PolarHBondContact NH2-OD1 2.75Å; R39-D83 IonicContact NH2-OD2 2.88Å |
| 40 | P | 92.1 | Very high | 83.9 | Confident | 45 Ų | 45 | 61.4 Ų | 61.4 | 29% | 0.292 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 134.2 | -179.5 | -24.8 | 35.3 | 0 | 0 | 0 | 112.6 | M46 Y55 L67 | P40-M46 HydrophobicContact CB-CG 4.5Å; P40-M46 HydrophobicContact CB-SD 4.18Å; P40-M46 HydrophobicContact CG-CG 4.39Å; P40-M46 HydrophobicContact CG-SD 3.54Å; P40-M46 VanDerWaalsContact CG-SD 3.54Å; P40-Y55 HydrophobicContact CG-CE2 4.19Å; P40-L67 HydrophobicContact CB-CD2 4.35Å; P40-L67 HydrophobicContact CG-CD2 4.12Å |
| 41 | R | 88.3 | Confident | 82.6 | Confident | 121 Ų | 121 | 60.9 Ų | 60.9 | 46% | 0.457 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -70.9 | -33.1 | 179 | -73 | -179.6 | -171.9 | -173.8 | 7.7 | 113.4 | R39 I66 L67 T68 | R39-R41 PolarHBondContact O-N 3.09Å; R41-I66 PolarHBondContact N-O 3.02Å; R41-I66 VanDerWaalsContact N-O 3.08Å; R41-L67 PolarHBondContact NE-O 3.46Å; R41-L67 PolarHBondContact NH2-O 3.4Å; R41-L67 VanDerWaalsContact NH2-O 3.08Å; R41-T68 WeakPolarHBondContact CG-OG1 3.35Å |
| 42 | H | 81.6 | Confident | 82 | Confident | 132 Ų | 132 | 65.3 Ų | 65.3 | 61% | 0.611 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -137 | 140.4 | -179.4 | -49.4 | -67.2 | 0 | 0 | 0 | 110 | G44 V45 | H42-G44 PolarHBondContact O-N 3.45Å; H42-V45 HydrophobicContact CB-CG2 3.7Å |
| 43 | Q | 70.8 | Confident | 81.5 | Confident | 202 Ų | 202 | 70.1 Ų | 70.1 | 94% | 0.944 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 133.4 | 171.3 | -71.2 | -179.9 | -15.5 | 0 | 0 | 109.3 | ||
| 44 | G | 68.4 | Low | 81.3 | Confident | 42 Ų | 42 | 71.5 Ų | 71.5 | 43% | 0.433 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96 | -13.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | H42 M46 V47 | H42-G44 PolarHBondContact O-N 3.45Å; G44-M46 PolarHBondContact O-N 3Å; G44-V47 VanDerWaalsContact O-CG2 3.27Å; G44-V47 WeakPolarHBondContact O-CG2 3.18Å; G44-V47 PolarHBondContact O-N 3.33Å |
| 45 | V | 63.8 | Low | 81.2 | Confident | 65 Ų | 65 | 70.7 Ų | 70.7 | 39% | 0.394 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.8 | 176.5 | -176.6 | 0 | 0 | 0 | 0 | 112.1 | H42 I66 | H42-V45 HydrophobicContact CB-CG2 3.7Å; V45-I66 HydrophobicContact CG1-CB 3.96Å; V45-I66 HydrophobicContact CG1-CD1 4.26Å; V45-I66 HydrophobicContact CG1-CG2 3.84Å |
| 46 | M | 64 | Low | 81.2 | Confident | 6 Ų | 6 | 71.2 Ų | 71.2 | 3% | 0.03 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 15 | -176.8 | -49.7 | -155.3 | 78.2 | 0 | 0 | 114 | P40 G44 G48 M49 Q51 Y55 K63 I66 | P40-M46 HydrophobicContact CB-CG 4.5Å; P40-M46 HydrophobicContact CB-SD 4.18Å; P40-M46 HydrophobicContact CG-CG 4.39Å; P40-M46 HydrophobicContact CG-SD 3.54Å; P40-M46 VanDerWaalsContact CG-SD 3.54Å; G44-M46 PolarHBondContact O-N 3Å; M46-G48 PolarHBondContact O-N 2.78Å; M46-G48 VanDerWaalsContact O-N 3.08Å; M46-M49 PolarHBondContact O-N 2.78Å; M46-Q51 HydrophobicContact CB-CG 4.16Å; M46-Y55 HydrophobicContact CE-CE1 4.02Å; M46-Y55 HydrophobicContact CE-CE2 3.59Å; M46-Y55 WeakPolarHBondContact CE-OH 3.48Å; M46-Y55 HydrophobicContact SD-CE2 3.39Å; M46-Y55 WeakPolarHBondContact SD-CE2 3.44Å; M46-Y55 VanDerWaalsContact SD-CZ 3.55Å; M46-Y55 PolarHBondContact SD-OH 2.89Å; M46-K63 HydrophobicContact CE-CD 4.09Å; M46-I66 HydrophobicContact CE-CD1 4.46Å |
| 47 | V | 62 | Low | 81.2 | Confident | 116 Ų | 116 | 71 Ų | 71 | 70% | 0.703 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 117.6 | 174.4 | 172.9 | 0 | 0 | 0 | 0 | 108.9 | G44 | G44-V47 VanDerWaalsContact O-CG2 3.27Å; G44-V47 WeakPolarHBondContact O-CG2 3.18Å; G44-V47 PolarHBondContact O-N 3.33Å |
| 48 | G | 65.8 | Low | 81.2 | Confident | 83 Ų | 83 | 75.2 Ų | 75.2 | 86% | 0.856 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94 | -11 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | M46 | M46-G48 PolarHBondContact O-N 2.78Å; M46-G48 VanDerWaalsContact O-N 3.08Å |
| 49 | M | 63.9 | Low | 81.1 | Confident | 122 Ų | 122 | 77.9 Ų | 77.9 | 60% | 0.601 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -101.8 | 8.1 | -176.3 | -61.2 | -170 | 89.1 | 0 | 0 | 114.8 | M46 | M46-M49 PolarHBondContact O-N 2.78Š|
| 50 | G | 65.3 | Low | 81.1 | Confident | 48 Ų | 48 | 74.1 Ų | 74.1 | 50% | 0.495 | 42% | 0.415 | S | S | . | . | trans | 74.4 | 98.7 | -169.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | K52 Y55 | G50-K52 PolarHBondContact O-N 3.39Å; G50-Y55 PolarHBondContact O-OH 3.11Å | ||
| 51 | Q | 72 | Confident | 81.2 | Confident | 141 Ų | 141 | 74.2 Ų | 74.2 | 66% | 0.659 | 41% | 0.411 | S | S | * | . | trans | -70 | 99.1 | 179.9 | -71.9 | -174.7 | -16.6 | 0 | 0 | 109.6 | M46 | M46-Q51 HydrophobicContact CB-CG 4.16Š| ||
| 52 | K | 84.4 | Confident | 81.4 | Confident | 98 Ų | 98 | 72.9 Ų | 72.9 | 43% | 0.426 | 42% | 0.421 | S | S | . | . | trans | -98.3 | 145.7 | 163.9 | -58.2 | 179.9 | -175.4 | 171.3 | 0 | 108.5 | G50 S54 Y55 E59 | G50-K52 PolarHBondContact O-N 3.39Å; K52-S54 PolarHBondContact O-N 2.92Å; K52-Y55 HydrophobicContact CB-CE1 4.11Å; K52-Y55 HydrophobicContact CB-CE2 4.16Å; K52-Y55 HydrophobicContact CD-CD1 4.36Å; K52-Y55 HydrophobicContact CD-CE1 3.94Å; K52-Y55 HydrophobicContact CG-CE1 4.27Å; K52-Y55 PolarHBondContact N-OH 2.77Å; K52-Y55 VanDerWaalsContact N-OH 3.14Å; K52-Y55 WeakPolarHBondContact O-CE2 3.42Å; K52-E59 IonicContact NZ-OE1 2.73Å; K52-E59 IonicContact NZ-OE2 3.47Å; K52-E59 PolarHBondContact NZ-OE2 3.24Å | ||
| 53 | D | 88.4 | Confident | 81.9 | Confident | 149 Ų | 149 | 68.5 Ų | 68.5 | 80% | 0.797 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -70 | -24 | 175.7 | -64 | -32.1 | 0 | 0 | 0 | 112.5 | ||
| 54 | S | 94.2 | Very high | 82.9 | Confident | 29 Ų | 29 | 59.6 Ų | 59.6 | 20% | 0.203 | 36% | 0.358 | C | S | . | . | trans | -151.2 | 153.3 | 178.9 | 56.7 | 0 | 0 | 0 | 0 | 112.5 | G38 K52 K86 | G38-S54 CarbonylContact O-C 3.51Å; G38-S54 VanDerWaalsContact O-CA 3.3Å; G38-S54 WeakPolarHBondContact O-CA 3.32Å; K52-S54 PolarHBondContact O-N 2.92Å; S54-K86 WeakPolarHBondContact OG-CD 3.09Å | ||
| 55 | Y | 95.8 | Very high | 83.8 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 1% | 0.012 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 148.9 | 177.9 | -62.1 | -87.4 | 0 | 0 | 0 | 108.1 | V37 G38 P40 M46 G50 K52 E59 K63 L67 | V37-Y55 CarbonylContact C-O 3.59Å; V37-Y55 WeakPolarHBondContact CA-O 3.46Å; G38-Y55 PolarHBondContact N-O 3.14Å; G38-Y55 PolarHBondContact O-N 3.23Å; P40-Y55 HydrophobicContact CG-CE2 4.19Å; M46-Y55 HydrophobicContact CE-CE1 4.02Å; M46-Y55 HydrophobicContact CE-CE2 3.59Å; M46-Y55 WeakPolarHBondContact CE-OH 3.48Å; M46-Y55 HydrophobicContact SD-CE2 3.39Å; M46-Y55 WeakPolarHBondContact SD-CE2 3.44Å; M46-Y55 VanDerWaalsContact SD-CZ 3.55Å; M46-Y55 PolarHBondContact SD-OH 2.89Å; G50-Y55 PolarHBondContact O-OH 3.11Å; K52-Y55 HydrophobicContact CB-CE1 4.11Å; K52-Y55 HydrophobicContact CB-CE2 4.16Å; K52-Y55 HydrophobicContact CD-CD1 4.36Å; K52-Y55 HydrophobicContact CD-CE1 3.94Å; K52-Y55 HydrophobicContact CG-CE1 4.27Å; K52-Y55 PolarHBondContact N-OH 2.77Å; K52-Y55 VanDerWaalsContact N-OH 3.14Å; K52-Y55 WeakPolarHBondContact O-CE2 3.42Å; Y55-E59 VanDerWaalsContact CD1-CD 3.4Å; Y55-E59 HydrophobicContact CD1-CG 3.79Å; Y55-E59 WeakPolarHBondContact CD1-OE1 3.48Å; Y55-E59 VanDerWaalsContact CE1-OE1 3.24Å; Y55-E59 WeakPolarHBondContact CE1-OE1 3.37Å; Y55-K63 HydrophobicContact CD1-CD 4.2Å; Y55-K63 HydrophobicContact CE1-CD 4.23Å; Y55-L67 HydrophobicContact CD2-CD1 3.76Å; Y55-L67 HydrophobicContact CD2-CD2 3.84Å; Y55-L67 HydrophobicContact CD2-CG 4.5Å; Y55-L67 HydrophobicContact CE2-CD2 4.22Å; Y55-L67 HydrophobicContact CG-CD1 3.91Å |
| 56 | V | 97.9 | Very high | 85 | Confident | 12 Ų | 12 | 60.5 Ų | 60.5 | 7% | 0.073 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 151.1 | -177.1 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | F33 I36 V37 E59 A60 K86 I87 H90 | F33-V56 HydrophobicContact CE2-CG1 4.34Å; I36-V56 WeakPolarHBondContact O-CA 3.45Å; V37-V56 HydrophobicContact CG2-CG2 4.4Å; V56-E59 WeakPolarHBondContact O-CB 3.43Å; V56-E59 PolarHBondContact O-N 2.9Å; V56-A60 PolarHBondContact O-N 3.07Å; V56-K86 HydrophobicContact CG2-CB 4.23Å; V56-I87 HydrophobicContact CG1-CG1 3.88Å; V56-H90 HydrophobicContact CB-CB 3.93Å; V56-H90 HydrophobicContact CG1-CB 3.69Å; V56-H90 VanDerWaalsContact CG1-CD2 3.5Å; V56-H90 WeakPolarHBondContact CG1-CD2 3.35Å; V56-H90 HydrophobicContact CG2-CB 4.28Å |
| 57 | G | 97.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | 62.7 | -137.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114 | P34 I36 E59 A60 Q61 | P34-G57 WeakPolarHBondContact O-CA 3.33Å; I36-G57 PolarHBondContact O-N 3.12Å; I36-G57 VanDerWaalsContact O-N 3.14Å; G57-E59 PolarHBondContact O-N 3.08Å; G57-A60 WeakPolarHBondContact O-CB 3.08Å; G57-A60 PolarHBondContact O-N 3.01Å; G57-Q61 PolarHBondContact O-N 3.47Å |
| 58 | D | 96.8 | Very high | 87.8 | Confident | 87 Ų | 87 | 58 Ų | 58 | 47% | 0.465 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.4 | -29.8 | -179.6 | -67 | -42.7 | 0 | 0 | 0 | 112.4 | P34 A60 Q61 S62 | P34-D58 WeakPolarHBondContact CD-OD1 3.19Å; D58-A60 VanDerWaalsContact C-N 3.34Å; D58-Q61 PolarHBondContact O-N 3.36Å; D58-S62 WeakPolarHBondContact O-CB 3.26Å; D58-S62 PolarHBondContact O-N 3.16Å; D58-S62 PolarHBondContact O-OG 3.18Å |
| 59 | E | 94.8 | Very high | 89.2 | Confident | 56 Ų | 56 | 55.5 Ų | 55.5 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 174.8 | -164.5 | -176.5 | 178 | 0 | 0 | 111.2 | K52 Y55 V56 G57 S62 K63 | K52-E59 IonicContact NZ-OE1 2.73Å; K52-E59 IonicContact NZ-OE2 3.47Å; K52-E59 PolarHBondContact NZ-OE2 3.24Å; Y55-E59 VanDerWaalsContact CD1-CD 3.4Å; Y55-E59 HydrophobicContact CD1-CG 3.79Å; Y55-E59 WeakPolarHBondContact CD1-OE1 3.48Å; Y55-E59 VanDerWaalsContact CE1-OE1 3.24Å; Y55-E59 WeakPolarHBondContact CE1-OE1 3.37Å; V56-E59 WeakPolarHBondContact O-CB 3.43Å; V56-E59 PolarHBondContact O-N 2.9Å; G57-E59 PolarHBondContact O-N 3.08Å; E59-S62 PolarHBondContact O-OG 3.46Å; E59-S62 VanDerWaalsContact O-OG 3.07Å; E59-K63 WeakPolarHBondContact O-CG 3.29Å; E59-K63 IonicContact OE1-NZ 3.66Å; E59-K63 PolarHBondContact OE1-NZ 3.45Å |
| 60 | A | 95.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.1 | -40.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I36 V56 G57 D58 K63 R64 L67 L69 | I36-A60 HydrophobicContact CD1-CB 4.05Å; I36-A60 HydrophobicContact CG1-CB 3.96Å; V56-A60 PolarHBondContact O-N 3.07Å; G57-A60 WeakPolarHBondContact O-CB 3.08Å; G57-A60 PolarHBondContact O-N 3.01Å; D58-A60 VanDerWaalsContact C-N 3.34Å; A60-K63 CarbonylContact O-C 3.58Å; A60-K63 PolarHBondContact O-N 2.8Å; A60-R64 PolarHBondContact O-N 3.12Å; A60-L67 HydrophobicContact CB-CD1 4.42Å; A60-L69 HydrophobicContact CB-CD2 4.03Å |
| 61 | Q | 94.2 | Very high | 92.3 | Very high | 46 Ų | 46 | 55.6 Ų | 55.6 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.1 | -47.8 | -178.3 | -173.2 | 63.3 | 6.6 | 0 | 0 | 111.7 | P34 I36 G57 D58 K63 R64 E209 | P34-Q61 HydrophobicContact CG-CB 4.48Å; I36-Q61 HydrophobicContact CD1-CB 3.95Å; I36-Q61 VanDerWaalsContact CD1-OE1 3.29Å; G57-Q61 PolarHBondContact O-N 3.47Å; D58-Q61 PolarHBondContact O-N 3.36Å; Q61-K63 PolarHBondContact O-N 2.9Å; Q61-R64 VanDerWaalsContact O-CB 3.31Å; Q61-R64 WeakPolarHBondContact O-CB 3.21Å; Q61-R64 PolarHBondContact O-N 3.21Å; Q61-E209 VanDerWaalsContact NE2-CG 3.34Å; Q61-E209 PolarHBondContact NE2-OE2 2.83Å |
| 62 | S | 92.6 | Very high | 93.5 | Very high | 94 Ų | 94 | 48.9 Ų | 48.9 | 66% | 0.657 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.3 | -23.9 | 178.4 | 56.7 | 0 | 0 | 0 | 0 | 113.4 | D58 E59 | D58-S62 WeakPolarHBondContact O-CB 3.26Å; D58-S62 PolarHBondContact O-N 3.16Å; D58-S62 PolarHBondContact O-OG 3.18Å; E59-S62 PolarHBondContact O-OG 3.46Å; E59-S62 VanDerWaalsContact O-OG 3.07Å |
| 63 | K | 91.5 | Very high | 94.1 | Very high | 40 Ų | 40 | 44.3 Ų | 44.3 | 17% | 0.174 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 14.8 | 179.7 | -61.6 | -175.1 | -178.3 | 91.1 | 0 | 113.5 | M46 Y55 E59 A60 Q61 G65 I66 L67 | M46-K63 HydrophobicContact CE-CD 4.09Å; Y55-K63 HydrophobicContact CD1-CD 4.2Å; Y55-K63 HydrophobicContact CE1-CD 4.23Å; E59-K63 WeakPolarHBondContact O-CG 3.29Å; E59-K63 IonicContact OE1-NZ 3.66Å; E59-K63 PolarHBondContact OE1-NZ 3.45Å; A60-K63 CarbonylContact O-C 3.58Å; A60-K63 PolarHBondContact O-N 2.8Å; Q61-K63 PolarHBondContact O-N 2.9Å; K63-G65 PolarHBondContact O-N 3.15Å; K63-I66 HydrophobicContact CB-CD1 4.46Å; K63-I66 HydrophobicContact CB-CG1 4.18Å; K63-I66 VanDerWaalsContact O-CG1 3.29Å; K63-I66 WeakPolarHBondContact O-CG1 3.45Å; K63-I66 PolarHBondContact O-N 3.06Å; K63-L67 HydrophobicContact CB-CD1 3.58Å; K63-L67 HydrophobicContact CB-CG 3.81Å; K63-L67 WeakPolarHBondContact O-CG 2.99Å; K63-L67 PolarHBondContact O-N 3.12Å; K63-L67 VanDerWaalsContact O-N 3.14Å |
| 64 | R | 91 | Very high | 94.4 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 6% | 0.057 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -34.9 | -176.3 | 178.3 | 173.7 | -69.6 | -130.2 | -6.5 | 114.9 | A60 Q61 I66 L67 L69 Y71 T205 E209 | A60-R64 PolarHBondContact O-N 3.12Å; Q61-R64 VanDerWaalsContact O-CB 3.31Å; Q61-R64 WeakPolarHBondContact O-CB 3.21Å; Q61-R64 PolarHBondContact O-N 3.21Å; R64-I66 VanDerWaalsContact C-N 3.26Å; R64-I66 PolarHBondContact O-N 3.43Å; R64-L67 VanDerWaalsContact O-O 3.09Å; R64-L69 HydrophobicContact CB-CD1 3.87Å; R64-L69 HydrophobicContact CG-CD1 3.62Å; R64-L69 HydrophobicContact CG-CG 4.4Å; R64-L69 VanDerWaalsContact CZ-CD1 3.46Å; R64-Y71 PolarHBondContact NH2-OH 3.03Å; R64-T205 PolarHBondContact NH1-O 3.25Å; R64-E209 IonicContact CZ-OE1 2.87Å; R64-E209 VanDerWaalsContact CZ-OE1 3.27Å; R64-E209 IonicContact NH1-OE1 2.81Å; R64-E209 PolarHBondContact NH1-OE1 3.32Å; R64-E209 VanDerWaalsContact NH1-OE1 3.08Å; R64-E209 IonicContact NH2-OE1 3.22Å; R64-E209 PolarHBondContact NH2-OE1 2.95Å |
| 65 | G | 87.7 | Confident | 94.4 | Very high | 67 Ų | 67 | 43.8 Ų | 43.8 | 69% | 0.691 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -28.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | K63 | K63-G65 PolarHBondContact O-N 3.15Š|
| 66 | I | 89.7 | Confident | 94.3 | Very high | 59 Ų | 59 | 44.3 Ų | 44.3 | 30% | 0.303 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -6.2 | -177.5 | 60.5 | 170.1 | 0 | 0 | 0 | 113.3 | R41 V45 M46 K63 R64 | R41-I66 PolarHBondContact N-O 3.02Å; R41-I66 VanDerWaalsContact N-O 3.08Å; V45-I66 HydrophobicContact CG1-CB 3.96Å; V45-I66 HydrophobicContact CG1-CD1 4.26Å; V45-I66 HydrophobicContact CG1-CG2 3.84Å; M46-I66 HydrophobicContact CE-CD1 4.46Å; K63-I66 HydrophobicContact CB-CD1 4.46Å; K63-I66 HydrophobicContact CB-CG1 4.18Å; K63-I66 VanDerWaalsContact O-CG1 3.29Å; K63-I66 WeakPolarHBondContact O-CG1 3.45Å; K63-I66 PolarHBondContact O-N 3.06Å; R64-I66 VanDerWaalsContact C-N 3.26Å; R64-I66 PolarHBondContact O-N 3.43Å |
| 67 | L | 92.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 149.2 | 179.4 | -57.6 | -174.8 | 0 | 0 | 0 | 111.9 | R39 P40 R41 Y55 A60 K63 R64 L69 | R39-L67 CarbonylContact O-C 3.55Å; R39-L67 VanDerWaalsContact O-CA 3.32Å; R39-L67 WeakPolarHBondContact O-CA 3.38Å; P40-L67 HydrophobicContact CB-CD2 4.35Å; P40-L67 HydrophobicContact CG-CD2 4.12Å; R41-L67 PolarHBondContact NE-O 3.46Å; R41-L67 PolarHBondContact NH2-O 3.4Å; R41-L67 VanDerWaalsContact NH2-O 3.08Å; Y55-L67 HydrophobicContact CD2-CD1 3.76Å; Y55-L67 HydrophobicContact CD2-CD2 3.84Å; Y55-L67 HydrophobicContact CD2-CG 4.5Å; Y55-L67 HydrophobicContact CE2-CD2 4.22Å; Y55-L67 HydrophobicContact CG-CD1 3.91Å; A60-L67 HydrophobicContact CB-CD1 4.42Å; K63-L67 HydrophobicContact CB-CD1 3.58Å; K63-L67 HydrophobicContact CB-CG 3.81Å; K63-L67 WeakPolarHBondContact O-CG 2.99Å; K63-L67 PolarHBondContact O-N 3.12Å; K63-L67 VanDerWaalsContact O-N 3.14Å; R64-L67 VanDerWaalsContact O-O 3.09Å; L67-L69 HydrophobicContact CB-CD2 3.94Å; L67-L69 HydrophobicContact CD1-CD2 4.44Å |
| 68 | T | 93.5 | Very high | 94.3 | Very high | 68 Ų | 68 | 45.7 Ų | 45.7 | 42% | 0.417 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 114.6 | 159.2 | -62 | 0 | 0 | 0 | 0 | 107.3 | G38 R39 R41 | G38-T68 WeakPolarHBondContact CA-O 3.34Å; R39-T68 PolarHBondContact N-O 3.36Å; R39-T68 PolarHBondContact O-N 3.38Å; R41-T68 WeakPolarHBondContact CG-OG1 3.35Å |
| 69 | L | 95 | Very high | 94.3 | Very high | 31 Ų | 31 | 44.9 Ų | 44.9 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 136.3 | -179.7 | -57 | -176.5 | 0 | 0 | 0 | 110.5 | I36 A60 R64 L67 | I36-L69 HydrophobicContact CD1-CD1 4.24Å; A60-L69 HydrophobicContact CB-CD2 4.03Å; R64-L69 HydrophobicContact CB-CD1 3.87Å; R64-L69 HydrophobicContact CG-CD1 3.62Å; R64-L69 HydrophobicContact CG-CG 4.4Å; R64-L69 VanDerWaalsContact CZ-CD1 3.46Å; L67-L69 HydrophobicContact CB-CD2 3.94Å; L67-L69 HydrophobicContact CD1-CD2 4.44Å |
| 70 | K | 96.8 | Very high | 94.5 | Very high | 107 Ų | 107 | 44.5 Ų | 44.5 | 47% | 0.465 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 151 | 173.7 | -69.4 | -167.9 | 173.1 | -171.5 | 0 | 110.3 | I36 V37 | I36-K70 WeakPolarHBondContact CA-O 3.38Å; V37-K70 PolarHBondContact N-O 2.8Å; V37-K70 PolarHBondContact O-N 3.16Å |
| 71 | Y | 96.4 | Very high | 94.6 | Very high | 65 Ų | 65 | 46.7 Ų | 46.7 | 26% | 0.255 | 26% | 0.257 | S | S | . | . | trans | -117.9 | 106.4 | -179.2 | -58.3 | -99.4 | 0 | 0 | 0 | 107.1 | I36 R64 I73 | I36-Y71 HydrophobicContact CG2-CD1 3.46Å; I36-Y71 VanDerWaalsContact CG2-CD1 3.46Å; I36-Y71 HydrophobicContact CG2-CE1 3.27Å; I36-Y71 HydrophobicContact CG2-CG 4.29Å; R64-Y71 PolarHBondContact NH2-OH 3.03Å; Y71-I73 PolarHBondContact O-N 3.29Å | ||
| 72 | P | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -75.9 | -7.1 | -175.7 | 27.5 | -31.7 | 0 | 0 | 0 | 114.2 | S35 I78 T79 N80 D83 M84 I87 | S35-P72 WeakPolarHBondContact O-CD 3.38Å; P72-I78 CarbonylContact O-C 3.57Å; P72-I78 WeakPolarHBondContact O-CA 3.06Å; P72-T79 PolarHBondContact O-N 3.19Å; P72-T79 PolarHBondContact O-OG1 3.02Å; P72-N80 HydrophobicContact CB-CB 4.11Å; P72-N80 WeakPolarHBondContact CB-O 3.32Å; P72-N80 PolarHBondContact O-N 2.78Å; P72-D83 HydrophobicContact CB-CB 3.81Å; P72-D83 HydrophobicContact CG-CB 4.2Å; P72-M84 HydrophobicContact CB-CB 4.47Å; P72-M84 HydrophobicContact CG-SD 4.34Å; P72-I87 HydrophobicContact CG-CD1 3.34Å; P72-I87 HydrophobicContact CG-CG1 4.45Å |
| 73 | I | 97.6 | Very high | 95 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 120.1 | 177.4 | -52.5 | 173.6 | 0 | 0 | 0 | 108.5 | N14 S16 Y71 I77 I78 M84 | N14-I73 HydrophobicContact CB-CD1 4.23Å; S16-I73 WeakPolarHBondContact OG-CG2 3.5Å; Y71-I73 PolarHBondContact O-N 3.29Å; I73-I77 CarbonylContact C-O 3.52Å; I73-I77 WeakPolarHBondContact CA-O 3.43Å; I73-I78 HydrophobicContact CG1-CG1 4.01Å; I73-M84 HydrophobicContact CD1-CE 4.15Å; I73-M84 HydrophobicContact CD1-SD 3.85Å; I73-M84 HydrophobicContact CG1-SD 3.93Å |
| 74 | E | 94.7 | Very high | 95.4 | Very high | 97 Ų | 97 | 43.3 Ų | 43.3 | 45% | 0.453 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 125.6 | 178.3 | -66.4 | 175.9 | -151.4 | 0 | 0 | 109.2 | G76 I77 T79 | E74-G76 PolarHBondContact O-N 2.88Å; E74-G76 VanDerWaalsContact O-N 3.15Å; E74-I77 PolarHBondContact N-O 2.72Å; E74-I77 PolarHBondContact O-N 2.91Å; E74-T79 HydrophobicContact CB-CG2 4Å; E74-T79 HydrophobicContact CG-CG2 4.28Å; E74-T79 PolarHBondContact OE1-OG1 3.09Å |
| 75 | H | 94.1 | Very high | 95.7 | Very high | 70 Ų | 70 | 44.9 Ų | 44.9 | 32% | 0.324 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | 44 | -176.6 | -46.6 | 107.6 | 0 | 0 | 0 | 113.9 | I77 G160 V161 | H75-I77 VanDerWaalsContact C-N 3.29Å; H75-I77 PolarHBondContact O-N 3.43Å; H75-G160 WeakPolarHBondContact CA-O 3.3Å; H75-G160 PolarHBondContact CD2-O 3.11Å; H75-V161 HydrophobicContact CB-CB 4.3Å |
| 76 | G | 93.7 | Very high | 96.2 | Very high | 13 Ų | 13 | 44.7 Ų | 44.7 | 13% | 0.134 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -2.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116 | S16 E74 | S16-G76 WeakPolarHBondContact OG-CA 3.24Å; S16-G76 PolarHBondContact OG-N 3.21Å; E74-G76 PolarHBondContact O-N 2.88Å; E74-G76 VanDerWaalsContact O-N 3.15Å |
| 77 | I | 96.7 | Very high | 96.6 | Very high | 26 Ų | 26 | 41.9 Ų | 41.9 | 13% | 0.133 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131 | -176.7 | -55.4 | -56.2 | 0 | 0 | 0 | 110.3 | I73 E74 H75 T79 N117 | I73-I77 CarbonylContact C-O 3.52Å; I73-I77 WeakPolarHBondContact CA-O 3.43Å; E74-I77 PolarHBondContact N-O 2.72Å; E74-I77 PolarHBondContact O-N 2.91Å; H75-I77 VanDerWaalsContact C-N 3.29Å; H75-I77 PolarHBondContact O-N 3.43Å; I77-T79 PolarHBondContact O-N 2.79Å; I77-N117 WeakPolarHBondContact CG2-ND2 3.33Å |
| 78 | I | 97.9 | Very high | 97 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 8% | 0.077 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 119.2 | 171.5 | -61.7 | 160.6 | 0 | 0 | 0 | 108.9 | P72 I73 W81 M84 W88 N117 M121 | P72-I78 CarbonylContact O-C 3.57Å; P72-I78 WeakPolarHBondContact O-CA 3.06Å; I73-I78 HydrophobicContact CG1-CG1 4.01Å; I78-W81 HydrophobicContact CB-CH2 4.06Å; I78-W81 HydrophobicContact CB-CZ2 4.09Å; I78-W81 HydrophobicContact CB-CZ3 4.37Å; I78-W81 HydrophobicContact CD1-CH2 3.77Å; I78-W81 HydrophobicContact CD1-CZ3 3.72Å; I78-W81 HydrophobicContact CG2-CD2 3.8Å; I78-W81 HydrophobicContact CG2-CE3 3.83Å; I78-W81 HydrophobicContact CG2-CG 4.42Å; I78-W81 HydrophobicContact CG2-CH2 4.08Å; I78-W81 HydrophobicContact CG2-CZ2 4.02Å; I78-W81 HydrophobicContact CG2-CZ3 4Å; I78-M84 HydrophobicContact CD1-CG 3.95Å; I78-M84 HydrophobicContact CD1-SD 4.38Å; I78-M84 HydrophobicContact CG1-CG 4.2Å; I78-M84 HydrophobicContact CG1-SD 4.23Å; I78-M84 HydrophobicContact CG2-CB 3.95Å; I78-M84 HydrophobicContact CG2-CG 4.19Å; I78-W88 HydrophobicContact CD1-CH2 4.16Å; I78-W88 HydrophobicContact CD1-CZ2 4.16Å; I78-N117 PolarHBondContact O-ND2 2.88Å; I78-M121 HydrophobicContact CD1-CG 4.12Å; I78-M121 HydrophobicContact CD1-SD 4.05Å |
| 79 | T | 97.1 | Very high | 97.2 | Very high | 71 Ų | 71 | 43.2 Ų | 43.2 | 44% | 0.436 | 21% | 0.21 | S | C | . | . | trans | -107.9 | -18.1 | 178.4 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | P72 E74 I77 | P72-T79 PolarHBondContact O-N 3.19Å; P72-T79 PolarHBondContact O-OG1 3.02Å; E74-T79 HydrophobicContact CB-CG2 4Å; E74-T79 HydrophobicContact CG-CG2 4.28Å; E74-T79 PolarHBondContact OE1-OG1 3.09Å; I77-T79 PolarHBondContact O-N 2.79Å | ||
| 80 | N | 98.2 | Very high | 97.3 | Very high | 47 Ų | 47 | 42.6 Ų | 42.6 | 25% | 0.251 | 21% | 0.206 | S | C | . | . | trans | -134.6 | 102 | 178.9 | -176.7 | -22.5 | 0 | 0 | 0 | 111.3 | P72 D82 D83 M84 | P72-N80 HydrophobicContact CB-CB 4.11Å; P72-N80 WeakPolarHBondContact CB-O 3.32Å; P72-N80 PolarHBondContact O-N 2.78Å; N80-D82 PolarHBondContact OD1-N 2.89Å; N80-D83 HydrophobicContact CB-CB 4.34Å; N80-D83 PolarHBondContact ND2-OD2 2.82Å; N80-D83 VanDerWaalsContact ND2-OD2 3.1Å; N80-D83 PolarHBondContact OD1-N 3.12Å; N80-D83 VanDerWaalsContact OD1-N 3.07Å; N80-M84 PolarHBondContact O-N 3.34Å | ||
| 81 | W | 98.2 | Very high | 97.4 | Very high | 46 Ų | 46 | 37.5 Ų | 37.5 | 17% | 0.174 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.5 | -39.4 | -177.1 | -66.1 | 101.4 | 0 | 0 | 0 | 113.3 | I78 D83 M84 E85 W88 N117 K120 M121 I124 | I78-W81 HydrophobicContact CB-CH2 4.06Å; I78-W81 HydrophobicContact CB-CZ2 4.09Å; I78-W81 HydrophobicContact CB-CZ3 4.37Å; I78-W81 HydrophobicContact CD1-CH2 3.77Å; I78-W81 HydrophobicContact CD1-CZ3 3.72Å; I78-W81 HydrophobicContact CG2-CD2 3.8Å; I78-W81 HydrophobicContact CG2-CE3 3.83Å; I78-W81 HydrophobicContact CG2-CG 4.42Å; I78-W81 HydrophobicContact CG2-CH2 4.08Å; I78-W81 HydrophobicContact CG2-CZ2 4.02Å; I78-W81 HydrophobicContact CG2-CZ3 4Å; W81-D83 PolarHBondContact O-N 3.42Å; W81-M84 PolarHBondContact O-N 2.96Å; W81-M84 VanDerWaalsContact O-N 3.1Å; W81-E85 WeakPolarHBondContact O-CG 3.48Å; W81-E85 PolarHBondContact O-N 3.41Å; W81-W88 AromaticContact CZ3-CH2 3.99Å; W81-W88 HydrophobicContact CZ3-CH2 3.99Å; W81-W88 HydrophobicContact CZ3-CZ3 4.43Å; W81-N117 HydrophobicContact CH2-CB 4.16Å; W81-N117 VanDerWaalsContact CH2-O 3.31Å; W81-N117 WeakPolarHBondContact CH2-O 2.95Å; W81-N117 HydrophobicContact CZ2-CB 3.85Å; W81-K120 HydrophobicContact CD2-CB 4.2Å; W81-K120 HydrophobicContact CD2-CG 3.39Å; W81-K120 VanDerWaalsContact CE2-CG 3.48Å; W81-K120 HydrophobicContact CE3-CB 4.31Å; W81-K120 HydrophobicContact CE3-CG 3.63Å; W81-K120 HydrophobicContact CG-CG 3.9Å; W81-K120 HydrophobicContact CH2-CB 3.79Å; W81-K120 HydrophobicContact CH2-CG 4.03Å; W81-K120 HydrophobicContact CZ2-CB 3.67Å; W81-K120 HydrophobicContact CZ2-CG 3.83Å; W81-K120 HydrophobicContact CZ3-CB 4.09Å; W81-K120 HydrophobicContact CZ3-CG 3.91Å; W81-M121 HydrophobicContact CH2-CG 3.64Å; W81-M121 HydrophobicContact CZ3-CB 4.49Å; W81-M121 HydrophobicContact CZ3-CG 3.69Å; W81-I124 HydrophobicContact CB-CD1 4.48Å; W81-I124 HydrophobicContact CD2-CD1 4.27Å; W81-I124 HydrophobicContact CE3-CD1 3.45Å; W81-I124 VanDerWaalsContact CE3-CD1 3.45Å; W81-I124 HydrophobicContact CZ3-CD1 4.06Å |
| 82 | D | 98 | Very high | 97.5 | Very high | 110 Ų | 110 | 34.4 Ų | 34.4 | 59% | 0.588 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -61.6 | -34.4 | 178.8 | -63.3 | -8.4 | 0 | 0 | 0 | 112.2 | N80 K86 | N80-D82 PolarHBondContact OD1-N 2.89Å; D82-K86 WeakPolarHBondContact O-CG 3.46Å; D82-K86 PolarHBondContact O-NZ 3.31Å |
| 83 | D | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -81.5 | -32.9 | 176.2 | -77.1 | -7.6 | 0 | 0 | 0 | 111.5 | V37 R39 P72 N80 W81 K86 I87 | V37-D83 HydrophobicContact CB-CB 4.29Å; V37-D83 HydrophobicContact CG2-CB 3.81Å; R39-D83 IonicContact CZ-OD1 3.63Å; R39-D83 VanDerWaalsContact CZ-OD1 3.23Å; R39-D83 IonicContact CZ-OD2 3.24Å; R39-D83 IonicContact NH1-OD1 2.74Å; R39-D83 PolarHBondContact NH1-OD1 2.72Å; R39-D83 IonicContact NH1-OD2 2.85Å; R39-D83 PolarHBondContact NH1-OD2 3.48Å; R39-D83 IonicContact NH2-OD1 3.49Å; R39-D83 PolarHBondContact NH2-OD1 2.75Å; R39-D83 IonicContact NH2-OD2 2.88Å; P72-D83 HydrophobicContact CB-CB 3.81Å; P72-D83 HydrophobicContact CG-CB 4.2Å; N80-D83 HydrophobicContact CB-CB 4.34Å; N80-D83 PolarHBondContact ND2-OD2 2.82Å; N80-D83 VanDerWaalsContact ND2-OD2 3.1Å; N80-D83 PolarHBondContact OD1-N 3.12Å; N80-D83 VanDerWaalsContact OD1-N 3.07Å; W81-D83 PolarHBondContact O-N 3.42Å; D83-K86 PolarHBondContact O-N 3.26Å; D83-K86 IonicContact OD1-NZ 3.86Å; D83-K86 PolarHBondContact OD1-NZ 3.2Å; D83-I87 PolarHBondContact O-N 2.82Å; D83-I87 VanDerWaalsContact O-N 3.11Å |
| 84 | M | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66 | -40.2 | 173.1 | -163.6 | 66.3 | -152.9 | 0 | 0 | 112.4 | N14 P72 I73 I78 N80 W81 K86 I87 W88 | N14-M84 HydrophobicContact CB-CE 4.31Å; N14-M84 WeakPolarHBondContact OD1-CE 3.41Å; P72-M84 HydrophobicContact CB-CB 4.47Å; P72-M84 HydrophobicContact CG-SD 4.34Å; I73-M84 HydrophobicContact CD1-CE 4.15Å; I73-M84 HydrophobicContact CD1-SD 3.85Å; I73-M84 HydrophobicContact CG1-SD 3.93Å; I78-M84 HydrophobicContact CD1-CG 3.95Å; I78-M84 HydrophobicContact CD1-SD 4.38Å; I78-M84 HydrophobicContact CG1-CG 4.2Å; I78-M84 HydrophobicContact CG1-SD 4.23Å; I78-M84 HydrophobicContact CG2-CB 3.95Å; I78-M84 HydrophobicContact CG2-CG 4.19Å; N80-M84 PolarHBondContact O-N 3.34Å; W81-M84 PolarHBondContact O-N 2.96Å; W81-M84 VanDerWaalsContact O-N 3.1Å; M84-K86 VanDerWaalsContact C-N 3.28Å; M84-K86 PolarHBondContact O-N 2.85Å; M84-I87 HydrophobicContact CE-CB 4.42Å; M84-I87 HydrophobicContact CE-CG2 3.93Å; M84-I87 WeakPolarHBondContact O-CA 3.06Å; M84-I87 WeakPolarHBondContact O-CB 3.45Å; M84-I87 PolarHBondContact O-N 3.25Å; M84-I87 HydrophobicContact SD-CB 4.47Å; M84-I87 HydrophobicContact SD-CD1 4.43Å; M84-W88 HydrophobicContact CE-CD2 4.13Å; M84-W88 VanDerWaalsContact CE-CE2 3.4Å; M84-W88 HydrophobicContact CE-CG 4.37Å; M84-W88 HydrophobicContact CE-CZ2 3.75Å; M84-W88 HydrophobicContact CG-CD2 4.06Å; M84-W88 HydrophobicContact CG-CE3 4.09Å; M84-W88 HydrophobicContact CG-CH2 3.73Å; M84-W88 HydrophobicContact CG-CZ2 3.67Å; M84-W88 HydrophobicContact CG-CZ3 3.94Å; M84-W88 PolarHBondContact O-N 2.86Å |
| 85 | E | 98.3 | Very high | 97.7 | Very high | 48 Ų | 48 | 40.9 Ų | 40.9 | 22% | 0.224 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.8 | -39.5 | 174.1 | -76.8 | -174.6 | -135.6 | 0 | 0 | 111.7 | W81 I87 W88 H89 I124 | W81-E85 WeakPolarHBondContact O-CG 3.48Å; W81-E85 PolarHBondContact O-N 3.41Å; E85-I87 VanDerWaalsContact C-N 3.34Å; E85-I87 PolarHBondContact O-N 2.94Å; E85-W88 PolarHBondContact O-N 3.43Å; E85-H89 WeakPolarHBondContact O-CB 3.42Å; E85-H89 PolarHBondContact O-N 3.35Å; E85-I124 HydrophobicContact CG-CD1 3.84Å; E85-I124 HydrophobicContact CG-CG1 4.22Å; E85-I124 HydrophobicContact CG-CG2 3.71Å; E85-I124 WeakPolarHBondContact OE1-CD1 3.12Å |
| 86 | K | 98.3 | Very high | 97.9 | Very high | 62 Ų | 62 | 38.4 Ų | 38.4 | 27% | 0.27 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.3 | -38 | 173.7 | -67.5 | 178.6 | -167.6 | 75.8 | 0 | 112.3 | V37 S54 V56 D82 D83 M84 H90 | V37-K86 HydrophobicContact CG1-CD 4.19Å; S54-K86 WeakPolarHBondContact OG-CD 3.09Å; V56-K86 HydrophobicContact CG2-CB 4.23Å; D82-K86 WeakPolarHBondContact O-CG 3.46Å; D82-K86 PolarHBondContact O-NZ 3.31Å; D83-K86 PolarHBondContact O-N 3.26Å; D83-K86 IonicContact OD1-NZ 3.86Å; D83-K86 PolarHBondContact OD1-NZ 3.2Å; M84-K86 VanDerWaalsContact C-N 3.28Å; M84-K86 PolarHBondContact O-N 2.85Å; K86-H90 VanDerWaalsContact O-CB 3.31Å; K86-H90 WeakPolarHBondContact O-CB 3.29Å; K86-H90 PolarHBondContact O-N 3.36Å |
| 87 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.6 | -45.3 | 175.1 | -73.4 | -179.7 | 0 | 0 | 0 | 110.9 | V19 F33 V37 V56 P72 D83 M84 E85 H90 T91 | V19-I87 HydrophobicContact CG2-CG2 3.65Å; F33-I87 HydrophobicContact CE2-CG2 4.14Å; F33-I87 HydrophobicContact CZ-CG2 4.23Å; V37-I87 HydrophobicContact CG2-CD1 4.3Å; V37-I87 HydrophobicContact CG2-CG1 3.95Å; V56-I87 HydrophobicContact CG1-CG1 3.88Å; P72-I87 HydrophobicContact CG-CD1 3.34Å; P72-I87 HydrophobicContact CG-CG1 4.45Å; D83-I87 PolarHBondContact O-N 2.82Å; D83-I87 VanDerWaalsContact O-N 3.11Å; M84-I87 HydrophobicContact CE-CB 4.42Å; M84-I87 HydrophobicContact CE-CG2 3.93Å; M84-I87 WeakPolarHBondContact O-CA 3.06Å; M84-I87 WeakPolarHBondContact O-CB 3.45Å; M84-I87 PolarHBondContact O-N 3.25Å; M84-I87 HydrophobicContact SD-CB 4.47Å; M84-I87 HydrophobicContact SD-CD1 4.43Å; E85-I87 VanDerWaalsContact C-N 3.34Å; E85-I87 PolarHBondContact O-N 2.94Å; I87-H90 WeakPolarHBondContact O-CB 3.45Å; I87-H90 PolarHBondContact O-N 2.84Å; I87-T91 WeakPolarHBondContact O-CB 3.27Å; I87-T91 PolarHBondContact O-N 2.82Å; I87-T91 PolarHBondContact O-OG1 2.92Å |
| 88 | W | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.4 | -41.4 | 177.1 | -69.8 | -38 | 0 | 0 | 0 | 112.6 | N14 I78 W81 M84 E85 H90 T91 F92 L107 M121 I124 M125 F129 | N14-W88 PolarHBondContact OD1-NE1 3.36Å; I78-W88 HydrophobicContact CD1-CH2 4.16Å; I78-W88 HydrophobicContact CD1-CZ2 4.16Å; W81-W88 AromaticContact CZ3-CH2 3.99Å; W81-W88 HydrophobicContact CZ3-CH2 3.99Å; W81-W88 HydrophobicContact CZ3-CZ3 4.43Å; M84-W88 HydrophobicContact CE-CD2 4.13Å; M84-W88 VanDerWaalsContact CE-CE2 3.4Å; M84-W88 HydrophobicContact CE-CG 4.37Å; M84-W88 HydrophobicContact CE-CZ2 3.75Å; M84-W88 HydrophobicContact CG-CD2 4.06Å; M84-W88 HydrophobicContact CG-CE3 4.09Å; M84-W88 HydrophobicContact CG-CH2 3.73Å; M84-W88 HydrophobicContact CG-CZ2 3.67Å; M84-W88 HydrophobicContact CG-CZ3 3.94Å; M84-W88 PolarHBondContact O-N 2.86Å; E85-W88 PolarHBondContact O-N 3.43Å; W88-H90 VanDerWaalsContact C-N 3.28Å; W88-H90 PolarHBondContact O-N 3.08Å; W88-T91 WeakPolarHBondContact O-CA 3.46Å; W88-T91 VanDerWaalsContact O-CB 3.29Å; W88-T91 WeakPolarHBondContact O-CB 3.46Å; W88-T91 PolarHBondContact O-N 3.05Å; W88-T91 VanDerWaalsContact O-N 3.08Å; W88-F92 HydrophobicContact CB-CD2 4.45Å; W88-F92 HydrophobicContact CB-CE2 4.01Å; W88-F92 WeakPolarHBondContact O-CD2 3.4Å; W88-F92 WeakPolarHBondContact O-CG 3.41Å; W88-F92 PolarHBondContact O-N 3.17Å; W88-L107 HydrophobicContact CH2-CD2 4.38Å; W88-L107 HydrophobicContact CZ2-CD2 3.61Å; W88-M121 HydrophobicContact CH2-CB 4.46Å; W88-M121 HydrophobicContact CH2-CG 3.99Å; W88-M121 HydrophobicContact CZ2-CG 4.46Å; W88-I124 HydrophobicContact CE3-CG2 3.83Å; W88-I124 HydrophobicContact CZ3-CB 4.18Å; W88-I124 HydrophobicContact CZ3-CD1 3.96Å; W88-I124 HydrophobicContact CZ3-CG2 3.71Å; W88-M125 HydrophobicContact CB-CE 4.12Å; W88-M125 HydrophobicContact CD2-CE 3.3Å; W88-M125 HydrophobicContact CE3-CE 3.51Å; W88-M125 HydrophobicContact CG-CE 3.6Å; W88-M125 HydrophobicContact CH2-CE 4.31Å; W88-M125 HydrophobicContact CZ2-CE 4.16Å; W88-M125 HydrophobicContact CZ3-CE 4.02Å; W88-F129 HydrophobicContact CB-CE2 3.7Å; W88-F129 HydrophobicContact CB-CZ 3.65Å; W88-F129 HydrophobicContact CE3-CE2 4.07Å |
| 89 | H | 98.3 | Very high | 98.1 | Very high | 97 Ų | 97 | 47.9 Ų | 47.9 | 45% | 0.449 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.7 | -45.5 | 172.1 | -176.3 | -64.8 | 0 | 0 | 0 | 111.1 | E85 T91 F92 Y93 F129 | E85-H89 WeakPolarHBondContact O-CB 3.42Å; E85-H89 PolarHBondContact O-N 3.35Å; H89-T91 VanDerWaalsContact C-N 3.34Å; H89-T91 PolarHBondContact O-N 2.95Å; H89-F92 PolarHBondContact O-N 3.3Å; H89-Y93 HydrophobicContact CB-CD2 4.43Å; H89-Y93 AromaticContact CD2-CD2 3.62Å; H89-Y93 AromaticContact CD2-CE2 3.68Å; H89-Y93 AromaticContact CE1-CD2 3.46Å; H89-Y93 VanDerWaalsContact CE1-CD2 3.46Å; H89-Y93 WeakPolarHBondContact CE1-CD2 3.21Å; H89-Y93 AromaticContact CG-CD2 3.66Å; H89-Y93 AromaticContact ND1-CD2 3.56Å; H89-Y93 AromaticContact NE2-CD2 3.53Å; H89-Y93 AromaticContact NE2-CE2 3.78Å; H89-Y93 WeakPolarHBondContact O-CB 3.37Å; H89-Y93 VanDerWaalsContact O-CD2 3.28Å; H89-Y93 WeakPolarHBondContact O-CD2 3.28Å; H89-Y93 PolarHBondContact O-N 2.78Å; H89-F129 HydrophobicContact CB-CE1 4.08Å; H89-F129 HydrophobicContact CB-CZ 4.21Å |
| 90 | H | 98.4 | Very high | 98.2 | Very high | 17 Ų | 17 | 44.5 Ų | 44.5 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -61.7 | -42.4 | 174.9 | -177.8 | 68.6 | 0 | 0 | 0 | 112.1 | F33 V56 K86 I87 W88 F92 N94 E95 | F33-H90 AromaticContact CD2-CD2 3.98Å; F33-H90 AromaticContact CE2-CD2 3.71Å; F33-H90 AromaticContact CZ-CD2 3.97Å; V56-H90 HydrophobicContact CB-CB 3.93Å; V56-H90 HydrophobicContact CG1-CB 3.69Å; V56-H90 VanDerWaalsContact CG1-CD2 3.5Å; V56-H90 WeakPolarHBondContact CG1-CD2 3.35Å; V56-H90 HydrophobicContact CG2-CB 4.28Å; K86-H90 VanDerWaalsContact O-CB 3.31Å; K86-H90 WeakPolarHBondContact O-CB 3.29Å; K86-H90 PolarHBondContact O-N 3.36Å; I87-H90 WeakPolarHBondContact O-CB 3.45Å; I87-H90 PolarHBondContact O-N 2.84Å; W88-H90 VanDerWaalsContact C-N 3.28Å; W88-H90 PolarHBondContact O-N 3.08Å; H90-F92 PolarHBondContact O-N 3.23Å; H90-N94 WeakPolarHBondContact ND1-CB 3.28Å; H90-N94 PolarHBondContact ND1-OD1 2.83Å; H90-N94 WeakPolarHBondContact O-CA 3.5Å; H90-N94 VanDerWaalsContact O-CB 3.28Å; H90-N94 WeakPolarHBondContact O-CB 3.4Å; H90-N94 PolarHBondContact O-N 3.1Å; H90-E95 IonicContact CE1-OE1 3.64Å; H90-E95 PolarHBondContact CE1-OE1 3.44Å; H90-E95 IonicContact NE2-OE1 3.33Å; H90-E95 PolarHBondContact NE2-OE1 3.04Å; H90-E95 PolarHBondContact O-N 2.81Å |
| 91 | T | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -56.3 | -52.8 | 176.6 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | A21 F33 I87 W88 H89 E95 L96 | A21-T91 HydrophobicContact CB-CG2 3.33Å; F33-T91 WeakPolarHBondContact CZ-OG1 3.31Å; I87-T91 WeakPolarHBondContact O-CB 3.27Å; I87-T91 PolarHBondContact O-N 2.82Å; I87-T91 PolarHBondContact O-OG1 2.92Å; W88-T91 WeakPolarHBondContact O-CA 3.46Å; W88-T91 VanDerWaalsContact O-CB 3.29Å; W88-T91 WeakPolarHBondContact O-CB 3.46Å; W88-T91 PolarHBondContact O-N 3.05Å; W88-T91 VanDerWaalsContact O-N 3.08Å; H89-T91 VanDerWaalsContact C-N 3.34Å; H89-T91 PolarHBondContact O-N 2.95Å; T91-E95 WeakPolarHBondContact O-CB 3.49Å; T91-L96 HydrophobicContact CG2-CD1 4.3Å; T91-L96 WeakPolarHBondContact O-CB 3.22Å; T91-L96 WeakPolarHBondContact O-CG 2.87Å; T91-L96 PolarHBondContact O-N 3.16Å |
| 92 | F | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -72.8 | -50.7 | -175.5 | -58.8 | -49.1 | 0 | 0 | 0 | 112.3 | L10 W88 H89 H90 L96 R97 V98 P100 T105 M125 F129 | L10-F92 HydrophobicContact CD1-CD1 3.79Å; L10-F92 HydrophobicContact CD1-CE1 3.82Å; W88-F92 HydrophobicContact CB-CD2 4.45Å; W88-F92 HydrophobicContact CB-CE2 4.01Å; W88-F92 WeakPolarHBondContact O-CD2 3.4Å; W88-F92 WeakPolarHBondContact O-CG 3.41Å; W88-F92 PolarHBondContact O-N 3.17Å; H89-F92 PolarHBondContact O-N 3.3Å; H90-F92 PolarHBondContact O-N 3.23Å; F92-L96 CarbonylContact O-C 3.54Å; F92-R97 WeakPolarHBondContact O-CA 3.3Å; F92-R97 PolarHBondContact O-N 3.44Å; F92-V98 PolarHBondContact O-N 3.26Å; F92-P100 HydrophobicContact CB-CB 4.4Å; F92-P100 HydrophobicContact CB-CG 4.29Å; F92-P100 HydrophobicContact CD1-CB 4.25Å; F92-P100 HydrophobicContact CD2-CB 3.81Å; F92-P100 HydrophobicContact CD2-CG 3.97Å; F92-P100 HydrophobicContact CE2-CB 4.07Å; F92-P100 HydrophobicContact CG-CB 3.91Å; F92-P100 HydrophobicContact CG-CG 4.2Å; F92-P100 HydrophobicContact CZ-CB 4.42Å; F92-T105 HydrophobicContact CE1-CG2 4.3Å; F92-T105 HydrophobicContact CZ-CG2 4.18Å; F92-M125 HydrophobicContact CE2-CE 4.12Å; F92-M125 HydrophobicContact CE2-SD 4.29Å; F92-M125 HydrophobicContact CZ-CE 4.11Å; F92-M125 HydrophobicContact CZ-SD 4.11Å; F92-F129 AromaticContact CD2-CD1 3.75Å; F92-F129 HydrophobicContact CD2-CD1 3.75Å; F92-F129 AromaticContact CD2-CE1 3.88Å; F92-F129 HydrophobicContact CD2-CE1 3.88Å; F92-F129 HydrophobicContact CD2-CG 4.21Å; F92-F129 HydrophobicContact CD2-CZ 4.45Å; F92-F129 HydrophobicContact CE2-CB 4.43Å; F92-F129 AromaticContact CE2-CD1 3.91Å; F92-F129 HydrophobicContact CE2-CD1 3.91Å; F92-F129 HydrophobicContact CE2-CD2 4.14Å; F92-F129 HydrophobicContact CE2-CE1 4.18Å; F92-F129 HydrophobicContact CE2-CE2 4.41Å; F92-F129 AromaticContact CE2-CG 3.89Å; F92-F129 HydrophobicContact CE2-CG 3.89Å; F92-F129 HydrophobicContact CE2-CZ 4.42Å |
| 93 | Y | 98.2 | Very high | 98.1 | Very high | 92 Ų | 92 | 46 Ų | 46 | 36% | 0.361 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -91.9 | -27.4 | -167.6 | -61.5 | -71.3 | 0 | 0 | 0 | 114.4 | H89 P100 F129 | H89-Y93 HydrophobicContact CB-CD2 4.43Å; H89-Y93 AromaticContact CD2-CD2 3.62Å; H89-Y93 AromaticContact CD2-CE2 3.68Å; H89-Y93 AromaticContact CE1-CD2 3.46Å; H89-Y93 VanDerWaalsContact CE1-CD2 3.46Å; H89-Y93 WeakPolarHBondContact CE1-CD2 3.21Å; H89-Y93 AromaticContact CG-CD2 3.66Å; H89-Y93 AromaticContact ND1-CD2 3.56Å; H89-Y93 AromaticContact NE2-CD2 3.53Å; H89-Y93 AromaticContact NE2-CE2 3.78Å; H89-Y93 WeakPolarHBondContact O-CB 3.37Å; H89-Y93 VanDerWaalsContact O-CD2 3.28Å; H89-Y93 WeakPolarHBondContact O-CD2 3.28Å; H89-Y93 PolarHBondContact O-N 2.78Å; Y93-P100 HydrophobicContact CE2-CG 4.38Å; Y93-P100 VanDerWaalsContact CZ-CD 3.5Å; Y93-P100 WeakPolarHBondContact OH-CD 3.44Å; Y93-P100 WeakPolarHBondContact OH-CG 3.39Å; Y93-F129 HydrophobicContact CE2-CE1 4.42Å |
| 94 | N | 97.4 | Very high | 98.1 | Very high | 76 Ų | 76 | 46.8 Ų | 46.8 | 41% | 0.406 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -100.1 | -48.5 | -178.4 | -63.4 | 100.9 | 0 | 0 | 0 | 112.4 | H90 R97 | H90-N94 WeakPolarHBondContact ND1-CB 3.28Å; H90-N94 PolarHBondContact ND1-OD1 2.83Å; H90-N94 WeakPolarHBondContact O-CA 3.5Å; H90-N94 VanDerWaalsContact O-CB 3.28Å; H90-N94 WeakPolarHBondContact O-CB 3.4Å; H90-N94 PolarHBondContact O-N 3.1Å; N94-R97 WeakPolarHBondContact O-CG 3.33Å |
| 95 | E | 98.3 | Very high | 98.1 | Very high | 69 Ų | 69 | 46.8 Ų | 46.8 | 32% | 0.322 | 22% | 0.215 | S | C | . | . | I | π-helix | trans | -81.6 | -56.1 | -174.4 | -64.1 | -59.3 | 127.5 | 0 | 0 | 111.4 | A31 F33 H90 T91 | A31-E95 HydrophobicContact CB-CB 3.66Å; A31-E95 HydrophobicContact CB-CG 4.25Å; F33-E95 HydrophobicContact CD1-CG 3.77Å; F33-E95 HydrophobicContact CE1-CG 3.81Å; F33-E95 HydrophobicContact CG-CG 4.49Å; H90-E95 IonicContact CE1-OE1 3.64Å; H90-E95 PolarHBondContact CE1-OE1 3.44Å; H90-E95 IonicContact NE2-OE1 3.33Å; H90-E95 PolarHBondContact NE2-OE1 3.04Å; H90-E95 PolarHBondContact O-N 2.81Å; T91-E95 WeakPolarHBondContact O-CB 3.49Å |
| 96 | L | 98 | Very high | 98.1 | Very high | 17 Ų | 17 | 44.5 Ų | 44.5 | 9% | 0.089 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -84.5 | -25.8 | 179.8 | -61.2 | -177.3 | 0 | 0 | 0 | 113.4 | L10 A21 F23 R30 A31 T91 F92 V98 | L10-L96 HydrophobicContact CD1-CD1 4.17Å; L10-L96 HydrophobicContact CD2-CD1 4.02Å; A21-L96 HydrophobicContact CB-CD1 4.05Å; A21-L96 HydrophobicContact CB-CD2 4.31Å; A21-L96 HydrophobicContact CB-CG 4.32Å; F23-L96 HydrophobicContact CE2-CD2 4.42Å; R30-L96 HydrophobicContact CB-CD2 3.97Å; A31-L96 HydrophobicContact CB-CD2 4.48Å; T91-L96 HydrophobicContact CG2-CD1 4.3Å; T91-L96 WeakPolarHBondContact O-CB 3.22Å; T91-L96 WeakPolarHBondContact O-CG 2.87Å; T91-L96 PolarHBondContact O-N 3.16Å; F92-L96 CarbonylContact O-C 3.54Å; L96-V98 HydrophobicContact CB-CG2 3.92Å |
| 97 | R | 98 | Very high | 98.1 | Very high | 208 Ų | 208 | 41.6 Ų | 41.6 | 79% | 0.785 | 19% | 0.191 | S | C | * | . | trans | 56.7 | 46.9 | -179 | -53.5 | -179.6 | -176.2 | -179.6 | 2 | 113.1 | F92 N94 | F92-R97 WeakPolarHBondContact O-CA 3.3Å; F92-R97 PolarHBondContact O-N 3.44Å; N94-R97 WeakPolarHBondContact O-CG 3.33Å | ||
| 98 | V | 97.8 | Very high | 98.1 | Very high | 22 Ų | 22 | 41.7 Ų | 41.7 | 13% | 0.133 | 19% | 0.192 | C | C | . | . | trans | -124.6 | 160.7 | 178.8 | -64.6 | 0 | 0 | 0 | 0 | 111.6 | L10 F23 F92 L96 | L10-V98 HydrophobicContact CD1-CG2 3.83Å; F23-V98 HydrophobicContact CE1-CG1 4.18Å; F23-V98 HydrophobicContact CZ-CG1 3.61Å; F92-V98 PolarHBondContact O-N 3.26Å; L96-V98 HydrophobicContact CB-CG2 3.92Å | ||
| 99 | A | 97.7 | Very high | 98 | Very high | 23 Ų | 23 | 42.2 Ų | 42.2 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | trans | -87.7 | 112 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | E101 E102 H103 | A99-E101 HydrophobicContact CB-CG 4.2Å; A99-E101 PolarHBondContact O-N 3.46Å; A99-E101 VanDerWaalsContact O-N 3.16Å; A99-E102 HydrophobicContact CB-CG 4.12Å; A99-E102 PolarHBondContact O-N 3.03Å; A99-H103 PolarHBondContact O-CD2 3.34Å | ||
| 100 | P | 97.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -59.8 | -25.9 | -176.5 | 23.6 | -33 | 0 | 0 | 0 | 113.7 | F92 Y93 E102 H103 F129 V131 | F92-P100 HydrophobicContact CB-CB 4.4Å; F92-P100 HydrophobicContact CB-CG 4.29Å; F92-P100 HydrophobicContact CD1-CB 4.25Å; F92-P100 HydrophobicContact CD2-CB 3.81Å; F92-P100 HydrophobicContact CD2-CG 3.97Å; F92-P100 HydrophobicContact CE2-CB 4.07Å; F92-P100 HydrophobicContact CG-CB 3.91Å; F92-P100 HydrophobicContact CG-CG 4.2Å; F92-P100 HydrophobicContact CZ-CB 4.42Å; Y93-P100 HydrophobicContact CE2-CG 4.38Å; Y93-P100 VanDerWaalsContact CZ-CD 3.5Å; Y93-P100 WeakPolarHBondContact OH-CD 3.44Å; Y93-P100 WeakPolarHBondContact OH-CG 3.39Å; P100-E102 PolarHBondContact O-N 3.19Å; P100-H103 PolarHBondContact O-N 2.96Å; P100-H103 VanDerWaalsContact O-N 3.13Å; P100-F129 HydrophobicContact CB-CB 4.16Å; P100-F129 HydrophobicContact CG-CB 4.07Å; P100-F129 HydrophobicContact CG-CD1 3.96Å; P100-F129 HydrophobicContact CG-CG 4.46Å; P100-V131 HydrophobicContact CB-CG1 4.16Å |
| 101 | E | 97.7 | Very high | 97.7 | Very high | 96 Ų | 96 | 37 Ų | 37 | 45% | 0.449 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -63.7 | -14 | 174.3 | 60.4 | -94.7 | -137.6 | 0 | 0 | 114.3 | A99 N130 P132 | A99-E101 HydrophobicContact CB-CG 4.2Å; A99-E101 PolarHBondContact O-N 3.46Å; A99-E101 VanDerWaalsContact O-N 3.16Å; E101-N130 WeakPolarHBondContact CA-O 3.36Å; E101-N130 HydrophobicContact CB-CB 4.19Å; E101-P132 WeakPolarHBondContact O-CD 3.35Å |
| 102 | E | 97.2 | Very high | 97.4 | Very high | 117 Ų | 117 | 41.8 Ų | 41.8 | 55% | 0.547 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -95.6 | -6.1 | 177.1 | -62.2 | -179.9 | 175.5 | 0 | 0 | 112.8 | T7 A99 P100 | T7-E102 VanDerWaalsContact CB-O 3.23Å; T7-E102 WeakPolarHBondContact CB-O 3.39Å; T7-E102 WeakPolarHBondContact CG2-O 3.49Å; A99-E102 HydrophobicContact CB-CG 4.12Å; A99-E102 PolarHBondContact O-N 3.03Å; P100-E102 PolarHBondContact O-N 3.19Å |
| 103 | H | 97.6 | Very high | 97.3 | Very high | 23 Ų | 23 | 42.8 Ų | 42.8 | 11% | 0.106 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -133.7 | 125 | -169.5 | -63 | -83.1 | 0 | 0 | 0 | 114.2 | T8 L10 F23 A99 P100 T105 P132 | T8-H103 PolarHBondContact O-ND1 3.22Å; L10-H103 HydrophobicContact CD1-CB 3.88Å; L10-H103 HydrophobicContact CG-CB 3.74Å; F23-H103 AromaticContact CE1-CE1 3.94Å; A99-H103 PolarHBondContact O-CD2 3.34Å; P100-H103 PolarHBondContact O-N 2.96Å; P100-H103 VanDerWaalsContact O-N 3.13Å; H103-T105 PolarHBondContact O-N 2.8Å; H103-T105 PolarHBondContact O-OG1 3.29Å; H103-P132 WeakPolarHBondContact O-CD 3.49Å |
| 104 | P | 97.8 | Very high | 97.2 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 10% | 0.104 | 20% | 0.203 | C | C | . | . | trans | -53.8 | 138.7 | 163.9 | -23.9 | 34.3 | 0 | 0 | 0 | 110.7 | A9 L10 P132 A133 W358 | A9-P104 CarbonylContact C-O 3.37Å; A9-P104 WeakPolarHBondContact CA-O 3.49Å; A9-P104 HydrophobicContact CB-CB 4.08Å; L10-P104 PolarHBondContact N-O 3.11Å; P104-P132 HydrophobicContact CG-CG 4.35Å; P104-A133 CarbonylContact C-O 3.5Å; P104-A133 VanDerWaalsContact CA-O 3.26Å; P104-A133 WeakPolarHBondContact CA-O 3.45Å; P104-A133 HydrophobicContact CB-CB 4.09Å; P104-A133 HydrophobicContact CG-CB 4.44Å; P104-W358 HydrophobicContact CB-CD2 4.41Å; P104-W358 HydrophobicContact CB-CE3 4.46Å; P104-W358 HydrophobicContact CB-CH2 4.14Å; P104-W358 HydrophobicContact CB-CZ2 4.07Å; P104-W358 HydrophobicContact CB-CZ3 4.35Å | ||
| 105 | T | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 117.9 | -175 | -62.7 | 0 | 0 | 0 | 0 | 112.2 | L10 F92 H103 L107 M125 A133 M134 Y135 | L10-T105 HydrophobicContact CB-CG2 4.46Å; F92-T105 HydrophobicContact CE1-CG2 4.3Å; F92-T105 HydrophobicContact CZ-CG2 4.18Å; H103-T105 PolarHBondContact O-N 2.8Å; H103-T105 PolarHBondContact O-OG1 3.29Å; T105-L107 HydrophobicContact CG2-CD1 3.97Å; T105-L107 HydrophobicContact CG2-CG 4.23Å; T105-M125 HydrophobicContact CG2-SD 4.44Å; T105-A133 PolarHBondContact N-O 2.73Å; T105-M134 WeakPolarHBondContact O-CA 3.21Å; T105-M134 VanDerWaalsContact O-CB 3.28Å; T105-M134 WeakPolarHBondContact O-CB 3.33Å; T105-Y135 PolarHBondContact O-N 2.98Å; T105-Y135 VanDerWaalsContact O-N 3.09Å |
| 106 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 121.6 | 168 | -172.8 | 151 | 0 | 0 | 0 | 109.4 | L10 V11 C12 T108 Y135 A137 L142 L348 A349 F354 W358 | L10-L106 PolarHBondContact O-N 3.28Å; V11-L106 WeakPolarHBondContact CA-O 3.48Å; V11-L106 HydrophobicContact CG1-CD2 4.15Å; V11-L106 HydrophobicContact CG2-CB 4.45Å; C12-L106 PolarHBondContact N-O 2.79Å; L106-T108 HydrophobicContact CD2-CG2 4.15Å; L106-Y135 CarbonylContact C-O 3.53Å; L106-Y135 WeakPolarHBondContact CA-O 3.37Å; L106-Y135 HydrophobicContact CD1-CD1 4.37Å; L106-A137 HydrophobicContact CD2-CB 4.37Å; L106-L142 HydrophobicContact CD2-CD1 4.03Å; L106-L348 HydrophobicContact CD1-CD2 4.15Å; L106-A349 HydrophobicContact CD1-CB 4.32Å; L106-F354 HydrophobicContact CD1-CE1 4.28Å; L106-F354 HydrophobicContact CD1-CZ 4.1Å; L106-W358 HydrophobicContact CB-CH2 3.85Å; L106-W358 HydrophobicContact CB-CZ3 4.15Å |
| 107 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 153.7 | 170.3 | -61.7 | 99.2 | 0 | 0 | 0 | 110.3 | W88 T105 M125 M134 Y135 V136 A137 | W88-L107 HydrophobicContact CH2-CD2 4.38Å; W88-L107 HydrophobicContact CZ2-CD2 3.61Å; T105-L107 HydrophobicContact CG2-CD1 3.97Å; T105-L107 HydrophobicContact CG2-CG 4.23Å; L107-M125 HydrophobicContact CD1-CE 4.48Å; L107-M125 HydrophobicContact CD1-CG 3.76Å; L107-M125 HydrophobicContact CD1-SD 4.07Å; L107-M125 HydrophobicContact CD2-CE 3.6Å; L107-M125 HydrophobicContact CD2-CG 4.28Å; L107-M125 HydrophobicContact CD2-SD 4.28Å; L107-M125 HydrophobicContact CG-CE 4.49Å; L107-M134 HydrophobicContact CD1-CE 3.8Å; L107-Y135 PolarHBondContact N-O 3.01Å; L107-V136 CarbonylContact O-C 3.4Å; L107-V136 WeakPolarHBondContact O-CA 3.43Å; L107-A137 PolarHBondContact O-N 3.38Å |
| 108 | T | 98 | Very high | 97.1 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 153.4 | 174.4 | 67.6 | 0 | 0 | 0 | 0 | 112 | C12 D13 N14 L106 A137 L142 V341 | C12-T108 PolarHBondContact O-N 3Å; C12-T108 VanDerWaalsContact O-N 3.13Å; C12-T108 PolarHBondContact O-OG1 2.98Å; D13-T108 VanDerWaalsContact CA-OG1 3.25Å; D13-T108 WeakPolarHBondContact CA-OG1 3.48Å; D13-T108 HydrophobicContact CB-CG2 4.28Å; D13-T108 PolarHBondContact OD1-OG1 3.43Å; N14-T108 PolarHBondContact N-OG1 3.45Å; N14-T108 PolarHBondContact ND2-O 3.13Å; L106-T108 HydrophobicContact CD2-CG2 4.15Å; T108-A137 CarbonylContact C-O 3.19Å; T108-A137 VanDerWaalsContact CA-O 3.25Å; T108-A137 WeakPolarHBondContact CA-O 3.44Å; T108-L142 HydrophobicContact CG2-CD1 3.52Å; T108-V341 HydrophobicContact CG2-CG1 3.81Å |
| 109 | E | 97 | Very high | 97.2 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 6% | 0.056 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 150.9 | 173.6 | 67.9 | -176.4 | 174.8 | 0 | 0 | 112.2 | N113 R118 M121 V136 A137 I138 Q139 | E109-N113 HydrophobicContact CB-CB 4.23Å; E109-N113 HydrophobicContact CG-CB 4.38Å; E109-N113 WeakPolarHBondContact OE2-CB 3.35Å; E109-N113 PolarHBondContact OE2-ND2 3.42Å; E109-R118 IonicContact OE1-CZ 3.48Å; E109-R118 VanDerWaalsContact OE1-CZ 3.22Å; E109-R118 IonicContact OE1-NE 3.24Å; E109-R118 PolarHBondContact OE1-NE 2.86Å; E109-R118 IonicContact OE1-NH2 3.06Å; E109-R118 PolarHBondContact OE1-NH2 2.61Å; E109-R118 WeakPolarHBondContact OE2-CG 3.34Å; E109-R118 IonicContact OE2-NE 3.65Å; E109-R118 PolarHBondContact OE2-NE 2.87Å; E109-M121 HydrophobicContact CB-CE 4.35Å; E109-V136 HydrophobicContact CB-CG1 3.94Å; E109-V136 HydrophobicContact CG-CG1 3.66Å; E109-V136 WeakPolarHBondContact OE2-CG1 3.48Å; E109-A137 PolarHBondContact N-O 3.31Å; E109-I138 HydrophobicContact CG-CG1 4.4Å; E109-I138 WeakPolarHBondContact O-CA 3.46Å; E109-Q139 WeakPolarHBondContact O-CG 3.27Å; E109-Q139 PolarHBondContact O-N 2.91Å |
| 110 | A | 95.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.017 | 21% | 0.205 | C | C | . | . | trans | -64.8 | 151 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | N113 | A110-N113 PolarHBondContact O-N 3.31Š| ||
| 111 | P | 95 | Very high | 97.2 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.019 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 151.2 | 172 | 27.8 | -36.6 | 0 | 0 | 0 | 111.1 | N113 I138 H163 V165 I177 | P111-N113 PolarHBondContact O-N 3.36Å; P111-I138 HydrophobicContact CB-CG2 4.17Å; P111-H163 HydrophobicContact CG-CB 3.92Å; P111-H163 VanDerWaalsContact CG-CD2 3.43Å; P111-H163 WeakPolarHBondContact CG-CD2 3.1Å; P111-H163 VanDerWaalsContact CG-CG 3.47Å; P111-V165 HydrophobicContact CB-CG2 4.16Å; P111-V165 HydrophobicContact CG-CG2 3.81Å; P111-I177 HydrophobicContact CB-CD1 3.77Å; P111-I177 HydrophobicContact CB-CG2 4.16Å; P111-I177 HydrophobicContact CG-CG2 4.26Å |
| 112 | L | 93.2 | Very high | 97.2 | Very high | 100 Ų | 100 | 35.6 Ų | 35.6 | 52% | 0.524 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 25.6 | -179.6 | -47.7 | 174.6 | 0 | 0 | 0 | 114.2 | I177 | L112-I177 HydrophobicContact CD1-CB 4.44Å; L112-I177 HydrophobicContact CD1-CG2 4.12Å; L112-I177 HydrophobicContact CD2-CD1 4.25Å; L112-I177 HydrophobicContact CG-CD1 4.41Å; L112-I177 HydrophobicContact CG-CG2 4.38Å |
| 113 | N | 95.5 | Very high | 97.3 | Very high | 20 Ų | 20 | 32.8 Ų | 32.8 | 11% | 0.107 | 17% | 0.172 | C | C | . | . | trans | -58.5 | 132.5 | 173.9 | -167.6 | 23.5 | 0 | 0 | 0 | 111 | E109 A110 P111 K115 N117 M121 | E109-N113 HydrophobicContact CB-CB 4.23Å; E109-N113 HydrophobicContact CG-CB 4.38Å; E109-N113 WeakPolarHBondContact OE2-CB 3.35Å; E109-N113 PolarHBondContact OE2-ND2 3.42Å; A110-N113 PolarHBondContact O-N 3.31Å; P111-N113 PolarHBondContact O-N 3.36Å; N113-K115 PolarHBondContact O-N 3.13Å; N113-N117 WeakPolarHBondContact OD1-CB 3.31Å; N113-M121 WeakPolarHBondContact ND2-CE 3.22Å | ||
| 114 | P | 96.5 | Very high | 97.3 | Very high | 61 Ų | 61 | 31.8 Ų | 31.8 | 40% | 0.396 | 17% | 0.167 | S | C | . | . | trans | -54.9 | 138.1 | 178.5 | -29 | 36.2 | 0 | 0 | 0 | 112.5 | A116 N117 R118 | P114-A116 PolarHBondContact O-N 3.23Å; P114-N117 HydrophobicContact CB-CB 4.37Å; P114-N117 WeakPolarHBondContact O-CA 3.48Å; P114-N117 WeakPolarHBondContact O-CB 3.19Å; P114-N117 PolarHBondContact O-N 3.35Å; P114-R118 PolarHBondContact O-N 2.95Å | ||
| 115 | K | 96.6 | Very high | 97.4 | Very high | 145 Ų | 145 | 31 Ų | 31 | 63% | 0.63 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -54.7 | -40.8 | 179.6 | -74.3 | -170.5 | 175.3 | -175.5 | 0 | 113 | N113 N117 R118 E119 H373 | N113-K115 PolarHBondContact O-N 3.13Å; K115-N117 PolarHBondContact O-N 3.32Å; K115-R118 WeakPolarHBondContact O-CB 3.35Å; K115-R118 PolarHBondContact O-N 2.96Å; K115-R118 VanDerWaalsContact O-N 3.14Å; K115-E119 PolarHBondContact O-N 3.37Å; K115-H373 VanDerWaalsContact CB-CE1 3.46Å; K115-H373 WeakPolarHBondContact CB-CE1 3.39Å; K115-H373 PolarHBondContact O-CE1 3.49Å |
| 116 | A | 97.7 | Very high | 97.4 | Very high | 65 Ų | 65 | 31 Ų | 31 | 54% | 0.537 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.3 | -34.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P114 K120 | P114-A116 PolarHBondContact O-N 3.23Å; A116-K120 WeakPolarHBondContact O-CB 3.27Å; A116-K120 PolarHBondContact O-N 2.92Å |
| 117 | N | 97.9 | Very high | 97.4 | Very high | 22 Ų | 22 | 35.8 Ų | 35.8 | 12% | 0.118 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70 | -39.9 | 175.9 | -76.9 | 30.9 | 0 | 0 | 0 | 111.4 | I77 I78 W81 N113 P114 K115 E119 K120 M121 | I77-N117 WeakPolarHBondContact CG2-ND2 3.33Å; I78-N117 PolarHBondContact O-ND2 2.88Å; W81-N117 HydrophobicContact CH2-CB 4.16Å; W81-N117 VanDerWaalsContact CH2-O 3.31Å; W81-N117 WeakPolarHBondContact CH2-O 2.95Å; W81-N117 HydrophobicContact CZ2-CB 3.85Å; N113-N117 WeakPolarHBondContact OD1-CB 3.31Å; P114-N117 HydrophobicContact CB-CB 4.37Å; P114-N117 WeakPolarHBondContact O-CA 3.48Å; P114-N117 WeakPolarHBondContact O-CB 3.19Å; P114-N117 PolarHBondContact O-N 3.35Å; K115-N117 PolarHBondContact O-N 3.32Å; N117-E119 VanDerWaalsContact C-N 3.34Å; N117-E119 PolarHBondContact O-N 3.38Å; N117-K120 PolarHBondContact O-N 2.83Å; N117-M121 WeakPolarHBondContact O-CG 3.35Å; N117-M121 PolarHBondContact O-N 2.85Å |
| 118 | R | 97.8 | Very high | 97.4 | Very high | 26 Ų | 26 | 39.1 Ų | 39.1 | 10% | 0.098 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.9 | -48.3 | 174.3 | -50.7 | -176.3 | 85.9 | -155.9 | 12.4 | 110.8 | E109 P114 K115 K120 M121 T122 V372 C376 | E109-R118 IonicContact OE1-CZ 3.48Å; E109-R118 VanDerWaalsContact OE1-CZ 3.22Å; E109-R118 IonicContact OE1-NE 3.24Å; E109-R118 PolarHBondContact OE1-NE 2.86Å; E109-R118 IonicContact OE1-NH2 3.06Å; E109-R118 PolarHBondContact OE1-NH2 2.61Å; E109-R118 WeakPolarHBondContact OE2-CG 3.34Å; E109-R118 IonicContact OE2-NE 3.65Å; E109-R118 PolarHBondContact OE2-NE 2.87Å; P114-R118 PolarHBondContact O-N 2.95Å; K115-R118 WeakPolarHBondContact O-CB 3.35Å; K115-R118 PolarHBondContact O-N 2.96Å; K115-R118 VanDerWaalsContact O-N 3.14Å; R118-K120 VanDerWaalsContact C-N 3.34Å; R118-K120 PolarHBondContact O-N 3.49Å; R118-M121 PolarHBondContact O-N 3.28Å; R118-T122 PolarHBondContact O-N 3.34Å; R118-T122 PolarHBondContact O-OG1 2.94Å; R118-T122 VanDerWaalsContact O-OG1 3.09Å; R118-V372 HydrophobicContact CB-CG1 3.72Å; R118-V372 HydrophobicContact CB-CG2 4.2Å; R118-C376 VanDerWaalsContact CZ-O 3.3Å; R118-C376 PolarHBondContact NH1-O 2.96Å; R118-C376 PolarHBondContact NH2-O 2.89Å |
| 119 | E | 98.5 | Very high | 97.4 | Very high | 68 Ų | 68 | 39.3 Ų | 39.3 | 32% | 0.318 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.8 | -43.6 | 176.5 | -71.5 | 174.7 | -155.7 | 0 | 0 | 111.8 | K115 N117 T122 Q123 P369 V372 H373 | K115-E119 PolarHBondContact O-N 3.37Å; N117-E119 VanDerWaalsContact C-N 3.34Å; N117-E119 PolarHBondContact O-N 3.38Å; E119-T122 WeakPolarHBondContact O-CB 3.43Å; E119-T122 PolarHBondContact O-N 3.19Å; E119-Q123 WeakPolarHBondContact O-CB 3.26Å; E119-Q123 PolarHBondContact O-N 3.37Å; E119-P369 HydrophobicContact CB-CB 3.74Å; E119-P369 HydrophobicContact CG-CB 4.08Å; E119-V372 HydrophobicContact CG-CG1 4.36Å; E119-H373 WeakPolarHBondContact CG-NE2 3.42Å; E119-H373 IonicContact OE1-CD2 3.21Å; E119-H373 PolarHBondContact OE1-CD2 2.96Å; E119-H373 IonicContact OE1-CE1 3.22Å; E119-H373 IonicContact OE1-NE2 2.75Å; E119-H373 PolarHBondContact OE1-NE2 3.21Å |
| 120 | K | 98.4 | Very high | 97.4 | Very high | 63 Ų | 63 | 43 Ų | 43 | 27% | 0.274 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68 | -38 | -179.4 | -170.7 | 58.4 | 177.5 | 169.8 | 0 | 112.7 | W81 A116 N117 R118 T122 Q123 I124 | W81-K120 HydrophobicContact CD2-CB 4.2Å; W81-K120 HydrophobicContact CD2-CG 3.39Å; W81-K120 VanDerWaalsContact CE2-CG 3.48Å; W81-K120 HydrophobicContact CE3-CB 4.31Å; W81-K120 HydrophobicContact CE3-CG 3.63Å; W81-K120 HydrophobicContact CG-CG 3.9Å; W81-K120 HydrophobicContact CH2-CB 3.79Å; W81-K120 HydrophobicContact CH2-CG 4.03Å; W81-K120 HydrophobicContact CZ2-CB 3.67Å; W81-K120 HydrophobicContact CZ2-CG 3.83Å; W81-K120 HydrophobicContact CZ3-CB 4.09Å; W81-K120 HydrophobicContact CZ3-CG 3.91Å; A116-K120 WeakPolarHBondContact O-CB 3.27Å; A116-K120 PolarHBondContact O-N 2.92Å; N117-K120 PolarHBondContact O-N 2.83Å; R118-K120 VanDerWaalsContact C-N 3.34Å; R118-K120 PolarHBondContact O-N 3.49Å; K120-T122 VanDerWaalsContact C-N 3.32Å; K120-Q123 PolarHBondContact O-N 3.14Å; K120-I124 HydrophobicContact CD-CD1 4.27Å; K120-I124 HydrophobicContact CD-CG1 4.44Å; K120-I124 HydrophobicContact CG-CD1 4.05Å; K120-I124 WeakPolarHBondContact O-CD1 3.2Å; K120-I124 VanDerWaalsContact O-CG1 3.31Å; K120-I124 WeakPolarHBondContact O-CG1 3.34Å; K120-I124 PolarHBondContact O-N 2.88Å |
| 121 | M | 97.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.1 | -47.1 | 169.9 | -68.9 | -169.3 | -71.4 | 0 | 0 | 110.8 | I78 W81 W88 E109 N113 N117 R118 I124 M125 V136 | I78-M121 HydrophobicContact CD1-CG 4.12Å; I78-M121 HydrophobicContact CD1-SD 4.05Å; W81-M121 HydrophobicContact CH2-CG 3.64Å; W81-M121 HydrophobicContact CZ3-CB 4.49Å; W81-M121 HydrophobicContact CZ3-CG 3.69Å; W88-M121 HydrophobicContact CH2-CB 4.46Å; W88-M121 HydrophobicContact CH2-CG 3.99Å; W88-M121 HydrophobicContact CZ2-CG 4.46Å; E109-M121 HydrophobicContact CB-CE 4.35Å; N113-M121 WeakPolarHBondContact ND2-CE 3.22Å; N117-M121 WeakPolarHBondContact O-CG 3.35Å; N117-M121 PolarHBondContact O-N 2.85Å; R118-M121 PolarHBondContact O-N 3.28Å; M121-I124 PolarHBondContact O-N 2.77Å; M121-M125 WeakPolarHBondContact O-CG 3.12Å; M121-M125 PolarHBondContact O-N 2.86Å; M121-V136 HydrophobicContact CE-CG1 3.83Å; M121-V136 HydrophobicContact CE-CG2 4.31Å |
| 122 | T | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.4 | -46.5 | 179.7 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | R118 E119 K120 I124 M125 F126 M134 Y364 I371 V372 | R118-T122 PolarHBondContact O-N 3.34Å; R118-T122 PolarHBondContact O-OG1 2.94Å; R118-T122 VanDerWaalsContact O-OG1 3.09Å; E119-T122 WeakPolarHBondContact O-CB 3.43Å; E119-T122 PolarHBondContact O-N 3.19Å; K120-T122 VanDerWaalsContact C-N 3.32Å; T122-I124 PolarHBondContact O-N 3.19Å; T122-M125 PolarHBondContact O-N 2.89Å; T122-F126 HydrophobicContact CG2-CD2 3.79Å; T122-F126 HydrophobicContact CG2-CE2 3.91Å; T122-F126 WeakPolarHBondContact O-CD2 3.42Å; T122-F126 PolarHBondContact O-N 3.42Å; T122-F126 VanDerWaalsContact O-N 3.17Å; T122-M134 VanDerWaalsContact CA-SD 3.55Å; T122-M134 HydrophobicContact CG2-SD 3.95Å; T122-Y364 HydrophobicContact CG2-CD2 3.74Å; T122-Y364 HydrophobicContact CG2-CE2 3.91Å; T122-I371 HydrophobicContact CG2-CG2 4.34Å; T122-V372 WeakPolarHBondContact OG1-CB 3.4Å |
| 123 | Q | 98.4 | Very high | 97.9 | Very high | 59 Ų | 59 | 40.9 Ų | 40.9 | 28% | 0.276 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.2 | -51.2 | 177 | -171.6 | -170.2 | -3 | 0 | 0 | 111.3 | E119 K120 M125 F126 E127 P369 | E119-Q123 WeakPolarHBondContact O-CB 3.26Å; E119-Q123 PolarHBondContact O-N 3.37Å; K120-Q123 PolarHBondContact O-N 3.14Å; Q123-M125 PolarHBondContact O-N 3.09Å; Q123-F126 PolarHBondContact O-N 3.49Å; Q123-E127 HydrophobicContact CG-CG 4.12Å; Q123-E127 VanDerWaalsContact CG-OE2 3.22Å; Q123-E127 WeakPolarHBondContact CG-OE2 3.38Å; Q123-E127 PolarHBondContact NE2-OE2 3.04Å; Q123-E127 VanDerWaalsContact O-CB 3.23Å; Q123-E127 WeakPolarHBondContact O-CB 3.41Å; Q123-E127 WeakPolarHBondContact O-CG 3.38Å; Q123-E127 PolarHBondContact O-N 3.47Å; Q123-P369 HydrophobicContact CB-CG 4.13Å; Q123-P369 HydrophobicContact CG-CG 4.48Å |
| 124 | I | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | -177 | -70.8 | 165.8 | 0 | 0 | 0 | 111.4 | W81 E85 W88 K120 M121 T122 F126 T128 F129 | W81-I124 HydrophobicContact CB-CD1 4.48Å; W81-I124 HydrophobicContact CD2-CD1 4.27Å; W81-I124 HydrophobicContact CE3-CD1 3.45Å; W81-I124 VanDerWaalsContact CE3-CD1 3.45Å; W81-I124 HydrophobicContact CZ3-CD1 4.06Å; E85-I124 HydrophobicContact CG-CD1 3.84Å; E85-I124 HydrophobicContact CG-CG1 4.22Å; E85-I124 HydrophobicContact CG-CG2 3.71Å; E85-I124 WeakPolarHBondContact OE1-CD1 3.12Å; W88-I124 HydrophobicContact CE3-CG2 3.83Å; W88-I124 HydrophobicContact CZ3-CB 4.18Å; W88-I124 HydrophobicContact CZ3-CD1 3.96Å; W88-I124 HydrophobicContact CZ3-CG2 3.71Å; K120-I124 HydrophobicContact CD-CD1 4.27Å; K120-I124 HydrophobicContact CD-CG1 4.44Å; K120-I124 HydrophobicContact CG-CD1 4.05Å; K120-I124 WeakPolarHBondContact O-CD1 3.2Å; K120-I124 VanDerWaalsContact O-CG1 3.31Å; K120-I124 WeakPolarHBondContact O-CG1 3.34Å; K120-I124 PolarHBondContact O-N 2.88Å; M121-I124 PolarHBondContact O-N 2.77Å; T122-I124 PolarHBondContact O-N 3.19Å; I124-F126 VanDerWaalsContact C-N 3.33Å; I124-F126 PolarHBondContact O-N 3.39Å; I124-T128 WeakPolarHBondContact O-CA 3.26Å; I124-T128 WeakPolarHBondContact O-CB 3.27Å; I124-T128 PolarHBondContact O-N 3.28Å; I124-F129 HydrophobicContact CG2-CD2 3.8Å; I124-F129 HydrophobicContact CG2-CE2 3.65Å; I124-F129 PolarHBondContact O-N 3.02Å; I124-F129 VanDerWaalsContact O-N 3.11Å |
| 125 | M | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.1 | -41.6 | -178.8 | -73.8 | -67.9 | 147.7 | 0 | 0 | 111.8 | W88 F92 T105 L107 M121 T122 Q123 F129 N130 V131 M134 | W88-M125 HydrophobicContact CB-CE 4.12Å; W88-M125 HydrophobicContact CD2-CE 3.3Å; W88-M125 HydrophobicContact CE3-CE 3.51Å; W88-M125 HydrophobicContact CG-CE 3.6Å; W88-M125 HydrophobicContact CH2-CE 4.31Å; W88-M125 HydrophobicContact CZ2-CE 4.16Å; W88-M125 HydrophobicContact CZ3-CE 4.02Å; F92-M125 HydrophobicContact CE2-CE 4.12Å; F92-M125 HydrophobicContact CE2-SD 4.29Å; F92-M125 HydrophobicContact CZ-CE 4.11Å; F92-M125 HydrophobicContact CZ-SD 4.11Å; T105-M125 HydrophobicContact CG2-SD 4.44Å; L107-M125 HydrophobicContact CD1-CE 4.48Å; L107-M125 HydrophobicContact CD1-CG 3.76Å; L107-M125 HydrophobicContact CD1-SD 4.07Å; L107-M125 HydrophobicContact CD2-CE 3.6Å; L107-M125 HydrophobicContact CD2-CG 4.28Å; L107-M125 HydrophobicContact CD2-SD 4.28Å; L107-M125 HydrophobicContact CG-CE 4.49Å; M121-M125 WeakPolarHBondContact O-CG 3.12Å; M121-M125 PolarHBondContact O-N 2.86Å; T122-M125 PolarHBondContact O-N 2.89Å; Q123-M125 PolarHBondContact O-N 3.09Å; M125-F129 HydrophobicContact CE-CD2 4.04Å; M125-F129 HydrophobicContact CE-CE2 4.29Å; M125-F129 CarbonylContact O-C 3.45Å; M125-F129 HydrophobicContact SD-CD2 4.18Å; M125-N130 PolarHBondContact O-N 3.07Å; M125-V131 HydrophobicContact CB-CG2 3.88Å; M125-V131 WeakPolarHBondContact O-CG2 3.34Å; M125-V131 PolarHBondContact O-N 3.3Å; M125-V131 HydrophobicContact SD-CG1 4.25Å; M125-M134 HydrophobicContact CB-SD 3.63Å; M125-M134 HydrophobicContact CG-SD 4.2Å |
| 126 | F | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -84.8 | -33.1 | -179.6 | -77 | -59.7 | 0 | 0 | 0 | 115.4 | T122 Q123 I124 N130 V131 M134 I359 K361 Y364 | T122-F126 HydrophobicContact CG2-CD2 3.79Å; T122-F126 HydrophobicContact CG2-CE2 3.91Å; T122-F126 WeakPolarHBondContact O-CD2 3.42Å; T122-F126 PolarHBondContact O-N 3.42Å; T122-F126 VanDerWaalsContact O-N 3.17Å; Q123-F126 PolarHBondContact O-N 3.49Å; I124-F126 VanDerWaalsContact C-N 3.33Å; I124-F126 PolarHBondContact O-N 3.39Å; F126-N130 WeakPolarHBondContact O-CA 3.33Å; F126-N130 PolarHBondContact O-OD1 3.43Å; F126-V131 HydrophobicContact CD1-CG2 4.04Å; F126-V131 VanDerWaalsContact CD1-O 3.22Å; F126-V131 WeakPolarHBondContact CD1-O 3.24Å; F126-V131 HydrophobicContact CE1-CG2 4.13Å; F126-V131 WeakPolarHBondContact CE1-O 3.44Å; F126-M134 HydrophobicContact CD2-CG 4.24Å; F126-M134 HydrophobicContact CD2-SD 4.02Å; F126-M134 HydrophobicContact CE1-CG 4.48Å; F126-M134 HydrophobicContact CE2-CG 3.47Å; F126-M134 VanDerWaalsContact CE2-CG 3.47Å; F126-M134 HydrophobicContact CE2-SD 3.78Å; F126-M134 HydrophobicContact CZ-CG 3.64Å; F126-M134 HydrophobicContact CZ-SD 4.47Å; F126-I359 HydrophobicContact CE2-CB 4.49Å; F126-I359 HydrophobicContact CE2-CG2 3.84Å; F126-I359 HydrophobicContact CZ-CB 4.36Å; F126-I359 HydrophobicContact CZ-CG2 3.9Å; F126-I359 WeakPolarHBondContact CZ-O 3.36Å; F126-K361 HydrophobicContact CB-CD 4.31Å; F126-K361 HydrophobicContact CD1-CB 4.25Å; F126-K361 HydrophobicContact CD1-CD 3.55Å; F126-K361 HydrophobicContact CE1-CB 4.05Å; F126-K361 HydrophobicContact CE1-CD 4.21Å; F126-K361 HydrophobicContact CG-CD 4.25Å; F126-K361 PolarHBondContact O-NZ 3.31Å; F126-Y364 HydrophobicContact CB-CD1 3.65Å; F126-Y364 HydrophobicContact CB-CD2 4.27Å; F126-Y364 HydrophobicContact CB-CE1 3.73Å; F126-Y364 HydrophobicContact CB-CE2 4.31Å; F126-Y364 HydrophobicContact CB-CG 3.93Å; F126-Y364 HydrophobicContact CD1-CG 4.46Å; F126-Y364 AromaticContact CD2-CD1 3.98Å; F126-Y364 HydrophobicContact CD2-CD1 3.98Å; F126-Y364 AromaticContact CD2-CD2 3.33Å; F126-Y364 HydrophobicContact CD2-CD2 3.33Å; F126-Y364 AromaticContact CD2-CE2 3.96Å; F126-Y364 HydrophobicContact CD2-CE2 3.96Å; F126-Y364 AromaticContact CD2-CG 3.32Å; F126-Y364 HydrophobicContact CD2-CG 3.32Å; F126-Y364 AromaticContact CE2-CD2 3.88Å; F126-Y364 HydrophobicContact CE2-CD2 3.88Å; F126-Y364 AromaticContact CE2-CG 3.83Å; F126-Y364 HydrophobicContact CE2-CG 3.83Å; F126-Y364 AromaticContact CG-CD1 3.86Å; F126-Y364 HydrophobicContact CG-CD1 3.86Å; F126-Y364 HydrophobicContact CG-CD2 4.06Å; F126-Y364 HydrophobicContact CG-CE1 4.4Å; F126-Y364 AromaticContact CG-CG 3.67Å; F126-Y364 HydrophobicContact CG-CG 3.67Å |
| 127 | E | 98.5 | Very high | 98.2 | Very high | 100 Ų | 100 | 28.5 Ų | 28.5 | 47% | 0.467 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -95 | -39.4 | -175 | -64 | -177.6 | -177.1 | 0 | 0 | 112.5 | Q123 Y364 | Q123-E127 HydrophobicContact CG-CG 4.12Å; Q123-E127 VanDerWaalsContact CG-OE2 3.22Å; Q123-E127 WeakPolarHBondContact CG-OE2 3.38Å; Q123-E127 PolarHBondContact NE2-OE2 3.04Å; Q123-E127 VanDerWaalsContact O-CB 3.23Å; Q123-E127 WeakPolarHBondContact O-CB 3.41Å; Q123-E127 WeakPolarHBondContact O-CG 3.38Å; Q123-E127 PolarHBondContact O-N 3.47Å; E127-Y364 VanDerWaalsContact CD-OH 3.29Å; E127-Y364 HydrophobicContact CG-CE1 4.1Å; E127-Y364 WeakPolarHBondContact CG-OH 3.4Å; E127-Y364 PolarHBondContact OE1-OH 2.78Å |
| 128 | T | 98.4 | Very high | 98.1 | Very high | 70 Ų | 70 | 28.3 Ų | 28.3 | 43% | 0.429 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -50.4 | 179.8 | -53.4 | 0 | 0 | 0 | 0 | 110.9 | I124 | I124-T128 WeakPolarHBondContact O-CA 3.26Å; I124-T128 WeakPolarHBondContact O-CB 3.27Å; I124-T128 PolarHBondContact O-N 3.28Å |
| 129 | F | 98.5 | Very high | 98.1 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -94.7 | -6.7 | -175.1 | -65.8 | -68.8 | 0 | 0 | 0 | 114.3 | W88 H89 F92 Y93 P100 I124 M125 V131 | W88-F129 HydrophobicContact CB-CE2 3.7Å; W88-F129 HydrophobicContact CB-CZ 3.65Å; W88-F129 HydrophobicContact CE3-CE2 4.07Å; H89-F129 HydrophobicContact CB-CE1 4.08Å; H89-F129 HydrophobicContact CB-CZ 4.21Å; F92-F129 AromaticContact CD2-CD1 3.75Å; F92-F129 HydrophobicContact CD2-CD1 3.75Å; F92-F129 AromaticContact CD2-CE1 3.88Å; F92-F129 HydrophobicContact CD2-CE1 3.88Å; F92-F129 HydrophobicContact CD2-CG 4.21Å; F92-F129 HydrophobicContact CD2-CZ 4.45Å; F92-F129 HydrophobicContact CE2-CB 4.43Å; F92-F129 AromaticContact CE2-CD1 3.91Å; F92-F129 HydrophobicContact CE2-CD1 3.91Å; F92-F129 HydrophobicContact CE2-CD2 4.14Å; F92-F129 HydrophobicContact CE2-CE1 4.18Å; F92-F129 HydrophobicContact CE2-CE2 4.41Å; F92-F129 AromaticContact CE2-CG 3.89Å; F92-F129 HydrophobicContact CE2-CG 3.89Å; F92-F129 HydrophobicContact CE2-CZ 4.42Å; Y93-F129 HydrophobicContact CE2-CE1 4.42Å; P100-F129 HydrophobicContact CB-CB 4.16Å; P100-F129 HydrophobicContact CG-CB 4.07Å; P100-F129 HydrophobicContact CG-CD1 3.96Å; P100-F129 HydrophobicContact CG-CG 4.46Å; I124-F129 HydrophobicContact CG2-CD2 3.8Å; I124-F129 HydrophobicContact CG2-CE2 3.65Å; I124-F129 PolarHBondContact O-N 3.02Å; I124-F129 VanDerWaalsContact O-N 3.11Å; M125-F129 HydrophobicContact CE-CD2 4.04Å; M125-F129 HydrophobicContact CE-CE2 4.29Å; M125-F129 CarbonylContact O-C 3.45Å; M125-F129 HydrophobicContact SD-CD2 4.18Å; F129-V131 HydrophobicContact CB-CG1 4.14Å; F129-V131 PolarHBondContact O-N 3.13Å; F129-V131 VanDerWaalsContact O-N 3.1Å |
| 130 | N | 98.2 | Very high | 98.1 | Very high | 90 Ų | 90 | 24.7 Ų | 24.7 | 48% | 0.481 | 13% | 0.129 | S | C | . | . | trans | 50.7 | 33.8 | 177.7 | -61.4 | -66.5 | 0 | 0 | 0 | 114.2 | E101 M125 F126 | E101-N130 WeakPolarHBondContact CA-O 3.36Å; E101-N130 HydrophobicContact CB-CB 4.19Å; M125-N130 PolarHBondContact O-N 3.07Å; F126-N130 WeakPolarHBondContact O-CA 3.33Å; F126-N130 PolarHBondContact O-OD1 3.43Å | ||
| 131 | V | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -59.4 | 140.4 | 179.5 | -56.3 | 0 | 0 | 0 | 0 | 110.1 | P100 M125 F126 F129 A133 M134 | P100-V131 HydrophobicContact CB-CG1 4.16Å; M125-V131 HydrophobicContact CB-CG2 3.88Å; M125-V131 WeakPolarHBondContact O-CG2 3.34Å; M125-V131 PolarHBondContact O-N 3.3Å; M125-V131 HydrophobicContact SD-CG1 4.25Å; F126-V131 HydrophobicContact CD1-CG2 4.04Å; F126-V131 VanDerWaalsContact CD1-O 3.22Å; F126-V131 WeakPolarHBondContact CD1-O 3.24Å; F126-V131 HydrophobicContact CE1-CG2 4.13Å; F126-V131 WeakPolarHBondContact CE1-O 3.44Å; F129-V131 HydrophobicContact CB-CG1 4.14Å; F129-V131 PolarHBondContact O-N 3.13Å; F129-V131 VanDerWaalsContact O-N 3.1Å; V131-A133 VanDerWaalsContact C-N 3.27Å; V131-A133 PolarHBondContact O-N 3.35Å; V131-M134 HydrophobicContact CG2-CB 4.05Å | ||
| 132 | P | 97.7 | Very high | 98.1 | Very high | 48 Ų | 48 | 22.2 Ų | 22.2 | 31% | 0.312 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -69.7 | -29.8 | -177.5 | 27.2 | -34.6 | 0 | 0 | 0 | 112 | E101 H103 P104 K361 | E101-P132 WeakPolarHBondContact O-CD 3.35Å; H103-P132 WeakPolarHBondContact O-CD 3.49Å; P104-P132 HydrophobicContact CG-CG 4.35Å; P132-K361 PolarHBondContact O-N 3.47Å |
| 133 | A | 97.9 | Very high | 98.1 | Very high | 12 Ų | 12 | 22.2 Ų | 22.2 | 10% | 0.099 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 155.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | P104 T105 V131 W358 I359 | P104-A133 CarbonylContact C-O 3.5Å; P104-A133 VanDerWaalsContact CA-O 3.26Å; P104-A133 WeakPolarHBondContact CA-O 3.45Å; P104-A133 HydrophobicContact CB-CB 4.09Å; P104-A133 HydrophobicContact CG-CB 4.44Å; T105-A133 PolarHBondContact N-O 2.73Å; V131-A133 VanDerWaalsContact C-N 3.27Å; V131-A133 PolarHBondContact O-N 3.35Å; A133-W358 HydrophobicContact CB-CB 4.09Å; A133-W358 HydrophobicContact CB-CG 4.38Å; A133-I359 CarbonylContact C-O 3.56Å; A133-I359 WeakPolarHBondContact CA-O 3.29Å; A133-I359 WeakPolarHBondContact CB-O 3.48Å |
| 134 | M | 98 | Very high | 98 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 164.1 | 174.2 | 67.2 | 164.1 | -72 | 0 | 0 | 113.8 | T105 L107 T122 M125 F126 V131 V136 I359 | T105-M134 WeakPolarHBondContact O-CA 3.21Å; T105-M134 VanDerWaalsContact O-CB 3.28Å; T105-M134 WeakPolarHBondContact O-CB 3.33Å; L107-M134 HydrophobicContact CD1-CE 3.8Å; T122-M134 VanDerWaalsContact CA-SD 3.55Å; T122-M134 HydrophobicContact CG2-SD 3.95Å; M125-M134 HydrophobicContact CB-SD 3.63Å; M125-M134 HydrophobicContact CG-SD 4.2Å; F126-M134 HydrophobicContact CD2-CG 4.24Å; F126-M134 HydrophobicContact CD2-SD 4.02Å; F126-M134 HydrophobicContact CE1-CG 4.48Å; F126-M134 HydrophobicContact CE2-CG 3.47Å; F126-M134 VanDerWaalsContact CE2-CG 3.47Å; F126-M134 HydrophobicContact CE2-SD 3.78Å; F126-M134 HydrophobicContact CZ-CG 3.64Å; F126-M134 HydrophobicContact CZ-SD 4.47Å; V131-M134 HydrophobicContact CG2-CB 4.05Å; M134-V136 HydrophobicContact CE-CG2 3.5Å; M134-V136 VanDerWaalsContact CE-CG2 3.5Å; M134-I359 PolarHBondContact N-O 3.32Å; M134-I359 WeakPolarHBondContact O-CB 3.17Å; M134-I359 PolarHBondContact O-N 3.06Å |
| 135 | Y | 98.2 | Very high | 97.9 | Very high | 21 Ų | 21 | 22.1 Ų | 22.1 | 8% | 0.082 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 148.6 | 173.3 | -166.1 | -95.9 | 0 | 0 | 0 | 109.9 | T105 L106 L107 A137 F354 M357 K375 C376 | T105-Y135 PolarHBondContact O-N 2.98Å; T105-Y135 VanDerWaalsContact O-N 3.09Å; L106-Y135 CarbonylContact C-O 3.53Å; L106-Y135 WeakPolarHBondContact CA-O 3.37Å; L106-Y135 HydrophobicContact CD1-CD1 4.37Å; L107-Y135 PolarHBondContact N-O 3.01Å; Y135-A137 HydrophobicContact CD1-CB 4.04Å; Y135-A137 HydrophobicContact CE1-CB 3.95Å; Y135-F354 HydrophobicContact CD1-CE2 4.1Å; Y135-F354 AromaticContact CD1-CZ 3.62Å; Y135-F354 HydrophobicContact CD1-CZ 3.62Å; Y135-F354 HydrophobicContact CD2-CE2 4.28Å; Y135-F354 AromaticContact CD2-CZ 3.91Å; Y135-F354 HydrophobicContact CD2-CZ 3.91Å; Y135-F354 HydrophobicContact CE1-CE2 4.06Å; Y135-F354 HydrophobicContact CE1-CZ 4.06Å; Y135-F354 HydrophobicContact CE2-CE2 4.24Å; Y135-F354 HydrophobicContact CE2-CZ 4.33Å; Y135-F354 HydrophobicContact CG-CE1 4.49Å; Y135-F354 HydrophobicContact CG-CE2 4.21Å; Y135-F354 AromaticContact CG-CZ 3.53Å; Y135-F354 HydrophobicContact CG-CZ 3.53Å; Y135-M357 HydrophobicContact CD2-CB 4.46Å; Y135-M357 WeakPolarHBondContact CD2-O 3.22Å; Y135-M357 HydrophobicContact CE2-CB 4.12Å; Y135-M357 HydrophobicContact CE2-CE 4.47Å; Y135-K375 WeakPolarHBondContact CE2-O 3.28Å; Y135-K375 PolarHBondContact OH-O 2.69Å; Y135-C376 VanDerWaalsContact CD2-SG 3.51Å; Y135-C376 HydrophobicContact CE2-CB 4.34Å; Y135-C376 VanDerWaalsContact CE2-SG 3.54Å |
| 136 | V | 98 | Very high | 97.8 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 125.2 | 173.1 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | L107 E109 M121 M134 V372 C376 | L107-V136 CarbonylContact O-C 3.4Å; L107-V136 WeakPolarHBondContact O-CA 3.43Å; E109-V136 HydrophobicContact CB-CG1 3.94Å; E109-V136 HydrophobicContact CG-CG1 3.66Å; E109-V136 WeakPolarHBondContact OE2-CG1 3.48Å; M121-V136 HydrophobicContact CE-CG1 3.83Å; M121-V136 HydrophobicContact CE-CG2 4.31Å; M134-V136 HydrophobicContact CE-CG2 3.5Å; M134-V136 VanDerWaalsContact CE-CG2 3.5Å; V136-V372 HydrophobicContact CB-CG2 4.36Å; V136-V372 HydrophobicContact CG2-CG2 4.06Å; V136-C376 HydrophobicContact CB-CB 4.39Å; V136-C376 PolarHBondContact N-SG 3.46Å; V136-C376 VanDerWaalsContact N-SG 3.36Å; V136-C376 VanDerWaalsContact O-CB 3.31Å; V136-C376 WeakPolarHBondContact O-CB 3.25Å |
| 137 | A | 97.3 | Very high | 97.6 | Very high | 8 Ų | 8 | 24.3 Ų | 24.3 | 7% | 0.066 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 144.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L106 L107 T108 E109 Y135 Q139 L142 | L106-A137 HydrophobicContact CD2-CB 4.37Å; L107-A137 PolarHBondContact O-N 3.38Å; T108-A137 CarbonylContact C-O 3.19Å; T108-A137 VanDerWaalsContact CA-O 3.25Å; T108-A137 WeakPolarHBondContact CA-O 3.44Å; E109-A137 PolarHBondContact N-O 3.31Å; Y135-A137 HydrophobicContact CD1-CB 4.04Å; Y135-A137 HydrophobicContact CE1-CB 3.95Å; A137-Q139 PolarHBondContact O-N 3.46Å; A137-L142 HydrophobicContact CB-CD1 3.9Å; A137-L142 HydrophobicContact CB-CD2 3.78Å; A137-L142 HydrophobicContact CB-CG 3.89Å |
| 138 | I | 97.2 | Very high | 97.4 | Very high | 18 Ų | 18 | 23 Ų | 23 | 9% | 0.092 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 128.2 | 177.2 | -63 | 167.7 | 0 | 0 | 0 | 109.8 | E109 P111 A140 V141 L142 A172 | E109-I138 HydrophobicContact CG-CG1 4.4Å; E109-I138 WeakPolarHBondContact O-CA 3.46Å; P111-I138 HydrophobicContact CB-CG2 4.17Å; I138-A140 VanDerWaalsContact C-N 3.28Å; I138-A140 HydrophobicContact CG2-CB 4.25Å; I138-A140 PolarHBondContact O-N 2.89Å; I138-V141 HydrophobicContact CB-CB 4.32Å; I138-V141 HydrophobicContact CB-CG2 3.94Å; I138-V141 HydrophobicContact CG2-CG2 4.25Å; I138-V141 WeakPolarHBondContact O-CB 3.32Å; I138-V141 PolarHBondContact O-N 3.42Å; I138-L142 PolarHBondContact O-N 3.06Å; I138-L142 VanDerWaalsContact O-N 3.15Å; I138-A172 HydrophobicContact CD1-CB 4.1Å |
| 139 | Q | 98.1 | Very high | 97.3 | Very high | 18 Ų | 18 | 22.7 Ų | 22.7 | 8% | 0.084 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -52.4 | -42.9 | -177.5 | -71 | 175.5 | -40.4 | 0 | 0 | 113.4 | D13 E109 A137 L142 S143 V341 | D13-Q139 PolarHBondContact OD1-NE2 2.8Å; E109-Q139 WeakPolarHBondContact O-CG 3.27Å; E109-Q139 PolarHBondContact O-N 2.91Å; A137-Q139 PolarHBondContact O-N 3.46Å; Q139-L142 PolarHBondContact O-N 3.2Å; Q139-S143 WeakPolarHBondContact O-CB 3.28Å; Q139-S143 PolarHBondContact O-N 3.07Å; Q139-S143 PolarHBondContact O-OG 2.94Å; Q139-V341 HydrophobicContact CB-CG1 3.93Å; Q139-V341 HydrophobicContact CB-CG2 3.9Å; Q139-V341 HydrophobicContact CG-CG1 3.79Å; Q139-V341 HydrophobicContact CG-CG2 4.42Å |
| 140 | A | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.6 | -38.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | I138 S143 L144 V154 V165 I167 | I138-A140 VanDerWaalsContact C-N 3.28Å; I138-A140 HydrophobicContact CG2-CB 4.25Å; I138-A140 PolarHBondContact O-N 2.89Å; A140-S143 WeakPolarHBondContact O-CB 3.47Å; A140-S143 PolarHBondContact O-N 2.94Å; A140-L144 PolarHBondContact O-N 2.69Å; A140-V154 HydrophobicContact CB-CB 4.03Å; A140-V154 HydrophobicContact CB-CG1 4.1Å; A140-V154 WeakPolarHBondContact O-CG2 3.23Å; A140-V165 HydrophobicContact CB-CB 3.56Å; A140-V165 HydrophobicContact CB-CG1 3.97Å; A140-V165 HydrophobicContact CB-CG2 3.51Å; A140-I167 HydrophobicContact CB-CD1 4.49Å |
| 141 | V | 97.4 | Very high | 97.2 | Very high | 13 Ų | 13 | 23 Ų | 23 | 8% | 0.079 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64 | -45.2 | 177.7 | 176.3 | 0 | 0 | 0 | 0 | 110.3 | I138 S143 L144 Y145 I167 A172 | I138-V141 HydrophobicContact CB-CB 4.32Å; I138-V141 HydrophobicContact CB-CG2 3.94Å; I138-V141 HydrophobicContact CG2-CG2 4.25Å; I138-V141 WeakPolarHBondContact O-CB 3.32Å; I138-V141 PolarHBondContact O-N 3.42Å; V141-S143 VanDerWaalsContact C-N 3.34Å; V141-S143 PolarHBondContact O-N 2.96Å; V141-L144 WeakPolarHBondContact O-CB 3.46Å; V141-L144 PolarHBondContact O-N 2.67Å; V141-Y145 HydrophobicContact CG1-CD2 4.39Å; V141-Y145 HydrophobicContact CG1-CE1 4.35Å; V141-Y145 HydrophobicContact CG1-CE2 3.76Å; V141-Y145 PolarHBondContact O-N 2.87Å; V141-Y145 VanDerWaalsContact O-N 3.11Å; V141-I167 HydrophobicContact CB-CD1 4.44Å; V141-I167 HydrophobicContact CG2-CD1 3.99Å; V141-I167 HydrophobicContact CG2-CG1 4.12Å; V141-A172 HydrophobicContact CG2-CB 4.05Å |
| 142 | L | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.3 | -43.6 | 174.7 | -60.7 | -177.7 | 0 | 0 | 0 | 111.7 | L106 T108 A137 I138 Q139 L144 Y145 A146 V341 G344 L348 | L106-L142 HydrophobicContact CD2-CD1 4.03Å; T108-L142 HydrophobicContact CG2-CD1 3.52Å; A137-L142 HydrophobicContact CB-CD1 3.9Å; A137-L142 HydrophobicContact CB-CD2 3.78Å; A137-L142 HydrophobicContact CB-CG 3.89Å; I138-L142 PolarHBondContact O-N 3.06Å; I138-L142 VanDerWaalsContact O-N 3.15Å; Q139-L142 PolarHBondContact O-N 3.2Å; L142-L144 PolarHBondContact O-N 3.2Å; L142-Y145 HydrophobicContact CD2-CD2 4.31Å; L142-Y145 WeakPolarHBondContact O-CA 3.28Å; L142-Y145 WeakPolarHBondContact O-CB 3.35Å; L142-Y145 PolarHBondContact O-N 3.15Å; L142-A146 PolarHBondContact O-N 3.16Å; L142-V341 WeakPolarHBondContact CB-O 3.37Å; L142-V341 HydrophobicContact CD1-CG1 4.31Å; L142-G344 VanDerWaalsContact O-CA 3.23Å; L142-G344 WeakPolarHBondContact O-CA 3.39Å; L142-L348 HydrophobicContact CD2-CB 4.27Å; L142-L348 HydrophobicContact CD2-CD2 3.61Å |
| 143 | S | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59 | -35.3 | 177 | -61.6 | 0 | 0 | 0 | 0 | 112.7 | Q139 A140 V141 S302 V341 | Q139-S143 WeakPolarHBondContact O-CB 3.28Å; Q139-S143 PolarHBondContact O-N 3.07Å; Q139-S143 PolarHBondContact O-OG 2.94Å; A140-S143 WeakPolarHBondContact O-CB 3.47Å; A140-S143 PolarHBondContact O-N 2.94Å; V141-S143 VanDerWaalsContact C-N 3.34Å; V141-S143 PolarHBondContact O-N 2.96Å; S143-S302 WeakPolarHBondContact CB-OG 3.5Å; S143-S302 WeakPolarHBondContact OG-CB 3.42Å; S143-S302 PolarHBondContact OG-OG 3.49Å; S143-V341 WeakPolarHBondContact OG-CG2 3.35Å |
| 144 | L | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.1 | -43.3 | 174.2 | -168.5 | 67.8 | 0 | 0 | 0 | 111.4 | A140 V141 L142 A146 S147 R149 V154 I167 V300 | A140-L144 PolarHBondContact O-N 2.69Å; V141-L144 WeakPolarHBondContact O-CB 3.46Å; V141-L144 PolarHBondContact O-N 2.67Å; L142-L144 PolarHBondContact O-N 3.2Å; L144-A146 VanDerWaalsContact C-N 3.33Å; L144-A146 PolarHBondContact O-N 3.14Å; L144-S147 WeakPolarHBondContact O-CA 3.46Å; L144-S147 WeakPolarHBondContact O-CB 3.31Å; L144-S147 PolarHBondContact O-N 3.09Å; L144-S147 PolarHBondContact O-OG 2.85Å; L144-R149 CarbonylContact C-O 3.52Å; L144-R149 HydrophobicContact CD1-CB 3.8Å; L144-R149 HydrophobicContact CG-CB 3.9Å; L144-R149 WeakPolarHBondContact CG-O 3.42Å; L144-R149 PolarHBondContact O-N 3.48Å; L144-V154 HydrophobicContact CB-CG2 3.88Å; L144-V154 HydrophobicContact CD1-CG2 4.05Å; L144-V154 HydrophobicContact CG-CG2 4.49Å; L144-I167 HydrophobicContact CB-CD1 4.01Å; L144-I167 HydrophobicContact CD2-CB 3.7Å; L144-I167 HydrophobicContact CD2-CD1 3.84Å; L144-I167 HydrophobicContact CD2-CG1 4.4Å; L144-I167 HydrophobicContact CD2-CG2 3.58Å; L144-V300 HydrophobicContact CD1-CG2 3.77Å |
| 145 | Y | 95.6 | Very high | 97.3 | Very high | 58 Ų | 58 | 20.4 Ų | 20.4 | 23% | 0.227 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.6 | -39.4 | 175.3 | -65.7 | -22.1 | 0 | 0 | 0 | 112.7 | V141 L142 S147 G148 R149 T150 L348 | V141-Y145 HydrophobicContact CG1-CD2 4.39Å; V141-Y145 HydrophobicContact CG1-CE1 4.35Å; V141-Y145 HydrophobicContact CG1-CE2 3.76Å; V141-Y145 PolarHBondContact O-N 2.87Å; V141-Y145 VanDerWaalsContact O-N 3.11Å; L142-Y145 HydrophobicContact CD2-CD2 4.31Å; L142-Y145 WeakPolarHBondContact O-CA 3.28Å; L142-Y145 WeakPolarHBondContact O-CB 3.35Å; L142-Y145 PolarHBondContact O-N 3.15Å; Y145-S147 PolarHBondContact O-N 2.65Å; Y145-S147 VanDerWaalsContact O-N 3.14Å; Y145-G148 WeakPolarHBondContact O-CA 3.14Å; Y145-G148 PolarHBondContact O-N 3.17Å; Y145-R149 WeakPolarHBondContact CD1-O 3.44Å; Y145-T150 HydrophobicContact CE1-CG2 4.27Å; Y145-L348 HydrophobicContact CD2-CB 4.42Å; Y145-L348 HydrophobicContact CD2-CD1 4.26Å; Y145-L348 HydrophobicContact CD2-CD2 4.45Å; Y145-L348 HydrophobicContact CE2-CD1 3.93Å; Y145-L348 HydrophobicContact CE2-CD2 4.2Å |
| 146 | A | 96.5 | Very high | 97.3 | Very high | 24 Ų | 24 | 19.9 Ų | 19.9 | 20% | 0.198 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.6 | -26.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | L142 L144 G148 S340 I343 | L142-A146 PolarHBondContact O-N 3.16Å; L144-A146 VanDerWaalsContact C-N 3.33Å; L144-A146 PolarHBondContact O-N 3.14Å; A146-G148 VanDerWaalsContact C-N 3.32Å; A146-S340 VanDerWaalsContact CB-O 3.26Å; A146-S340 WeakPolarHBondContact CB-O 3.36Å; A146-I343 HydrophobicContact CB-CB 4.13Å; A146-I343 HydrophobicContact CB-CG2 3.92Å |
| 147 | S | 95.3 | Very high | 97.4 | Very high | 23 Ų | 23 | 19.9 Ų | 19.9 | 16% | 0.161 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -0.9 | 175.1 | 85.6 | 0 | 0 | 0 | 0 | 114 | L144 Y145 R149 | L144-S147 WeakPolarHBondContact O-CA 3.46Å; L144-S147 WeakPolarHBondContact O-CB 3.31Å; L144-S147 PolarHBondContact O-N 3.09Å; L144-S147 PolarHBondContact O-OG 2.85Å; Y145-S147 PolarHBondContact O-N 2.65Å; Y145-S147 VanDerWaalsContact O-N 3.14Å; S147-R149 PolarHBondContact O-NH1 3.15Å; S147-R149 WeakPolarHBondContact OG-CD 3.47Å; S147-R149 PolarHBondContact OG-NH1 2.96Å |
| 148 | G | 94.6 | Very high | 97.4 | Very high | 71 Ų | 71 | 20.6 Ų | 20.6 | 73% | 0.732 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73 | 33.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y145 A146 | Y145-G148 WeakPolarHBondContact O-CA 3.14Å; Y145-G148 PolarHBondContact O-N 3.17Å; A146-G148 VanDerWaalsContact C-N 3.32Å |
| 149 | R | 95.9 | Very high | 97.4 | Very high | 65 Ų | 65 | 21.7 Ų | 21.7 | 25% | 0.245 | 14% | 0.138 | C | C | . | . | trans | -129 | 152.4 | -176.8 | -68.5 | 174.9 | 177.9 | 65.3 | 16.6 | 111.5 | L144 Y145 S147 N298 I332 | L144-R149 CarbonylContact C-O 3.52Å; L144-R149 HydrophobicContact CD1-CB 3.8Å; L144-R149 HydrophobicContact CG-CB 3.9Å; L144-R149 WeakPolarHBondContact CG-O 3.42Å; L144-R149 PolarHBondContact O-N 3.48Å; Y145-R149 WeakPolarHBondContact CD1-O 3.44Å; S147-R149 PolarHBondContact O-NH1 3.15Å; S147-R149 WeakPolarHBondContact OG-CD 3.47Å; S147-R149 PolarHBondContact OG-NH1 2.96Å; R149-N298 WeakPolarHBondContact CD-OD1 3.42Å; R149-N298 PolarHBondContact NE-OD1 3.45Å; R149-I332 VanDerWaalsContact CZ-CD1 3.46Å; R149-I332 VanDerWaalsContact NE-CD1 3.33Å | ||
| 150 | T | 95.4 | Very high | 97.3 | Very high | 78 Ų | 78 | 21 Ų | 21 | 48% | 0.479 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -115.7 | -15.2 | 172.2 | 54.9 | 0 | 0 | 0 | 0 | 112.7 | Y145 E169 G170 | Y145-T150 HydrophobicContact CE1-CG2 4.27Å; T150-E169 PolarHBondContact O-N 3.4Å; T150-E169 VanDerWaalsContact O-N 3.13Å; T150-G170 PolarHBondContact O-N 3.45Å |
| 151 | T | 98.1 | Very high | 97.3 | Very high | 23 Ų | 23 | 21.4 Ų | 21.4 | 14% | 0.141 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -127.1 | 133.6 | 175.8 | -62 | 0 | 0 | 0 | 0 | 110.1 | I167 Y168 E169 D294 L295 | T151-I167 WeakPolarHBondContact CA-O 3.08Å; T151-Y168 HydrophobicContact CG2-CD2 3.73Å; T151-Y168 HydrophobicContact CG2-CE2 4.33Å; T151-E169 PolarHBondContact OG1-N 3.34Å; T151-D294 HydrophobicContact CG2-CB 3.86Å; T151-L295 HydrophobicContact CG2-CD2 4.46Å |
| 152 | G | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.7 | 179.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I167 L295 N298 | G152-I167 PolarHBondContact N-O 2.93Å; G152-I167 PolarHBondContact O-N 3.33Å; G152-L295 VanDerWaalsContact C-CD2 3.45Å; G152-L295 WeakPolarHBondContact O-CD2 3.49Å; G152-N298 WeakPolarHBondContact CA-O 3.23Å |
| 153 | I | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 137.9 | 169.9 | -176.6 | 163.8 | 0 | 0 | 0 | 109.1 | N164 V165 P166 I284 N298 N299 V300 | I153-N164 HydrophobicContact CD1-CB 4.15Å; I153-V165 WeakPolarHBondContact CA-O 3.5Å; I153-P166 HydrophobicContact CD1-CB 4.47Å; I153-I284 HydrophobicContact CD1-CD1 4.49Å; I153-I284 HydrophobicContact CD1-CG1 3.9Å; I153-I284 HydrophobicContact CG2-CD1 4.16Å; I153-I284 HydrophobicContact CG2-CG1 4.45Å; I153-N298 PolarHBondContact N-O 3.14Å; I153-N299 HydrophobicContact CG2-CB 4.12Å; I153-N299 VanDerWaalsContact CG2-CG 3.49Å; I153-N299 WeakPolarHBondContact CG2-OD1 3.31Å; I153-N299 CarbonylContact O-C 3.54Å; I153-N299 WeakPolarHBondContact O-CA 3.26Å; I153-V300 PolarHBondContact O-N 3.03Å |
| 154 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 122.7 | 178.4 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | A140 L144 D156 N164 V165 I167 V300 | A140-V154 HydrophobicContact CB-CB 4.03Å; A140-V154 HydrophobicContact CB-CG1 4.1Å; A140-V154 WeakPolarHBondContact O-CG2 3.23Å; L144-V154 HydrophobicContact CB-CG2 3.88Å; L144-V154 HydrophobicContact CD1-CG2 4.05Å; L144-V154 HydrophobicContact CG-CG2 4.49Å; V154-D156 HydrophobicContact CG1-CB 4.24Å; V154-N164 WeakPolarHBondContact O-CA 3.49Å; V154-V165 PolarHBondContact N-O 3.01Å; V154-V165 PolarHBondContact O-N 3.35Å; V154-I167 HydrophobicContact CG2-CD1 3.87Å; V154-V300 CarbonylContact C-O 3.57Å; V154-V300 VanDerWaalsContact CA-O 3.31Å; V154-V300 WeakPolarHBondContact CA-O 3.33Å; V154-V300 HydrophobicContact CG2-CB 4.23Å |
| 155 | L | 98.8 | Very high | 97.5 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 99.7 | 159.9 | 178.6 | 73.5 | 0 | 0 | 0 | 107.4 | T162 H163 N164 I276 V300 L301 S302 T306 M315 | L155-T162 HydrophobicContact CD1-CG2 3.6Å; L155-H163 CarbonylContact C-O 3.51Å; L155-H163 WeakPolarHBondContact CA-O 3.3Å; L155-N164 WeakPolarHBondContact CD1-ND2 3.19Å; L155-N164 WeakPolarHBondContact CD1-OD1 3.3Å; L155-I276 HydrophobicContact CD1-CB 4.07Å; L155-I276 HydrophobicContact CD1-CG2 4.22Å; L155-I276 HydrophobicContact CD2-CB 4.34Å; L155-I276 HydrophobicContact CD2-CD1 3.85Å; L155-V300 PolarHBondContact N-O 2.85Å; L155-L301 HydrophobicContact CB-CD2 3.93Å; L155-L301 HydrophobicContact CD2-CD2 3.95Å; L155-S302 PolarHBondContact O-N 2.83Å; L155-T306 HydrophobicContact CD2-CG2 4.15Å; L155-T306 HydrophobicContact CG-CG2 4.43Å; L155-M315 HydrophobicContact CD2-CE 4.15Å |
| 156 | D | 98.5 | Very high | 97.6 | Very high | 11 Ų | 11 | 18.3 Ų | 18.3 | 6% | 0.059 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 114.6 | 172.2 | -165.9 | -40.2 | 0 | 0 | 0 | 108.8 | V154 T162 H163 S302 | V154-D156 HydrophobicContact CG1-CB 4.24Å; D156-T162 CarbonylContact O-C 3.53Å; D156-T162 VanDerWaalsContact O-CA 3.31Å; D156-T162 WeakPolarHBondContact O-CA 3.38Å; D156-H163 PolarHBondContact N-O 3.01Å; D156-H163 PolarHBondContact O-N 3.47Å; D156-S302 WeakPolarHBondContact CA-O 3.29Å |
| 157 | S | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.014 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 104.5 | 178.2 | -169.4 | 0 | 0 | 0 | 0 | 110.8 | T162 S302 G303 G304 T305 | S157-T162 WeakPolarHBondContact CB-OG1 3.37Å; S157-T162 PolarHBondContact OG-OG1 2.79Å; S157-S302 PolarHBondContact N-O 3.22Å; S157-G303 CarbonylContact O-C 3.5Å; S157-G303 WeakPolarHBondContact O-CA 3.26Å; S157-G304 PolarHBondContact O-N 3.2Å; S157-T305 WeakPolarHBondContact O-CB 3.5Å; S157-T305 PolarHBondContact O-N 3.45Å; S157-T305 VanDerWaalsContact OG-CB 3.25Å; S157-T305 WeakPolarHBondContact OG-CB 3.46Å; S157-T305 VanDerWaalsContact OG-CG2 3.27Å; S157-T305 WeakPolarHBondContact OG-CG2 3.45Å |
| 158 | G | 97.7 | Very high | 97.8 | Very high | 23 Ų | 23 | 19.9 Ų | 19.9 | 24% | 0.237 | 12% | 0.123 | C | C | . | . | trans | -93 | -153.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V161 A183 G184 T305 | G158-V161 PolarHBondContact N-O 2.84Å; G158-V161 VanDerWaalsContact N-O 3.08Å; G158-A183 WeakPolarHBondContact O-CB 3.36Å; G158-G184 PolarHBondContact O-N 3.42Å; G158-G184 VanDerWaalsContact O-N 3.15Å; G158-T305 PolarHBondContact O-OG1 2.92Å | ||
| 159 | D | 97.3 | Very high | 97.8 | Very high | 41 Ų | 41 | 22 Ų | 22 | 22% | 0.219 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -79.7 | -36 | 171.7 | -175.7 | 61.6 | 0 | 0 | 0 | 112 | A183 G184 R185 | D159-A183 WeakPolarHBondContact O-CB 3.37Å; D159-G184 PolarHBondContact O-N 3.36Å; D159-G184 VanDerWaalsContact O-N 3.16Å; D159-R185 VanDerWaalsContact O-CB 3.28Å; D159-R185 WeakPolarHBondContact O-CB 3.3Å; D159-R185 PolarHBondContact O-N 2.87Å; D159-R185 PolarHBondContact OD1-N 3.48Å; D159-R185 IonicContact OD2-CZ 3.45Å; D159-R185 IonicContact OD2-NE 2.75Å; D159-R185 PolarHBondContact OD2-NE 2.91Å; D159-R185 IonicContact OD2-NH2 2.63Å; D159-R185 PolarHBondContact OD2-NH2 2.85Å |
| 160 | G | 96.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 3% | 0.031 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -102.6 | -23.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | H75 | H75-G160 WeakPolarHBondContact CA-O 3.3Å; H75-G160 PolarHBondContact CD2-O 3.11Å |
| 161 | V | 97.7 | Very high | 97.7 | Very high | 9 Ų | 9 | 23.2 Ų | 23.2 | 6% | 0.055 | 11% | 0.114 | C | C | . | . | trans | -160 | 154 | -172.3 | 60.4 | 0 | 0 | 0 | 0 | 111 | H75 G158 H163 R179 | H75-V161 HydrophobicContact CB-CB 4.3Å; G158-V161 PolarHBondContact N-O 2.84Å; G158-V161 VanDerWaalsContact N-O 3.08Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.23Å; V161-H163 WeakPolarHBondContact CG2-CE1 3.16Å; V161-R179 HydrophobicContact CG2-CG 4.02Å | ||
| 162 | T | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 136.1 | 173 | -60.3 | 0 | 0 | 0 | 0 | 110.8 | L155 D156 S157 L180 L182 I276 | L155-T162 HydrophobicContact CD1-CG2 3.6Å; D156-T162 CarbonylContact O-C 3.53Å; D156-T162 VanDerWaalsContact O-CA 3.31Å; D156-T162 WeakPolarHBondContact O-CA 3.38Å; S157-T162 WeakPolarHBondContact CB-OG1 3.37Å; S157-T162 PolarHBondContact OG-OG1 2.79Å; T162-L180 PolarHBondContact N-O 3.33Å; T162-L180 PolarHBondContact O-N 2.88Å; T162-L182 WeakPolarHBondContact CB-O 3.31Å; T162-L182 PolarHBondContact OG1-O 3.45Å; T162-I276 HydrophobicContact CG2-CG2 3.88Å |
| 163 | H | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.009 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 140.6 | 177.2 | -58.5 | 102.7 | 0 | 0 | 0 | 111.5 | P111 L155 D156 V161 V165 M178 | P111-H163 HydrophobicContact CG-CB 3.92Å; P111-H163 VanDerWaalsContact CG-CD2 3.43Å; P111-H163 WeakPolarHBondContact CG-CD2 3.1Å; P111-H163 VanDerWaalsContact CG-CG 3.47Å; L155-H163 CarbonylContact C-O 3.51Å; L155-H163 WeakPolarHBondContact CA-O 3.3Å; D156-H163 PolarHBondContact N-O 3.01Å; D156-H163 PolarHBondContact O-N 3.47Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.23Å; V161-H163 WeakPolarHBondContact CG2-CE1 3.16Å; H163-V165 HydrophobicContact CB-CG2 3.87Å; H163-M178 CarbonylContact C-O 3.55Å; H163-M178 WeakPolarHBondContact CA-O 3.25Å |
| 164 | N | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 116.8 | 158.1 | -78.4 | -74.1 | 0 | 0 | 0 | 108.3 | I153 V154 L155 I177 M178 I276 T279 A280 | I153-N164 HydrophobicContact CD1-CB 4.15Å; V154-N164 WeakPolarHBondContact O-CA 3.49Å; L155-N164 WeakPolarHBondContact CD1-ND2 3.19Å; L155-N164 WeakPolarHBondContact CD1-OD1 3.3Å; N164-I177 WeakPolarHBondContact O-CA 3.14Å; N164-M178 HydrophobicContact CB-CB 4.25Å; N164-M178 PolarHBondContact N-O 3.3Å; N164-M178 PolarHBondContact O-N 3Å; N164-I276 PolarHBondContact ND2-O 2.81Å; N164-T279 PolarHBondContact ND2-OG1 3.44Å; N164-A280 PolarHBondContact ND2-N 3.14Å; N164-A280 WeakPolarHBondContact OD1-CB 3.31Å |
| 165 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 106.7 | -175.8 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | P111 A140 I153 V154 H163 I167 A172 I177 | P111-V165 HydrophobicContact CB-CG2 4.16Å; P111-V165 HydrophobicContact CG-CG2 3.81Å; A140-V165 HydrophobicContact CB-CB 3.56Å; A140-V165 HydrophobicContact CB-CG1 3.97Å; A140-V165 HydrophobicContact CB-CG2 3.51Å; I153-V165 WeakPolarHBondContact CA-O 3.5Å; V154-V165 PolarHBondContact N-O 3.01Å; V154-V165 PolarHBondContact O-N 3.35Å; H163-V165 HydrophobicContact CB-CG2 3.87Å; V165-I167 HydrophobicContact CG1-CD1 4.37Å; V165-I167 HydrophobicContact CG1-CG1 4.04Å; V165-A172 HydrophobicContact CG1-CB 3.86Å; V165-I177 HydrophobicContact CG1-CD1 4.13Å; V165-I177 HydrophobicContact CG1-CG1 4.19Å; V165-I177 HydrophobicContact CG2-CG2 4.33Å |
| 166 | P | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 133.3 | 172.9 | 30.1 | -27.3 | 0 | 0 | 0 | 109.2 | I153 L173 A176 S283 L295 | I153-P166 HydrophobicContact CD1-CB 4.47Å; P166-L173 HydrophobicContact CB-CD1 4.32Å; P166-L173 HydrophobicContact CG-CB 4.18Å; P166-L173 PolarHBondContact O-N 2.84Å; P166-A176 HydrophobicContact CG-CB 3.54Å; P166-S283 VanDerWaalsContact CD-OG 3.26Å; P166-S283 WeakPolarHBondContact CD-OG 3.31Å; P166-S283 VanDerWaalsContact CG-OG 3.3Å; P166-S283 WeakPolarHBondContact CG-OG 3.26Å; P166-L295 HydrophobicContact CB-CD1 4.09Å; P166-L295 HydrophobicContact CB-CD2 4.34Å |
| 167 | I | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 133.4 | -174 | -61.1 | 154.2 | 0 | 0 | 0 | 107.8 | A140 V141 L144 T151 G152 V154 V165 Y171 A172 | A140-I167 HydrophobicContact CB-CD1 4.49Å; V141-I167 HydrophobicContact CB-CD1 4.44Å; V141-I167 HydrophobicContact CG2-CD1 3.99Å; V141-I167 HydrophobicContact CG2-CG1 4.12Å; L144-I167 HydrophobicContact CB-CD1 4.01Å; L144-I167 HydrophobicContact CD2-CB 3.7Å; L144-I167 HydrophobicContact CD2-CD1 3.84Å; L144-I167 HydrophobicContact CD2-CG1 4.4Å; L144-I167 HydrophobicContact CD2-CG2 3.58Å; T151-I167 WeakPolarHBondContact CA-O 3.08Å; G152-I167 PolarHBondContact N-O 2.93Å; G152-I167 PolarHBondContact O-N 3.33Å; V154-I167 HydrophobicContact CG2-CD1 3.87Å; V165-I167 HydrophobicContact CG1-CD1 4.37Å; V165-I167 HydrophobicContact CG1-CG1 4.04Å; I167-Y171 CarbonylContact C-O 3.6Å; I167-Y171 VanDerWaalsContact CA-O 3.29Å; I167-Y171 WeakPolarHBondContact CA-O 3.35Å; I167-A172 HydrophobicContact CG1-CB 4.33Å |
| 168 | Y | 97.6 | Very high | 97.3 | Very high | 79 Ų | 79 | 35.8 Ų | 35.8 | 31% | 0.31 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 124 | 177.8 | -177.5 | -97.2 | 0 | 0 | 0 | 109.3 | T151 G170 Y171 I291 | T151-Y168 HydrophobicContact CG2-CD2 3.73Å; T151-Y168 HydrophobicContact CG2-CE2 4.33Å; Y168-G170 PolarHBondContact O-N 3.33Å; Y168-G170 VanDerWaalsContact O-N 3.13Å; Y168-Y171 PolarHBondContact N-O 2.77Å; Y168-Y171 PolarHBondContact O-N 2.85Å; Y168-I291 HydrophobicContact CD2-CB 3.98Å; Y168-I291 HydrophobicContact CD2-CD1 4.31Å; Y168-I291 HydrophobicContact CD2-CG2 3.51Å; Y168-I291 HydrophobicContact CE2-CB 4.23Å; Y168-I291 HydrophobicContact CE2-CG2 3.41Å; Y168-I291 VanDerWaalsContact CE2-CG2 3.41Å; Y168-I291 HydrophobicContact CG-CD1 4.45Å; Y168-I291 HydrophobicContact CG-CG2 4.27Å |
| 169 | E | 95.2 | Very high | 97.2 | Very high | 117 Ų | 117 | 39.4 Ų | 39.4 | 55% | 0.547 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 37.1 | -179.5 | -66.1 | -179.6 | -175.6 | 0 | 0 | 113.8 | T150 T151 Y171 | T150-E169 PolarHBondContact O-N 3.4Å; T150-E169 VanDerWaalsContact O-N 3.13Å; T151-E169 PolarHBondContact OG1-N 3.34Å; E169-Y171 VanDerWaalsContact C-N 3.34Å; E169-Y171 WeakPolarHBondContact O-CD2 3.47Å |
| 170 | G | 93.2 | Very high | 97.2 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 11% | 0.113 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | -7.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | T150 Y168 | T150-G170 PolarHBondContact O-N 3.45Å; Y168-G170 PolarHBondContact O-N 3.33Å; Y168-G170 VanDerWaalsContact O-N 3.13Å |
| 171 | Y | 94.3 | Very high | 97.1 | Very high | 156 Ų | 156 | 40.7 Ų | 40.7 | 61% | 0.612 | 20% | 0.195 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 123.7 | -179.7 | -61.2 | -83.6 | 0 | 0 | 0 | 111.4 | I167 Y168 E169 | I167-Y171 CarbonylContact C-O 3.6Å; I167-Y171 VanDerWaalsContact CA-O 3.29Å; I167-Y171 WeakPolarHBondContact CA-O 3.35Å; Y168-Y171 PolarHBondContact N-O 2.77Å; Y168-Y171 PolarHBondContact O-N 2.85Å; E169-Y171 VanDerWaalsContact C-N 3.34Å; E169-Y171 WeakPolarHBondContact O-CD2 3.47Å |
| 172 | A | 97 | Very high | 97.1 | Very high | 15 Ų | 15 | 40.2 Ų | 40.2 | 12% | 0.124 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 141.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | I138 V141 V165 I167 P174 | I138-A172 HydrophobicContact CD1-CB 4.1Å; V141-A172 HydrophobicContact CG2-CB 4.05Å; V165-A172 HydrophobicContact CG1-CB 3.86Å; I167-A172 HydrophobicContact CG1-CB 4.33Å; A172-P174 WeakPolarHBondContact O-CD 3.47Å |
| 173 | L | 97.4 | Very high | 97.1 | Very high | 32 Ų | 32 | 40.2 Ų | 40.2 | 17% | 0.168 | 19% | 0.192 | C | C | . | . | trans | -98.1 | 96.2 | 179.4 | -53.9 | 175.2 | 0 | 0 | 0 | 110.1 | P166 H175 A176 I177 C287 I291 | P166-L173 HydrophobicContact CB-CD1 4.32Å; P166-L173 HydrophobicContact CG-CB 4.18Å; P166-L173 PolarHBondContact O-N 2.84Å; L173-H175 VanDerWaalsContact C-N 3.31Å; L173-H175 PolarHBondContact O-N 3.08Å; L173-A176 HydrophobicContact CB-CB 4.43Å; L173-A176 PolarHBondContact O-N 2.98Å; L173-I177 WeakPolarHBondContact O-CG1 3.33Å; L173-I177 PolarHBondContact O-N 3.46Å; L173-C287 HydrophobicContact CD1-CB 4.47Å; L173-I291 HydrophobicContact CD1-CD1 3.54Å | ||
| 174 | P | 96.3 | Very high | 97.1 | Very high | 84 Ų | 84 | 40.1 Ų | 40.1 | 55% | 0.545 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -64.4 | -33.2 | -163.8 | -23.8 | 37.1 | 0 | 0 | 0 | 114 | A172 A176 I177 | A172-P174 WeakPolarHBondContact O-CD 3.47Å; P174-A176 PolarHBondContact O-N 3.03Å; P174-I177 PolarHBondContact O-N 3.46Å |
| 175 | H | 96.8 | Very high | 97 | Very high | 120 Ų | 120 | 42.2 Ų | 42.2 | 56% | 0.556 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -67.2 | -19.9 | 179.7 | 65.4 | -86.3 | 0 | 0 | 0 | 113.4 | L173 | L173-H175 VanDerWaalsContact C-N 3.31Å; L173-H175 PolarHBondContact O-N 3.08Å |
| 176 | A | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -108.3 | 3.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | P166 L173 P174 M178 S283 K286 | P166-A176 HydrophobicContact CG-CB 3.54Å; L173-A176 HydrophobicContact CB-CB 4.43Å; L173-A176 PolarHBondContact O-N 2.98Å; P174-A176 PolarHBondContact O-N 3.03Å; A176-M178 PolarHBondContact O-N 2.95Å; A176-S283 WeakPolarHBondContact O-CB 3.38Å; A176-S283 PolarHBondContact O-OG 2.88Å; A176-K286 HydrophobicContact CB-CB 3.74Å |
| 177 | I | 98.4 | Very high | 97 | Very high | 17 Ų | 17 | 44.2 Ų | 44.2 | 9% | 0.087 | 21% | 0.21 | C | C | . | . | trans | -68.7 | 131.2 | 175.1 | -61.1 | -179.5 | 0 | 0 | 0 | 109.5 | P111 L112 N164 V165 L173 P174 | P111-I177 HydrophobicContact CB-CD1 3.77Å; P111-I177 HydrophobicContact CB-CG2 4.16Å; P111-I177 HydrophobicContact CG-CG2 4.26Å; L112-I177 HydrophobicContact CD1-CB 4.44Å; L112-I177 HydrophobicContact CD1-CG2 4.12Å; L112-I177 HydrophobicContact CD2-CD1 4.25Å; L112-I177 HydrophobicContact CG-CD1 4.41Å; L112-I177 HydrophobicContact CG-CG2 4.38Å; N164-I177 WeakPolarHBondContact O-CA 3.14Å; V165-I177 HydrophobicContact CG1-CD1 4.13Å; V165-I177 HydrophobicContact CG1-CG1 4.19Å; V165-I177 HydrophobicContact CG2-CG2 4.33Å; L173-I177 WeakPolarHBondContact O-CG1 3.33Å; L173-I177 PolarHBondContact O-N 3.46Å; P174-I177 PolarHBondContact O-N 3.46Å | ||
| 178 | M | 98 | Very high | 97 | Very high | 39 Ų | 39 | 44.2 Ų | 44.2 | 19% | 0.192 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 123.8 | 172.7 | -58.3 | -65.3 | -68.1 | 0 | 0 | 108.7 | H163 N164 A176 T279 N282 K286 | H163-M178 CarbonylContact C-O 3.55Å; H163-M178 WeakPolarHBondContact CA-O 3.25Å; N164-M178 HydrophobicContact CB-CB 4.25Å; N164-M178 PolarHBondContact N-O 3.3Å; N164-M178 PolarHBondContact O-N 3Å; A176-M178 PolarHBondContact O-N 2.95Å; M178-T279 HydrophobicContact CE-CG2 4.29Å; M178-T279 WeakPolarHBondContact CG-O 3.4Å; M178-N282 HydrophobicContact CE-CB 4.26Å; M178-K286 HydrophobicContact SD-CD 4.23Å; M178-K286 PolarHBondContact SD-NZ 3.04Å |
| 179 | R | 96.4 | Very high | 97 | Very high | 98 Ų | 98 | 43.7 Ų | 43.7 | 37% | 0.37 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 138.1 | 177.6 | 175.5 | 173.2 | 166.7 | 173.4 | -2.6 | 109.7 | V161 D181 | V161-R179 HydrophobicContact CG2-CG 4.02Å; R179-D181 IonicContact CZ-OD1 2.78Å; R179-D181 VanDerWaalsContact CZ-OD1 3.26Å; R179-D181 IonicContact CZ-OD2 3.53Å; R179-D181 IonicContact NE-OD1 3.12Å; R179-D181 PolarHBondContact NE-OD1 3.49Å; R179-D181 IonicContact NE-OD2 3.39Å; R179-D181 IonicContact NH2-OD1 2.95Å; R179-D181 PolarHBondContact NH2-OD1 3.43Å; R179-D181 IonicContact NH2-OD2 3.85Å; R179-D181 PolarHBondContact NH2-OD2 2.84Å |
| 180 | L | 96.4 | Very high | 97.1 | Very high | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 115.1 | 174.8 | -178.2 | 69.6 | 0 | 0 | 0 | 108.4 | T162 L182 M271 I276 | T162-L180 PolarHBondContact N-O 3.33Å; T162-L180 PolarHBondContact O-N 2.88Å; L180-L182 HydrophobicContact CD1-CB 4.35Å; L180-L182 HydrophobicContact CD2-CB 3.87Å; L180-L182 HydrophobicContact CD2-CD2 4.21Å; L180-L182 HydrophobicContact CD2-CG 4.45Å; L180-L182 HydrophobicContact CG-CB 3.74Å; L180-L182 PolarHBondContact O-N 3.14Å; L180-M271 HydrophobicContact CD1-CE 4.27Å; L180-I276 HydrophobicContact CD2-CG2 4.28Å |
| 181 | D | 95.5 | Very high | 97.4 | Very high | 64 Ų | 64 | 38.6 Ų | 38.6 | 34% | 0.342 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -78.1 | 56.6 | 174.1 | -67.9 | -18 | 0 | 0 | 0 | 110 | R179 M271 | R179-D181 IonicContact CZ-OD1 2.78Å; R179-D181 VanDerWaalsContact CZ-OD1 3.26Å; R179-D181 IonicContact CZ-OD2 3.53Å; R179-D181 IonicContact NE-OD1 3.12Å; R179-D181 PolarHBondContact NE-OD1 3.49Å; R179-D181 IonicContact NE-OD2 3.39Å; R179-D181 IonicContact NH2-OD1 2.95Å; R179-D181 PolarHBondContact NH2-OD1 3.43Å; R179-D181 IonicContact NH2-OD2 3.85Å; R179-D181 PolarHBondContact NH2-OD2 2.84Å; D181-M271 WeakPolarHBondContact O-CE 3.25Å |
| 182 | L | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -140.4 | 116.5 | 174.3 | 172.2 | 53.8 | 0 | 0 | 0 | 107.8 | T162 L180 D186 L187 T262 L263 P266 I269 M271 | T162-L182 WeakPolarHBondContact CB-O 3.31Å; T162-L182 PolarHBondContact OG1-O 3.45Å; L180-L182 HydrophobicContact CD1-CB 4.35Å; L180-L182 HydrophobicContact CD2-CB 3.87Å; L180-L182 HydrophobicContact CD2-CD2 4.21Å; L180-L182 HydrophobicContact CD2-CG 4.45Å; L180-L182 HydrophobicContact CG-CB 3.74Å; L180-L182 PolarHBondContact O-N 3.14Å; L182-D186 HydrophobicContact CD1-CB 3.58Å; L182-L187 HydrophobicContact CD1-CD2 4.36Å; L182-T262 VanDerWaalsContact CD2-O 3.22Å; L182-T262 WeakPolarHBondContact CD2-O 3.49Å; L182-L263 HydrophobicContact CG-CD2 4.33Å; L182-P266 HydrophobicContact CD2-CB 4.01Å; L182-P266 HydrophobicContact CD2-CG 4.03Å; L182-I269 HydrophobicContact CD1-CD1 3.43Å; L182-I269 VanDerWaalsContact CD1-CD1 3.43Å; L182-I269 HydrophobicContact CD2-CD1 4.05Å; L182-I269 HydrophobicContact CG-CD1 4.31Å; L182-M271 HydrophobicContact CB-CE 4.13Å; L182-M271 HydrophobicContact CB-SD 4.05Å; L182-M271 HydrophobicContact CD1-SD 4.45Å; L182-M271 HydrophobicContact CD2-SD 4.37Å | ||
| 183 | A | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -157.3 | -161.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G158 D159 R185 D186 L187 | G158-A183 WeakPolarHBondContact O-CB 3.36Å; D159-A183 WeakPolarHBondContact O-CB 3.37Å; A183-R185 PolarHBondContact O-N 2.84Å; A183-R185 VanDerWaalsContact O-N 3.09Å; A183-D186 PolarHBondContact N-OD2 3.36Å; A183-D186 PolarHBondContact O-N 2.85Å; A183-D186 VanDerWaalsContact O-N 3.14Å; A183-L187 VanDerWaalsContact O-CG 3.32Å; A183-L187 WeakPolarHBondContact O-CG 3.42Å; A183-L187 PolarHBondContact O-N 3.28Å |
| 184 | G | 98.2 | Very high | 97.6 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -50.4 | -39.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G158 D159 L187 T188 K215 T305 | G158-G184 PolarHBondContact O-N 3.42Å; G158-G184 VanDerWaalsContact O-N 3.15Å; D159-G184 PolarHBondContact O-N 3.36Å; D159-G184 VanDerWaalsContact O-N 3.16Å; G184-L187 PolarHBondContact O-N 3.06Å; G184-T188 PolarHBondContact O-N 3.16Å; G184-T188 PolarHBondContact O-OG1 2.88Å; G184-K215 PolarHBondContact O-NZ 2.85Å; G184-T305 WeakPolarHBondContact CA-OG1 3.43Å; G184-T305 PolarHBondContact N-OG1 3.37Å |
| 185 | R | 97 | Very high | 97.6 | Very high | 47 Ų | 47 | 32 Ų | 32 | 18% | 0.177 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.9 | -49.6 | -179 | -169.9 | 171.1 | -64.1 | 179 | 4 | 111.6 | S16 D159 A183 L187 T188 D189 R208 | S16-R185 PolarHBondContact O-NH2 3.14Å; S16-R185 VanDerWaalsContact O-NH2 3.1Å; D159-R185 VanDerWaalsContact O-CB 3.28Å; D159-R185 WeakPolarHBondContact O-CB 3.3Å; D159-R185 PolarHBondContact O-N 2.87Å; D159-R185 PolarHBondContact OD1-N 3.48Å; D159-R185 IonicContact OD2-CZ 3.45Å; D159-R185 IonicContact OD2-NE 2.75Å; D159-R185 PolarHBondContact OD2-NE 2.91Å; D159-R185 IonicContact OD2-NH2 2.63Å; D159-R185 PolarHBondContact OD2-NH2 2.85Å; A183-R185 PolarHBondContact O-N 2.84Å; A183-R185 VanDerWaalsContact O-N 3.09Å; R185-L187 VanDerWaalsContact C-N 3.32Å; R185-L187 PolarHBondContact O-N 3.35Å; R185-T188 WeakPolarHBondContact O-CB 3.5Å; R185-T188 PolarHBondContact O-N 2.98Å; R185-T188 VanDerWaalsContact O-N 3.16Å; R185-D189 PolarHBondContact O-N 3.16Å; R185-D189 VanDerWaalsContact O-N 3.11Å; R185-R208 PolarHBondContact O-NH2 3.19Å |
| 186 | D | 97.9 | Very high | 97.7 | Very high | 41 Ų | 41 | 29.3 Ų | 29.3 | 22% | 0.219 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.5 | -37.5 | 179.8 | -45 | -74 | 0 | 0 | 0 | 111.1 | L182 A183 T188 D189 Y190 | L182-D186 HydrophobicContact CD1-CB 3.58Å; A183-D186 PolarHBondContact N-OD2 3.36Å; A183-D186 PolarHBondContact O-N 2.85Å; A183-D186 VanDerWaalsContact O-N 3.14Å; D186-T188 VanDerWaalsContact C-N 3.32Å; D186-T188 PolarHBondContact O-N 2.67Å; D186-D189 PolarHBondContact O-N 3.06Å; D186-Y190 WeakPolarHBondContact O-CB 3.33Å; D186-Y190 PolarHBondContact O-N 2.91Å |
| 187 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.5 | -38.5 | 174.2 | -63.6 | -175.8 | 0 | 0 | 0 | 112.1 | L182 A183 G184 R185 L191 K215 C259 T262 L263 T305 Y308 | L182-L187 HydrophobicContact CD1-CD2 4.36Å; A183-L187 VanDerWaalsContact O-CG 3.32Å; A183-L187 WeakPolarHBondContact O-CG 3.42Å; A183-L187 PolarHBondContact O-N 3.28Å; G184-L187 PolarHBondContact O-N 3.06Å; R185-L187 VanDerWaalsContact C-N 3.32Å; R185-L187 PolarHBondContact O-N 3.35Å; L187-L191 WeakPolarHBondContact O-CB 3.39Å; L187-L191 PolarHBondContact O-N 2.97Å; L187-K215 HydrophobicContact CB-CD 3.87Å; L187-C259 PolarHBondContact O-SG 2.81Å; L187-T262 WeakPolarHBondContact CD2-OG1 3.18Å; L187-L263 HydrophobicContact CD1-CD1 4.1Å; L187-L263 HydrophobicContact CD1-CD2 4.24Å; L187-L263 HydrophobicContact CD1-CG 4.14Å; L187-L263 HydrophobicContact CD2-CG 4.32Å; L187-T305 HydrophobicContact CD1-CG2 3.69Å; L187-Y308 HydrophobicContact CD1-CE2 3.7Å; L187-Y308 WeakPolarHBondContact CD1-OH 3.03Å |
| 188 | T | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.6 | -44.3 | 173.8 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | G184 R185 D186 L191 M192 R208 V211 R212 K215 | G184-T188 PolarHBondContact O-N 3.16Å; G184-T188 PolarHBondContact O-OG1 2.88Å; R185-T188 WeakPolarHBondContact O-CB 3.5Å; R185-T188 PolarHBondContact O-N 2.98Å; R185-T188 VanDerWaalsContact O-N 3.16Å; D186-T188 VanDerWaalsContact C-N 3.32Å; D186-T188 PolarHBondContact O-N 2.67Å; T188-L191 PolarHBondContact O-N 2.78Å; T188-M192 WeakPolarHBondContact O-CG 3.43Å; T188-M192 PolarHBondContact O-N 2.66Å; T188-R208 HydrophobicContact CG2-CG 3.97Å; T188-V211 HydrophobicContact CG2-CB 4.37Å; T188-V211 HydrophobicContact CG2-CG1 4.26Å; T188-R212 HydrophobicContact CG2-CB 4.04Å; T188-K215 PolarHBondContact OG1-NZ 2.76Å |
| 189 | D | 97.2 | Very high | 97.2 | Very high | 69 Ų | 69 | 38.8 Ų | 38.8 | 37% | 0.369 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.9 | -38.6 | -178.7 | -63.4 | -27.8 | 0 | 0 | 0 | 111.7 | R185 D186 M192 K193 R208 | R185-D189 PolarHBondContact O-N 3.16Å; R185-D189 VanDerWaalsContact O-N 3.11Å; D186-D189 PolarHBondContact O-N 3.06Å; D189-M192 WeakPolarHBondContact O-CB 3.34Å; D189-M192 PolarHBondContact O-N 2.96Å; D189-K193 PolarHBondContact O-N 2.75Å; D189-K193 VanDerWaalsContact O-N 3.16Å; D189-R208 VanDerWaalsContact CG-NH2 3.3Å; D189-R208 IonicContact OD1-CZ 3.27Å; D189-R208 IonicContact OD1-NE 3.08Å; D189-R208 PolarHBondContact OD1-NE 3.46Å; D189-R208 IonicContact OD1-NH2 3.06Å; D189-R208 PolarHBondContact OD1-NH2 3.23Å; D189-R208 IonicContact OD2-NH2 3.28Å; D189-R208 PolarHBondContact OD2-NH2 2.61Å |
| 190 | Y | 98.1 | Very high | 97.1 | Very high | 20 Ų | 20 | 37 Ų | 37 | 8% | 0.078 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.5 | -40.6 | 172.5 | -179.4 | -121 | 0 | 0 | 0 | 112.1 | D186 M192 K193 I194 C259 T262 I269 | D186-Y190 WeakPolarHBondContact O-CB 3.33Å; D186-Y190 PolarHBondContact O-N 2.91Å; Y190-M192 VanDerWaalsContact C-N 3.31Å; Y190-M192 PolarHBondContact O-N 3Å; Y190-K193 HydrophobicContact CD2-CD 4.47Å; Y190-K193 WeakPolarHBondContact O-CB 3.37Å; Y190-K193 PolarHBondContact O-N 2.87Å; Y190-K193 VanDerWaalsContact O-N 3.12Å; Y190-I194 HydrophobicContact CD1-CD1 4.31Å; Y190-I194 HydrophobicContact CD2-CG2 4.16Å; Y190-I194 HydrophobicContact CE1-CD1 3.99Å; Y190-I194 HydrophobicContact CE1-CG2 4.1Å; Y190-I194 HydrophobicContact CE2-CG2 3.59Å; Y190-I194 PolarHBondContact O-N 2.88Å; Y190-C259 HydrophobicContact CD1-CB 4.48Å; Y190-T262 HydrophobicContact CD1-CG2 3.42Å; Y190-T262 VanDerWaalsContact CD1-CG2 3.42Å; Y190-T262 HydrophobicContact CE1-CG2 3.36Å; Y190-T262 HydrophobicContact CG-CG2 4.12Å; Y190-I269 HydrophobicContact CD1-CG2 4.2Å; Y190-I269 HydrophobicContact CD2-CG2 3.34Å; Y190-I269 HydrophobicContact CE2-CG2 3.81Å; Y190-I269 HydrophobicContact CG-CG2 3.55Å |
| 191 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.3 | -40.7 | 175 | -174.7 | 59.8 | 0 | 0 | 0 | 111.4 | L187 T188 K193 I194 L195 V211 I214 K215 E255 C259 | L187-L191 WeakPolarHBondContact O-CB 3.39Å; L187-L191 PolarHBondContact O-N 2.97Å; T188-L191 PolarHBondContact O-N 2.78Å; L191-K193 VanDerWaalsContact C-N 3.27Å; L191-K193 PolarHBondContact O-N 2.88Å; L191-I194 HydrophobicContact CD1-CD1 3.97Å; L191-I194 HydrophobicContact CD1-CG1 4Å; L191-I194 WeakPolarHBondContact O-CG1 3.31Å; L191-I194 PolarHBondContact O-N 3.39Å; L191-L195 HydrophobicContact CD1-CD1 4.17Å; L191-L195 HydrophobicContact CD1-CD2 4.45Å; L191-L195 HydrophobicContact CD1-CG 3.99Å; L191-L195 HydrophobicContact CD2-CD1 4.44Å; L191-L195 HydrophobicContact CG-CD1 3.83Å; L191-L195 HydrophobicContact CG-CG 4.14Å; L191-L195 VanDerWaalsContact O-CB 3.32Å; L191-L195 WeakPolarHBondContact O-CB 3.38Å; L191-L195 WeakPolarHBondContact O-CG 3.32Å; L191-L195 PolarHBondContact O-N 3.04Å; L191-V211 HydrophobicContact CB-CG1 3.78Å; L191-V211 HydrophobicContact CD2-CG1 3.71Å; L191-V211 HydrophobicContact CG-CG1 3.65Å; L191-I214 HydrophobicContact CD2-CB 4.49Å; L191-I214 HydrophobicContact CD2-CG2 4.1Å; L191-K215 HydrophobicContact CD2-CB 3.6Å; L191-K215 HydrophobicContact CD2-CG 4.21Å; L191-E255 HydrophobicContact CD1-CB 3.92Å; L191-C259 HydrophobicContact CB-CB 4.32Å; L191-C259 HydrophobicContact CD1-CB 4.03Å |
| 192 | M | 98 | Very high | 97 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 14% | 0.138 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.5 | -43.8 | 173.8 | -70.1 | 176.1 | 67.9 | 0 | 0 | 111.2 | T188 D189 Y190 T196 F202 R208 V211 | T188-M192 WeakPolarHBondContact O-CG 3.43Å; T188-M192 PolarHBondContact O-N 2.66Å; D189-M192 WeakPolarHBondContact O-CB 3.34Å; D189-M192 PolarHBondContact O-N 2.96Å; Y190-M192 VanDerWaalsContact C-N 3.31Å; Y190-M192 PolarHBondContact O-N 3Å; M192-T196 PolarHBondContact O-N 3.08Å; M192-T196 PolarHBondContact O-OG1 3.26Å; M192-F202 HydrophobicContact CE-CB 4.12Å; M192-F202 WeakPolarHBondContact CE-O 3.29Å; M192-R208 HydrophobicContact CE-CB 4.27Å; M192-R208 HydrophobicContact SD-CB 3.85Å; M192-R208 HydrophobicContact SD-CG 3.63Å; M192-V211 HydrophobicContact CB-CG1 4.47Å; M192-V211 HydrophobicContact CG-CB 3.77Å; M192-V211 HydrophobicContact CG-CG1 3.63Å; M192-V211 HydrophobicContact CG-CG2 3.75Å |
| 193 | K | 97.3 | Very high | 96.8 | Very high | 121 Ų | 121 | 43.2 Ų | 43.2 | 53% | 0.526 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.8 | -52.1 | 178.7 | -179.2 | -175.9 | 173.3 | -175.4 | 0 | 111.9 | D189 Y190 L191 L195 T196 E197 | D189-K193 PolarHBondContact O-N 2.75Å; D189-K193 VanDerWaalsContact O-N 3.16Å; Y190-K193 HydrophobicContact CD2-CD 4.47Å; Y190-K193 WeakPolarHBondContact O-CB 3.37Å; Y190-K193 PolarHBondContact O-N 2.87Å; Y190-K193 VanDerWaalsContact O-N 3.12Å; L191-K193 VanDerWaalsContact C-N 3.27Å; L191-K193 PolarHBondContact O-N 2.88Å; K193-L195 VanDerWaalsContact C-N 3.33Å; K193-L195 PolarHBondContact O-N 3.28Å; K193-T196 WeakPolarHBondContact O-CA 3.46Å; K193-T196 WeakPolarHBondContact O-CB 3.32Å; K193-T196 PolarHBondContact O-N 3.47Å; K193-T196 VanDerWaalsContact O-N 3.1Å; K193-E197 PolarHBondContact O-N 3.18Å |
| 194 | I | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73.5 | -24.8 | -176.9 | 65.4 | -176.8 | 0 | 0 | 0 | 112.8 | Y190 L191 T196 E197 R198 E255 R258 C259 | Y190-I194 HydrophobicContact CD1-CD1 4.31Å; Y190-I194 HydrophobicContact CD2-CG2 4.16Å; Y190-I194 HydrophobicContact CE1-CD1 3.99Å; Y190-I194 HydrophobicContact CE1-CG2 4.1Å; Y190-I194 HydrophobicContact CE2-CG2 3.59Å; Y190-I194 PolarHBondContact O-N 2.88Å; L191-I194 HydrophobicContact CD1-CD1 3.97Å; L191-I194 HydrophobicContact CD1-CG1 4Å; L191-I194 WeakPolarHBondContact O-CG1 3.31Å; L191-I194 PolarHBondContact O-N 3.39Å; I194-T196 VanDerWaalsContact C-N 3.34Å; I194-E197 WeakPolarHBondContact O-CB 3.4Å; I194-E197 PolarHBondContact O-N 3.48Å; I194-R198 PolarHBondContact O-N 2.98Å; I194-E255 HydrophobicContact CB-CG 4.17Å; I194-E255 HydrophobicContact CD1-CB 3.68Å; I194-E255 HydrophobicContact CD1-CG 4.02Å; I194-E255 HydrophobicContact CG1-CB 3.87Å; I194-E255 HydrophobicContact CG1-CG 3.78Å; I194-R258 HydrophobicContact CD1-CB 4.18Å; I194-C259 HydrophobicContact CD1-CB 4.13Å |
| 195 | L | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.8 | -36.6 | 167.6 | -71.5 | 174.7 | 0 | 0 | 0 | 111.7 | L191 K193 E197 R198 G199 Y200 F202 V211 I214 I252 E255 | L191-L195 HydrophobicContact CD1-CD1 4.17Å; L191-L195 HydrophobicContact CD1-CD2 4.45Å; L191-L195 HydrophobicContact CD1-CG 3.99Å; L191-L195 HydrophobicContact CD2-CD1 4.44Å; L191-L195 HydrophobicContact CG-CD1 3.83Å; L191-L195 HydrophobicContact CG-CG 4.14Å; L191-L195 VanDerWaalsContact O-CB 3.32Å; L191-L195 WeakPolarHBondContact O-CB 3.38Å; L191-L195 WeakPolarHBondContact O-CG 3.32Å; L191-L195 PolarHBondContact O-N 3.04Å; K193-L195 VanDerWaalsContact C-N 3.33Å; K193-L195 PolarHBondContact O-N 3.28Å; L195-E197 VanDerWaalsContact C-N 3.35Å; L195-R198 WeakPolarHBondContact O-CB 3.32Å; L195-R198 PolarHBondContact O-N 3.28Å; L195-G199 PolarHBondContact O-N 3.06Å; L195-Y200 CarbonylContact C-O 3.57Å; L195-Y200 PolarHBondContact O-N 3.34Å; L195-F202 HydrophobicContact CB-CD2 4.35Å; L195-F202 HydrophobicContact CB-CE2 4.21Å; L195-F202 HydrophobicContact CD1-CD2 4.21Å; L195-F202 HydrophobicContact CD1-CE2 3.83Å; L195-V211 HydrophobicContact CD1-CG1 3.96Å; L195-V211 HydrophobicContact CD1-CG2 4.1Å; L195-I214 HydrophobicContact CD1-CD1 4.34Å; L195-I252 HydrophobicContact CD2-CD1 3.73Å; L195-I252 HydrophobicContact CD2-CG2 4.16Å; L195-E255 HydrophobicContact CD2-CB 4.39Å; L195-E255 HydrophobicContact CD2-CG 4.3Å |
| 196 | T | 97.3 | Very high | 95.6 | Very high | 63 Ų | 63 | 50.5 Ų | 50.5 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 174.4 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | M192 K193 I194 R198 G199 Y200 | M192-T196 PolarHBondContact O-N 3.08Å; M192-T196 PolarHBondContact O-OG1 3.26Å; K193-T196 WeakPolarHBondContact O-CA 3.46Å; K193-T196 WeakPolarHBondContact O-CB 3.32Å; K193-T196 PolarHBondContact O-N 3.47Å; K193-T196 VanDerWaalsContact O-N 3.1Å; I194-T196 VanDerWaalsContact C-N 3.34Å; T196-R198 PolarHBondContact O-N 3.47Å; T196-G199 WeakPolarHBondContact O-CA 3.34Å; T196-G199 PolarHBondContact O-N 3.08Å; T196-Y200 VanDerWaalsContact CA-O 3.3Å; T196-Y200 WeakPolarHBondContact CA-O 3.38Å; T196-Y200 PolarHBondContact N-O 3.15Å |
| 197 | E | 95.2 | Very high | 95.4 | Very high | 112 Ų | 112 | 51.3 Ų | 51.3 | 52% | 0.523 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.8 | -34.7 | 172.6 | -67.3 | 168.1 | -170 | 0 | 0 | 112.2 | K193 I194 L195 G199 R258 | K193-E197 PolarHBondContact O-N 3.18Å; I194-E197 WeakPolarHBondContact O-CB 3.4Å; I194-E197 PolarHBondContact O-N 3.48Å; L195-E197 VanDerWaalsContact C-N 3.35Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-R258 IonicContact OE2-NH1 3.92Å; E197-R258 IonicContact OE2-NH2 3.25Å; E197-R258 PolarHBondContact OE2-NH2 3.13Å |
| 198 | R | 93.2 | Very high | 95.2 | Very high | 84 Ų | 84 | 53.1 Ų | 53.1 | 32% | 0.317 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -75.7 | -14.5 | 174.7 | -163.4 | -178.7 | -175.9 | 96.1 | 3.4 | 113.4 | I194 L195 T196 Y200 E239 T251 E255 | I194-R198 PolarHBondContact O-N 2.98Å; L195-R198 WeakPolarHBondContact O-CB 3.32Å; L195-R198 PolarHBondContact O-N 3.28Å; T196-R198 PolarHBondContact O-N 3.47Å; R198-Y200 HydrophobicContact CG-CD2 4.46Å; R198-Y200 HydrophobicContact CG-CE2 4.33Å; R198-E239 IonicContact CZ-OE1 3.33Å; R198-E239 IonicContact NH2-OE1 2.85Å; R198-E239 PolarHBondContact NH2-OE1 3.2Å; R198-T251 PolarHBondContact NE-O 3.13Å; R198-E255 WeakPolarHBondContact CD-OE1 3.3Å; R198-E255 IonicContact CZ-OE1 2.88Å; R198-E255 IonicContact CZ-OE2 2.75Å; R198-E255 IonicContact NH1-OE1 3.69Å; R198-E255 PolarHBondContact NH1-OE1 3.29Å; R198-E255 VanDerWaalsContact NH1-OE1 3.08Å; R198-E255 IonicContact NH1-OE2 3.82Å; R198-E255 PolarHBondContact NH1-OE2 3.45Å; R198-E255 VanDerWaalsContact NH1-OE2 3.12Å |
| 199 | G | 96 | Very high | 95.1 | Very high | 60 Ų | 60 | 54.7 Ų | 54.7 | 62% | 0.619 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106 | 5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L195 T196 E197 | L195-G199 PolarHBondContact O-N 3.06Å; T196-G199 WeakPolarHBondContact O-CA 3.34Å; T196-G199 PolarHBondContact O-N 3.08Å; E197-G199 VanDerWaalsContact C-N 3.28Å |
| 200 | Y | 95.7 | Very high | 95 | Very high | 59 Ų | 59 | 52.9 Ų | 52.9 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | trans | -101.8 | 101.4 | 174.2 | -56.2 | -55.7 | 0 | 0 | 0 | 110.5 | L195 T196 R198 I250 T251 | L195-Y200 CarbonylContact C-O 3.57Å; L195-Y200 PolarHBondContact O-N 3.34Å; T196-Y200 VanDerWaalsContact CA-O 3.3Å; T196-Y200 WeakPolarHBondContact CA-O 3.38Å; T196-Y200 PolarHBondContact N-O 3.15Å; R198-Y200 HydrophobicContact CG-CD2 4.46Å; R198-Y200 HydrophobicContact CG-CE2 4.33Å; Y200-I250 HydrophobicContact CD1-CB 4.27Å; Y200-I250 HydrophobicContact CD1-CG2 3.78Å; Y200-I250 HydrophobicContact CD2-CB 4.36Å; Y200-I250 HydrophobicContact CE1-CB 3.85Å; Y200-I250 HydrophobicContact CE1-CG2 3.53Å; Y200-I250 HydrophobicContact CE2-CB 3.95Å; Y200-I250 HydrophobicContact CE2-CG2 4.49Å; Y200-I250 HydrophobicContact CG-CG2 4.38Å; Y200-T251 WeakPolarHBondContact CE2-O 3.46Å; Y200-T251 PolarHBondContact OH-N 2.63Å | ||
| 201 | S | 94.7 | Very high | 95.1 | Very high | 74 Ų | 74 | 52 Ų | 52 | 52% | 0.517 | 29% | 0.29 | S | S | . | . | trans | -90.7 | 124 | -178.1 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 202 | F | 94.7 | Very high | 95 | Very high | 15 Ų | 15 | 55.4 Ų | 55.4 | 7% | 0.066 | 30% | 0.303 | C | S | . | . | trans | -120.3 | 116.5 | 173.6 | -62.7 | -79.6 | 0 | 0 | 0 | 107.6 | M192 L195 E207 I210 V211 I214 L244 I250 | M192-F202 HydrophobicContact CE-CB 4.12Å; M192-F202 WeakPolarHBondContact CE-O 3.29Å; L195-F202 HydrophobicContact CB-CD2 4.35Å; L195-F202 HydrophobicContact CB-CE2 4.21Å; L195-F202 HydrophobicContact CD1-CD2 4.21Å; L195-F202 HydrophobicContact CD1-CE2 3.83Å; F202-E207 HydrophobicContact CB-CB 3.92Å; F202-E207 HydrophobicContact CD1-CB 3.85Å; F202-E207 HydrophobicContact CD1-CG 4.12Å; F202-E207 HydrophobicContact CG-CB 4.37Å; F202-I210 HydrophobicContact CE1-CG2 4.36Å; F202-V211 HydrophobicContact CB-CG2 3.86Å; F202-V211 HydrophobicContact CD1-CG2 4.03Å; F202-V211 HydrophobicContact CD2-CG2 3.5Å; F202-V211 VanDerWaalsContact CD2-CG2 3.5Å; F202-V211 HydrophobicContact CE1-CG2 4.46Å; F202-V211 HydrophobicContact CE2-CG2 3.99Å; F202-V211 HydrophobicContact CG-CG2 3.51Å; F202-V211 HydrophobicContact CZ-CG2 4.43Å; F202-I214 HydrophobicContact CZ-CD1 4.43Å; F202-L244 HydrophobicContact CE1-CD2 4.04Å; F202-L244 HydrophobicContact CZ-CD2 4.16Å; F202-I250 HydrophobicContact CZ-CD1 3.96Å | ||
| 203 | V | 92.3 | Very high | 95 | Very high | 114 Ų | 114 | 55.8 Ų | 55.8 | 69% | 0.691 | 31% | 0.306 | S | S | * | . | trans | -121.3 | -25.5 | -170 | -64.4 | 0 | 0 | 0 | 0 | 113.4 | E207 | V203-E207 PolarHBondContact N-OE2 2.99Š| ||
| 204 | T | 91.5 | Very high | 95.1 | Very high | 68 Ų | 68 | 50 Ų | 50 | 42% | 0.417 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -89.2 | 159.9 | -177.7 | 69.6 | 0 | 0 | 0 | 0 | 112 | A206 E207 R208 | T204-A206 PolarHBondContact O-N 3.1Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.41Å; T204-E207 PolarHBondContact N-OE2 3.38Å; T204-E207 PolarHBondContact O-N 3.18Å; T204-E207 WeakPolarHBondContact OG1-CB 3.4Å; T204-E207 VanDerWaalsContact OG1-CD 3.28Å; T204-E207 WeakPolarHBondContact OG1-CG 3.36Å; T204-E207 PolarHBondContact OG1-N 3.17Å; T204-E207 VanDerWaalsContact OG1-N 3.13Å; T204-E207 PolarHBondContact OG1-OE2 2.9Å; T204-R208 PolarHBondContact O-N 3.02Å |
| 205 | T | 87.7 | Confident | 95.1 | Very high | 76 Ų | 76 | 50.4 Ų | 50.4 | 47% | 0.466 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -19.1 | 175.2 | 58.4 | 0 | 0 | 0 | 0 | 113.4 | R64 | R64-T205 PolarHBondContact NH1-O 3.25Š|
| 206 | A | 89.7 | Confident | 95.1 | Very high | 56 Ų | 56 | 55.8 Ų | 55.8 | 46% | 0.463 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -44.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | T204 R208 E209 I210 | T204-A206 PolarHBondContact O-N 3.1Å; A206-R208 PolarHBondContact O-N 2.87Å; A206-E209 WeakPolarHBondContact O-CB 3.39Å; A206-E209 PolarHBondContact O-N 3.29Å; A206-I210 PolarHBondContact O-N 2.96Å |
| 207 | E | 94.1 | Very high | 95.2 | Very high | 58 Ų | 58 | 59.2 Ų | 59.2 | 27% | 0.271 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.1 | -33.8 | 173.7 | -76.9 | 166.2 | 163.5 | 0 | 0 | 112.5 | F202 V203 T204 E209 I210 V211 | F202-E207 HydrophobicContact CB-CB 3.92Å; F202-E207 HydrophobicContact CD1-CB 3.85Å; F202-E207 HydrophobicContact CD1-CG 4.12Å; F202-E207 HydrophobicContact CG-CB 4.37Å; V203-E207 PolarHBondContact N-OE2 2.99Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.41Å; T204-E207 PolarHBondContact N-OE2 3.38Å; T204-E207 PolarHBondContact O-N 3.18Å; T204-E207 WeakPolarHBondContact OG1-CB 3.4Å; T204-E207 VanDerWaalsContact OG1-CD 3.28Å; T204-E207 WeakPolarHBondContact OG1-CG 3.36Å; T204-E207 PolarHBondContact OG1-N 3.17Å; T204-E207 VanDerWaalsContact OG1-N 3.13Å; T204-E207 PolarHBondContact OG1-OE2 2.9Å; E207-E209 PolarHBondContact O-N 3.2Å; E207-I210 HydrophobicContact CG-CD1 4.48Å; E207-I210 WeakPolarHBondContact O-CA 3.44Å; E207-I210 VanDerWaalsContact O-CB 3.28Å; E207-I210 WeakPolarHBondContact O-CB 3.48Å; E207-I210 PolarHBondContact O-N 2.79Å; E207-V211 PolarHBondContact O-N 3.14Å |
| 208 | R | 94.8 | Very high | 95.3 | Very high | 39 Ų | 39 | 55.2 Ų | 55.2 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.7 | -33.9 | 171.1 | -177.2 | 174.1 | -169.4 | -71.7 | -5.9 | 113.2 | R185 T188 D189 M192 T204 A206 V211 R212 | R185-R208 PolarHBondContact O-NH2 3.19Å; T188-R208 HydrophobicContact CG2-CG 3.97Å; D189-R208 VanDerWaalsContact CG-NH2 3.3Å; D189-R208 IonicContact OD1-CZ 3.27Å; D189-R208 IonicContact OD1-NE 3.08Å; D189-R208 PolarHBondContact OD1-NE 3.46Å; D189-R208 IonicContact OD1-NH2 3.06Å; D189-R208 PolarHBondContact OD1-NH2 3.23Å; D189-R208 IonicContact OD2-NH2 3.28Å; D189-R208 PolarHBondContact OD2-NH2 2.61Å; M192-R208 HydrophobicContact CE-CB 4.27Å; M192-R208 HydrophobicContact SD-CB 3.85Å; M192-R208 HydrophobicContact SD-CG 3.63Å; T204-R208 PolarHBondContact O-N 3.02Å; A206-R208 PolarHBondContact O-N 2.87Å; R208-V211 PolarHBondContact O-N 3.08Å; R208-R212 PolarHBondContact O-N 3.32Å |
| 209 | E | 94.5 | Very high | 95.6 | Very high | 32 Ų | 32 | 51.4 Ų | 51.4 | 15% | 0.15 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.8 | -32.2 | 176.4 | -62.4 | -61.9 | 148.1 | 0 | 0 | 112.3 | Q61 R64 A206 E207 V211 R212 D213 | Q61-E209 VanDerWaalsContact NE2-CG 3.34Å; Q61-E209 PolarHBondContact NE2-OE2 2.83Å; R64-E209 IonicContact CZ-OE1 2.87Å; R64-E209 VanDerWaalsContact CZ-OE1 3.27Å; R64-E209 IonicContact NH1-OE1 2.81Å; R64-E209 PolarHBondContact NH1-OE1 3.32Å; R64-E209 VanDerWaalsContact NH1-OE1 3.08Å; R64-E209 IonicContact NH2-OE1 3.22Å; R64-E209 PolarHBondContact NH2-OE1 2.95Å; A206-E209 WeakPolarHBondContact O-CB 3.39Å; A206-E209 PolarHBondContact O-N 3.29Å; E207-E209 PolarHBondContact O-N 3.2Å; E209-V211 VanDerWaalsContact C-N 3.3Å; E209-R212 PolarHBondContact O-N 3.01Å; E209-R212 IonicContact OE2-CZ 3.99Å; E209-R212 IonicContact OE2-NE 3.5Å; E209-R212 PolarHBondContact OE2-NE 3.44Å; E209-R212 IonicContact OE2-NH2 3.42Å; E209-D213 PolarHBondContact O-N 3.49Å |
| 210 | I | 96.7 | Very high | 95.7 | Very high | 32 Ų | 32 | 50 Ų | 50 | 16% | 0.164 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 170.5 | -55.8 | 173.6 | 0 | 0 | 0 | 109 | F202 A206 E207 R212 D213 I214 Y242 L244 P245 | F202-I210 HydrophobicContact CE1-CG2 4.36Å; A206-I210 PolarHBondContact O-N 2.96Å; E207-I210 HydrophobicContact CG-CD1 4.48Å; E207-I210 WeakPolarHBondContact O-CA 3.44Å; E207-I210 VanDerWaalsContact O-CB 3.28Å; E207-I210 WeakPolarHBondContact O-CB 3.48Å; E207-I210 PolarHBondContact O-N 2.79Å; I210-R212 VanDerWaalsContact C-N 3.34Å; I210-R212 PolarHBondContact O-N 3.1Å; I210-D213 PolarHBondContact O-N 3.03Å; I210-D213 VanDerWaalsContact O-N 3.15Å; I210-I214 HydrophobicContact CG2-CD1 4.11Å; I210-I214 WeakPolarHBondContact O-CG1 3.49Å; I210-I214 PolarHBondContact O-N 3.38Å; I210-Y242 HydrophobicContact CG2-CE1 3.85Å; I210-L244 HydrophobicContact CG2-CD2 3.68Å; I210-P245 HydrophobicContact CD1-CG 3.83Å; I210-P245 HydrophobicContact CG1-CG 4.19Å |
| 211 | V | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.7 | -36.9 | 177.9 | -178.2 | 0 | 0 | 0 | 0 | 112.1 | T188 L191 M192 L195 F202 E207 R208 E209 D213 I214 K215 | T188-V211 HydrophobicContact CG2-CB 4.37Å; T188-V211 HydrophobicContact CG2-CG1 4.26Å; L191-V211 HydrophobicContact CB-CG1 3.78Å; L191-V211 HydrophobicContact CD2-CG1 3.71Å; L191-V211 HydrophobicContact CG-CG1 3.65Å; M192-V211 HydrophobicContact CB-CG1 4.47Å; M192-V211 HydrophobicContact CG-CB 3.77Å; M192-V211 HydrophobicContact CG-CG1 3.63Å; M192-V211 HydrophobicContact CG-CG2 3.75Å; L195-V211 HydrophobicContact CD1-CG1 3.96Å; L195-V211 HydrophobicContact CD1-CG2 4.1Å; F202-V211 HydrophobicContact CB-CG2 3.86Å; F202-V211 HydrophobicContact CD1-CG2 4.03Å; F202-V211 HydrophobicContact CD2-CG2 3.5Å; F202-V211 VanDerWaalsContact CD2-CG2 3.5Å; F202-V211 HydrophobicContact CE1-CG2 4.46Å; F202-V211 HydrophobicContact CE2-CG2 3.99Å; F202-V211 HydrophobicContact CG-CG2 3.51Å; F202-V211 HydrophobicContact CZ-CG2 4.43Å; E207-V211 PolarHBondContact O-N 3.14Å; R208-V211 PolarHBondContact O-N 3.08Å; E209-V211 VanDerWaalsContact C-N 3.3Å; V211-D213 VanDerWaalsContact C-N 3.33Å; V211-D213 PolarHBondContact O-N 3.18Å; V211-I214 PolarHBondContact O-N 3.05Å; V211-K215 WeakPolarHBondContact O-CB 3.33Å; V211-K215 PolarHBondContact O-N 2.94Å |
| 212 | R | 97.7 | Very high | 96.1 | Very high | 73 Ų | 73 | 44 Ų | 44 | 28% | 0.275 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60 | -42.8 | 171.3 | -172.6 | -171.5 | 62 | 71.3 | 5.8 | 111.6 | T188 R208 E209 I210 K215 E216 | T188-R212 HydrophobicContact CG2-CB 4.04Å; R208-R212 PolarHBondContact O-N 3.32Å; E209-R212 PolarHBondContact O-N 3.01Å; E209-R212 IonicContact OE2-CZ 3.99Å; E209-R212 IonicContact OE2-NE 3.5Å; E209-R212 PolarHBondContact OE2-NE 3.44Å; E209-R212 IonicContact OE2-NH2 3.42Å; I210-R212 VanDerWaalsContact C-N 3.34Å; I210-R212 PolarHBondContact O-N 3.1Å; R212-K215 WeakPolarHBondContact O-CB 3.46Å; R212-K215 PolarHBondContact O-N 3.15Å; R212-E216 WeakPolarHBondContact CG-OE1 3.33Å; R212-E216 IonicContact CZ-OE1 3.23Å; R212-E216 IonicContact NH1-OE1 2.98Å; R212-E216 PolarHBondContact NH1-OE1 3.06Å; R212-E216 IonicContact NH1-OE2 3.81Å; R212-E216 PolarHBondContact NH1-OE2 2.95Å; R212-E216 WeakPolarHBondContact O-CG 3.32Å; R212-E216 PolarHBondContact O-N 2.88Å |
| 213 | D | 98 | Very high | 96.2 | Very high | 36 Ų | 36 | 47.6 Ų | 47.6 | 19% | 0.193 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.5 | -42.3 | 178.2 | -172.5 | 80.2 | 0 | 0 | 0 | 112.2 | E209 I210 V211 K215 E216 K217 Y242 | E209-D213 PolarHBondContact O-N 3.49Å; I210-D213 PolarHBondContact O-N 3.03Å; I210-D213 VanDerWaalsContact O-N 3.15Å; V211-D213 VanDerWaalsContact C-N 3.33Å; V211-D213 PolarHBondContact O-N 3.18Å; D213-K215 VanDerWaalsContact C-N 3.28Å; D213-K215 PolarHBondContact O-N 3.11Å; D213-E216 PolarHBondContact O-N 3.49Å; D213-K217 VanDerWaalsContact CG-NZ 3.31Å; D213-K217 WeakPolarHBondContact O-CB 3.47Å; D213-K217 WeakPolarHBondContact O-CG 3.31Å; D213-K217 PolarHBondContact O-N 3.39Å; D213-K217 WeakPolarHBondContact OD1-CE 3.49Å; D213-K217 IonicContact OD1-NZ 3.08Å; D213-K217 PolarHBondContact OD1-NZ 3.48Å; D213-K217 VanDerWaalsContact OD1-NZ 3.16Å; D213-K217 VanDerWaalsContact OD2-CD 3.26Å; D213-K217 WeakPolarHBondContact OD2-CD 3.39Å; D213-K217 WeakPolarHBondContact OD2-CE 3.44Å; D213-K217 IonicContact OD2-NZ 3.88Å; D213-K217 PolarHBondContact OD2-NZ 2.95Å; D213-Y242 WeakPolarHBondContact OD2-CE2 3.45Å; D213-Y242 PolarHBondContact OD2-OH 3.03Å |
| 214 | I | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.2 | -47 | 171 | -68.8 | 167.6 | 0 | 0 | 0 | 110.2 | L191 L195 F202 I210 V211 K217 L218 Y242 I250 I252 | L191-I214 HydrophobicContact CD2-CB 4.49Å; L191-I214 HydrophobicContact CD2-CG2 4.1Å; L195-I214 HydrophobicContact CD1-CD1 4.34Å; F202-I214 HydrophobicContact CZ-CD1 4.43Å; I210-I214 HydrophobicContact CG2-CD1 4.11Å; I210-I214 WeakPolarHBondContact O-CG1 3.49Å; I210-I214 PolarHBondContact O-N 3.38Å; V211-I214 PolarHBondContact O-N 3.05Å; I214-K217 PolarHBondContact O-N 3.15Å; I214-L218 HydrophobicContact CG2-CD1 4.37Å; I214-L218 WeakPolarHBondContact O-CB 3.35Å; I214-L218 PolarHBondContact O-N 2.81Å; I214-Y242 HydrophobicContact CD1-CD1 3.99Å; I214-Y242 HydrophobicContact CD1-CE1 4.15Å; I214-Y242 HydrophobicContact CD1-CG 4.3Å; I214-Y242 HydrophobicContact CG1-CD1 3.75Å; I214-Y242 HydrophobicContact CG1-CD2 3.67Å; I214-Y242 HydrophobicContact CG1-CE1 3.78Å; I214-Y242 HydrophobicContact CG1-CE2 3.67Å; I214-Y242 HydrophobicContact CG1-CG 3.71Å; I214-I250 HydrophobicContact CD1-CD1 4Å; I214-I252 HydrophobicContact CD1-CD1 4.43Å; I214-I252 HydrophobicContact CG2-CD1 4.19Å; I214-I252 HydrophobicContact CG2-CG1 4.05Å; I214-I252 HydrophobicContact CG2-CG2 4.43Å |
| 215 | K | 98.5 | Very high | 96.8 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.2 | -53.6 | 179.1 | -173 | -170.3 | 71.8 | -179 | 0 | 111.2 | G184 L187 T188 L191 V211 R212 D213 K217 C219 Y308 | G184-K215 PolarHBondContact O-NZ 2.85Å; L187-K215 HydrophobicContact CB-CD 3.87Å; T188-K215 PolarHBondContact OG1-NZ 2.76Å; L191-K215 HydrophobicContact CD2-CB 3.6Å; L191-K215 HydrophobicContact CD2-CG 4.21Å; V211-K215 WeakPolarHBondContact O-CB 3.33Å; V211-K215 PolarHBondContact O-N 2.94Å; R212-K215 WeakPolarHBondContact O-CB 3.46Å; R212-K215 PolarHBondContact O-N 3.15Å; D213-K215 VanDerWaalsContact C-N 3.28Å; D213-K215 PolarHBondContact O-N 3.11Å; K215-K217 PolarHBondContact O-N 3.42Å; K215-C219 WeakPolarHBondContact O-CB 3.48Å; K215-C219 PolarHBondContact O-N 2.8Å; K215-C219 VanDerWaalsContact O-N 3.14Å; K215-Y308 VanDerWaalsContact CD-OH 3.24Å; K215-Y308 WeakPolarHBondContact CD-OH 3.34Å; K215-Y308 HydrophobicContact CG-CE1 4.3Å; K215-Y308 WeakPolarHBondContact CG-OH 3.17Å |
| 216 | E | 98.2 | Very high | 97.3 | Very high | 113 Ų | 113 | 45.2 Ų | 45.2 | 53% | 0.528 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.8 | -33 | -176.2 | -72.1 | 173.3 | -158.6 | 0 | 0 | 113 | R212 D213 | R212-E216 WeakPolarHBondContact CG-OE1 3.33Å; R212-E216 IonicContact CZ-OE1 3.23Å; R212-E216 IonicContact NH1-OE1 2.98Å; R212-E216 PolarHBondContact NH1-OE1 3.06Å; R212-E216 IonicContact NH1-OE2 3.81Å; R212-E216 PolarHBondContact NH1-OE2 2.95Å; R212-E216 WeakPolarHBondContact O-CG 3.32Å; R212-E216 PolarHBondContact O-N 2.88Å; D213-E216 PolarHBondContact O-N 3.49Å |
| 217 | K | 98.3 | Very high | 97.7 | Very high | 135 Ų | 135 | 47.3 Ų | 47.3 | 59% | 0.587 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -85.2 | -37.8 | -178.8 | -73 | -179.3 | -177.5 | 159.3 | 0 | 114.2 | D213 I214 K215 Y242 | D213-K217 VanDerWaalsContact CG-NZ 3.31Å; D213-K217 WeakPolarHBondContact O-CB 3.47Å; D213-K217 WeakPolarHBondContact O-CG 3.31Å; D213-K217 PolarHBondContact O-N 3.39Å; D213-K217 WeakPolarHBondContact OD1-CE 3.49Å; D213-K217 IonicContact OD1-NZ 3.08Å; D213-K217 PolarHBondContact OD1-NZ 3.48Å; D213-K217 VanDerWaalsContact OD1-NZ 3.16Å; D213-K217 VanDerWaalsContact OD2-CD 3.26Å; D213-K217 WeakPolarHBondContact OD2-CD 3.39Å; D213-K217 WeakPolarHBondContact OD2-CE 3.44Å; D213-K217 IonicContact OD2-NZ 3.88Å; D213-K217 PolarHBondContact OD2-NZ 2.95Å; I214-K217 PolarHBondContact O-N 3.15Å; K215-K217 PolarHBondContact O-N 3.42Å; K217-Y242 HydrophobicContact CD-CE2 4.37Å |
| 218 | L | 98.5 | Very high | 97.9 | Very high | 27 Ų | 27 | 46.4 Ų | 46.4 | 14% | 0.141 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -114.5 | -23.3 | -164.7 | -58.9 | -174 | 0 | 0 | 0 | 114.1 | I214 K240 Y242 I252 R256 | I214-L218 HydrophobicContact CG2-CD1 4.37Å; I214-L218 WeakPolarHBondContact O-CB 3.35Å; I214-L218 PolarHBondContact O-N 2.81Å; L218-K240 HydrophobicContact CD1-CB 4.23Å; L218-K240 HydrophobicContact CD2-CB 4.17Å; L218-Y242 HydrophobicContact CD1-CD2 4Å; L218-Y242 HydrophobicContact CD1-CG 4.39Å; L218-I252 HydrophobicContact CD1-CB 4.39Å; L218-I252 HydrophobicContact CD1-CG1 3.86Å; L218-R256 HydrophobicContact CB-CG 4.44Å; L218-R256 VanDerWaalsContact O-CZ 3.29Å; L218-R256 PolarHBondContact O-NE 3Å; L218-R256 PolarHBondContact O-NH2 3.28Å |
| 219 | C | 98.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.027 | 23% | 0.225 | C | C | . | . | trans | -80.2 | 153 | -177.2 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | K215 R256 P260 Y308 | K215-C219 WeakPolarHBondContact O-CB 3.48Å; K215-C219 PolarHBondContact O-N 2.8Å; K215-C219 VanDerWaalsContact O-N 3.14Å; C219-R256 CarbonylContact C-O 3.25Å; C219-R256 WeakPolarHBondContact CA-O 3.39Å; C219-R256 WeakPolarHBondContact CB-O 3.27Å; C219-P260 HydrophobicContact CB-CG 4.49Å; C219-Y308 HydrophobicContact CB-CD1 4.16Å; C219-Y308 HydrophobicContact CB-CE1 3.62Å | ||
| 220 | Y | 98.8 | Very high | 98.2 | Very high | 32 Ų | 32 | 48.4 Ų | 48.4 | 13% | 0.125 | 24% | 0.241 | C | C | . | . | trans | -156.4 | 158.2 | -177.9 | 65.3 | -81.9 | 0 | 0 | 0 | 110.2 | E228 R256 F257 P260 | Y220-E228 PolarHBondContact OH-OE1 3.04Å; Y220-R256 HydrophobicContact CD1-CB 4.07Å; Y220-R256 HydrophobicContact CE1-CB 3.74Å; Y220-R256 PolarHBondContact N-O 2.93Å; Y220-F257 HydrophobicContact CD2-CB 4.39Å; Y220-F257 HydrophobicContact CE1-CB 4.27Å; Y220-F257 HydrophobicContact CE1-CD1 4.39Å; Y220-F257 HydrophobicContact CE2-CB 3.97Å; Y220-F257 AromaticContact CZ-CD1 3.88Å; Y220-F257 VanDerWaalsContact O-CA 3.29Å; Y220-F257 WeakPolarHBondContact O-CA 3.43Å; Y220-F257 WeakPolarHBondContact O-CB 3.21Å; Y220-F257 WeakPolarHBondContact OH-CD1 3.19Å; Y220-P260 WeakPolarHBondContact O-CG 3.42Å | ||
| 221 | V | 98.9 | Very high | 98.3 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.024 | 25% | 0.246 | C | C | . | . | trans | -89.8 | 124.7 | 176.2 | 173.1 | 0 | 0 | 0 | 0 | 109.2 | P260 F264 Y308 P309 I311 R314 | V221-P260 HydrophobicContact CG2-CB 3.89Å; V221-P260 HydrophobicContact CG2-CG 4.29Å; V221-F264 HydrophobicContact CG1-CD2 4.39Å; V221-F264 HydrophobicContact CG1-CE2 3.62Å; V221-F264 HydrophobicContact CG1-CZ 4.05Å; V221-F264 HydrophobicContact CG2-CE2 4.07Å; V221-Y308 HydrophobicContact CG2-CD2 4.42Å; V221-Y308 HydrophobicContact CG2-CG 4.37Å; V221-P309 PolarHBondContact N-O 3.13Å; V221-I311 HydrophobicContact CB-CB 4.31Å; V221-I311 HydrophobicContact CG2-CB 3.93Å; V221-I311 HydrophobicContact CG2-CG1 4.12Å; V221-R314 HydrophobicContact CG1-CB 3.48Å; V221-R314 VanDerWaalsContact CG1-CB 3.48Å; V221-R314 HydrophobicContact CG1-CG 3.69Å | ||
| 222 | A | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | trans | -73.7 | 141.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | D224 E228 F257 R314 | A222-D224 VanDerWaalsContact C-N 3.33Å; A222-E228 HydrophobicContact CB-CB 3.73Å; A222-E228 HydrophobicContact CB-CG 3.79Å; A222-F257 HydrophobicContact CB-CB 4.22Å; A222-F257 HydrophobicContact CB-CD2 4.33Å; A222-F257 HydrophobicContact CB-CG 4.47Å; A222-R314 WeakPolarHBondContact O-CD 3.28Å; A222-R314 PolarHBondContact O-NH1 2.89Å | ||
| 223 | L | 98.5 | Very high | 98.1 | Very high | 92 Ų | 92 | 51 Ų | 51 | 48% | 0.482 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -70 | -33.9 | 174.7 | -176 | 65 | 0 | 0 | 0 | 111.7 | D313 R314 K317 | L223-D313 HydrophobicContact CD1-CB 4.16Å; L223-R314 WeakPolarHBondContact O-CD 3.48Å; L223-K317 HydrophobicContact CD1-CB 4.1Å; L223-K317 HydrophobicContact CD1-CD 3.93Å; L223-K317 HydrophobicContact CG-CD 4.2Å; L223-K317 WeakPolarHBondContact O-CD 3.37Å; L223-K317 PolarHBondContact O-NZ 3.36Å |
| 224 | D | 98.4 | Very high | 98.1 | Very high | 65 Ų | 65 | 54 Ų | 54 | 35% | 0.348 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -138.3 | 105.5 | 175.7 | -166.5 | -65.2 | 0 | 0 | 0 | 108.8 | A222 E226 N227 E228 K317 | A222-D224 VanDerWaalsContact C-N 3.33Å; D224-E226 PolarHBondContact O-N 2.85Å; D224-E226 PolarHBondContact OD1-N 3.34Å; D224-N227 HydrophobicContact CB-CB 4.02Å; D224-N227 PolarHBondContact O-N 2.73Å; D224-N227 PolarHBondContact OD1-N 3.01Å; D224-N227 VanDerWaalsContact OD1-N 3.09Å; D224-E228 WeakPolarHBondContact O-CB 3.2Å; D224-E228 PolarHBondContact O-N 3.31Å; D224-K317 IonicContact OD2-NZ 2.77Å; D224-K317 PolarHBondContact OD2-NZ 2.78Å; D224-K317 VanDerWaalsContact OD2-NZ 3.08Å |
| 225 | F | 98.1 | Very high | 97.8 | Very high | 17 Ų | 17 | 56.4 Ų | 56.4 | 8% | 0.075 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.6 | -43.6 | -171.9 | 178.1 | -103.2 | 0 | 0 | 0 | 112.6 | E228 M229 F257 R258 E261 F268 | F225-E228 PolarHBondContact O-N 3.34Å; F225-M229 HydrophobicContact CD1-CG 4.28Å; F225-M229 HydrophobicContact CE1-CG 3.8Å; F225-M229 HydrophobicContact CE2-CG 4.11Å; F225-M229 HydrophobicContact CE2-SD 4.38Å; F225-M229 HydrophobicContact CZ-CG 3.7Å; F225-M229 HydrophobicContact CZ-SD 4.04Å; F225-M229 WeakPolarHBondContact O-CB 3.31Å; F225-M229 WeakPolarHBondContact O-CG 3.1Å; F225-M229 PolarHBondContact O-N 3.27Å; F225-F257 AromaticContact CD2-CD2 3.94Å; F225-F257 HydrophobicContact CD2-CD2 3.94Å; F225-F257 HydrophobicContact CD2-CE2 4.18Å; F225-F257 AromaticContact CE2-CD2 3.86Å; F225-F257 HydrophobicContact CE2-CD2 3.86Å; F225-F257 AromaticContact CE2-CE2 3.94Å; F225-F257 HydrophobicContact CE2-CE2 3.94Å; F225-R258 HydrophobicContact CE2-CG 3.93Å; F225-R258 HydrophobicContact CZ-CG 4.07Å; F225-E261 HydrophobicContact CB-CG 4.4Å; F225-E261 HydrophobicContact CD1-CG 4.39Å; F225-E261 HydrophobicContact CD2-CB 3.82Å; F225-E261 HydrophobicContact CD2-CG 3.42Å; F225-E261 VanDerWaalsContact CD2-CG 3.42Å; F225-E261 HydrophobicContact CE2-CB 3.83Å; F225-E261 HydrophobicContact CE2-CG 3.7Å; F225-E261 HydrophobicContact CG-CG 3.81Å; F225-E261 HydrophobicContact CZ-CG 4.28Å; F225-F268 AromaticContact CE1-CE2 3.8Å; F225-F268 HydrophobicContact CE1-CE2 3.8Å; F225-F268 AromaticContact CE1-CZ 3.82Å; F225-F268 HydrophobicContact CE1-CZ 3.82Å; F225-F268 HydrophobicContact CE2-CE2 4.31Å; F225-F268 AromaticContact CZ-CE2 3.64Å; F225-F268 HydrophobicContact CZ-CE2 3.64Å; F225-F268 HydrophobicContact CZ-CZ 4.12Å |
| 226 | E | 97.9 | Very high | 97.6 | Very high | 125 Ų | 125 | 60 Ų | 60 | 58% | 0.584 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -67.7 | -41.8 | -177.7 | -63.1 | -57.6 | 150.9 | 0 | 0 | 111.6 | D224 M229 A230 | D224-E226 PolarHBondContact O-N 2.85Å; D224-E226 PolarHBondContact OD1-N 3.34Å; E226-M229 WeakPolarHBondContact O-CB 3.43Å; E226-M229 PolarHBondContact O-N 2.88Å; E226-A230 PolarHBondContact O-N 3.47Å |
| 227 | N | 97.9 | Very high | 97.5 | Very high | 101 Ų | 101 | 58.4 Ų | 58.4 | 54% | 0.54 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 175.2 | -175.3 | 47.6 | 0 | 0 | 0 | 112.3 | D224 M229 A230 T231 | D224-N227 HydrophobicContact CB-CB 4.02Å; D224-N227 PolarHBondContact O-N 2.73Å; D224-N227 PolarHBondContact OD1-N 3.01Å; D224-N227 VanDerWaalsContact OD1-N 3.09Å; N227-M229 VanDerWaalsContact C-N 3.34Å; N227-A230 PolarHBondContact O-N 3.14Å; N227-T231 PolarHBondContact O-N 2.83Å; N227-T231 PolarHBondContact O-OG1 3.28Å |
| 228 | E | 98.2 | Very high | 97.4 | Very high | 38 Ų | 38 | 53.2 Ų | 53.2 | 18% | 0.178 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 176 | -155.1 | 76.6 | -138.2 | 0 | 0 | 111 | Y220 A222 D224 F225 T231 A232 L238 F257 | Y220-E228 PolarHBondContact OH-OE1 3.04Å; A222-E228 HydrophobicContact CB-CB 3.73Å; A222-E228 HydrophobicContact CB-CG 3.79Å; D224-E228 WeakPolarHBondContact O-CB 3.2Å; D224-E228 PolarHBondContact O-N 3.31Å; F225-E228 PolarHBondContact O-N 3.34Å; E228-T231 PolarHBondContact O-N 3.32Å; E228-A232 WeakPolarHBondContact O-CB 3.37Å; E228-A232 PolarHBondContact O-N 2.91Å; E228-L238 HydrophobicContact CG-CD1 4.03Å; E228-L238 WeakPolarHBondContact OE1-CD1 3.43Å; E228-L238 VanDerWaalsContact OE1-CD2 3.29Å; E228-L238 WeakPolarHBondContact OE1-CD2 3.45Å; E228-F257 HydrophobicContact CB-CD2 4.09Å; E228-F257 HydrophobicContact CB-CE1 4.43Å; E228-F257 HydrophobicContact CB-CE2 3.82Å; E228-F257 HydrophobicContact CB-CZ 4Å; E228-F257 HydrophobicContact CG-CD1 3.72Å; E228-F257 HydrophobicContact CG-CD2 3.91Å; E228-F257 HydrophobicContact CG-CE1 3.67Å; E228-F257 HydrophobicContact CG-CE2 3.87Å; E228-F257 HydrophobicContact CG-CG 3.83Å; E228-F257 HydrophobicContact CG-CZ 3.75Å |
| 229 | M | 98 | Very high | 97.4 | Very high | 55 Ų | 55 | 55.7 Ų | 55.7 | 27% | 0.271 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 172.4 | -79.8 | -59.4 | -64.5 | 0 | 0 | 112.3 | F225 E226 N227 T231 A232 A233 N254 F257 R258 | F225-M229 HydrophobicContact CD1-CG 4.28Å; F225-M229 HydrophobicContact CE1-CG 3.8Å; F225-M229 HydrophobicContact CE2-CG 4.11Å; F225-M229 HydrophobicContact CE2-SD 4.38Å; F225-M229 HydrophobicContact CZ-CG 3.7Å; F225-M229 HydrophobicContact CZ-SD 4.04Å; F225-M229 WeakPolarHBondContact O-CB 3.31Å; F225-M229 WeakPolarHBondContact O-CG 3.1Å; F225-M229 PolarHBondContact O-N 3.27Å; E226-M229 WeakPolarHBondContact O-CB 3.43Å; E226-M229 PolarHBondContact O-N 2.88Å; N227-M229 VanDerWaalsContact C-N 3.34Å; M229-T231 VanDerWaalsContact C-N 3.3Å; M229-T231 PolarHBondContact O-N 2.91Å; M229-A232 PolarHBondContact O-N 2.9Å; M229-A233 WeakPolarHBondContact O-CB 3.4Å; M229-A233 PolarHBondContact O-N 3.28Å; M229-N254 HydrophobicContact SD-CB 4.25Å; M229-F257 HydrophobicContact CG-CE2 3.83Å; M229-F257 HydrophobicContact CG-CZ 4.3Å; M229-F257 HydrophobicContact SD-CE2 3.57Å; M229-F257 VanDerWaalsContact SD-CE2 3.57Å; M229-F257 HydrophobicContact SD-CZ 3.76Å; M229-R258 HydrophobicContact SD-CG 3.95Å |
| 230 | A | 98.1 | Very high | 97.3 | Very high | 58 Ų | 58 | 60.6 Ų | 60.6 | 48% | 0.479 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E226 N227 A233 S234 | E226-A230 PolarHBondContact O-N 3.47Å; N227-A230 PolarHBondContact O-N 3.14Å; A230-A233 PolarHBondContact O-N 2.63Å; A230-S234 PolarHBondContact O-N 3.07Å; A230-S234 PolarHBondContact O-OG 3.43Å |
| 231 | T | 97.7 | Very high | 97.3 | Very high | 43 Ų | 43 | 63.2 Ų | 63.2 | 26% | 0.264 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 175.2 | -57.8 | 0 | 0 | 0 | 0 | 111 | N227 E228 M229 A233 S234 S235 L238 | N227-T231 PolarHBondContact O-N 2.83Å; N227-T231 PolarHBondContact O-OG1 3.28Å; E228-T231 PolarHBondContact O-N 3.32Å; M229-T231 VanDerWaalsContact C-N 3.3Å; M229-T231 PolarHBondContact O-N 2.91Å; T231-A233 VanDerWaalsContact C-N 3.27Å; T231-A233 PolarHBondContact O-N 3.22Å; T231-S234 PolarHBondContact O-N 2.79Å; T231-S234 PolarHBondContact O-OG 3.4Å; T231-S235 PolarHBondContact O-N 3.06Å; T231-L238 HydrophobicContact CG2-CD1 3.88Å; T231-L238 HydrophobicContact CG2-CG 4.18Å |
| 232 | A | 96.9 | Very high | 97.2 | Very high | 24 Ų | 24 | 64.5 Ų | 64.5 | 20% | 0.198 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.3 | -30 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | E228 M229 L238 N254 F257 | E228-A232 WeakPolarHBondContact O-CB 3.37Å; E228-A232 PolarHBondContact O-N 2.91Å; M229-A232 PolarHBondContact O-N 2.9Å; A232-L238 HydrophobicContact CB-CD1 3.99Å; A232-N254 HydrophobicContact CB-CB 3.89Å; A232-F257 HydrophobicContact CB-CE1 4.01Å; A232-F257 HydrophobicContact CB-CZ 3.92Å |
| 233 | A | 96.5 | Very high | 97.2 | Very high | 92 Ų | 92 | 71 Ų | 71 | 76% | 0.76 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -76 | -24.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | M229 A230 T231 | M229-A233 WeakPolarHBondContact O-CB 3.4Å; M229-A233 PolarHBondContact O-N 3.28Å; A230-A233 PolarHBondContact O-N 2.63Å; T231-A233 VanDerWaalsContact C-N 3.27Å; T231-A233 PolarHBondContact O-N 3.22Å |
| 234 | S | 96 | Very high | 97.1 | Very high | 101 Ų | 101 | 67.5 Ų | 67.5 | 71% | 0.706 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -105.9 | -13.9 | -174.9 | 56.4 | 0 | 0 | 0 | 0 | 114.2 | A230 T231 | A230-S234 PolarHBondContact O-N 3.07Å; A230-S234 PolarHBondContact O-OG 3.43Å; T231-S234 PolarHBondContact O-N 2.79Å; T231-S234 PolarHBondContact O-OG 3.4Å |
| 235 | S | 93.7 | Very high | 96.9 | Very high | 49 Ų | 49 | 69.6 Ų | 69.6 | 34% | 0.343 | 41% | 0.414 | S | S | . | . | trans | -147.6 | 143.8 | -173.8 | 178 | 0 | 0 | 0 | 0 | 112.1 | T231 S237 | T231-S235 PolarHBondContact O-N 3.06Å; S235-S237 VanDerWaalsContact C-N 3.25Å; S235-S237 PolarHBondContact O-N 2.84Å; S235-S237 VanDerWaalsContact OG-CB 3.23Å; S235-S237 WeakPolarHBondContact OG-CB 3.38Å; S235-S237 PolarHBondContact OG-N 2.78Å; S235-S237 PolarHBondContact OG-OG 2.89Å | ||
| 236 | S | 94.5 | Very high | 96.6 | Very high | 84 Ų | 84 | 74.4 Ų | 74.4 | 59% | 0.587 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -83.2 | 4 | 169.6 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | L238 E239 | S236-L238 PolarHBondContact O-N 3.33Å; S236-L238 VanDerWaalsContact O-N 3.07Å; S236-E239 WeakPolarHBondContact CB-OE2 3.31Å; S236-E239 WeakPolarHBondContact O-CB 3.34Å; S236-E239 PolarHBondContact O-N 3.39Å |
| 237 | S | 95.7 | Very high | 96.5 | Very high | 80 Ų | 80 | 70.3 Ų | 70.3 | 56% | 0.559 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -60.2 | -22.3 | -177 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | S235 | S235-S237 VanDerWaalsContact C-N 3.25Å; S235-S237 PolarHBondContact O-N 2.84Å; S235-S237 VanDerWaalsContact OG-CB 3.23Å; S235-S237 WeakPolarHBondContact OG-CB 3.38Å; S235-S237 PolarHBondContact OG-N 2.78Å; S235-S237 PolarHBondContact OG-OG 2.89Å |
| 238 | L | 96.4 | Very high | 96.4 | Very high | 25 Ų | 25 | 70.4 Ų | 70.4 | 13% | 0.131 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -90.4 | -6.8 | 177.9 | -58.3 | -179.3 | 0 | 0 | 0 | 113 | E228 T231 A232 S236 R256 F257 | E228-L238 HydrophobicContact CG-CD1 4.03Å; E228-L238 WeakPolarHBondContact OE1-CD1 3.43Å; E228-L238 VanDerWaalsContact OE1-CD2 3.29Å; E228-L238 WeakPolarHBondContact OE1-CD2 3.45Å; T231-L238 HydrophobicContact CG2-CD1 3.88Å; T231-L238 HydrophobicContact CG2-CG 4.18Å; A232-L238 HydrophobicContact CB-CD1 3.99Å; S236-L238 PolarHBondContact O-N 3.33Å; S236-L238 VanDerWaalsContact O-N 3.07Å; L238-R256 PolarHBondContact O-NH1 2.71Å; L238-F257 HydrophobicContact CD1-CE1 4.08Å |
| 239 | E | 97.6 | Very high | 96.4 | Very high | 79 Ų | 79 | 72.7 Ų | 72.7 | 37% | 0.369 | 45% | 0.445 | S | S | . | . | trans | -74.4 | 146.1 | 179.9 | -60.1 | -169 | 139 | 0 | 0 | 111.8 | R198 S236 T251 I252 | R198-E239 IonicContact CZ-OE1 3.33Å; R198-E239 IonicContact NH2-OE1 2.85Å; R198-E239 PolarHBondContact NH2-OE1 3.2Å; S236-E239 WeakPolarHBondContact CB-OE2 3.31Å; S236-E239 WeakPolarHBondContact O-CB 3.34Å; S236-E239 PolarHBondContact O-N 3.39Å; E239-T251 HydrophobicContact CB-CG2 3.8Å; E239-T251 HydrophobicContact CG-CG2 4.2Å; E239-I252 WeakPolarHBondContact CA-O 3.46Å | ||
| 240 | K | 98.1 | Very high | 96.3 | Very high | 108 Ų | 108 | 70.1 Ų | 70.1 | 47% | 0.47 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 139.6 | 172.3 | -69.5 | -68 | 178.6 | -178.1 | 0 | 110.3 | L218 I252 R256 | L218-K240 HydrophobicContact CD1-CB 4.23Å; L218-K240 HydrophobicContact CD2-CB 4.17Å; K240-I252 PolarHBondContact N-O 3.2Å; K240-I252 PolarHBondContact O-N 3.03Å; K240-R256 VanDerWaalsContact CG-NH1 3.33Å |
| 241 | S | 97.4 | Very high | 96.3 | Very high | 86 Ų | 86 | 69.6 Ų | 69.6 | 60% | 0.601 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 144.4 | 170.8 | 54.5 | 0 | 0 | 0 | 0 | 111 | I250 | S241-I250 CarbonylContact C-O 3.17Å; S241-I250 VanDerWaalsContact CA-O 3.32Å; S241-I250 WeakPolarHBondContact CA-O 3.49Å |
| 242 | Y | 98.2 | Very high | 96.3 | Very high | 31 Ų | 31 | 67.6 Ų | 67.6 | 12% | 0.122 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 132.6 | 171.2 | -176.7 | -86.3 | 0 | 0 | 0 | 109.1 | I210 D213 I214 K217 L218 L244 V249 I250 | I210-Y242 HydrophobicContact CG2-CE1 3.85Å; D213-Y242 WeakPolarHBondContact OD2-CE2 3.45Å; D213-Y242 PolarHBondContact OD2-OH 3.03Å; I214-Y242 HydrophobicContact CD1-CD1 3.99Å; I214-Y242 HydrophobicContact CD1-CE1 4.15Å; I214-Y242 HydrophobicContact CD1-CG 4.3Å; I214-Y242 HydrophobicContact CG1-CD1 3.75Å; I214-Y242 HydrophobicContact CG1-CD2 3.67Å; I214-Y242 HydrophobicContact CG1-CE1 3.78Å; I214-Y242 HydrophobicContact CG1-CE2 3.67Å; I214-Y242 HydrophobicContact CG1-CG 3.71Å; K217-Y242 HydrophobicContact CD-CE2 4.37Å; L218-Y242 HydrophobicContact CD1-CD2 4Å; L218-Y242 HydrophobicContact CD1-CG 4.39Å; Y242-L244 HydrophobicContact CD1-CD2 4.08Å; Y242-L244 HydrophobicContact CE1-CD2 4.04Å; Y242-V249 WeakPolarHBondContact O-CA 3.37Å; Y242-I250 HydrophobicContact CD1-CD1 4.49Å; Y242-I250 HydrophobicContact CD1-CG1 4.37Å; Y242-I250 PolarHBondContact N-O 3.45Å; Y242-I250 PolarHBondContact O-N 2.98Å |
| 243 | E | 98 | Very high | 96.4 | Very high | 138 Ų | 138 | 66.5 Ų | 66.5 | 65% | 0.645 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 119.2 | 177.8 | -171.1 | 177.2 | 163.9 | 0 | 0 | 109.9 | V249 | E243-V249 HydrophobicContact CB-CG2 4.46Å; E243-V249 HydrophobicContact CG-CG2 4.38Å |
| 244 | L | 96.1 | Very high | 96.4 | Very high | 18 Ų | 18 | 63.9 Ų | 63.9 | 9% | 0.094 | 38% | 0.376 | C | S | . | . | trans | -73 | 158.9 | 175.2 | -65.1 | 179.3 | 0 | 0 | 0 | 110.8 | F202 I210 Y242 D246 G247 Q248 I250 | F202-L244 HydrophobicContact CE1-CD2 4.04Å; F202-L244 HydrophobicContact CZ-CD2 4.16Å; I210-L244 HydrophobicContact CG2-CD2 3.68Å; Y242-L244 HydrophobicContact CD1-CD2 4.08Å; Y242-L244 HydrophobicContact CE1-CD2 4.04Å; L244-D246 WeakPolarHBondContact CB-OD1 3.38Å; L244-D246 PolarHBondContact O-N 3.1Å; L244-G247 WeakPolarHBondContact O-CA 3.44Å; L244-G247 PolarHBondContact O-N 3.07Å; L244-Q248 HydrophobicContact CB-CB 4.42Å; L244-Q248 VanDerWaalsContact CB-O 3.3Å; L244-Q248 WeakPolarHBondContact CB-O 3.4Å; L244-Q248 HydrophobicContact CD1-CB 4.18Å; L244-Q248 HydrophobicContact CD1-CG 4.38Å; L244-Q248 WeakPolarHBondContact CG-O 3.36Å; L244-Q248 PolarHBondContact N-O 3.27Å; L244-I250 HydrophobicContact CD1-CG2 3.73Å; L244-I250 HydrophobicContact CD2-CD1 3.9Å; L244-I250 HydrophobicContact CD2-CG1 4.4Å; L244-I250 HydrophobicContact CG-CD1 4.29Å; L244-I250 HydrophobicContact CG-CG1 4.34Å; L244-I250 HydrophobicContact CG-CG2 4.17Å | ||
| 245 | P | 93.3 | Very high | 96.6 | Very high | 109 Ų | 109 | 59.4 Ų | 59.4 | 71% | 0.708 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -19.3 | -179.5 | -26.5 | 36.1 | 0 | 0 | 0 | 115.7 | I210 G247 | I210-P245 HydrophobicContact CD1-CG 3.83Å; I210-P245 HydrophobicContact CG1-CG 4.19Å; P245-G247 VanDerWaalsContact C-N 3.31Å |
| 246 | D | 93.5 | Very high | 96.8 | Very high | 118 Ų | 118 | 58.6 Ų | 58.6 | 63% | 0.631 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 2 | 174.7 | 63.1 | -0.6 | 0 | 0 | 0 | 113.3 | L244 Q248 | L244-D246 WeakPolarHBondContact CB-OD1 3.38Å; L244-D246 PolarHBondContact O-N 3.1Å; D246-Q248 VanDerWaalsContact C-N 3.33Å; D246-Q248 VanDerWaalsContact OD1-CB 3.28Å; D246-Q248 WeakPolarHBondContact OD1-CB 2.93Å; D246-Q248 PolarHBondContact OD1-N 3.26Å |
| 247 | G | 95.2 | Very high | 97 | Very high | 40 Ų | 40 | 54.6 Ų | 54.6 | 41% | 0.412 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 85.8 | -3.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L244 P245 V249 | L244-G247 WeakPolarHBondContact O-CA 3.44Å; L244-G247 PolarHBondContact O-N 3.07Å; P245-G247 VanDerWaalsContact C-N 3.31Å; G247-V249 PolarHBondContact O-N 2.95Å |
| 248 | Q | 95.8 | Very high | 97.1 | Very high | 102 Ų | 102 | 53 Ų | 53 | 48% | 0.477 | 29% | 0.287 | S | S | . | . | trans | -68.8 | 128.7 | 175.7 | -179.9 | -179.9 | -5.6 | 0 | 0 | 110.3 | L244 D246 I250 | L244-Q248 HydrophobicContact CB-CB 4.42Å; L244-Q248 VanDerWaalsContact CB-O 3.3Å; L244-Q248 WeakPolarHBondContact CB-O 3.4Å; L244-Q248 HydrophobicContact CD1-CB 4.18Å; L244-Q248 HydrophobicContact CD1-CG 4.38Å; L244-Q248 WeakPolarHBondContact CG-O 3.36Å; L244-Q248 PolarHBondContact N-O 3.27Å; D246-Q248 VanDerWaalsContact C-N 3.33Å; D246-Q248 VanDerWaalsContact OD1-CB 3.28Å; D246-Q248 WeakPolarHBondContact OD1-CB 2.93Å; D246-Q248 PolarHBondContact OD1-N 3.26Å; Q248-I250 HydrophobicContact CG-CG2 4.38Å | ||
| 249 | V | 97.4 | Very high | 97.2 | Very high | 87 Ų | 87 | 51.8 Ų | 51.8 | 53% | 0.527 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 123.9 | 174.7 | -177 | 0 | 0 | 0 | 0 | 110 | Y242 E243 G247 | Y242-V249 WeakPolarHBondContact O-CA 3.37Å; E243-V249 HydrophobicContact CB-CG2 4.46Å; E243-V249 HydrophobicContact CG-CG2 4.38Å; G247-V249 PolarHBondContact O-N 2.95Å |
| 250 | I | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 156.6 | 174.7 | 63.3 | 171 | 0 | 0 | 0 | 110.7 | Y200 F202 I214 S241 Y242 L244 Q248 I252 | Y200-I250 HydrophobicContact CD1-CB 4.27Å; Y200-I250 HydrophobicContact CD1-CG2 3.78Å; Y200-I250 HydrophobicContact CD2-CB 4.36Å; Y200-I250 HydrophobicContact CE1-CB 3.85Å; Y200-I250 HydrophobicContact CE1-CG2 3.53Å; Y200-I250 HydrophobicContact CE2-CB 3.95Å; Y200-I250 HydrophobicContact CE2-CG2 4.49Å; Y200-I250 HydrophobicContact CG-CG2 4.38Å; F202-I250 HydrophobicContact CZ-CD1 3.96Å; I214-I250 HydrophobicContact CD1-CD1 4Å; S241-I250 CarbonylContact C-O 3.17Å; S241-I250 VanDerWaalsContact CA-O 3.32Å; S241-I250 WeakPolarHBondContact CA-O 3.49Å; Y242-I250 HydrophobicContact CD1-CD1 4.49Å; Y242-I250 HydrophobicContact CD1-CG1 4.37Å; Y242-I250 PolarHBondContact N-O 3.45Å; Y242-I250 PolarHBondContact O-N 2.98Å; L244-I250 HydrophobicContact CD1-CG2 3.73Å; L244-I250 HydrophobicContact CD2-CD1 3.9Å; L244-I250 HydrophobicContact CD2-CG1 4.4Å; L244-I250 HydrophobicContact CG-CD1 4.29Å; L244-I250 HydrophobicContact CG-CG1 4.34Å; L244-I250 HydrophobicContact CG-CG2 4.17Å; Q248-I250 HydrophobicContact CG-CG2 4.38Å; I250-I252 HydrophobicContact CD1-CD1 3.67Å; I250-I252 HydrophobicContact CG1-CD1 3.95Å |
| 251 | T | 97.6 | Very high | 97.3 | Very high | 48 Ų | 48 | 42.9 Ų | 42.9 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 123 | 179.8 | -59.3 | 0 | 0 | 0 | 0 | 110.4 | R198 Y200 E239 | R198-T251 PolarHBondContact NE-O 3.13Å; Y200-T251 WeakPolarHBondContact CE2-O 3.46Å; Y200-T251 PolarHBondContact OH-N 2.63Å; E239-T251 HydrophobicContact CB-CG2 3.8Å; E239-T251 HydrophobicContact CG-CG2 4.2Å |
| 252 | I | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.4 | 177.4 | -38.3 | -60 | 0 | 0 | 0 | 108.3 | L195 I214 L218 E239 K240 I250 E255 R256 | L195-I252 HydrophobicContact CD2-CD1 3.73Å; L195-I252 HydrophobicContact CD2-CG2 4.16Å; I214-I252 HydrophobicContact CD1-CD1 4.43Å; I214-I252 HydrophobicContact CG2-CD1 4.19Å; I214-I252 HydrophobicContact CG2-CG1 4.05Å; I214-I252 HydrophobicContact CG2-CG2 4.43Å; L218-I252 HydrophobicContact CD1-CB 4.39Å; L218-I252 HydrophobicContact CD1-CG1 3.86Å; E239-I252 WeakPolarHBondContact CA-O 3.46Å; K240-I252 PolarHBondContact N-O 3.2Å; K240-I252 PolarHBondContact O-N 3.03Å; I250-I252 HydrophobicContact CD1-CD1 3.67Å; I250-I252 HydrophobicContact CG1-CD1 3.95Å; I252-E255 HydrophobicContact CG2-CB 4.14Å; I252-R256 HydrophobicContact CB-CG 4.09Å; I252-R256 HydrophobicContact CG2-CG 3.62Å; I252-R256 WeakPolarHBondContact O-CD 3.5Å |
| 253 | G | 97.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | trans | -109.6 | -117 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E255 R256 | G253-E255 VanDerWaalsContact C-OE2 3.25Å; G253-E255 VanDerWaalsContact CA-OE2 3.31Å; G253-E255 WeakPolarHBondContact CA-OE2 3.47Å; G253-E255 PolarHBondContact N-OE2 3.13Å; G253-E255 PolarHBondContact O-N 3.3Å; G253-E255 VanDerWaalsContact O-N 3.16Å; G253-R256 WeakPolarHBondContact O-CB 3.34Å; G253-R256 WeakPolarHBondContact O-CG 3.45Å; G253-R256 PolarHBondContact O-N 3.04Å | ||
| 254 | N | 97.8 | Very high | 97.4 | Very high | 37 Ų | 37 | 30.9 Ų | 30.9 | 20% | 0.198 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -15.5 | -177 | 65.8 | 34.7 | 0 | 0 | 0 | 113.8 | M229 A232 R256 F257 R258 | M229-N254 HydrophobicContact SD-CB 4.25Å; A232-N254 HydrophobicContact CB-CB 3.89Å; N254-R256 PolarHBondContact O-N 3.22Å; N254-R256 VanDerWaalsContact O-N 3.11Å; N254-F257 VanDerWaalsContact CA-CE1 3.48Å; N254-F257 HydrophobicContact CB-CE1 3.68Å; N254-F257 HydrophobicContact CB-CE2 4.45Å; N254-F257 HydrophobicContact CB-CZ 3.61Å; N254-F257 PolarHBondContact O-N 2.88Å; N254-F257 VanDerWaalsContact O-N 3.14Å; N254-R258 WeakPolarHBondContact O-CB 3.35Å; N254-R258 WeakPolarHBondContact O-CG 3.47Å; N254-R258 PolarHBondContact O-N 3.09Å; N254-R258 WeakPolarHBondContact OD1-CD 3.43Å; N254-R258 PolarHBondContact OD1-NH1 2.75Å |
| 255 | E | 98.3 | Very high | 97.5 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 3% | 0.033 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.9 | -27.6 | 174.7 | -55.2 | 78 | -163.3 | 0 | 0 | 111.3 | L191 I194 L195 R198 I252 G253 F257 C259 | L191-E255 HydrophobicContact CD1-CB 3.92Å; I194-E255 HydrophobicContact CB-CG 4.17Å; I194-E255 HydrophobicContact CD1-CB 3.68Å; I194-E255 HydrophobicContact CD1-CG 4.02Å; I194-E255 HydrophobicContact CG1-CB 3.87Å; I194-E255 HydrophobicContact CG1-CG 3.78Å; L195-E255 HydrophobicContact CD2-CB 4.39Å; L195-E255 HydrophobicContact CD2-CG 4.3Å; R198-E255 WeakPolarHBondContact CD-OE1 3.3Å; R198-E255 IonicContact CZ-OE1 2.88Å; R198-E255 IonicContact CZ-OE2 2.75Å; R198-E255 IonicContact NH1-OE1 3.69Å; R198-E255 PolarHBondContact NH1-OE1 3.29Å; R198-E255 VanDerWaalsContact NH1-OE1 3.08Å; R198-E255 IonicContact NH1-OE2 3.82Å; R198-E255 PolarHBondContact NH1-OE2 3.45Å; R198-E255 VanDerWaalsContact NH1-OE2 3.12Å; I252-E255 HydrophobicContact CG2-CB 4.14Å; G253-E255 VanDerWaalsContact C-OE2 3.25Å; G253-E255 VanDerWaalsContact CA-OE2 3.31Å; G253-E255 WeakPolarHBondContact CA-OE2 3.47Å; G253-E255 PolarHBondContact N-OE2 3.13Å; G253-E255 PolarHBondContact O-N 3.3Å; G253-E255 VanDerWaalsContact O-N 3.16Å; E255-F257 VanDerWaalsContact C-N 3.3Å; E255-F257 PolarHBondContact O-N 3.2Å; E255-C259 VanDerWaalsContact O-CB 3.27Å; E255-C259 WeakPolarHBondContact O-CB 3.32Å; E255-C259 PolarHBondContact O-N 2.93Å; E255-C259 VanDerWaalsContact O-N 3.1Å |
| 256 | R | 98.6 | Very high | 97.7 | Very high | 31 Ų | 31 | 28.1 Ų | 28.1 | 12% | 0.117 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.5 | -36.4 | 177.9 | -63.3 | 177.1 | 65.4 | -139.9 | -10 | 113.4 | L218 C219 Y220 L238 K240 I252 G253 N254 P260 | L218-R256 HydrophobicContact CB-CG 4.44Å; L218-R256 VanDerWaalsContact O-CZ 3.29Å; L218-R256 PolarHBondContact O-NE 3Å; L218-R256 PolarHBondContact O-NH2 3.28Å; C219-R256 CarbonylContact C-O 3.25Å; C219-R256 WeakPolarHBondContact CA-O 3.39Å; C219-R256 WeakPolarHBondContact CB-O 3.27Å; Y220-R256 HydrophobicContact CD1-CB 4.07Å; Y220-R256 HydrophobicContact CE1-CB 3.74Å; Y220-R256 PolarHBondContact N-O 2.93Å; L238-R256 PolarHBondContact O-NH1 2.71Å; K240-R256 VanDerWaalsContact CG-NH1 3.33Å; I252-R256 HydrophobicContact CB-CG 4.09Å; I252-R256 HydrophobicContact CG2-CG 3.62Å; I252-R256 WeakPolarHBondContact O-CD 3.5Å; G253-R256 WeakPolarHBondContact O-CB 3.34Å; G253-R256 WeakPolarHBondContact O-CG 3.45Å; G253-R256 PolarHBondContact O-N 3.04Å; N254-R256 PolarHBondContact O-N 3.22Å; N254-R256 VanDerWaalsContact O-N 3.11Å; R256-P260 WeakPolarHBondContact O-CD 3.39Å |
| 257 | F | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -111.9 | -23.3 | 179.7 | 64 | -94.5 | 0 | 0 | 0 | 113.3 | Y220 A222 F225 E228 M229 A232 L238 N254 E255 C259 P260 E261 | Y220-F257 HydrophobicContact CD2-CB 4.39Å; Y220-F257 HydrophobicContact CE1-CB 4.27Å; Y220-F257 HydrophobicContact CE1-CD1 4.39Å; Y220-F257 HydrophobicContact CE2-CB 3.97Å; Y220-F257 AromaticContact CZ-CD1 3.88Å; Y220-F257 VanDerWaalsContact O-CA 3.29Å; Y220-F257 WeakPolarHBondContact O-CA 3.43Å; Y220-F257 WeakPolarHBondContact O-CB 3.21Å; Y220-F257 WeakPolarHBondContact OH-CD1 3.19Å; A222-F257 HydrophobicContact CB-CB 4.22Å; A222-F257 HydrophobicContact CB-CD2 4.33Å; A222-F257 HydrophobicContact CB-CG 4.47Å; F225-F257 AromaticContact CD2-CD2 3.94Å; F225-F257 HydrophobicContact CD2-CD2 3.94Å; F225-F257 HydrophobicContact CD2-CE2 4.18Å; F225-F257 AromaticContact CE2-CD2 3.86Å; F225-F257 HydrophobicContact CE2-CD2 3.86Å; F225-F257 AromaticContact CE2-CE2 3.94Å; F225-F257 HydrophobicContact CE2-CE2 3.94Å; E228-F257 HydrophobicContact CB-CD2 4.09Å; E228-F257 HydrophobicContact CB-CE1 4.43Å; E228-F257 HydrophobicContact CB-CE2 3.82Å; E228-F257 HydrophobicContact CB-CZ 4Å; E228-F257 HydrophobicContact CG-CD1 3.72Å; E228-F257 HydrophobicContact CG-CD2 3.91Å; E228-F257 HydrophobicContact CG-CE1 3.67Å; E228-F257 HydrophobicContact CG-CE2 3.87Å; E228-F257 HydrophobicContact CG-CG 3.83Å; E228-F257 HydrophobicContact CG-CZ 3.75Å; M229-F257 HydrophobicContact CG-CE2 3.83Å; M229-F257 HydrophobicContact CG-CZ 4.3Å; M229-F257 HydrophobicContact SD-CE2 3.57Å; M229-F257 VanDerWaalsContact SD-CE2 3.57Å; M229-F257 HydrophobicContact SD-CZ 3.76Å; A232-F257 HydrophobicContact CB-CE1 4.01Å; A232-F257 HydrophobicContact CB-CZ 3.92Å; L238-F257 HydrophobicContact CD1-CE1 4.08Å; N254-F257 VanDerWaalsContact CA-CE1 3.48Å; N254-F257 HydrophobicContact CB-CE1 3.68Å; N254-F257 HydrophobicContact CB-CE2 4.45Å; N254-F257 HydrophobicContact CB-CZ 3.61Å; N254-F257 PolarHBondContact O-N 2.88Å; N254-F257 VanDerWaalsContact O-N 3.14Å; E255-F257 VanDerWaalsContact C-N 3.3Å; E255-F257 PolarHBondContact O-N 3.2Å; F257-C259 VanDerWaalsContact C-N 3.33Å; F257-C259 PolarHBondContact O-N 2.78Å; F257-P260 WeakPolarHBondContact O-CD 3.44Å; F257-E261 WeakPolarHBondContact O-CB 3.16Å; F257-E261 PolarHBondContact O-N 2.95Å |
| 258 | R | 98.5 | Very high | 97.9 | Very high | 47 Ų | 47 | 27.9 Ų | 27.9 | 18% | 0.177 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.7 | -39.4 | 169.8 | -74.1 | 173.7 | 66.2 | -156 | -2.3 | 112.6 | I194 E197 F225 M229 N254 E261 | I194-R258 HydrophobicContact CD1-CB 4.18Å; E197-R258 IonicContact OE2-NH1 3.92Å; E197-R258 IonicContact OE2-NH2 3.25Å; E197-R258 PolarHBondContact OE2-NH2 3.13Å; F225-R258 HydrophobicContact CE2-CG 3.93Å; F225-R258 HydrophobicContact CZ-CG 4.07Å; M229-R258 HydrophobicContact SD-CG 3.95Å; N254-R258 WeakPolarHBondContact O-CB 3.35Å; N254-R258 WeakPolarHBondContact O-CG 3.47Å; N254-R258 PolarHBondContact O-N 3.09Å; N254-R258 WeakPolarHBondContact OD1-CD 3.43Å; N254-R258 PolarHBondContact OD1-NH1 2.75Å; R258-E261 WeakPolarHBondContact O-CB 3.47Å; R258-E261 PolarHBondContact O-N 3.13Å |
| 259 | C | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.9 | -61.2 | 179.9 | 170.3 | 0 | 0 | 0 | 0 | 112.5 | L187 Y190 L191 I194 E255 F257 E261 T262 | L187-C259 PolarHBondContact O-SG 2.81Å; Y190-C259 HydrophobicContact CD1-CB 4.48Å; L191-C259 HydrophobicContact CB-CB 4.32Å; L191-C259 HydrophobicContact CD1-CB 4.03Å; I194-C259 HydrophobicContact CD1-CB 4.13Å; E255-C259 VanDerWaalsContact O-CB 3.27Å; E255-C259 WeakPolarHBondContact O-CB 3.32Å; E255-C259 PolarHBondContact O-N 2.93Å; E255-C259 VanDerWaalsContact O-N 3.1Å; F257-C259 VanDerWaalsContact C-N 3.33Å; F257-C259 PolarHBondContact O-N 2.78Å; C259-E261 PolarHBondContact O-N 3.19Å; C259-T262 WeakPolarHBondContact O-CG2 3.48Å; C259-T262 PolarHBondContact O-N 3.46Å; C259-T262 PolarHBondContact O-OG1 2.89Å |
| 260 | P | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -71 | -15.6 | -179.9 | 29.1 | -36.5 | 0 | 0 | 0 | 113.9 | C219 Y220 V221 R256 F257 T262 L263 Y308 | C219-P260 HydrophobicContact CB-CG 4.49Å; Y220-P260 WeakPolarHBondContact O-CG 3.42Å; V221-P260 HydrophobicContact CG2-CB 3.89Å; V221-P260 HydrophobicContact CG2-CG 4.29Å; R256-P260 WeakPolarHBondContact O-CD 3.39Å; F257-P260 WeakPolarHBondContact O-CD 3.44Å; P260-T262 PolarHBondContact O-N 3.28Å; P260-L263 WeakPolarHBondContact O-CB 3.29Å; P260-L263 PolarHBondContact O-N 2.94Å; P260-Y308 HydrophobicContact CB-CD1 4.41Å; P260-Y308 HydrophobicContact CB-CD2 3.8Å; P260-Y308 HydrophobicContact CB-CE1 4.32Å; P260-Y308 HydrophobicContact CB-CE2 3.65Å; P260-Y308 HydrophobicContact CB-CG 4.17Å |
| 261 | E | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.8 | -28.6 | 174 | -172.1 | 62.1 | -157.6 | 0 | 0 | 112 | F225 F257 R258 C259 L263 F264 Q265 F268 R314 | F225-E261 HydrophobicContact CB-CG 4.4Å; F225-E261 HydrophobicContact CD1-CG 4.39Å; F225-E261 HydrophobicContact CD2-CB 3.82Å; F225-E261 HydrophobicContact CD2-CG 3.42Å; F225-E261 VanDerWaalsContact CD2-CG 3.42Å; F225-E261 HydrophobicContact CE2-CB 3.83Å; F225-E261 HydrophobicContact CE2-CG 3.7Å; F225-E261 HydrophobicContact CG-CG 3.81Å; F225-E261 HydrophobicContact CZ-CG 4.28Å; F257-E261 WeakPolarHBondContact O-CB 3.16Å; F257-E261 PolarHBondContact O-N 2.95Å; R258-E261 WeakPolarHBondContact O-CB 3.47Å; R258-E261 PolarHBondContact O-N 3.13Å; C259-E261 PolarHBondContact O-N 3.19Å; E261-L263 PolarHBondContact O-N 3.43Å; E261-L263 VanDerWaalsContact O-N 3.08Å; E261-F264 CarbonylContact O-C 3.53Å; E261-F264 WeakPolarHBondContact O-CA 3.15Å; E261-F264 WeakPolarHBondContact O-CB 3.38Å; E261-F264 PolarHBondContact O-N 3.15Å; E261-Q265 PolarHBondContact O-N 2.99Å; E261-F268 HydrophobicContact CB-CE2 4.42Å; E261-F268 HydrophobicContact CG-CD2 4.26Å; E261-F268 HydrophobicContact CG-CE2 3.82Å; E261-R314 IonicContact OE1-CZ 2.98Å; E261-R314 IonicContact OE1-NH1 3.16Å; E261-R314 PolarHBondContact OE1-NH1 3.01Å; E261-R314 IonicContact OE1-NH2 2.67Å; E261-R314 PolarHBondContact OE1-NH2 3.25Å; E261-R314 IonicContact OE2-CZ 3.08Å; E261-R314 IonicContact OE2-NH1 2.78Å; E261-R314 PolarHBondContact OE2-NH1 3.3Å; E261-R314 IonicContact OE2-NH2 3.94Å |
| 262 | T | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -24.9 | 175.9 | 59.3 | 0 | 0 | 0 | 0 | 113.5 | L182 L187 Y190 C259 P260 F264 Q265 P266 F268 I269 | L182-T262 VanDerWaalsContact CD2-O 3.22Å; L182-T262 WeakPolarHBondContact CD2-O 3.49Å; L187-T262 WeakPolarHBondContact CD2-OG1 3.18Å; Y190-T262 HydrophobicContact CD1-CG2 3.42Å; Y190-T262 VanDerWaalsContact CD1-CG2 3.42Å; Y190-T262 HydrophobicContact CE1-CG2 3.36Å; Y190-T262 HydrophobicContact CG-CG2 4.12Å; C259-T262 WeakPolarHBondContact O-CG2 3.48Å; C259-T262 PolarHBondContact O-N 3.46Å; C259-T262 PolarHBondContact O-OG1 2.89Å; P260-T262 PolarHBondContact O-N 3.28Å; T262-F264 VanDerWaalsContact C-N 3.27Å; T262-F264 PolarHBondContact O-N 3.11Å; T262-Q265 CarbonylContact O-C 3.54Å; T262-Q265 VanDerWaalsContact O-C 3.25Å; T262-Q265 PolarHBondContact O-N 2.89Å; T262-P266 VanDerWaalsContact O-CA 3.26Å; T262-P266 WeakPolarHBondContact O-CA 3.42Å; T262-P266 WeakPolarHBondContact O-CD 3.25Å; T262-P266 WeakPolarHBondContact O-CG 3.35Å; T262-F268 HydrophobicContact CG2-CB 3.96Å; T262-I269 HydrophobicContact CG2-CG2 3.71Å |
| 263 | L | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -33.4 | 171.5 | -65.9 | 171.2 | 0 | 0 | 0 | 112 | L182 L187 P260 E261 G275 I276 T305 Y308 I311 | L182-L263 HydrophobicContact CG-CD2 4.33Å; L187-L263 HydrophobicContact CD1-CD1 4.1Å; L187-L263 HydrophobicContact CD1-CD2 4.24Å; L187-L263 HydrophobicContact CD1-CG 4.14Å; L187-L263 HydrophobicContact CD2-CG 4.32Å; P260-L263 WeakPolarHBondContact O-CB 3.29Å; P260-L263 PolarHBondContact O-N 2.94Å; E261-L263 PolarHBondContact O-N 3.43Å; E261-L263 VanDerWaalsContact O-N 3.08Å; L263-G275 CarbonylContact O-C 3.57Å; L263-G275 VanDerWaalsContact O-CA 3.28Å; L263-G275 WeakPolarHBondContact O-CA 3.32Å; L263-I276 HydrophobicContact CB-CD1 3.99Å; L263-I276 HydrophobicContact CB-CG1 4.17Å; L263-I276 HydrophobicContact CB-CG2 4.21Å; L263-I276 HydrophobicContact CD2-CG2 4.4Å; L263-I276 PolarHBondContact O-N 2.87Å; L263-T305 HydrophobicContact CD1-CG2 3.77Å; L263-T305 HydrophobicContact CD2-CG2 4.11Å; L263-Y308 HydrophobicContact CD1-CD2 4.38Å; L263-Y308 HydrophobicContact CD1-CE2 4.29Å; L263-I311 HydrophobicContact CD1-CD1 4.48Å |
| 264 | F | 98.7 | Very high | 97.4 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -31.2 | 177.7 | -64.4 | -94.1 | 0 | 0 | 0 | 111.5 | V221 E261 T262 G275 I276 H277 I311 R314 M315 E318 | V221-F264 HydrophobicContact CG1-CD2 4.39Å; V221-F264 HydrophobicContact CG1-CE2 3.62Å; V221-F264 HydrophobicContact CG1-CZ 4.05Å; V221-F264 HydrophobicContact CG2-CE2 4.07Å; E261-F264 CarbonylContact O-C 3.53Å; E261-F264 WeakPolarHBondContact O-CA 3.15Å; E261-F264 WeakPolarHBondContact O-CB 3.38Å; E261-F264 PolarHBondContact O-N 3.15Å; T262-F264 VanDerWaalsContact C-N 3.27Å; T262-F264 PolarHBondContact O-N 3.11Å; F264-G275 WeakPolarHBondContact O-CA 3.43Å; F264-I276 HydrophobicContact CD1-CG1 4.29Å; F264-I276 HydrophobicContact CE1-CD1 4.17Å; F264-I276 HydrophobicContact CE1-CG1 4.05Å; F264-I276 HydrophobicContact CE2-CD1 3.96Å; F264-I276 HydrophobicContact CE2-CG1 4.38Å; F264-I276 HydrophobicContact CZ-CD1 3.74Å; F264-I276 HydrophobicContact CZ-CG1 4.11Å; F264-H277 HydrophobicContact CD1-CB 4.3Å; F264-H277 AromaticContact CD1-CG 3.96Å; F264-H277 AromaticContact CD1-ND1 3.33Å; F264-H277 VanDerWaalsContact CD1-ND1 3.33Å; F264-H277 WeakPolarHBondContact CD1-ND1 3.5Å; F264-H277 HydrophobicContact CE1-CB 4.29Å; F264-H277 PolarHBondContact O-CE1 3.01Å; F264-I311 HydrophobicContact CE2-CG1 4.42Å; F264-I311 HydrophobicContact CZ-CG1 4.18Å; F264-R314 HydrophobicContact CD1-CG 3.87Å; F264-R314 HydrophobicContact CD2-CG 4.49Å; F264-R314 HydrophobicContact CE1-CB 4.16Å; F264-R314 HydrophobicContact CE1-CG 3.35Å; F264-R314 HydrophobicContact CE2-CG 4.02Å; F264-R314 HydrophobicContact CG-CG 4.44Å; F264-R314 HydrophobicContact CZ-CB 3.9Å; F264-R314 HydrophobicContact CZ-CG 3.43Å; F264-R314 VanDerWaalsContact CZ-CG 3.43Å; F264-M315 HydrophobicContact CE1-CG 4.34Å; F264-M315 HydrophobicContact CE1-SD 3.89Å; F264-M315 HydrophobicContact CZ-CG 4.25Å; F264-M315 HydrophobicContact CZ-SD 4.21Å; F264-E318 HydrophobicContact CD1-CG 4.36Å; F264-E318 HydrophobicContact CE1-CG 4.46Å |
| 265 | Q | 97.9 | Very high | 97.4 | Very high | 65 Ų | 65 | 36.5 Ų | 36.5 | 30% | 0.304 | 21% | 0.207 | S | C | . | . | trans | -130.5 | 75.9 | -179.7 | -62.6 | -174.9 | -25.8 | 0 | 0 | 111.4 | E261 T262 S267 F268 | E261-Q265 PolarHBondContact O-N 2.99Å; T262-Q265 CarbonylContact O-C 3.54Å; T262-Q265 VanDerWaalsContact O-C 3.25Å; T262-Q265 PolarHBondContact O-N 2.89Å; Q265-S267 PolarHBondContact O-N 3.19Å; Q265-F268 HydrophobicContact CB-CD1 4.38Å; Q265-F268 HydrophobicContact CB-CD2 4.41Å; Q265-F268 HydrophobicContact CB-CE1 4.47Å; Q265-F268 HydrophobicContact CB-CE2 4.48Å; Q265-F268 HydrophobicContact CB-CG 4.38Å; Q265-F268 WeakPolarHBondContact O-CB 3.4Å; Q265-F268 PolarHBondContact O-N 3.21Å; Q265-F268 VanDerWaalsContact OE1-CE2 3.28Å | ||
| 266 | P | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.019 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -57.8 | -21.8 | -178.9 | -27.2 | 36.2 | 0 | 0 | 0 | 114.4 | L182 T262 F268 I269 M271 S273 | L182-P266 HydrophobicContact CD2-CB 4.01Å; L182-P266 HydrophobicContact CD2-CG 4.03Å; T262-P266 VanDerWaalsContact O-CA 3.26Å; T262-P266 WeakPolarHBondContact O-CA 3.42Å; T262-P266 WeakPolarHBondContact O-CD 3.25Å; T262-P266 WeakPolarHBondContact O-CG 3.35Å; P266-F268 PolarHBondContact O-N 3.01Å; P266-F268 VanDerWaalsContact O-N 3.12Å; P266-I269 WeakPolarHBondContact O-CG1 3.38Å; P266-I269 PolarHBondContact O-N 3.45Å; P266-M271 CarbonylContact C-O 3.57Å; P266-M271 VanDerWaalsContact C-O 3.3Å; P266-M271 HydrophobicContact CB-CB 3.8Å; P266-M271 PolarHBondContact O-N 2.93Å; P266-M271 VanDerWaalsContact O-N 3.15Å; P266-S273 WeakPolarHBondContact CG-O 3.41Å |
| 267 | S | 97 | Very high | 97.4 | Very high | 82 Ų | 82 | 35.5 Ų | 35.5 | 57% | 0.573 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -57.5 | -24.6 | 175.1 | 64.5 | 0 | 0 | 0 | 0 | 113.8 | Q265 I269 G270 M271 | Q265-S267 PolarHBondContact O-N 3.19Å; S267-I269 PolarHBondContact O-N 3.17Å; S267-I269 VanDerWaalsContact O-N 3.17Å; S267-G270 PolarHBondContact O-N 3.31Å; S267-M271 WeakPolarHBondContact CA-O 3.32Å; S267-M271 PolarHBondContact N-O 2.75Å |
| 268 | F | 94.2 | Very high | 97.4 | Very high | 71 Ų | 71 | 39.2 Ų | 39.2 | 31% | 0.311 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -63.1 | -20.2 | 176.2 | -78.1 | 5.6 | 0 | 0 | 0 | 114 | F225 E261 T262 Q265 P266 | F225-F268 AromaticContact CE1-CE2 3.8Å; F225-F268 HydrophobicContact CE1-CE2 3.8Å; F225-F268 AromaticContact CE1-CZ 3.82Å; F225-F268 HydrophobicContact CE1-CZ 3.82Å; F225-F268 HydrophobicContact CE2-CE2 4.31Å; F225-F268 AromaticContact CZ-CE2 3.64Å; F225-F268 HydrophobicContact CZ-CE2 3.64Å; F225-F268 HydrophobicContact CZ-CZ 4.12Å; E261-F268 HydrophobicContact CB-CE2 4.42Å; E261-F268 HydrophobicContact CG-CD2 4.26Å; E261-F268 HydrophobicContact CG-CE2 3.82Å; T262-F268 HydrophobicContact CG2-CB 3.96Å; Q265-F268 HydrophobicContact CB-CD1 4.38Å; Q265-F268 HydrophobicContact CB-CD2 4.41Å; Q265-F268 HydrophobicContact CB-CE1 4.47Å; Q265-F268 HydrophobicContact CB-CE2 4.48Å; Q265-F268 HydrophobicContact CB-CG 4.38Å; Q265-F268 WeakPolarHBondContact O-CB 3.4Å; Q265-F268 PolarHBondContact O-N 3.21Å; Q265-F268 VanDerWaalsContact OE1-CE2 3.28Å; P266-F268 PolarHBondContact O-N 3.01Å; P266-F268 VanDerWaalsContact O-N 3.12Å |
| 269 | I | 96 | Very high | 97.4 | Very high | 51 Ų | 51 | 37.4 Ų | 37.4 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -111.7 | 15 | 173.2 | 56.3 | 169.7 | 0 | 0 | 0 | 112.3 | L182 Y190 T262 P266 S267 M271 | L182-I269 HydrophobicContact CD1-CD1 3.43Å; L182-I269 VanDerWaalsContact CD1-CD1 3.43Å; L182-I269 HydrophobicContact CD2-CD1 4.05Å; L182-I269 HydrophobicContact CG-CD1 4.31Å; Y190-I269 HydrophobicContact CD1-CG2 4.2Å; Y190-I269 HydrophobicContact CD2-CG2 3.34Å; Y190-I269 HydrophobicContact CE2-CG2 3.81Å; Y190-I269 HydrophobicContact CG-CG2 3.55Å; T262-I269 HydrophobicContact CG2-CG2 3.71Å; P266-I269 WeakPolarHBondContact O-CG1 3.38Å; P266-I269 PolarHBondContact O-N 3.45Å; S267-I269 PolarHBondContact O-N 3.17Å; S267-I269 VanDerWaalsContact O-N 3.17Å; I269-M271 VanDerWaalsContact C-N 3.33Å; I269-M271 HydrophobicContact CD1-CG 4.05Å; I269-M271 HydrophobicContact CD1-SD 3.48Å; I269-M271 WeakPolarHBondContact CD1-SD 3.34Å; I269-M271 HydrophobicContact CG1-CB 4.4Å; I269-M271 HydrophobicContact CG1-CG 3.99Å; I269-M271 HydrophobicContact CG1-SD 4.07Å |
| 270 | G | 95.5 | Very high | 97.4 | Very high | 68 Ų | 68 | 37.4 Ų | 37.4 | 70% | 0.701 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 16.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S267 | S267-G270 PolarHBondContact O-N 3.31Š|
| 271 | M | 95.2 | Very high | 97.4 | Very high | 49 Ų | 49 | 40.2 Ų | 40.2 | 24% | 0.241 | 23% | 0.226 | C | C | . | . | trans | -90.6 | 121.4 | 175.1 | -68 | -179.5 | 74 | 0 | 0 | 110.8 | L180 D181 L182 P266 S267 I269 S273 | L180-M271 HydrophobicContact CD1-CE 4.27Å; D181-M271 WeakPolarHBondContact O-CE 3.25Å; L182-M271 HydrophobicContact CB-CE 4.13Å; L182-M271 HydrophobicContact CB-SD 4.05Å; L182-M271 HydrophobicContact CD1-SD 4.45Å; L182-M271 HydrophobicContact CD2-SD 4.37Å; P266-M271 CarbonylContact C-O 3.57Å; P266-M271 VanDerWaalsContact C-O 3.3Å; P266-M271 HydrophobicContact CB-CB 3.8Å; P266-M271 PolarHBondContact O-N 2.93Å; P266-M271 VanDerWaalsContact O-N 3.15Å; S267-M271 WeakPolarHBondContact CA-O 3.32Å; S267-M271 PolarHBondContact N-O 2.75Å; I269-M271 VanDerWaalsContact C-N 3.33Å; I269-M271 HydrophobicContact CD1-CG 4.05Å; I269-M271 HydrophobicContact CD1-SD 3.48Å; I269-M271 WeakPolarHBondContact CD1-SD 3.34Å; I269-M271 HydrophobicContact CG1-CB 4.4Å; I269-M271 HydrophobicContact CG1-CG 3.99Å; I269-M271 HydrophobicContact CG1-SD 4.07Å; M271-S273 PolarHBondContact O-N 3.1Å | ||
| 272 | E | 94.6 | Very high | 97.4 | Very high | 200 Ų | 200 | 42.9 Ų | 42.9 | 94% | 0.935 | 24% | 0.241 | S | C | * | . | trans | -82.3 | 65.3 | 173.4 | -64.5 | -174.3 | 173.5 | 0 | 0 | 111 | ||||
| 273 | S | 95.5 | Very high | 97.4 | Very high | 58 Ų | 58 | 42.9 Ų | 42.9 | 41% | 0.406 | 24% | 0.241 | S | C | . | . | trans | -133.9 | 151 | 179.8 | -67.7 | 0 | 0 | 0 | 0 | 110.9 | P266 M271 | P266-S273 WeakPolarHBondContact CG-O 3.41Å; M271-S273 PolarHBondContact O-N 3.1Å | ||
| 274 | A | 97.8 | Very high | 97.4 | Very high | 30 Ų | 30 | 42.9 Ų | 42.9 | 25% | 0.248 | 24% | 0.241 | C | C | . | . | trans | -67.2 | 148.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E278 T279 | A274-E278 HydrophobicContact CB-CB 3.85Å; A274-E278 WeakPolarHBondContact CB-OE2 3.37Å; A274-T279 HydrophobicContact CB-CG2 3.97Å | ||
| 275 | G | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | trans | -68.2 | 171.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | L263 F264 H277 E278 T279 | L263-G275 CarbonylContact O-C 3.57Å; L263-G275 VanDerWaalsContact O-CA 3.28Å; L263-G275 WeakPolarHBondContact O-CA 3.32Å; F264-G275 WeakPolarHBondContact O-CA 3.43Å; G275-H277 VanDerWaalsContact C-N 3.26Å; G275-H277 PolarHBondContact O-N 3.13Å; G275-E278 PolarHBondContact O-N 3.35Å; G275-T279 WeakPolarHBondContact O-CG2 3.39Å; G275-T279 PolarHBondContact O-N 2.88Å; G275-T279 PolarHBondContact O-OG1 2.92Å | ||
| 276 | I | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.7 | -32.5 | -178.2 | 57 | 167.3 | 0 | 0 | 0 | 113.7 | L155 T162 N164 L180 L263 F264 T279 A280 I311 M315 | L155-I276 HydrophobicContact CD1-CB 4.07Å; L155-I276 HydrophobicContact CD1-CG2 4.22Å; L155-I276 HydrophobicContact CD2-CB 4.34Å; L155-I276 HydrophobicContact CD2-CD1 3.85Å; T162-I276 HydrophobicContact CG2-CG2 3.88Å; N164-I276 PolarHBondContact ND2-O 2.81Å; L180-I276 HydrophobicContact CD2-CG2 4.28Å; L263-I276 HydrophobicContact CB-CD1 3.99Å; L263-I276 HydrophobicContact CB-CG1 4.17Å; L263-I276 HydrophobicContact CB-CG2 4.21Å; L263-I276 HydrophobicContact CD2-CG2 4.4Å; L263-I276 PolarHBondContact O-N 2.87Å; F264-I276 HydrophobicContact CD1-CG1 4.29Å; F264-I276 HydrophobicContact CE1-CD1 4.17Å; F264-I276 HydrophobicContact CE1-CG1 4.05Å; F264-I276 HydrophobicContact CE2-CD1 3.96Å; F264-I276 HydrophobicContact CE2-CG1 4.38Å; F264-I276 HydrophobicContact CZ-CD1 3.74Å; F264-I276 HydrophobicContact CZ-CG1 4.11Å; I276-T279 VanDerWaalsContact CA-OG1 3.27Å; I276-T279 WeakPolarHBondContact CA-OG1 3.37Å; I276-T279 PolarHBondContact O-OG1 3.49Å; I276-T279 VanDerWaalsContact O-OG1 3.07Å; I276-A280 WeakPolarHBondContact O-CB 3.24Å; I276-A280 PolarHBondContact O-N 3.27Å; I276-I311 HydrophobicContact CD1-CD1 4.13Å; I276-I311 HydrophobicContact CD1-CG1 4.48Å; I276-M315 HydrophobicContact CD1-SD 3.78Å; I276-M315 HydrophobicContact CG1-SD 3.82Å |
| 277 | H | 98.5 | Very high | 97.4 | Very high | 16 Ų | 16 | 47.1 Ų | 47.1 | 7% | 0.074 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.1 | -44.5 | 177.9 | 61.4 | -70.4 | 0 | 0 | 0 | 111.9 | F264 G275 A280 Y281 M315 E318 I319 | F264-H277 HydrophobicContact CD1-CB 4.3Å; F264-H277 AromaticContact CD1-CG 3.96Å; F264-H277 AromaticContact CD1-ND1 3.33Å; F264-H277 VanDerWaalsContact CD1-ND1 3.33Å; F264-H277 WeakPolarHBondContact CD1-ND1 3.5Å; F264-H277 HydrophobicContact CE1-CB 4.29Å; F264-H277 PolarHBondContact O-CE1 3.01Å; G275-H277 VanDerWaalsContact C-N 3.26Å; G275-H277 PolarHBondContact O-N 3.13Å; H277-A280 PolarHBondContact O-N 2.82Å; H277-Y281 PolarHBondContact O-N 3.49Å; H277-M315 HydrophobicContact CB-SD 3.87Å; H277-E318 HydrophobicContact CB-CB 3.64Å; H277-E318 HydrophobicContact CB-CG 4.31Å; H277-I319 HydrophobicContact CB-CG1 4.48Å |
| 278 | E | 98.5 | Very high | 97.4 | Very high | 77 Ų | 77 | 48.9 Ų | 48.9 | 36% | 0.36 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 174.1 | -75.7 | 174.4 | -131.2 | 0 | 0 | 111.6 | A274 G275 A280 Y281 N282 L322 | A274-E278 HydrophobicContact CB-CB 3.85Å; A274-E278 WeakPolarHBondContact CB-OE2 3.37Å; G275-E278 PolarHBondContact O-N 3.35Å; E278-A280 VanDerWaalsContact C-N 3.34Å; E278-A280 PolarHBondContact O-N 2.9Å; E278-Y281 PolarHBondContact O-N 3.11Å; E278-N282 VanDerWaalsContact O-CB 3.26Å; E278-N282 WeakPolarHBondContact O-CB 3.46Å; E278-N282 PolarHBondContact O-N 2.91Å; E278-N282 PolarHBondContact O-ND2 3.03Å; E278-N282 VanDerWaalsContact O-ND2 3.13Å; E278-L322 HydrophobicContact CG-CD1 4.1Å |
| 279 | T | 98.3 | Very high | 97.5 | Very high | 9 Ų | 9 | 51.3 Ų | 51.3 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.8 | -34.7 | 177.2 | 52.1 | 0 | 0 | 0 | 0 | 112 | N164 M178 A274 G275 I276 S283 | N164-T279 PolarHBondContact ND2-OG1 3.44Å; M178-T279 HydrophobicContact CE-CG2 4.29Å; M178-T279 WeakPolarHBondContact CG-O 3.4Å; A274-T279 HydrophobicContact CB-CG2 3.97Å; G275-T279 WeakPolarHBondContact O-CG2 3.39Å; G275-T279 PolarHBondContact O-N 2.88Å; G275-T279 PolarHBondContact O-OG1 2.92Å; I276-T279 VanDerWaalsContact CA-OG1 3.27Å; I276-T279 WeakPolarHBondContact CA-OG1 3.37Å; I276-T279 PolarHBondContact O-OG1 3.49Å; I276-T279 VanDerWaalsContact O-OG1 3.07Å; T279-S283 VanDerWaalsContact O-CB 3.25Å; T279-S283 WeakPolarHBondContact O-CB 3.47Å; T279-S283 PolarHBondContact O-N 2.85Å |
| 280 | A | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.2 | -49.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.3 | N164 I276 H277 E278 N282 S283 I284 M315 I319 | N164-A280 PolarHBondContact ND2-N 3.14Å; N164-A280 WeakPolarHBondContact OD1-CB 3.31Å; I276-A280 WeakPolarHBondContact O-CB 3.24Å; I276-A280 PolarHBondContact O-N 3.27Å; H277-A280 PolarHBondContact O-N 2.82Å; E278-A280 VanDerWaalsContact C-N 3.34Å; E278-A280 PolarHBondContact O-N 2.9Å; A280-N282 PolarHBondContact O-N 2.83Å; A280-S283 WeakPolarHBondContact O-CB 3.19Å; A280-S283 PolarHBondContact O-N 3.24Å; A280-I284 WeakPolarHBondContact O-CG1 3.4Å; A280-I284 PolarHBondContact O-N 3.05Å; A280-I284 VanDerWaalsContact O-N 3.09Å; A280-M315 HydrophobicContact CB-CE 4.2Å; A280-I319 HydrophobicContact CB-CD1 3.96Å |
| 281 | Y | 98.5 | Very high | 97.6 | Very high | 59 Ų | 59 | 53.2 Ų | 53.2 | 23% | 0.231 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.7 | -48.6 | 175.6 | 169 | -95.7 | 0 | 0 | 0 | 112.3 | H277 E278 S283 I284 M285 Y296 L322 | H277-Y281 PolarHBondContact O-N 3.49Å; E278-Y281 PolarHBondContact O-N 3.11Å; Y281-S283 VanDerWaalsContact C-N 3.3Å; Y281-S283 PolarHBondContact O-N 2.91Å; Y281-I284 PolarHBondContact O-N 3.36Å; Y281-M285 HydrophobicContact CD1-CG 4.23Å; Y281-M285 HydrophobicContact CD2-CG 4.31Å; Y281-M285 HydrophobicContact CE1-CG 3.72Å; Y281-M285 HydrophobicContact CE2-CE 3.78Å; Y281-M285 HydrophobicContact CE2-CG 3.79Å; Y281-M285 HydrophobicContact CE2-SD 4.31Å; Y281-M285 HydrophobicContact CG-CG 4.49Å; Y281-M285 VanDerWaalsContact CZ-CG 3.46Å; Y281-M285 WeakPolarHBondContact O-CG 3.31Å; Y281-M285 PolarHBondContact O-N 3.42Å; Y281-Y296 VanDerWaalsContact CD2-OH 3.27Å; Y281-Y296 WeakPolarHBondContact CD2-OH 3.4Å; Y281-Y296 WeakPolarHBondContact CE2-OH 3.33Å; Y281-L322 HydrophobicContact CD2-CB 3.7Å; Y281-L322 HydrophobicContact CE2-CB 4.15Å; Y281-L322 VanDerWaalsContact CE2-O 3.24Å; Y281-L322 WeakPolarHBondContact CE2-O 3.35Å; Y281-L322 HydrophobicContact CG-CB 3.94Å; Y281-L322 HydrophobicContact CG-CD1 4.19Å |
| 282 | N | 98.5 | Very high | 97.7 | Very high | 57 Ų | 57 | 53.5 Ų | 53.5 | 31% | 0.305 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.3 | -37.6 | -180 | -72.1 | -27.7 | 0 | 0 | 0 | 111.8 | M178 E278 A280 M285 K286 | M178-N282 HydrophobicContact CE-CB 4.26Å; E278-N282 VanDerWaalsContact O-CB 3.26Å; E278-N282 WeakPolarHBondContact O-CB 3.46Å; E278-N282 PolarHBondContact O-N 2.91Å; E278-N282 PolarHBondContact O-ND2 3.03Å; E278-N282 VanDerWaalsContact O-ND2 3.13Å; A280-N282 PolarHBondContact O-N 2.83Å; N282-M285 PolarHBondContact O-N 3.49Å; N282-K286 WeakPolarHBondContact O-CG 3.43Å; N282-K286 PolarHBondContact O-N 3.5Å |
| 283 | S | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 173.8 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | P166 A176 T279 A280 Y281 M285 K286 C287 | P166-S283 VanDerWaalsContact CD-OG 3.26Å; P166-S283 WeakPolarHBondContact CD-OG 3.31Å; P166-S283 VanDerWaalsContact CG-OG 3.3Å; P166-S283 WeakPolarHBondContact CG-OG 3.26Å; A176-S283 WeakPolarHBondContact O-CB 3.38Å; A176-S283 PolarHBondContact O-OG 2.88Å; T279-S283 VanDerWaalsContact O-CB 3.25Å; T279-S283 WeakPolarHBondContact O-CB 3.47Å; T279-S283 PolarHBondContact O-N 2.85Å; A280-S283 WeakPolarHBondContact O-CB 3.19Å; A280-S283 PolarHBondContact O-N 3.24Å; Y281-S283 VanDerWaalsContact C-N 3.3Å; Y281-S283 PolarHBondContact O-N 2.91Å; S283-M285 VanDerWaalsContact C-N 3.32Å; S283-M285 PolarHBondContact O-N 3.03Å; S283-K286 PolarHBondContact O-N 3.09Å; S283-C287 PolarHBondContact O-N 3.36Å; S283-C287 PolarHBondContact O-SG 3.44Å |
| 284 | I | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.1 | -39 | 175.7 | -61.5 | 172.5 | 0 | 0 | 0 | 111.3 | I153 A280 Y281 K286 C287 R292 L295 Y296 | I153-I284 HydrophobicContact CD1-CD1 4.49Å; I153-I284 HydrophobicContact CD1-CG1 3.9Å; I153-I284 HydrophobicContact CG2-CD1 4.16Å; I153-I284 HydrophobicContact CG2-CG1 4.45Å; A280-I284 WeakPolarHBondContact O-CG1 3.4Å; A280-I284 PolarHBondContact O-N 3.05Å; A280-I284 VanDerWaalsContact O-N 3.09Å; Y281-I284 PolarHBondContact O-N 3.36Å; I284-K286 VanDerWaalsContact C-N 3.26Å; I284-K286 PolarHBondContact O-N 2.74Å; I284-C287 VanDerWaalsContact O-CB 3.3Å; I284-C287 WeakPolarHBondContact O-CB 3.49Å; I284-C287 PolarHBondContact O-N 3.36Å; I284-R292 HydrophobicContact CG2-CB 3.8Å; I284-R292 HydrophobicContact CG2-CG 3.82Å; I284-R292 PolarHBondContact O-NE 3.39Å; I284-L295 HydrophobicContact CD1-CB 4.25Å; I284-L295 HydrophobicContact CG1-CB 4.01Å; I284-L295 HydrophobicContact CG1-CD1 4.36Å; I284-L295 HydrophobicContact CG2-CB 4.26Å; I284-L295 HydrophobicContact CG2-CD1 4.33Å; I284-Y296 HydrophobicContact CB-CE1 4.36Å; I284-Y296 HydrophobicContact CD1-CD1 3.38Å; I284-Y296 HydrophobicContact CD1-CE1 3.42Å; I284-Y296 VanDerWaalsContact CD1-CE1 3.42Å; I284-Y296 HydrophobicContact CD1-CG 4.05Å; I284-Y296 HydrophobicContact CG1-CE1 4.48Å; I284-Y296 HydrophobicContact CG2-CD1 4.45Å; I284-Y296 HydrophobicContact CG2-CD2 4.04Å; I284-Y296 HydrophobicContact CG2-CE1 4.1Å; I284-Y296 HydrophobicContact CG2-CE2 3.64Å; I284-Y296 HydrophobicContact CG2-CG 4.42Å |
| 285 | M | 97.7 | Very high | 97.9 | Very high | 50 Ų | 50 | 50 Ų | 50 | 25% | 0.246 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.6 | -22.3 | 178.3 | -75.5 | -64.1 | 131.9 | 0 | 0 | 113.9 | Y281 N282 S283 C287 R292 Y296 | Y281-M285 HydrophobicContact CD1-CG 4.23Å; Y281-M285 HydrophobicContact CD2-CG 4.31Å; Y281-M285 HydrophobicContact CE1-CG 3.72Å; Y281-M285 HydrophobicContact CE2-CE 3.78Å; Y281-M285 HydrophobicContact CE2-CG 3.79Å; Y281-M285 HydrophobicContact CE2-SD 4.31Å; Y281-M285 HydrophobicContact CG-CG 4.49Å; Y281-M285 VanDerWaalsContact CZ-CG 3.46Å; Y281-M285 WeakPolarHBondContact O-CG 3.31Å; Y281-M285 PolarHBondContact O-N 3.42Å; N282-M285 PolarHBondContact O-N 3.49Å; S283-M285 VanDerWaalsContact C-N 3.32Å; S283-M285 PolarHBondContact O-N 3.03Å; M285-C287 VanDerWaalsContact C-N 3.31Å; M285-R292 PolarHBondContact O-NH2 3Å; M285-R292 PolarHBondContact SD-NH1 2.95Å; M285-Y296 HydrophobicContact CE-CE2 4.12Å; M285-Y296 WeakPolarHBondContact CE-OH 3.31Å |
| 286 | K | 98.3 | Very high | 97.9 | Very high | 108 Ų | 108 | 50 Ų | 50 | 47% | 0.47 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -78.5 | -15.3 | 171 | -73.7 | 176.3 | 177 | -175.2 | 0 | 113.3 | A176 M178 N282 S283 I284 | A176-K286 HydrophobicContact CB-CB 3.74Å; M178-K286 HydrophobicContact SD-CD 4.23Å; M178-K286 PolarHBondContact SD-NZ 3.04Å; N282-K286 WeakPolarHBondContact O-CG 3.43Å; N282-K286 PolarHBondContact O-N 3.5Å; S283-K286 PolarHBondContact O-N 3.09Å; I284-K286 VanDerWaalsContact C-N 3.26Å; I284-K286 PolarHBondContact O-N 2.74Å |
| 287 | C | 98 | Very high | 97.9 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -84 | 159.2 | 178.1 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | L173 S283 I284 M285 I291 R292 L295 | L173-C287 HydrophobicContact CD1-CB 4.47Å; S283-C287 PolarHBondContact O-N 3.36Å; S283-C287 PolarHBondContact O-SG 3.44Å; I284-C287 VanDerWaalsContact O-CB 3.3Å; I284-C287 WeakPolarHBondContact O-CB 3.49Å; I284-C287 PolarHBondContact O-N 3.36Å; M285-C287 VanDerWaalsContact C-N 3.31Å; C287-I291 HydrophobicContact CB-CD1 3.94Å; C287-I291 HydrophobicContact CB-CG1 4.07Å; C287-R292 VanDerWaalsContact O-CZ 3.3Å; C287-R292 PolarHBondContact O-NE 3.14Å; C287-R292 PolarHBondContact O-NH2 3.03Å; C287-L295 HydrophobicContact CB-CD1 3.75Å; C287-L295 VanDerWaalsContact SG-CD1 3.57Å |
| 288 | D | 96.9 | Very high | 97.9 | Very high | 119 Ų | 119 | 52 Ų | 52 | 64% | 0.636 | 26% | 0.257 | S | S | * | . | trans | -59.4 | 143.3 | 175.4 | -70.5 | -41.8 | 0 | 0 | 0 | 112 | D290 I291 R292 | D288-D290 PolarHBondContact O-N 3.14Å; D288-D290 VanDerWaalsContact O-N 3.14Å; D288-I291 VanDerWaalsContact O-CG1 3.3Å; D288-I291 WeakPolarHBondContact O-CG1 3.46Å; D288-I291 PolarHBondContact O-N 2.93Å; D288-R292 WeakPolarHBondContact O-CG 3.48Å; D288-R292 PolarHBondContact O-N 2.93Å | ||
| 289 | I | 96.1 | Very high | 97.9 | Very high | 121 Ų | 121 | 48.6 Ų | 48.6 | 62% | 0.621 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -56.9 | -34.2 | -173.4 | -166.7 | 165.5 | 0 | 0 | 0 | 112.8 | I291 R292 | I289-I291 VanDerWaalsContact C-N 3.29Å; I289-I291 PolarHBondContact O-N 3.06Å; I289-R292 PolarHBondContact O-N 3.46Å |
| 290 | D | 96.3 | Very high | 97.9 | Very high | 140 Ų | 140 | 48.2 Ų | 48.2 | 75% | 0.749 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -66.9 | -29.6 | -175.2 | -65.2 | -20.4 | 0 | 0 | 0 | 112.7 | D288 | D288-D290 PolarHBondContact O-N 3.14Å; D288-D290 VanDerWaalsContact O-N 3.14Å |
| 291 | I | 97.1 | Very high | 97.9 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -96.8 | -14.4 | -177.4 | 67.9 | 165.5 | 0 | 0 | 0 | 113.2 | Y168 L173 C287 D288 I289 K293 D294 L295 | Y168-I291 HydrophobicContact CD2-CB 3.98Å; Y168-I291 HydrophobicContact CD2-CD1 4.31Å; Y168-I291 HydrophobicContact CD2-CG2 3.51Å; Y168-I291 HydrophobicContact CE2-CB 4.23Å; Y168-I291 HydrophobicContact CE2-CG2 3.41Å; Y168-I291 VanDerWaalsContact CE2-CG2 3.41Å; Y168-I291 HydrophobicContact CG-CD1 4.45Å; Y168-I291 HydrophobicContact CG-CG2 4.27Å; L173-I291 HydrophobicContact CD1-CD1 3.54Å; C287-I291 HydrophobicContact CB-CD1 3.94Å; C287-I291 HydrophobicContact CB-CG1 4.07Å; D288-I291 VanDerWaalsContact O-CG1 3.3Å; D288-I291 WeakPolarHBondContact O-CG1 3.46Å; D288-I291 PolarHBondContact O-N 2.93Å; I289-I291 VanDerWaalsContact C-N 3.29Å; I289-I291 PolarHBondContact O-N 3.06Å; I291-K293 PolarHBondContact O-N 3.08Å; I291-D294 PolarHBondContact O-N 3.32Å; I291-L295 HydrophobicContact CD1-CD1 4.13Å; I291-L295 HydrophobicContact CG1-CD1 4.21Å; I291-L295 WeakPolarHBondContact O-CG 3.44Å; I291-L295 PolarHBondContact O-N 3.28Å |
| 292 | R | 98 | Very high | 97.9 | Very high | 54 Ų | 54 | 45.5 Ų | 45.5 | 20% | 0.204 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58 | -36.6 | -175.2 | -63.3 | -173.6 | -171.1 | 176.4 | 0.9 | 113.1 | I284 M285 C287 D288 I289 D294 L295 Y296 | I284-R292 HydrophobicContact CG2-CB 3.8Å; I284-R292 HydrophobicContact CG2-CG 3.82Å; I284-R292 PolarHBondContact O-NE 3.39Å; M285-R292 PolarHBondContact O-NH2 3Å; M285-R292 PolarHBondContact SD-NH1 2.95Å; C287-R292 VanDerWaalsContact O-CZ 3.3Å; C287-R292 PolarHBondContact O-NE 3.14Å; C287-R292 PolarHBondContact O-NH2 3.03Å; D288-R292 WeakPolarHBondContact O-CG 3.48Å; D288-R292 PolarHBondContact O-N 2.93Å; I289-R292 PolarHBondContact O-N 3.46Å; R292-D294 VanDerWaalsContact C-N 3.29Å; R292-D294 PolarHBondContact O-N 3.34Å; R292-L295 PolarHBondContact O-N 2.83Å; R292-Y296 HydrophobicContact CB-CD2 4.36Å; R292-Y296 HydrophobicContact CB-CE2 4.33Å; R292-Y296 WeakPolarHBondContact O-CB 3.49Å; R292-Y296 WeakPolarHBondContact O-CD2 3.26Å; R292-Y296 PolarHBondContact O-N 2.8Å |
| 293 | K | 97.5 | Very high | 97.9 | Very high | 145 Ų | 145 | 43.1 Ų | 43.1 | 63% | 0.63 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -58.2 | -44.4 | 177.4 | -179.6 | -174.4 | 172.9 | -170.6 | 0 | 111.1 | I291 A297 M327 | I291-K293 PolarHBondContact O-N 3.08Å; K293-A297 WeakPolarHBondContact O-CB 3.43Å; K293-A297 PolarHBondContact O-N 3.45Å; K293-M327 HydrophobicContact CB-SD 4.23Å |
| 294 | D | 97.6 | Very high | 97.8 | Very high | 70 Ų | 70 | 45.2 Ų | 45.2 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -73.8 | -35.8 | -179.2 | -63.8 | -36.7 | 0 | 0 | 0 | 111.7 | T151 I291 R292 A297 N298 | T151-D294 HydrophobicContact CG2-CB 3.86Å; I291-D294 PolarHBondContact O-N 3.32Å; R292-D294 VanDerWaalsContact C-N 3.29Å; R292-D294 PolarHBondContact O-N 3.34Å; D294-A297 PolarHBondContact O-N 2.92Å; D294-N298 WeakPolarHBondContact O-CB 3.43Å; D294-N298 PolarHBondContact O-N 2.86Å; D294-N298 VanDerWaalsContact O-N 3.15Å; D294-N298 PolarHBondContact O-ND2 3.14Å |
| 295 | L | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.6 | -47.3 | 172.9 | -60.5 | -179.3 | 0 | 0 | 0 | 111.3 | T151 G152 P166 I284 C287 I291 R292 A297 N298 N299 | T151-L295 HydrophobicContact CG2-CD2 4.46Å; G152-L295 VanDerWaalsContact C-CD2 3.45Å; G152-L295 WeakPolarHBondContact O-CD2 3.49Å; P166-L295 HydrophobicContact CB-CD1 4.09Å; P166-L295 HydrophobicContact CB-CD2 4.34Å; I284-L295 HydrophobicContact CD1-CB 4.25Å; I284-L295 HydrophobicContact CG1-CB 4.01Å; I284-L295 HydrophobicContact CG1-CD1 4.36Å; I284-L295 HydrophobicContact CG2-CB 4.26Å; I284-L295 HydrophobicContact CG2-CD1 4.33Å; C287-L295 HydrophobicContact CB-CD1 3.75Å; C287-L295 VanDerWaalsContact SG-CD1 3.57Å; I291-L295 HydrophobicContact CD1-CD1 4.13Å; I291-L295 HydrophobicContact CG1-CD1 4.21Å; I291-L295 WeakPolarHBondContact O-CG 3.44Å; I291-L295 PolarHBondContact O-N 3.28Å; R292-L295 PolarHBondContact O-N 2.83Å; L295-A297 VanDerWaalsContact C-N 3.31Å; L295-A297 PolarHBondContact O-N 2.92Å; L295-N298 CarbonylContact O-C 3.57Å; L295-N298 PolarHBondContact O-N 3.02Å; L295-N298 VanDerWaalsContact O-N 3.15Å; L295-N299 PolarHBondContact O-ND2 3.4Å; L295-N299 VanDerWaalsContact O-ND2 3.14Å |
| 296 | Y | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.3 | -36 | 176.2 | -80.8 | -51.9 | 0 | 0 | 0 | 113.3 | Y281 I284 M285 R292 N298 N299 I319 A323 M327 K328 I329 K330 | Y281-Y296 VanDerWaalsContact CD2-OH 3.27Å; Y281-Y296 WeakPolarHBondContact CD2-OH 3.4Å; Y281-Y296 WeakPolarHBondContact CE2-OH 3.33Å; I284-Y296 HydrophobicContact CB-CE1 4.36Å; I284-Y296 HydrophobicContact CD1-CD1 3.38Å; I284-Y296 HydrophobicContact CD1-CE1 3.42Å; I284-Y296 VanDerWaalsContact CD1-CE1 3.42Å; I284-Y296 HydrophobicContact CD1-CG 4.05Å; I284-Y296 HydrophobicContact CG1-CE1 4.48Å; I284-Y296 HydrophobicContact CG2-CD1 4.45Å; I284-Y296 HydrophobicContact CG2-CD2 4.04Å; I284-Y296 HydrophobicContact CG2-CE1 4.1Å; I284-Y296 HydrophobicContact CG2-CE2 3.64Å; I284-Y296 HydrophobicContact CG2-CG 4.42Å; M285-Y296 HydrophobicContact CE-CE2 4.12Å; M285-Y296 WeakPolarHBondContact CE-OH 3.31Å; R292-Y296 HydrophobicContact CB-CD2 4.36Å; R292-Y296 HydrophobicContact CB-CE2 4.33Å; R292-Y296 WeakPolarHBondContact O-CB 3.49Å; R292-Y296 WeakPolarHBondContact O-CD2 3.26Å; R292-Y296 PolarHBondContact O-N 2.8Å; Y296-N298 VanDerWaalsContact C-N 3.25Å; Y296-N298 PolarHBondContact O-N 3.05Å; Y296-N299 WeakPolarHBondContact CA-ND2 3.5Å; Y296-N299 PolarHBondContact O-ND2 3.38Å; Y296-I319 HydrophobicContact CD1-CG2 4.03Å; Y296-I319 HydrophobicContact CE1-CG2 3.97Å; Y296-A323 HydrophobicContact CD1-CB 4.25Å; Y296-A323 HydrophobicContact CE1-CB 3.67Å; Y296-A323 HydrophobicContact CE2-CB 4.31Å; Y296-M327 HydrophobicContact CD2-CB 3.92Å; Y296-M327 HydrophobicContact CD2-CG 3.7Å; Y296-M327 HydrophobicContact CD2-SD 4.02Å; Y296-M327 HydrophobicContact CE2-CB 4.41Å; Y296-M327 HydrophobicContact CE2-CG 3.93Å; Y296-M327 HydrophobicContact CG-CB 4.33Å; Y296-K328 CarbonylContact C-O 3.3Å; Y296-I329 HydrophobicContact CD1-CD1 3.34Å; Y296-I329 HydrophobicContact CD2-CD1 4.42Å; Y296-I329 HydrophobicContact CE1-CD1 4.07Å; Y296-I329 HydrophobicContact CG-CD1 3.56Å; Y296-I329 WeakPolarHBondContact O-CA 3.23Å; Y296-K330 PolarHBondContact O-N 3.44Å |
| 297 | A | 97.8 | Very high | 97.9 | Very high | 28 Ų | 28 | 41.2 Ų | 41.2 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -77.1 | -9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | K293 D294 L295 K330 | K293-A297 WeakPolarHBondContact O-CB 3.43Å; K293-A297 PolarHBondContact O-N 3.45Å; D294-A297 PolarHBondContact O-N 2.92Å; L295-A297 VanDerWaalsContact C-N 3.31Å; L295-A297 PolarHBondContact O-N 2.92Å; A297-K330 WeakPolarHBondContact O-CB 3.35Å |
| 298 | N | 98.1 | Very high | 97.9 | Very high | 32 Ų | 32 | 41.9 Ų | 41.9 | 17% | 0.171 | 23% | 0.225 | C | C | . | . | trans | -138.7 | 62.4 | -175.6 | -62.1 | -63.8 | 0 | 0 | 0 | 111.8 | R149 G152 I153 D294 L295 Y296 V300 I332 | R149-N298 WeakPolarHBondContact CD-OD1 3.42Å; R149-N298 PolarHBondContact NE-OD1 3.45Å; G152-N298 WeakPolarHBondContact CA-O 3.23Å; I153-N298 PolarHBondContact N-O 3.14Å; D294-N298 WeakPolarHBondContact O-CB 3.43Å; D294-N298 PolarHBondContact O-N 2.86Å; D294-N298 VanDerWaalsContact O-N 3.15Å; D294-N298 PolarHBondContact O-ND2 3.14Å; L295-N298 CarbonylContact O-C 3.57Å; L295-N298 PolarHBondContact O-N 3.02Å; L295-N298 VanDerWaalsContact O-N 3.15Å; Y296-N298 VanDerWaalsContact C-N 3.25Å; Y296-N298 PolarHBondContact O-N 3.05Å; N298-V300 PolarHBondContact O-N 3Å; N298-I332 HydrophobicContact CB-CD1 4.37Å | ||
| 299 | N | 98.5 | Very high | 98 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.032 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 103.3 | 171.7 | -71.4 | -102.3 | 0 | 0 | 0 | 109.3 | I153 L295 Y296 K330 I331 I332 | I153-N299 HydrophobicContact CG2-CB 4.12Å; I153-N299 VanDerWaalsContact CG2-CG 3.49Å; I153-N299 WeakPolarHBondContact CG2-OD1 3.31Å; I153-N299 CarbonylContact O-C 3.54Å; I153-N299 WeakPolarHBondContact O-CA 3.26Å; L295-N299 PolarHBondContact O-ND2 3.4Å; L295-N299 VanDerWaalsContact O-ND2 3.14Å; Y296-N299 WeakPolarHBondContact CA-ND2 3.5Å; Y296-N299 PolarHBondContact O-ND2 3.38Å; N299-K330 WeakPolarHBondContact CB-O 3.39Å; N299-K330 PolarHBondContact N-O 3.11Å; N299-K330 VanDerWaalsContact N-O 3.11Å; N299-I331 HydrophobicContact CB-CD1 3.62Å; N299-I331 CarbonylContact O-C 3.52Å; N299-I331 WeakPolarHBondContact O-CA 3.45Å; N299-I332 PolarHBondContact O-N 2.91Å |
| 300 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 128.2 | -178.1 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | L144 I153 V154 L155 N298 I332 | L144-V300 HydrophobicContact CD1-CG2 3.77Å; I153-V300 PolarHBondContact O-N 3.03Å; V154-V300 CarbonylContact C-O 3.57Å; V154-V300 VanDerWaalsContact CA-O 3.31Å; V154-V300 WeakPolarHBondContact CA-O 3.33Å; V154-V300 HydrophobicContact CG2-CB 4.23Å; L155-V300 PolarHBondContact N-O 2.85Å; N298-V300 PolarHBondContact O-N 3Å; V300-I332 WeakPolarHBondContact CA-O 3.31Å; V300-I332 HydrophobicContact CG2-CB 4.17Å; V300-I332 HydrophobicContact CG2-CD1 3.94Å; V300-I332 HydrophobicContact CG2-CG2 4.41Å |
| 301 | L | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 130.6 | 173.3 | -53.4 | -168.4 | 0 | 0 | 0 | 109.8 | L155 T306 I311 A312 I331 I332 A333 R337 | L155-L301 HydrophobicContact CB-CD2 3.93Å; L155-L301 HydrophobicContact CD2-CD2 3.95Å; L301-T306 HydrophobicContact CB-CG2 4.36Å; L301-I311 HydrophobicContact CD1-CG2 3.98Å; L301-A312 HydrophobicContact CD1-CB 4.11Å; L301-I331 HydrophobicContact CD1-CG2 3.81Å; L301-I331 HydrophobicContact CD2-CG2 4.05Å; L301-I331 HydrophobicContact CG-CG2 3.75Å; L301-I332 PolarHBondContact N-O 3.42Å; L301-A333 HydrophobicContact CB-CB 4.35Å; L301-A333 HydrophobicContact CD1-CB 3.97Å; L301-A333 HydrophobicContact CG-CB 4.3Å; L301-R337 WeakPolarHBondContact O-CB 3.23Å |
| 302 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 154.9 | 178.5 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | S143 L155 D156 S157 T306 | S143-S302 WeakPolarHBondContact CB-OG 3.5Å; S143-S302 WeakPolarHBondContact OG-CB 3.42Å; S143-S302 PolarHBondContact OG-OG 3.49Å; L155-S302 PolarHBondContact O-N 2.83Å; D156-S302 WeakPolarHBondContact CA-O 3.29Å; S157-S302 PolarHBondContact N-O 3.22Å; S302-T306 WeakPolarHBondContact O-CG2 3.28Å; S302-T306 PolarHBondContact O-OG1 2.93Å |
| 303 | G | 98 | Very high | 98.3 | Very high | 8 Ų | 8 | 32 Ų | 32 | 8% | 0.082 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 90.2 | 158.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | S157 T305 T306 R337 | S157-G303 CarbonylContact O-C 3.5Å; S157-G303 WeakPolarHBondContact O-CA 3.26Å; G303-T305 VanDerWaalsContact C-N 3.34Å; G303-T305 PolarHBondContact O-N 3.01Å; G303-T306 PolarHBondContact O-N 3.05Å; G303-T306 VanDerWaalsContact O-N 3.16Å; G303-T306 PolarHBondContact O-OG1 3.4Å; G303-R337 PolarHBondContact N-O 2.81Å; G303-R337 VanDerWaalsContact N-O 3.09Å |
| 304 | G | 97.5 | Very high | 98.4 | Very high | 43 Ų | 43 | 25.6 Ų | 25.6 | 44% | 0.443 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -63.1 | -33.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S157 T306 M307 | S157-G304 PolarHBondContact O-N 3.2Å; G304-T306 PolarHBondContact O-N 2.81Å; G304-M307 WeakPolarHBondContact O-CB 3.48Å; G304-M307 VanDerWaalsContact O-CG 3.23Å; G304-M307 WeakPolarHBondContact O-CG 3.48Å; G304-M307 PolarHBondContact O-N 2.93Å |
| 305 | T | 98.5 | Very high | 98.5 | Very high | 9 Ų | 9 | 22.3 Ų | 22.3 | 6% | 0.055 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -71.6 | -21.6 | 179.7 | -65.9 | 0 | 0 | 0 | 0 | 111.9 | S157 G158 G184 L187 L263 G303 M307 Y308 | S157-T305 WeakPolarHBondContact O-CB 3.5Å; S157-T305 PolarHBondContact O-N 3.45Å; S157-T305 VanDerWaalsContact OG-CB 3.25Å; S157-T305 WeakPolarHBondContact OG-CB 3.46Å; S157-T305 VanDerWaalsContact OG-CG2 3.27Å; S157-T305 WeakPolarHBondContact OG-CG2 3.45Å; G158-T305 PolarHBondContact O-OG1 2.92Å; G184-T305 WeakPolarHBondContact CA-OG1 3.43Å; G184-T305 PolarHBondContact N-OG1 3.37Å; L187-T305 HydrophobicContact CD1-CG2 3.69Å; L263-T305 HydrophobicContact CD1-CG2 3.77Å; L263-T305 HydrophobicContact CD2-CG2 4.11Å; G303-T305 VanDerWaalsContact C-N 3.34Å; G303-T305 PolarHBondContact O-N 3.01Å; T305-M307 PolarHBondContact O-N 3.36Å; T305-Y308 HydrophobicContact CG2-CE2 4.2Å; T305-Y308 WeakPolarHBondContact O-CD2 3.4Å |
| 306 | T | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -79 | 4.4 | 171.6 | 75.4 | 0 | 0 | 0 | 0 | 113.5 | L155 L301 S302 G303 G304 Y308 I311 R337 | L155-T306 HydrophobicContact CD2-CG2 4.15Å; L155-T306 HydrophobicContact CG-CG2 4.43Å; L301-T306 HydrophobicContact CB-CG2 4.36Å; S302-T306 WeakPolarHBondContact O-CG2 3.28Å; S302-T306 PolarHBondContact O-OG1 2.93Å; G303-T306 PolarHBondContact O-N 3.05Å; G303-T306 VanDerWaalsContact O-N 3.16Å; G303-T306 PolarHBondContact O-OG1 3.4Å; G304-T306 PolarHBondContact O-N 2.81Å; T306-Y308 VanDerWaalsContact C-N 3.28Å; T306-Y308 PolarHBondContact O-N 2.83Å; T306-I311 VanDerWaalsContact O-CG2 3.3Å; T306-I311 WeakPolarHBondContact O-CG2 3.34Å; T306-R337 VanDerWaalsContact O-CZ 3.27Å; T306-R337 PolarHBondContact O-NE 3.21Å; T306-R337 PolarHBondContact O-NH2 2.9Å; T306-R337 WeakPolarHBondContact OG1-CD 3.35Å; T306-R337 PolarHBondContact OG1-NE 2.81Å |
| 307 | M | 98.4 | Very high | 98.5 | Very high | 66 Ų | 66 | 29 Ų | 29 | 33% | 0.325 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -78.5 | -7.8 | 178.7 | -65.1 | -63 | -63.2 | 0 | 0 | 113.9 | G304 T305 R337 K338 | G304-M307 WeakPolarHBondContact O-CB 3.48Å; G304-M307 VanDerWaalsContact O-CG 3.23Å; G304-M307 WeakPolarHBondContact O-CG 3.48Å; G304-M307 PolarHBondContact O-N 2.93Å; T305-M307 PolarHBondContact O-N 3.36Å; M307-R337 HydrophobicContact SD-CG 3.49Å; M307-R337 WeakPolarHBondContact SD-CG 3.42Å; M307-K338 HydrophobicContact CE-CG 4.41Å; M307-K338 HydrophobicContact CG-CB 3.98Å; M307-K338 HydrophobicContact SD-CB 3.95Å; M307-K338 HydrophobicContact SD-CG 4.23Å |
| 308 | Y | 98.6 | Very high | 98.5 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 6% | 0.059 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -56 | 132.4 | 177.8 | -72.3 | -59.4 | 0 | 0 | 0 | 112.2 | L187 K215 C219 V221 P260 L263 T305 T306 G310 I311 | L187-Y308 HydrophobicContact CD1-CE2 3.7Å; L187-Y308 WeakPolarHBondContact CD1-OH 3.03Å; K215-Y308 VanDerWaalsContact CD-OH 3.24Å; K215-Y308 WeakPolarHBondContact CD-OH 3.34Å; K215-Y308 HydrophobicContact CG-CE1 4.3Å; K215-Y308 WeakPolarHBondContact CG-OH 3.17Å; C219-Y308 HydrophobicContact CB-CD1 4.16Å; C219-Y308 HydrophobicContact CB-CE1 3.62Å; V221-Y308 HydrophobicContact CG2-CD2 4.42Å; V221-Y308 HydrophobicContact CG2-CG 4.37Å; P260-Y308 HydrophobicContact CB-CD1 4.41Å; P260-Y308 HydrophobicContact CB-CD2 3.8Å; P260-Y308 HydrophobicContact CB-CE1 4.32Å; P260-Y308 HydrophobicContact CB-CE2 3.65Å; P260-Y308 HydrophobicContact CB-CG 4.17Å; L263-Y308 HydrophobicContact CD1-CD2 4.38Å; L263-Y308 HydrophobicContact CD1-CE2 4.29Å; T305-Y308 HydrophobicContact CG2-CE2 4.2Å; T305-Y308 WeakPolarHBondContact O-CD2 3.4Å; T306-Y308 VanDerWaalsContact C-N 3.28Å; T306-Y308 PolarHBondContact O-N 2.83Å; Y308-G310 PolarHBondContact O-N 2.83Å; Y308-I311 VanDerWaalsContact O-CG2 3.23Å; Y308-I311 WeakPolarHBondContact O-CG2 3.14Å; Y308-I311 PolarHBondContact O-N 2.98Å |
| 309 | P | 98.7 | Very high | 98.5 | Very high | 85 Ų | 85 | 28 Ų | 28 | 55% | 0.552 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 140.1 | 166.3 | -22.8 | 33.5 | 0 | 0 | 0 | 110.6 | V221 I311 | V221-P309 PolarHBondContact N-O 3.13Å; P309-I311 VanDerWaalsContact C-N 3.3Å; P309-I311 PolarHBondContact O-N 3.49Å |
| 310 | G | 98.6 | Very high | 98.5 | Very high | 27 Ų | 27 | 31.2 Ų | 31.2 | 28% | 0.278 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -10.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y308 A312 D313 R314 | Y308-G310 PolarHBondContact O-N 2.83Å; G310-A312 VanDerWaalsContact C-N 3.33Å; G310-A312 PolarHBondContact O-N 2.73Å; G310-D313 PolarHBondContact O-N 3.05Å; G310-R314 PolarHBondContact O-N 3.48Å |
| 311 | I | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.7 | -37.8 | -177 | -164.2 | 175.3 | 0 | 0 | 0 | 112.7 | V221 L263 F264 I276 L301 T306 Y308 P309 R314 M315 | V221-I311 HydrophobicContact CB-CB 4.31Å; V221-I311 HydrophobicContact CG2-CB 3.93Å; V221-I311 HydrophobicContact CG2-CG1 4.12Å; L263-I311 HydrophobicContact CD1-CD1 4.48Å; F264-I311 HydrophobicContact CE2-CG1 4.42Å; F264-I311 HydrophobicContact CZ-CG1 4.18Å; I276-I311 HydrophobicContact CD1-CD1 4.13Å; I276-I311 HydrophobicContact CD1-CG1 4.48Å; L301-I311 HydrophobicContact CD1-CG2 3.98Å; T306-I311 VanDerWaalsContact O-CG2 3.3Å; T306-I311 WeakPolarHBondContact O-CG2 3.34Å; Y308-I311 VanDerWaalsContact O-CG2 3.23Å; Y308-I311 WeakPolarHBondContact O-CG2 3.14Å; Y308-I311 PolarHBondContact O-N 2.98Å; P309-I311 VanDerWaalsContact C-N 3.3Å; P309-I311 PolarHBondContact O-N 3.49Å; I311-R314 PolarHBondContact O-N 2.95Å; I311-M315 HydrophobicContact CG1-CG 4.39Å; I311-M315 WeakPolarHBondContact O-CB 3.35Å; I311-M315 VanDerWaalsContact O-CG 3.26Å; I311-M315 WeakPolarHBondContact O-CG 3.49Å; I311-M315 PolarHBondContact O-N 2.96Å |
| 312 | A | 98.7 | Very high | 98.4 | Very high | 26 Ų | 26 | 38.1 Ų | 38.1 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66 | -42.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L301 G310 M315 Q316 I331 A333 | L301-A312 HydrophobicContact CD1-CB 4.11Å; G310-A312 VanDerWaalsContact C-N 3.33Å; G310-A312 PolarHBondContact O-N 2.73Å; A312-M315 PolarHBondContact O-N 3.24Å; A312-Q316 VanDerWaalsContact O-CB 3.31Å; A312-Q316 WeakPolarHBondContact O-CB 3.48Å; A312-Q316 PolarHBondContact O-N 3.47Å; A312-I331 HydrophobicContact CB-CG2 3.97Å; A312-A333 HydrophobicContact CB-CB 3.99Å |
| 313 | D | 98.7 | Very high | 98.4 | Very high | 106 Ų | 106 | 38.6 Ų | 38.6 | 57% | 0.567 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -67.5 | -41.8 | 178.4 | -57.3 | -54.9 | 0 | 0 | 0 | 111.4 | L223 G310 Q316 K317 | L223-D313 HydrophobicContact CD1-CB 4.16Å; G310-D313 PolarHBondContact O-N 3.05Å; D313-Q316 WeakPolarHBondContact O-CB 3.46Å; D313-Q316 PolarHBondContact O-N 3.35Å; D313-K317 PolarHBondContact O-N 2.9Å |
| 314 | R | 98.8 | Very high | 98.2 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.3 | -47.8 | 174.5 | -175.3 | 65.2 | 176.4 | -72 | -8.6 | 111.3 | V221 A222 L223 E261 F264 G310 I311 Q316 K317 E318 | V221-R314 HydrophobicContact CG1-CB 3.48Å; V221-R314 VanDerWaalsContact CG1-CB 3.48Å; V221-R314 HydrophobicContact CG1-CG 3.69Å; A222-R314 WeakPolarHBondContact O-CD 3.28Å; A222-R314 PolarHBondContact O-NH1 2.89Å; L223-R314 WeakPolarHBondContact O-CD 3.48Å; E261-R314 IonicContact OE1-CZ 2.98Å; E261-R314 IonicContact OE1-NH1 3.16Å; E261-R314 PolarHBondContact OE1-NH1 3.01Å; E261-R314 IonicContact OE1-NH2 2.67Å; E261-R314 PolarHBondContact OE1-NH2 3.25Å; E261-R314 IonicContact OE2-CZ 3.08Å; E261-R314 IonicContact OE2-NH1 2.78Å; E261-R314 PolarHBondContact OE2-NH1 3.3Å; E261-R314 IonicContact OE2-NH2 3.94Å; F264-R314 HydrophobicContact CD1-CG 3.87Å; F264-R314 HydrophobicContact CD2-CG 4.49Å; F264-R314 HydrophobicContact CE1-CB 4.16Å; F264-R314 HydrophobicContact CE1-CG 3.35Å; F264-R314 HydrophobicContact CE2-CG 4.02Å; F264-R314 HydrophobicContact CG-CG 4.44Å; F264-R314 HydrophobicContact CZ-CB 3.9Å; F264-R314 HydrophobicContact CZ-CG 3.43Å; F264-R314 VanDerWaalsContact CZ-CG 3.43Å; G310-R314 PolarHBondContact O-N 3.48Å; I311-R314 PolarHBondContact O-N 2.95Å; R314-Q316 VanDerWaalsContact C-N 3.28Å; R314-Q316 PolarHBondContact O-N 2.87Å; R314-K317 PolarHBondContact O-N 3.08Å; R314-E318 HydrophobicContact CG-CG 4.27Å; R314-E318 IonicContact CZ-OE1 3.58Å; R314-E318 IonicContact NE-OE1 2.98Å; R314-E318 PolarHBondContact NE-OE1 2.83Å; R314-E318 IonicContact NH2-OE1 3.58Å; R314-E318 PolarHBondContact NH2-OE1 3.31Å; R314-E318 VanDerWaalsContact O-CG 3.31Å; R314-E318 WeakPolarHBondContact O-CG 3.48Å; R314-E318 PolarHBondContact O-N 3.36Å |
| 315 | M | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.1 | -41.1 | 174.5 | -75.9 | -65.7 | -72.4 | 0 | 0 | 112 | L155 F264 I276 H277 A280 I311 A312 I319 I331 | L155-M315 HydrophobicContact CD2-CE 4.15Å; F264-M315 HydrophobicContact CE1-CG 4.34Å; F264-M315 HydrophobicContact CE1-SD 3.89Å; F264-M315 HydrophobicContact CZ-CG 4.25Å; F264-M315 HydrophobicContact CZ-SD 4.21Å; I276-M315 HydrophobicContact CD1-SD 3.78Å; I276-M315 HydrophobicContact CG1-SD 3.82Å; H277-M315 HydrophobicContact CB-SD 3.87Å; A280-M315 HydrophobicContact CB-CE 4.2Å; I311-M315 HydrophobicContact CG1-CG 4.39Å; I311-M315 WeakPolarHBondContact O-CB 3.35Å; I311-M315 VanDerWaalsContact O-CG 3.26Å; I311-M315 WeakPolarHBondContact O-CG 3.49Å; I311-M315 PolarHBondContact O-N 2.96Å; A312-M315 PolarHBondContact O-N 3.24Å; M315-I319 HydrophobicContact CE-CD1 3.61Å; M315-I319 HydrophobicContact CE-CG1 4.43Å; M315-I319 WeakPolarHBondContact O-CB 3.47Å; M315-I319 WeakPolarHBondContact O-CG1 3.4Å; M315-I319 PolarHBondContact O-N 3.49Å; M315-I331 HydrophobicContact CB-CD1 4.1Å; M315-I331 HydrophobicContact CB-CG1 4.13Å |
| 316 | Q | 98.7 | Very high | 97.8 | Very high | 62 Ų | 62 | 50.5 Ų | 50.5 | 29% | 0.29 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 176.9 | -177.3 | 69.7 | 60.4 | 0 | 0 | 111.1 | A312 D313 R314 T320 I329 I331 | A312-Q316 VanDerWaalsContact O-CB 3.31Å; A312-Q316 WeakPolarHBondContact O-CB 3.48Å; A312-Q316 PolarHBondContact O-N 3.47Å; D313-Q316 WeakPolarHBondContact O-CB 3.46Å; D313-Q316 PolarHBondContact O-N 3.35Å; R314-Q316 VanDerWaalsContact C-N 3.28Å; R314-Q316 PolarHBondContact O-N 2.87Å; Q316-T320 PolarHBondContact NE2-OG1 3.14Å; Q316-T320 WeakPolarHBondContact O-CB 3.22Å; Q316-T320 PolarHBondContact O-N 2.96Å; Q316-T320 VanDerWaalsContact O-N 3.13Å; Q316-T320 PolarHBondContact O-OG1 3.18Å; Q316-I329 PolarHBondContact NE2-O 3.2Å; Q316-I329 PolarHBondContact OE1-O 3.05Å; Q316-I331 HydrophobicContact CB-CG1 3.75Å |
| 317 | K | 98.6 | Very high | 97.6 | Very high | 80 Ų | 80 | 52.9 Ų | 52.9 | 35% | 0.348 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.3 | -54.8 | 176.7 | 177.6 | -171.9 | 174.5 | -171 | 0 | 110.9 | L223 D224 D313 R314 T320 A321 | L223-K317 HydrophobicContact CD1-CB 4.1Å; L223-K317 HydrophobicContact CD1-CD 3.93Å; L223-K317 HydrophobicContact CG-CD 4.2Å; L223-K317 WeakPolarHBondContact O-CD 3.37Å; L223-K317 PolarHBondContact O-NZ 3.36Å; D224-K317 IonicContact OD2-NZ 2.77Å; D224-K317 PolarHBondContact OD2-NZ 2.78Å; D224-K317 VanDerWaalsContact OD2-NZ 3.08Å; D313-K317 PolarHBondContact O-N 2.9Å; R314-K317 PolarHBondContact O-N 3.08Å; K317-T320 PolarHBondContact O-N 3.47Å; K317-A321 PolarHBondContact O-N 3.17Å; K317-A321 VanDerWaalsContact O-N 3.09Å |
| 318 | E | 98.6 | Very high | 97.5 | Very high | 38 Ų | 38 | 57.8 Ų | 57.8 | 18% | 0.178 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.9 | -44 | -171.5 | -61.4 | -59.3 | 173.6 | 0 | 0 | 112.5 | F264 H277 R314 T320 A321 L322 | F264-E318 HydrophobicContact CD1-CG 4.36Å; F264-E318 HydrophobicContact CE1-CG 4.46Å; H277-E318 HydrophobicContact CB-CB 3.64Å; H277-E318 HydrophobicContact CB-CG 4.31Å; R314-E318 HydrophobicContact CG-CG 4.27Å; R314-E318 IonicContact CZ-OE1 3.58Å; R314-E318 IonicContact NE-OE1 2.98Å; R314-E318 PolarHBondContact NE-OE1 2.83Å; R314-E318 IonicContact NH2-OE1 3.58Å; R314-E318 PolarHBondContact NH2-OE1 3.31Å; R314-E318 VanDerWaalsContact O-CG 3.31Å; R314-E318 WeakPolarHBondContact O-CG 3.48Å; R314-E318 PolarHBondContact O-N 3.36Å; E318-T320 VanDerWaalsContact C-N 3.31Å; E318-T320 PolarHBondContact O-N 3.38Å; E318-A321 PolarHBondContact O-N 3.39Å; E318-L322 WeakPolarHBondContact O-CG 3.49Å; E318-L322 PolarHBondContact O-N 3.11Å; E318-L322 VanDerWaalsContact O-N 3.12Å |
| 319 | I | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.5 | -35.9 | 177.6 | -65.5 | 176.6 | 0 | 0 | 0 | 110.9 | H277 A280 Y296 M315 A321 L322 A323 I329 I331 | H277-I319 HydrophobicContact CB-CG1 4.48Å; A280-I319 HydrophobicContact CB-CD1 3.96Å; Y296-I319 HydrophobicContact CD1-CG2 4.03Å; Y296-I319 HydrophobicContact CE1-CG2 3.97Å; M315-I319 HydrophobicContact CE-CD1 3.61Å; M315-I319 HydrophobicContact CE-CG1 4.43Å; M315-I319 WeakPolarHBondContact O-CB 3.47Å; M315-I319 WeakPolarHBondContact O-CG1 3.4Å; M315-I319 PolarHBondContact O-N 3.49Å; I319-A321 VanDerWaalsContact C-N 3.29Å; I319-A321 PolarHBondContact O-N 3.16Å; I319-L322 PolarHBondContact O-N 3.48Å; I319-A323 WeakPolarHBondContact O-CB 3.22Å; I319-A323 PolarHBondContact O-N 3.39Å; I319-I329 HydrophobicContact CB-CG2 4.01Å; I319-I329 HydrophobicContact CG2-CD1 4.1Å; I319-I329 HydrophobicContact CG2-CG1 4.14Å; I319-I329 HydrophobicContact CG2-CG2 3.59Å; I319-I331 HydrophobicContact CD1-CD1 4.09Å |
| 320 | T | 98.1 | Very high | 97.5 | Very high | 74 Ų | 74 | 58.4 Ų | 58.4 | 45% | 0.454 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.4 | -34.6 | 175.9 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | Q316 K317 E318 | Q316-T320 PolarHBondContact NE2-OG1 3.14Å; Q316-T320 WeakPolarHBondContact O-CB 3.22Å; Q316-T320 PolarHBondContact O-N 2.96Å; Q316-T320 VanDerWaalsContact O-N 3.13Å; Q316-T320 PolarHBondContact O-OG1 3.18Å; K317-T320 PolarHBondContact O-N 3.47Å; E318-T320 VanDerWaalsContact C-N 3.31Å; E318-T320 PolarHBondContact O-N 3.38Å |
| 321 | A | 98 | Very high | 97.5 | Very high | 81 Ų | 81 | 58.2 Ų | 58.2 | 67% | 0.669 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -71.6 | -33.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K317 E318 I319 | K317-A321 PolarHBondContact O-N 3.17Å; K317-A321 VanDerWaalsContact O-N 3.09Å; E318-A321 PolarHBondContact O-N 3.39Å; I319-A321 VanDerWaalsContact C-N 3.29Å; I319-A321 PolarHBondContact O-N 3.16Å |
| 322 | L | 97.8 | Very high | 97.5 | Very high | 67 Ų | 67 | 59.1 Ų | 59.1 | 35% | 0.351 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -83.6 | -35.9 | 179.8 | -66.3 | 174.7 | 0 | 0 | 0 | 113.4 | E278 Y281 E318 I319 | E278-L322 HydrophobicContact CG-CD1 4.1Å; Y281-L322 HydrophobicContact CD2-CB 3.7Å; Y281-L322 HydrophobicContact CE2-CB 4.15Å; Y281-L322 VanDerWaalsContact CE2-O 3.24Å; Y281-L322 WeakPolarHBondContact CE2-O 3.35Å; Y281-L322 HydrophobicContact CG-CB 3.94Å; Y281-L322 HydrophobicContact CG-CD1 4.19Å; E318-L322 WeakPolarHBondContact O-CG 3.49Å; E318-L322 PolarHBondContact O-N 3.11Å; E318-L322 VanDerWaalsContact O-N 3.12Å; I319-L322 PolarHBondContact O-N 3.48Å |
| 323 | A | 96.7 | Very high | 97.5 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 8% | 0.083 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -73.8 | 154.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y296 I319 S325 M327 I329 | Y296-A323 HydrophobicContact CD1-CB 4.25Å; Y296-A323 HydrophobicContact CE1-CB 3.67Å; Y296-A323 HydrophobicContact CE2-CB 4.31Å; I319-A323 WeakPolarHBondContact O-CB 3.22Å; I319-A323 PolarHBondContact O-N 3.39Å; A323-S325 PolarHBondContact O-N 3.17Å; A323-M327 HydrophobicContact CB-CB 4.48Å; A323-I329 HydrophobicContact CB-CD1 3.65Å; A323-I329 HydrophobicContact CB-CG1 4.25Å |
| 324 | P | 94.9 | Very high | 97.4 | Very high | 55 Ų | 55 | 55.3 Ų | 55.3 | 36% | 0.357 | 31% | 0.312 | S | S | . | . | trans | -55.8 | 138.8 | 171.8 | -22.9 | 32.7 | 0 | 0 | 0 | 111.4 | T326 M327 | P324-T326 PolarHBondContact O-N 3.44Å; P324-M327 HydrophobicContact CB-CG 4.13Å; P324-M327 HydrophobicContact CG-CG 4.25Å; P324-M327 WeakPolarHBondContact O-CB 3.42Å; P324-M327 PolarHBondContact O-N 2.84Å | ||
| 325 | S | 93.8 | Very high | 97.3 | Very high | 129 Ų | 129 | 59.7 Ų | 59.7 | 90% | 0.902 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -16.8 | -175.2 | 56.7 | 0 | 0 | 0 | 0 | 115 | A323 M327 | A323-S325 PolarHBondContact O-N 3.17Å; S325-M327 VanDerWaalsContact C-N 3.33Å |
| 326 | T | 93.8 | Very high | 97.2 | Very high | 125 Ų | 125 | 64 Ų | 64 | 77% | 0.767 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -14.1 | 174.3 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | P324 | P324-T326 PolarHBondContact O-N 3.44Š|
| 327 | M | 95.3 | Very high | 97.1 | Very high | 50 Ų | 50 | 62.4 Ų | 62.4 | 25% | 0.246 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -85.7 | 133.6 | -177.6 | -63.4 | -62 | 176.8 | 0 | 0 | 110.8 | K293 Y296 A323 P324 S325 I329 | K293-M327 HydrophobicContact CB-SD 4.23Å; Y296-M327 HydrophobicContact CD2-CB 3.92Å; Y296-M327 HydrophobicContact CD2-CG 3.7Å; Y296-M327 HydrophobicContact CD2-SD 4.02Å; Y296-M327 HydrophobicContact CE2-CB 4.41Å; Y296-M327 HydrophobicContact CE2-CG 3.93Å; Y296-M327 HydrophobicContact CG-CB 4.33Å; A323-M327 HydrophobicContact CB-CB 4.48Å; P324-M327 HydrophobicContact CB-CG 4.13Å; P324-M327 HydrophobicContact CG-CG 4.25Å; P324-M327 WeakPolarHBondContact O-CB 3.42Å; P324-M327 PolarHBondContact O-N 2.84Å; S325-M327 VanDerWaalsContact C-N 3.33Å; M327-I329 HydrophobicContact CB-CD1 4.03Å |
| 328 | K | 96 | Very high | 97.1 | Very high | 169 Ų | 169 | 62.6 Ų | 62.6 | 74% | 0.735 | 35% | 0.354 | S | S | * | . | trans | -90.6 | 113.8 | 171.7 | -176 | 177.6 | -179.1 | 177.2 | 0 | 109.1 | Y296 | Y296-K328 CarbonylContact C-O 3.3Š| ||
| 329 | I | 98.1 | Very high | 97 | Very high | 14 Ų | 14 | 63.7 Ų | 63.7 | 7% | 0.072 | 36% | 0.357 | C | S | . | . | trans | -90.3 | 132.3 | 178.9 | -47.8 | -47.2 | 0 | 0 | 0 | 109.3 | Y296 Q316 I319 A323 M327 I331 | Y296-I329 HydrophobicContact CD1-CD1 3.34Å; Y296-I329 HydrophobicContact CD2-CD1 4.42Å; Y296-I329 HydrophobicContact CE1-CD1 4.07Å; Y296-I329 HydrophobicContact CG-CD1 3.56Å; Y296-I329 WeakPolarHBondContact O-CA 3.23Å; Q316-I329 PolarHBondContact NE2-O 3.2Å; Q316-I329 PolarHBondContact OE1-O 3.05Å; I319-I329 HydrophobicContact CB-CG2 4.01Å; I319-I329 HydrophobicContact CG2-CD1 4.1Å; I319-I329 HydrophobicContact CG2-CG1 4.14Å; I319-I329 HydrophobicContact CG2-CG2 3.59Å; A323-I329 HydrophobicContact CB-CD1 3.65Å; A323-I329 HydrophobicContact CB-CG1 4.25Å; M327-I329 HydrophobicContact CB-CD1 4.03Å; I329-I331 HydrophobicContact CG2-CD1 4.28Å | ||
| 330 | K | 98.4 | Very high | 97 | Very high | 99 Ų | 99 | 63.8 Ų | 63.8 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | trans | -136.9 | 118.8 | 172.8 | 178.8 | -176.3 | 179.9 | -177.6 | 0 | 110.3 | Y296 A297 N299 I332 | Y296-K330 PolarHBondContact O-N 3.44Å; A297-K330 WeakPolarHBondContact O-CB 3.35Å; N299-K330 WeakPolarHBondContact CB-O 3.39Å; N299-K330 PolarHBondContact N-O 3.11Å; N299-K330 VanDerWaalsContact N-O 3.11Å; K330-I332 HydrophobicContact CD-CG1 4.37Å; K330-I332 HydrophobicContact CG-CG1 4.25Å | ||
| 331 | I | 98.6 | Very high | 97 | Very high | 24 Ų | 24 | 60.6 Ų | 60.6 | 12% | 0.123 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 133.4 | 169.4 | -49.7 | -51.5 | 0 | 0 | 0 | 109.7 | N299 L301 A312 M315 Q316 I319 I329 | N299-I331 HydrophobicContact CB-CD1 3.62Å; N299-I331 CarbonylContact O-C 3.52Å; N299-I331 WeakPolarHBondContact O-CA 3.45Å; L301-I331 HydrophobicContact CD1-CG2 3.81Å; L301-I331 HydrophobicContact CD2-CG2 4.05Å; L301-I331 HydrophobicContact CG-CG2 3.75Å; A312-I331 HydrophobicContact CB-CG2 3.97Å; M315-I331 HydrophobicContact CB-CD1 4.1Å; M315-I331 HydrophobicContact CB-CG1 4.13Å; Q316-I331 HydrophobicContact CB-CG1 3.75Å; I319-I331 HydrophobicContact CD1-CD1 4.09Å; I329-I331 HydrophobicContact CG2-CD1 4.28Å |
| 332 | I | 98.5 | Very high | 97.1 | Very high | 21 Ų | 21 | 56.8 Ų | 56.8 | 11% | 0.108 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 111.1 | 179.6 | -60.2 | 155.7 | 0 | 0 | 0 | 106.9 | R149 N298 N299 V300 L301 K330 P334 | R149-I332 VanDerWaalsContact CZ-CD1 3.46Å; R149-I332 VanDerWaalsContact NE-CD1 3.33Å; N298-I332 HydrophobicContact CB-CD1 4.37Å; N299-I332 PolarHBondContact O-N 2.91Å; V300-I332 WeakPolarHBondContact CA-O 3.31Å; V300-I332 HydrophobicContact CG2-CB 4.17Å; V300-I332 HydrophobicContact CG2-CD1 3.94Å; V300-I332 HydrophobicContact CG2-CG2 4.41Å; L301-I332 PolarHBondContact N-O 3.42Å; K330-I332 HydrophobicContact CD-CG1 4.37Å; K330-I332 HydrophobicContact CG-CG1 4.25Å; I332-P334 HydrophobicContact CG2-CG 4.36Å |
| 333 | A | 98.2 | Very high | 97.1 | Very high | 35 Ų | 35 | 55 Ų | 55 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | trans | -124.6 | 83.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | L301 A312 | L301-A333 HydrophobicContact CB-CB 4.35Å; L301-A333 HydrophobicContact CD1-CB 3.97Å; L301-A333 HydrophobicContact CG-CB 4.3Å; A312-A333 HydrophobicContact CB-CB 3.99Å | ||
| 334 | P | 97.2 | Very high | 97.1 | Very high | 17 Ų | 17 | 54.5 Ų | 54.5 | 11% | 0.11 | 29% | 0.293 | C | S | . | . | trans | -56 | 141.9 | 177 | -22.8 | 33.7 | 0 | 0 | 0 | 111 | I332 E336 R337 | I332-P334 HydrophobicContact CG2-CG 4.36Å; P334-E336 WeakPolarHBondContact CB-OE1 3.44Å; P334-E336 PolarHBondContact O-N 2.59Å; P334-R337 HydrophobicContact CB-CB 4.28Å; P334-R337 WeakPolarHBondContact O-CB 3.32Å; P334-R337 WeakPolarHBondContact O-CD 3.21Å; P334-R337 WeakPolarHBondContact O-CG 3.48Å; P334-R337 PolarHBondContact O-N 3.19Å; P334-R337 VanDerWaalsContact O-N 3.13Å; P334-R337 PolarHBondContact O-NH1 3.47Å | ||
| 335 | P | 97 | Very high | 97.3 | Very high | 103 Ų | 103 | 51.9 Ų | 51.9 | 67% | 0.669 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -36.6 | 177.8 | -26.1 | 34.5 | 0 | 0 | 0 | 113.3 | R337 | P335-R337 VanDerWaalsContact C-N 3.3Å; P335-R337 PolarHBondContact O-N 3.02Å |
| 336 | E | 96 | Very high | 97.5 | Very high | 91 Ų | 91 | 46 Ų | 46 | 43% | 0.425 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 11.7 | -179.8 | 64.7 | -73 | 165 | 0 | 0 | 113.7 | P334 K338 Y339 I343 | P334-E336 WeakPolarHBondContact CB-OE1 3.44Å; P334-E336 PolarHBondContact O-N 2.59Å; E336-K338 PolarHBondContact O-N 3.4Å; E336-Y339 WeakPolarHBondContact O-CA 3.32Å; E336-Y339 PolarHBondContact O-N 3.34Å; E336-I343 HydrophobicContact CB-CD1 4.29Å; E336-I343 HydrophobicContact CG-CD1 3.68Å |
| 337 | R | 97.5 | Very high | 97.6 | Very high | 28 Ų | 28 | 43.2 Ų | 43.2 | 11% | 0.106 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -58.3 | -18.3 | -171.9 | 67.5 | -170.8 | 172.9 | -77.1 | 2 | 116.8 | L301 G303 T306 M307 P334 P335 Y339 S340 | L301-R337 WeakPolarHBondContact O-CB 3.23Å; G303-R337 PolarHBondContact N-O 2.81Å; G303-R337 VanDerWaalsContact N-O 3.09Å; T306-R337 VanDerWaalsContact O-CZ 3.27Å; T306-R337 PolarHBondContact O-NE 3.21Å; T306-R337 PolarHBondContact O-NH2 2.9Å; T306-R337 WeakPolarHBondContact OG1-CD 3.35Å; T306-R337 PolarHBondContact OG1-NE 2.81Å; M307-R337 HydrophobicContact SD-CG 3.49Å; M307-R337 WeakPolarHBondContact SD-CG 3.42Å; P334-R337 HydrophobicContact CB-CB 4.28Å; P334-R337 WeakPolarHBondContact O-CB 3.32Å; P334-R337 WeakPolarHBondContact O-CD 3.21Å; P334-R337 WeakPolarHBondContact O-CG 3.48Å; P334-R337 PolarHBondContact O-N 3.19Å; P334-R337 VanDerWaalsContact O-N 3.13Å; P334-R337 PolarHBondContact O-NH1 3.47Å; P335-R337 VanDerWaalsContact C-N 3.3Å; P335-R337 PolarHBondContact O-N 3.02Å; R337-Y339 PolarHBondContact O-N 3.36Å; R337-S340 VanDerWaalsContact CA-OG 3.32Å; R337-S340 WeakPolarHBondContact CA-OG 3.43Å; R337-S340 PolarHBondContact O-N 2.71Å |
| 338 | K | 97.3 | Very high | 97.5 | Very high | 85 Ų | 85 | 41.9 Ų | 41.9 | 37% | 0.37 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -61.4 | -18.3 | 167.5 | 57.9 | 167.8 | 171.5 | 164.3 | 0 | 113.5 | K20 M307 E336 | K20-K338 WeakPolarHBondContact CE-O 3.24Å; M307-K338 HydrophobicContact CE-CG 4.41Å; M307-K338 HydrophobicContact CG-CB 3.98Å; M307-K338 HydrophobicContact SD-CB 3.95Å; M307-K338 HydrophobicContact SD-CG 4.23Å; E336-K338 PolarHBondContact O-N 3.4Å |
| 339 | Y | 97.9 | Very high | 97.5 | Very high | 61 Ų | 61 | 34 Ų | 34 | 24% | 0.239 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -116.1 | 3 | 179.8 | -53.6 | -42.7 | 0 | 0 | 0 | 112.9 | K20 P29 V32 E336 R337 V341 W342 I343 | K20-Y339 HydrophobicContact CD-CD1 3.81Å; K20-Y339 HydrophobicContact CD-CE1 4.41Å; P29-Y339 HydrophobicContact CG-CD1 4.23Å; P29-Y339 HydrophobicContact CG-CE1 4.5Å; P29-Y339 HydrophobicContact CG-CG 4.43Å; V32-Y339 HydrophobicContact CG2-CE1 4.14Å; E336-Y339 WeakPolarHBondContact O-CA 3.32Å; E336-Y339 PolarHBondContact O-N 3.34Å; R337-Y339 PolarHBondContact O-N 3.36Å; Y339-V341 VanDerWaalsContact C-N 3.27Å; Y339-V341 PolarHBondContact O-N 2.91Å; Y339-W342 PolarHBondContact O-N 3.26Å; Y339-I343 WeakPolarHBondContact O-CG1 3.41Å; Y339-I343 PolarHBondContact O-N 3.49Å |
| 340 | S | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.4 | -39.8 | -175.3 | -82 | 0 | 0 | 0 | 0 | 113.7 | A146 R337 W342 I343 G344 | A146-S340 VanDerWaalsContact CB-O 3.26Å; A146-S340 WeakPolarHBondContact CB-O 3.36Å; R337-S340 VanDerWaalsContact CA-OG 3.32Å; R337-S340 WeakPolarHBondContact CA-OG 3.43Å; R337-S340 PolarHBondContact O-N 2.71Å; S340-W342 PolarHBondContact O-N 3.13Å; S340-I343 PolarHBondContact O-N 3.08Å; S340-G344 PolarHBondContact O-N 2.86Å |
| 341 | V | 98.5 | Very high | 97 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.8 | -51.8 | 175.7 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | D13 T108 Q139 L142 S143 Y339 G344 G345 | D13-V341 HydrophobicContact CB-CG1 4.09Å; D13-V341 WeakPolarHBondContact OD1-CG1 3.48Å; T108-V341 HydrophobicContact CG2-CG1 3.81Å; Q139-V341 HydrophobicContact CB-CG1 3.93Å; Q139-V341 HydrophobicContact CB-CG2 3.9Å; Q139-V341 HydrophobicContact CG-CG1 3.79Å; Q139-V341 HydrophobicContact CG-CG2 4.42Å; L142-V341 WeakPolarHBondContact CB-O 3.37Å; L142-V341 HydrophobicContact CD1-CG1 4.31Å; S143-V341 WeakPolarHBondContact OG-CG2 3.35Å; Y339-V341 VanDerWaalsContact C-N 3.27Å; Y339-V341 PolarHBondContact O-N 2.91Å; V341-G344 PolarHBondContact O-N 3.23Å; V341-G345 PolarHBondContact O-N 2.91Å |
| 342 | W | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.2 | -42.9 | -178.2 | -176.2 | 91.4 | 0 | 0 | 0 | 111.3 | V11 D13 K20 D26 A28 P29 Y339 S340 G344 G345 S346 | V11-W342 HydrophobicContact CG1-CG 4.25Å; V11-W342 PolarHBondContact O-NE1 2.93Å; D13-W342 HydrophobicContact CB-CB 4.23Å; K20-W342 HydrophobicContact CB-CB 4.31Å; K20-W342 HydrophobicContact CB-CG 4.32Å; K20-W342 HydrophobicContact CD-CB 4.44Å; D26-W342 HydrophobicContact CB-CH2 3.83Å; D26-W342 WeakPolarHBondContact O-CH2 3.3Å; D26-W342 VanDerWaalsContact O-CZ3 3.32Å; D26-W342 WeakPolarHBondContact O-CZ3 3.15Å; A28-W342 VanDerWaalsContact CA-CZ3 3.49Å; A28-W342 VanDerWaalsContact O-CH2 3.23Å; A28-W342 WeakPolarHBondContact O-CH2 3.28Å; A28-W342 WeakPolarHBondContact O-CZ3 3.36Å; P29-W342 HydrophobicContact CB-CD2 3.73Å; P29-W342 HydrophobicContact CB-CE3 4.21Å; P29-W342 HydrophobicContact CB-CG 3.96Å; P29-W342 HydrophobicContact CB-CZ2 4.45Å; P29-W342 HydrophobicContact CG-CD2 4.29Å; P29-W342 HydrophobicContact CG-CE3 4.41Å; P29-W342 HydrophobicContact CG-CG 4.48Å; Y339-W342 PolarHBondContact O-N 3.26Å; S340-W342 PolarHBondContact O-N 3.13Å; W342-G344 VanDerWaalsContact C-N 3.3Å; W342-G344 PolarHBondContact O-N 3.48Å; W342-G345 PolarHBondContact O-N 3.33Å; W342-G345 VanDerWaalsContact O-N 3.14Å; W342-S346 PolarHBondContact O-N 3.21Å |
| 343 | I | 98.2 | Very high | 96.1 | Very high | 30 Ų | 30 | 43.1 Ų | 43.1 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 176.5 | -66.5 | 167.6 | 0 | 0 | 0 | 110.3 | A146 E336 Y339 S340 G345 S346 I347 | A146-I343 HydrophobicContact CB-CB 4.13Å; A146-I343 HydrophobicContact CB-CG2 3.92Å; E336-I343 HydrophobicContact CB-CD1 4.29Å; E336-I343 HydrophobicContact CG-CD1 3.68Å; Y339-I343 WeakPolarHBondContact O-CG1 3.41Å; Y339-I343 PolarHBondContact O-N 3.49Å; S340-I343 PolarHBondContact O-N 3.08Å; I343-G345 VanDerWaalsContact C-N 3.33Å; I343-G345 PolarHBondContact O-N 2.88Å; I343-S346 WeakPolarHBondContact O-CB 3.37Å; I343-S346 PolarHBondContact O-N 2.79Å; I343-I347 HydrophobicContact CG2-CD1 3.96Å; I343-I347 WeakPolarHBondContact O-CG1 3.43Å; I343-I347 PolarHBondContact O-N 2.93Å |
| 344 | G | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.7 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L142 S340 V341 W342 L348 | L142-G344 VanDerWaalsContact O-CA 3.23Å; L142-G344 WeakPolarHBondContact O-CA 3.39Å; S340-G344 PolarHBondContact O-N 2.86Å; V341-G344 PolarHBondContact O-N 3.23Å; W342-G344 VanDerWaalsContact C-N 3.3Å; W342-G344 PolarHBondContact O-N 3.48Å; G344-L348 VanDerWaalsContact O-CB 3.31Å; G344-L348 WeakPolarHBondContact O-CB 3.35Å; G344-L348 PolarHBondContact O-N 2.87Å |
| 345 | G | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.4 | -41.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V341 W342 I343 L348 A349 | V341-G345 PolarHBondContact O-N 2.91Å; W342-G345 PolarHBondContact O-N 3.33Å; W342-G345 VanDerWaalsContact O-N 3.14Å; I343-G345 VanDerWaalsContact C-N 3.33Å; I343-G345 PolarHBondContact O-N 2.88Å; G345-L348 PolarHBondContact O-N 3.04Å; G345-A349 VanDerWaalsContact O-CB 3.24Å; G345-A349 WeakPolarHBondContact O-CB 3.46Å; G345-A349 PolarHBondContact O-N 3.06Å |
| 346 | S | 97.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 176.1 | -179.9 | 0 | 0 | 0 | 0 | 111 | G25 D26 W342 I343 S350 | G25-S346 PolarHBondContact N-OG 3.43Å; D26-S346 PolarHBondContact N-OG 2.83Å; D26-S346 PolarHBondContact O-OG 2.93Å; W342-S346 PolarHBondContact O-N 3.21Å; I343-S346 WeakPolarHBondContact O-CB 3.37Å; I343-S346 PolarHBondContact O-N 2.79Å; S346-S350 VanDerWaalsContact O-CB 3.31Å; S346-S350 WeakPolarHBondContact O-CB 3.1Å; S346-S350 PolarHBondContact O-N 3.09Å; S346-S350 VanDerWaalsContact O-N 3.13Å; S346-S350 PolarHBondContact O-OG 2.92Å |
| 347 | I | 95.7 | Very high | 94.8 | Very high | 68 Ų | 68 | 46.9 Ų | 46.9 | 35% | 0.349 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60 | -55.9 | 174.7 | -67.1 | 165.4 | 0 | 0 | 0 | 110 | I343 A349 S350 L351 | I343-I347 HydrophobicContact CG2-CD1 3.96Å; I343-I347 WeakPolarHBondContact O-CG1 3.43Å; I343-I347 PolarHBondContact O-N 2.93Å; I347-A349 PolarHBondContact O-N 2.92Å; I347-S350 PolarHBondContact O-N 2.92Å; I347-S350 VanDerWaalsContact O-N 3.08Å; I347-S350 PolarHBondContact O-OG 3.29Å; I347-L351 WeakPolarHBondContact O-CG 3.43Å; I347-L351 PolarHBondContact O-N 3.36Å |
| 348 | L | 95.2 | Very high | 94.7 | Very high | 22 Ų | 22 | 46.3 Ų | 46.3 | 12% | 0.115 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.9 | -48.1 | -175.8 | -177.5 | 64.3 | 0 | 0 | 0 | 112.1 | L106 L142 Y145 G344 G345 S350 L351 F354 | L106-L348 HydrophobicContact CD1-CD2 4.15Å; L142-L348 HydrophobicContact CD2-CB 4.27Å; L142-L348 HydrophobicContact CD2-CD2 3.61Å; Y145-L348 HydrophobicContact CD2-CB 4.42Å; Y145-L348 HydrophobicContact CD2-CD1 4.26Å; Y145-L348 HydrophobicContact CD2-CD2 4.45Å; Y145-L348 HydrophobicContact CE2-CD1 3.93Å; Y145-L348 HydrophobicContact CE2-CD2 4.2Å; G344-L348 VanDerWaalsContact O-CB 3.31Å; G344-L348 WeakPolarHBondContact O-CB 3.35Å; G344-L348 PolarHBondContact O-N 2.87Å; G345-L348 PolarHBondContact O-N 3.04Å; L348-S350 PolarHBondContact O-N 3.1Å; L348-L351 HydrophobicContact CD1-CD1 4.41Å; L348-L351 PolarHBondContact O-N 2.73Å; L348-F354 HydrophobicContact CD1-CD2 3.59Å; L348-F354 HydrophobicContact CD1-CE2 3.98Å; L348-F354 HydrophobicContact CD1-CG 4.19Å; L348-F354 HydrophobicContact CD2-CD2 4.17Å; L348-F354 HydrophobicContact CD2-CE2 3.68Å; L348-F354 HydrophobicContact CD2-CZ 4.06Å; L348-F354 HydrophobicContact CG-CD2 3.64Å; L348-F354 HydrophobicContact CG-CE2 3.65Å; L348-F354 HydrophobicContact CG-CG 4.09Å; L348-F354 HydrophobicContact CG-CZ 4.09Å; L348-F354 WeakPolarHBondContact O-CB 3.47Å; L348-F354 WeakPolarHBondContact O-CG 3.44Å |
| 349 | A | 95.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.1 | -19.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A9 V11 A24 L106 G345 I347 W358 | A9-A349 HydrophobicContact CB-CB 4.17Å; V11-A349 HydrophobicContact CG2-CB 4.25Å; A24-A349 HydrophobicContact CB-CB 3.65Å; L106-A349 HydrophobicContact CD1-CB 4.32Å; G345-A349 VanDerWaalsContact O-CB 3.24Å; G345-A349 WeakPolarHBondContact O-CB 3.46Å; G345-A349 PolarHBondContact O-N 3.06Å; I347-A349 PolarHBondContact O-N 2.92Å; A349-W358 HydrophobicContact CB-CH2 4.35Å; A349-W358 HydrophobicContact CB-CZ2 4.1Å |
| 350 | S | 93.4 | Very high | 94.7 | Very high | 64 Ų | 64 | 41.2 Ų | 41.2 | 45% | 0.448 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -85.7 | -10.4 | 175.2 | 74 | 0 | 0 | 0 | 0 | 114.1 | S346 I347 L348 | S346-S350 VanDerWaalsContact O-CB 3.31Å; S346-S350 WeakPolarHBondContact O-CB 3.1Å; S346-S350 PolarHBondContact O-N 3.09Å; S346-S350 VanDerWaalsContact O-N 3.13Å; S346-S350 PolarHBondContact O-OG 2.92Å; I347-S350 PolarHBondContact O-N 2.92Å; I347-S350 VanDerWaalsContact O-N 3.08Å; I347-S350 PolarHBondContact O-OG 3.29Å; L348-S350 PolarHBondContact O-N 3.1Å |
| 351 | L | 92.1 | Very high | 94.7 | Very high | 76 Ų | 76 | 44 Ų | 44 | 40% | 0.398 | 24% | 0.241 | S | C | . | . | trans | -75.3 | 127.5 | 179.5 | -63.8 | 177 | 0 | 0 | 0 | 110.8 | I347 L348 T353 F354 | I347-L351 WeakPolarHBondContact O-CG 3.43Å; I347-L351 PolarHBondContact O-N 3.36Å; L348-L351 HydrophobicContact CD1-CD1 4.41Å; L348-L351 PolarHBondContact O-N 2.73Å; L351-T353 PolarHBondContact O-N 3.04Å; L351-F354 HydrophobicContact CB-CB 4.1Å; L351-F354 VanDerWaalsContact O-CB 3.29Å; L351-F354 WeakPolarHBondContact O-CB 3.49Å; L351-F354 PolarHBondContact O-N 3.39Å | ||
| 352 | S | 89.4 | Confident | 94.6 | Very high | 99 Ų | 99 | 49.8 Ų | 49.8 | 69% | 0.692 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -58.9 | -33.1 | 175.1 | 57.5 | 0 | 0 | 0 | 0 | 113 | F354 Q355 | S352-F354 PolarHBondContact O-N 3.26Å; S352-Q355 WeakPolarHBondContact O-CB 3.46Å; S352-Q355 WeakPolarHBondContact O-CG 3.21Å; S352-Q355 PolarHBondContact O-N 2.86Å |
| 353 | T | 88.1 | Confident | 94.6 | Very high | 110 Ų | 110 | 52.3 Ų | 52.3 | 68% | 0.675 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -68 | -20.8 | 175.3 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | L351 Q355 | L351-T353 PolarHBondContact O-N 3.04Å; T353-Q355 VanDerWaalsContact C-N 3.33Å |
| 354 | F | 90.5 | Very high | 94.6 | Very high | 9 Ų | 9 | 51.3 Ų | 51.3 | 4% | 0.039 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -79.2 | -16.5 | 177.7 | -174.5 | -105.5 | 0 | 0 | 0 | 112.6 | L106 Y135 L348 L351 S352 Q356 M357 W358 | L106-F354 HydrophobicContact CD1-CE1 4.28Å; L106-F354 HydrophobicContact CD1-CZ 4.1Å; Y135-F354 HydrophobicContact CD1-CE2 4.1Å; Y135-F354 AromaticContact CD1-CZ 3.62Å; Y135-F354 HydrophobicContact CD1-CZ 3.62Å; Y135-F354 HydrophobicContact CD2-CE2 4.28Å; Y135-F354 AromaticContact CD2-CZ 3.91Å; Y135-F354 HydrophobicContact CD2-CZ 3.91Å; Y135-F354 HydrophobicContact CE1-CE2 4.06Å; Y135-F354 HydrophobicContact CE1-CZ 4.06Å; Y135-F354 HydrophobicContact CE2-CE2 4.24Å; Y135-F354 HydrophobicContact CE2-CZ 4.33Å; Y135-F354 HydrophobicContact CG-CE1 4.49Å; Y135-F354 HydrophobicContact CG-CE2 4.21Å; Y135-F354 AromaticContact CG-CZ 3.53Å; Y135-F354 HydrophobicContact CG-CZ 3.53Å; L348-F354 HydrophobicContact CD1-CD2 3.59Å; L348-F354 HydrophobicContact CD1-CE2 3.98Å; L348-F354 HydrophobicContact CD1-CG 4.19Å; L348-F354 HydrophobicContact CD2-CD2 4.17Å; L348-F354 HydrophobicContact CD2-CE2 3.68Å; L348-F354 HydrophobicContact CD2-CZ 4.06Å; L348-F354 HydrophobicContact CG-CD2 3.64Å; L348-F354 HydrophobicContact CG-CE2 3.65Å; L348-F354 HydrophobicContact CG-CG 4.09Å; L348-F354 HydrophobicContact CG-CZ 4.09Å; L348-F354 WeakPolarHBondContact O-CB 3.47Å; L348-F354 WeakPolarHBondContact O-CG 3.44Å; L351-F354 HydrophobicContact CB-CB 4.1Å; L351-F354 VanDerWaalsContact O-CB 3.29Å; L351-F354 WeakPolarHBondContact O-CB 3.49Å; L351-F354 PolarHBondContact O-N 3.39Å; S352-F354 PolarHBondContact O-N 3.26Å; F354-Q356 PolarHBondContact O-N 3.4Å; F354-M357 HydrophobicContact CD2-CB 3.77Å; F354-M357 HydrophobicContact CD2-CG 3.98Å; F354-M357 HydrophobicContact CE2-CB 3.75Å; F354-M357 HydrophobicContact CE2-CG 4.33Å; F354-M357 HydrophobicContact CG-CB 4.4Å; F354-M357 HydrophobicContact CZ-CB 4.38Å; F354-M357 VanDerWaalsContact O-CB 3.3Å; F354-M357 WeakPolarHBondContact O-CB 3.36Å; F354-M357 PolarHBondContact O-N 3.22Å; F354-W358 AromaticContact CD1-CE2 3.89Å; F354-W358 HydrophobicContact CD1-CZ2 4.05Å; F354-W358 AromaticContact CD1-NE1 3.94Å; F354-W358 AromaticContact CE1-CD2 3.97Å; F354-W358 HydrophobicContact CE1-CD2 3.97Å; F354-W358 AromaticContact CE1-CE2 3.61Å; F354-W358 HydrophobicContact CE1-CE3 4.29Å; F354-W358 AromaticContact CE1-CH2 3.99Å; F354-W358 HydrophobicContact CE1-CH2 3.99Å; F354-W358 AromaticContact CE1-CZ2 3.62Å; F354-W358 HydrophobicContact CE1-CZ2 3.62Å; F354-W358 HydrophobicContact CE1-CZ3 4.3Å |
| 355 | Q | 86.8 | Confident | 94.6 | Very high | 78 Ų | 78 | 56.2 Ų | 56.2 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -58.5 | -27.2 | -176.5 | -63.3 | -59.7 | -16.1 | 0 | 0 | 113.7 | S352 T353 M357 W358 | S352-Q355 WeakPolarHBondContact O-CB 3.46Å; S352-Q355 WeakPolarHBondContact O-CG 3.21Å; S352-Q355 PolarHBondContact O-N 2.86Å; T353-Q355 VanDerWaalsContact C-N 3.33Å; Q355-M357 VanDerWaalsContact C-N 3.33Å; Q355-W358 VanDerWaalsContact OE1-CD1 3.31Å; Q355-W358 VanDerWaalsContact OE1-NE1 3.08Å |
| 356 | Q | 89.7 | Confident | 94.6 | Very high | 167 Ų | 167 | 63 Ų | 63 | 78% | 0.78 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -81.5 | -11.5 | 177.4 | -60.3 | -178.3 | 5.7 | 0 | 0 | 113.9 | F354 | F354-Q356 PolarHBondContact O-N 3.4Š|
| 357 | M | 93.7 | Very high | 94.6 | Very high | 72 Ų | 72 | 64.4 Ų | 64.4 | 36% | 0.355 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -21.2 | -177.1 | -62.8 | -59.1 | -63.1 | 0 | 0 | 112.9 | Y135 F354 Q355 | Y135-M357 HydrophobicContact CD2-CB 4.46Å; Y135-M357 WeakPolarHBondContact CD2-O 3.22Å; Y135-M357 HydrophobicContact CE2-CB 4.12Å; Y135-M357 HydrophobicContact CE2-CE 4.47Å; F354-M357 HydrophobicContact CD2-CB 3.77Å; F354-M357 HydrophobicContact CD2-CG 3.98Å; F354-M357 HydrophobicContact CE2-CB 3.75Å; F354-M357 HydrophobicContact CE2-CG 4.33Å; F354-M357 HydrophobicContact CG-CB 4.4Å; F354-M357 HydrophobicContact CZ-CB 4.38Å; F354-M357 VanDerWaalsContact O-CB 3.3Å; F354-M357 WeakPolarHBondContact O-CB 3.36Å; F354-M357 PolarHBondContact O-N 3.22Å; Q355-M357 VanDerWaalsContact C-N 3.33Å |
| 358 | W | 96.5 | Very high | 94.7 | Very high | 16 Ų | 16 | 62.1 Ų | 62.1 | 6% | 0.061 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -52.7 | 142.1 | 174.1 | -69.7 | 120 | 0 | 0 | 0 | 111.3 | A9 P104 L106 A133 A349 F354 Q355 | A9-W358 HydrophobicContact CB-CH2 3.92Å; A9-W358 HydrophobicContact CB-CZ2 3.66Å; P104-W358 HydrophobicContact CB-CD2 4.41Å; P104-W358 HydrophobicContact CB-CE3 4.46Å; P104-W358 HydrophobicContact CB-CH2 4.14Å; P104-W358 HydrophobicContact CB-CZ2 4.07Å; P104-W358 HydrophobicContact CB-CZ3 4.35Å; L106-W358 HydrophobicContact CB-CH2 3.85Å; L106-W358 HydrophobicContact CB-CZ3 4.15Å; A133-W358 HydrophobicContact CB-CB 4.09Å; A133-W358 HydrophobicContact CB-CG 4.38Å; A349-W358 HydrophobicContact CB-CH2 4.35Å; A349-W358 HydrophobicContact CB-CZ2 4.1Å; F354-W358 AromaticContact CD1-CE2 3.89Å; F354-W358 HydrophobicContact CD1-CZ2 4.05Å; F354-W358 AromaticContact CD1-NE1 3.94Å; F354-W358 AromaticContact CE1-CD2 3.97Å; F354-W358 HydrophobicContact CE1-CD2 3.97Å; F354-W358 AromaticContact CE1-CE2 3.61Å; F354-W358 HydrophobicContact CE1-CE3 4.29Å; F354-W358 AromaticContact CE1-CH2 3.99Å; F354-W358 HydrophobicContact CE1-CH2 3.99Å; F354-W358 AromaticContact CE1-CZ2 3.62Å; F354-W358 HydrophobicContact CE1-CZ2 3.62Å; F354-W358 HydrophobicContact CE1-CZ3 4.3Å; Q355-W358 VanDerWaalsContact OE1-CD1 3.31Å; Q355-W358 VanDerWaalsContact OE1-NE1 3.08Å |
| 359 | I | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 116.8 | 163.2 | -58.7 | 163.4 | 0 | 0 | 0 | 105.2 | F126 A133 M134 E363 I371 V372 K375 | F126-I359 HydrophobicContact CE2-CB 4.49Å; F126-I359 HydrophobicContact CE2-CG2 3.84Å; F126-I359 HydrophobicContact CZ-CB 4.36Å; F126-I359 HydrophobicContact CZ-CG2 3.9Å; F126-I359 WeakPolarHBondContact CZ-O 3.36Å; A133-I359 CarbonylContact C-O 3.56Å; A133-I359 WeakPolarHBondContact CA-O 3.29Å; A133-I359 WeakPolarHBondContact CB-O 3.48Å; M134-I359 PolarHBondContact N-O 3.32Å; M134-I359 WeakPolarHBondContact O-CB 3.17Å; M134-I359 PolarHBondContact O-N 3.06Å; I359-E363 WeakPolarHBondContact CA-OE2 3.43Å; I359-E363 HydrophobicContact CG2-CB 4.42Å; I359-I371 HydrophobicContact CD1-CG2 4.34Å; I359-I371 HydrophobicContact CG2-CB 4.5Å; I359-I371 HydrophobicContact CG2-CG1 4Å; I359-I371 HydrophobicContact CG2-CG2 3.62Å; I359-V372 HydrophobicContact CD1-CB 4.25Å; I359-V372 HydrophobicContact CD1-CG2 4.33Å; I359-K375 HydrophobicContact CD1-CB 4.17Å; I359-K375 HydrophobicContact CG1-CB 3.73Å; I359-K375 HydrophobicContact CG1-CG 4.05Å |
| 360 | S | 97.5 | Very high | 94.9 | Very high | 39 Ų | 39 | 64.8 Ų | 64.8 | 27% | 0.273 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 159.1 | 175.4 | 68.8 | 0 | 0 | 0 | 0 | 111.7 | Q362 E363 Y364 | S360-Q362 PolarHBondContact O-N 2.73Å; S360-E363 PolarHBondContact N-OE2 2.92Å; S360-E363 PolarHBondContact O-N 3.27Å; S360-E363 VanDerWaalsContact O-N 3.13Å; S360-E363 WeakPolarHBondContact OG-CG 3.26Å; S360-E363 PolarHBondContact OG-N 3.33Å; S360-E363 PolarHBondContact OG-OE2 3.21Å; S360-Y364 PolarHBondContact O-N 2.8Å |
| 361 | K | 97.5 | Very high | 95.1 | Very high | 60 Ų | 60 | 62.3 Ų | 62.3 | 26% | 0.261 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -53.8 | -38.6 | 172.1 | -178.8 | 65.2 | -177.5 | 176.9 | 0 | 112.3 | F126 P132 Y364 D365 | F126-K361 HydrophobicContact CB-CD 4.31Å; F126-K361 HydrophobicContact CD1-CB 4.25Å; F126-K361 HydrophobicContact CD1-CD 3.55Å; F126-K361 HydrophobicContact CE1-CB 4.05Å; F126-K361 HydrophobicContact CE1-CD 4.21Å; F126-K361 HydrophobicContact CG-CD 4.25Å; F126-K361 PolarHBondContact O-NZ 3.31Å; P132-K361 PolarHBondContact O-N 3.47Å; K361-Y364 WeakPolarHBondContact O-CB 3.18Å; K361-Y364 PolarHBondContact O-N 3.26Å; K361-D365 VanDerWaalsContact CE-OD1 3.28Å; K361-D365 WeakPolarHBondContact CE-OD1 3.45Å; K361-D365 IonicContact NZ-OD1 3.49Å; K361-D365 PolarHBondContact NZ-OD1 2.71Å; K361-D365 VanDerWaalsContact O-CG 3.22Å; K361-D365 PolarHBondContact O-N 2.82Å |
| 362 | Q | 97.5 | Very high | 95.4 | Very high | 128 Ų | 128 | 58.7 Ų | 58.7 | 60% | 0.598 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62.6 | -47.9 | 176.2 | -176.5 | -175.2 | -9.7 | 0 | 0 | 112 | S360 Y364 D365 E366 | S360-Q362 PolarHBondContact O-N 2.73Å; Q362-Y364 PolarHBondContact O-N 2.86Å; Q362-D365 PolarHBondContact O-N 3.36Å; Q362-E366 PolarHBondContact NE2-OE1 2.91Å; Q362-E366 WeakPolarHBondContact O-CG 3.14Å; Q362-E366 PolarHBondContact O-N 3.44Å; Q362-E366 VanDerWaalsContact O-N 3.07Å |
| 363 | E | 97.8 | Very high | 95.7 | Very high | 53 Ų | 53 | 55.8 Ų | 55.8 | 25% | 0.248 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.3 | -35.7 | 178 | -71.3 | 174.1 | 128.4 | 0 | 0 | 111.7 | I359 S360 A367 I371 K375 | I359-E363 WeakPolarHBondContact CA-OE2 3.43Å; I359-E363 HydrophobicContact CG2-CB 4.42Å; S360-E363 PolarHBondContact N-OE2 2.92Å; S360-E363 PolarHBondContact O-N 3.27Å; S360-E363 VanDerWaalsContact O-N 3.13Å; S360-E363 WeakPolarHBondContact OG-CG 3.26Å; S360-E363 PolarHBondContact OG-N 3.33Å; S360-E363 PolarHBondContact OG-OE2 3.21Å; E363-A367 WeakPolarHBondContact O-CB 3.4Å; E363-A367 PolarHBondContact O-N 3.4Å; E363-I371 HydrophobicContact CB-CG1 4.4Å; E363-K375 WeakPolarHBondContact OE1-CE 3.44Å; E363-K375 IonicContact OE1-NZ 3.87Å; E363-K375 PolarHBondContact OE1-NZ 2.82Å; E363-K375 IonicContact OE2-NZ 3.26Å |
| 364 | Y | 98.3 | Very high | 96 | Very high | 9 Ų | 9 | 58.6 Ų | 58.6 | 4% | 0.035 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.2 | -48.3 | 172.7 | 174.5 | -97.3 | 0 | 0 | 0 | 112.3 | T122 F126 E127 S360 K361 Q362 E366 A367 G368 P369 | T122-Y364 HydrophobicContact CG2-CD2 3.74Å; T122-Y364 HydrophobicContact CG2-CE2 3.91Å; F126-Y364 HydrophobicContact CB-CD1 3.65Å; F126-Y364 HydrophobicContact CB-CD2 4.27Å; F126-Y364 HydrophobicContact CB-CE1 3.73Å; F126-Y364 HydrophobicContact CB-CE2 4.31Å; F126-Y364 HydrophobicContact CB-CG 3.93Å; F126-Y364 HydrophobicContact CD1-CG 4.46Å; F126-Y364 AromaticContact CD2-CD1 3.98Å; F126-Y364 HydrophobicContact CD2-CD1 3.98Å; F126-Y364 AromaticContact CD2-CD2 3.33Å; F126-Y364 HydrophobicContact CD2-CD2 3.33Å; F126-Y364 AromaticContact CD2-CE2 3.96Å; F126-Y364 HydrophobicContact CD2-CE2 3.96Å; F126-Y364 AromaticContact CD2-CG 3.32Å; F126-Y364 HydrophobicContact CD2-CG 3.32Å; F126-Y364 AromaticContact CE2-CD2 3.88Å; F126-Y364 HydrophobicContact CE2-CD2 3.88Å; F126-Y364 AromaticContact CE2-CG 3.83Å; F126-Y364 HydrophobicContact CE2-CG 3.83Å; F126-Y364 AromaticContact CG-CD1 3.86Å; F126-Y364 HydrophobicContact CG-CD1 3.86Å; F126-Y364 HydrophobicContact CG-CD2 4.06Å; F126-Y364 HydrophobicContact CG-CE1 4.4Å; F126-Y364 AromaticContact CG-CG 3.67Å; F126-Y364 HydrophobicContact CG-CG 3.67Å; E127-Y364 VanDerWaalsContact CD-OH 3.29Å; E127-Y364 HydrophobicContact CG-CE1 4.1Å; E127-Y364 WeakPolarHBondContact CG-OH 3.4Å; E127-Y364 PolarHBondContact OE1-OH 2.78Å; S360-Y364 PolarHBondContact O-N 2.8Å; K361-Y364 WeakPolarHBondContact O-CB 3.18Å; K361-Y364 PolarHBondContact O-N 3.26Å; Q362-Y364 PolarHBondContact O-N 2.86Å; Y364-E366 PolarHBondContact O-N 3.04Å; Y364-A367 PolarHBondContact O-N 3.13Å; Y364-G368 WeakPolarHBondContact O-CA 3.46Å; Y364-G368 PolarHBondContact O-N 3.17Å; Y364-P369 HydrophobicContact CE2-CB 4.38Å; Y364-P369 HydrophobicContact CE2-CG 3.92Å |
| 365 | D | 98.1 | Very high | 96.1 | Very high | 104 Ų | 104 | 60.3 Ų | 60.3 | 56% | 0.556 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.7 | -29.2 | -178.5 | -67.1 | -22.2 | 0 | 0 | 0 | 111.7 | K361 Q362 | K361-D365 VanDerWaalsContact CE-OD1 3.28Å; K361-D365 WeakPolarHBondContact CE-OD1 3.45Å; K361-D365 IonicContact NZ-OD1 3.49Å; K361-D365 PolarHBondContact NZ-OD1 2.71Å; K361-D365 VanDerWaalsContact O-CG 3.22Å; K361-D365 PolarHBondContact O-N 2.82Å; Q362-D365 PolarHBondContact O-N 3.36Å |
| 366 | E | 97.7 | Very high | 96.4 | Very high | 143 Ų | 143 | 56.6 Ų | 56.6 | 67% | 0.668 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -80.1 | -40.8 | 177.1 | -70.9 | 176.5 | -165.4 | 0 | 0 | 114 | Q362 Y364 | Q362-E366 PolarHBondContact NE2-OE1 2.91Å; Q362-E366 WeakPolarHBondContact O-CG 3.14Å; Q362-E366 PolarHBondContact O-N 3.44Å; Q362-E366 VanDerWaalsContact O-N 3.07Å; Y364-E366 PolarHBondContact O-N 3.04Å |
| 367 | A | 97.3 | Very high | 96.1 | Very high | 32 Ų | 32 | 56.2 Ų | 56.2 | 26% | 0.264 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -110.3 | -9.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | E363 Y364 S370 I371 | E363-A367 WeakPolarHBondContact O-CB 3.4Å; E363-A367 PolarHBondContact O-N 3.4Å; Y364-A367 PolarHBondContact O-N 3.13Å; A367-S370 PolarHBondContact O-OG 3.16Å; A367-I371 HydrophobicContact CB-CB 4Å; A367-I371 HydrophobicContact CB-CD1 4.03Å; A367-I371 HydrophobicContact CB-CG1 4.35Å |
| 368 | G | 97.7 | Very high | 96.2 | Very high | 21 Ų | 21 | 55.5 Ų | 55.5 | 22% | 0.216 | 28% | 0.275 | C | S | . | . | trans | 64.6 | -168 | -173 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y364 S370 I371 | Y364-G368 WeakPolarHBondContact O-CA 3.46Å; Y364-G368 PolarHBondContact O-N 3.17Å; G368-S370 PolarHBondContact O-N 3.02Å; G368-I371 WeakPolarHBondContact O-CB 3.34Å; G368-I371 WeakPolarHBondContact O-CG2 3.4Å; G368-I371 PolarHBondContact O-N 3.01Å; G368-I371 VanDerWaalsContact O-N 3.16Å | ||
| 369 | P | 97.4 | Very high | 96.2 | Very high | 34 Ų | 34 | 57.5 Ų | 57.5 | 22% | 0.221 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -55.3 | -27.5 | -176.4 | -28.4 | 34.9 | 0 | 0 | 0 | 115.4 | E119 Q123 Y364 I371 V372 | E119-P369 HydrophobicContact CB-CB 3.74Å; E119-P369 HydrophobicContact CG-CB 4.08Å; Q123-P369 HydrophobicContact CB-CG 4.13Å; Q123-P369 HydrophobicContact CG-CG 4.48Å; Y364-P369 HydrophobicContact CE2-CB 4.38Å; Y364-P369 HydrophobicContact CE2-CG 3.92Å; P369-I371 PolarHBondContact O-N 3.35Å; P369-I371 VanDerWaalsContact O-N 3.11Å; P369-V372 WeakPolarHBondContact O-CG1 3.48Å; P369-V372 PolarHBondContact O-N 3.33Å |
| 370 | S | 97.5 | Very high | 96.1 | Very high | 46 Ų | 46 | 60.7 Ų | 60.7 | 32% | 0.322 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -64.3 | -14.7 | -178.2 | 75.7 | 0 | 0 | 0 | 0 | 114.3 | A367 G368 V372 H373 | A367-S370 PolarHBondContact O-OG 3.16Å; G368-S370 PolarHBondContact O-N 3.02Å; S370-V372 PolarHBondContact O-N 3.2Å; S370-V372 VanDerWaalsContact O-N 3.17Å; S370-H373 PolarHBondContact O-CD2 3.07Å; S370-H373 PolarHBondContact O-N 3.13Å; S370-H373 VanDerWaalsContact O-N 3.14Å |
| 371 | I | 97.8 | Very high | 96 | Very high | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.062 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -55.7 | -30.4 | 177 | -170 | 57 | 0 | 0 | 0 | 112.7 | T122 I359 E363 A367 G368 P369 H373 R374 K375 | T122-I371 HydrophobicContact CG2-CG2 4.34Å; I359-I371 HydrophobicContact CD1-CG2 4.34Å; I359-I371 HydrophobicContact CG2-CB 4.5Å; I359-I371 HydrophobicContact CG2-CG1 4Å; I359-I371 HydrophobicContact CG2-CG2 3.62Å; E363-I371 HydrophobicContact CB-CG1 4.4Å; A367-I371 HydrophobicContact CB-CB 4Å; A367-I371 HydrophobicContact CB-CD1 4.03Å; A367-I371 HydrophobicContact CB-CG1 4.35Å; G368-I371 WeakPolarHBondContact O-CB 3.34Å; G368-I371 WeakPolarHBondContact O-CG2 3.4Å; G368-I371 PolarHBondContact O-N 3.01Å; G368-I371 VanDerWaalsContact O-N 3.16Å; P369-I371 PolarHBondContact O-N 3.35Å; P369-I371 VanDerWaalsContact O-N 3.11Å; I371-H373 PolarHBondContact O-N 3.25Å; I371-R374 HydrophobicContact CD1-CB 4.43Å; I371-R374 PolarHBondContact O-N 2.9Å; I371-K375 HydrophobicContact CD1-CG 4.44Å; I371-K375 PolarHBondContact O-N 2.79Å |
| 372 | V | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.7 | -34.2 | 178.9 | 71.5 | 0 | 0 | 0 | 0 | 112.6 | R118 E119 T122 V136 I359 P369 S370 R374 K375 C376 | R118-V372 HydrophobicContact CB-CG1 3.72Å; R118-V372 HydrophobicContact CB-CG2 4.2Å; E119-V372 HydrophobicContact CG-CG1 4.36Å; T122-V372 WeakPolarHBondContact OG1-CB 3.4Å; V136-V372 HydrophobicContact CB-CG2 4.36Å; V136-V372 HydrophobicContact CG2-CG2 4.06Å; I359-V372 HydrophobicContact CD1-CB 4.25Å; I359-V372 HydrophobicContact CD1-CG2 4.33Å; P369-V372 WeakPolarHBondContact O-CG1 3.48Å; P369-V372 PolarHBondContact O-N 3.33Å; S370-V372 PolarHBondContact O-N 3.2Å; S370-V372 VanDerWaalsContact O-N 3.17Å; V372-R374 PolarHBondContact O-N 3.07Å; V372-K375 PolarHBondContact O-N 3.02Å; V372-C376 HydrophobicContact CG2-CB 4.01Å; V372-C376 WeakPolarHBondContact O-CB 3.38Å; V372-C376 PolarHBondContact O-N 3.02Å |
| 373 | H | 96.2 | Very high | 95.8 | Very high | 39 Ų | 39 | 57.7 Ų | 57.7 | 18% | 0.181 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -74.3 | -13.3 | 179.4 | -53 | -52.2 | 0 | 0 | 0 | 113.8 | K115 E119 S370 I371 | K115-H373 VanDerWaalsContact CB-CE1 3.46Å; K115-H373 WeakPolarHBondContact CB-CE1 3.39Å; K115-H373 PolarHBondContact O-CE1 3.49Å; E119-H373 WeakPolarHBondContact CG-NE2 3.42Å; E119-H373 IonicContact OE1-CD2 3.21Å; E119-H373 PolarHBondContact OE1-CD2 2.96Å; E119-H373 IonicContact OE1-CE1 3.22Å; E119-H373 IonicContact OE1-NE2 2.75Å; E119-H373 PolarHBondContact OE1-NE2 3.21Å; S370-H373 PolarHBondContact O-CD2 3.07Å; S370-H373 PolarHBondContact O-N 3.13Å; S370-H373 VanDerWaalsContact O-N 3.14Å; I371-H373 PolarHBondContact O-N 3.25Å |
| 374 | R | 94 | Very high | 95.7 | Very high | 168 Ų | 168 | 58.1 Ų | 58.1 | 63% | 0.634 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -98.5 | -19.2 | 179.4 | -59.1 | -176.8 | -174.3 | 169.6 | 3.9 | 113.1 | I371 V372 F377 | I371-R374 HydrophobicContact CD1-CB 4.43Å; I371-R374 PolarHBondContact O-N 2.9Å; V372-R374 PolarHBondContact O-N 3.07Å; R374-F377 WeakPolarHBondContact O-CE2 3.18Å; R374-F377 WeakPolarHBondContact O-CZ 3.23Å |
| 375 | K | 93.8 | Very high | 95.5 | Very high | 46 Ų | 46 | 61.8 Ų | 61.8 | 20% | 0.2 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -117 | -31.6 | -173 | -74.1 | -83.2 | -167.6 | 142.1 | 0 | 113.2 | Y135 I359 E363 I371 V372 | Y135-K375 WeakPolarHBondContact CE2-O 3.28Å; Y135-K375 PolarHBondContact OH-O 2.69Å; I359-K375 HydrophobicContact CD1-CB 4.17Å; I359-K375 HydrophobicContact CG1-CB 3.73Å; I359-K375 HydrophobicContact CG1-CG 4.05Å; E363-K375 WeakPolarHBondContact OE1-CE 3.44Å; E363-K375 IonicContact OE1-NZ 3.87Å; E363-K375 PolarHBondContact OE1-NZ 2.82Å; E363-K375 IonicContact OE2-NZ 3.26Å; I371-K375 HydrophobicContact CD1-CG 4.44Å; I371-K375 PolarHBondContact O-N 2.79Å; V372-K375 PolarHBondContact O-N 3.02Å |
| 376 | C | 93.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -106.6 | 103.6 | -178 | -57.9 | 0 | 0 | 0 | 0 | 109.6 | R118 Y135 V136 V372 | R118-C376 VanDerWaalsContact CZ-O 3.3Å; R118-C376 PolarHBondContact NH1-O 2.96Å; R118-C376 PolarHBondContact NH2-O 2.89Å; Y135-C376 VanDerWaalsContact CD2-SG 3.51Å; Y135-C376 HydrophobicContact CE2-CB 4.34Å; Y135-C376 VanDerWaalsContact CE2-SG 3.54Å; V136-C376 HydrophobicContact CB-CB 4.39Å; V136-C376 PolarHBondContact N-SG 3.46Å; V136-C376 VanDerWaalsContact N-SG 3.36Å; V136-C376 VanDerWaalsContact O-CB 3.31Å; V136-C376 WeakPolarHBondContact O-CB 3.25Å; V372-C376 HydrophobicContact CG2-CB 4.01Å; V372-C376 WeakPolarHBondContact O-CB 3.38Å; V372-C376 PolarHBondContact O-N 3.02Å | ||
| 377 | F | 83 | Confident | 95 | Very high | 159 Ų | 159 | 50.6 Ų | 50.6 | 70% | 0.697 | 25% | 0.254 | S | S | * | . | trans | -105.3 | 0 | -176.1 | -63.5 | -73 | 0 | 0 | 0 | 112.9 | R374 | R374-F377 WeakPolarHBondContact O-CE2 3.18Å; R374-F377 WeakPolarHBondContact O-CZ 3.23Å |
Retrieved 377 of 377 residues in 1325.9 ms
(Link to these results)