| 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 | 83 | Confident | 89.6 | Confident | 93 Ų | 93 | 57.9 Ų | 57.9 | 46% | 0.458 | 33% | 0.326 | S | S | . | . | 0 | -50.2 | 0 | -164.8 | 174.9 | -78.9 | 0 | 0 | 111 | A3 M4 S5 T178 L179 V231 | M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.32Å; M1-M4 WeakPolarHBondContact O-CA 3.24Å; M1-M4 WeakPolarHBondContact O-CB 3.49Å; M1-M4 PolarHBondContact O-N 3.47Å; M1-S5 PolarHBondContact O-N 3.3Å; M1-S5 PolarHBondContact O-OG 3.17Å; M1-T178 HydrophobicContact CE-CG2 3.9Å; M1-L179 HydrophobicContact CE-CD2 3.54Å; M1-L179 HydrophobicContact CE-CG 4.12Å; M1-V231 HydrophobicContact CE-CG2 4.46Å; M1-V231 HydrophobicContact SD-CG2 4.34Å | |||
| 2 | I | 85.8 | Confident | 89.7 | Confident | 139 Ų | 139 | 56.5 Ų | 56.5 | 71% | 0.713 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -50.4 | -47.9 | 178.4 | -60.4 | 171.6 | 0 | 0 | 0 | 112.8 | M4 S5 V6 | I2-M4 VanDerWaalsContact C-N 3.28Å; I2-M4 PolarHBondContact O-N 3.16Å; I2-S5 WeakPolarHBondContact CA-OG 3.4Å; I2-S5 PolarHBondContact O-N 3.36Å; I2-S5 PolarHBondContact O-OG 3.16Å; I2-V6 HydrophobicContact CG2-CG2 4.33Å; I2-V6 WeakPolarHBondContact O-CG2 3.38Å; I2-V6 PolarHBondContact O-N 2.99Å |
| 3 | A | 86.9 | Confident | 89.8 | Confident | 34 Ų | 34 | 59.5 Ų | 59.5 | 28% | 0.281 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.5 | -37.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1 N7 T84 | M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.32Å; A3-N7 WeakPolarHBondContact O-CB 3.44Å; A3-N7 PolarHBondContact O-N 3.21Å; A3-T84 HydrophobicContact CB-CG2 3.75Å |
| 4 | M | 89.3 | Confident | 89.7 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.03 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.5 | -42.6 | 176.9 | -176.3 | 172.2 | -82 | 0 | 0 | 111.3 | M1 I2 V6 N7 D8 A54 L57 V182 V186 | M1-M4 WeakPolarHBondContact O-CA 3.24Å; M1-M4 WeakPolarHBondContact O-CB 3.49Å; M1-M4 PolarHBondContact O-N 3.47Å; I2-M4 VanDerWaalsContact C-N 3.28Å; I2-M4 PolarHBondContact O-N 3.16Å; M4-V6 VanDerWaalsContact C-N 3.34Å; M4-V6 PolarHBondContact O-N 3.22Å; M4-N7 CarbonylContact O-C 3.45Å; M4-N7 WeakPolarHBondContact O-CA 3.4Å; M4-N7 WeakPolarHBondContact O-CB 3.33Å; M4-N7 PolarHBondContact O-N 3.11Å; M4-N7 VanDerWaalsContact O-N 3.14Å; M4-D8 PolarHBondContact O-N 3.38Å; M4-A54 HydrophobicContact CE-CB 4.08Å; M4-L57 HydrophobicContact CE-CD1 3.47Å; M4-L57 VanDerWaalsContact CE-CD1 3.47Å; M4-L57 HydrophobicContact SD-CD1 3.77Å; M4-V182 HydrophobicContact CE-CG1 4.49Å; M4-V182 HydrophobicContact SD-CG1 3.43Å; M4-V182 WeakPolarHBondContact SD-CG1 3.21Å; M4-V186 HydrophobicContact CE-CG2 4.24Å; M4-V186 HydrophobicContact SD-CG2 4.36Å |
| 5 | S | 89.5 | Confident | 89.6 | Confident | 62 Ų | 62 | 53.9 Ų | 53.9 | 43% | 0.434 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.8 | -36.1 | 176.5 | 54.6 | 0 | 0 | 0 | 0 | 112.8 | M1 I2 N7 D8 L9 | M1-S5 PolarHBondContact O-N 3.3Å; M1-S5 PolarHBondContact O-OG 3.17Å; I2-S5 WeakPolarHBondContact CA-OG 3.4Å; I2-S5 PolarHBondContact O-N 3.36Å; I2-S5 PolarHBondContact O-OG 3.16Å; S5-N7 VanDerWaalsContact C-N 3.31Å; S5-D8 PolarHBondContact O-N 3.07Å; S5-L9 WeakPolarHBondContact O-CB 3.11Å; S5-L9 PolarHBondContact O-N 2.92Å |
| 6 | V | 90.5 | Very high | 89.5 | Confident | 89 Ų | 89 | 58.8 Ų | 58.8 | 54% | 0.539 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 172.3 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | I2 M4 L9 L10 | I2-V6 HydrophobicContact CG2-CG2 4.33Å; I2-V6 WeakPolarHBondContact O-CG2 3.38Å; I2-V6 PolarHBondContact O-N 2.99Å; M4-V6 VanDerWaalsContact C-N 3.34Å; M4-V6 PolarHBondContact O-N 3.22Å; V6-L9 PolarHBondContact O-N 3.36Å; V6-L10 WeakPolarHBondContact O-CB 3.31Å; V6-L10 PolarHBondContact O-N 3.06Å |
| 7 | N | 92.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 174.3 | -172.3 | 77.2 | 0 | 0 | 0 | 112.5 | A3 M4 S5 L9 L10 T11 C46 N49 A50 | A3-N7 WeakPolarHBondContact O-CB 3.44Å; A3-N7 PolarHBondContact O-N 3.21Å; M4-N7 CarbonylContact O-C 3.45Å; M4-N7 WeakPolarHBondContact O-CA 3.4Å; M4-N7 WeakPolarHBondContact O-CB 3.33Å; M4-N7 PolarHBondContact O-N 3.11Å; M4-N7 VanDerWaalsContact O-N 3.14Å; S5-N7 VanDerWaalsContact C-N 3.31Å; N7-L9 VanDerWaalsContact C-N 3.34Å; N7-L10 PolarHBondContact O-N 3.14Å; N7-T11 WeakPolarHBondContact O-CB 3.48Å; N7-T11 PolarHBondContact O-N 3.27Å; N7-T11 PolarHBondContact O-OG1 3.43Å; N7-C46 PolarHBondContact ND2-O 2.97Å; N7-C46 PolarHBondContact OD1-O 3.48Å; N7-N49 WeakPolarHBondContact OD1-CB 3.44Å; N7-N49 PolarHBondContact OD1-ND2 3.47Å; N7-A50 PolarHBondContact ND2-N 3.26Å |
| 8 | D | 91.8 | Very high | 89.1 | Confident | 23 Ų | 23 | 59.8 Ų | 59.8 | 12% | 0.123 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 178.9 | -66.4 | -21.6 | 0 | 0 | 0 | 110.5 | M4 S5 T11 G12 A224 N227 | M4-D8 PolarHBondContact O-N 3.38Å; S5-D8 PolarHBondContact O-N 3.07Å; D8-T11 WeakPolarHBondContact O-CB 3.47Å; D8-T11 PolarHBondContact O-N 2.94Å; D8-G12 PolarHBondContact O-N 3.08Å; D8-A224 HydrophobicContact CB-CB 3.95Å; D8-N227 PolarHBondContact OD1-ND2 3Å; D8-N227 VanDerWaalsContact OD2-CB 3.27Å; D8-N227 WeakPolarHBondContact OD2-CB 3.25Å; D8-N227 PolarHBondContact OD2-ND2 3.02Å |
| 9 | L | 91.8 | Very high | 88.7 | Confident | 120 Ų | 120 | 63 Ų | 63 | 63% | 0.628 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.2 | -48.5 | 172.4 | -179.9 | 64.4 | 0 | 0 | 0 | 111.7 | S5 V6 N7 T11 G12 M13 | S5-L9 WeakPolarHBondContact O-CB 3.11Å; S5-L9 PolarHBondContact O-N 2.92Å; V6-L9 PolarHBondContact O-N 3.36Å; N7-L9 VanDerWaalsContact C-N 3.34Å; L9-T11 VanDerWaalsContact C-N 3.27Å; L9-T11 PolarHBondContact O-N 2.93Å; L9-G12 PolarHBondContact O-N 2.99Å; L9-M13 HydrophobicContact CD1-CG 4.4Å; L9-M13 WeakPolarHBondContact O-CG 3.29Å; L9-M13 PolarHBondContact O-N 2.97Å |
| 10 | L | 92.2 | Very high | 88.4 | Confident | 65 Ų | 65 | 64 Ų | 64 | 34% | 0.34 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.2 | -38.6 | 177.8 | -176.2 | 67.2 | 0 | 0 | 0 | 111.6 | V6 N7 M13 S14 F45 | V6-L10 WeakPolarHBondContact O-CB 3.31Å; V6-L10 PolarHBondContact O-N 3.06Å; N7-L10 PolarHBondContact O-N 3.14Å; L10-M13 PolarHBondContact O-N 3.26Å; L10-S14 VanDerWaalsContact O-CB 3.3Å; L10-S14 WeakPolarHBondContact O-CB 3.31Å; L10-S14 PolarHBondContact O-N 3.27Å; L10-S14 PolarHBondContact O-OG 2.93Å; L10-F45 HydrophobicContact CD2-CD1 3.74Å; L10-F45 HydrophobicContact CD2-CE1 3.56Å |
| 11 | T | 92.1 | Very high | 88 | Confident | 5 Ų | 5 | 66.5 Ų | 66.5 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.1 | -54.1 | 174.9 | -55.4 | 0 | 0 | 0 | 0 | 109.4 | N7 D8 L9 M13 S14 Y15 C46 T220 A224 | N7-T11 WeakPolarHBondContact O-CB 3.48Å; N7-T11 PolarHBondContact O-N 3.27Å; N7-T11 PolarHBondContact O-OG1 3.43Å; D8-T11 WeakPolarHBondContact O-CB 3.47Å; D8-T11 PolarHBondContact O-N 2.94Å; L9-T11 VanDerWaalsContact C-N 3.27Å; L9-T11 PolarHBondContact O-N 2.93Å; T11-M13 PolarHBondContact O-N 2.93Å; T11-S14 PolarHBondContact O-N 3.08Å; T11-S14 VanDerWaalsContact O-N 3.16Å; T11-S14 PolarHBondContact O-OG 2.89Å; T11-Y15 HydrophobicContact CG2-CD2 3.86Å; T11-Y15 HydrophobicContact CG2-CE2 3.82Å; T11-Y15 WeakPolarHBondContact O-CD2 3.24Å; T11-Y15 PolarHBondContact O-N 3.24Å; T11-C46 HydrophobicContact CG2-CB 4.38Å; T11-C46 WeakPolarHBondContact OG1-CB 3.41Å; T11-T220 HydrophobicContact CG2-CG2 4.18Å; T11-A224 HydrophobicContact CG2-CB 4.26Å |
| 12 | G | 90.5 | Very high | 87.6 | Confident | 41 Ų | 41 | 64.6 Ų | 64.6 | 42% | 0.423 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -55.3 | -47.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | D8 L9 S14 Y15 F16 | D8-G12 PolarHBondContact O-N 3.08Å; L9-G12 PolarHBondContact O-N 2.99Å; G12-S14 PolarHBondContact O-N 3.27Å; G12-Y15 PolarHBondContact O-N 2.79Å; G12-F16 WeakPolarHBondContact O-CB 3.49Å; G12-F16 PolarHBondContact O-N 3.38Å |
| 13 | M | 90.8 | Very high | 87.3 | Confident | 96 Ų | 96 | 63.7 Ų | 63.7 | 47% | 0.473 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 177.3 | -69.6 | -59.9 | -64.7 | 0 | 0 | 112.3 | L9 L10 T11 F16 I17 | L9-M13 HydrophobicContact CD1-CG 4.4Å; L9-M13 WeakPolarHBondContact O-CG 3.29Å; L9-M13 PolarHBondContact O-N 2.97Å; L10-M13 PolarHBondContact O-N 3.26Å; T11-M13 PolarHBondContact O-N 2.93Å; M13-F16 PolarHBondContact O-N 3.43Å; M13-I17 WeakPolarHBondContact O-CB 3.47Å; M13-I17 WeakPolarHBondContact O-CD1 3.49Å; M13-I17 VanDerWaalsContact O-CG1 3.22Å; M13-I17 WeakPolarHBondContact O-CG1 3.38Å; M13-I17 PolarHBondContact O-N 3.26Å |
| 14 | S | 89.6 | Confident | 86.9 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.9 | -44.1 | -179.9 | 66.7 | 0 | 0 | 0 | 0 | 112.2 | L10 T11 G12 L18 | L10-S14 VanDerWaalsContact O-CB 3.3Å; L10-S14 WeakPolarHBondContact O-CB 3.31Å; L10-S14 PolarHBondContact O-N 3.27Å; L10-S14 PolarHBondContact O-OG 2.93Å; T11-S14 PolarHBondContact O-N 3.08Å; T11-S14 VanDerWaalsContact O-N 3.16Å; T11-S14 PolarHBondContact O-OG 2.89Å; G12-S14 PolarHBondContact O-N 3.27Å; S14-L18 WeakPolarHBondContact O-CB 3.33Å; S14-L18 VanDerWaalsContact O-CG 3.22Å; S14-L18 WeakPolarHBondContact O-CG 3.5Å; S14-L18 PolarHBondContact O-N 3.48Å; S14-L18 VanDerWaalsContact O-N 3.09Å |
| 15 | Y | 88.1 | Confident | 86 | Confident | 32 Ų | 32 | 72 Ų | 72 | 13% | 0.125 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.5 | -43.5 | 175.6 | -84.8 | -83.1 | 0 | 0 | 0 | 111.7 | T11 G12 I17 L18 E19 L43 H217 T220 T221 | T11-Y15 HydrophobicContact CG2-CD2 3.86Å; T11-Y15 HydrophobicContact CG2-CE2 3.82Å; T11-Y15 WeakPolarHBondContact O-CD2 3.24Å; T11-Y15 PolarHBondContact O-N 3.24Å; G12-Y15 PolarHBondContact O-N 2.79Å; Y15-I17 PolarHBondContact O-N 3.32Å; Y15-L18 PolarHBondContact O-N 3.01Å; Y15-E19 WeakPolarHBondContact O-CB 3.42Å; Y15-E19 PolarHBondContact O-N 2.96Å; Y15-L43 HydrophobicContact CD2-CD2 3.97Å; Y15-L43 HydrophobicContact CE1-CD2 4.33Å; Y15-L43 HydrophobicContact CE2-CD2 3.71Å; Y15-L43 HydrophobicContact CG-CD2 4.39Å; Y15-H217 HydrophobicContact CE1-CB 3.88Å; Y15-H217 AromaticContact CE1-CG 3.98Å; Y15-H217 AromaticContact CE1-ND1 3.52Å; Y15-H217 AromaticContact CZ-ND1 3.57Å; Y15-H217 WeakPolarHBondContact OH-CA 3.27Å; Y15-H217 PolarHBondContact OH-ND1 3.41Å; Y15-H217 PolarHBondContact OH-O 3.19Å; Y15-T220 HydrophobicContact CE2-CG2 4.05Å; Y15-T220 WeakPolarHBondContact OH-CB 3.01Å; Y15-T221 HydrophobicContact CD1-CG2 3.68Å; Y15-T221 HydrophobicContact CD2-CG2 3.54Å; Y15-T221 HydrophobicContact CE1-CG2 3.78Å; Y15-T221 HydrophobicContact CE2-CG2 3.67Å; Y15-T221 HydrophobicContact CG-CG2 3.54Å |
| 16 | F | 87.6 | Confident | 84.6 | Confident | 131 Ų | 131 | 76.9 Ų | 76.9 | 58% | 0.575 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -58.9 | -45.1 | 177.5 | -179.3 | -99.5 | 0 | 0 | 0 | 112.3 | G12 M13 E19 L20 | G12-F16 WeakPolarHBondContact O-CB 3.49Å; G12-F16 PolarHBondContact O-N 3.38Å; M13-F16 PolarHBondContact O-N 3.43Å; F16-E19 PolarHBondContact O-N 2.85Å; F16-L20 HydrophobicContact CE1-CD2 4.29Å; F16-L20 VanDerWaalsContact O-CB 3.24Å; F16-L20 WeakPolarHBondContact O-CB 3.48Å; F16-L20 PolarHBondContact O-N 2.91Å |
| 17 | I | 87.5 | Confident | 82.9 | Confident | 97 Ų | 97 | 78.9 Ų | 78.9 | 50% | 0.497 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 178.5 | -69 | 165.2 | 0 | 0 | 0 | 111.4 | M13 Y15 R21 | M13-I17 WeakPolarHBondContact O-CB 3.47Å; M13-I17 WeakPolarHBondContact O-CD1 3.49Å; M13-I17 VanDerWaalsContact O-CG1 3.22Å; M13-I17 WeakPolarHBondContact O-CG1 3.38Å; M13-I17 PolarHBondContact O-N 3.26Å; Y15-I17 PolarHBondContact O-N 3.32Å; I17-R21 VanDerWaalsContact O-CB 3.31Å; I17-R21 WeakPolarHBondContact O-CB 3.27Å; I17-R21 PolarHBondContact O-N 3.43Å |
| 18 | L | 83.5 | Confident | 81.2 | Confident | 40 Ų | 40 | 88 Ų | 88 | 21% | 0.209 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 179.3 | -71.4 | 172.7 | 0 | 0 | 0 | 111.9 | S14 Y15 R21 S22 K39 L43 | S14-L18 WeakPolarHBondContact O-CB 3.33Å; S14-L18 VanDerWaalsContact O-CG 3.22Å; S14-L18 WeakPolarHBondContact O-CG 3.5Å; S14-L18 PolarHBondContact O-N 3.48Å; S14-L18 VanDerWaalsContact O-N 3.09Å; Y15-L18 PolarHBondContact O-N 3.01Å; L18-R21 PolarHBondContact O-N 2.94Å; L18-S22 PolarHBondContact O-N 3.36Å; L18-K39 HydrophobicContact CD2-CB 3.89Å; L18-K39 HydrophobicContact CD2-CD 3.9Å; L18-K39 HydrophobicContact CD2-CG 3.87Å; L18-L43 HydrophobicContact CD1-CD1 3.53Å; L18-L43 HydrophobicContact CD1-CD2 3.8Å; L18-L43 HydrophobicContact CD1-CG 3.7Å |
| 19 | E | 82.2 | Confident | 79.4 | Confident | 120 Ų | 120 | 91.4 Ų | 91.4 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -71.2 | -40 | 177.9 | -144.2 | 70.4 | -177.2 | 0 | 0 | 111.7 | Y15 F16 R21 S22 L23 | Y15-E19 WeakPolarHBondContact O-CB 3.42Å; Y15-E19 PolarHBondContact O-N 2.96Å; F16-E19 PolarHBondContact O-N 2.85Å; E19-R21 PolarHBondContact O-N 2.88Å; E19-S22 WeakPolarHBondContact CA-OG 3.26Å; E19-S22 PolarHBondContact O-N 3.35Å; E19-S22 PolarHBondContact O-OG 3.4Å; E19-L23 WeakPolarHBondContact O-CG 3.49Å; E19-L23 PolarHBondContact O-N 2.88Å |
| 20 | L | 83.3 | Confident | 78 | Confident | 82 Ų | 82 | 91 Ų | 91 | 43% | 0.429 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.2 | -38.1 | 173.3 | -176 | 64.7 | 0 | 0 | 0 | 110.9 | F16 L24 | F16-L20 HydrophobicContact CE1-CD2 4.29Å; F16-L20 VanDerWaalsContact O-CB 3.24Å; F16-L20 WeakPolarHBondContact O-CB 3.48Å; F16-L20 PolarHBondContact O-N 2.91Å; L20-L24 HydrophobicContact CG-CD1 4.2Å; L20-L24 VanDerWaalsContact O-CG 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.27Å; L20-L24 PolarHBondContact O-N 3.27Å |
| 21 | R | 78.4 | Confident | 77.1 | Confident | 117 Ų | 117 | 96.3 Ų | 96.3 | 44% | 0.442 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.4 | -35 | 177.2 | -171.3 | 174 | -176.8 | 172 | 2 | 112.8 | I17 L18 E19 L23 L24 N25 | I17-R21 VanDerWaalsContact O-CB 3.31Å; I17-R21 WeakPolarHBondContact O-CB 3.27Å; I17-R21 PolarHBondContact O-N 3.43Å; L18-R21 PolarHBondContact O-N 2.94Å; E19-R21 PolarHBondContact O-N 2.88Å; R21-L23 VanDerWaalsContact C-N 3.34Å; R21-L24 PolarHBondContact O-N 2.9Å; R21-N25 WeakPolarHBondContact O-CB 3.44Å; R21-N25 PolarHBondContact O-N 3.42Å |
| 22 | S | 75.8 | Confident | 76.5 | Confident | 54 Ų | 54 | 100 Ų | 100 | 38% | 0.378 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 174.4 | 66.1 | 0 | 0 | 0 | 0 | 111 | L18 E19 N25 | L18-S22 PolarHBondContact O-N 3.36Å; E19-S22 WeakPolarHBondContact CA-OG 3.26Å; E19-S22 PolarHBondContact O-N 3.35Å; E19-S22 PolarHBondContact O-OG 3.4Å; S22-N25 CarbonylContact O-C 3.57Å; S22-N25 PolarHBondContact O-N 3.32Å |
| 23 | L | 78.4 | Confident | 76.1 | Confident | 120 Ų | 120 | 98.4 Ų | 98.4 | 63% | 0.628 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.8 | -35.7 | 174.2 | -69.2 | 172.4 | 0 | 0 | 0 | 113.3 | E19 R21 | E19-L23 WeakPolarHBondContact O-CG 3.49Å; E19-L23 PolarHBondContact O-N 2.88Å; R21-L23 VanDerWaalsContact C-N 3.34Å |
| 24 | L | 80.4 | Confident | 75.8 | Confident | 131 Ų | 131 | 100.4 Ų | 100.4 | 69% | 0.686 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -78.4 | -25.7 | 178.8 | -71.7 | 171.1 | 0 | 0 | 0 | 113.3 | L20 R21 | L20-L24 HydrophobicContact CG-CD1 4.2Å; L20-L24 VanDerWaalsContact O-CG 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.27Å; L20-L24 PolarHBondContact O-N 3.27Å; R21-L24 PolarHBondContact O-N 2.9Å |
| 25 | N | 69.2 | Low | 75.6 | Confident | 82 Ų | 82 | 103.2 Ų | 103.2 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | trans | -102.4 | 63.4 | 179.8 | -70.5 | -0.6 | 0 | 0 | 0 | 110 | R21 S22 D27 | R21-N25 WeakPolarHBondContact O-CB 3.44Å; R21-N25 PolarHBondContact O-N 3.42Å; S22-N25 CarbonylContact O-C 3.57Å; S22-N25 PolarHBondContact O-N 3.32Å; N25-D27 PolarHBondContact O-N 2.85Å; N25-D27 VanDerWaalsContact O-N 3.13Å | ||
| 26 | E | 59.5 | Low | 75.6 | Confident | 165 Ų | 165 | 101.7 Ų | 101.7 | 77% | 0.771 | 50% | 0.5 | S | S | * | . | trans | -66.1 | -3.4 | 172.9 | -79.7 | -175 | 161.9 | 0 | 0 | 113.7 | E28 | E26-E28 VanDerWaalsContact C-N 3.32Å; E26-E28 PolarHBondContact O-N 2.87Å | ||
| 27 | D | 55.8 | Low | 75.7 | Confident | 132 Ų | 132 | 95.6 Ų | 95.6 | 71% | 0.706 | 47% | 0.474 | S | S | * | . | trans | -72.6 | 85 | 174.5 | -97.2 | -27.9 | 0 | 0 | 0 | 111.3 | N25 S29 | N25-D27 PolarHBondContact O-N 2.85Å; N25-D27 VanDerWaalsContact O-N 3.13Å; D27-S29 PolarHBondContact O-N 3.37Å | ||
| 28 | E | 56 | Low | 75.7 | Confident | 192 Ų | 192 | 95.1 Ų | 95.1 | 90% | 0.897 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 0.9 | 168.6 | -74.4 | -167.5 | 145.7 | 0 | 0 | 114.2 | E26 Q30 | E26-E28 VanDerWaalsContact C-N 3.32Å; E26-E28 PolarHBondContact O-N 2.87Å; E28-Q30 VanDerWaalsContact C-N 3.25Å; E28-Q30 PolarHBondContact O-N 3.01Å |
| 29 | S | 55 | Low | 75.9 | Confident | 94 Ų | 94 | 95.2 Ų | 95.2 | 66% | 0.657 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -12.4 | -177 | 68.2 | 0 | 0 | 0 | 0 | 114.4 | D27 K31 | D27-S29 PolarHBondContact O-N 3.37Å; S29-K31 PolarHBondContact O-N 3.04Å |
| 30 | Q | 62.3 | Low | 76.2 | Confident | 111 Ų | 111 | 89.6 Ų | 89.6 | 52% | 0.519 | 45% | 0.452 | S | S | . | . | trans | -82.1 | 100.3 | -179.3 | -71.6 | -171.4 | -3.1 | 0 | 0 | 112.6 | E28 H32 F109 | E28-Q30 VanDerWaalsContact C-N 3.25Å; E28-Q30 PolarHBondContact O-N 3.01Å; Q30-H32 PolarHBondContact O-N 3.2Å; Q30-F109 WeakPolarHBondContact O-CB 3.08Å | ||
| 31 | K | 72.3 | Confident | 76.6 | Confident | 178 Ų | 178 | 86.1 Ų | 86.1 | 77% | 0.774 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -60.7 | -30.7 | 171.4 | -71.7 | -178.4 | 179.2 | 177.6 | 0 | 113.5 | S29 | S29-K31 PolarHBondContact O-N 3.04Š|
| 32 | H | 80 | Confident | 77.1 | Confident | 83 Ų | 83 | 84.3 Ų | 84.3 | 38% | 0.384 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 135.5 | -175.6 | -62.8 | -56 | 0 | 0 | 0 | 112.1 | Q30 Y34 P106 I107 | Q30-H32 PolarHBondContact O-N 3.2Å; H32-Y34 HydrophobicContact CB-CE2 4.46Å; H32-P106 HydrophobicContact CB-CB 4.32Å; H32-I107 CarbonylContact C-O 3.4Å; H32-I107 WeakPolarHBondContact CA-O 3.49Å |
| 33 | D | 82.8 | Confident | 77.8 | Confident | 7 Ų | 7 | 82.6 Ų | 82.6 | 4% | 0.037 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 105.2 | 173.1 | -173.4 | -2.9 | 0 | 0 | 0 | 110.8 | T35 C36 K39 I107 F109 | D33-T35 PolarHBondContact O-N 3.49Å; D33-T35 WeakPolarHBondContact OD1-CA 3.38Å; D33-T35 WeakPolarHBondContact OD1-CB 3.39Å; D33-T35 PolarHBondContact OD1-N 3.35Å; D33-T35 PolarHBondContact OD1-OG1 3.41Å; D33-C36 HydrophobicContact CB-CB 4.08Å; D33-C36 WeakPolarHBondContact O-CB 3.42Å; D33-C36 PolarHBondContact O-N 2.99Å; D33-C36 PolarHBondContact OD1-N 2.9Å; D33-K39 IonicContact OD1-NZ 3.17Å; D33-K39 IonicContact OD2-NZ 2.78Å; D33-K39 PolarHBondContact OD2-NZ 3.49Å; D33-I107 PolarHBondContact N-O 3.45Å; D33-F109 HydrophobicContact CB-CD2 4.13Å |
| 34 | Y | 84.5 | Confident | 78.3 | Confident | 138 Ų | 138 | 77.1 Ų | 77.1 | 54% | 0.541 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -14.9 | 175.7 | -62.6 | -84.9 | 0 | 0 | 0 | 113.6 | H32 P106 | H32-Y34 HydrophobicContact CB-CE2 4.46Å; Y34-P106 HydrophobicContact CE1-CB 3.95Å |
| 35 | T | 85.9 | Confident | 78.9 | Confident | 61 Ų | 61 | 72.5 Ų | 72.5 | 37% | 0.374 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -1.5 | 178.4 | 66.7 | 0 | 0 | 0 | 0 | 113 | D33 C37 S38 K39 | D33-T35 PolarHBondContact O-N 3.49Å; D33-T35 WeakPolarHBondContact OD1-CA 3.38Å; D33-T35 WeakPolarHBondContact OD1-CB 3.39Å; D33-T35 PolarHBondContact OD1-N 3.35Å; D33-T35 PolarHBondContact OD1-OG1 3.41Å; T35-C37 PolarHBondContact O-N 3.16Å; T35-S38 PolarHBondContact O-N 3.11Å; T35-K39 PolarHBondContact O-N 3.35Å; T35-K39 WeakPolarHBondContact OG1-CE 3.27Å; T35-K39 PolarHBondContact OG1-NZ 2.92Å |
| 36 | C | 86.7 | Confident | 80 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -50.9 | -52.9 | -177.4 | 171.5 | 0 | 0 | 0 | 0 | 112 | D33 S38 K39 S40 I107 C112 | D33-C36 HydrophobicContact CB-CB 4.08Å; D33-C36 WeakPolarHBondContact O-CB 3.42Å; D33-C36 PolarHBondContact O-N 2.99Å; D33-C36 PolarHBondContact OD1-N 2.9Å; C36-S38 VanDerWaalsContact C-N 3.3Å; C36-S38 PolarHBondContact O-N 3.35Å; C36-K39 WeakPolarHBondContact O-CB 3.12Å; C36-K39 PolarHBondContact O-N 3.44Å; C36-S40 PolarHBondContact O-N 2.94Å; C36-S40 PolarHBondContact O-OG 3.23Å; C36-S40 VanDerWaalsContact O-OG 3.11Å; C36-I107 HydrophobicContact CB-CB 4.17Å; C36-I107 HydrophobicContact CB-CD1 4.23Å; C36-I107 HydrophobicContact CB-CG2 4.44Å; C36-C112 WeakPolarHBondContact CA-SG 3.27Å; C36-C112 HydrophobicContact CB-CB 3.97Å; C36-C112 WeakPolarHBondContact CB-SG 3.43Å; C36-C112 WeakPolarHBondContact SG-CA 3.34Å; C36-C112 WeakPolarHBondContact SG-CB 3.33Å; C36-C112 CovalentContact SG-SG 2.03Å; C36-C112 PolarHBondContact SG-SG 3.03Å |
| 37 | C | 90.2 | Very high | 81.5 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.02 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.3 | -30.8 | -175.7 | -68.7 | 0 | 0 | 0 | 0 | 114.3 | T35 A41 G102 I107 C117 | T35-C37 PolarHBondContact O-N 3.16Å; C37-A41 VanDerWaalsContact O-CB 3.26Å; C37-A41 WeakPolarHBondContact O-CB 3.32Å; C37-A41 PolarHBondContact O-N 3.2Å; C37-G102 WeakPolarHBondContact CB-O 3.33Å; C37-G102 WeakPolarHBondContact SG-CA 3.03Å; C37-I107 WeakPolarHBondContact SG-CD1 3.11Å; C37-C117 WeakPolarHBondContact CA-SG 3.34Å; C37-C117 HydrophobicContact CB-CB 3.84Å; C37-C117 WeakPolarHBondContact CB-SG 3.45Å; C37-C117 WeakPolarHBondContact SG-CA 3.36Å; C37-C117 WeakPolarHBondContact SG-CB 3.11Å; C37-C117 CovalentContact SG-SG 2.04Å; C37-C117 PolarHBondContact SG-SG 3.17Å |
| 38 | S | 88.1 | Confident | 83.3 | Confident | 87 Ų | 87 | 54.8 Ų | 54.8 | 61% | 0.608 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -67.5 | -40.7 | 173.3 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | T35 C36 | T35-S38 PolarHBondContact O-N 3.11Å; C36-S38 VanDerWaalsContact C-N 3.3Å; C36-S38 PolarHBondContact O-N 3.35Å |
| 39 | K | 87 | Confident | 85.1 | Confident | 42 Ų | 42 | 46 Ų | 46 | 18% | 0.183 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.8 | -46.9 | 175.8 | -64.2 | 170.3 | -172.6 | 164.2 | 0 | 110.6 | L18 D33 T35 C36 A41 L42 L43 | L18-K39 HydrophobicContact CD2-CB 3.89Å; L18-K39 HydrophobicContact CD2-CD 3.9Å; L18-K39 HydrophobicContact CD2-CG 3.87Å; D33-K39 IonicContact OD1-NZ 3.17Å; D33-K39 IonicContact OD2-NZ 2.78Å; D33-K39 PolarHBondContact OD2-NZ 3.49Å; T35-K39 PolarHBondContact O-N 3.35Å; T35-K39 WeakPolarHBondContact OG1-CE 3.27Å; T35-K39 PolarHBondContact OG1-NZ 2.92Å; C36-K39 WeakPolarHBondContact O-CB 3.12Å; C36-K39 PolarHBondContact O-N 3.44Å; K39-A41 VanDerWaalsContact C-N 3.27Å; K39-A41 PolarHBondContact O-N 2.93Å; K39-L42 PolarHBondContact O-N 3.49Å; K39-L43 PolarHBondContact O-N 3.46Å |
| 40 | S | 88.3 | Confident | 86.9 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.2 | -28.9 | 178.5 | -56.3 | 0 | 0 | 0 | 0 | 112.8 | C36 L43 S44 | C36-S40 PolarHBondContact O-N 2.94Å; C36-S40 PolarHBondContact O-OG 3.23Å; C36-S40 VanDerWaalsContact O-OG 3.11Å; S40-L43 PolarHBondContact O-N 3.14Å; S40-S44 VanDerWaalsContact O-CB 3.22Å; S40-S44 WeakPolarHBondContact O-CB 3.48Å; S40-S44 PolarHBondContact O-N 3.35Å |
| 41 | A | 91.5 | Very high | 88.4 | Confident | 9 Ų | 9 | 36.4 Ų | 36.4 | 7% | 0.074 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.1 | -41.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | C37 K39 S44 F45 S95 I98 A99 | C37-A41 VanDerWaalsContact O-CB 3.26Å; C37-A41 WeakPolarHBondContact O-CB 3.32Å; C37-A41 PolarHBondContact O-N 3.2Å; K39-A41 VanDerWaalsContact C-N 3.27Å; K39-A41 PolarHBondContact O-N 2.93Å; A41-S44 PolarHBondContact O-N 3.32Å; A41-F45 PolarHBondContact O-N 3.49Å; A41-S95 WeakPolarHBondContact CB-O 3.36Å; A41-S95 VanDerWaalsContact O-CB 3.31Å; A41-S95 WeakPolarHBondContact O-CB 3.5Å; A41-S95 PolarHBondContact O-OG 3.45Å; A41-I98 HydrophobicContact CB-CB 4.41Å; A41-I98 HydrophobicContact CB-CG2 4.04Å; A41-A99 HydrophobicContact CB-CB 4.01Å |
| 42 | L | 90.2 | Very high | 89.4 | Confident | 78 Ų | 78 | 29.1 Ų | 29.1 | 41% | 0.408 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65.7 | -46.4 | 176.3 | -176.8 | 66.1 | 0 | 0 | 0 | 111.4 | K39 S44 F45 C46 | K39-L42 PolarHBondContact O-N 3.49Å; L42-S44 VanDerWaalsContact C-N 3.29Å; L42-S44 PolarHBondContact O-N 2.95Å; L42-F45 VanDerWaalsContact O-CB 3.32Å; L42-F45 WeakPolarHBondContact O-CB 3.3Å; L42-F45 PolarHBondContact O-N 2.69Å; L42-F45 VanDerWaalsContact O-N 3.12Å; L42-C46 PolarHBondContact O-N 2.7Å; L42-C46 PolarHBondContact O-SG 2.88Å; L42-C46 VanDerWaalsContact O-SG 3.4Å |
| 43 | L | 89.3 | Confident | 90.1 | Very high | 18 Ų | 18 | 25.4 Ų | 25.4 | 9% | 0.094 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62 | -38.9 | 176 | -69.5 | 179.9 | 0 | 0 | 0 | 112.2 | Y15 L18 K39 S40 F45 C46 N47 | Y15-L43 HydrophobicContact CD2-CD2 3.97Å; Y15-L43 HydrophobicContact CE1-CD2 4.33Å; Y15-L43 HydrophobicContact CE2-CD2 3.71Å; Y15-L43 HydrophobicContact CG-CD2 4.39Å; L18-L43 HydrophobicContact CD1-CD1 3.53Å; L18-L43 HydrophobicContact CD1-CD2 3.8Å; L18-L43 HydrophobicContact CD1-CG 3.7Å; K39-L43 PolarHBondContact O-N 3.46Å; S40-L43 PolarHBondContact O-N 3.14Å; L43-F45 VanDerWaalsContact C-N 3.3Å; L43-F45 PolarHBondContact O-N 2.8Å; L43-C46 PolarHBondContact O-N 3.48Å; L43-N47 WeakPolarHBondContact O-CB 3.44Å; L43-N47 PolarHBondContact O-N 2.99Å |
| 44 | S | 90.3 | Very high | 90.6 | Very high | 5 Ų | 5 | 25 Ų | 25 | 4% | 0.035 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.7 | -34.8 | 175.6 | -158.5 | 0 | 0 | 0 | 0 | 111.7 | S40 A41 L42 N48 I98 | S40-S44 VanDerWaalsContact O-CB 3.22Å; S40-S44 WeakPolarHBondContact O-CB 3.48Å; S40-S44 PolarHBondContact O-N 3.35Å; A41-S44 PolarHBondContact O-N 3.32Å; L42-S44 VanDerWaalsContact C-N 3.29Å; L42-S44 PolarHBondContact O-N 2.95Å; S44-N48 VanDerWaalsContact O-CB 3.29Å; S44-N48 WeakPolarHBondContact O-CB 3.33Å; S44-N48 VanDerWaalsContact O-CG 3.31Å; S44-N48 PolarHBondContact O-N 2.9Å; S44-N48 PolarHBondContact O-ND2 2.92Å; S44-N48 PolarHBondContact OG-ND2 2.86Å; S44-I98 VanDerWaalsContact CB-CD1 3.49Å; S44-I98 WeakPolarHBondContact OG-CD1 3.45Å |
| 45 | F | 93 | Very high | 91 | Very high | 34 Ų | 34 | 20 Ų | 20 | 15% | 0.149 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.6 | -56.4 | 174 | 173.5 | -99.4 | 0 | 0 | 0 | 109.5 | L10 A41 L42 L43 N47 N48 N49 T88 V92 S95 | L10-F45 HydrophobicContact CD2-CD1 3.74Å; L10-F45 HydrophobicContact CD2-CE1 3.56Å; A41-F45 PolarHBondContact O-N 3.49Å; L42-F45 VanDerWaalsContact O-CB 3.32Å; L42-F45 WeakPolarHBondContact O-CB 3.3Å; L42-F45 PolarHBondContact O-N 2.69Å; L42-F45 VanDerWaalsContact O-N 3.12Å; L43-F45 VanDerWaalsContact C-N 3.3Å; L43-F45 PolarHBondContact O-N 2.8Å; F45-N47 VanDerWaalsContact C-N 3.3Å; F45-N47 PolarHBondContact O-N 3.27Å; F45-N48 PolarHBondContact O-N 2.83Å; F45-N49 HydrophobicContact CE1-CB 4.34Å; F45-N49 HydrophobicContact CE2-CB 4.29Å; F45-N49 HydrophobicContact CZ-CB 4.16Å; F45-N49 WeakPolarHBondContact O-CB 3.43Å; F45-N49 PolarHBondContact O-N 3.5Å; F45-T88 HydrophobicContact CE2-CG2 4.07Å; F45-T88 HydrophobicContact CZ-CG2 4.02Å; F45-V92 HydrophobicContact CD2-CG2 4.11Å; F45-V92 HydrophobicContact CE2-CG2 3.6Å; F45-S95 WeakPolarHBondContact CA-OG 3.19Å; F45-S95 WeakPolarHBondContact CB-OG 3.33Å; F45-S95 PolarHBondContact N-OG 3.4Å |
| 46 | C | 92 | Very high | 91.3 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.007 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -54.3 | -45.9 | -179 | -69 | 0 | 0 | 0 | 0 | 112.2 | N7 T11 L42 L43 A50 | N7-C46 PolarHBondContact ND2-O 2.97Å; N7-C46 PolarHBondContact OD1-O 3.48Å; T11-C46 HydrophobicContact CG2-CB 4.38Å; T11-C46 WeakPolarHBondContact OG1-CB 3.41Å; L42-C46 PolarHBondContact O-N 2.7Å; L42-C46 PolarHBondContact O-SG 2.88Å; L42-C46 VanDerWaalsContact O-SG 3.4Å; L43-C46 PolarHBondContact O-N 3.48Å; C46-A50 WeakPolarHBondContact O-CB 3.26Å; C46-A50 PolarHBondContact O-N 3.49Å |
| 47 | N | 91.2 | Very high | 91.6 | Very high | 3 Ų | 3 | 18.3 Ų | 18.3 | 2% | 0.016 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.4 | -46.1 | -178.9 | -175.3 | 31.2 | 0 | 0 | 0 | 112.7 | L43 F45 A50 L51 Q190 F216 T220 | L43-N47 WeakPolarHBondContact O-CB 3.44Å; L43-N47 PolarHBondContact O-N 2.99Å; F45-N47 VanDerWaalsContact C-N 3.3Å; F45-N47 PolarHBondContact O-N 3.27Å; N47-A50 PolarHBondContact O-N 3.35Å; N47-L51 PolarHBondContact O-N 2.92Å; N47-Q190 PolarHBondContact O-NE2 3.44Å; N47-Q190 PolarHBondContact OD1-NE2 3.07Å; N47-Q190 PolarHBondContact OD1-OE1 3.42Å; N47-F216 WeakPolarHBondContact ND2-CE2 3.41Å; N47-F216 WeakPolarHBondContact ND2-CZ 3.46Å; N47-T220 HydrophobicContact CB-CG2 4.31Å |
| 48 | N | 92.5 | Very high | 91.7 | Very high | 3 Ų | 3 | 18.2 Ų | 18.2 | 2% | 0.016 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -70.8 | -34.3 | 179.2 | -69.4 | -41.3 | 0 | 0 | 0 | 111.9 | S44 F45 A50 L51 M52 R194 | S44-N48 VanDerWaalsContact O-CB 3.29Å; S44-N48 WeakPolarHBondContact O-CB 3.33Å; S44-N48 VanDerWaalsContact O-CG 3.31Å; S44-N48 PolarHBondContact O-N 2.9Å; S44-N48 PolarHBondContact O-ND2 2.92Å; S44-N48 PolarHBondContact OG-ND2 2.86Å; F45-N48 PolarHBondContact O-N 2.83Å; N48-A50 VanDerWaalsContact C-N 3.34Å; N48-L51 PolarHBondContact O-N 3.33Å; N48-M52 WeakPolarHBondContact O-CG 3.4Å; N48-M52 PolarHBondContact O-N 2.94Å; N48-R194 PolarHBondContact OD1-NH2 2.97Å |
| 49 | N | 93.7 | Very high | 91.9 | Very high | 8 Ų | 8 | 16.5 Ų | 16.5 | 4% | 0.043 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -72.9 | -28 | 178.9 | -171.6 | 57.2 | 0 | 0 | 0 | 111.7 | N7 F45 S53 T88 S91 | N7-N49 WeakPolarHBondContact OD1-CB 3.44Å; N7-N49 PolarHBondContact OD1-ND2 3.47Å; F45-N49 HydrophobicContact CE1-CB 4.34Å; F45-N49 HydrophobicContact CE2-CB 4.29Å; F45-N49 HydrophobicContact CZ-CB 4.16Å; F45-N49 WeakPolarHBondContact O-CB 3.43Å; F45-N49 PolarHBondContact O-N 3.5Å; N49-S53 WeakPolarHBondContact O-CB 3.35Å; N49-S53 PolarHBondContact O-N 2.82Å; N49-S53 PolarHBondContact O-OG 2.85Å; N49-T88 PolarHBondContact OD1-OG1 2.96Å; N49-S91 WeakPolarHBondContact CA-OG 3.32Å; N49-S91 WeakPolarHBondContact CB-OG 3.4Å; N49-S91 PolarHBondContact N-OG 2.81Å; N49-S91 VanDerWaalsContact N-OG 3.14Å |
| 50 | A | 93.2 | Very high | 92.1 | Very high | 3 Ų | 3 | 15.1 Ų | 15.1 | 3% | 0.025 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.5 | -48 | 168 | 0 | 0 | 0 | 0 | 0 | 111.5 | N7 C46 N47 N48 S53 A54 | N7-A50 PolarHBondContact ND2-N 3.26Å; C46-A50 WeakPolarHBondContact O-CB 3.26Å; C46-A50 PolarHBondContact O-N 3.49Å; N47-A50 PolarHBondContact O-N 3.35Å; N48-A50 VanDerWaalsContact C-N 3.34Å; A50-S53 PolarHBondContact O-N 2.98Å; A50-A54 PolarHBondContact O-N 3.33Å |
| 51 | L | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.8 | -47.9 | 177.2 | 179 | 63 | 0 | 0 | 0 | 111.7 | N47 N48 S53 A54 V55 N131 L134 A135 I138 Q190 | N47-L51 PolarHBondContact O-N 2.92Å; N48-L51 PolarHBondContact O-N 3.33Å; L51-S53 VanDerWaalsContact C-N 3.33Å; L51-S53 PolarHBondContact O-N 3.5Å; L51-A54 WeakPolarHBondContact O-CA 3.27Å; L51-A54 WeakPolarHBondContact O-CB 3.1Å; L51-A54 PolarHBondContact O-N 3.5Å; L51-A54 VanDerWaalsContact O-N 3.07Å; L51-V55 PolarHBondContact O-N 3.23Å; L51-N131 HydrophobicContact CD2-CB 3.81Å; L51-L134 HydrophobicContact CD2-CB 4.47Å; L51-A135 HydrophobicContact CD1-CB 4.03Å; L51-I138 HydrophobicContact CD1-CD1 3.66Å; L51-Q190 HydrophobicContact CB-CG 4.39Å; L51-Q190 HydrophobicContact CD1-CB 4.48Å; L51-Q190 HydrophobicContact CD1-CG 4.27Å |
| 52 | M | 94.4 | Very high | 92.1 | Very high | 25 Ų | 25 | 17.9 Ų | 17.9 | 12% | 0.123 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68 | -33.7 | -179.7 | -68.5 | -51.7 | -56.3 | 0 | 0 | 112.6 | N48 A54 V55 A56 S87 Y90 L134 | N48-M52 WeakPolarHBondContact O-CG 3.4Å; N48-M52 PolarHBondContact O-N 2.94Å; M52-A54 VanDerWaalsContact C-N 3.26Å; M52-A54 PolarHBondContact O-N 2.86Å; M52-V55 HydrophobicContact CE-CB 4.26Å; M52-V55 HydrophobicContact CE-CG1 4.4Å; M52-V55 HydrophobicContact CE-CG2 4.26Å; M52-V55 WeakPolarHBondContact O-CB 3.38Å; M52-V55 PolarHBondContact O-N 3.31Å; M52-V55 VanDerWaalsContact O-N 3.14Å; M52-V55 HydrophobicContact SD-CG2 4.17Å; M52-A56 PolarHBondContact O-N 3.37Å; M52-S87 WeakPolarHBondContact CB-OG 3.32Å; M52-S87 PolarHBondContact O-OG 3.27Å; M52-Y90 HydrophobicContact CG-CD1 3.47Å; M52-Y90 VanDerWaalsContact CG-CD1 3.47Å; M52-Y90 HydrophobicContact CG-CE1 3.98Å; M52-Y90 HydrophobicContact CG-CG 4.32Å; M52-Y90 HydrophobicContact SD-CD1 3.81Å; M52-Y90 HydrophobicContact SD-CE1 3.96Å; M52-Y90 HydrophobicContact SD-CG 4.43Å; M52-L134 HydrophobicContact SD-CD1 4.28Å |
| 53 | S | 93.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 15.4 Ų | 15.4 | 4% | 0.035 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.9 | -36.1 | 170.6 | -66.1 | 0 | 0 | 0 | 0 | 111.3 | N49 A50 L51 A56 L57 S87 | N49-S53 WeakPolarHBondContact O-CB 3.35Å; N49-S53 PolarHBondContact O-N 2.82Å; N49-S53 PolarHBondContact O-OG 2.85Å; A50-S53 PolarHBondContact O-N 2.98Å; L51-S53 VanDerWaalsContact C-N 3.33Å; L51-S53 PolarHBondContact O-N 3.5Å; S53-A56 PolarHBondContact O-N 2.95Å; S53-L57 WeakPolarHBondContact O-CB 3.25Å; S53-L57 VanDerWaalsContact O-CG 3.28Å; S53-L57 WeakPolarHBondContact O-CG 3.43Å; S53-L57 PolarHBondContact O-N 2.98Å; S53-S87 PolarHBondContact N-OG 3.06Å |
| 54 | A | 93.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -67 | -38.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M4 A50 L51 M52 L57 S58 I138 V186 | M4-A54 HydrophobicContact CE-CB 4.08Å; A50-A54 PolarHBondContact O-N 3.33Å; L51-A54 WeakPolarHBondContact O-CA 3.27Å; L51-A54 WeakPolarHBondContact O-CB 3.1Å; L51-A54 PolarHBondContact O-N 3.5Å; L51-A54 VanDerWaalsContact O-N 3.07Å; M52-A54 VanDerWaalsContact C-N 3.26Å; M52-A54 PolarHBondContact O-N 2.86Å; A54-L57 PolarHBondContact O-N 3.24Å; A54-S58 WeakPolarHBondContact O-CB 3.47Å; A54-S58 PolarHBondContact O-N 2.94Å; A54-S58 PolarHBondContact O-OG 3.07Å; A54-I138 HydrophobicContact CB-CD1 4.23Å; A54-V186 HydrophobicContact CB-CB 4.48Å; A54-V186 HydrophobicContact CB-CG1 3.89Å |
| 55 | V | 93.4 | Very high | 91.9 | Very high | 31 Ų | 31 | 15.8 Ų | 15.8 | 19% | 0.188 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -57.4 | -51.5 | 171 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | L51 M52 L57 S58 V59 I138 | L51-V55 PolarHBondContact O-N 3.23Å; M52-V55 HydrophobicContact CE-CB 4.26Å; M52-V55 HydrophobicContact CE-CG1 4.4Å; M52-V55 HydrophobicContact CE-CG2 4.26Å; M52-V55 WeakPolarHBondContact O-CB 3.38Å; M52-V55 PolarHBondContact O-N 3.31Å; M52-V55 VanDerWaalsContact O-N 3.14Å; M52-V55 HydrophobicContact SD-CG2 4.17Å; V55-L57 VanDerWaalsContact C-N 3.31Å; V55-L57 PolarHBondContact O-N 3.36Å; V55-S58 PolarHBondContact O-N 3.48Å; V55-S58 VanDerWaalsContact O-N 3.14Å; V55-V59 HydrophobicContact CG1-CG2 4.28Å; V55-V59 WeakPolarHBondContact O-CG2 3.39Å; V55-V59 PolarHBondContact O-N 2.91Å; V55-I138 HydrophobicContact CB-CD1 4.37Å; V55-I138 HydrophobicContact CG2-CD1 3.44Å; V55-I138 VanDerWaalsContact CG2-CD1 3.44Å; V55-I138 HydrophobicContact CG2-CG1 3.85Å |
| 56 | A | 93.6 | Very high | 91.6 | Very high | 11 Ų | 11 | 17.2 Ų | 17.2 | 9% | 0.091 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.6 | -44.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | M52 S53 D60 L83 | M52-A56 PolarHBondContact O-N 3.37Å; S53-A56 PolarHBondContact O-N 2.95Å; A56-D60 WeakPolarHBondContact O-CB 3.41Å; A56-D60 PolarHBondContact O-N 2.94Å; A56-L83 HydrophobicContact CB-CD2 4.16Å; A56-L83 HydrophobicContact CB-CG 3.86Å; A56-L83 WeakPolarHBondContact O-CD2 3.3Å |
| 57 | L | 92 | Very high | 91.4 | Very high | 16 Ų | 16 | 22.4 Ų | 22.4 | 8% | 0.084 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.2 | -42.7 | 175.5 | -73.7 | 174.6 | 0 | 0 | 0 | 112.4 | M4 S53 A54 V55 D60 R61 L179 T183 | M4-L57 HydrophobicContact CE-CD1 3.47Å; M4-L57 VanDerWaalsContact CE-CD1 3.47Å; M4-L57 HydrophobicContact SD-CD1 3.77Å; S53-L57 WeakPolarHBondContact O-CB 3.25Å; S53-L57 VanDerWaalsContact O-CG 3.28Å; S53-L57 WeakPolarHBondContact O-CG 3.43Å; S53-L57 PolarHBondContact O-N 2.98Å; A54-L57 PolarHBondContact O-N 3.24Å; V55-L57 VanDerWaalsContact C-N 3.31Å; V55-L57 PolarHBondContact O-N 3.36Å; L57-D60 PolarHBondContact O-N 3.35Å; L57-R61 WeakPolarHBondContact O-CB 3.26Å; L57-R61 VanDerWaalsContact O-CG 3.25Å; L57-R61 WeakPolarHBondContact O-CG 3.36Å; L57-R61 PolarHBondContact O-N 2.79Å; L57-L179 HydrophobicContact CD1-CD2 4.08Å; L57-L179 HydrophobicContact CD2-CD2 3.85Å; L57-T183 HydrophobicContact CB-CG2 4.33Å |
| 58 | S | 92.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.007 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71.4 | -37.5 | -179 | -69.9 | 0 | 0 | 0 | 0 | 113.2 | A54 V55 R61 T62 I138 N142 | A54-S58 WeakPolarHBondContact O-CB 3.47Å; A54-S58 PolarHBondContact O-N 2.94Å; A54-S58 PolarHBondContact O-OG 3.07Å; V55-S58 PolarHBondContact O-N 3.48Å; V55-S58 VanDerWaalsContact O-N 3.14Å; S58-R61 PolarHBondContact O-N 2.93Å; S58-T62 WeakPolarHBondContact O-CB 3.4Å; S58-T62 PolarHBondContact O-N 3.46Å; S58-T62 PolarHBondContact O-OG1 3.48Å; S58-I138 WeakPolarHBondContact OG-CG2 3.46Å; S58-N142 PolarHBondContact OG-ND2 2.9Å; S58-N142 PolarHBondContact OG-OD1 3.14Å; S58-N142 VanDerWaalsContact OG-OD1 3.14Å |
| 59 | V | 92.3 | Very high | 90.8 | Very high | 51 Ų | 51 | 30 Ų | 30 | 31% | 0.309 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.2 | -49.1 | 171.8 | 171.1 | 0 | 0 | 0 | 0 | 110.1 | V55 R61 T62 V63 L83 | V55-V59 HydrophobicContact CG1-CG2 4.28Å; V55-V59 WeakPolarHBondContact O-CG2 3.39Å; V55-V59 PolarHBondContact O-N 2.91Å; V59-R61 VanDerWaalsContact C-N 3.32Å; V59-R61 PolarHBondContact O-N 3.37Å; V59-T62 PolarHBondContact O-N 3.35Å; V59-T62 VanDerWaalsContact O-N 3.14Å; V59-V63 WeakPolarHBondContact O-CG2 3.43Å; V59-V63 PolarHBondContact O-N 3.02Å; V59-L83 HydrophobicContact CB-CD1 4.44Å; V59-L83 HydrophobicContact CB-CD2 4.24Å; V59-L83 HydrophobicContact CG1-CD1 4.22Å; V59-L83 HydrophobicContact CG1-CD2 4.12Å |
| 60 | D | 91.4 | Very high | 90.6 | Very high | 12 Ų | 12 | 34.3 Ų | 34.3 | 6% | 0.064 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53.9 | -47.3 | 177 | 173.8 | 83.2 | 0 | 0 | 0 | 112 | A56 L57 V63 A64 Y71 F79 H80 L83 | A56-D60 WeakPolarHBondContact O-CB 3.41Å; A56-D60 PolarHBondContact O-N 2.94Å; L57-D60 PolarHBondContact O-N 3.35Å; D60-V63 PolarHBondContact O-N 3.42Å; D60-A64 WeakPolarHBondContact O-CB 3.14Å; D60-A64 PolarHBondContact O-N 3.33Å; D60-Y71 WeakPolarHBondContact OD1-CE2 3.42Å; D60-Y71 PolarHBondContact OD1-OH 3.34Å; D60-F79 HydrophobicContact CB-CE1 4.5Å; D60-H80 IonicContact OD1-CE1 2.9Å; D60-H80 PolarHBondContact OD1-CE1 3.48Å; D60-H80 IonicContact OD1-ND1 3.93Å; D60-H80 PolarHBondContact OD1-ND1 2.89Å; D60-L83 HydrophobicContact CB-CD2 4.31Å |
| 61 | R | 89.1 | Confident | 90.3 | Very high | 35 Ų | 35 | 36.6 Ų | 36.6 | 13% | 0.132 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.9 | -40 | 176.7 | -71 | -53.6 | 100.3 | 175.8 | 2.5 | 113.2 | L57 S58 V59 V63 A64 V65 Y71 L179 | L57-R61 WeakPolarHBondContact O-CB 3.26Å; L57-R61 VanDerWaalsContact O-CG 3.25Å; L57-R61 WeakPolarHBondContact O-CG 3.36Å; L57-R61 PolarHBondContact O-N 2.79Å; S58-R61 PolarHBondContact O-N 2.93Å; V59-R61 VanDerWaalsContact C-N 3.32Å; V59-R61 PolarHBondContact O-N 3.37Å; R61-V63 VanDerWaalsContact C-N 3.33Å; R61-V63 PolarHBondContact O-N 3.46Å; R61-A64 PolarHBondContact O-N 3.03Å; R61-V65 WeakPolarHBondContact O-CB 3.18Å; R61-V65 WeakPolarHBondContact O-CG2 3.43Å; R61-V65 PolarHBondContact O-N 3.42Å; R61-Y71 PolarHBondContact NH2-OH 3.42Å; R61-Y71 VanDerWaalsContact NH2-OH 3.11Å; R61-L179 HydrophobicContact CG-CD1 4.03Å |
| 62 | T | 91 | Very high | 89.9 | Confident | 35 Ų | 35 | 46.9 Ų | 46.9 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 177.7 | -58.5 | 0 | 0 | 0 | 0 | 110.4 | S58 V59 V65 C66 V145 | S58-T62 WeakPolarHBondContact O-CB 3.4Å; S58-T62 PolarHBondContact O-N 3.46Å; S58-T62 PolarHBondContact O-OG1 3.48Å; V59-T62 PolarHBondContact O-N 3.35Å; V59-T62 VanDerWaalsContact O-N 3.14Å; T62-V65 PolarHBondContact O-N 3.14Å; T62-C66 VanDerWaalsContact O-CB 3.24Å; T62-C66 WeakPolarHBondContact O-CB 3.26Å; T62-C66 PolarHBondContact O-N 2.77Å; T62-C66 PolarHBondContact O-SG 3.49Å; T62-C66 VanDerWaalsContact O-SG 3.36Å; T62-V145 HydrophobicContact CG2-CG2 4.3Å |
| 63 | V | 91 | Very high | 89.8 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 16% | 0.164 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 176.6 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | V59 D60 R61 V65 Q67 F70 Y71 F79 | V59-V63 WeakPolarHBondContact O-CG2 3.43Å; V59-V63 PolarHBondContact O-N 3.02Å; D60-V63 PolarHBondContact O-N 3.42Å; R61-V63 VanDerWaalsContact C-N 3.33Å; R61-V63 PolarHBondContact O-N 3.46Å; V63-V65 VanDerWaalsContact C-N 3.28Å; V63-V65 PolarHBondContact O-N 2.8Å; V63-Q67 CarbonylContact O-C 3.57Å; V63-Q67 WeakPolarHBondContact O-CA 3.41Å; V63-Q67 PolarHBondContact O-N 2.74Å; V63-F70 HydrophobicContact CG1-CD1 3.79Å; V63-F70 HydrophobicContact CG1-CE1 4.09Å; V63-Y71 HydrophobicContact CG1-CD2 4.2Å; V63-F79 HydrophobicContact CB-CZ 3.89Å; V63-F79 HydrophobicContact CG1-CE2 4.47Å; V63-F79 HydrophobicContact CG1-CZ 4.05Å; V63-F79 HydrophobicContact CG2-CE2 4.2Å; V63-F79 HydrophobicContact CG2-CZ 3.81Å |
| 64 | A | 88.2 | Confident | 89.6 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 3% | 0.033 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.8 | -39.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D60 R61 Y71 | D60-A64 WeakPolarHBondContact O-CB 3.14Å; D60-A64 PolarHBondContact O-N 3.33Å; R61-A64 PolarHBondContact O-N 3.03Å; A64-Y71 HydrophobicContact CB-CD1 4.23Å; A64-Y71 HydrophobicContact CB-CD2 3.72Å; A64-Y71 HydrophobicContact CB-CE1 4.32Å; A64-Y71 HydrophobicContact CB-CE2 3.76Å; A64-Y71 HydrophobicContact CB-CG 3.95Å |
| 65 | V | 85.9 | Confident | 89.4 | Confident | 27 Ų | 27 | 55.7 Ų | 55.7 | 16% | 0.164 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -82.4 | -44.4 | -177.7 | 171.5 | 0 | 0 | 0 | 0 | 112 | R61 T62 V63 V145 Y148 | R61-V65 WeakPolarHBondContact O-CB 3.18Å; R61-V65 WeakPolarHBondContact O-CG2 3.43Å; R61-V65 PolarHBondContact O-N 3.42Å; T62-V65 PolarHBondContact O-N 3.14Å; V63-V65 VanDerWaalsContact C-N 3.28Å; V63-V65 PolarHBondContact O-N 2.8Å; V65-V145 HydrophobicContact CB-CG1 4.18Å; V65-V145 HydrophobicContact CG1-CG1 4.27Å; V65-V145 HydrophobicContact CG2-CG1 3.85Å; V65-Y148 HydrophobicContact CG1-CD1 3.41Å; V65-Y148 VanDerWaalsContact CG1-CD1 3.41Å; V65-Y148 HydrophobicContact CG1-CE1 3.73Å |
| 66 | C | 87.2 | Confident | 89.2 | Confident | 64 Ų | 64 | 59.4 Ų | 59.4 | 43% | 0.432 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -79.9 | -29.9 | -176 | -65.2 | 0 | 0 | 0 | 0 | 112.9 | T62 | T62-C66 VanDerWaalsContact O-CB 3.24Å; T62-C66 WeakPolarHBondContact O-CB 3.26Å; T62-C66 PolarHBondContact O-N 2.77Å; T62-C66 PolarHBondContact O-SG 3.49Å; T62-C66 VanDerWaalsContact O-SG 3.36Å |
| 67 | Q | 87.9 | Confident | 89 | Confident | 109 Ų | 109 | 67.7 Ų | 67.7 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | trans | -135.2 | 64.1 | -175.4 | -61.6 | -174.1 | -13.3 | 0 | 0 | 112.2 | V63 L69 F70 Y71 | V63-Q67 CarbonylContact O-C 3.57Å; V63-Q67 WeakPolarHBondContact O-CA 3.41Å; V63-Q67 PolarHBondContact O-N 2.74Å; Q67-L69 VanDerWaalsContact C-N 3.28Å; Q67-L69 PolarHBondContact O-N 3.35Å; Q67-F70 HydrophobicContact CB-CB 4.01Å; Q67-F70 PolarHBondContact O-N 3.45Å; Q67-F70 VanDerWaalsContact O-N 3.17Å; Q67-Y71 PolarHBondContact O-N 2.96Å | ||
| 68 | P | 84.5 | Confident | 88.9 | Confident | 34 Ų | 34 | 74.9 Ų | 74.9 | 22% | 0.221 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.9 | -31 | -174 | 24.8 | -35.2 | 0 | 0 | 0 | 113.8 | R72 | P68-R72 WeakPolarHBondContact O-CB 3.1Å; P68-R72 PolarHBondContact O-N 2.9Å; P68-R72 VanDerWaalsContact O-N 3.08Å |
| 69 | L | 86.5 | Confident | 88.9 | Confident | 131 Ų | 131 | 76.4 Ų | 76.4 | 69% | 0.686 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -69.8 | -41 | 177.4 | -66.8 | 175.9 | 0 | 0 | 0 | 111.9 | Q67 N73 | Q67-L69 VanDerWaalsContact C-N 3.28Å; Q67-L69 PolarHBondContact O-N 3.35Å; L69-N73 PolarHBondContact O-N 2.91Å; L69-N73 PolarHBondContact O-ND2 3.5Å |
| 70 | F | 88.2 | Confident | 88.8 | Confident | 100 Ų | 100 | 76.1 Ų | 76.1 | 44% | 0.439 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.9 | -48.3 | 174.6 | 173.9 | -98.5 | 0 | 0 | 0 | 110.5 | V63 Q67 R72 N73 V74 | V63-F70 HydrophobicContact CG1-CD1 3.79Å; V63-F70 HydrophobicContact CG1-CE1 4.09Å; Q67-F70 HydrophobicContact CB-CB 4.01Å; Q67-F70 PolarHBondContact O-N 3.45Å; Q67-F70 VanDerWaalsContact O-N 3.17Å; F70-R72 PolarHBondContact O-N 3.4Å; F70-N73 PolarHBondContact O-N 3Å; F70-N73 VanDerWaalsContact O-N 3.08Å; F70-V74 HydrophobicContact CE1-CB 4.32Å; F70-V74 HydrophobicContact CE1-CG1 4.36Å; F70-V74 HydrophobicContact CE1-CG2 4.44Å; F70-V74 HydrophobicContact CZ-CB 4.24Å; F70-V74 HydrophobicContact CZ-CG2 4.05Å; F70-V74 WeakPolarHBondContact O-CB 3.35Å; F70-V74 PolarHBondContact O-N 3.5Å |
| 71 | Y | 87.3 | Confident | 88.8 | Confident | 50 Ų | 50 | 78.9 Ų | 78.9 | 20% | 0.196 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.2 | -32.7 | -179.3 | -169.7 | -85.4 | 0 | 0 | 0 | 112.9 | D60 R61 V63 A64 Q67 F79 H80 | D60-Y71 WeakPolarHBondContact OD1-CE2 3.42Å; D60-Y71 PolarHBondContact OD1-OH 3.34Å; R61-Y71 PolarHBondContact NH2-OH 3.42Å; R61-Y71 VanDerWaalsContact NH2-OH 3.11Å; V63-Y71 HydrophobicContact CG1-CD2 4.2Å; A64-Y71 HydrophobicContact CB-CD1 4.23Å; A64-Y71 HydrophobicContact CB-CD2 3.72Å; A64-Y71 HydrophobicContact CB-CE1 4.32Å; A64-Y71 HydrophobicContact CB-CE2 3.76Å; A64-Y71 HydrophobicContact CB-CG 3.95Å; Q67-Y71 PolarHBondContact O-N 2.96Å; Y71-F79 HydrophobicContact CD2-CE1 4.27Å; Y71-F79 HydrophobicContact CE2-CE1 4.08Å; Y71-H80 AromaticContact CE2-CE1 3.67Å; Y71-H80 AromaticContact CZ-CE1 3.62Å; Y71-H80 PolarHBondContact OH-CE1 3.31Å; Y71-H80 VanDerWaalsContact OH-CE1 3.23Å |
| 72 | R | 86.2 | Confident | 89 | Confident | 216 Ų | 216 | 79.7 Ų | 79.7 | 82% | 0.815 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -74 | -32.3 | 176.2 | -174.1 | 175.6 | 179.5 | 177.6 | 0.4 | 113.4 | P68 F70 | P68-R72 WeakPolarHBondContact O-CB 3.1Å; P68-R72 PolarHBondContact O-N 2.9Å; P68-R72 VanDerWaalsContact O-N 3.08Å; F70-R72 PolarHBondContact O-N 3.4Å |
| 73 | N | 90.4 | Very high | 89.2 | Confident | 136 Ų | 136 | 79.6 Ų | 79.6 | 73% | 0.727 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -93.2 | -18.1 | -174.4 | -68 | -9.7 | 0 | 0 | 0 | 112.9 | L69 F70 | L69-N73 PolarHBondContact O-N 2.91Å; L69-N73 PolarHBondContact O-ND2 3.5Å; F70-N73 PolarHBondContact O-N 3Å; F70-N73 VanDerWaalsContact O-N 3.08Å |
| 74 | V | 89.8 | Confident | 89.2 | Confident | 28 Ų | 28 | 80.9 Ų | 80.9 | 17% | 0.17 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -77.2 | 134.1 | 179.6 | 76.5 | 0 | 0 | 0 | 0 | 110.5 | F70 K78 F79 | F70-V74 HydrophobicContact CE1-CB 4.32Å; F70-V74 HydrophobicContact CE1-CG1 4.36Å; F70-V74 HydrophobicContact CE1-CG2 4.44Å; F70-V74 HydrophobicContact CZ-CB 4.24Å; F70-V74 HydrophobicContact CZ-CG2 4.05Å; F70-V74 WeakPolarHBondContact O-CB 3.35Å; F70-V74 PolarHBondContact O-N 3.5Å; V74-K78 HydrophobicContact CG2-CB 4.02Å; V74-F79 HydrophobicContact CG1-CB 3.93Å; V74-F79 HydrophobicContact CG1-CD1 4.45Å; V74-F79 HydrophobicContact CG1-CG 4.32Å; V74-F79 HydrophobicContact CG2-CB 3.78Å |
| 75 | S | 89.9 | Confident | 89.5 | Confident | 51 Ų | 51 | 87.6 Ų | 87.6 | 36% | 0.357 | 43% | 0.428 | S | S | . | . | trans | -75.7 | 152.1 | 175.8 | 68.2 | 0 | 0 | 0 | 0 | 111.2 | Y77 K78 F79 | S75-Y77 PolarHBondContact O-N 2.86Å; S75-K78 PolarHBondContact O-N 2.96Å; S75-K78 WeakPolarHBondContact OG-CG 3.48Å; S75-F79 PolarHBondContact O-N 3.06Å | ||
| 76 | I | 87.9 | Confident | 89.8 | Confident | 109 Ų | 109 | 91.6 Ų | 91.6 | 56% | 0.559 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -54.6 | -40.6 | 179.7 | -62.2 | 171.6 | 0 | 0 | 0 | 111.5 | K78 F79 H80 V81 | I76-K78 VanDerWaalsContact C-N 3.31Å; I76-K78 PolarHBondContact O-N 3.39Å; I76-F79 PolarHBondContact O-N 2.85Å; I76-H80 HydrophobicContact CG2-CB 4.23Å; I76-H80 PolarHBondContact O-N 3.44Å; I76-V81 HydrophobicContact CG2-CG2 4.37Å; I76-V81 PolarHBondContact O-N 3.15Å; I76-V81 VanDerWaalsContact O-N 3.16Å |
| 77 | Y | 89.3 | Confident | 90.1 | Very high | 185 Ų | 185 | 88.7 Ų | 88.7 | 73% | 0.725 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -69.8 | -22.5 | 179.9 | -61.5 | -76.8 | 0 | 0 | 0 | 114.4 | S75 V81 P82 | S75-Y77 PolarHBondContact O-N 2.86Å; Y77-V81 HydrophobicContact CD1-CG2 4.16Å; Y77-P82 VanDerWaalsContact O-CD 3.26Å; Y77-P82 WeakPolarHBondContact O-CD 3.2Å |
| 78 | K | 91 | Very high | 90.3 | Very high | 168 Ų | 168 | 85.5 Ų | 85.5 | 73% | 0.73 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -90.1 | -19.3 | 180 | -75 | -178.5 | 179.3 | -176.6 | 0 | 113.4 | V74 S75 I76 | V74-K78 HydrophobicContact CG2-CB 4.02Å; S75-K78 PolarHBondContact O-N 2.96Å; S75-K78 WeakPolarHBondContact OG-CG 3.48Å; I76-K78 VanDerWaalsContact C-N 3.31Å; I76-K78 PolarHBondContact O-N 3.39Å |
| 79 | F | 91 | Very high | 90.8 | Very high | 32 Ų | 32 | 86 Ų | 86 | 14% | 0.14 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -125.9 | -61.4 | -174.7 | -176.8 | -113.3 | 0 | 0 | 0 | 113.4 | D60 V63 Y71 V74 S75 I76 P82 L83 | D60-F79 HydrophobicContact CB-CE1 4.5Å; V63-F79 HydrophobicContact CB-CZ 3.89Å; V63-F79 HydrophobicContact CG1-CE2 4.47Å; V63-F79 HydrophobicContact CG1-CZ 4.05Å; V63-F79 HydrophobicContact CG2-CE2 4.2Å; V63-F79 HydrophobicContact CG2-CZ 3.81Å; Y71-F79 HydrophobicContact CD2-CE1 4.27Å; Y71-F79 HydrophobicContact CE2-CE1 4.08Å; V74-F79 HydrophobicContact CG1-CB 3.93Å; V74-F79 HydrophobicContact CG1-CD1 4.45Å; V74-F79 HydrophobicContact CG1-CG 4.32Å; V74-F79 HydrophobicContact CG2-CB 3.78Å; S75-F79 PolarHBondContact O-N 3.06Å; I76-F79 PolarHBondContact O-N 2.85Å; F79-P82 WeakPolarHBondContact O-CD 3.37Å; F79-L83 HydrophobicContact CZ-CD2 4.41Å; F79-L83 VanDerWaalsContact O-CB 3.27Å; F79-L83 WeakPolarHBondContact O-CB 3.45Å; F79-L83 PolarHBondContact O-N 3.11Å; F79-L83 VanDerWaalsContact O-N 3.17Å |
| 80 | H | 90.6 | Very high | 91.1 | Very high | 45 Ų | 45 | 83.1 Ų | 83.1 | 21% | 0.208 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -70.2 | -40.6 | -173.5 | -56.7 | -60.5 | 0 | 0 | 0 | 113.1 | D60 Y71 I76 L83 T84 | D60-H80 IonicContact OD1-CE1 2.9Å; D60-H80 PolarHBondContact OD1-CE1 3.48Å; D60-H80 IonicContact OD1-ND1 3.93Å; D60-H80 PolarHBondContact OD1-ND1 2.89Å; Y71-H80 AromaticContact CE2-CE1 3.67Å; Y71-H80 AromaticContact CZ-CE1 3.62Å; Y71-H80 PolarHBondContact OH-CE1 3.31Å; Y71-H80 VanDerWaalsContact OH-CE1 3.23Å; I76-H80 HydrophobicContact CG2-CB 4.23Å; I76-H80 PolarHBondContact O-N 3.44Å; H80-L83 PolarHBondContact O-N 2.78Å; H80-T84 WeakPolarHBondContact O-CB 3.28Å; H80-T84 PolarHBondContact O-N 3.48Å; H80-T84 PolarHBondContact O-OG1 3.35Å |
| 81 | V | 91.7 | Very high | 91.4 | Very high | 70 Ų | 70 | 78.4 Ų | 78.4 | 42% | 0.424 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.5 | -51.2 | -179.5 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | I76 Y77 L83 T84 F85 | I76-V81 HydrophobicContact CG2-CG2 4.37Å; I76-V81 PolarHBondContact O-N 3.15Å; I76-V81 VanDerWaalsContact O-N 3.16Å; Y77-V81 HydrophobicContact CD1-CG2 4.16Å; V81-L83 VanDerWaalsContact C-N 3.32Å; V81-L83 PolarHBondContact O-N 3.17Å; V81-T84 PolarHBondContact O-N 3.17Å; V81-F85 VanDerWaalsContact O-CB 3.3Å; V81-F85 WeakPolarHBondContact O-CB 3.49Å; V81-F85 PolarHBondContact O-N 3.38Å |
| 82 | P | 94.3 | Very high | 91.8 | Very high | 52 Ų | 52 | 78.9 Ų | 78.9 | 34% | 0.338 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.4 | -40.6 | 175.5 | -26 | 35.5 | 0 | 0 | 0 | 113 | Y77 F79 T84 F85 L86 | Y77-P82 VanDerWaalsContact O-CD 3.26Å; Y77-P82 WeakPolarHBondContact O-CD 3.2Å; F79-P82 WeakPolarHBondContact O-CD 3.37Å; P82-T84 PolarHBondContact O-N 3.48Å; P82-F85 PolarHBondContact O-N 3.25Å; P82-L86 WeakPolarHBondContact O-CB 3.43Å; P82-L86 VanDerWaalsContact O-CG 3.26Å; P82-L86 WeakPolarHBondContact O-CG 3.34Å; P82-L86 PolarHBondContact O-N 3.46Å |
| 83 | L | 93.3 | Very high | 92.2 | Very high | 34 Ų | 34 | 71.2 Ų | 71.2 | 18% | 0.178 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 179.6 | -175.4 | 62.7 | 0 | 0 | 0 | 112.1 | A56 V59 D60 F79 H80 V81 S87 | A56-L83 HydrophobicContact CB-CD2 4.16Å; A56-L83 HydrophobicContact CB-CG 3.86Å; A56-L83 WeakPolarHBondContact O-CD2 3.3Å; V59-L83 HydrophobicContact CB-CD1 4.44Å; V59-L83 HydrophobicContact CB-CD2 4.24Å; V59-L83 HydrophobicContact CG1-CD1 4.22Å; V59-L83 HydrophobicContact CG1-CD2 4.12Å; D60-L83 HydrophobicContact CB-CD2 4.31Å; F79-L83 HydrophobicContact CZ-CD2 4.41Å; F79-L83 VanDerWaalsContact O-CB 3.27Å; F79-L83 WeakPolarHBondContact O-CB 3.45Å; F79-L83 PolarHBondContact O-N 3.11Å; F79-L83 VanDerWaalsContact O-N 3.17Å; H80-L83 PolarHBondContact O-N 2.78Å; V81-L83 VanDerWaalsContact C-N 3.32Å; V81-L83 PolarHBondContact O-N 3.17Å; L83-S87 WeakPolarHBondContact O-CB 3.26Å; L83-S87 PolarHBondContact O-N 3.15Å; L83-S87 VanDerWaalsContact O-N 3.07Å |
| 84 | T | 92.3 | Very high | 92.2 | Very high | 53 Ų | 53 | 65.7 Ų | 65.7 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 176.2 | -54.2 | 0 | 0 | 0 | 0 | 110.8 | A3 H80 V81 P82 S87 T88 | A3-T84 HydrophobicContact CB-CG2 3.75Å; H80-T84 WeakPolarHBondContact O-CB 3.28Å; H80-T84 PolarHBondContact O-N 3.48Å; H80-T84 PolarHBondContact O-OG1 3.35Å; V81-T84 PolarHBondContact O-N 3.17Å; P82-T84 PolarHBondContact O-N 3.48Å; T84-S87 WeakPolarHBondContact O-CB 3.33Å; T84-S87 PolarHBondContact O-N 3.14Å; T84-T88 PolarHBondContact O-N 3.07Å; T84-T88 PolarHBondContact O-OG1 2.82Å |
| 85 | F | 93.9 | Very high | 92.4 | Very high | 146 Ų | 146 | 64.9 Ų | 64.9 | 64% | 0.64 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.5 | -46.4 | 176.9 | 179.9 | -98.8 | 0 | 0 | 0 | 111.8 | V81 P82 S87 T88 S89 | V81-F85 VanDerWaalsContact O-CB 3.3Å; V81-F85 WeakPolarHBondContact O-CB 3.49Å; V81-F85 PolarHBondContact O-N 3.38Å; P82-F85 PolarHBondContact O-N 3.25Å; F85-S87 PolarHBondContact O-N 2.88Å; F85-T88 PolarHBondContact O-N 3.01Å; F85-S89 WeakPolarHBondContact O-CB 3.21Å; F85-S89 PolarHBondContact O-N 3.35Å; F85-S89 PolarHBondContact O-OG 3.01Å; F85-S89 VanDerWaalsContact O-OG 3.11Å |
| 86 | L | 93.4 | Very high | 92.6 | Very high | 110 Ų | 110 | 68 Ų | 68 | 58% | 0.576 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.5 | -47.3 | 175.8 | -74.1 | 169.5 | 0 | 0 | 0 | 111.3 | P82 T88 S89 Y90 | P82-L86 WeakPolarHBondContact O-CB 3.43Å; P82-L86 VanDerWaalsContact O-CG 3.26Å; P82-L86 WeakPolarHBondContact O-CG 3.34Å; P82-L86 PolarHBondContact O-N 3.46Å; L86-T88 PolarHBondContact O-N 3.3Å; L86-S89 WeakPolarHBondContact CA-OG 3.23Å; L86-S89 PolarHBondContact O-N 3.37Å; L86-S89 PolarHBondContact O-OG 3.49Å; L86-Y90 PolarHBondContact O-N 3.5Å; L86-Y90 VanDerWaalsContact O-N 3.17Å |
| 87 | S | 92.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 65.1 Ų | 65.1 | 3% | 0.028 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -54.8 | -52.7 | 175.5 | 164.1 | 0 | 0 | 0 | 0 | 112.1 | M52 S53 L83 T84 F85 S91 | M52-S87 WeakPolarHBondContact CB-OG 3.32Å; M52-S87 PolarHBondContact O-OG 3.27Å; S53-S87 PolarHBondContact N-OG 3.06Å; L83-S87 WeakPolarHBondContact O-CB 3.26Å; L83-S87 PolarHBondContact O-N 3.15Å; L83-S87 VanDerWaalsContact O-N 3.07Å; T84-S87 WeakPolarHBondContact O-CB 3.33Å; T84-S87 PolarHBondContact O-N 3.14Å; F85-S87 PolarHBondContact O-N 2.88Å; S87-S91 PolarHBondContact O-N 3.42Å; S87-S91 PolarHBondContact O-OG 3.43Å |
| 88 | T | 93.2 | Very high | 92.9 | Very high | 41 Ų | 41 | 56.4 Ų | 56.4 | 25% | 0.252 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -71.2 | -37.8 | -177.1 | -58.8 | 0 | 0 | 0 | 0 | 112 | F45 N49 T84 F85 L86 Y90 S91 V92 | F45-T88 HydrophobicContact CE2-CG2 4.07Å; F45-T88 HydrophobicContact CZ-CG2 4.02Å; N49-T88 PolarHBondContact OD1-OG1 2.96Å; T84-T88 PolarHBondContact O-N 3.07Å; T84-T88 PolarHBondContact O-OG1 2.82Å; F85-T88 PolarHBondContact O-N 3.01Å; L86-T88 PolarHBondContact O-N 3.3Å; T88-Y90 VanDerWaalsContact C-N 3.31Å; T88-Y90 PolarHBondContact O-N 3.47Å; T88-S91 PolarHBondContact O-N 2.78Å; T88-S91 VanDerWaalsContact O-N 3.13Å; T88-V92 HydrophobicContact CG2-CG2 4.25Å; T88-V92 WeakPolarHBondContact O-CG2 3.3Å; T88-V92 PolarHBondContact O-N 3.47Å |
| 89 | S | 94.6 | Very high | 92.8 | Very high | 46 Ų | 46 | 49.8 Ų | 49.8 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.6 | -37.8 | 178.9 | 69.1 | 0 | 0 | 0 | 0 | 112.4 | F85 L86 V92 A93 | F85-S89 WeakPolarHBondContact O-CB 3.21Å; F85-S89 PolarHBondContact O-N 3.35Å; F85-S89 PolarHBondContact O-OG 3.01Å; F85-S89 VanDerWaalsContact O-OG 3.11Å; L86-S89 WeakPolarHBondContact CA-OG 3.23Å; L86-S89 PolarHBondContact O-N 3.37Å; L86-S89 PolarHBondContact O-OG 3.49Å; S89-V92 PolarHBondContact O-N 2.88Å; S89-A93 WeakPolarHBondContact O-CB 3.48Å; S89-A93 PolarHBondContact O-N 2.89Å |
| 90 | Y | 93 | Very high | 92.9 | Very high | 70 Ų | 70 | 53.5 Ų | 53.5 | 28% | 0.275 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 173 | 174.2 | -93.2 | 0 | 0 | 0 | 111.6 | M52 L86 T88 A93 L94 N131 | M52-Y90 HydrophobicContact CG-CD1 3.47Å; M52-Y90 VanDerWaalsContact CG-CD1 3.47Å; M52-Y90 HydrophobicContact CG-CE1 3.98Å; M52-Y90 HydrophobicContact CG-CG 4.32Å; M52-Y90 HydrophobicContact SD-CD1 3.81Å; M52-Y90 HydrophobicContact SD-CE1 3.96Å; M52-Y90 HydrophobicContact SD-CG 4.43Å; L86-Y90 PolarHBondContact O-N 3.5Å; L86-Y90 VanDerWaalsContact O-N 3.17Å; T88-Y90 VanDerWaalsContact C-N 3.31Å; T88-Y90 PolarHBondContact O-N 3.47Å; Y90-A93 PolarHBondContact O-N 3.29Å; Y90-L94 HydrophobicContact CD1-CD1 3.99Å; Y90-L94 HydrophobicContact CE1-CD1 3.37Å; Y90-L94 HydrophobicContact CE1-CG 4.34Å; Y90-L94 HydrophobicContact CE2-CD1 4.25Å; Y90-L94 PolarHBondContact O-N 2.97Å; Y90-L94 VanDerWaalsContact O-N 3.08Å; Y90-N131 PolarHBondContact OH-OD1 3Å |
| 91 | S | 94.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 179.1 | -53.9 | 0 | 0 | 0 | 0 | 112.3 | N49 S87 T88 S95 | N49-S91 WeakPolarHBondContact CA-OG 3.32Å; N49-S91 WeakPolarHBondContact CB-OG 3.4Å; N49-S91 PolarHBondContact N-OG 2.81Å; N49-S91 VanDerWaalsContact N-OG 3.14Å; S87-S91 PolarHBondContact O-N 3.42Å; S87-S91 PolarHBondContact O-OG 3.43Å; T88-S91 PolarHBondContact O-N 2.78Å; T88-S91 VanDerWaalsContact O-N 3.13Å; S91-S95 WeakPolarHBondContact O-CB 3.27Å; S91-S95 PolarHBondContact O-N 2.89Å; S91-S95 VanDerWaalsContact O-N 3.08Å; S91-S95 PolarHBondContact O-OG 3.39Å |
| 92 | V | 94.8 | Very high | 92.6 | Very high | 60 Ų | 60 | 51.5 Ų | 51.5 | 36% | 0.364 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 173.8 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | F45 T88 S89 L94 S95 M96 | F45-V92 HydrophobicContact CD2-CG2 4.11Å; F45-V92 HydrophobicContact CE2-CG2 3.6Å; T88-V92 HydrophobicContact CG2-CG2 4.25Å; T88-V92 WeakPolarHBondContact O-CG2 3.3Å; T88-V92 PolarHBondContact O-N 3.47Å; S89-V92 PolarHBondContact O-N 2.88Å; V92-L94 PolarHBondContact O-N 3.16Å; V92-S95 PolarHBondContact O-N 3.5Å; V92-M96 HydrophobicContact CG1-CG 4.13Å; V92-M96 WeakPolarHBondContact O-CB 3.36Å; V92-M96 WeakPolarHBondContact O-CG 3.49Å; V92-M96 PolarHBondContact O-N 3.47Å |
| 93 | A | 94.7 | Very high | 92.4 | Very high | 55 Ų | 55 | 57.3 Ų | 57.3 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.7 | -46.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S89 Y90 S95 M96 V97 | S89-A93 WeakPolarHBondContact O-CB 3.48Å; S89-A93 PolarHBondContact O-N 2.89Å; Y90-A93 PolarHBondContact O-N 3.29Å; A93-S95 PolarHBondContact O-N 3.48Å; A93-M96 PolarHBondContact O-N 3.27Å; A93-V97 WeakPolarHBondContact O-CG2 3.41Å; A93-V97 PolarHBondContact O-N 2.92Å |
| 94 | L | 91.8 | Very high | 92 | Very high | 20 Ų | 20 | 61.5 Ų | 61.5 | 11% | 0.105 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63 | -41.1 | 177.1 | -72.1 | 179.6 | 0 | 0 | 0 | 112.9 | Y90 V92 V97 I98 W118 L127 | Y90-L94 HydrophobicContact CD1-CD1 3.99Å; Y90-L94 HydrophobicContact CE1-CD1 3.37Å; Y90-L94 HydrophobicContact CE1-CG 4.34Å; Y90-L94 HydrophobicContact CE2-CD1 4.25Å; Y90-L94 PolarHBondContact O-N 2.97Å; Y90-L94 VanDerWaalsContact O-N 3.08Å; V92-L94 PolarHBondContact O-N 3.16Å; L94-V97 PolarHBondContact O-N 3.03Å; L94-I98 WeakPolarHBondContact O-CG1 3.34Å; L94-I98 PolarHBondContact O-N 3.3Å; L94-I98 VanDerWaalsContact O-N 3.1Å; L94-W118 HydrophobicContact CD2-CH2 4.29Å; L94-W118 HydrophobicContact CD2-CZ2 4.47Å; L94-L127 HydrophobicContact CD1-CD1 3.93Å; L94-L127 HydrophobicContact CD1-CD2 4.38Å; L94-L127 HydrophobicContact CD2-CD1 3.84Å; L94-L127 HydrophobicContact CD2-CD2 3.97Å |
| 95 | S | 93.1 | Very high | 91.7 | Very high | 12 Ų | 12 | 62.3 Ų | 62.3 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.8 | -37.5 | 177.4 | -72.5 | 0 | 0 | 0 | 0 | 112.8 | A41 F45 S91 V92 A93 V97 I98 A99 | A41-S95 WeakPolarHBondContact CB-O 3.36Å; A41-S95 VanDerWaalsContact O-CB 3.31Å; A41-S95 WeakPolarHBondContact O-CB 3.5Å; A41-S95 PolarHBondContact O-OG 3.45Å; F45-S95 WeakPolarHBondContact CA-OG 3.19Å; F45-S95 WeakPolarHBondContact CB-OG 3.33Å; F45-S95 PolarHBondContact N-OG 3.4Å; S91-S95 WeakPolarHBondContact O-CB 3.27Å; S91-S95 PolarHBondContact O-N 2.89Å; S91-S95 VanDerWaalsContact O-N 3.08Å; S91-S95 PolarHBondContact O-OG 3.39Å; V92-S95 PolarHBondContact O-N 3.5Å; A93-S95 PolarHBondContact O-N 3.48Å; S95-V97 VanDerWaalsContact C-N 3.35Å; S95-I98 PolarHBondContact O-N 3.04Å; S95-A99 PolarHBondContact O-N 3.11Å |
| 96 | M | 93.1 | Very high | 91.3 | Very high | 115 Ų | 115 | 58.8 Ų | 58.8 | 57% | 0.567 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.8 | -41 | 173.3 | -74.1 | -63 | -165.4 | 0 | 0 | 111.4 | V92 A93 I98 A99 V100 | V92-M96 HydrophobicContact CG1-CG 4.13Å; V92-M96 WeakPolarHBondContact O-CB 3.36Å; V92-M96 WeakPolarHBondContact O-CG 3.49Å; V92-M96 PolarHBondContact O-N 3.47Å; A93-M96 PolarHBondContact O-N 3.27Å; M96-I98 VanDerWaalsContact C-N 3.33Å; M96-I98 PolarHBondContact O-N 3.26Å; M96-A99 PolarHBondContact O-N 3.4Å; M96-V100 WeakPolarHBondContact O-CB 3.3Å; M96-V100 VanDerWaalsContact O-CG2 3.28Å; M96-V100 WeakPolarHBondContact O-CG2 3.49Å; M96-V100 PolarHBondContact O-N 3.43Å |
| 97 | V | 92.3 | Very high | 90.9 | Very high | 50 Ų | 50 | 53.7 Ų | 53.7 | 30% | 0.303 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 174.7 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | A93 L94 S95 A99 V100 Q101 W118 | A93-V97 WeakPolarHBondContact O-CG2 3.41Å; A93-V97 PolarHBondContact O-N 2.92Å; L94-V97 PolarHBondContact O-N 3.03Å; S95-V97 VanDerWaalsContact C-N 3.35Å; V97-A99 PolarHBondContact O-N 3.14Å; V97-V100 PolarHBondContact O-N 2.92Å; V97-Q101 HydrophobicContact CG1-CG 4.16Å; V97-Q101 VanDerWaalsContact O-CB 3.3Å; V97-Q101 WeakPolarHBondContact O-CB 3.33Å; V97-Q101 WeakPolarHBondContact O-CG 3.39Å; V97-Q101 PolarHBondContact O-N 2.9Å; V97-W118 HydrophobicContact CB-CH2 4.44Å; V97-W118 HydrophobicContact CG1-CE3 4.32Å; V97-W118 HydrophobicContact CG1-CH2 3.67Å; V97-W118 HydrophobicContact CG1-CZ2 4.12Å; V97-W118 HydrophobicContact CG1-CZ3 3.78Å |
| 98 | I | 91.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 176.4 | -71.3 | 165.5 | 0 | 0 | 0 | 111.4 | A41 S44 L94 S95 M96 G102 P114 C117 W118 | A41-I98 HydrophobicContact CB-CB 4.41Å; A41-I98 HydrophobicContact CB-CG2 4.04Å; S44-I98 VanDerWaalsContact CB-CD1 3.49Å; S44-I98 WeakPolarHBondContact OG-CD1 3.45Å; L94-I98 WeakPolarHBondContact O-CG1 3.34Å; L94-I98 PolarHBondContact O-N 3.3Å; L94-I98 VanDerWaalsContact O-N 3.1Å; S95-I98 PolarHBondContact O-N 3.04Å; M96-I98 VanDerWaalsContact C-N 3.33Å; M96-I98 PolarHBondContact O-N 3.26Å; I98-G102 WeakPolarHBondContact O-CA 3.48Å; I98-G102 PolarHBondContact O-N 2.91Å; I98-P114 HydrophobicContact CD1-CB 3.99Å; I98-P114 HydrophobicContact CG2-CB 4.46Å; I98-C117 HydrophobicContact CG2-CB 3.75Å; I98-W118 HydrophobicContact CG1-CZ2 4.18Å |
| 99 | A | 90.5 | Very high | 89.4 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 25% | 0.248 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.9 | -42.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A41 S95 M96 V97 Y103 | A41-A99 HydrophobicContact CB-CB 4.01Å; S95-A99 PolarHBondContact O-N 3.11Å; M96-A99 PolarHBondContact O-N 3.4Å; V97-A99 PolarHBondContact O-N 3.14Å; A99-Y103 PolarHBondContact O-N 3.31Å |
| 100 | V | 91.5 | Very high | 88.5 | Confident | 110 Ų | 110 | 60.2 Ų | 60.2 | 67% | 0.667 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -73.6 | -47.9 | -177.8 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | M96 V97 G102 Y103 | M96-V100 WeakPolarHBondContact O-CB 3.3Å; M96-V100 VanDerWaalsContact O-CG2 3.28Å; M96-V100 WeakPolarHBondContact O-CG2 3.49Å; M96-V100 PolarHBondContact O-N 3.43Å; V97-V100 PolarHBondContact O-N 2.92Å; V100-G102 VanDerWaalsContact C-N 3.29Å; V100-G102 PolarHBondContact O-N 3.23Å; V100-Y103 WeakPolarHBondContact O-CB 3.16Å; V100-Y103 PolarHBondContact O-N 2.81Å |
| 101 | Q | 90 | Very high | 87.7 | Confident | 71 Ų | 71 | 61.7 Ų | 61.7 | 33% | 0.332 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.8 | -31 | 179.2 | -67.8 | -172.7 | -1 | 0 | 0 | 112.4 | V97 C117 | V97-Q101 HydrophobicContact CG1-CG 4.16Å; V97-Q101 VanDerWaalsContact O-CB 3.3Å; V97-Q101 WeakPolarHBondContact O-CB 3.33Å; V97-Q101 WeakPolarHBondContact O-CG 3.39Å; V97-Q101 PolarHBondContact O-N 2.9Å; Q101-C117 CarbonylContact C-O 3.58Å; Q101-C117 WeakPolarHBondContact CB-O 3.29Å |
| 102 | G | 87.4 | Confident | 87 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 4.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | C37 I98 V100 Q104 K105 C117 | C37-G102 WeakPolarHBondContact CB-O 3.33Å; C37-G102 WeakPolarHBondContact SG-CA 3.03Å; I98-G102 WeakPolarHBondContact O-CA 3.48Å; I98-G102 PolarHBondContact O-N 2.91Å; V100-G102 VanDerWaalsContact C-N 3.29Å; V100-G102 PolarHBondContact O-N 3.23Å; G102-Q104 PolarHBondContact O-N 3.45Å; G102-K105 PolarHBondContact O-N 3.11Å; G102-K105 VanDerWaalsContact O-N 3.15Å; G102-C117 PolarHBondContact N-O 2.97Å |
| 103 | Y | 89.7 | Confident | 86.5 | Confident | 174 Ų | 174 | 60.1 Ų | 60.1 | 68% | 0.682 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 121.1 | -174.5 | -174.6 | -100.3 | 0 | 0 | 0 | 111.3 | A99 V100 K105 | A99-Y103 PolarHBondContact O-N 3.31Å; V100-Y103 WeakPolarHBondContact O-CB 3.16Å; V100-Y103 PolarHBondContact O-N 2.81Å; Y103-K105 PolarHBondContact O-N 3.39Å |
| 104 | Q | 85.2 | Confident | 85.9 | Confident | 123 Ų | 123 | 57.7 Ų | 57.7 | 58% | 0.575 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 22.1 | -177.5 | -65 | -175 | -11.6 | 0 | 0 | 115.5 | G102 | G102-Q104 PolarHBondContact O-N 3.45Š|
| 105 | K | 86.1 | Confident | 85.6 | Confident | 69 Ų | 69 | 56.9 Ų | 56.9 | 30% | 0.3 | 29% | 0.288 | S | S | . | . | trans | -70.5 | 127.2 | 175.8 | -166.4 | 172.8 | -175.8 | 176.3 | 0 | 109.9 | G102 Y103 I107 L116 W118 | G102-K105 PolarHBondContact O-N 3.11Å; G102-K105 VanDerWaalsContact O-N 3.15Å; Y103-K105 PolarHBondContact O-N 3.39Å; K105-I107 HydrophobicContact CG-CG1 4.39Å; K105-I107 PolarHBondContact O-N 3.44Å; K105-I107 VanDerWaalsContact O-N 3.09Å; K105-L116 WeakPolarHBondContact CD-O 3.45Å; K105-L116 VanDerWaalsContact CE-O 3.31Å; K105-L116 WeakPolarHBondContact CE-O 3.14Å; K105-L116 PolarHBondContact NZ-O 2.86Å; K105-W118 PolarHBondContact NZ-O 2.97Å | ||
| 106 | P | 85.4 | Confident | 85.2 | Confident | 72 Ų | 72 | 58.2 Ų | 58.2 | 47% | 0.468 | 29% | 0.294 | S | S | . | . | trans | -73.1 | 105 | 177.5 | 28.6 | -32.6 | 0 | 0 | 0 | 109.5 | H32 Y34 | H32-P106 HydrophobicContact CB-CB 4.32Å; Y34-P106 HydrophobicContact CE1-CB 3.95Å | ||
| 107 | I | 85.2 | Confident | 85.1 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132.6 | 177.8 | -66.8 | 174.1 | 0 | 0 | 0 | 108.8 | H32 D33 C36 C37 K105 F109 L116 | H32-I107 CarbonylContact C-O 3.4Å; H32-I107 WeakPolarHBondContact CA-O 3.49Å; D33-I107 PolarHBondContact N-O 3.45Å; C36-I107 HydrophobicContact CB-CB 4.17Å; C36-I107 HydrophobicContact CB-CD1 4.23Å; C36-I107 HydrophobicContact CB-CG2 4.44Å; C37-I107 WeakPolarHBondContact SG-CD1 3.11Å; K105-I107 HydrophobicContact CG-CG1 4.39Å; K105-I107 PolarHBondContact O-N 3.44Å; K105-I107 VanDerWaalsContact O-N 3.09Å; I107-F109 PolarHBondContact O-N 3.31Å; I107-L116 HydrophobicContact CD1-CB 3.86Å; I107-L116 HydrophobicContact CG1-CB 4.28Å; I107-L116 HydrophobicContact CG2-CB 4.44Å; I107-L116 HydrophobicContact CG2-CD1 3.68Å |
| 108 | P | 79.3 | Confident | 84.8 | Confident | 48 Ų | 48 | 52 Ų | 52 | 31% | 0.312 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 130.2 | 172.8 | -24 | 33.7 | 0 | 0 | 0 | 111.1 | N110 R111 C112 | P108-N110 VanDerWaalsContact C-N 3.25Å; P108-N110 WeakPolarHBondContact CB-OD1 3.47Å; P108-N110 PolarHBondContact O-N 3.28Å; P108-R111 HydrophobicContact CB-CB 4.42Å; P108-R111 CarbonylContact O-C 3.59Å; P108-R111 PolarHBondContact O-N 2.88Å; P108-C112 PolarHBondContact O-N 3.13Å |
| 109 | F | 74.3 | Confident | 84.6 | Confident | 101 Ų | 101 | 57.7 Ų | 57.7 | 44% | 0.443 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -54.6 | -42 | -174.7 | -178.1 | -93.6 | 0 | 0 | 0 | 112.3 | Q30 D33 I107 R111 C112 | Q30-F109 WeakPolarHBondContact O-CB 3.08Å; D33-F109 HydrophobicContact CB-CD2 4.13Å; I107-F109 PolarHBondContact O-N 3.31Å; F109-R111 PolarHBondContact O-N 3.01Å; F109-C112 PolarHBondContact O-N 2.89Å |
| 110 | N | 74.8 | Confident | 84.5 | Confident | 79 Ų | 79 | 58.8 Ų | 58.8 | 42% | 0.422 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -68 | -12.8 | 177.9 | 63.1 | -17.3 | 0 | 0 | 0 | 115.2 | P108 E206 | P108-N110 VanDerWaalsContact C-N 3.25Å; P108-N110 WeakPolarHBondContact CB-OD1 3.47Å; P108-N110 PolarHBondContact O-N 3.28Å; N110-E206 PolarHBondContact ND2-OE1 3.43Å |
| 111 | R | 77.4 | Confident | 84.4 | Confident | 102 Ų | 102 | 60.4 Ų | 60.4 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -120.2 | 20 | -178.8 | -62.3 | -173.2 | -175.2 | -171.9 | 1.4 | 112.6 | P108 F109 G113 L116 E206 Y209 | P108-R111 HydrophobicContact CB-CB 4.42Å; P108-R111 CarbonylContact O-C 3.59Å; P108-R111 PolarHBondContact O-N 2.88Å; F109-R111 PolarHBondContact O-N 3.01Å; R111-G113 PolarHBondContact O-N 3.37Å; R111-L116 HydrophobicContact CB-CD1 4Å; R111-L116 WeakPolarHBondContact O-CD1 3.38Å; R111-E206 IonicContact NH2-OE2 2.76Å; R111-Y209 HydrophobicContact CB-CE1 4.07Å; R111-Y209 HydrophobicContact CG-CD1 4.28Å; R111-Y209 HydrophobicContact CG-CE1 3.92Å; R111-Y209 PolarHBondContact O-OH 3.46Å |
| 112 | C | 80.3 | Confident | 84.4 | Confident | 27 Ų | 27 | 64.1 Ų | 64.1 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | trans | -62.8 | 105.3 | -177.2 | 178.4 | 0 | 0 | 0 | 0 | 111.7 | C36 P108 F109 Y213 | C36-C112 WeakPolarHBondContact CA-SG 3.27Å; C36-C112 HydrophobicContact CB-CB 3.97Å; C36-C112 WeakPolarHBondContact CB-SG 3.43Å; C36-C112 WeakPolarHBondContact SG-CA 3.34Å; C36-C112 WeakPolarHBondContact SG-CB 3.33Å; C36-C112 CovalentContact SG-SG 2.03Å; C36-C112 PolarHBondContact SG-SG 3.03Å; P108-C112 PolarHBondContact O-N 3.13Å; F109-C112 PolarHBondContact O-N 2.89Å; C112-Y213 PolarHBondContact O-OH 2.04Å | ||
| 113 | G | 82.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -149.4 | 155.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R111 E115 L116 Y213 | R111-G113 PolarHBondContact O-N 3.37Å; G113-E115 PolarHBondContact O-N 3.33Å; G113-E115 VanDerWaalsContact O-N 3.1Å; G113-L116 PolarHBondContact O-N 2.87Å; G113-L116 VanDerWaalsContact O-N 3.16Å; G113-Y213 WeakPolarHBondContact CA-OH 3.49Å | ||
| 114 | P | 83.8 | Confident | 84.5 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -21 | -170.5 | 0.5 | 3.9 | 0 | 0 | 0 | 113.7 | I98 C117 R197 | I98-P114 HydrophobicContact CD1-CB 3.99Å; I98-P114 HydrophobicContact CG2-CB 4.46Å; P114-C117 WeakPolarHBondContact O-CB 3.26Å; P114-R197 VanDerWaalsContact CG-NH2 3.3Å |
| 115 | E | 83.9 | Confident | 84.8 | Confident | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.014 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -39.4 | 175.3 | 51.3 | -90.2 | -166.2 | 0 | 0 | 113.5 | G113 C117 W118 V124 R197 L201 Y209 | G113-E115 PolarHBondContact O-N 3.33Å; G113-E115 VanDerWaalsContact O-N 3.1Å; E115-C117 PolarHBondContact O-N 2.73Å; E115-W118 PolarHBondContact O-N 3.03Å; E115-W118 VanDerWaalsContact O-N 3.15Å; E115-V124 HydrophobicContact CB-CG1 3.86Å; E115-V124 HydrophobicContact CB-CG2 4.37Å; E115-R197 IonicContact OE2-CZ 2.92Å; E115-R197 IonicContact OE2-NE 3.39Å; E115-R197 PolarHBondContact OE2-NE 3.19Å; E115-R197 IonicContact OE2-NH2 2.95Å; E115-R197 PolarHBondContact OE2-NH2 2.78Å; E115-L201 HydrophobicContact CB-CD1 4.43Å; E115-L201 HydrophobicContact CB-CD2 3.99Å; E115-L201 HydrophobicContact CG-CD2 3.5Å; E115-Y209 PolarHBondContact OE1-OH 2.94Å |
| 116 | L | 86.2 | Confident | 85.1 | Confident | 40 Ų | 40 | 54.7 Ų | 54.7 | 21% | 0.209 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -16 | -176.1 | -66.4 | 178.4 | 0 | 0 | 0 | 111.2 | K105 I107 R111 G113 W118 W121 | K105-L116 WeakPolarHBondContact CD-O 3.45Å; K105-L116 VanDerWaalsContact CE-O 3.31Å; K105-L116 WeakPolarHBondContact CE-O 3.14Å; K105-L116 PolarHBondContact NZ-O 2.86Å; I107-L116 HydrophobicContact CD1-CB 3.86Å; I107-L116 HydrophobicContact CG1-CB 4.28Å; I107-L116 HydrophobicContact CG2-CB 4.44Å; I107-L116 HydrophobicContact CG2-CD1 3.68Å; R111-L116 HydrophobicContact CB-CD1 4Å; R111-L116 WeakPolarHBondContact O-CD1 3.38Å; G113-L116 PolarHBondContact O-N 2.87Å; G113-L116 VanDerWaalsContact O-N 3.16Å; L116-W118 VanDerWaalsContact C-N 3.31Å; L116-W121 HydrophobicContact CD2-CH2 3.89Å; L116-W121 HydrophobicContact CD2-CZ2 4.19Å |
| 117 | C | 89.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -18.3 | 174.7 | -56.8 | 0 | 0 | 0 | 0 | 113.1 | C37 I98 Q101 G102 P114 E115 | C37-C117 WeakPolarHBondContact CA-SG 3.34Å; C37-C117 HydrophobicContact CB-CB 3.84Å; C37-C117 WeakPolarHBondContact CB-SG 3.45Å; C37-C117 WeakPolarHBondContact SG-CA 3.36Å; C37-C117 WeakPolarHBondContact SG-CB 3.11Å; C37-C117 CovalentContact SG-SG 2.04Å; C37-C117 PolarHBondContact SG-SG 3.17Å; I98-C117 HydrophobicContact CG2-CB 3.75Å; Q101-C117 CarbonylContact C-O 3.58Å; Q101-C117 WeakPolarHBondContact CB-O 3.29Å; G102-C117 PolarHBondContact N-O 2.97Å; P114-C117 WeakPolarHBondContact O-CB 3.26Å; E115-C117 PolarHBondContact O-N 2.73Å |
| 118 | W | 87.7 | Confident | 85.6 | Confident | 35 Ų | 35 | 52.2 Ų | 52.2 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -78.4 | 149.2 | 173.8 | -68.4 | 75.9 | 0 | 0 | 0 | 110.4 | L94 V97 I98 K105 E115 L116 A123 V124 L127 | L94-W118 HydrophobicContact CD2-CH2 4.29Å; L94-W118 HydrophobicContact CD2-CZ2 4.47Å; V97-W118 HydrophobicContact CB-CH2 4.44Å; V97-W118 HydrophobicContact CG1-CE3 4.32Å; V97-W118 HydrophobicContact CG1-CH2 3.67Å; V97-W118 HydrophobicContact CG1-CZ2 4.12Å; V97-W118 HydrophobicContact CG1-CZ3 3.78Å; I98-W118 HydrophobicContact CG1-CZ2 4.18Å; K105-W118 PolarHBondContact NZ-O 2.97Å; E115-W118 PolarHBondContact O-N 3.03Å; E115-W118 VanDerWaalsContact O-N 3.15Å; L116-W118 VanDerWaalsContact C-N 3.31Å; W118-A123 HydrophobicContact CE3-CB 3.87Å; W118-A123 HydrophobicContact CZ3-CB 4.2Å; W118-V124 HydrophobicContact CB-CG2 3.48Å; W118-V124 VanDerWaalsContact CB-CG2 3.48Å; W118-V124 HydrophobicContact CD2-CG2 4.29Å; W118-V124 HydrophobicContact CG-CG2 3.53Å; W118-L127 HydrophobicContact CH2-CD2 3.97Å; W118-L127 HydrophobicContact CZ2-CD2 3.52Å |
| 119 | N | 86.3 | Confident | 86.2 | Confident | 119 Ų | 119 | 54.6 Ų | 54.6 | 64% | 0.636 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -83.2 | -13.8 | 174.7 | -72.2 | -17.8 | 0 | 0 | 0 | 113.2 | ||
| 120 | S | 89.1 | Confident | 87.1 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 38% | 0.378 | 27% | 0.265 | S | S | . | . | trans | -133.8 | 122.3 | -176.2 | 176.2 | 0 | 0 | 0 | 0 | 111.8 | F122 A123 V124 | S120-F122 VanDerWaalsContact C-N 3.27Å; S120-F122 PolarHBondContact O-N 2.87Å; S120-F122 PolarHBondContact OG-N 3.46Å; S120-A123 WeakPolarHBondContact O-CB 3.28Å; S120-A123 PolarHBondContact O-N 3.41Å; S120-A123 PolarHBondContact OG-N 2.76Å; S120-V124 PolarHBondContact O-N 3.14Å | ||
| 121 | W | 87.6 | Confident | 87.9 | Confident | 144 Ų | 144 | 50.4 Ų | 50.4 | 55% | 0.545 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.4 | -38.4 | 172.4 | -71.7 | 107.1 | 0 | 0 | 0 | 112.3 | L116 A123 V124 H125 L201 | L116-W121 HydrophobicContact CD2-CH2 3.89Å; L116-W121 HydrophobicContact CD2-CZ2 4.19Å; W121-A123 VanDerWaalsContact C-N 3.3Å; W121-A123 PolarHBondContact O-N 2.98Å; W121-V124 PolarHBondContact O-N 3.28Å; W121-H125 PolarHBondContact O-CD2 3.08Å; W121-H125 VanDerWaalsContact O-CD2 3.26Å; W121-H125 PolarHBondContact O-N 3.22Å; W121-L201 HydrophobicContact CZ3-CD2 4.19Å |
| 122 | F | 91.3 | Very high | 88.7 | Confident | 149 Ų | 149 | 46.6 Ų | 46.6 | 65% | 0.654 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -59.5 | -42.2 | 176.8 | 178.6 | -99.3 | 0 | 0 | 0 | 111.5 | S120 V124 H125 L126 | S120-F122 VanDerWaalsContact C-N 3.27Å; S120-F122 PolarHBondContact O-N 2.87Å; S120-F122 PolarHBondContact OG-N 3.46Å; F122-V124 PolarHBondContact O-N 3.08Å; F122-H125 PolarHBondContact O-N 3.34Å; F122-L126 HydrophobicContact CE1-CD2 4.17Å; F122-L126 VanDerWaalsContact O-CB 3.31Å; F122-L126 WeakPolarHBondContact O-CB 3.28Å; F122-L126 PolarHBondContact O-N 3.47Å |
| 123 | A | 89.6 | Confident | 89.3 | Confident | 28 Ų | 28 | 49.5 Ų | 49.5 | 23% | 0.231 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.3 | -40.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W118 S120 W121 L126 L127 | W118-A123 HydrophobicContact CE3-CB 3.87Å; W118-A123 HydrophobicContact CZ3-CB 4.2Å; S120-A123 WeakPolarHBondContact O-CB 3.28Å; S120-A123 PolarHBondContact O-N 3.41Å; S120-A123 PolarHBondContact OG-N 2.76Å; W121-A123 VanDerWaalsContact C-N 3.3Å; W121-A123 PolarHBondContact O-N 2.98Å; A123-L126 PolarHBondContact O-N 3.36Å; A123-L127 VanDerWaalsContact O-CB 3.29Å; A123-L127 WeakPolarHBondContact O-CB 3.34Å; A123-L127 PolarHBondContact O-N 3.5Å |
| 124 | V | 89.3 | Confident | 89.9 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.1 | -50.4 | 176.2 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | E115 W118 S120 W121 F122 L127 Q128 L201 | E115-V124 HydrophobicContact CB-CG1 3.86Å; E115-V124 HydrophobicContact CB-CG2 4.37Å; W118-V124 HydrophobicContact CB-CG2 3.48Å; W118-V124 VanDerWaalsContact CB-CG2 3.48Å; W118-V124 HydrophobicContact CD2-CG2 4.29Å; W118-V124 HydrophobicContact CG-CG2 3.53Å; S120-V124 PolarHBondContact O-N 3.14Å; W121-V124 PolarHBondContact O-N 3.28Å; F122-V124 PolarHBondContact O-N 3.08Å; V124-L127 PolarHBondContact O-N 2.79Å; V124-Q128 WeakPolarHBondContact O-CG 3.24Å; V124-Q128 PolarHBondContact O-N 3.04Å; V124-L201 HydrophobicContact CG1-CD1 3.94Å |
| 125 | H | 91 | Very high | 90.4 | Very high | 55 Ų | 55 | 52 Ų | 52 | 26% | 0.255 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.3 | -48 | 178.9 | -79.8 | -70.9 | 0 | 0 | 0 | 111.6 | W121 F122 L127 Q128 H129 | W121-H125 PolarHBondContact O-CD2 3.08Å; W121-H125 VanDerWaalsContact O-CD2 3.26Å; W121-H125 PolarHBondContact O-N 3.22Å; F122-H125 PolarHBondContact O-N 3.34Å; H125-L127 VanDerWaalsContact C-N 3.31Å; H125-L127 PolarHBondContact O-N 3.3Å; H125-Q128 PolarHBondContact O-N 3.46Å; H125-H129 PolarHBondContact O-CD2 3.38Å; H125-H129 PolarHBondContact O-N 2.91Å |
| 126 | L | 92 | Very high | 90.9 | Very high | 83 Ų | 83 | 56.5 Ų | 56.5 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.8 | -45.8 | 178.1 | -178.6 | 61.9 | 0 | 0 | 0 | 111.3 | F122 A123 Q128 H129 L130 | F122-L126 HydrophobicContact CE1-CD2 4.17Å; F122-L126 VanDerWaalsContact O-CB 3.31Å; F122-L126 WeakPolarHBondContact O-CB 3.28Å; F122-L126 PolarHBondContact O-N 3.47Å; A123-L126 PolarHBondContact O-N 3.36Å; L126-Q128 PolarHBondContact O-N 2.65Å; L126-H129 PolarHBondContact O-N 3.04Å; L126-L130 HydrophobicContact CD1-CD1 4.47Å; L126-L130 HydrophobicContact CD1-CG 4.4Å; L126-L130 HydrophobicContact CG-CD1 4.19Å; L126-L130 VanDerWaalsContact O-CG 3.32Å; L126-L130 WeakPolarHBondContact O-CG 3.49Å; L126-L130 PolarHBondContact O-N 3.47Å |
| 127 | L | 90.6 | Very high | 91.3 | Very high | 20 Ų | 20 | 57.1 Ų | 57.1 | 11% | 0.105 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 178.3 | -178.5 | 63.5 | 0 | 0 | 0 | 112.3 | L94 W118 A123 V124 H125 N131 | L94-L127 HydrophobicContact CD1-CD1 3.93Å; L94-L127 HydrophobicContact CD1-CD2 4.38Å; L94-L127 HydrophobicContact CD2-CD1 3.84Å; L94-L127 HydrophobicContact CD2-CD2 3.97Å; W118-L127 HydrophobicContact CH2-CD2 3.97Å; W118-L127 HydrophobicContact CZ2-CD2 3.52Å; A123-L127 VanDerWaalsContact O-CB 3.29Å; A123-L127 WeakPolarHBondContact O-CB 3.34Å; A123-L127 PolarHBondContact O-N 3.5Å; V124-L127 PolarHBondContact O-N 2.79Å; H125-L127 VanDerWaalsContact C-N 3.31Å; H125-L127 PolarHBondContact O-N 3.3Å; L127-N131 WeakPolarHBondContact O-CB 3.48Å; L127-N131 PolarHBondContact O-N 2.85Å; L127-N131 PolarHBondContact O-ND2 2.93Å |
| 128 | Q | 90.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 57.3 Ų | 57.3 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 175.6 | -66.5 | -51 | -27.2 | 0 | 0 | 111.5 | V124 H125 L126 N131 M132 R197 L198 | V124-Q128 WeakPolarHBondContact O-CG 3.24Å; V124-Q128 PolarHBondContact O-N 3.04Å; H125-Q128 PolarHBondContact O-N 3.46Å; L126-Q128 PolarHBondContact O-N 2.65Å; Q128-N131 PolarHBondContact O-N 3.45Å; Q128-M132 WeakPolarHBondContact O-CG 3.29Å; Q128-M132 PolarHBondContact O-N 2.94Å; Q128-R197 VanDerWaalsContact NE2-CZ 3.32Å; Q128-L198 HydrophobicContact CB-CD1 4.34Å; Q128-L198 HydrophobicContact CB-CD2 3.89Å; Q128-L198 HydrophobicContact CB-CG 4.22Å; Q128-L198 HydrophobicContact CG-CD2 4.07Å |
| 129 | H | 92.4 | Very high | 91.7 | Very high | 97 Ų | 97 | 59.5 Ų | 59.5 | 45% | 0.449 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 176.3 | -75 | -64.6 | 0 | 0 | 0 | 112.4 | H125 L126 N131 M132 V133 | H125-H129 PolarHBondContact O-CD2 3.38Å; H125-H129 PolarHBondContact O-N 2.91Å; L126-H129 PolarHBondContact O-N 3.04Å; H129-N131 VanDerWaalsContact C-N 3.33Å; H129-N131 PolarHBondContact O-N 3.47Å; H129-M132 HydrophobicContact CB-CE 4.38Å; H129-M132 WeakPolarHBondContact ND1-CE 3.45Å; H129-M132 PolarHBondContact O-N 3.35Å; H129-V133 WeakPolarHBondContact O-CG2 3.29Å; H129-V133 PolarHBondContact O-N 2.95Å |
| 130 | L | 92.9 | Very high | 92.1 | Very high | 91 Ų | 91 | 59.6 Ų | 59.6 | 48% | 0.476 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 176.1 | -73.2 | 173.9 | 0 | 0 | 0 | 111.9 | L126 M132 V133 L134 | L126-L130 HydrophobicContact CD1-CD1 4.47Å; L126-L130 HydrophobicContact CD1-CG 4.4Å; L126-L130 HydrophobicContact CG-CD1 4.19Å; L126-L130 VanDerWaalsContact O-CG 3.32Å; L126-L130 WeakPolarHBondContact O-CG 3.49Å; L126-L130 PolarHBondContact O-N 3.47Å; L130-M132 PolarHBondContact O-N 3.19Å; L130-V133 PolarHBondContact O-N 3.01Å; L130-L134 WeakPolarHBondContact O-CG 3.31Å; L130-L134 PolarHBondContact O-N 3.42Å |
| 131 | N | 92.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.9 | -34.1 | 177.9 | -71.5 | -49 | 0 | 0 | 0 | 112.9 | L51 Y90 L127 Q128 H129 L134 A135 R194 | L51-N131 HydrophobicContact CD2-CB 3.81Å; Y90-N131 PolarHBondContact OH-OD1 3Å; L127-N131 WeakPolarHBondContact O-CB 3.48Å; L127-N131 PolarHBondContact O-N 2.85Å; L127-N131 PolarHBondContact O-ND2 2.93Å; Q128-N131 PolarHBondContact O-N 3.45Å; H129-N131 VanDerWaalsContact C-N 3.33Å; H129-N131 PolarHBondContact O-N 3.47Å; N131-L134 PolarHBondContact O-N 3.5Å; N131-A135 PolarHBondContact O-N 3.07Å; N131-R194 VanDerWaalsContact CG-NH1 3.27Å; N131-R194 PolarHBondContact ND2-NH1 3.26Å |
| 132 | M | 92.4 | Very high | 92.6 | Very high | 22 Ų | 22 | 54.4 Ų | 54.4 | 11% | 0.108 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65 | -43.3 | 171.7 | -72.7 | -172.8 | -60.5 | 0 | 0 | 111.3 | Q128 H129 L130 L134 A135 F136 R194 L198 | Q128-M132 WeakPolarHBondContact O-CG 3.29Å; Q128-M132 PolarHBondContact O-N 2.94Å; H129-M132 HydrophobicContact CB-CE 4.38Å; H129-M132 WeakPolarHBondContact ND1-CE 3.45Å; H129-M132 PolarHBondContact O-N 3.35Å; L130-M132 PolarHBondContact O-N 3.19Å; M132-L134 VanDerWaalsContact C-N 3.29Å; M132-L134 PolarHBondContact O-N 2.85Å; M132-A135 WeakPolarHBondContact O-CB 3.49Å; M132-A135 PolarHBondContact O-N 3.34Å; M132-A135 VanDerWaalsContact O-N 3.11Å; M132-F136 WeakPolarHBondContact O-CD2 3.48Å; M132-F136 PolarHBondContact O-N 3.41Å; M132-R194 HydrophobicContact CG-CB 3.95Å; M132-R194 HydrophobicContact SD-CB 4.36Å; M132-L198 HydrophobicContact CE-CD1 3.45Å; M132-L198 VanDerWaalsContact CE-CD1 3.45Å; M132-L198 HydrophobicContact SD-CD1 3.98Å |
| 133 | V | 94.8 | Very high | 92.6 | Very high | 88 Ų | 88 | 50.7 Ų | 50.7 | 53% | 0.533 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.6 | -41.1 | 174.8 | 170.9 | 0 | 0 | 0 | 0 | 111 | H129 L130 F136 S137 | H129-V133 WeakPolarHBondContact O-CG2 3.29Å; H129-V133 PolarHBondContact O-N 2.95Å; L130-V133 PolarHBondContact O-N 3.01Å; V133-F136 PolarHBondContact O-N 3.36Å; V133-S137 WeakPolarHBondContact O-CB 3.31Å; V133-S137 PolarHBondContact O-N 2.99Å; V133-S137 PolarHBondContact O-OG 3.2Å |
| 134 | L | 94.4 | Very high | 92.8 | Very high | 57 Ų | 57 | 52.7 Ų | 52.7 | 30% | 0.298 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 172.8 | -71.7 | 173.1 | 0 | 0 | 0 | 111.4 | L51 M52 L130 N131 M132 F136 S137 I138 | L51-L134 HydrophobicContact CD2-CB 4.47Å; M52-L134 HydrophobicContact SD-CD1 4.28Å; L130-L134 WeakPolarHBondContact O-CG 3.31Å; L130-L134 PolarHBondContact O-N 3.42Å; N131-L134 PolarHBondContact O-N 3.5Å; M132-L134 VanDerWaalsContact C-N 3.29Å; M132-L134 PolarHBondContact O-N 2.85Å; L134-F136 PolarHBondContact O-N 3.01Å; L134-S137 WeakPolarHBondContact O-CB 3.19Å; L134-S137 PolarHBondContact O-N 3.49Å; L134-S137 VanDerWaalsContact O-N 3.15Å; L134-I138 VanDerWaalsContact O-CG1 3.23Å; L134-I138 WeakPolarHBondContact O-CG1 3.12Å; L134-I138 PolarHBondContact O-N 2.92Å |
| 135 | A | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L51 N131 M132 S137 I138 F139 V187 I191 | L51-A135 HydrophobicContact CD1-CB 4.03Å; N131-A135 PolarHBondContact O-N 3.07Å; M132-A135 WeakPolarHBondContact O-CB 3.49Å; M132-A135 PolarHBondContact O-N 3.34Å; M132-A135 VanDerWaalsContact O-N 3.11Å; A135-S137 VanDerWaalsContact C-N 3.35Å; A135-S137 PolarHBondContact O-N 3.18Å; A135-I138 WeakPolarHBondContact O-CB 3.36Å; A135-I138 PolarHBondContact O-N 3.35Å; A135-F139 PolarHBondContact O-N 3.33Å; A135-V187 HydrophobicContact CB-CG1 4.3Å; A135-V187 VanDerWaalsContact O-CG1 3.3Å; A135-V187 WeakPolarHBondContact O-CG1 3.22Å; A135-I191 HydrophobicContact CB-CD1 4.34Å; A135-I191 HydrophobicContact CB-CG1 3.81Å |
| 136 | F | 94.2 | Very high | 92.9 | Very high | 97 Ų | 97 | 52.1 Ų | 52.1 | 43% | 0.425 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 173.2 | -78.5 | -67.9 | 0 | 0 | 0 | 112.2 | M132 V133 L134 I138 F139 F140 I191 | M132-F136 WeakPolarHBondContact O-CD2 3.48Å; M132-F136 PolarHBondContact O-N 3.41Å; V133-F136 PolarHBondContact O-N 3.36Å; L134-F136 PolarHBondContact O-N 3.01Å; F136-I138 VanDerWaalsContact C-N 3.32Å; F136-I138 PolarHBondContact O-N 3.31Å; F136-F139 WeakPolarHBondContact O-CB 3.36Å; F136-F139 PolarHBondContact O-N 2.98Å; F136-F139 VanDerWaalsContact O-N 3.14Å; F136-F140 WeakPolarHBondContact O-CD2 3.11Å; F136-F140 PolarHBondContact O-N 3.44Å; F136-I191 HydrophobicContact CD1-CD1 4.15Å; F136-I191 HydrophobicContact CE1-CD1 3.94Å; F136-I191 HydrophobicContact CE2-CD1 4.48Å; F136-I191 HydrophobicContact CZ-CD1 4.11Å; F136-I191 HydrophobicContact CZ-CG2 4.22Å |
| 137 | S | 94.6 | Very high | 92.9 | Very high | 54 Ų | 54 | 53 Ų | 53 | 38% | 0.378 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 177.2 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | V133 L134 A135 F139 F140 L141 | V133-S137 WeakPolarHBondContact O-CB 3.31Å; V133-S137 PolarHBondContact O-N 2.99Å; V133-S137 PolarHBondContact O-OG 3.2Å; L134-S137 WeakPolarHBondContact O-CB 3.19Å; L134-S137 PolarHBondContact O-N 3.49Å; L134-S137 VanDerWaalsContact O-N 3.15Å; A135-S137 VanDerWaalsContact C-N 3.35Å; A135-S137 PolarHBondContact O-N 3.18Å; S137-F139 PolarHBondContact O-N 2.92Å; S137-F140 PolarHBondContact O-N 2.97Å; S137-L141 WeakPolarHBondContact O-CB 3.08Å; S137-L141 VanDerWaalsContact O-CG 3.27Å; S137-L141 WeakPolarHBondContact O-CG 3.46Å; S137-L141 PolarHBondContact O-N 2.89Å |
| 138 | I | 94.2 | Very high | 93 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 173.8 | -64.5 | 164.3 | 0 | 0 | 0 | 110.3 | L51 A54 V55 S58 L134 A135 F136 F140 L141 N142 V187 | L51-I138 HydrophobicContact CD1-CD1 3.66Å; A54-I138 HydrophobicContact CB-CD1 4.23Å; V55-I138 HydrophobicContact CB-CD1 4.37Å; V55-I138 HydrophobicContact CG2-CD1 3.44Å; V55-I138 VanDerWaalsContact CG2-CD1 3.44Å; V55-I138 HydrophobicContact CG2-CG1 3.85Å; S58-I138 WeakPolarHBondContact OG-CG2 3.46Å; L134-I138 VanDerWaalsContact O-CG1 3.23Å; L134-I138 WeakPolarHBondContact O-CG1 3.12Å; L134-I138 PolarHBondContact O-N 2.92Å; A135-I138 WeakPolarHBondContact O-CB 3.36Å; A135-I138 PolarHBondContact O-N 3.35Å; F136-I138 VanDerWaalsContact C-N 3.32Å; F136-I138 PolarHBondContact O-N 3.31Å; I138-F140 PolarHBondContact O-N 3.41Å; I138-L141 PolarHBondContact O-N 3.31Å; I138-N142 VanDerWaalsContact CG2-ND2 3.26Å; I138-N142 WeakPolarHBondContact CG2-ND2 3.47Å; I138-N142 PolarHBondContact O-N 2.69Å; I138-N142 PolarHBondContact O-ND2 3.05Å; I138-V187 HydrophobicContact CB-CG2 3.86Å; I138-V187 HydrophobicContact CD1-CG2 4.4Å; I138-V187 HydrophobicContact CG2-CG2 3.45Å; I138-V187 VanDerWaalsContact CG2-CG2 3.45Å |
| 139 | F | 92.7 | Very high | 92.8 | Very high | 80 Ų | 80 | 58 Ų | 58 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -55.6 | -51.7 | 177.8 | -179.5 | -98.5 | 0 | 0 | 0 | 111.6 | A135 F136 S137 N142 L143 L184 V187 | A135-F139 PolarHBondContact O-N 3.33Å; F136-F139 WeakPolarHBondContact O-CB 3.36Å; F136-F139 PolarHBondContact O-N 2.98Å; F136-F139 VanDerWaalsContact O-N 3.14Å; S137-F139 PolarHBondContact O-N 2.92Å; F139-N142 PolarHBondContact O-N 3.22Å; F139-L143 HydrophobicContact CE1-CD2 4.4Å; F139-L143 WeakPolarHBondContact O-CB 3.49Å; F139-L143 PolarHBondContact O-N 3.04Å; F139-L184 HydrophobicContact CD2-CD1 4.17Å; F139-L184 HydrophobicContact CE2-CD1 3.91Å; F139-V187 HydrophobicContact CB-CG1 4.08Å |
| 140 | F | 94.3 | Very high | 92.7 | Very high | 121 Ų | 121 | 61.8 Ų | 61.8 | 53% | 0.531 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 179.9 | -74.4 | -68 | 0 | 0 | 0 | 112.6 | F136 S137 I138 N142 L143 S144 | F136-F140 WeakPolarHBondContact O-CD2 3.11Å; F136-F140 PolarHBondContact O-N 3.44Å; S137-F140 PolarHBondContact O-N 2.97Å; I138-F140 PolarHBondContact O-N 3.41Å; F140-N142 PolarHBondContact O-N 2.92Å; F140-L143 PolarHBondContact O-N 3.06Å; F140-S144 WeakPolarHBondContact O-CB 3.3Å; F140-S144 PolarHBondContact O-N 3.38Å; F140-S144 PolarHBondContact O-OG 3.19Å; F140-S144 VanDerWaalsContact O-OG 3.07Å |
| 141 | L | 93.4 | Very high | 92.7 | Very high | 75 Ų | 75 | 64.4 Ų | 64.4 | 39% | 0.393 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.6 | -47.4 | 175.6 | -76 | 172 | 0 | 0 | 0 | 111.8 | S137 I138 L143 S144 V145 | S137-L141 WeakPolarHBondContact O-CB 3.08Å; S137-L141 VanDerWaalsContact O-CG 3.27Å; S137-L141 WeakPolarHBondContact O-CG 3.46Å; S137-L141 PolarHBondContact O-N 2.89Å; I138-L141 PolarHBondContact O-N 3.31Å; L141-L143 VanDerWaalsContact C-N 3.34Å; L141-L143 PolarHBondContact O-N 2.91Å; L141-S144 PolarHBondContact O-N 3.35Å; L141-V145 WeakPolarHBondContact O-CG2 3.28Å; L141-V145 PolarHBondContact O-N 2.95Å |
| 142 | N | 92.5 | Very high | 92.5 | Very high | 14 Ų | 14 | 65.4 Ų | 65.4 | 8% | 0.075 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 177 | -72.2 | -67.2 | 0 | 0 | 0 | 111.6 | S58 I138 F139 F140 S144 V145 I146 | S58-N142 PolarHBondContact OG-ND2 2.9Å; S58-N142 PolarHBondContact OG-OD1 3.14Å; S58-N142 VanDerWaalsContact OG-OD1 3.14Å; I138-N142 VanDerWaalsContact CG2-ND2 3.26Å; I138-N142 WeakPolarHBondContact CG2-ND2 3.47Å; I138-N142 PolarHBondContact O-N 2.69Å; I138-N142 PolarHBondContact O-ND2 3.05Å; F139-N142 PolarHBondContact O-N 3.22Å; F140-N142 PolarHBondContact O-N 2.92Å; N142-S144 PolarHBondContact O-N 3.42Å; N142-V145 PolarHBondContact O-N 2.7Å; N142-I146 VanDerWaalsContact O-CG1 3.26Å; N142-I146 WeakPolarHBondContact O-CG1 3.45Å; N142-I146 PolarHBondContact O-N 2.94Å |
| 143 | L | 92.3 | Very high | 92.3 | Very high | 71 Ų | 71 | 65.5 Ų | 65.5 | 37% | 0.372 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 176 | -178.5 | 60.5 | 0 | 0 | 0 | 111.4 | F139 F140 L141 V145 I146 I147 | F139-L143 HydrophobicContact CE1-CD2 4.4Å; F139-L143 WeakPolarHBondContact O-CB 3.49Å; F139-L143 PolarHBondContact O-N 3.04Å; F140-L143 PolarHBondContact O-N 3.06Å; L141-L143 VanDerWaalsContact C-N 3.34Å; L141-L143 PolarHBondContact O-N 2.91Å; L143-V145 VanDerWaalsContact C-N 3.33Å; L143-V145 PolarHBondContact O-N 2.94Å; L143-I146 PolarHBondContact O-N 2.85Å; L143-I147 HydrophobicContact CD1-CD1 4.15Å; L143-I147 HydrophobicContact CD1-CG1 4.41Å; L143-I147 HydrophobicContact CG-CD1 3.97Å; L143-I147 WeakPolarHBondContact O-CG1 3.35Å; L143-I147 PolarHBondContact O-N 3.23Å |
| 144 | S | 93 | Very high | 92.1 | Very high | 70 Ų | 70 | 67.7 Ų | 67.7 | 49% | 0.49 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 175.5 | -64.1 | 0 | 0 | 0 | 0 | 112.1 | F140 L141 N142 I147 Y148 | F140-S144 WeakPolarHBondContact O-CB 3.3Å; F140-S144 PolarHBondContact O-N 3.38Å; F140-S144 PolarHBondContact O-OG 3.19Å; F140-S144 VanDerWaalsContact O-OG 3.07Å; L141-S144 PolarHBondContact O-N 3.35Å; N142-S144 PolarHBondContact O-N 3.42Å; S144-I147 PolarHBondContact O-N 3.42Å; S144-Y148 VanDerWaalsContact O-CB 3.27Å; S144-Y148 WeakPolarHBondContact O-CB 3.35Å; S144-Y148 PolarHBondContact O-N 2.96Å |
| 145 | V | 91.7 | Very high | 92 | Very high | 7 Ų | 7 | 69.6 Ų | 69.6 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 176.1 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | T62 V65 L141 N142 L143 Y148 S149 M176 | T62-V145 HydrophobicContact CG2-CG2 4.3Å; V65-V145 HydrophobicContact CB-CG1 4.18Å; V65-V145 HydrophobicContact CG1-CG1 4.27Å; V65-V145 HydrophobicContact CG2-CG1 3.85Å; L141-V145 WeakPolarHBondContact O-CG2 3.28Å; L141-V145 PolarHBondContact O-N 2.95Å; N142-V145 PolarHBondContact O-N 2.7Å; L143-V145 VanDerWaalsContact C-N 3.33Å; L143-V145 PolarHBondContact O-N 2.94Å; V145-Y148 PolarHBondContact O-N 3.23Å; V145-S149 WeakPolarHBondContact O-CB 3.34Å; V145-S149 PolarHBondContact O-N 2.78Å; V145-S149 PolarHBondContact O-OG 3.45Å; V145-M176 HydrophobicContact CG1-SD 4.37Å |
| 146 | I | 91 | Very high | 91.8 | Very high | 40 Ų | 40 | 72 Ų | 72 | 21% | 0.205 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 175.8 | -66.2 | 162.5 | 0 | 0 | 0 | 110.8 | N142 L143 S149 R150 T180 | N142-I146 VanDerWaalsContact O-CG1 3.26Å; N142-I146 WeakPolarHBondContact O-CG1 3.45Å; N142-I146 PolarHBondContact O-N 2.94Å; L143-I146 PolarHBondContact O-N 2.85Å; I146-S149 WeakPolarHBondContact CA-OG 3.36Å; I146-S149 PolarHBondContact O-OG 2.68Å; I146-R150 WeakPolarHBondContact O-CB 3.33Å; I146-R150 WeakPolarHBondContact O-CG 3.46Å; I146-R150 PolarHBondContact O-N 3.14Å; I146-T180 HydrophobicContact CD1-CG2 3.6Å; I146-T180 HydrophobicContact CG1-CG2 4.35Å |
| 147 | I | 92.6 | Very high | 91.6 | Very high | 102 Ų | 102 | 73.3 Ų | 73.3 | 52% | 0.523 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 178.2 | -68.2 | 168.4 | 0 | 0 | 0 | 110.2 | L143 S144 R150 Y151 | L143-I147 HydrophobicContact CD1-CD1 4.15Å; L143-I147 HydrophobicContact CD1-CG1 4.41Å; L143-I147 HydrophobicContact CG-CD1 3.97Å; L143-I147 WeakPolarHBondContact O-CG1 3.35Å; L143-I147 PolarHBondContact O-N 3.23Å; S144-I147 PolarHBondContact O-N 3.42Å; I147-R150 PolarHBondContact O-N 3.34Å; I147-Y151 WeakPolarHBondContact O-CB 3.38Å; I147-Y151 PolarHBondContact O-N 3.49Å |
| 148 | Y | 91.4 | Very high | 91.5 | Very high | 106 Ų | 106 | 81.2 Ų | 81.2 | 42% | 0.416 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 179.5 | 178.7 | -91 | 0 | 0 | 0 | 112.5 | V65 S144 V145 Y151 T152 | V65-Y148 HydrophobicContact CG1-CD1 3.41Å; V65-Y148 VanDerWaalsContact CG1-CD1 3.41Å; V65-Y148 HydrophobicContact CG1-CE1 3.73Å; S144-Y148 VanDerWaalsContact O-CB 3.27Å; S144-Y148 WeakPolarHBondContact O-CB 3.35Å; S144-Y148 PolarHBondContact O-N 2.96Å; V145-Y148 PolarHBondContact O-N 3.23Å; Y148-Y151 PolarHBondContact O-N 3.35Å; Y148-T152 WeakPolarHBondContact O-CB 3.41Å; Y148-T152 PolarHBondContact O-N 2.81Å; Y148-T152 PolarHBondContact O-OG1 3.31Å |
| 149 | S | 88.4 | Confident | 91.5 | Very high | 20 Ų | 20 | 88.7 Ų | 88.7 | 14% | 0.14 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 177.3 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | V145 I146 T152 A153 | V145-S149 WeakPolarHBondContact O-CB 3.34Å; V145-S149 PolarHBondContact O-N 2.78Å; V145-S149 PolarHBondContact O-OG 3.45Å; I146-S149 WeakPolarHBondContact CA-OG 3.36Å; I146-S149 PolarHBondContact O-OG 2.68Å; S149-T152 PolarHBondContact O-N 3.3Å; S149-A153 WeakPolarHBondContact O-CB 3.49Å; S149-A153 PolarHBondContact O-N 3.1Å |
| 150 | R | 89.9 | Confident | 91.4 | Very high | 178 Ų | 178 | 92.1 Ų | 92.1 | 67% | 0.672 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64 | -41.6 | 173.8 | -73.9 | -178.2 | 176.1 | -169.6 | 0.3 | 112.6 | I146 I147 T152 A153 K154 | I146-R150 WeakPolarHBondContact O-CB 3.33Å; I146-R150 WeakPolarHBondContact O-CG 3.46Å; I146-R150 PolarHBondContact O-N 3.14Å; I147-R150 PolarHBondContact O-N 3.34Å; R150-T152 VanDerWaalsContact C-N 3.35Å; R150-A153 PolarHBondContact O-N 3.47Å; R150-K154 WeakPolarHBondContact O-CG 3.41Å; R150-K154 PolarHBondContact O-N 2.91Å |
| 151 | Y | 91.8 | Very high | 91.3 | Very high | 146 Ų | 146 | 90 Ų | 90 | 57% | 0.573 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60.7 | -46.1 | 175 | 172.8 | -95.4 | 0 | 0 | 0 | 111.2 | I147 Y148 K154 K155 | I147-Y151 WeakPolarHBondContact O-CB 3.38Å; I147-Y151 PolarHBondContact O-N 3.49Å; Y148-Y151 PolarHBondContact O-N 3.35Å; Y151-K154 PolarHBondContact O-N 3.47Å; Y151-K155 PolarHBondContact O-N 3.29Å |
| 152 | T | 88.5 | Confident | 91 | Very high | 21 Ų | 21 | 89.6 Ų | 89.6 | 13% | 0.129 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.3 | -46.6 | 177.3 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | Y148 S149 R150 K154 K155 Y156 | Y148-T152 WeakPolarHBondContact O-CB 3.41Å; Y148-T152 PolarHBondContact O-N 2.81Å; Y148-T152 PolarHBondContact O-OG1 3.31Å; S149-T152 PolarHBondContact O-N 3.3Å; R150-T152 VanDerWaalsContact C-N 3.35Å; T152-K154 VanDerWaalsContact C-N 3.35Å; T152-K154 PolarHBondContact O-N 2.88Å; T152-K155 WeakPolarHBondContact O-CB 3.4Å; T152-K155 PolarHBondContact O-N 3.3Å; T152-Y156 HydrophobicContact CG2-CD2 3.84Å; T152-Y156 HydrophobicContact CG2-CE2 3.7Å; T152-Y156 VanDerWaalsContact O-CD2 3.31Å; T152-Y156 WeakPolarHBondContact O-CD2 3.3Å; T152-Y156 PolarHBondContact O-N 3.43Å |
| 153 | A | 87.9 | Confident | 90.8 | Very high | 25 Ų | 25 | 96.3 Ų | 96.3 | 21% | 0.207 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -56.8 | -45.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S149 R150 K155 Y156 Q157 F165 | S149-A153 WeakPolarHBondContact O-CB 3.49Å; S149-A153 PolarHBondContact O-N 3.1Å; R150-A153 PolarHBondContact O-N 3.47Å; A153-K155 VanDerWaalsContact C-N 3.32Å; A153-K155 PolarHBondContact O-N 3.49Å; A153-Y156 PolarHBondContact O-N 2.91Å; A153-Q157 PolarHBondContact O-N 2.87Å; A153-F165 HydrophobicContact CB-CE1 4.33Å; A153-F165 HydrophobicContact CB-CE2 4.21Å; A153-F165 HydrophobicContact CB-CZ 3.98Å |
| 154 | K | 91.5 | Very high | 90.5 | Very high | 134 Ų | 134 | 97 Ų | 97 | 58% | 0.583 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.4 | -37.8 | 174.7 | -75.6 | -176.6 | 177.5 | -176.7 | 0 | 112.6 | R150 Y151 T152 Q157 R158 | R150-K154 WeakPolarHBondContact O-CG 3.41Å; R150-K154 PolarHBondContact O-N 2.91Å; Y151-K154 PolarHBondContact O-N 3.47Å; T152-K154 VanDerWaalsContact C-N 3.35Å; T152-K154 PolarHBondContact O-N 2.88Å; K154-Q157 PolarHBondContact O-N 3.24Å; K154-R158 WeakPolarHBondContact O-CG 3.35Å; K154-R158 PolarHBondContact O-N 2.96Å |
| 155 | K | 91.6 | Very high | 90.2 | Very high | 96 Ų | 96 | 94.9 Ų | 94.9 | 42% | 0.417 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 176.5 | -174.5 | 179.2 | 179.8 | 177.7 | 0 | 111.8 | Y151 T152 A153 R159 | Y151-K155 PolarHBondContact O-N 3.29Å; T152-K155 WeakPolarHBondContact O-CB 3.4Å; T152-K155 PolarHBondContact O-N 3.3Å; A153-K155 VanDerWaalsContact C-N 3.32Å; A153-K155 PolarHBondContact O-N 3.49Å; K155-R159 WeakPolarHBondContact O-CG 3.46Å; K155-R159 PolarHBondContact O-N 2.95Å |
| 156 | Y | 89.4 | Confident | 89.9 | Confident | 51 Ų | 51 | 99.3 Ų | 99.3 | 20% | 0.2 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 173.8 | -84.8 | -87.5 | 0 | 0 | 0 | 111.9 | T152 A153 R159 N160 L161 L164 F165 Y169 | T152-Y156 HydrophobicContact CG2-CD2 3.84Å; T152-Y156 HydrophobicContact CG2-CE2 3.7Å; T152-Y156 VanDerWaalsContact O-CD2 3.31Å; T152-Y156 WeakPolarHBondContact O-CD2 3.3Å; T152-Y156 PolarHBondContact O-N 3.43Å; A153-Y156 PolarHBondContact O-N 2.91Å; Y156-R159 CarbonylContact O-C 3.19Å; Y156-R159 PolarHBondContact O-N 2.77Å; Y156-R159 VanDerWaalsContact O-N 3.16Å; Y156-N160 PolarHBondContact O-N 3.48Å; Y156-L161 HydrophobicContact CD1-CB 3.9Å; Y156-L161 PolarHBondContact O-N 3.36Å; Y156-L164 HydrophobicContact CE1-CD2 4.4Å; Y156-F165 HydrophobicContact CD1-CB 4.2Å; Y156-F165 AromaticContact CD2-CD2 3.94Å; Y156-F165 HydrophobicContact CD2-CD2 3.94Å; Y156-F165 HydrophobicContact CE2-CD2 4.43Å; Y156-F165 HydrophobicContact CG-CB 4.01Å; Y156-F165 HydrophobicContact CG-CD2 4.24Å; Y156-Y169 HydrophobicContact CE2-CE2 4.38Å |
| 157 | Q | 91.1 | Very high | 89.6 | Confident | 125 Ų | 125 | 104.1 Ų | 104.1 | 58% | 0.584 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.7 | -46.2 | 175.7 | -173.3 | -177.5 | -3.9 | 0 | 0 | 111.9 | A153 K154 R159 N160 | A153-Q157 PolarHBondContact O-N 2.87Å; K154-Q157 PolarHBondContact O-N 3.24Å; Q157-R159 PolarHBondContact O-N 3.12Å; Q157-R159 VanDerWaalsContact O-N 3.16Å; Q157-N160 PolarHBondContact O-N 2.97Å |
| 158 | R | 93.1 | Very high | 89.1 | Confident | 220 Ų | 220 | 104.6 Ų | 104.6 | 83% | 0.83 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.5 | -24.4 | 176.4 | -75.7 | -177.9 | -177.9 | -177.4 | -0.2 | 113.7 | K154 | K154-R158 WeakPolarHBondContact O-CG 3.35Å; K154-R158 PolarHBondContact O-N 2.96Å |
| 159 | R | 93.3 | Very high | 88.6 | Confident | 161 Ų | 161 | 101 Ų | 101 | 61% | 0.608 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 4.7 | 177.5 | -67.2 | 179.2 | 177.2 | -165.5 | -5 | 113 | K155 Y156 Q157 L161 | K155-R159 WeakPolarHBondContact O-CG 3.46Å; K155-R159 PolarHBondContact O-N 2.95Å; Y156-R159 CarbonylContact O-C 3.19Å; Y156-R159 PolarHBondContact O-N 2.77Å; Y156-R159 VanDerWaalsContact O-N 3.16Å; Q157-R159 PolarHBondContact O-N 3.12Å; Q157-R159 VanDerWaalsContact O-N 3.16Å; R159-L161 HydrophobicContact CB-CB 4.49Å; R159-L161 HydrophobicContact CB-CD1 4.08Å; R159-L161 HydrophobicContact CB-CG 4.18Å; R159-L161 PolarHBondContact O-N 2.92Å |
| 160 | N | 90.9 | Very high | 88.3 | Confident | 151 Ų | 151 | 103.3 Ų | 103.3 | 81% | 0.807 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 25.3 | -172 | -63.9 | -30.9 | 0 | 0 | 0 | 114.1 | Y156 Q157 | Y156-N160 PolarHBondContact O-N 3.48Å; Q157-N160 PolarHBondContact O-N 2.97Å |
| 161 | L | 92.1 | Very high | 87.8 | Confident | 77 Ų | 77 | 102 Ų | 102 | 40% | 0.403 | 47% | 0.468 | S | S | . | . | trans | -105.8 | 31.8 | -178.9 | -65.7 | 174.3 | 0 | 0 | 0 | 111.9 | Y156 R159 Q163 L164 F165 | Y156-L161 HydrophobicContact CD1-CB 3.9Å; Y156-L161 PolarHBondContact O-N 3.36Å; R159-L161 HydrophobicContact CB-CB 4.49Å; R159-L161 HydrophobicContact CB-CD1 4.08Å; R159-L161 HydrophobicContact CB-CG 4.18Å; R159-L161 PolarHBondContact O-N 2.92Å; L161-Q163 VanDerWaalsContact C-N 3.32Å; L161-Q163 PolarHBondContact O-N 2.96Å; L161-L164 HydrophobicContact CB-CB 4.39Å; L161-L164 WeakPolarHBondContact O-CB 3.31Å; L161-L164 PolarHBondContact O-N 3.3Å; L161-F165 PolarHBondContact O-N 3.3Å; L161-F165 VanDerWaalsContact O-N 3.11Å | ||
| 162 | I | 86.6 | Confident | 87.3 | Confident | 67 Ų | 67 | 98 Ų | 98 | 34% | 0.344 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.8 | -33.6 | -176.7 | -164.4 | 63.1 | 0 | 0 | 0 | 112.3 | L164 F165 H166 | I162-L164 VanDerWaalsContact C-N 3.34Å; I162-L164 PolarHBondContact O-N 3.42Å; I162-F165 HydrophobicContact CD1-CB 4.33Å; I162-F165 HydrophobicContact CD1-CD1 4.24Å; I162-F165 WeakPolarHBondContact O-CA 3.2Å; I162-F165 WeakPolarHBondContact O-CB 3.12Å; I162-F165 PolarHBondContact O-N 3.36Å; I162-F165 VanDerWaalsContact O-N 3.14Å; I162-H166 PolarHBondContact O-CD2 3.2Å; I162-H166 VanDerWaalsContact O-CD2 3.27Å; I162-H166 PolarHBondContact O-N 3.4Å |
| 163 | Q | 88.6 | Confident | 87.1 | Confident | 155 Ų | 155 | 98.7 Ų | 98.7 | 72% | 0.724 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.2 | -42.9 | 174.7 | -69.4 | -179.4 | -15 | 0 | 0 | 111.3 | L161 F165 H166 I167 | L161-Q163 VanDerWaalsContact C-N 3.32Å; L161-Q163 PolarHBondContact O-N 2.96Å; Q163-F165 VanDerWaalsContact C-N 3.26Å; Q163-F165 PolarHBondContact O-N 3Å; Q163-H166 PolarHBondContact O-N 2.98Å; Q163-I167 VanDerWaalsContact O-CG1 3.31Å; Q163-I167 WeakPolarHBondContact O-CG1 3.29Å; Q163-I167 PolarHBondContact O-N 3.41Å |
| 164 | L | 86.3 | Confident | 86.9 | Confident | 86 Ų | 86 | 104 Ų | 104 | 45% | 0.45 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.3 | -34.9 | 175.1 | -174.8 | 64 | 0 | 0 | 0 | 111.6 | Y156 L161 I162 K168 | Y156-L164 HydrophobicContact CE1-CD2 4.4Å; L161-L164 HydrophobicContact CB-CB 4.39Å; L161-L164 WeakPolarHBondContact O-CB 3.31Å; L161-L164 PolarHBondContact O-N 3.3Å; I162-L164 VanDerWaalsContact C-N 3.34Å; I162-L164 PolarHBondContact O-N 3.42Å; L164-K168 VanDerWaalsContact O-CB 3.24Å; L164-K168 WeakPolarHBondContact O-CB 3.42Å; L164-K168 PolarHBondContact O-N 3.05Å |
| 165 | F | 86 | Confident | 86.6 | Confident | 25 Ų | 25 | 100.2 Ų | 100.2 | 11% | 0.11 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.3 | -48.7 | 172.6 | 177.2 | -92.3 | 0 | 0 | 0 | 111.4 | A153 Y156 L161 I162 Q163 I167 K168 Y169 | A153-F165 HydrophobicContact CB-CE1 4.33Å; A153-F165 HydrophobicContact CB-CE2 4.21Å; A153-F165 HydrophobicContact CB-CZ 3.98Å; Y156-F165 HydrophobicContact CD1-CB 4.2Å; Y156-F165 AromaticContact CD2-CD2 3.94Å; Y156-F165 HydrophobicContact CD2-CD2 3.94Å; Y156-F165 HydrophobicContact CE2-CD2 4.43Å; Y156-F165 HydrophobicContact CG-CB 4.01Å; Y156-F165 HydrophobicContact CG-CD2 4.24Å; L161-F165 PolarHBondContact O-N 3.3Å; L161-F165 VanDerWaalsContact O-N 3.11Å; I162-F165 HydrophobicContact CD1-CB 4.33Å; I162-F165 HydrophobicContact CD1-CD1 4.24Å; I162-F165 WeakPolarHBondContact O-CA 3.2Å; I162-F165 WeakPolarHBondContact O-CB 3.12Å; I162-F165 PolarHBondContact O-N 3.36Å; I162-F165 VanDerWaalsContact O-N 3.14Å; Q163-F165 VanDerWaalsContact C-N 3.26Å; Q163-F165 PolarHBondContact O-N 3Å; F165-I167 PolarHBondContact O-N 3.17Å; F165-K168 PolarHBondContact O-N 3.47Å; F165-Y169 AromaticContact CD2-CD2 3.43Å; F165-Y169 HydrophobicContact CD2-CD2 3.43Å; F165-Y169 VanDerWaalsContact CD2-CD2 3.43Å; F165-Y169 HydrophobicContact CD2-CE2 4.08Å; F165-Y169 HydrophobicContact CD2-CG 4.06Å; F165-Y169 AromaticContact CE2-CD2 3.68Å; F165-Y169 HydrophobicContact CE2-CD2 3.68Å; F165-Y169 HydrophobicContact CE2-CE2 4.39Å; F165-Y169 AromaticContact CE2-CG 3.85Å; F165-Y169 HydrophobicContact CE2-CG 3.85Å; F165-Y169 HydrophobicContact CG-CD2 4.13Å; F165-Y169 HydrophobicContact CZ-CG 4.38Å; F165-Y169 WeakPolarHBondContact O-CA 3.47Å; F165-Y169 VanDerWaalsContact O-CB 3.29Å; F165-Y169 WeakPolarHBondContact O-CB 3.27Å; F165-Y169 WeakPolarHBondContact O-CD2 3.3Å; F165-Y169 PolarHBondContact O-N 3.19Å |
| 166 | H | 86.3 | Confident | 86.3 | Confident | 99 Ų | 99 | 97 Ų | 97 | 46% | 0.458 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.2 | -47 | 177.2 | -79.2 | -72.7 | 0 | 0 | 0 | 112.1 | I162 Q163 K168 Y169 D170 | I162-H166 PolarHBondContact O-CD2 3.2Å; I162-H166 VanDerWaalsContact O-CD2 3.27Å; I162-H166 PolarHBondContact O-N 3.4Å; Q163-H166 PolarHBondContact O-N 2.98Å; H166-K168 PolarHBondContact O-N 2.84Å; H166-Y169 PolarHBondContact O-N 3.32Å; H166-D170 WeakPolarHBondContact O-CB 3.32Å; H166-D170 PolarHBondContact O-N 3.03Å |
| 167 | I | 84.4 | Confident | 86.2 | Confident | 142 Ų | 142 | 100.9 Ų | 100.9 | 73% | 0.728 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.1 | -39.4 | 179 | -66.5 | 165 | 0 | 0 | 0 | 111.3 | Q163 F165 | Q163-I167 VanDerWaalsContact O-CG1 3.31Å; Q163-I167 WeakPolarHBondContact O-CG1 3.29Å; Q163-I167 PolarHBondContact O-N 3.41Å; F165-I167 PolarHBondContact O-N 3.17Å |
| 168 | K | 81.5 | Confident | 86.1 | Confident | 111 Ų | 111 | 95.2 Ų | 95.2 | 48% | 0.483 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -85.7 | -29.5 | -175.7 | -171.8 | 169.9 | 178.6 | -178.2 | 0 | 114 | L164 F165 H166 | L164-K168 VanDerWaalsContact O-CB 3.24Å; L164-K168 WeakPolarHBondContact O-CB 3.42Å; L164-K168 PolarHBondContact O-N 3.05Å; F165-K168 PolarHBondContact O-N 3.47Å; H166-K168 PolarHBondContact O-N 2.84Å |
| 169 | Y | 81.5 | Confident | 85.9 | Confident | 30 Ų | 30 | 85.1 Ų | 85.1 | 12% | 0.118 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -126.2 | 1.5 | -166.7 | -63.3 | -80.7 | 0 | 0 | 0 | 114.6 | Y156 F165 H166 E171 Q172 T173 | Y156-Y169 HydrophobicContact CE2-CE2 4.38Å; F165-Y169 AromaticContact CD2-CD2 3.43Å; F165-Y169 HydrophobicContact CD2-CD2 3.43Å; F165-Y169 VanDerWaalsContact CD2-CD2 3.43Å; F165-Y169 HydrophobicContact CD2-CE2 4.08Å; F165-Y169 HydrophobicContact CD2-CG 4.06Å; F165-Y169 AromaticContact CE2-CD2 3.68Å; F165-Y169 HydrophobicContact CE2-CD2 3.68Å; F165-Y169 HydrophobicContact CE2-CE2 4.39Å; F165-Y169 AromaticContact CE2-CG 3.85Å; F165-Y169 HydrophobicContact CE2-CG 3.85Å; F165-Y169 HydrophobicContact CG-CD2 4.13Å; F165-Y169 HydrophobicContact CZ-CG 4.38Å; F165-Y169 WeakPolarHBondContact O-CA 3.47Å; F165-Y169 VanDerWaalsContact O-CB 3.29Å; F165-Y169 WeakPolarHBondContact O-CB 3.27Å; F165-Y169 WeakPolarHBondContact O-CD2 3.3Å; F165-Y169 PolarHBondContact O-N 3.19Å; H166-Y169 PolarHBondContact O-N 3.32Å; Y169-E171 PolarHBondContact O-N 2.89Å; Y169-Q172 PolarHBondContact O-N 2.79Å; Y169-T173 VanDerWaalsContact O-CB 3.27Å; Y169-T173 WeakPolarHBondContact O-CB 3.4Å; Y169-T173 PolarHBondContact O-N 3.22Å; Y169-T173 PolarHBondContact O-OG1 3.49Å |
| 170 | D | 81.9 | Confident | 85.8 | Confident | 70 Ų | 70 | 78.9 Ų | 78.9 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.4 | -51.2 | -177.8 | -173.4 | 63.9 | 0 | 0 | 0 | 112.2 | H166 Q172 T173 R174 | H166-D170 WeakPolarHBondContact O-CB 3.32Å; H166-D170 PolarHBondContact O-N 3.03Å; D170-Q172 PolarHBondContact O-N 3.36Å; D170-T173 PolarHBondContact O-N 3.38Å; D170-R174 PolarHBondContact O-N 3.23Å; D170-R174 IonicContact OD2-CZ 3.81Å; D170-R174 IonicContact OD2-NH2 3.96Å; D170-R174 PolarHBondContact OD2-NH2 3.41Å |
| 171 | E | 79.6 | Confident | 85.8 | Confident | 150 Ų | 150 | 78.1 Ų | 78.1 | 70% | 0.701 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.6 | -45 | 178.6 | -172.4 | -179.1 | 178.8 | 0 | 0 | 111.3 | Y169 T173 R174 V175 | Y169-E171 PolarHBondContact O-N 2.89Å; E171-T173 VanDerWaalsContact C-N 3.29Å; E171-T173 PolarHBondContact O-N 3.26Å; E171-R174 PolarHBondContact O-N 3.43Å; E171-V175 WeakPolarHBondContact O-CG2 3.39Å; E171-V175 PolarHBondContact O-N 3.41Å |
| 172 | Q | 81.4 | Confident | 85.7 | Confident | 61 Ų | 61 | 74.7 Ų | 74.7 | 29% | 0.285 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 177.3 | -66.6 | -168 | -22.1 | 0 | 0 | 111.8 | Y169 D170 M176 | Y169-Q172 PolarHBondContact O-N 2.79Å; D170-Q172 PolarHBondContact O-N 3.36Å; Q172-M176 WeakPolarHBondContact O-CB 3.25Å; Q172-M176 PolarHBondContact O-N 3.28Å |
| 173 | T | 83.2 | Confident | 86 | Confident | 36 Ų | 36 | 71.6 Ų | 71.6 | 22% | 0.221 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68 | -40 | 178.6 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | Y169 D170 E171 M176 K177 | Y169-T173 VanDerWaalsContact O-CB 3.27Å; Y169-T173 WeakPolarHBondContact O-CB 3.4Å; Y169-T173 PolarHBondContact O-N 3.22Å; Y169-T173 PolarHBondContact O-OG1 3.49Å; D170-T173 PolarHBondContact O-N 3.38Å; E171-T173 VanDerWaalsContact C-N 3.29Å; E171-T173 PolarHBondContact O-N 3.26Å; T173-M176 PolarHBondContact O-N 2.78Å; T173-K177 WeakPolarHBondContact O-CG 3.07Å; T173-K177 PolarHBondContact O-N 3.26Å |
| 174 | R | 83.9 | Confident | 86.1 | Confident | 136 Ų | 136 | 66.9 Ų | 66.9 | 51% | 0.513 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.8 | -50 | 176.3 | -168.2 | -175.7 | -54.3 | 173.2 | 5.9 | 111.2 | D170 E171 M176 K177 T178 | D170-R174 PolarHBondContact O-N 3.23Å; D170-R174 IonicContact OD2-CZ 3.81Å; D170-R174 IonicContact OD2-NH2 3.96Å; D170-R174 PolarHBondContact OD2-NH2 3.41Å; E171-R174 PolarHBondContact O-N 3.43Å; R174-M176 VanDerWaalsContact C-N 3.34Å; R174-M176 PolarHBondContact O-N 3.47Å; R174-K177 PolarHBondContact O-N 3.05Å; R174-T178 PolarHBondContact O-N 3.2Å |
| 175 | V | 85.2 | Confident | 86.3 | Confident | 55 Ų | 55 | 65.2 Ų | 65.2 | 33% | 0.333 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 178.2 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | E171 K177 T178 L179 | E171-V175 WeakPolarHBondContact O-CG2 3.39Å; E171-V175 PolarHBondContact O-N 3.41Å; V175-K177 PolarHBondContact O-N 2.93Å; V175-T178 PolarHBondContact O-N 3.35Å; V175-L179 HydrophobicContact CG1-CD1 3.66Å; V175-L179 HydrophobicContact CG1-CG 4.34Å; V175-L179 WeakPolarHBondContact O-CB 3.41Å; V175-L179 WeakPolarHBondContact O-CG 3.45Å; V175-L179 PolarHBondContact O-N 3.48Å |
| 176 | M | 86.6 | Confident | 86.6 | Confident | 29 Ų | 29 | 64 Ų | 64 | 14% | 0.143 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 176.5 | -176.5 | -179.8 | 74.6 | 0 | 0 | 111.4 | V145 Q172 T173 R174 T178 L179 T180 | V145-M176 HydrophobicContact CG1-SD 4.37Å; Q172-M176 WeakPolarHBondContact O-CB 3.25Å; Q172-M176 PolarHBondContact O-N 3.28Å; T173-M176 PolarHBondContact O-N 2.78Å; R174-M176 VanDerWaalsContact C-N 3.34Å; R174-M176 PolarHBondContact O-N 3.47Å; M176-T178 PolarHBondContact O-N 2.97Å; M176-L179 PolarHBondContact O-N 3.47Å; M176-T180 VanDerWaalsContact O-CB 3.27Å; M176-T180 WeakPolarHBondContact O-CB 3.43Å; M176-T180 PolarHBondContact O-N 3.4Å; M176-T180 PolarHBondContact O-OG1 3.39Å |
| 177 | K | 87.5 | Confident | 86.9 | Confident | 132 Ų | 132 | 59.4 Ų | 59.4 | 57% | 0.574 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -57.1 | -51.1 | 178.2 | -76.5 | 173.3 | 179.4 | 178.9 | 0 | 112.2 | T173 R174 V175 T180 W181 | T173-K177 WeakPolarHBondContact O-CG 3.07Å; T173-K177 PolarHBondContact O-N 3.26Å; R174-K177 PolarHBondContact O-N 3.05Å; V175-K177 PolarHBondContact O-N 2.93Å; K177-T180 PolarHBondContact O-N 2.86Å; K177-W181 PolarHBondContact O-N 2.71Å; K177-W181 VanDerWaalsContact O-N 3.16Å |
| 178 | T | 88.8 | Confident | 87.4 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.4 | -49.8 | 178.1 | -65.3 | 0 | 0 | 0 | 0 | 111.3 | M1 R174 V175 M176 T180 W181 V182 V231 T234 | M1-T178 HydrophobicContact CE-CG2 3.9Å; R174-T178 PolarHBondContact O-N 3.2Å; V175-T178 PolarHBondContact O-N 3.35Å; M176-T178 PolarHBondContact O-N 2.97Å; T178-T180 PolarHBondContact O-N 2.72Å; T178-W181 PolarHBondContact O-N 3.18Å; T178-V182 WeakPolarHBondContact O-CG2 3.3Å; T178-V182 PolarHBondContact O-N 2.95Å; T178-V231 HydrophobicContact CG2-CG2 4.31Å; T178-T234 VanDerWaalsContact CB-OG1 3.3Å; T178-T234 WeakPolarHBondContact CB-OG1 3.3Å; T178-T234 WeakPolarHBondContact CG2-OG1 3.48Å; T178-T234 VanDerWaalsContact OG1-CB 3.26Å; T178-T234 WeakPolarHBondContact OG1-CB 3.42Å; T178-T234 PolarHBondContact OG1-OG1 3.39Å |
| 179 | L | 89 | Confident | 87.9 | Confident | 9 Ų | 9 | 51.7 Ų | 51.7 | 5% | 0.047 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.1 | -38.6 | -177.9 | -74.4 | 173.4 | 0 | 0 | 0 | 112.6 | M1 L57 R61 V175 M176 W181 V182 T183 | M1-L179 HydrophobicContact CE-CD2 3.54Å; M1-L179 HydrophobicContact CE-CG 4.12Å; L57-L179 HydrophobicContact CD1-CD2 4.08Å; L57-L179 HydrophobicContact CD2-CD2 3.85Å; R61-L179 HydrophobicContact CG-CD1 4.03Å; V175-L179 HydrophobicContact CG1-CD1 3.66Å; V175-L179 HydrophobicContact CG1-CG 4.34Å; V175-L179 WeakPolarHBondContact O-CB 3.41Å; V175-L179 WeakPolarHBondContact O-CG 3.45Å; V175-L179 PolarHBondContact O-N 3.48Å; M176-L179 PolarHBondContact O-N 3.47Å; L179-W181 VanDerWaalsContact C-N 3.35Å; L179-W181 PolarHBondContact O-N 2.86Å; L179-V182 PolarHBondContact O-N 2.92Å; L179-T183 WeakPolarHBondContact O-CB 3.42Å; L179-T183 WeakPolarHBondContact O-CG2 3.46Å; L179-T183 PolarHBondContact O-N 2.73Å; L179-T183 PolarHBondContact O-OG1 2.85Å |
| 180 | T | 90.2 | Very high | 88.4 | Confident | 30 Ų | 30 | 50.5 Ų | 50.5 | 18% | 0.184 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.2 | -47.9 | 174.6 | -67.3 | 0 | 0 | 0 | 0 | 110.8 | I146 M176 K177 T178 V182 T183 L184 | I146-T180 HydrophobicContact CD1-CG2 3.6Å; I146-T180 HydrophobicContact CG1-CG2 4.35Å; M176-T180 VanDerWaalsContact O-CB 3.27Å; M176-T180 WeakPolarHBondContact O-CB 3.43Å; M176-T180 PolarHBondContact O-N 3.4Å; M176-T180 PolarHBondContact O-OG1 3.39Å; K177-T180 PolarHBondContact O-N 2.86Å; T178-T180 PolarHBondContact O-N 2.72Å; T180-V182 PolarHBondContact O-N 2.94Å; T180-T183 WeakPolarHBondContact CA-OG1 3.35Å; T180-T183 PolarHBondContact O-N 3.4Å; T180-T183 PolarHBondContact O-OG1 3.46Å; T180-L184 VanDerWaalsContact O-CB 3.27Å; T180-L184 WeakPolarHBondContact O-CB 3.14Å; T180-L184 PolarHBondContact O-N 3.25Å |
| 181 | W | 90.7 | Very high | 88.9 | Confident | 135 Ų | 135 | 48.9 Ų | 48.9 | 51% | 0.511 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 177 | -79.1 | 115.5 | 0 | 0 | 0 | 112.4 | K177 T178 L179 L184 M185 V230 | K177-W181 PolarHBondContact O-N 2.71Å; K177-W181 VanDerWaalsContact O-N 3.16Å; T178-W181 PolarHBondContact O-N 3.18Å; L179-W181 VanDerWaalsContact C-N 3.35Å; L179-W181 PolarHBondContact O-N 2.86Å; W181-L184 HydrophobicContact CE3-CD2 4.16Å; W181-L184 HydrophobicContact CZ3-CD2 4.05Å; W181-L184 PolarHBondContact O-N 2.94Å; W181-M185 HydrophobicContact CE3-CE 4.27Å; W181-M185 HydrophobicContact CZ3-CE 4.36Å; W181-M185 WeakPolarHBondContact O-CG 3.3Å; W181-M185 PolarHBondContact O-N 3.16Å; W181-V230 HydrophobicContact CB-CG1 3.53Å |
| 182 | V | 91.5 | Very high | 89.6 | Confident | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.024 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -52.3 | 175.7 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | M4 T178 L179 T180 L184 M185 V186 V230 V231 | M4-V182 HydrophobicContact CE-CG1 4.49Å; M4-V182 HydrophobicContact SD-CG1 3.43Å; M4-V182 WeakPolarHBondContact SD-CG1 3.21Å; T178-V182 WeakPolarHBondContact O-CG2 3.3Å; T178-V182 PolarHBondContact O-N 2.95Å; L179-V182 PolarHBondContact O-N 2.92Å; T180-V182 PolarHBondContact O-N 2.94Å; V182-L184 VanDerWaalsContact C-N 3.31Å; V182-L184 PolarHBondContact O-N 3.37Å; V182-M185 PolarHBondContact O-N 3.05Å; V182-V186 HydrophobicContact CG1-CG2 4.34Å; V182-V186 VanDerWaalsContact O-CG2 3.28Å; V182-V186 WeakPolarHBondContact O-CG2 3.48Å; V182-V186 PolarHBondContact O-N 3.34Å; V182-V230 HydrophobicContact CG2-CB 4.2Å; V182-V230 HydrophobicContact CG2-CG1 3.61Å; V182-V231 HydrophobicContact CG2-CG2 4.03Å |
| 183 | T | 90.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -37.5 | -179.7 | 55.3 | 0 | 0 | 0 | 0 | 112.7 | L57 L179 T180 V186 V187 | L57-T183 HydrophobicContact CB-CG2 4.33Å; L179-T183 WeakPolarHBondContact O-CB 3.42Å; L179-T183 WeakPolarHBondContact O-CG2 3.46Å; L179-T183 PolarHBondContact O-N 2.73Å; L179-T183 PolarHBondContact O-OG1 2.85Å; T180-T183 WeakPolarHBondContact CA-OG1 3.35Å; T180-T183 PolarHBondContact O-N 3.4Å; T180-T183 PolarHBondContact O-OG1 3.46Å; T183-V186 PolarHBondContact O-N 3.19Å; T183-V187 WeakPolarHBondContact O-CB 3.31Å; T183-V187 WeakPolarHBondContact O-CG2 3.49Å; T183-V187 PolarHBondContact O-N 2.7Å |
| 184 | L | 91.3 | Very high | 90.5 | Very high | 57 Ų | 57 | 40.5 Ų | 40.5 | 30% | 0.298 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.6 | -44.6 | 178 | -177.7 | 66.2 | 0 | 0 | 0 | 111.1 | F139 T180 W181 V182 T188 | F139-L184 HydrophobicContact CD2-CD1 4.17Å; F139-L184 HydrophobicContact CE2-CD1 3.91Å; T180-L184 VanDerWaalsContact O-CB 3.27Å; T180-L184 WeakPolarHBondContact O-CB 3.14Å; T180-L184 PolarHBondContact O-N 3.25Å; W181-L184 HydrophobicContact CE3-CD2 4.16Å; W181-L184 HydrophobicContact CZ3-CD2 4.05Å; W181-L184 PolarHBondContact O-N 2.94Å; V182-L184 VanDerWaalsContact C-N 3.31Å; V182-L184 PolarHBondContact O-N 3.37Å; L184-T188 VanDerWaalsContact O-CB 3.31Å; L184-T188 WeakPolarHBondContact O-CB 3.4Å; L184-T188 PolarHBondContact O-N 2.87Å; L184-T188 PolarHBondContact O-OG1 3.41Å |
| 185 | M | 91.7 | Very high | 90.9 | Very high | 51 Ų | 51 | 36.9 Ų | 36.9 | 25% | 0.251 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.8 | -49.6 | 175.9 | -70.5 | -57 | 109.2 | 0 | 0 | 110.9 | W181 V182 V187 T188 L189 V230 | W181-M185 HydrophobicContact CE3-CE 4.27Å; W181-M185 HydrophobicContact CZ3-CE 4.36Å; W181-M185 WeakPolarHBondContact O-CG 3.3Å; W181-M185 PolarHBondContact O-N 3.16Å; V182-M185 PolarHBondContact O-N 3.05Å; M185-V187 PolarHBondContact O-N 3.2Å; M185-T188 PolarHBondContact O-N 3.35Å; M185-L189 WeakPolarHBondContact O-CB 3.29Å; M185-L189 WeakPolarHBondContact O-CG 3.46Å; M185-L189 PolarHBondContact O-N 3.38Å; M185-V230 HydrophobicContact CG-CG2 4.05Å |
| 186 | V | 92.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.9 | -49.9 | 178.8 | 175 | 0 | 0 | 0 | 0 | 111.4 | M4 A54 V182 T183 T188 L189 Q190 N223 N227 | M4-V186 HydrophobicContact CE-CG2 4.24Å; M4-V186 HydrophobicContact SD-CG2 4.36Å; A54-V186 HydrophobicContact CB-CB 4.48Å; A54-V186 HydrophobicContact CB-CG1 3.89Å; V182-V186 HydrophobicContact CG1-CG2 4.34Å; V182-V186 VanDerWaalsContact O-CG2 3.28Å; V182-V186 WeakPolarHBondContact O-CG2 3.48Å; V182-V186 PolarHBondContact O-N 3.34Å; T183-V186 PolarHBondContact O-N 3.19Å; V186-T188 PolarHBondContact O-N 2.91Å; V186-L189 PolarHBondContact O-N 3.38Å; V186-Q190 HydrophobicContact CG1-CG 4.08Å; V186-Q190 VanDerWaalsContact O-CB 3.26Å; V186-Q190 WeakPolarHBondContact O-CB 3.45Å; V186-Q190 WeakPolarHBondContact O-CG 3.35Å; V186-Q190 PolarHBondContact O-N 3.44Å; V186-N223 VanDerWaalsContact CA-OD1 3.24Å; V186-N223 WeakPolarHBondContact CA-OD1 3.35Å; V186-N223 VanDerWaalsContact CG2-OD1 3.28Å; V186-N223 WeakPolarHBondContact CG2-OD1 3.47Å; V186-N227 WeakPolarHBondContact CG2-OD1 3.29Å |
| 187 | V | 92.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.3 | -43.1 | -178.5 | 169.2 | 0 | 0 | 0 | 0 | 111.6 | A135 I138 F139 T183 M185 Q190 I191 | A135-V187 HydrophobicContact CB-CG1 4.3Å; A135-V187 VanDerWaalsContact O-CG1 3.3Å; A135-V187 WeakPolarHBondContact O-CG1 3.22Å; I138-V187 HydrophobicContact CB-CG2 3.86Å; I138-V187 HydrophobicContact CD1-CG2 4.4Å; I138-V187 HydrophobicContact CG2-CG2 3.45Å; I138-V187 VanDerWaalsContact CG2-CG2 3.45Å; F139-V187 HydrophobicContact CB-CG1 4.08Å; T183-V187 WeakPolarHBondContact O-CB 3.31Å; T183-V187 WeakPolarHBondContact O-CG2 3.49Å; T183-V187 PolarHBondContact O-N 2.7Å; M185-V187 PolarHBondContact O-N 3.2Å; V187-Q190 PolarHBondContact O-N 3.03Å; V187-I191 HydrophobicContact CG1-CD1 3.68Å; V187-I191 HydrophobicContact CG1-CG1 4.36Å; V187-I191 VanDerWaalsContact O-CG1 3.29Å; V187-I191 WeakPolarHBondContact O-CG1 3.26Å; V187-I191 PolarHBondContact O-N 3.34Å |
| 188 | T | 93 | Very high | 91.5 | Very high | 65 Ų | 65 | 29.3 Ų | 29.3 | 40% | 0.399 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.5 | -48.6 | 179.5 | -55.1 | 0 | 0 | 0 | 0 | 110.6 | L184 M185 V186 Q190 I191 V192 | L184-T188 VanDerWaalsContact O-CB 3.31Å; L184-T188 WeakPolarHBondContact O-CB 3.4Å; L184-T188 PolarHBondContact O-N 2.87Å; L184-T188 PolarHBondContact O-OG1 3.41Å; M185-T188 PolarHBondContact O-N 3.35Å; V186-T188 PolarHBondContact O-N 2.91Å; T188-Q190 VanDerWaalsContact C-N 3.35Å; T188-Q190 PolarHBondContact O-N 2.83Å; T188-I191 PolarHBondContact O-N 3.26Å; T188-V192 WeakPolarHBondContact O-CB 3.39Å; T188-V192 VanDerWaalsContact O-CG2 3.31Å; T188-V192 WeakPolarHBondContact O-CG2 3.17Å; T188-V192 PolarHBondContact O-N 3.39Å |
| 189 | L | 93.6 | Very high | 91.6 | Very high | 25 Ų | 25 | 32.2 Ų | 32.2 | 13% | 0.131 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.2 | -32.1 | 178.4 | -70.8 | 174.3 | 0 | 0 | 0 | 113 | M185 V186 G193 L222 N223 L226 | M185-L189 WeakPolarHBondContact O-CB 3.29Å; M185-L189 WeakPolarHBondContact O-CG 3.46Å; M185-L189 PolarHBondContact O-N 3.38Å; V186-L189 PolarHBondContact O-N 3.38Å; L189-G193 WeakPolarHBondContact O-CA 3.45Å; L189-G193 PolarHBondContact O-N 3.36Å; L189-L222 HydrophobicContact CD1-CG 4.33Å; L189-L222 HydrophobicContact CD2-CD2 4.03Å; L189-N223 HydrophobicContact CB-CB 4.33Å; L189-N223 VanDerWaalsContact CD1-CA 3.42Å; L189-N223 HydrophobicContact CD1-CB 3.73Å; L189-L226 HydrophobicContact CD1-CD1 4.14Å |
| 190 | Q | 92 | Very high | 91.6 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 2% | 0.023 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.2 | -43 | 173.6 | -76 | -71.2 | -33.6 | 0 | 0 | 111.9 | N47 L51 V186 V187 T188 R194 | N47-Q190 PolarHBondContact O-NE2 3.44Å; N47-Q190 PolarHBondContact OD1-NE2 3.07Å; N47-Q190 PolarHBondContact OD1-OE1 3.42Å; L51-Q190 HydrophobicContact CB-CG 4.39Å; L51-Q190 HydrophobicContact CD1-CB 4.48Å; L51-Q190 HydrophobicContact CD1-CG 4.27Å; V186-Q190 HydrophobicContact CG1-CG 4.08Å; V186-Q190 VanDerWaalsContact O-CB 3.26Å; V186-Q190 WeakPolarHBondContact O-CB 3.45Å; V186-Q190 WeakPolarHBondContact O-CG 3.35Å; V186-Q190 PolarHBondContact O-N 3.44Å; V187-Q190 PolarHBondContact O-N 3.03Å; T188-Q190 VanDerWaalsContact C-N 3.35Å; T188-Q190 PolarHBondContact O-N 2.83Å; Q190-R194 WeakPolarHBondContact O-CB 3.47Å; Q190-R194 WeakPolarHBondContact O-CD 3.44Å; Q190-R194 WeakPolarHBondContact O-CG 3.5Å; Q190-R194 PolarHBondContact O-N 3.15Å |
| 191 | I | 92.5 | Very high | 91.4 | Very high | 37 Ų | 37 | 32 Ų | 32 | 19% | 0.19 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.8 | -49.6 | 176.9 | -68 | 166.8 | 0 | 0 | 0 | 110 | A135 F136 V187 T188 R194 T195 | A135-I191 HydrophobicContact CB-CD1 4.34Å; A135-I191 HydrophobicContact CB-CG1 3.81Å; F136-I191 HydrophobicContact CD1-CD1 4.15Å; F136-I191 HydrophobicContact CE1-CD1 3.94Å; F136-I191 HydrophobicContact CE2-CD1 4.48Å; F136-I191 HydrophobicContact CZ-CD1 4.11Å; F136-I191 HydrophobicContact CZ-CG2 4.22Å; V187-I191 HydrophobicContact CG1-CD1 3.68Å; V187-I191 HydrophobicContact CG1-CG1 4.36Å; V187-I191 VanDerWaalsContact O-CG1 3.29Å; V187-I191 WeakPolarHBondContact O-CG1 3.26Å; V187-I191 PolarHBondContact O-N 3.34Å; T188-I191 PolarHBondContact O-N 3.26Å; I191-R194 PolarHBondContact O-N 3.42Å; I191-T195 WeakPolarHBondContact O-CB 3.42Å; I191-T195 PolarHBondContact O-N 3.37Å; I191-T195 PolarHBondContact O-OG1 3.05Å |
| 192 | V | 93.4 | Very high | 91.3 | Very high | 67 Ų | 67 | 31.8 Ų | 31.8 | 41% | 0.406 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.9 | -52.2 | 178 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | T188 R194 T195 L196 | T188-V192 WeakPolarHBondContact O-CB 3.39Å; T188-V192 VanDerWaalsContact O-CG2 3.31Å; T188-V192 WeakPolarHBondContact O-CG2 3.17Å; T188-V192 PolarHBondContact O-N 3.39Å; V192-R194 VanDerWaalsContact C-N 3.34Å; V192-R194 PolarHBondContact O-N 3.28Å; V192-T195 PolarHBondContact O-N 3.37Å; V192-L196 HydrophobicContact CG1-CD1 3.79Å; V192-L196 HydrophobicContact CG1-CG 4.3Å; V192-L196 VanDerWaalsContact O-CG 3.29Å; V192-L196 WeakPolarHBondContact O-CG 2.99Å; V192-L196 PolarHBondContact O-N 3.02Å |
| 193 | G | 92.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.9 | -42.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L189 L196 R197 F216 | L189-G193 WeakPolarHBondContact O-CA 3.45Å; L189-G193 PolarHBondContact O-N 3.36Å; G193-L196 PolarHBondContact O-N 3.33Å; G193-R197 WeakPolarHBondContact O-CB 3.34Å; G193-R197 PolarHBondContact O-N 2.82Å; G193-F216 VanDerWaalsContact O-CD2 3.26Å; G193-F216 WeakPolarHBondContact O-CD2 2.97Å |
| 194 | R | 91.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72 | -33.5 | 178.1 | -69.9 | 173.7 | -175.1 | -88.5 | 4.9 | 112.6 | N48 N131 M132 Q190 I191 V192 R197 L198 | N48-R194 PolarHBondContact OD1-NH2 2.97Å; N131-R194 VanDerWaalsContact CG-NH1 3.27Å; N131-R194 PolarHBondContact ND2-NH1 3.26Å; M132-R194 HydrophobicContact CG-CB 3.95Å; M132-R194 HydrophobicContact SD-CB 4.36Å; Q190-R194 WeakPolarHBondContact O-CB 3.47Å; Q190-R194 WeakPolarHBondContact O-CD 3.44Å; Q190-R194 WeakPolarHBondContact O-CG 3.5Å; Q190-R194 PolarHBondContact O-N 3.15Å; I191-R194 PolarHBondContact O-N 3.42Å; V192-R194 VanDerWaalsContact C-N 3.34Å; V192-R194 PolarHBondContact O-N 3.28Å; R194-R197 PolarHBondContact O-N 3.02Å; R194-L198 WeakPolarHBondContact O-CG 3.26Å; R194-L198 PolarHBondContact O-N 3.42Å |
| 195 | T | 92.1 | Very high | 90.7 | Very high | 60 Ų | 60 | 41.6 Ų | 41.6 | 37% | 0.368 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.2 | -48.1 | 172.5 | -55.6 | 0 | 0 | 0 | 0 | 110.4 | I191 V192 R197 L198 L199 | I191-T195 WeakPolarHBondContact O-CB 3.42Å; I191-T195 PolarHBondContact O-N 3.37Å; I191-T195 PolarHBondContact O-OG1 3.05Å; V192-T195 PolarHBondContact O-N 3.37Å; T195-R197 VanDerWaalsContact C-N 3.26Å; T195-R197 PolarHBondContact O-N 2.98Å; T195-L198 PolarHBondContact O-N 3.17Å; T195-L198 VanDerWaalsContact O-N 3.1Å; T195-L199 HydrophobicContact CG2-CD1 4.3Å; T195-L199 WeakPolarHBondContact O-CG 3.11Å; T195-L199 PolarHBondContact O-N 3.09Å |
| 196 | L | 92.4 | Very high | 90.4 | Very high | 33 Ų | 33 | 43.8 Ų | 43.8 | 17% | 0.173 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57 | -41.6 | 174.1 | -69.8 | 169.2 | 0 | 0 | 0 | 111.4 | V192 G193 L199 S200 F212 F216 | V192-L196 HydrophobicContact CG1-CD1 3.79Å; V192-L196 HydrophobicContact CG1-CG 4.3Å; V192-L196 VanDerWaalsContact O-CG 3.29Å; V192-L196 WeakPolarHBondContact O-CG 2.99Å; V192-L196 PolarHBondContact O-N 3.02Å; G193-L196 PolarHBondContact O-N 3.33Å; L196-L199 PolarHBondContact O-N 3.02Å; L196-S200 PolarHBondContact O-N 2.89Å; L196-F212 HydrophobicContact CD2-CD1 3.96Å; L196-F216 HydrophobicContact CB-CB 4.42Å |
| 197 | R | 89 | Confident | 90.1 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 2% | 0.019 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 175.4 | -172 | 173 | -179.2 | -169.7 | -5.4 | 112.7 | P114 E115 Q128 G193 R194 T195 L199 S200 L201 F216 | P114-R197 VanDerWaalsContact CG-NH2 3.3Å; E115-R197 IonicContact OE2-CZ 2.92Å; E115-R197 IonicContact OE2-NE 3.39Å; E115-R197 PolarHBondContact OE2-NE 3.19Å; E115-R197 IonicContact OE2-NH2 2.95Å; E115-R197 PolarHBondContact OE2-NH2 2.78Å; Q128-R197 VanDerWaalsContact NE2-CZ 3.32Å; G193-R197 WeakPolarHBondContact O-CB 3.34Å; G193-R197 PolarHBondContact O-N 2.82Å; R194-R197 PolarHBondContact O-N 3.02Å; T195-R197 VanDerWaalsContact C-N 3.26Å; T195-R197 PolarHBondContact O-N 2.98Å; R197-L199 VanDerWaalsContact C-N 3.35Å; R197-S200 PolarHBondContact O-N 3.47Å; R197-S200 PolarHBondContact O-OG 2.85Å; R197-L201 WeakPolarHBondContact O-CG 3.35Å; R197-L201 PolarHBondContact O-N 3.25Å; R197-F216 HydrophobicContact CB-CB 4.44Å; R197-F216 HydrophobicContact CB-CD2 4.2Å; R197-F216 HydrophobicContact CB-CG 4.2Å |
| 198 | L | 90.3 | Very high | 89.9 | Confident | 20 Ų | 20 | 51.8 Ų | 51.8 | 11% | 0.105 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.2 | -38.1 | 175.2 | -74.9 | 173.7 | 0 | 0 | 0 | 112 | Q128 M132 R194 T195 S200 L201 Q202 | Q128-L198 HydrophobicContact CB-CD1 4.34Å; Q128-L198 HydrophobicContact CB-CD2 3.89Å; Q128-L198 HydrophobicContact CB-CG 4.22Å; Q128-L198 HydrophobicContact CG-CD2 4.07Å; M132-L198 HydrophobicContact CE-CD1 3.45Å; M132-L198 VanDerWaalsContact CE-CD1 3.45Å; M132-L198 HydrophobicContact SD-CD1 3.98Å; R194-L198 WeakPolarHBondContact O-CG 3.26Å; R194-L198 PolarHBondContact O-N 3.42Å; T195-L198 PolarHBondContact O-N 3.17Å; T195-L198 VanDerWaalsContact O-N 3.1Å; L198-S200 VanDerWaalsContact C-N 3.32Å; L198-S200 PolarHBondContact O-N 2.82Å; L198-L201 PolarHBondContact O-N 2.93Å; L198-Q202 PolarHBondContact O-N 3.46Å |
| 199 | L | 91.3 | Very high | 89.6 | Confident | 67 Ų | 67 | 49.7 Ų | 49.7 | 35% | 0.351 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.7 | -35.3 | 175.1 | -69.4 | 173.8 | 0 | 0 | 0 | 112.1 | T195 L196 R197 L201 Q202 A203 F212 | T195-L199 HydrophobicContact CG2-CD1 4.3Å; T195-L199 WeakPolarHBondContact O-CG 3.11Å; T195-L199 PolarHBondContact O-N 3.09Å; L196-L199 PolarHBondContact O-N 3.02Å; R197-L199 VanDerWaalsContact C-N 3.35Å; L199-L201 VanDerWaalsContact C-N 3.31Å; L199-L201 PolarHBondContact O-N 3.35Å; L199-Q202 CarbonylContact O-C 3.54Å; L199-Q202 PolarHBondContact O-N 3.24Å; L199-A203 PolarHBondContact O-N 3.49Å; L199-A203 VanDerWaalsContact O-N 3.1Å; L199-F212 HydrophobicContact CB-CD1 4.3Å; L199-F212 HydrophobicContact CB-CD2 4.12Å; L199-F212 HydrophobicContact CB-CE1 4.46Å; L199-F212 HydrophobicContact CB-CE2 4.29Å; L199-F212 HydrophobicContact CB-CG 4.14Å; L199-F212 HydrophobicContact CB-CZ 4.46Å; L199-F212 HydrophobicContact CD1-CE1 4.28Å |
| 200 | S | 89 | Confident | 89.2 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.007 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 174.2 | 78.3 | 0 | 0 | 0 | 0 | 111 | L196 R197 L198 Q202 A203 Y209 | L196-S200 PolarHBondContact O-N 2.89Å; R197-S200 PolarHBondContact O-N 3.47Å; R197-S200 PolarHBondContact O-OG 2.85Å; L198-S200 VanDerWaalsContact C-N 3.32Å; L198-S200 PolarHBondContact O-N 2.82Å; S200-Q202 VanDerWaalsContact C-N 3.25Å; S200-Q202 PolarHBondContact O-N 3.4Å; S200-A203 VanDerWaalsContact O-CB 3.29Å; S200-A203 WeakPolarHBondContact O-CB 3.45Å; S200-A203 PolarHBondContact O-N 2.9Å; S200-Y209 VanDerWaalsContact O-CD2 3.25Å; S200-Y209 WeakPolarHBondContact O-CD2 3.35Å |
| 201 | L | 86.5 | Confident | 89.1 | Confident | 34 Ų | 34 | 55 Ų | 55 | 18% | 0.178 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.2 | -25.4 | 177.6 | -55.5 | -177.5 | 0 | 0 | 0 | 113.6 | E115 W121 V124 R197 L198 L199 | E115-L201 HydrophobicContact CB-CD1 4.43Å; E115-L201 HydrophobicContact CB-CD2 3.99Å; E115-L201 HydrophobicContact CG-CD2 3.5Å; W121-L201 HydrophobicContact CZ3-CD2 4.19Å; V124-L201 HydrophobicContact CG1-CD1 3.94Å; R197-L201 WeakPolarHBondContact O-CG 3.35Å; R197-L201 PolarHBondContact O-N 3.25Å; L198-L201 PolarHBondContact O-N 2.93Å; L199-L201 VanDerWaalsContact C-N 3.31Å; L199-L201 PolarHBondContact O-N 3.35Å |
| 202 | Q | 88.4 | Confident | 89 | Confident | 129 Ų | 129 | 56.1 Ų | 56.1 | 60% | 0.603 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 0.1 | 177.7 | -67.2 | 179.1 | -20.1 | 0 | 0 | 113 | L198 L199 S200 N204 | L198-Q202 PolarHBondContact O-N 3.46Å; L199-Q202 CarbonylContact O-C 3.54Å; L199-Q202 PolarHBondContact O-N 3.24Å; S200-Q202 VanDerWaalsContact C-N 3.25Å; S200-Q202 PolarHBondContact O-N 3.4Å; Q202-N204 PolarHBondContact O-N 3.1Å |
| 203 | A | 88 | Confident | 88.7 | Confident | 27 Ų | 27 | 53.8 Ų | 53.8 | 22% | 0.223 | 29% | 0.286 | C | S | . | . | trans | -71.8 | 129.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L199 S200 F212 | L199-A203 PolarHBondContact O-N 3.49Å; L199-A203 VanDerWaalsContact O-N 3.1Å; S200-A203 VanDerWaalsContact O-CB 3.29Å; S200-A203 WeakPolarHBondContact O-CB 3.45Å; S200-A203 PolarHBondContact O-N 2.9Å; A203-F212 HydrophobicContact CB-CD2 4.47Å | ||
| 204 | N | 85.9 | Confident | 88.5 | Confident | 168 Ų | 168 | 57.7 Ų | 57.7 | 90% | 0.898 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -81.6 | -23.3 | 178.4 | -66 | -32.9 | 0 | 0 | 0 | 113.2 | Q202 | Q202-N204 PolarHBondContact O-N 3.1Š|
| 205 | T | 87.9 | Confident | 88.5 | Confident | 75 Ų | 75 | 59.6 Ų | 59.6 | 46% | 0.46 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -112.8 | 148.3 | -178.3 | 65.8 | 0 | 0 | 0 | 0 | 110.8 | I207 S208 Y209 | T205-I207 VanDerWaalsContact C-N 3.28Å; T205-I207 PolarHBondContact O-N 2.83Å; T205-S208 PolarHBondContact O-N 3.34Å; T205-S208 VanDerWaalsContact OG1-CB 3.28Å; T205-S208 WeakPolarHBondContact OG1-CB 3.46Å; T205-S208 PolarHBondContact OG1-N 3.31Å; T205-S208 PolarHBondContact OG1-OG 2.91Å; T205-Y209 PolarHBondContact O-N 3.22Å |
| 206 | E | 83.8 | Confident | 88.4 | Confident | 96 Ų | 96 | 57.2 Ų | 57.2 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.9 | -38.1 | 177.2 | -173.8 | 170.6 | 160.3 | 0 | 0 | 112.1 | N110 R111 S208 Y209 T210 | N110-E206 PolarHBondContact ND2-OE1 3.43Å; R111-E206 IonicContact NH2-OE2 2.76Å; E206-S208 PolarHBondContact O-N 3.22Å; E206-Y209 WeakPolarHBondContact O-CB 3.41Å; E206-Y209 PolarHBondContact O-N 3.32Å; E206-T210 PolarHBondContact O-N 3.39Å; E206-T210 PolarHBondContact O-OG1 3.06Å; E206-T210 VanDerWaalsContact O-OG1 3.06Å |
| 207 | I | 87.4 | Confident | 88.2 | Confident | 126 Ų | 126 | 56.9 Ų | 56.9 | 65% | 0.646 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -59.9 | -48.8 | 177 | -61.4 | 170.9 | 0 | 0 | 0 | 110.6 | T205 T210 I211 | T205-I207 VanDerWaalsContact C-N 3.28Å; T205-I207 PolarHBondContact O-N 2.83Å; I207-T210 PolarHBondContact O-N 2.94Å; I207-I211 HydrophobicContact CG2-CD1 3.78Å; I207-I211 HydrophobicContact CG2-CG1 4.5Å; I207-I211 VanDerWaalsContact O-CG1 3.3Å; I207-I211 WeakPolarHBondContact O-CG1 3.34Å; I207-I211 PolarHBondContact O-N 3.15Å |
| 208 | S | 87.5 | Confident | 88.2 | Confident | 45 Ų | 45 | 60.9 Ų | 60.9 | 32% | 0.315 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 179.1 | -66.3 | 0 | 0 | 0 | 0 | 112 | T205 E206 T210 I211 F212 | T205-S208 PolarHBondContact O-N 3.34Å; T205-S208 VanDerWaalsContact OG1-CB 3.28Å; T205-S208 WeakPolarHBondContact OG1-CB 3.46Å; T205-S208 PolarHBondContact OG1-N 3.31Å; T205-S208 PolarHBondContact OG1-OG 2.91Å; E206-S208 PolarHBondContact O-N 3.22Å; S208-T210 PolarHBondContact O-N 3.43Å; S208-I211 PolarHBondContact O-N 3.18Å; S208-F212 WeakPolarHBondContact O-CD2 3.49Å; S208-F212 WeakPolarHBondContact O-CG 3.22Å; S208-F212 PolarHBondContact O-N 3.06Å |
| 209 | Y | 87.1 | Confident | 88.3 | Confident | 20 Ų | 20 | 60.6 Ų | 60.6 | 8% | 0.078 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.2 | -53.8 | 173.4 | 174.7 | -89.1 | 0 | 0 | 0 | 110.6 | R111 E115 S200 T205 E206 I211 F212 Y213 | R111-Y209 HydrophobicContact CB-CE1 4.07Å; R111-Y209 HydrophobicContact CG-CD1 4.28Å; R111-Y209 HydrophobicContact CG-CE1 3.92Å; R111-Y209 PolarHBondContact O-OH 3.46Å; E115-Y209 PolarHBondContact OE1-OH 2.94Å; S200-Y209 VanDerWaalsContact O-CD2 3.25Å; S200-Y209 WeakPolarHBondContact O-CD2 3.35Å; T205-Y209 PolarHBondContact O-N 3.22Å; E206-Y209 WeakPolarHBondContact O-CB 3.41Å; E206-Y209 PolarHBondContact O-N 3.32Å; Y209-I211 PolarHBondContact O-N 3.09Å; Y209-F212 PolarHBondContact O-N 3.19Å; Y209-Y213 HydrophobicContact CE1-CG 4.34Å; Y209-Y213 WeakPolarHBondContact O-CB 3.45Å; Y209-Y213 PolarHBondContact O-N 3.26Å |
| 210 | T | 85.9 | Confident | 88.1 | Confident | 46 Ų | 46 | 57.9 Ų | 57.9 | 28% | 0.282 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | -177.1 | -59.4 | 0 | 0 | 0 | 0 | 112 | E206 I207 S208 Y213 N214 | E206-T210 PolarHBondContact O-N 3.39Å; E206-T210 PolarHBondContact O-OG1 3.06Å; E206-T210 VanDerWaalsContact O-OG1 3.06Å; I207-T210 PolarHBondContact O-N 2.94Å; S208-T210 PolarHBondContact O-N 3.43Å; T210-Y213 PolarHBondContact O-N 3.18Å; T210-N214 VanDerWaalsContact O-CB 3.26Å; T210-N214 WeakPolarHBondContact O-CB 3.35Å; T210-N214 VanDerWaalsContact O-CG 3.22Å; T210-N214 PolarHBondContact O-N 3.1Å |
| 211 | I | 89 | Confident | 88.1 | Confident | 95 Ų | 95 | 60.3 Ų | 60.3 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.4 | -50.4 | 178 | -70.3 | 169.5 | 0 | 0 | 0 | 111 | I207 S208 Y209 S215 | I207-I211 HydrophobicContact CG2-CD1 3.78Å; I207-I211 HydrophobicContact CG2-CG1 4.5Å; I207-I211 VanDerWaalsContact O-CG1 3.3Å; I207-I211 WeakPolarHBondContact O-CG1 3.34Å; I207-I211 PolarHBondContact O-N 3.15Å; S208-I211 PolarHBondContact O-N 3.18Å; Y209-I211 PolarHBondContact O-N 3.09Å; I211-S215 VanDerWaalsContact O-CB 3.29Å; I211-S215 WeakPolarHBondContact O-CB 3.46Å; I211-S215 PolarHBondContact O-N 2.9Å; I211-S215 PolarHBondContact O-OG 2.84Å |
| 212 | F | 90.7 | Very high | 88.3 | Confident | 61 Ų | 61 | 62.2 Ų | 62.2 | 27% | 0.268 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.6 | -39.5 | -178.8 | -71 | -49.3 | 0 | 0 | 0 | 112.1 | L196 L199 A203 S208 Y209 S215 F216 | L196-F212 HydrophobicContact CD2-CD1 3.96Å; L199-F212 HydrophobicContact CB-CD1 4.3Å; L199-F212 HydrophobicContact CB-CD2 4.12Å; L199-F212 HydrophobicContact CB-CE1 4.46Å; L199-F212 HydrophobicContact CB-CE2 4.29Å; L199-F212 HydrophobicContact CB-CG 4.14Å; L199-F212 HydrophobicContact CB-CZ 4.46Å; L199-F212 HydrophobicContact CD1-CE1 4.28Å; A203-F212 HydrophobicContact CB-CD2 4.47Å; S208-F212 WeakPolarHBondContact O-CD2 3.49Å; S208-F212 WeakPolarHBondContact O-CG 3.22Å; S208-F212 PolarHBondContact O-N 3.06Å; Y209-F212 PolarHBondContact O-N 3.19Å; F212-S215 PolarHBondContact O-N 2.03Å; F212-F216 PolarHBondContact O-N 2.72Å |
| 213 | Y | 87.5 | Confident | 88.5 | Confident | 18 Ų | 18 | 56.3 Ų | 56.3 | 7% | 0.071 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.9 | -46.6 | 178.5 | -172.1 | -107.5 | 0 | 0 | 0 | 112.2 | C112 G113 Y209 T210 S215 F216 H217 | C112-Y213 PolarHBondContact O-OH 2.04Å; G113-Y213 WeakPolarHBondContact CA-OH 3.49Å; Y209-Y213 HydrophobicContact CE1-CG 4.34Å; Y209-Y213 WeakPolarHBondContact O-CB 3.45Å; Y209-Y213 PolarHBondContact O-N 3.26Å; T210-Y213 PolarHBondContact O-N 3.18Å; Y213-S215 VanDerWaalsContact C-N 3.32Å; Y213-S215 PolarHBondContact O-N 3.33Å; Y213-F216 WeakPolarHBondContact O-CB 3.45Å; Y213-F216 PolarHBondContact O-N 3.11Å; Y213-H217 AromaticContact CD1-CD2 3.8Å; Y213-H217 AromaticContact CD1-NE2 3.75Å; Y213-H217 AromaticContact CE1-CD2 3.54Å; Y213-H217 AromaticContact CE1-NE2 3.01Å; Y213-H217 WeakPolarHBondContact CE1-NE2 3.43Å; Y213-H217 AromaticContact CE2-NE2 3.78Å; Y213-H217 AromaticContact CZ-CD2 3.88Å; Y213-H217 AromaticContact CZ-CE1 3.96Å; Y213-H217 AromaticContact CZ-NE2 2.99Å; Y213-H217 PolarHBondContact O-CD2 3.36Å; Y213-H217 VanDerWaalsContact O-CD2 3.29Å; Y213-H217 PolarHBondContact O-N 2.88Å; Y213-H217 VanDerWaalsContact O-N 3.14Å; Y213-H217 PolarHBondContact OH-NE2 3.16Å |
| 214 | N | 87.7 | Confident | 88.5 | Confident | 84 Ų | 84 | 55.6 Ų | 55.6 | 45% | 0.449 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.5 | -37.9 | 175.3 | -71.1 | -9.5 | 0 | 0 | 0 | 111.5 | T210 F216 H217 V218 | T210-N214 VanDerWaalsContact O-CB 3.26Å; T210-N214 WeakPolarHBondContact O-CB 3.35Å; T210-N214 VanDerWaalsContact O-CG 3.22Å; T210-N214 PolarHBondContact O-N 3.1Å; N214-F216 VanDerWaalsContact C-N 3.28Å; N214-F216 PolarHBondContact O-N 3.05Å; N214-H217 WeakPolarHBondContact O-CB 3.44Å; N214-H217 PolarHBondContact O-N 3.29Å; N214-H217 VanDerWaalsContact O-N 3.09Å; N214-V218 WeakPolarHBondContact O-CG2 3.04Å; N214-V218 PolarHBondContact O-N 2.76Å |
| 215 | S | 90.6 | Very high | 88.7 | Confident | 42 Ų | 42 | 49.7 Ų | 49.7 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.8 | -34.8 | 175.4 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | I211 F212 Y213 S219 | I211-S215 VanDerWaalsContact O-CB 3.29Å; I211-S215 WeakPolarHBondContact O-CB 3.46Å; I211-S215 PolarHBondContact O-N 2.9Å; I211-S215 PolarHBondContact O-OG 2.84Å; F212-S215 PolarHBondContact O-N 2.03Å; Y213-S215 VanDerWaalsContact C-N 3.32Å; Y213-S215 PolarHBondContact O-N 3.33Å; S215-S219 WeakPolarHBondContact O-CB 3Å; S215-S219 PolarHBondContact O-N 3.14Å; S215-S219 PolarHBondContact O-OG 3.18Å |
| 216 | F | 90.3 | Very high | 88.9 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 4% | 0.039 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 171 | 157.7 | -104.6 | 0 | 0 | 0 | 111.8 | N47 G193 L196 R197 F212 Y213 N214 S219 T220 | N47-F216 WeakPolarHBondContact ND2-CE2 3.41Å; N47-F216 WeakPolarHBondContact ND2-CZ 3.46Å; G193-F216 VanDerWaalsContact O-CD2 3.26Å; G193-F216 WeakPolarHBondContact O-CD2 2.97Å; L196-F216 HydrophobicContact CB-CB 4.42Å; R197-F216 HydrophobicContact CB-CB 4.44Å; R197-F216 HydrophobicContact CB-CD2 4.2Å; R197-F216 HydrophobicContact CB-CG 4.2Å; F212-F216 PolarHBondContact O-N 2.72Å; Y213-F216 WeakPolarHBondContact O-CB 3.45Å; Y213-F216 PolarHBondContact O-N 3.11Å; N214-F216 VanDerWaalsContact C-N 3.28Å; N214-F216 PolarHBondContact O-N 3.05Å; F216-S219 WeakPolarHBondContact O-CB 3.25Å; F216-S219 PolarHBondContact O-N 3.09Å; F216-T220 PolarHBondContact O-N 3.43Å; F216-T220 PolarHBondContact O-OG1 3.39Å |
| 217 | H | 88.3 | Confident | 89.2 | Confident | 27 Ų | 27 | 44.3 Ų | 44.3 | 13% | 0.125 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 176.4 | -76.6 | -65.8 | 0 | 0 | 0 | 112.3 | Y15 Y213 N214 S219 T220 T221 | Y15-H217 HydrophobicContact CE1-CB 3.88Å; Y15-H217 AromaticContact CE1-CG 3.98Å; Y15-H217 AromaticContact CE1-ND1 3.52Å; Y15-H217 AromaticContact CZ-ND1 3.57Å; Y15-H217 WeakPolarHBondContact OH-CA 3.27Å; Y15-H217 PolarHBondContact OH-ND1 3.41Å; Y15-H217 PolarHBondContact OH-O 3.19Å; Y213-H217 AromaticContact CD1-CD2 3.8Å; Y213-H217 AromaticContact CD1-NE2 3.75Å; Y213-H217 AromaticContact CE1-CD2 3.54Å; Y213-H217 AromaticContact CE1-NE2 3.01Å; Y213-H217 WeakPolarHBondContact CE1-NE2 3.43Å; Y213-H217 AromaticContact CE2-NE2 3.78Å; Y213-H217 AromaticContact CZ-CD2 3.88Å; Y213-H217 AromaticContact CZ-CE1 3.96Å; Y213-H217 AromaticContact CZ-NE2 2.99Å; Y213-H217 PolarHBondContact O-CD2 3.36Å; Y213-H217 VanDerWaalsContact O-CD2 3.29Å; Y213-H217 PolarHBondContact O-N 2.88Å; Y213-H217 VanDerWaalsContact O-N 3.14Å; Y213-H217 PolarHBondContact OH-NE2 3.16Å; N214-H217 WeakPolarHBondContact O-CB 3.44Å; N214-H217 PolarHBondContact O-N 3.29Å; N214-H217 VanDerWaalsContact O-N 3.09Å; H217-S219 VanDerWaalsContact C-N 3.29Å; H217-S219 PolarHBondContact O-N 3.37Å; H217-T220 WeakPolarHBondContact O-CB 3.48Å; H217-T220 PolarHBondContact O-N 2.89Å; H217-T220 VanDerWaalsContact O-N 3.09Å; H217-T221 PolarHBondContact O-N 2.95Å; H217-T221 PolarHBondContact O-OG1 3.35Å |
| 218 | V | 89.9 | Confident | 89.3 | Confident | 89 Ų | 89 | 43.3 Ų | 43.3 | 54% | 0.539 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.6 | -40.7 | 174 | 172.9 | 0 | 0 | 0 | 0 | 111 | N214 T220 T221 L222 | N214-V218 WeakPolarHBondContact O-CG2 3.04Å; N214-V218 PolarHBondContact O-N 2.76Å; V218-T220 VanDerWaalsContact C-N 3.27Å; V218-T220 PolarHBondContact O-N 3.37Å; V218-T221 WeakPolarHBondContact CA-OG1 3.43Å; V218-T221 PolarHBondContact O-N 2.88Å; V218-T221 PolarHBondContact O-OG1 3.15Å; V218-L222 WeakPolarHBondContact O-CB 3.28Å; V218-L222 PolarHBondContact O-N 3.43Å |
| 219 | S | 90.8 | Very high | 89.4 | Confident | 14 Ų | 14 | 46.9 Ų | 46.9 | 10% | 0.098 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.3 | -36.8 | 176.1 | -59.7 | 0 | 0 | 0 | 0 | 112 | S215 F216 H217 N223 | S215-S219 WeakPolarHBondContact O-CB 3Å; S215-S219 PolarHBondContact O-N 3.14Å; S215-S219 PolarHBondContact O-OG 3.18Å; F216-S219 WeakPolarHBondContact O-CB 3.25Å; F216-S219 PolarHBondContact O-N 3.09Å; H217-S219 VanDerWaalsContact C-N 3.29Å; H217-S219 PolarHBondContact O-N 3.37Å; S219-N223 WeakPolarHBondContact O-CB 3.45Å; S219-N223 PolarHBondContact O-N 2.88Å |
| 220 | T | 88.5 | Confident | 89.6 | Confident | 9 Ų | 9 | 46.9 Ų | 46.9 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72 | -42.2 | 179.2 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | T11 Y15 N47 F216 H217 V218 N223 A224 | T11-T220 HydrophobicContact CG2-CG2 4.18Å; Y15-T220 HydrophobicContact CE2-CG2 4.05Å; Y15-T220 WeakPolarHBondContact OH-CB 3.01Å; N47-T220 HydrophobicContact CB-CG2 4.31Å; F216-T220 PolarHBondContact O-N 3.43Å; F216-T220 PolarHBondContact O-OG1 3.39Å; H217-T220 WeakPolarHBondContact O-CB 3.48Å; H217-T220 PolarHBondContact O-N 2.89Å; H217-T220 VanDerWaalsContact O-N 3.09Å; V218-T220 VanDerWaalsContact C-N 3.27Å; V218-T220 PolarHBondContact O-N 3.37Å; T220-N223 WeakPolarHBondContact O-CB 3.31Å; T220-N223 PolarHBondContact O-N 3.02Å; T220-A224 PolarHBondContact O-N 2.69Å |
| 221 | T | 88.8 | Confident | 89.7 | Confident | 53 Ų | 53 | 45.6 Ų | 45.6 | 33% | 0.325 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.8 | -40.7 | 175.6 | 54.5 | 0 | 0 | 0 | 0 | 111.4 | Y15 H217 V218 N223 A224 A225 | Y15-T221 HydrophobicContact CD1-CG2 3.68Å; Y15-T221 HydrophobicContact CD2-CG2 3.54Å; Y15-T221 HydrophobicContact CE1-CG2 3.78Å; Y15-T221 HydrophobicContact CE2-CG2 3.67Å; Y15-T221 HydrophobicContact CG-CG2 3.54Å; H217-T221 PolarHBondContact O-N 2.95Å; H217-T221 PolarHBondContact O-OG1 3.35Å; V218-T221 WeakPolarHBondContact CA-OG1 3.43Å; V218-T221 PolarHBondContact O-N 2.88Å; V218-T221 PolarHBondContact O-OG1 3.15Å; T221-N223 PolarHBondContact O-N 3.48Å; T221-A224 PolarHBondContact O-N 3.43Å; T221-A225 PolarHBondContact O-N 3.18Å |
| 222 | L | 91.5 | Very high | 89.7 | Confident | 74 Ų | 74 | 41.9 Ų | 41.9 | 39% | 0.387 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.6 | -35.6 | 175 | -173.6 | 64.6 | 0 | 0 | 0 | 111.4 | L189 V218 A225 L226 | L189-L222 HydrophobicContact CD1-CG 4.33Å; L189-L222 HydrophobicContact CD2-CD2 4.03Å; V218-L222 WeakPolarHBondContact O-CB 3.28Å; V218-L222 PolarHBondContact O-N 3.43Å; L222-A225 PolarHBondContact O-N 3.1Å; L222-L226 HydrophobicContact CD1-CD1 3.99Å; L222-L226 HydrophobicContact CD1-CD2 4.21Å; L222-L226 HydrophobicContact CD1-CG 3.77Å; L222-L226 HydrophobicContact CD2-CD1 4.18Å; L222-L226 HydrophobicContact CG-CD1 3.72Å; L222-L226 HydrophobicContact CG-CG 3.92Å; L222-L226 VanDerWaalsContact O-CB 3.3Å; L222-L226 WeakPolarHBondContact O-CB 3.03Å; L222-L226 VanDerWaalsContact O-CG 3.3Å; L222-L226 WeakPolarHBondContact O-CG 3.38Å; L222-L226 PolarHBondContact O-N 3.5Å |
| 223 | N | 91.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 175.2 | -178.6 | 58.3 | 0 | 0 | 0 | 112.1 | V186 L189 S219 T220 T221 N227 | V186-N223 VanDerWaalsContact CA-OD1 3.24Å; V186-N223 WeakPolarHBondContact CA-OD1 3.35Å; V186-N223 VanDerWaalsContact CG2-OD1 3.28Å; V186-N223 WeakPolarHBondContact CG2-OD1 3.47Å; L189-N223 HydrophobicContact CB-CB 4.33Å; L189-N223 VanDerWaalsContact CD1-CA 3.42Å; L189-N223 HydrophobicContact CD1-CB 3.73Å; S219-N223 WeakPolarHBondContact O-CB 3.45Å; S219-N223 PolarHBondContact O-N 2.88Å; T220-N223 WeakPolarHBondContact O-CB 3.31Å; T220-N223 PolarHBondContact O-N 3.02Å; T221-N223 PolarHBondContact O-N 3.48Å; N223-N227 PolarHBondContact O-N 3.06Å; N223-N227 PolarHBondContact O-ND2 3.42Å |
| 224 | A | 88.4 | Confident | 89.6 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 11% | 0.107 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D8 T11 T220 T221 | D8-A224 HydrophobicContact CB-CB 3.95Å; T11-A224 HydrophobicContact CG2-CB 4.26Å; T220-A224 PolarHBondContact O-N 2.69Å; T221-A224 PolarHBondContact O-N 3.43Å |
| 225 | A | 90.3 | Very high | 89.6 | Confident | 44 Ų | 44 | 43.6 Ų | 43.6 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.1 | -46.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | T221 L222 N227 F228 F229 | T221-A225 PolarHBondContact O-N 3.18Å; L222-A225 PolarHBondContact O-N 3.1Å; A225-N227 VanDerWaalsContact C-N 3.31Å; A225-N227 PolarHBondContact O-N 3.25Å; A225-F228 WeakPolarHBondContact O-CB 3.29Å; A225-F228 PolarHBondContact O-N 2.88Å; A225-F229 WeakPolarHBondContact O-CD2 3.46Å; A225-F229 PolarHBondContact O-N 2.76Å |
| 226 | L | 92.1 | Very high | 89.4 | Confident | 53 Ų | 53 | 43.7 Ų | 43.7 | 28% | 0.277 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.7 | -32.7 | -178.8 | -71.7 | -176.8 | 0 | 0 | 0 | 112.3 | L189 L222 F228 F229 V230 | L189-L226 HydrophobicContact CD1-CD1 4.14Å; L222-L226 HydrophobicContact CD1-CD1 3.99Å; L222-L226 HydrophobicContact CD1-CD2 4.21Å; L222-L226 HydrophobicContact CD1-CG 3.77Å; L222-L226 HydrophobicContact CD2-CD1 4.18Å; L222-L226 HydrophobicContact CG-CD1 3.72Å; L222-L226 HydrophobicContact CG-CG 3.92Å; L222-L226 VanDerWaalsContact O-CB 3.3Å; L222-L226 WeakPolarHBondContact O-CB 3.03Å; L222-L226 VanDerWaalsContact O-CG 3.3Å; L222-L226 WeakPolarHBondContact O-CG 3.38Å; L222-L226 PolarHBondContact O-N 3.5Å; L226-F228 VanDerWaalsContact C-N 3.29Å; L226-F228 PolarHBondContact O-N 3.47Å; L226-F229 PolarHBondContact O-N 3.24Å; L226-V230 WeakPolarHBondContact O-CB 3.22Å; L226-V230 VanDerWaalsContact O-CG2 3.3Å; L226-V230 WeakPolarHBondContact O-CG2 3.15Å; L226-V230 PolarHBondContact O-N 3.43Å |
| 227 | N | 90.7 | Very high | 89.1 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57 | -43.9 | 173.7 | -76.8 | -13.8 | 0 | 0 | 0 | 111.8 | D8 V186 N223 A225 V230 V231 | D8-N227 PolarHBondContact OD1-ND2 3Å; D8-N227 VanDerWaalsContact OD2-CB 3.27Å; D8-N227 WeakPolarHBondContact OD2-CB 3.25Å; D8-N227 PolarHBondContact OD2-ND2 3.02Å; V186-N227 WeakPolarHBondContact CG2-OD1 3.29Å; N223-N227 PolarHBondContact O-N 3.06Å; N223-N227 PolarHBondContact O-ND2 3.42Å; A225-N227 VanDerWaalsContact C-N 3.31Å; A225-N227 PolarHBondContact O-N 3.25Å; N227-V230 PolarHBondContact O-N 2.63Å; N227-V231 VanDerWaalsContact O-CG2 3.3Å; N227-V231 WeakPolarHBondContact O-CG2 3.31Å; N227-V231 PolarHBondContact O-N 2.92Å |
| 228 | F | 88.9 | Confident | 89 | Confident | 105 Ų | 105 | 49.3 Ų | 49.3 | 46% | 0.461 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.8 | -49.9 | 174.6 | 173.6 | -92.8 | 0 | 0 | 0 | 111.7 | A225 L226 V230 V231 A232 F238 | A225-F228 WeakPolarHBondContact O-CB 3.29Å; A225-F228 PolarHBondContact O-N 2.88Å; L226-F228 VanDerWaalsContact C-N 3.29Å; L226-F228 PolarHBondContact O-N 3.47Å; F228-V230 PolarHBondContact O-N 3.41Å; F228-V231 PolarHBondContact O-N 2.79Å; F228-A232 WeakPolarHBondContact O-CB 3.03Å; F228-A232 PolarHBondContact O-N 3.22Å; F228-F238 HydrophobicContact CD2-CZ 4.18Å; F228-F238 HydrophobicContact CE2-CE1 4.13Å; F228-F238 AromaticContact CE2-CZ 3.79Å; F228-F238 HydrophobicContact CE2-CZ 3.79Å |
| 229 | F | 90.4 | Very high | 88.9 | Confident | 120 Ų | 120 | 49.9 Ų | 49.9 | 53% | 0.526 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | -179.4 | -71.3 | -67.6 | 0 | 0 | 0 | 112.8 | A225 L226 V231 A232 L233 | A225-F229 WeakPolarHBondContact O-CD2 3.46Å; A225-F229 PolarHBondContact O-N 2.76Å; L226-F229 PolarHBondContact O-N 3.24Å; F229-V231 VanDerWaalsContact C-N 3.34Å; F229-V231 PolarHBondContact O-N 2.83Å; F229-A232 PolarHBondContact O-N 3.44Å; F229-L233 WeakPolarHBondContact O-CB 3.24Å; F229-L233 VanDerWaalsContact O-CG 3.25Å; F229-L233 WeakPolarHBondContact O-CG 3.35Å; F229-L233 PolarHBondContact O-N 3.24Å |
| 230 | V | 90 | Very high | 88.7 | Confident | 21 Ų | 21 | 51.9 Ų | 51.9 | 13% | 0.127 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 176.2 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | W181 V182 M185 L226 N227 F228 L233 T234 | W181-V230 HydrophobicContact CB-CG1 3.53Å; V182-V230 HydrophobicContact CG2-CB 4.2Å; V182-V230 HydrophobicContact CG2-CG1 3.61Å; M185-V230 HydrophobicContact CG-CG2 4.05Å; L226-V230 WeakPolarHBondContact O-CB 3.22Å; L226-V230 VanDerWaalsContact O-CG2 3.3Å; L226-V230 WeakPolarHBondContact O-CG2 3.15Å; L226-V230 PolarHBondContact O-N 3.43Å; N227-V230 PolarHBondContact O-N 2.63Å; F228-V230 PolarHBondContact O-N 3.41Å; V230-L233 PolarHBondContact O-N 2.93Å; V230-T234 HydrophobicContact CG1-CG2 4.39Å; V230-T234 WeakPolarHBondContact O-CB 3.18Å; V230-T234 WeakPolarHBondContact O-CG2 3.37Å; V230-T234 PolarHBondContact O-N 3.39Å; V230-T234 PolarHBondContact O-OG1 2.95Å |
| 231 | V | 88.6 | Confident | 88.6 | Confident | 18 Ų | 18 | 53.4 Ų | 53.4 | 11% | 0.109 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 177.9 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | M1 T178 V182 N227 F228 F229 L233 T234 S235 F238 | M1-V231 HydrophobicContact CE-CG2 4.46Å; M1-V231 HydrophobicContact SD-CG2 4.34Å; T178-V231 HydrophobicContact CG2-CG2 4.31Å; V182-V231 HydrophobicContact CG2-CG2 4.03Å; N227-V231 VanDerWaalsContact O-CG2 3.3Å; N227-V231 WeakPolarHBondContact O-CG2 3.31Å; N227-V231 PolarHBondContact O-N 2.92Å; F228-V231 PolarHBondContact O-N 2.79Å; F229-V231 VanDerWaalsContact C-N 3.34Å; F229-V231 PolarHBondContact O-N 2.83Å; V231-L233 PolarHBondContact O-N 3.33Å; V231-T234 PolarHBondContact O-N 3.09Å; V231-S235 WeakPolarHBondContact O-CA 3.44Å; V231-S235 WeakPolarHBondContact O-CB 3.45Å; V231-S235 PolarHBondContact O-N 3.23Å; V231-F238 HydrophobicContact CG1-CB 3.96Å; V231-F238 HydrophobicContact CG1-CD1 3.84Å; V231-F238 HydrophobicContact CG1-CD2 4.15Å; V231-F238 HydrophobicContact CG1-CE1 4.3Å; V231-F238 HydrophobicContact CG1-CG 3.72Å |
| 232 | A | 88 | Confident | 88.5 | Confident | 18 Ų | 18 | 52.8 Ų | 52.8 | 15% | 0.149 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.6 | -43.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F228 F229 F238 R239 | F228-A232 WeakPolarHBondContact O-CB 3.03Å; F228-A232 PolarHBondContact O-N 3.22Å; F229-A232 PolarHBondContact O-N 3.44Å; A232-F238 HydrophobicContact CB-CD1 4.3Å; A232-F238 HydrophobicContact CB-CE1 4.06Å; A232-R239 VanDerWaalsContact O-CD 3.29Å; A232-R239 WeakPolarHBondContact O-CD 3.32Å; A232-R239 WeakPolarHBondContact O-CG 3.33Å; A232-R239 PolarHBondContact O-NH1 3.03Å |
| 233 | L | 89 | Confident | 88.2 | Confident | 137 Ų | 137 | 57.2 Ų | 57.2 | 72% | 0.717 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -78.8 | -31.1 | -176.7 | -68 | 173.3 | 0 | 0 | 0 | 113.1 | F229 V230 V231 R239 | F229-L233 WeakPolarHBondContact O-CB 3.24Å; F229-L233 VanDerWaalsContact O-CG 3.25Å; F229-L233 WeakPolarHBondContact O-CG 3.35Å; F229-L233 PolarHBondContact O-N 3.24Å; V230-L233 PolarHBondContact O-N 2.93Å; V231-L233 PolarHBondContact O-N 3.33Å; L233-R239 VanDerWaalsContact C-NH1 3.28Å; L233-R239 PolarHBondContact O-NH1 3.02Å |
| 234 | T | 87.1 | Confident | 88 | Confident | 44 Ų | 44 | 64.2 Ų | 64.2 | 27% | 0.27 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -103.8 | -28.8 | -172 | 63.3 | 0 | 0 | 0 | 0 | 113.9 | T178 V230 V231 | T178-T234 VanDerWaalsContact CB-OG1 3.3Å; T178-T234 WeakPolarHBondContact CB-OG1 3.3Å; T178-T234 WeakPolarHBondContact CG2-OG1 3.48Å; T178-T234 VanDerWaalsContact OG1-CB 3.26Å; T178-T234 WeakPolarHBondContact OG1-CB 3.42Å; T178-T234 PolarHBondContact OG1-OG1 3.39Å; V230-T234 HydrophobicContact CG1-CG2 4.39Å; V230-T234 WeakPolarHBondContact O-CB 3.18Å; V230-T234 WeakPolarHBondContact O-CG2 3.37Å; V230-T234 PolarHBondContact O-N 3.39Å; V230-T234 PolarHBondContact O-OG1 2.95Å; V231-T234 PolarHBondContact O-N 3.09Å |
| 235 | S | 87.6 | Confident | 87.8 | Confident | 18 Ų | 18 | 69.2 Ų | 69.2 | 13% | 0.126 | 37% | 0.369 | C | S | . | . | trans | -93.1 | 110.2 | -176.6 | -178.2 | 0 | 0 | 0 | 0 | 112 | V231 S237 F238 R239 | V231-S235 WeakPolarHBondContact O-CA 3.44Å; V231-S235 WeakPolarHBondContact O-CB 3.45Å; V231-S235 PolarHBondContact O-N 3.23Å; S235-S237 VanDerWaalsContact C-N 3.34Å; S235-S237 PolarHBondContact OG-OG 2.96Å; S235-S237 VanDerWaalsContact OG-OG 3.06Å; S235-F238 PolarHBondContact O-N 3.36Å; S235-F238 PolarHBondContact OG-N 3.5Å; S235-R239 PolarHBondContact O-N 2.99Å; S235-R239 VanDerWaalsContact O-N 3.11Å | ||
| 236 | A | 86.1 | Confident | 87.5 | Confident | 43 Ų | 43 | 75.2 Ų | 75.2 | 36% | 0.355 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R239 A240 | A236-R239 PolarHBondContact O-N 3.46Å; A236-A240 PolarHBondContact O-N 3.26Å |
| 237 | S | 85.3 | Confident | 86.7 | Confident | 94 Ų | 94 | 77.7 Ų | 77.7 | 66% | 0.657 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66.1 | -40.7 | 178.3 | 50.9 | 0 | 0 | 0 | 0 | 111.6 | S235 A240 A241 | S235-S237 VanDerWaalsContact C-N 3.34Å; S235-S237 PolarHBondContact OG-OG 2.96Å; S235-S237 VanDerWaalsContact OG-OG 3.06Å; S237-A240 PolarHBondContact O-N 3.06Å; S237-A241 PolarHBondContact O-N 3.31Å |
| 238 | F | 85.7 | Confident | 85.5 | Confident | 61 Ų | 61 | 85.3 Ų | 85.3 | 27% | 0.268 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 176.6 | -176 | -104.4 | 0 | 0 | 0 | 111.9 | F228 V231 A232 S235 A240 A241 L242 | F228-F238 HydrophobicContact CD2-CZ 4.18Å; F228-F238 HydrophobicContact CE2-CE1 4.13Å; F228-F238 AromaticContact CE2-CZ 3.79Å; F228-F238 HydrophobicContact CE2-CZ 3.79Å; V231-F238 HydrophobicContact CG1-CB 3.96Å; V231-F238 HydrophobicContact CG1-CD1 3.84Å; V231-F238 HydrophobicContact CG1-CD2 4.15Å; V231-F238 HydrophobicContact CG1-CE1 4.3Å; V231-F238 HydrophobicContact CG1-CG 3.72Å; A232-F238 HydrophobicContact CB-CD1 4.3Å; A232-F238 HydrophobicContact CB-CE1 4.06Å; S235-F238 PolarHBondContact O-N 3.36Å; S235-F238 PolarHBondContact OG-N 3.5Å; F238-A240 VanDerWaalsContact C-N 3.31Å; F238-A240 PolarHBondContact O-N 3.31Å; F238-A241 PolarHBondContact O-N 3.05Å; F238-L242 HydrophobicContact CD1-CD1 3.73Å; F238-L242 HydrophobicContact CD1-CG 4.1Å; F238-L242 HydrophobicContact CE1-CD1 3.3Å; F238-L242 HydrophobicContact CE1-CD2 4.31Å; F238-L242 HydrophobicContact CE1-CG 3.77Å; F238-L242 HydrophobicContact CZ-CD1 3.94Å; F238-L242 HydrophobicContact CZ-CD2 4.1Å; F238-L242 HydrophobicContact CZ-CG 3.98Å; F238-L242 WeakPolarHBondContact O-CG 3.46Å; F238-L242 PolarHBondContact O-N 3.48Å |
| 239 | R | 86.9 | Confident | 84.1 | Confident | 100 Ų | 100 | 84.4 Ų | 84.4 | 38% | 0.377 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.2 | -38.1 | 172.7 | -73 | -164.9 | -61 | -91.8 | 6.3 | 113 | A232 L233 S235 A236 R243 | A232-R239 VanDerWaalsContact O-CD 3.29Å; A232-R239 WeakPolarHBondContact O-CD 3.32Å; A232-R239 WeakPolarHBondContact O-CG 3.33Å; A232-R239 PolarHBondContact O-NH1 3.03Å; L233-R239 VanDerWaalsContact C-NH1 3.28Å; L233-R239 PolarHBondContact O-NH1 3.02Å; S235-R239 PolarHBondContact O-N 2.99Å; S235-R239 VanDerWaalsContact O-N 3.11Å; A236-R239 PolarHBondContact O-N 3.46Å; R239-R243 WeakPolarHBondContact O-CB 3.3Å; R239-R243 VanDerWaalsContact O-CG 3.3Å; R239-R243 WeakPolarHBondContact O-CG 3.34Å; R239-R243 PolarHBondContact O-N 3.06Å |
| 240 | A | 87.3 | Confident | 82.5 | Confident | 56 Ų | 56 | 83.8 Ų | 83.8 | 46% | 0.463 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A236 S237 F238 R243 E244 | A236-A240 PolarHBondContact O-N 3.26Å; S237-A240 PolarHBondContact O-N 3.06Å; F238-A240 VanDerWaalsContact C-N 3.31Å; F238-A240 PolarHBondContact O-N 3.31Å; A240-R243 WeakPolarHBondContact O-CB 3.28Å; A240-R243 PolarHBondContact O-N 3.41Å; A240-E244 PolarHBondContact O-N 2.83Å |
| 241 | A | 86.9 | Confident | 80.9 | Confident | 41 Ų | 41 | 88 Ų | 88 | 34% | 0.339 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S237 F238 R243 E244 I245 | S237-A241 PolarHBondContact O-N 3.31Å; F238-A241 PolarHBondContact O-N 3.05Å; A241-R243 VanDerWaalsContact C-N 3.3Å; A241-R243 PolarHBondContact O-N 3.43Å; A241-E244 WeakPolarHBondContact O-CB 2.98Å; A241-E244 PolarHBondContact O-N 3.32Å; A241-I245 WeakPolarHBondContact O-CG1 3.5Å; A241-I245 PolarHBondContact O-N 3.22Å |
| 242 | L | 85.6 | Confident | 79.3 | Confident | 40 Ų | 40 | 92.7 Ų | 92.7 | 21% | 0.209 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 174 | -78.3 | -179.7 | 0 | 0 | 0 | 111.7 | F238 E244 I245 F246 | F238-L242 HydrophobicContact CD1-CD1 3.73Å; F238-L242 HydrophobicContact CD1-CG 4.1Å; F238-L242 HydrophobicContact CE1-CD1 3.3Å; F238-L242 HydrophobicContact CE1-CD2 4.31Å; F238-L242 HydrophobicContact CE1-CG 3.77Å; F238-L242 HydrophobicContact CZ-CD1 3.94Å; F238-L242 HydrophobicContact CZ-CD2 4.1Å; F238-L242 HydrophobicContact CZ-CG 3.98Å; F238-L242 WeakPolarHBondContact O-CG 3.46Å; F238-L242 PolarHBondContact O-N 3.48Å; L242-E244 VanDerWaalsContact C-N 3.34Å; L242-I245 PolarHBondContact O-N 3.33Å; L242-F246 HydrophobicContact CD2-CD2 4.29Å; L242-F246 HydrophobicContact CD2-CE2 3.96Å; L242-F246 WeakPolarHBondContact O-CB 3.26Å; L242-F246 WeakPolarHBondContact O-CD2 3.48Å; L242-F246 PolarHBondContact O-N 3.33Å |
| 243 | R | 86.9 | Confident | 77.8 | Confident | 167 Ų | 167 | 96.2 Ų | 96.2 | 63% | 0.63 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.5 | -42.6 | 174.7 | -76.8 | 178.5 | -179.2 | -163 | -1.4 | 111 | R239 A240 A241 I245 I247 | R239-R243 WeakPolarHBondContact O-CB 3.3Å; R239-R243 VanDerWaalsContact O-CG 3.3Å; R239-R243 WeakPolarHBondContact O-CG 3.34Å; R239-R243 PolarHBondContact O-N 3.06Å; A240-R243 WeakPolarHBondContact O-CB 3.28Å; A240-R243 PolarHBondContact O-N 3.41Å; A241-R243 VanDerWaalsContact C-N 3.3Å; A241-R243 PolarHBondContact O-N 3.43Å; R243-I245 VanDerWaalsContact C-N 3.29Å; R243-I245 PolarHBondContact O-N 2.71Å; R243-I247 HydrophobicContact CB-CD1 4.16Å; R243-I247 HydrophobicContact CG-CD1 3.96Å; R243-I247 CarbonylContact O-C 3.6Å; R243-I247 WeakPolarHBondContact O-CA 3.34Å; R243-I247 WeakPolarHBondContact O-CB 3.26Å; R243-I247 PolarHBondContact O-N 2.98Å |
| 244 | E | 86.6 | Confident | 76.5 | Confident | 152 Ų | 152 | 94.6 Ų | 94.6 | 71% | 0.71 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.2 | -36 | 177.8 | -170.5 | 176.8 | 179.5 | 0 | 0 | 112.9 | A240 A241 L242 | A240-E244 PolarHBondContact O-N 2.83Å; A241-E244 WeakPolarHBondContact O-CB 2.98Å; A241-E244 PolarHBondContact O-N 3.32Å; L242-E244 VanDerWaalsContact C-N 3.34Å |
| 245 | I | 84.6 | Confident | 74.9 | Confident | 117 Ų | 117 | 105.9 Ų | 105.9 | 60% | 0.6 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -74.2 | -48.9 | 178.1 | -65.2 | 166 | 0 | 0 | 0 | 111.7 | A241 L242 R243 | A241-I245 WeakPolarHBondContact O-CG1 3.5Å; A241-I245 PolarHBondContact O-N 3.22Å; L242-I245 PolarHBondContact O-N 3.33Å; R243-I245 VanDerWaalsContact C-N 3.29Å; R243-I245 PolarHBondContact O-N 2.71Å |
| 246 | F | 82.7 | Confident | 74.3 | Confident | 170 Ų | 170 | 110.3 Ų | 110.3 | 75% | 0.746 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -87.6 | -34.4 | -173.3 | -77.3 | -72.2 | 0 | 0 | 0 | 113.5 | L242 | L242-F246 HydrophobicContact CD2-CD2 4.29Å; L242-F246 HydrophobicContact CD2-CE2 3.96Å; L242-F246 WeakPolarHBondContact O-CB 3.26Å; L242-F246 WeakPolarHBondContact O-CD2 3.48Å; L242-F246 PolarHBondContact O-N 3.33Å |
| 247 | I | 76.2 | Confident | 73.7 | Confident | 105 Ų | 105 | 113.8 Ų | 113.8 | 54% | 0.538 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -100.9 | 71.5 | 169 | -42.9 | 173.6 | 0 | 0 | 0 | 104.4 | R243 S249 | R243-I247 HydrophobicContact CB-CD1 4.16Å; R243-I247 HydrophobicContact CG-CD1 3.96Å; R243-I247 CarbonylContact O-C 3.6Å; R243-I247 WeakPolarHBondContact O-CA 3.34Å; R243-I247 WeakPolarHBondContact O-CB 3.26Å; R243-I247 PolarHBondContact O-N 2.98Å; I247-S249 PolarHBondContact O-N 3.44Å |
| 248 | Q | 64.5 | Low | 73 | Confident | 165 Ų | 165 | 114.9 Ų | 114.9 | 77% | 0.771 | 61% | 0.606 | S | S | * | * | trans | -55.4 | 96.5 | 153.3 | -81.9 | -174.2 | -18.2 | 0 | 0 | 104.7 | S250 | Q248-S250 PolarHBondContact O-N 2.9Š| ||
| 249 | S | 59.9 | Low | 72.3 | Confident | 86 Ų | 86 | 118.1 Ų | 118.1 | 60% | 0.601 | 63% | 0.626 | S | S | * | * | trans | -63.6 | 104.7 | 161.8 | 56.2 | 0 | 0 | 0 | 0 | 102.9 | I247 V251 | I247-S249 PolarHBondContact O-N 3.44Å; S249-V251 PolarHBondContact O-N 3.13Å | ||
| 250 | S | 56 | Low | 71.3 | Confident | 106 Ų | 106 | 119.3 Ų | 119.3 | 74% | 0.741 | 64% | 0.642 | S | S | * | * | trans | -62.3 | 58.5 | 157.9 | 49.3 | 0 | 0 | 0 | 0 | 108.1 | Q248 V252 | Q248-S250 PolarHBondContact O-N 2.9Å; S250-V252 PolarHBondContact O-N 3.22Å | ||
| 251 | V | 57.4 | Low | 70.3 | Confident | 110 Ų | 110 | 123.5 Ų | 123.5 | 67% | 0.667 | 65% | 0.654 | S | S | * | * | trans | -75.6 | 73.7 | 150.8 | -168 | 0 | 0 | 0 | 0 | 103.8 | S249 S253 | S249-V251 PolarHBondContact O-N 3.13Å; V251-S253 PolarHBondContact O-N 3.28Å | ||
| 252 | V | 54.3 | Low | 69.1 | Low | 117 Ų | 117 | 129.4 Ų | 129.4 | 71% | 0.709 | 68% | 0.676 | S | S | * | * | trans | -51.6 | 110.2 | 141 | -176.8 | 0 | 0 | 0 | 0 | 102.6 | S250 P254 | S250-V252 PolarHBondContact O-N 3.22Å; V252-P254 WeakPolarHBondContact O-CD 3.22Å | ||
| 253 | S | 57 | Low | 67.8 | Low | 91 Ų | 91 | 136.2 Ų | 136.2 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | trans | -54 | 113.6 | 167.1 | 56.4 | 0 | 0 | 0 | 0 | 105.1 | V251 F255 | V251-S253 PolarHBondContact O-N 3.28Å; S253-F255 PolarHBondContact O-N 2.87Å | ||
| 254 | P | 62.1 | Low | 66.2 | Low | 104 Ų | 104 | 133.7 Ų | 133.7 | 68% | 0.675 | 72% | 0.719 | S | S | * | * | trans | -63 | 129.3 | 161.2 | 31.1 | -28.6 | 0 | 0 | 0 | 103.4 | V252 | V252-P254 WeakPolarHBondContact O-CD 3.22Š| ||
| 255 | F | 53.4 | Low | 64.4 | Low | 281 Ų | 281 | 132 Ų | 132 | 100% | 1.232 | 72% | 0.72 | S | S | * | * | trans | -10.6 | 0 | 156.2 | -59.2 | -86.5 | 0 | 0 | 0 | 114.9 | S253 | S253-F255 PolarHBondContact O-N 2.87Š|
Retrieved 255 of 255 residues in 77.7 ms
(Link to these results)