| 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 | 46.9 | Very low | 79.9 | Confident | 160 Ų | 160 | 68.5 Ų | 68.5 | 79% | 0.788 | 37% | 0.372 | S | S | * | . | 0 | 101.1 | 0 | -136.5 | -178.4 | -102.2 | 0 | 0 | 106.1 | V3 | M1-V3 PolarHBondContact O-N 2.86Š| |||
| 2 | I | 59.5 | Low | 80.9 | Confident | 160 Ų | 160 | 64.4 Ų | 64.4 | 82% | 0.821 | 35% | 0.347 | S | S | * | . | trans | -79 | 108.8 | -179.4 | -59.8 | 168.2 | 0 | 0 | 0 | 106.3 | ||||
| 3 | V | 72 | Confident | 81.7 | Confident | 61 Ų | 61 | 59.6 Ų | 59.6 | 37% | 0.37 | 32% | 0.322 | S | S | . | . | trans | -70.8 | 124.6 | 176 | -176 | 0 | 0 | 0 | 0 | 107 | M1 L5 A8 Y12 I285 | M1-V3 PolarHBondContact O-N 2.86Å; V3-L5 PolarHBondContact O-N 3.22Å; V3-A8 HydrophobicContact CG1-CB 3.5Å; V3-A8 VanDerWaalsContact CG1-CB 3.5Å; V3-Y12 HydrophobicContact CG1-CE2 4.46Å; V3-I285 HydrophobicContact CG1-CD1 3.77Å; V3-I285 HydrophobicContact CG1-CG1 4.41Å | ||
| 4 | P | 79.4 | Confident | 82.5 | Confident | 16 Ų | 16 | 66.1 Ų | 66.1 | 10% | 0.104 | 34% | 0.341 | C | S | . | . | trans | -67.6 | 109.4 | -178.4 | 26.4 | -33.3 | 0 | 0 | 0 | 110.3 | N6 V7 A8 H278 I282 I285 | P4-N6 PolarHBondContact O-N 3.09Å; P4-V7 PolarHBondContact O-N 3.04Å; P4-V7 VanDerWaalsContact O-N 3.1Å; P4-A8 WeakPolarHBondContact O-CB 3.45Å; P4-A8 PolarHBondContact O-N 3.3Å; P4-H278 WeakPolarHBondContact CB-CE1 3.41Å; P4-I282 HydrophobicContact CG-CG1 3.88Å; P4-I285 HydrophobicContact CG-CD1 4.16Å | ||
| 5 | L | 82.3 | Confident | 83.2 | Confident | 62 Ų | 62 | 66.7 Ų | 66.7 | 33% | 0.325 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.9 | -33.5 | -173.6 | -164.9 | 66.2 | 0 | 0 | 0 | 112.5 | V3 V7 A8 L9 Y69 Y74 | V3-L5 PolarHBondContact O-N 3.22Å; L5-V7 PolarHBondContact O-N 2.74Å; L5-V7 VanDerWaalsContact O-N 3.16Å; L5-A8 PolarHBondContact O-N 2.84Å; L5-L9 VanDerWaalsContact O-CB 3.23Å; L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 PolarHBondContact O-N 3.27Å; L5-Y69 HydrophobicContact CD1-CD1 4.34Å; L5-Y69 HydrophobicContact CD1-CE1 4.13Å; L5-Y74 HydrophobicContact CD1-CD1 4.5Å; L5-Y74 HydrophobicContact CD1-CG 4.3Å; L5-Y74 HydrophobicContact CD2-CD2 3.83Å; L5-Y74 HydrophobicContact CD2-CE2 3.91Å; L5-Y74 HydrophobicContact CD2-CG 4.43Å |
| 6 | N | 85.7 | Confident | 83.8 | Confident | 150 Ų | 150 | 62.7 Ų | 62.7 | 80% | 0.802 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -57.2 | -31.6 | 177.8 | -62 | -17 | 0 | 0 | 0 | 113.6 | P4 P10 | P4-N6 PolarHBondContact O-N 3.09Å; N6-P10 VanDerWaalsContact O-CD 3.24Å; N6-P10 WeakPolarHBondContact O-CD 3.23Å; N6-P10 WeakPolarHBondContact O-CG 3.35Å |
| 7 | V | 88.3 | Confident | 84.4 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -101 | -36.4 | 177.9 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | P4 L5 P10 C11 I282 I285 | P4-V7 PolarHBondContact O-N 3.04Å; P4-V7 VanDerWaalsContact O-N 3.1Å; L5-V7 PolarHBondContact O-N 2.74Å; L5-V7 VanDerWaalsContact O-N 3.16Å; V7-P10 WeakPolarHBondContact O-CD 3.47Å; V7-P10 WeakPolarHBondContact O-CG 3.48Å; V7-C11 WeakPolarHBondContact O-CB 3.39Å; V7-C11 PolarHBondContact O-N 2.78Å; V7-C11 PolarHBondContact O-SG 3.49Å; V7-I282 HydrophobicContact CG1-CG2 4.37Å; V7-I282 HydrophobicContact CG2-CD1 4.33Å; V7-I282 HydrophobicContact CG2-CG1 4.2Å; V7-I285 HydrophobicContact CG1-CD1 4.44Å; V7-I285 HydrophobicContact CG1-CG2 4.44Å |
| 8 | A | 88.7 | Confident | 85 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.8 | -35.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V3 P4 L5 C11 Y12 Y69 I285 | V3-A8 HydrophobicContact CG1-CB 3.5Å; V3-A8 VanDerWaalsContact CG1-CB 3.5Å; P4-A8 WeakPolarHBondContact O-CB 3.45Å; P4-A8 PolarHBondContact O-N 3.3Å; L5-A8 PolarHBondContact O-N 2.84Å; A8-C11 PolarHBondContact O-N 3.27Å; A8-Y12 HydrophobicContact CB-CD2 3.78Å; A8-Y12 HydrophobicContact CB-CE2 4.28Å; A8-Y12 WeakPolarHBondContact O-CA 3.43Å; A8-Y12 VanDerWaalsContact O-CB 3.25Å; A8-Y12 WeakPolarHBondContact O-CB 3.39Å; A8-Y12 PolarHBondContact O-N 3.28Å; A8-Y69 HydrophobicContact CB-CE1 3.75Å; A8-I285 HydrophobicContact CB-CD1 4.17Å |
| 9 | L | 90.4 | Very high | 85.4 | Confident | 39 Ų | 39 | 61.2 Ų | 61.2 | 20% | 0.204 | 32% | 0.318 | C | S | . | . | I | π-helix | trans | -63.3 | -53 | 179 | -168.9 | 70.4 | 0 | 0 | 0 | 112.6 | L5 C11 G13 Y14 Y69 Y74 | L5-L9 VanDerWaalsContact O-CB 3.23Å; L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 PolarHBondContact O-N 3.27Å; L9-C11 PolarHBondContact O-N 2.97Å; L9-G13 WeakPolarHBondContact O-CA 3.2Å; L9-G13 PolarHBondContact O-N 2.87Å; L9-Y14 HydrophobicContact CG-CE2 4.22Å; L9-Y14 WeakPolarHBondContact O-CD2 3.11Å; L9-Y69 HydrophobicContact CD1-CD1 4.48Å; L9-Y74 HydrophobicContact CD1-CD1 4.33Å; L9-Y74 HydrophobicContact CD1-CE1 3.68Å |
| 10 | P | 92.8 | Very high | 85.9 | Confident | 56 Ų | 56 | 58.2 Ų | 58.2 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | I | π-helix | trans | -60.9 | -43.8 | 175.3 | 21.1 | -30.7 | 0 | 0 | 0 | 112.2 | N6 V7 Y14 I15 | N6-P10 VanDerWaalsContact O-CD 3.24Å; N6-P10 WeakPolarHBondContact O-CD 3.23Å; N6-P10 WeakPolarHBondContact O-CG 3.35Å; V7-P10 WeakPolarHBondContact O-CD 3.47Å; V7-P10 WeakPolarHBondContact O-CG 3.48Å; P10-Y14 PolarHBondContact O-N 2.76Å; P10-I15 WeakPolarHBondContact O-CG1 3.48Å; P10-I15 PolarHBondContact O-N 2.76Å; P10-I15 VanDerWaalsContact O-N 3.13Å |
| 11 | C | 92.7 | Very high | 86.3 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 8% | 0.081 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -70.9 | -57.8 | -177.1 | -67.7 | 0 | 0 | 0 | 0 | 113.2 | V7 A8 L9 I15 I16 I285 V289 | V7-C11 WeakPolarHBondContact O-CB 3.39Å; V7-C11 PolarHBondContact O-N 2.78Å; V7-C11 PolarHBondContact O-SG 3.49Å; A8-C11 PolarHBondContact O-N 3.27Å; L9-C11 PolarHBondContact O-N 2.97Å; C11-I15 WeakPolarHBondContact O-CB 3.4Å; C11-I15 PolarHBondContact O-N 3.41Å; C11-I16 WeakPolarHBondContact O-CB 3.45Å; C11-I16 VanDerWaalsContact O-CG1 3.25Å; C11-I16 WeakPolarHBondContact O-CG1 3.41Å; C11-I16 PolarHBondContact O-N 3.46Å; C11-I285 HydrophobicContact CB-CG2 3.6Å; C11-V289 HydrophobicContact CB-CG2 3.85Å |
| 12 | Y | 92.3 | Very high | 88.6 | Confident | 19 Ų | 19 | 56.4 Ų | 56.4 | 8% | 0.075 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -83.2 | -29.4 | -175.7 | -64.1 | -45.9 | 0 | 0 | 0 | 113.9 | V3 A8 I16 P17 F65 Y69 I285 N288 | V3-Y12 HydrophobicContact CG1-CE2 4.46Å; A8-Y12 HydrophobicContact CB-CD2 3.78Å; A8-Y12 HydrophobicContact CB-CE2 4.28Å; A8-Y12 WeakPolarHBondContact O-CA 3.43Å; A8-Y12 VanDerWaalsContact O-CB 3.25Å; A8-Y12 WeakPolarHBondContact O-CB 3.39Å; A8-Y12 PolarHBondContact O-N 3.28Å; Y12-I16 HydrophobicContact CD1-CG1 3.92Å; Y12-I16 HydrophobicContact CE1-CG1 4.47Å; Y12-P17 VanDerWaalsContact O-CD 3.26Å; Y12-P17 WeakPolarHBondContact O-CD 3.24Å; Y12-F65 AromaticContact CD1-CD1 3.97Å; Y12-F65 HydrophobicContact CD1-CD1 3.97Å; Y12-F65 AromaticContact CD1-CE1 3.52Å; Y12-F65 HydrophobicContact CD1-CE1 3.52Å; Y12-F65 HydrophobicContact CD1-CE2 4.27Å; Y12-F65 AromaticContact CD1-CZ 3.7Å; Y12-F65 HydrophobicContact CD1-CZ 3.7Å; Y12-F65 HydrophobicContact CD2-CE1 4.19Å; Y12-F65 AromaticContact CE1-CE1 3.85Å; Y12-F65 HydrophobicContact CE1-CE1 3.85Å; Y12-F65 AromaticContact CE1-CZ 3.74Å; Y12-F65 HydrophobicContact CE1-CZ 3.74Å; Y12-F65 HydrophobicContact CE2-CE1 4.42Å; Y12-F65 AromaticContact CG-CD1 3.94Å; Y12-F65 HydrophobicContact CG-CD1 3.94Å; Y12-F65 AromaticContact CG-CE1 3.75Å; Y12-F65 HydrophobicContact CG-CE1 3.75Å; Y12-F65 HydrophobicContact CG-CZ 4.39Å; Y12-Y69 VanDerWaalsContact CB-CD2 3.5Å; Y12-Y69 HydrophobicContact CD2-CD2 4.49Å; Y12-Y69 HydrophobicContact CD2-CE1 4.33Å; Y12-Y69 AromaticContact CD2-CE2 3.8Å; Y12-Y69 HydrophobicContact CD2-CE2 3.8Å; Y12-Y69 AromaticContact CD2-CZ 3.69Å; Y12-Y69 HydrophobicContact CG-CD2 4.36Å; Y12-Y69 HydrophobicContact CG-CE2 4.05Å; Y12-I285 HydrophobicContact CE1-CG2 4.33Å; Y12-I285 HydrophobicContact CE2-CB 4.44Å; Y12-I285 HydrophobicContact CE2-CD1 4.43Å; Y12-I285 HydrophobicContact CE2-CG1 3.8Å; Y12-I285 HydrophobicContact CE2-CG2 4.06Å; Y12-N288 HydrophobicContact CE1-CB 4.4Å; Y12-N288 PolarHBondContact OH-ND2 3Å |
| 13 | G | 91 | Very high | 90.3 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -82.1 | -31.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | L9 Y69 T70 | L9-G13 WeakPolarHBondContact O-CA 3.2Å; L9-G13 PolarHBondContact O-N 2.87Å; G13-Y69 VanDerWaalsContact CA-CB 3.48Å; G13-T70 PolarHBondContact O-OG1 2.64Å |
| 14 | Y | 92.6 | Very high | 91.3 | Very high | 150 Ų | 150 | 47.2 Ų | 47.2 | 59% | 0.588 | 25% | 0.25 | S | C | * | . | I | π-helix | trans | -123 | -52.9 | -174.1 | -57 | -84.5 | 0 | 0 | 0 | 113.1 | L9 P10 I18 | L9-Y14 HydrophobicContact CG-CE2 4.22Å; L9-Y14 WeakPolarHBondContact O-CD2 3.11Å; P10-Y14 PolarHBondContact O-N 2.76Å; Y14-I18 WeakPolarHBondContact O-CD1 3.33Å; Y14-I18 WeakPolarHBondContact O-CG1 3.36Å |
| 15 | I | 93.9 | Very high | 92.1 | Very high | 75 Ų | 75 | 50.9 Ų | 50.9 | 39% | 0.385 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -68.7 | -53.1 | -174.2 | -64 | 171.1 | 0 | 0 | 0 | 111 | P10 C11 I18 V19 V289 | P10-I15 WeakPolarHBondContact O-CG1 3.48Å; P10-I15 PolarHBondContact O-N 2.76Å; P10-I15 VanDerWaalsContact O-N 3.13Å; C11-I15 WeakPolarHBondContact O-CB 3.4Å; C11-I15 PolarHBondContact O-N 3.41Å; I15-I18 PolarHBondContact O-N 3.22Å; I15-V19 HydrophobicContact CG2-CG2 3.87Å; I15-V19 WeakPolarHBondContact O-CB 3.28Å; I15-V19 VanDerWaalsContact O-CG2 3.23Å; I15-V19 WeakPolarHBondContact O-CG2 3.47Å; I15-V19 PolarHBondContact O-N 3.07Å; I15-V289 HydrophobicContact CG2-CG1 3.91Å |
| 16 | I | 92.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.015 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.5 | -46.3 | -175.1 | -76.7 | -79.7 | 0 | 0 | 0 | 112.8 | C11 Y12 I18 V19 V20 F65 V289 V292 | C11-I16 WeakPolarHBondContact O-CB 3.45Å; C11-I16 VanDerWaalsContact O-CG1 3.25Å; C11-I16 WeakPolarHBondContact O-CG1 3.41Å; C11-I16 PolarHBondContact O-N 3.46Å; Y12-I16 HydrophobicContact CD1-CG1 3.92Å; Y12-I16 HydrophobicContact CE1-CG1 4.47Å; I16-I18 VanDerWaalsContact C-N 3.32Å; I16-I18 PolarHBondContact O-N 2.88Å; I16-V19 PolarHBondContact O-N 3.49Å; I16-V20 HydrophobicContact CG2-CG2 3.99Å; I16-V20 WeakPolarHBondContact O-CB 3.34Å; I16-V20 VanDerWaalsContact O-CG2 3.27Å; I16-V20 WeakPolarHBondContact O-CG2 3.4Å; I16-V20 PolarHBondContact O-N 3.25Å; I16-F65 HydrophobicContact CG2-CD2 3.54Å; I16-F65 HydrophobicContact CG2-CE2 3.9Å; I16-F65 HydrophobicContact CG2-CG 4.26Å; I16-V289 HydrophobicContact CD1-CB 4.35Å; I16-V289 HydrophobicContact CD1-CG2 3.94Å; I16-V289 HydrophobicContact CG1-CG2 3.93Å; I16-V292 HydrophobicContact CD1-CB 4.37Å; I16-V292 HydrophobicContact CD1-CG2 4.25Å |
| 17 | P | 94.1 | Very high | 93.1 | Very high | 20 Ų | 20 | 41.6 Ų | 41.6 | 13% | 0.13 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.4 | -44 | 177.6 | -29.5 | 36.9 | 0 | 0 | 0 | 113.4 | Y12 L21 L62 L66 | Y12-P17 VanDerWaalsContact O-CD 3.26Å; Y12-P17 WeakPolarHBondContact O-CD 3.24Å; P17-L21 WeakPolarHBondContact O-CB 3.23Å; P17-L21 PolarHBondContact O-N 2.99Å; P17-L62 HydrophobicContact CB-CD2 4.4Å; P17-L66 HydrophobicContact CB-CD2 4.12Å; P17-L66 HydrophobicContact CG-CD2 4.2Å |
| 18 | I | 94.2 | Very high | 93.5 | Very high | 113 Ų | 113 | 42.2 Ų | 42.2 | 58% | 0.579 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -65.1 | -47.7 | 177.4 | -62.7 | 170.4 | 0 | 0 | 0 | 110.2 | Y14 I15 I16 V20 L21 V22 | Y14-I18 WeakPolarHBondContact O-CD1 3.33Å; Y14-I18 WeakPolarHBondContact O-CG1 3.36Å; I15-I18 PolarHBondContact O-N 3.22Å; I16-I18 VanDerWaalsContact C-N 3.32Å; I16-I18 PolarHBondContact O-N 2.88Å; I18-V20 PolarHBondContact O-N 3.05Å; I18-L21 WeakPolarHBondContact O-CB 3.43Å; I18-L21 PolarHBondContact O-N 3.12Å; I18-V22 WeakPolarHBondContact O-CG2 3.36Å; I18-V22 PolarHBondContact O-N 2.77Å |
| 19 | V | 93.7 | Very high | 93.7 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 16% | 0.164 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | -178.4 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | I15 I16 V22 T23 V292 A293 | I15-V19 HydrophobicContact CG2-CG2 3.87Å; I15-V19 WeakPolarHBondContact O-CB 3.28Å; I15-V19 VanDerWaalsContact O-CG2 3.23Å; I15-V19 WeakPolarHBondContact O-CG2 3.47Å; I15-V19 PolarHBondContact O-N 3.07Å; I16-V19 PolarHBondContact O-N 3.49Å; V19-V22 PolarHBondContact O-N 2.94Å; V19-T23 WeakPolarHBondContact O-CB 3.43Å; V19-T23 PolarHBondContact O-N 3.45Å; V19-T23 PolarHBondContact O-OG1 2.97Å; V19-V292 HydrophobicContact CB-CG1 4.46Å; V19-V292 VanDerWaalsContact CG1-C 3.44Å; V19-V292 HydrophobicContact CG1-CB 4.01Å; V19-V292 HydrophobicContact CG1-CG1 3.68Å; V19-V292 WeakPolarHBondContact CG1-O 3.32Å; V19-A293 VanDerWaalsContact CG1-CA 3.45Å; V19-A293 HydrophobicContact CG1-CB 4.09Å |
| 20 | V | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.7 | -40.9 | 175 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | I16 I18 V22 T23 V24 G58 L62 V292 | I16-V20 HydrophobicContact CG2-CG2 3.99Å; I16-V20 WeakPolarHBondContact O-CB 3.34Å; I16-V20 VanDerWaalsContact O-CG2 3.27Å; I16-V20 WeakPolarHBondContact O-CG2 3.4Å; I16-V20 PolarHBondContact O-N 3.25Å; I18-V20 PolarHBondContact O-N 3.05Å; V20-V22 VanDerWaalsContact C-N 3.31Å; V20-V22 PolarHBondContact O-N 2.99Å; V20-T23 CarbonylContact O-C 3.59Å; V20-T23 WeakPolarHBondContact O-CB 3.48Å; V20-T23 PolarHBondContact O-N 3.42Å; V20-T23 VanDerWaalsContact O-N 3.15Å; V20-V24 HydrophobicContact CG1-CG2 3.97Å; V20-V24 VanDerWaalsContact O-CG2 3.29Å; V20-V24 WeakPolarHBondContact O-CG2 3.18Å; V20-V24 PolarHBondContact O-N 3.4Å; V20-G58 VanDerWaalsContact CG1-C 3.49Å; V20-L62 HydrophobicContact CB-CD1 4.06Å; V20-L62 HydrophobicContact CB-CD2 3.88Å; V20-L62 HydrophobicContact CB-CG 3.96Å; V20-L62 HydrophobicContact CG1-CD1 3.38Å; V20-L62 HydrophobicContact CG1-CD2 4.08Å; V20-L62 HydrophobicContact CG1-CG 3.57Å; V20-L62 HydrophobicContact CG2-CD2 4.19Å; V20-L62 HydrophobicContact CG2-CG 4.3Å; V20-V292 HydrophobicContact CB-CG1 4.44Å; V20-V292 HydrophobicContact CG2-CG1 3.65Å |
| 21 | L | 94.4 | Very high | 94.1 | Very high | 112 Ų | 112 | 41.4 Ų | 41.4 | 59% | 0.586 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -56.5 | -47.6 | 175.3 | 177 | 63.9 | 0 | 0 | 0 | 111 | P17 I18 T23 V24 V25 | P17-L21 WeakPolarHBondContact O-CB 3.23Å; P17-L21 PolarHBondContact O-N 2.99Å; I18-L21 WeakPolarHBondContact O-CB 3.43Å; I18-L21 PolarHBondContact O-N 3.12Å; L21-T23 PolarHBondContact O-N 3.06Å; L21-V24 PolarHBondContact O-N 3.19Å; L21-V25 HydrophobicContact CD1-CG2 4.48Å; L21-V25 WeakPolarHBondContact O-CG2 3.35Å; L21-V25 PolarHBondContact O-N 2.96Å |
| 22 | V | 95.1 | Very high | 94.2 | Very high | 69 Ų | 69 | 45.2 Ų | 45.2 | 42% | 0.418 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.1 | -48 | 174.8 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | I18 V19 V20 V24 V25 T26 P296 | I18-V22 WeakPolarHBondContact O-CG2 3.36Å; I18-V22 PolarHBondContact O-N 2.77Å; V19-V22 PolarHBondContact O-N 2.94Å; V20-V22 VanDerWaalsContact C-N 3.31Å; V20-V22 PolarHBondContact O-N 2.99Å; V22-V24 VanDerWaalsContact C-N 3.32Å; V22-V24 PolarHBondContact O-N 3.33Å; V22-V25 PolarHBondContact O-N 2.92Å; V22-T26 HydrophobicContact CG1-CG2 4.21Å; V22-T26 WeakPolarHBondContact O-CG2 3.35Å; V22-T26 PolarHBondContact O-N 3.26Å; V22-T26 PolarHBondContact O-OG1 2.95Å; V22-T26 VanDerWaalsContact O-OG1 3.07Å; V22-P296 HydrophobicContact CB-CG 4.46Å; V22-P296 HydrophobicContact CG1-CB 3.93Å; V22-P296 HydrophobicContact CG1-CG 3.79Å |
| 23 | T | 94.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.6 | -42.3 | 178.6 | -66.4 | 0 | 0 | 0 | 0 | 112.8 | V19 V20 L21 T26 N27 V292 C295 P296 | V19-T23 WeakPolarHBondContact O-CB 3.43Å; V19-T23 PolarHBondContact O-N 3.45Å; V19-T23 PolarHBondContact O-OG1 2.97Å; V20-T23 CarbonylContact O-C 3.59Å; V20-T23 WeakPolarHBondContact O-CB 3.48Å; V20-T23 PolarHBondContact O-N 3.42Å; V20-T23 VanDerWaalsContact O-N 3.15Å; L21-T23 PolarHBondContact O-N 3.06Å; T23-T26 WeakPolarHBondContact CA-OG1 3.46Å; T23-T26 PolarHBondContact O-OG1 2.8Å; T23-T26 VanDerWaalsContact O-OG1 3.1Å; T23-N27 WeakPolarHBondContact CG2-ND2 3.42Å; T23-N27 VanDerWaalsContact O-CB 3.28Å; T23-N27 WeakPolarHBondContact O-CB 3.48Å; T23-N27 PolarHBondContact O-N 3.16Å; T23-N27 PolarHBondContact O-ND2 3.1Å; T23-V292 PolarHBondContact OG1-O 3.21Å; T23-C295 HydrophobicContact CG2-CB 4.01Å; T23-C295 VanDerWaalsContact CG2-SG 3.58Å; T23-P296 WeakPolarHBondContact OG1-CD 3.48Å; T23-P296 WeakPolarHBondContact OG1-CG 3.49Å |
| 24 | V | 94.8 | Very high | 94.4 | Very high | 26 Ų | 26 | 44.7 Ų | 44.7 | 16% | 0.158 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66 | -46.3 | 177.6 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | V20 L21 V22 T28 M55 L59 | V20-V24 HydrophobicContact CG1-CG2 3.97Å; V20-V24 VanDerWaalsContact O-CG2 3.29Å; V20-V24 WeakPolarHBondContact O-CG2 3.18Å; V20-V24 PolarHBondContact O-N 3.4Å; L21-V24 PolarHBondContact O-N 3.19Å; V22-V24 VanDerWaalsContact C-N 3.32Å; V22-V24 PolarHBondContact O-N 3.33Å; V24-T28 WeakPolarHBondContact O-CB 3.37Å; V24-T28 PolarHBondContact O-N 3.04Å; V24-T28 PolarHBondContact O-OG1 3.04Å; V24-M55 HydrophobicContact CG1-CG 4.37Å; V24-M55 HydrophobicContact CG2-CG 4.27Å; V24-L59 HydrophobicContact CG1-CD2 4.36Å; V24-L59 HydrophobicContact CG2-CD1 4.38Å; V24-L59 HydrophobicContact CG2-CD2 3.64Å; V24-L59 HydrophobicContact CG2-CG 3.67Å |
| 25 | V | 94.8 | Very high | 94.4 | Very high | 93 Ų | 93 | 41 Ų | 41 | 56% | 0.564 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -60.9 | -48.3 | 177.5 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | L21 V22 T28 L29 | L21-V25 HydrophobicContact CD1-CG2 4.48Å; L21-V25 WeakPolarHBondContact O-CG2 3.35Å; L21-V25 PolarHBondContact O-N 2.96Å; V22-V25 PolarHBondContact O-N 2.92Å; V25-T28 PolarHBondContact O-N 2.93Å; V25-L29 PolarHBondContact O-N 2.79Å |
| 26 | T | 94.8 | Very high | 94.4 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 10% | 0.104 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66 | -43.5 | -178.4 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | V22 T23 L29 I30 P296 L299 | V22-T26 HydrophobicContact CG1-CG2 4.21Å; V22-T26 WeakPolarHBondContact O-CG2 3.35Å; V22-T26 PolarHBondContact O-N 3.26Å; V22-T26 PolarHBondContact O-OG1 2.95Å; V22-T26 VanDerWaalsContact O-OG1 3.07Å; T23-T26 WeakPolarHBondContact CA-OG1 3.46Å; T23-T26 PolarHBondContact O-OG1 2.8Å; T23-T26 VanDerWaalsContact O-OG1 3.1Å; T26-L29 PolarHBondContact O-N 3.13Å; T26-I30 VanDerWaalsContact O-CG1 3.31Å; T26-I30 WeakPolarHBondContact O-CG1 3.44Å; T26-I30 PolarHBondContact O-N 3.47Å; T26-P296 HydrophobicContact CG2-CB 4.1Å; T26-L299 HydrophobicContact CG2-CB 4.46Å; T26-L299 HydrophobicContact CG2-CD2 3.77Å |
| 27 | N | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -73.3 | -28.1 | 178.5 | -79.1 | -47.4 | 0 | 0 | 0 | 113 | T23 I30 T31 E54 M55 C295 | T23-N27 WeakPolarHBondContact CG2-ND2 3.42Å; T23-N27 VanDerWaalsContact O-CB 3.28Å; T23-N27 WeakPolarHBondContact O-CB 3.48Å; T23-N27 PolarHBondContact O-N 3.16Å; T23-N27 PolarHBondContact O-ND2 3.1Å; N27-I30 PolarHBondContact O-N 2.86Å; N27-T31 VanDerWaalsContact O-CB 3.22Å; N27-T31 WeakPolarHBondContact O-CB 3.2Å; N27-T31 PolarHBondContact O-N 2.88Å; N27-T31 PolarHBondContact O-OG1 3Å; N27-E54 PolarHBondContact OD1-OE2 3.07Å; N27-M55 HydrophobicContact CB-CB 3.95Å; N27-C295 PolarHBondContact ND2-SG 2.81Å |
| 28 | T | 95.3 | Very high | 93.9 | Very high | 51 Ų | 51 | 52 Ų | 52 | 31% | 0.313 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 169.3 | -60.9 | 0 | 0 | 0 | 0 | 110 | V24 V25 I30 T31 I32 | V24-T28 WeakPolarHBondContact O-CB 3.37Å; V24-T28 PolarHBondContact O-N 3.04Å; V24-T28 PolarHBondContact O-OG1 3.04Å; V25-T28 PolarHBondContact O-N 2.93Å; T28-I30 PolarHBondContact O-N 2.85Å; T28-T31 WeakPolarHBondContact O-CB 3.44Å; T28-T31 PolarHBondContact O-N 2.79Å; T28-I32 HydrophobicContact CG2-CD1 3.84Å; T28-I32 HydrophobicContact CG2-CG1 4.42Å; T28-I32 VanDerWaalsContact O-CG1 3.27Å; T28-I32 WeakPolarHBondContact O-CG1 3.4Å; T28-I32 PolarHBondContact O-N 3.28Å |
| 29 | L | 94.4 | Very high | 93.6 | Very high | 50 Ų | 50 | 46.9 Ų | 46.9 | 26% | 0.262 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 175.8 | -179.8 | 62.7 | 0 | 0 | 0 | 112 | V25 T26 T31 I32 V33 L299 | V25-L29 PolarHBondContact O-N 2.79Å; T26-L29 PolarHBondContact O-N 3.13Å; L29-T31 VanDerWaalsContact C-N 3.33Å; L29-T31 PolarHBondContact O-N 3.42Å; L29-I32 PolarHBondContact O-N 2.84Å; L29-V33 HydrophobicContact CD1-CG2 4.1Å; L29-V33 HydrophobicContact CG-CG2 4.43Å; L29-V33 WeakPolarHBondContact O-CB 3.45Å; L29-V33 VanDerWaalsContact O-CG2 3.24Å; L29-V33 WeakPolarHBondContact O-CG2 3.44Å; L29-V33 PolarHBondContact O-N 3.26Å; L29-L299 HydrophobicContact CD2-CD1 4.03Å; L29-L299 HydrophobicContact CD2-CD2 3.87Å; L29-L299 HydrophobicContact CG-CD1 4.45Å |
| 30 | I | 94.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.1 | -48 | 175.6 | -67.8 | 161.9 | 0 | 0 | 0 | 110.3 | T26 N27 T28 I32 V33 L34 A51 N298 L299 Y302 F309 | T26-I30 VanDerWaalsContact O-CG1 3.31Å; T26-I30 WeakPolarHBondContact O-CG1 3.44Å; T26-I30 PolarHBondContact O-N 3.47Å; N27-I30 PolarHBondContact O-N 2.86Å; T28-I30 PolarHBondContact O-N 2.85Å; I30-I32 PolarHBondContact O-N 3.5Å; I30-V33 PolarHBondContact O-N 3.49Å; I30-L34 HydrophobicContact CG2-CD1 3.56Å; I30-L34 HydrophobicContact CG2-CG 4.18Å; I30-L34 WeakPolarHBondContact O-CB 3.25Å; I30-L34 WeakPolarHBondContact O-CG 3.32Å; I30-L34 PolarHBondContact O-N 2.72Å; I30-A51 HydrophobicContact CB-CB 4.19Å; I30-A51 HydrophobicContact CG2-CB 3.69Å; I30-N298 HydrophobicContact CD1-CB 4.35Å; I30-L299 HydrophobicContact CD1-CB 3.92Å; I30-L299 HydrophobicContact CG1-CB 4.18Å; I30-L299 HydrophobicContact CG1-CD1 3.84Å; I30-Y302 HydrophobicContact CD1-CD2 3.8Å; I30-Y302 HydrophobicContact CD1-CE2 3.87Å; I30-Y302 HydrophobicContact CG1-CD2 3.96Å; I30-Y302 HydrophobicContact CG1-CE2 4.34Å; I30-Y302 HydrophobicContact CG2-CD2 4.2Å; I30-Y302 HydrophobicContact CG2-CE2 4.07Å; I30-F309 HydrophobicContact CG1-CZ 4.3Å |
| 31 | T | 95.7 | Very high | 93.2 | Very high | 28 Ų | 28 | 53.2 Ų | 53.2 | 17% | 0.172 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.4 | -47.2 | 179.4 | -63.3 | 0 | 0 | 0 | 0 | 111.5 | N27 T28 L29 S35 L48 V52 | N27-T31 VanDerWaalsContact O-CB 3.22Å; N27-T31 WeakPolarHBondContact O-CB 3.2Å; N27-T31 PolarHBondContact O-N 2.88Å; N27-T31 PolarHBondContact O-OG1 3Å; T28-T31 WeakPolarHBondContact O-CB 3.44Å; T28-T31 PolarHBondContact O-N 2.79Å; L29-T31 VanDerWaalsContact C-N 3.33Å; L29-T31 PolarHBondContact O-N 3.42Å; T31-S35 WeakPolarHBondContact O-CB 3.49Å; T31-S35 PolarHBondContact O-N 3.45Å; T31-S35 PolarHBondContact O-OG 3.05Å; T31-L48 HydrophobicContact CG2-CD1 3.63Å; T31-L48 WeakPolarHBondContact O-CD1 3.39Å; T31-V52 HydrophobicContact CG2-CG2 4.17Å |
| 32 | I | 94.4 | Very high | 93.1 | Very high | 92 Ų | 92 | 51.4 Ų | 51.4 | 47% | 0.472 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.2 | -49.3 | 178.2 | -68.4 | 168.1 | 0 | 0 | 0 | 110.5 | T28 L29 I30 L34 S35 L316 | T28-I32 HydrophobicContact CG2-CD1 3.84Å; T28-I32 HydrophobicContact CG2-CG1 4.42Å; T28-I32 VanDerWaalsContact O-CG1 3.27Å; T28-I32 WeakPolarHBondContact O-CG1 3.4Å; T28-I32 PolarHBondContact O-N 3.28Å; L29-I32 PolarHBondContact O-N 2.84Å; I30-I32 PolarHBondContact O-N 3.5Å; I32-L34 PolarHBondContact O-N 3.31Å; I32-S35 PolarHBondContact O-N 3.23Å; I32-L316 HydrophobicContact CG2-CD1 4.06Å |
| 33 | V | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62 | -45.5 | -179 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | L29 I30 S35 D36 L39 F309 V312 L316 | L29-V33 HydrophobicContact CD1-CG2 4.1Å; L29-V33 HydrophobicContact CG-CG2 4.43Å; L29-V33 WeakPolarHBondContact O-CB 3.45Å; L29-V33 VanDerWaalsContact O-CG2 3.24Å; L29-V33 WeakPolarHBondContact O-CG2 3.44Å; L29-V33 PolarHBondContact O-N 3.26Å; I30-V33 PolarHBondContact O-N 3.49Å; V33-S35 VanDerWaalsContact C-N 3.26Å; V33-S35 PolarHBondContact O-N 3.31Å; V33-D36 VanDerWaalsContact O-CB 3.3Å; V33-D36 WeakPolarHBondContact O-CB 2.88Å; V33-D36 PolarHBondContact O-N 3.37Å; V33-L39 HydrophobicContact CG1-CD1 4.05Å; V33-L39 WeakPolarHBondContact O-CD1 3.42Å; V33-F309 HydrophobicContact CB-CD2 4.22Å; V33-F309 HydrophobicContact CB-CE2 3.63Å; V33-F309 HydrophobicContact CB-CZ 3.9Å; V33-F309 HydrophobicContact CG1-CD1 4.34Å; V33-F309 HydrophobicContact CG1-CD2 3.39Å; V33-F309 HydrophobicContact CG1-CE1 4.28Å; V33-F309 HydrophobicContact CG1-CE2 3.33Å; V33-F309 HydrophobicContact CG1-CG 3.91Å; V33-F309 HydrophobicContact CG1-CZ 3.8Å; V33-F309 HydrophobicContact CG2-CE2 4.39Å; V33-F309 HydrophobicContact CG2-CZ 4.16Å; V33-V312 HydrophobicContact CG1-CB 4.14Å; V33-V312 HydrophobicContact CG1-CG1 3.93Å; V33-L316 HydrophobicContact CG2-CD1 3.97Å |
| 34 | L | 93.9 | Very high | 92.8 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.6 | -19.7 | -179.3 | -71 | 177.4 | 0 | 0 | 0 | 113.9 | I30 I32 D36 L39 N44 L47 L48 F309 | I30-L34 HydrophobicContact CG2-CD1 3.56Å; I30-L34 HydrophobicContact CG2-CG 4.18Å; I30-L34 WeakPolarHBondContact O-CB 3.25Å; I30-L34 WeakPolarHBondContact O-CG 3.32Å; I30-L34 PolarHBondContact O-N 2.72Å; I32-L34 PolarHBondContact O-N 3.31Å; L34-D36 PolarHBondContact O-N 3.37Å; L34-L39 HydrophobicContact CD2-CD1 4.34Å; L34-N44 HydrophobicContact CD2-CB 4.19Å; L34-L47 HydrophobicContact CD1-CB 3.63Å; L34-L48 HydrophobicContact CB-CB 4.33Å; L34-L48 HydrophobicContact CB-CD1 4.11Å; L34-L48 HydrophobicContact CD1-CB 4.37Å; L34-F309 HydrophobicContact CD2-CD2 4.13Å; L34-F309 HydrophobicContact CD2-CE2 4.33Å; L34-F309 HydrophobicContact CG-CE2 4.21Å |
| 35 | S | 93.4 | Very high | 92.9 | Very high | 74 Ų | 74 | 51.7 Ų | 51.7 | 52% | 0.517 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -10.3 | 174.3 | -62.3 | 0 | 0 | 0 | 0 | 112.8 | T31 I32 V33 | T31-S35 WeakPolarHBondContact O-CB 3.49Å; T31-S35 PolarHBondContact O-N 3.45Å; T31-S35 PolarHBondContact O-OG 3.05Å; I32-S35 PolarHBondContact O-N 3.23Å; V33-S35 VanDerWaalsContact C-N 3.26Å; V33-S35 PolarHBondContact O-N 3.31Å |
| 36 | D | 92.4 | Very high | 92.9 | Very high | 56 Ų | 56 | 47.3 Ų | 47.3 | 30% | 0.299 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -61.4 | 138.2 | 175.6 | -175.6 | -99.1 | 0 | 0 | 0 | 112 | V33 L34 S38 L39 V312 | V33-D36 VanDerWaalsContact O-CB 3.3Å; V33-D36 WeakPolarHBondContact O-CB 2.88Å; V33-D36 PolarHBondContact O-N 3.37Å; L34-D36 PolarHBondContact O-N 3.37Å; D36-S38 PolarHBondContact O-N 3.41Å; D36-S38 WeakPolarHBondContact OD1-CA 3.36Å; D36-S38 WeakPolarHBondContact OD1-CB 3.4Å; D36-S38 PolarHBondContact OD1-N 3.47Å; D36-S38 PolarHBondContact OD1-OG 2.92Å; D36-L39 PolarHBondContact O-N 3.35Å; D36-V312 HydrophobicContact CB-CG1 3.68Å |
| 37 | K | 89.7 | Confident | 92.9 | Very high | 197 Ų | 197 | 46.9 Ų | 46.9 | 86% | 0.857 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -59.2 | -32.5 | -176.2 | -66.9 | -178.8 | -178 | 177.6 | 0 | 112.3 | L39 N40 | K37-L39 PolarHBondContact O-N 3.4Å; K37-N40 WeakPolarHBondContact O-CB 3.36Å; K37-N40 PolarHBondContact O-N 3.11Å |
| 38 | S | 88.6 | Confident | 93 | Very high | 76 Ų | 76 | 48.9 Ų | 48.9 | 53% | 0.531 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -67.4 | -20 | 178.1 | 76.2 | 0 | 0 | 0 | 0 | 113.1 | D36 V312 | D36-S38 PolarHBondContact O-N 3.41Å; D36-S38 WeakPolarHBondContact OD1-CA 3.36Å; D36-S38 WeakPolarHBondContact OD1-CB 3.4Å; D36-S38 PolarHBondContact OD1-N 3.47Å; D36-S38 PolarHBondContact OD1-OG 2.92Å; S38-V312 WeakPolarHBondContact OG-CG2 3.27Å |
| 39 | L | 87.3 | Confident | 93.1 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -103.1 | 11.8 | 179.3 | -63.4 | -173.6 | 0 | 0 | 0 | 113 | V33 L34 D36 K37 T41 N44 R308 V312 | V33-L39 HydrophobicContact CG1-CD1 4.05Å; V33-L39 WeakPolarHBondContact O-CD1 3.42Å; L34-L39 HydrophobicContact CD2-CD1 4.34Å; D36-L39 PolarHBondContact O-N 3.35Å; K37-L39 PolarHBondContact O-N 3.4Å; L39-T41 PolarHBondContact O-N 3.35Å; L39-N44 WeakPolarHBondContact O-CB 3.37Å; L39-N44 PolarHBondContact O-ND2 3.05Å; L39-R308 HydrophobicContact CD2-CB 3.8Å; L39-V312 HydrophobicContact CD1-CB 4.34Å; L39-V312 HydrophobicContact CD1-CG2 4.15Å; L39-V312 HydrophobicContact CG-CG2 4.2Å |
| 40 | N | 88.9 | Confident | 93.2 | Very high | 108 Ų | 108 | 45.7 Ų | 45.7 | 58% | 0.578 | 25% | 0.247 | S | C | * | . | trans | -73.5 | 66.9 | -179 | -170 | 19.1 | 0 | 0 | 0 | 113.4 | K37 Q45 | K37-N40 WeakPolarHBondContact O-CB 3.36Å; K37-N40 PolarHBondContact O-N 3.11Å; N40-Q45 PolarHBondContact OD1-NE2 3.22Å | ||
| 41 | T | 90.8 | Very high | 93.2 | Very high | 52 Ų | 52 | 45.8 Ų | 45.8 | 32% | 0.319 | 25% | 0.247 | S | C | . | . | trans | -107.5 | 153.2 | 174.3 | 70.3 | 0 | 0 | 0 | 0 | 110.6 | L39 T43 N44 Q45 | L39-T41 PolarHBondContact O-N 3.35Å; T41-T43 PolarHBondContact O-N 3.24Å; T41-T43 VanDerWaalsContact O-N 3.17Å; T41-N44 PolarHBondContact O-N 3.17Å; T41-N44 WeakPolarHBondContact OG1-CB 3.32Å; T41-N44 PolarHBondContact OG1-N 3.17Å; T41-N44 PolarHBondContact OG1-ND2 3.43Å; T41-Q45 PolarHBondContact O-N 3.13Å | ||
| 42 | K | 91.7 | Very high | 93.3 | Very high | 74 Ų | 74 | 46.7 Ų | 46.7 | 32% | 0.322 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55.4 | -36 | 177.8 | -66.5 | -172.6 | 178.5 | -167.8 | 0 | 112.7 | I46 G131 V132 V134 | K42-I46 PolarHBondContact O-N 3.1Å; K42-G131 PolarHBondContact NZ-O 3.12Å; K42-V132 PolarHBondContact NZ-O 3Å; K42-V134 HydrophobicContact CB-CB 4.04Å; K42-V134 HydrophobicContact CB-CG1 3.98Å; K42-V134 HydrophobicContact CB-CG2 4.29Å; K42-V134 HydrophobicContact CD-CB 4.32Å; K42-V134 HydrophobicContact CG-CB 4.15Å; K42-V134 HydrophobicContact CG-CG1 4.01Å |
| 43 | T | 91.8 | Very high | 93.4 | Very high | 30 Ų | 30 | 42.8 Ų | 42.8 | 18% | 0.184 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.8 | -43.7 | 176.3 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | T41 Q45 I46 L47 L112 R116 | T41-T43 PolarHBondContact O-N 3.24Å; T41-T43 VanDerWaalsContact O-N 3.17Å; T43-Q45 VanDerWaalsContact C-N 3.31Å; T43-Q45 PolarHBondContact O-N 2.86Å; T43-I46 PolarHBondContact O-N 3.24Å; T43-L47 PolarHBondContact O-N 3.46Å; T43-L47 VanDerWaalsContact O-N 3.07Å; T43-L112 HydrophobicContact CG2-CD1 3.53Å; T43-R116 HydrophobicContact CG2-CG 4.28Å |
| 44 | N | 92.5 | Very high | 93.5 | Very high | 29 Ų | 29 | 44.4 Ų | 44.4 | 16% | 0.155 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.9 | -28.3 | 179.5 | -69.6 | -5.6 | 0 | 0 | 0 | 112.7 | L34 L39 T41 I46 L47 L48 | L34-N44 HydrophobicContact CD2-CB 4.19Å; L39-N44 WeakPolarHBondContact O-CB 3.37Å; L39-N44 PolarHBondContact O-ND2 3.05Å; T41-N44 PolarHBondContact O-N 3.17Å; T41-N44 WeakPolarHBondContact OG1-CB 3.32Å; T41-N44 PolarHBondContact OG1-N 3.17Å; T41-N44 PolarHBondContact OG1-ND2 3.43Å; N44-I46 VanDerWaalsContact C-N 3.3Å; N44-I46 PolarHBondContact O-N 3.2Å; N44-L47 WeakPolarHBondContact O-CB 3.39Å; N44-L47 PolarHBondContact O-N 3.46Å; N44-L48 VanDerWaalsContact O-CB 3.31Å; N44-L48 WeakPolarHBondContact O-CB 3.22Å; N44-L48 PolarHBondContact O-N 3.27Å |
| 45 | Q | 95.6 | Very high | 93.5 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 21% | 0.206 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63 | -36.9 | 170.7 | -70.1 | -179.2 | 7 | 0 | 0 | 111.8 | N40 T41 T43 S49 V134 I138 | N40-Q45 PolarHBondContact OD1-NE2 3.22Å; T41-Q45 PolarHBondContact O-N 3.13Å; T43-Q45 VanDerWaalsContact C-N 3.31Å; T43-Q45 PolarHBondContact O-N 2.86Å; Q45-S49 PolarHBondContact O-N 2.87Å; Q45-S49 PolarHBondContact O-OG 2.86Å; Q45-V134 HydrophobicContact CB-CG1 4.09Å; Q45-I138 HydrophobicContact CB-CD1 4.39Å |
| 46 | I | 96.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.6 | -44.1 | 173 | -58.4 | 164.5 | 0 | 0 | 0 | 110.3 | K42 T43 N44 L48 S49 M50 L108 L111 L112 R115 V134 I138 | K42-I46 PolarHBondContact O-N 3.1Å; T43-I46 PolarHBondContact O-N 3.24Å; N44-I46 VanDerWaalsContact C-N 3.3Å; N44-I46 PolarHBondContact O-N 3.2Å; I46-L48 VanDerWaalsContact C-N 3.29Å; I46-L48 PolarHBondContact O-N 3.27Å; I46-S49 PolarHBondContact O-N 3.34Å; I46-M50 HydrophobicContact CG2-CE 3.99Å; I46-M50 PolarHBondContact O-N 2.96Å; I46-L108 HydrophobicContact CG2-CB 4.46Å; I46-L108 WeakPolarHBondContact CG2-O 3.04Å; I46-L111 HydrophobicContact CD1-CD2 4.38Å; I46-L111 HydrophobicContact CD1-CG 4.09Å; I46-L111 HydrophobicContact CG1-CD2 4.42Å; I46-L112 HydrophobicContact CB-CD1 4.07Å; I46-L112 HydrophobicContact CG2-CB 3.9Å; I46-L112 HydrophobicContact CG2-CD1 4.12Å; I46-R115 HydrophobicContact CD1-CB 3.98Å; I46-R115 HydrophobicContact CD1-CG 4.04Å; I46-V134 HydrophobicContact CD1-CG2 3.8Å; I46-V134 HydrophobicContact CG1-CG2 3.74Å; I46-I138 HydrophobicContact CG1-CD1 3.9Å; I46-I138 HydrophobicContact CG1-CG1 4.03Å |
| 47 | L | 94.6 | Very high | 93.8 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.1 | -43 | 174.8 | -66.5 | 179.1 | 0 | 0 | 0 | 112.3 | L34 T43 N44 M50 A51 L112 Y302 | L34-L47 HydrophobicContact CD1-CB 3.63Å; T43-L47 PolarHBondContact O-N 3.46Å; T43-L47 VanDerWaalsContact O-N 3.07Å; N44-L47 WeakPolarHBondContact O-CB 3.39Å; N44-L47 PolarHBondContact O-N 3.46Å; L47-M50 VanDerWaalsContact CA-CE 3.44Å; L47-M50 HydrophobicContact CB-CE 4.32Å; L47-M50 HydrophobicContact CD2-CE 3.41Å; L47-M50 VanDerWaalsContact CD2-CE 3.41Å; L47-M50 HydrophobicContact CG-CE 4.23Å; L47-M50 PolarHBondContact O-N 2.92Å; L47-A51 PolarHBondContact O-N 3.4Å; L47-L112 HydrophobicContact CD2-CD1 3.77Å; L47-L112 HydrophobicContact CD2-CD2 3.59Å; L47-L112 HydrophobicContact CD2-CG 4.31Å; L47-L112 HydrophobicContact CG-CD1 3.96Å; L47-Y302 HydrophobicContact CD1-CE1 4.07Å; L47-Y302 HydrophobicContact CD2-CE1 3.92Å; L47-Y302 WeakPolarHBondContact CD2-OH 3.13Å |
| 48 | L | 96.3 | Very high | 94 | Very high | 41 Ų | 41 | 33.8 Ų | 33.8 | 22% | 0.215 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.3 | -49.5 | 175.9 | 179 | 66.7 | 0 | 0 | 0 | 110.8 | T31 L34 N44 I46 M50 A51 V52 | T31-L48 HydrophobicContact CG2-CD1 3.63Å; T31-L48 WeakPolarHBondContact O-CD1 3.39Å; L34-L48 HydrophobicContact CB-CB 4.33Å; L34-L48 HydrophobicContact CB-CD1 4.11Å; L34-L48 HydrophobicContact CD1-CB 4.37Å; N44-L48 VanDerWaalsContact O-CB 3.31Å; N44-L48 WeakPolarHBondContact O-CB 3.22Å; N44-L48 PolarHBondContact O-N 3.27Å; I46-L48 VanDerWaalsContact C-N 3.29Å; I46-L48 PolarHBondContact O-N 3.27Å; L48-M50 VanDerWaalsContact C-N 3.3Å; L48-M50 PolarHBondContact O-N 3.39Å; L48-A51 PolarHBondContact O-N 3.07Å; L48-V52 WeakPolarHBondContact O-CG2 3.4Å; L48-V52 PolarHBondContact O-N 3.34Å |
| 49 | S | 97.8 | Very high | 94.3 | Very high | 29 Ų | 29 | 33.5 Ų | 33.5 | 20% | 0.203 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.5 | -40.5 | 176.7 | -65.2 | 0 | 0 | 0 | 0 | 112.5 | Q45 I46 V52 T53 I138 | Q45-S49 PolarHBondContact O-N 2.87Å; Q45-S49 PolarHBondContact O-OG 2.86Å; I46-S49 PolarHBondContact O-N 3.34Å; S49-V52 PolarHBondContact O-N 3.28Å; S49-T53 PolarHBondContact O-N 3.31Å; S49-T53 PolarHBondContact O-OG1 3.33Å; S49-T53 VanDerWaalsContact O-OG1 3.06Å; S49-I138 VanDerWaalsContact OG-CG2 3.28Å; S49-I138 WeakPolarHBondContact OG-CG2 3.37Å |
| 50 | M | 96.1 | Very high | 94.7 | Very high | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.03 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.7 | -49.9 | 175.4 | -76.1 | 179.8 | -64.6 | 0 | 0 | 111.8 | I46 L47 L48 V52 T53 E54 L108 T109 L112 | I46-M50 HydrophobicContact CG2-CE 3.99Å; I46-M50 PolarHBondContact O-N 2.96Å; L47-M50 VanDerWaalsContact CA-CE 3.44Å; L47-M50 HydrophobicContact CB-CE 4.32Å; L47-M50 HydrophobicContact CD2-CE 3.41Å; L47-M50 VanDerWaalsContact CD2-CE 3.41Å; L47-M50 HydrophobicContact CG-CE 4.23Å; L47-M50 PolarHBondContact O-N 2.92Å; L48-M50 VanDerWaalsContact C-N 3.3Å; L48-M50 PolarHBondContact O-N 3.39Å; M50-V52 VanDerWaalsContact C-N 3.26Å; M50-V52 PolarHBondContact O-N 2.97Å; M50-T53 WeakPolarHBondContact CA-OG1 3.43Å; M50-T53 PolarHBondContact O-N 2.84Å; M50-T53 VanDerWaalsContact O-N 3.14Å; M50-T53 PolarHBondContact O-OG1 2.94Å; M50-E54 WeakPolarHBondContact O-CB 3.26Å; M50-E54 WeakPolarHBondContact O-CG 3.4Å; M50-E54 PolarHBondContact O-N 3.22Å; M50-L108 HydrophobicContact CG-CB 3.36Å; M50-L108 HydrophobicContact CG-CD1 4.14Å; M50-L108 HydrophobicContact CG-CG 4.39Å; M50-L108 VanDerWaalsContact SD-C 3.56Å; M50-L108 HydrophobicContact SD-CB 4.06Å; M50-T109 WeakPolarHBondContact SD-CA 3.39Å; M50-T109 HydrophobicContact SD-CG2 4.5Å; M50-T109 PolarHBondContact SD-N 2.04Å; M50-T109 VanDerWaalsContact SD-N 3.38Å; M50-T109 PolarHBondContact SD-OG1 2.9Å; M50-L112 HydrophobicContact CE-CB 4.1Å; M50-L112 HydrophobicContact CE-CD1 4.2Å; M50-L112 HydrophobicContact CE-CD2 3.85Å; M50-L112 HydrophobicContact CE-CG 4.24Å |
| 51 | A | 95.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.7 | -39 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | I30 L47 L48 M55 | I30-A51 HydrophobicContact CB-CB 4.19Å; I30-A51 HydrophobicContact CG2-CB 3.69Å; L47-A51 PolarHBondContact O-N 3.4Å; L48-A51 PolarHBondContact O-N 3.07Å; A51-M55 VanDerWaalsContact O-CB 3.32Å; A51-M55 WeakPolarHBondContact O-CB 3.24Å; A51-M55 PolarHBondContact O-N 2.76Å |
| 52 | V | 97.3 | Very high | 95 | Very high | 47 Ų | 47 | 28 Ų | 28 | 29% | 0.285 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65.6 | -47 | 175 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | T31 L48 S49 M50 E54 M55 L56 | T31-V52 HydrophobicContact CG2-CG2 4.17Å; L48-V52 WeakPolarHBondContact O-CG2 3.4Å; L48-V52 PolarHBondContact O-N 3.34Å; S49-V52 PolarHBondContact O-N 3.28Å; M50-V52 VanDerWaalsContact C-N 3.26Å; M50-V52 PolarHBondContact O-N 2.97Å; V52-E54 VanDerWaalsContact C-N 3.34Å; V52-E54 PolarHBondContact O-N 3.48Å; V52-M55 WeakPolarHBondContact O-CB 3.5Å; V52-M55 PolarHBondContact O-N 2.84Å; V52-L56 HydrophobicContact CG1-CD1 4.01Å; V52-L56 HydrophobicContact CG1-CG 4.48Å; V52-L56 VanDerWaalsContact O-CG 3.3Å; V52-L56 WeakPolarHBondContact O-CG 3.01Å; V52-L56 PolarHBondContact O-N 3.26Å |
| 53 | T | 96.9 | Very high | 95.2 | Very high | 11 Ų | 11 | 27.2 Ų | 27.2 | 7% | 0.067 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.3 | -36 | 178.1 | 48 | 0 | 0 | 0 | 0 | 112.8 | S49 M50 L56 T57 A104 A105 L108 | S49-T53 PolarHBondContact O-N 3.31Å; S49-T53 PolarHBondContact O-OG1 3.33Å; S49-T53 VanDerWaalsContact O-OG1 3.06Å; M50-T53 WeakPolarHBondContact CA-OG1 3.43Å; M50-T53 PolarHBondContact O-N 2.84Å; M50-T53 VanDerWaalsContact O-N 3.14Å; M50-T53 PolarHBondContact O-OG1 2.94Å; T53-L56 PolarHBondContact O-N 3.19Å; T53-T57 PolarHBondContact O-N 3.13Å; T53-T57 PolarHBondContact O-OG1 3.35Å; T53-A104 HydrophobicContact CG2-CB 4.09Å; T53-A105 WeakPolarHBondContact OG1-CB 3.28Å; T53-L108 HydrophobicContact CG2-CD1 3.99Å |
| 54 | E | 95.3 | Very high | 95.3 | Very high | 33 Ų | 33 | 26.5 Ų | 26.5 | 15% | 0.154 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.7 | -42.1 | 174.8 | -75 | 176.6 | 169.2 | 0 | 0 | 111.6 | N27 M50 V52 L56 T57 G58 A105 N298 | N27-E54 PolarHBondContact OD1-OE2 3.07Å; M50-E54 WeakPolarHBondContact O-CB 3.26Å; M50-E54 WeakPolarHBondContact O-CG 3.4Å; M50-E54 PolarHBondContact O-N 3.22Å; V52-E54 VanDerWaalsContact C-N 3.34Å; V52-E54 PolarHBondContact O-N 3.48Å; E54-L56 PolarHBondContact O-N 3.44Å; E54-T57 WeakPolarHBondContact O-CB 3.23Å; E54-T57 PolarHBondContact O-N 3.08Å; E54-G58 PolarHBondContact O-N 2.87Å; E54-A105 HydrophobicContact CG-CB 3.92Å; E54-N298 PolarHBondContact OE1-ND2 3.15Å; E54-N298 PolarHBondContact OE2-ND2 2.93Å |
| 55 | M | 95.1 | Very high | 95.4 | Very high | 37 Ų | 37 | 25.8 Ų | 25.8 | 18% | 0.182 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.8 | -45.7 | 172.5 | -177.1 | 178.4 | 69 | 0 | 0 | 111.6 | V24 N27 A51 V52 T57 G58 L59 | V24-M55 HydrophobicContact CG1-CG 4.37Å; V24-M55 HydrophobicContact CG2-CG 4.27Å; N27-M55 HydrophobicContact CB-CB 3.95Å; A51-M55 VanDerWaalsContact O-CB 3.32Å; A51-M55 WeakPolarHBondContact O-CB 3.24Å; A51-M55 PolarHBondContact O-N 2.76Å; V52-M55 WeakPolarHBondContact O-CB 3.5Å; V52-M55 PolarHBondContact O-N 2.84Å; M55-T57 VanDerWaalsContact C-N 3.31Å; M55-T57 PolarHBondContact O-N 3.03Å; M55-G58 PolarHBondContact O-N 3.14Å; M55-L59 HydrophobicContact CG-CD1 3.78Å; M55-L59 HydrophobicContact CG-CG 4.4Å; M55-L59 WeakPolarHBondContact O-CG 3.49Å; M55-L59 PolarHBondContact O-N 3.37Å; M55-L59 HydrophobicContact SD-CD1 4.45Å |
| 56 | L | 96.6 | Very high | 95.3 | Very high | 59 Ų | 59 | 27.1 Ų | 27.1 | 31% | 0.309 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -66.5 | -31.6 | 178.4 | -70.3 | 172.4 | 0 | 0 | 0 | 112.9 | V52 T53 E54 G58 S60 F101 | V52-L56 HydrophobicContact CG1-CD1 4.01Å; V52-L56 HydrophobicContact CG1-CG 4.48Å; V52-L56 VanDerWaalsContact O-CG 3.3Å; V52-L56 WeakPolarHBondContact O-CG 3.01Å; V52-L56 PolarHBondContact O-N 3.26Å; T53-L56 PolarHBondContact O-N 3.19Å; E54-L56 PolarHBondContact O-N 3.44Å; L56-G58 VanDerWaalsContact C-N 3.35Å; L56-G58 PolarHBondContact O-N 3.21Å; L56-S60 VanDerWaalsContact O-CB 3.22Å; L56-S60 WeakPolarHBondContact O-CB 3.41Å; L56-S60 PolarHBondContact O-N 3.24Å; L56-S60 PolarHBondContact O-OG 2.96Å; L56-F101 HydrophobicContact CB-CB 4.4Å; L56-F101 HydrophobicContact CB-CD1 3.85Å; L56-F101 HydrophobicContact CB-CD2 3.82Å; L56-F101 HydrophobicContact CB-CE1 4.02Å; L56-F101 HydrophobicContact CB-CE2 3.99Å; L56-F101 HydrophobicContact CB-CG 3.77Å; L56-F101 HydrophobicContact CB-CZ 4.09Å; L56-F101 HydrophobicContact CD1-CD1 4.02Å; L56-F101 HydrophobicContact CD1-CE1 3.66Å; L56-F101 HydrophobicContact CD1-CZ 4.09Å; L56-F101 HydrophobicContact CG-CE1 4.42Å |
| 57 | T | 95 | Very high | 95.2 | Very high | 17 Ų | 17 | 28.4 Ų | 28.4 | 10% | 0.104 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.7 | -49.1 | 173.5 | -59.4 | 0 | 0 | 0 | 0 | 110.6 | T53 E54 M55 S60 P98 F101 H102 | T53-T57 PolarHBondContact O-N 3.13Å; T53-T57 PolarHBondContact O-OG1 3.35Å; E54-T57 WeakPolarHBondContact O-CB 3.23Å; E54-T57 PolarHBondContact O-N 3.08Å; M55-T57 VanDerWaalsContact C-N 3.31Å; M55-T57 PolarHBondContact O-N 3.03Å; T57-S60 PolarHBondContact O-OG 3.34Å; T57-P98 HydrophobicContact CG2-CB 4.38Å; T57-F101 VanDerWaalsContact OG1-CB 3.3Å; T57-F101 WeakPolarHBondContact OG1-CB 3.47Å; T57-H102 HydrophobicContact CG2-CB 3.89Å; T57-H102 PolarHBondContact OG1-N 2.92Å |
| 58 | G | 93.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.9 | -53.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V20 E54 M55 L56 S60 S61 L62 | V20-G58 VanDerWaalsContact CG1-C 3.49Å; E54-G58 PolarHBondContact O-N 2.87Å; M55-G58 PolarHBondContact O-N 3.14Å; L56-G58 VanDerWaalsContact C-N 3.35Å; L56-G58 PolarHBondContact O-N 3.21Å; G58-S60 VanDerWaalsContact C-N 3.33Å; G58-S60 PolarHBondContact O-N 2.93Å; G58-S61 PolarHBondContact O-N 2.9Å; G58-S61 VanDerWaalsContact O-N 3.15Å; G58-S61 PolarHBondContact O-OG 3.09Å; G58-L62 PolarHBondContact O-N 3.06Å |
| 59 | L | 94.8 | Very high | 95.1 | Very high | 70 Ų | 70 | 28.6 Ų | 28.6 | 37% | 0.366 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -59.8 | -38.5 | -175.5 | -74.5 | 173.2 | 0 | 0 | 0 | 113.5 | V24 M55 S61 L62 P63 | V24-L59 HydrophobicContact CG1-CD2 4.36Å; V24-L59 HydrophobicContact CG2-CD1 4.38Å; V24-L59 HydrophobicContact CG2-CD2 3.64Å; V24-L59 HydrophobicContact CG2-CG 3.67Å; M55-L59 HydrophobicContact CG-CD1 3.78Å; M55-L59 HydrophobicContact CG-CG 4.4Å; M55-L59 WeakPolarHBondContact O-CG 3.49Å; M55-L59 PolarHBondContact O-N 3.37Å; M55-L59 HydrophobicContact SD-CD1 4.45Å; L59-S61 VanDerWaalsContact C-N 3.26Å; L59-S61 PolarHBondContact O-N 3.17Å; L59-L62 HydrophobicContact CD2-CD1 4.31Å; L59-L62 PolarHBondContact O-N 2.9Å; L59-P63 VanDerWaalsContact O-CD 3.23Å; L59-P63 WeakPolarHBondContact O-CD 3.39Å |
| 60 | S | 95.5 | Very high | 94.9 | Very high | 13 Ų | 13 | 30 Ų | 30 | 9% | 0.091 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.5 | -30.5 | 179.9 | 56 | 0 | 0 | 0 | 0 | 112.9 | L56 T57 G58 L93 | L56-S60 VanDerWaalsContact O-CB 3.22Å; L56-S60 WeakPolarHBondContact O-CB 3.41Å; L56-S60 PolarHBondContact O-N 3.24Å; L56-S60 PolarHBondContact O-OG 2.96Å; T57-S60 PolarHBondContact O-OG 3.34Å; G58-S60 VanDerWaalsContact C-N 3.33Å; G58-S60 PolarHBondContact O-N 2.93Å; S60-L93 WeakPolarHBondContact O-CD2 3.19Å |
| 61 | S | 93.3 | Very high | 94.9 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 5% | 0.049 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -83.4 | -25.6 | -179.9 | 74.9 | 0 | 0 | 0 | 0 | 114.6 | G58 L59 W64 F65 L93 | G58-S61 PolarHBondContact O-N 2.9Å; G58-S61 VanDerWaalsContact O-N 3.15Å; G58-S61 PolarHBondContact O-OG 3.09Å; L59-S61 VanDerWaalsContact C-N 3.26Å; L59-S61 PolarHBondContact O-N 3.17Å; S61-W64 PolarHBondContact O-N 3.02Å; S61-F65 VanDerWaalsContact CB-CE2 3.44Å; S61-F65 VanDerWaalsContact O-CD2 3.24Å; S61-F65 WeakPolarHBondContact O-CD2 3.44Å; S61-F65 PolarHBondContact O-N 3.32Å; S61-F65 WeakPolarHBondContact OG-CE2 3.25Å; S61-L93 VanDerWaalsContact CA-O 3.25Å; S61-L93 WeakPolarHBondContact CA-O 3.47Å |
| 62 | L | 93.8 | Very high | 94.7 | Very high | 28 Ų | 28 | 42.6 Ų | 42.6 | 15% | 0.147 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.1 | -46.7 | -173.2 | -88.4 | 179 | 0 | 0 | 0 | 115.4 | P17 V20 G58 L59 W64 F65 L66 | P17-L62 HydrophobicContact CB-CD2 4.4Å; V20-L62 HydrophobicContact CB-CD1 4.06Å; V20-L62 HydrophobicContact CB-CD2 3.88Å; V20-L62 HydrophobicContact CB-CG 3.96Å; V20-L62 HydrophobicContact CG1-CD1 3.38Å; V20-L62 HydrophobicContact CG1-CD2 4.08Å; V20-L62 HydrophobicContact CG1-CG 3.57Å; V20-L62 HydrophobicContact CG2-CD2 4.19Å; V20-L62 HydrophobicContact CG2-CG 4.3Å; G58-L62 PolarHBondContact O-N 3.06Å; L59-L62 HydrophobicContact CD2-CD1 4.31Å; L59-L62 PolarHBondContact O-N 2.9Å; L62-W64 PolarHBondContact O-N 2.97Å; L62-F65 PolarHBondContact O-N 3.03Å; L62-F65 VanDerWaalsContact O-N 3.1Å; L62-L66 HydrophobicContact CD2-CG 4.48Å; L62-L66 WeakPolarHBondContact O-CB 3.29Å; L62-L66 WeakPolarHBondContact O-CG 3.42Å; L62-L66 PolarHBondContact O-N 3.11Å |
| 63 | P | 95.4 | Very high | 94.5 | Very high | 58 Ų | 58 | 40.6 Ų | 40.6 | 38% | 0.377 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.6 | -38.4 | -174.3 | -23.6 | 32 | 0 | 0 | 0 | 112.3 | L59 Y67 L93 | L59-P63 VanDerWaalsContact O-CD 3.23Å; L59-P63 WeakPolarHBondContact O-CD 3.39Å; P63-Y67 WeakPolarHBondContact O-CB 3.38Å; P63-Y67 PolarHBondContact O-N 3.49Å; P63-Y67 VanDerWaalsContact O-N 3.13Å; P63-L93 HydrophobicContact CB-CD1 4.2Å |
| 64 | W | 94.4 | Very high | 94.2 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 5% | 0.053 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.2 | -47.6 | 174.8 | 172.8 | -104.9 | 0 | 0 | 0 | 112 | S61 L62 L66 Y67 Y68 M82 W86 H90 L93 S94 | S61-W64 PolarHBondContact O-N 3.02Å; L62-W64 PolarHBondContact O-N 2.97Å; W64-L66 PolarHBondContact O-N 3Å; W64-Y67 HydrophobicContact CE3-CD1 4.39Å; W64-Y67 HydrophobicContact CZ3-CD1 4.21Å; W64-Y67 HydrophobicContact CZ3-CE1 4.41Å; W64-Y67 PolarHBondContact O-N 3.23Å; W64-Y68 AromaticContact CH2-CD2 3.4Å; W64-Y68 HydrophobicContact CH2-CD2 3.4Å; W64-Y68 AromaticContact CH2-CE2 3.95Å; W64-Y68 HydrophobicContact CH2-CE2 3.95Å; W64-Y68 AromaticContact CH2-CG 3.75Å; W64-Y68 HydrophobicContact CH2-CG 3.75Å; W64-Y68 HydrophobicContact CZ2-CD1 4.06Å; W64-Y68 AromaticContact CZ2-CD2 3.71Å; W64-Y68 HydrophobicContact CZ2-CD2 3.71Å; W64-Y68 HydrophobicContact CZ2-CE2 4.25Å; W64-Y68 AromaticContact CZ2-CG 3.59Å; W64-Y68 HydrophobicContact CZ2-CG 3.59Å; W64-Y68 HydrophobicContact CZ3-CD2 4.08Å; W64-Y68 HydrophobicContact CZ3-CG 4.42Å; W64-Y68 WeakPolarHBondContact O-CB 3.29Å; W64-Y68 PolarHBondContact O-N 3.48Å; W64-M82 HydrophobicContact CH2-CE 3.83Å; W64-M82 HydrophobicContact CH2-SD 4.35Å; W64-W86 AromaticContact CE3-CE3 3.87Å; W64-W86 HydrophobicContact CE3-CE3 3.87Å; W64-W86 HydrophobicContact CE3-CZ3 4.34Å; W64-W86 HydrophobicContact CZ3-CB 4.28Å; W64-W86 HydrophobicContact CZ3-CE3 4.21Å; W64-H90 HydrophobicContact CD2-CB 3.83Å; W64-H90 HydrophobicContact CE3-CB 3.44Å; W64-H90 VanDerWaalsContact CE3-CB 3.44Å; W64-H90 HydrophobicContact CH2-CB 3.5Å; W64-H90 VanDerWaalsContact CH2-CB 3.5Å; W64-H90 HydrophobicContact CZ2-CB 3.89Å; W64-H90 HydrophobicContact CZ3-CB 3.27Å; W64-L93 HydrophobicContact CB-CB 3.91Å; W64-S94 VanDerWaalsContact CD1-CB 3.4Å |
| 65 | F | 93.2 | Very high | 94.1 | Very high | 15 Ų | 15 | 42.8 Ų | 42.8 | 7% | 0.066 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.5 | -40 | -177.5 | -66.3 | -42.5 | 0 | 0 | 0 | 112.8 | Y12 I16 S61 L62 Y69 T70 | Y12-F65 AromaticContact CD1-CD1 3.97Å; Y12-F65 HydrophobicContact CD1-CD1 3.97Å; Y12-F65 AromaticContact CD1-CE1 3.52Å; Y12-F65 HydrophobicContact CD1-CE1 3.52Å; Y12-F65 HydrophobicContact CD1-CE2 4.27Å; Y12-F65 AromaticContact CD1-CZ 3.7Å; Y12-F65 HydrophobicContact CD1-CZ 3.7Å; Y12-F65 HydrophobicContact CD2-CE1 4.19Å; Y12-F65 AromaticContact CE1-CE1 3.85Å; Y12-F65 HydrophobicContact CE1-CE1 3.85Å; Y12-F65 AromaticContact CE1-CZ 3.74Å; Y12-F65 HydrophobicContact CE1-CZ 3.74Å; Y12-F65 HydrophobicContact CE2-CE1 4.42Å; Y12-F65 AromaticContact CG-CD1 3.94Å; Y12-F65 HydrophobicContact CG-CD1 3.94Å; Y12-F65 AromaticContact CG-CE1 3.75Å; Y12-F65 HydrophobicContact CG-CE1 3.75Å; Y12-F65 HydrophobicContact CG-CZ 4.39Å; I16-F65 HydrophobicContact CG2-CD2 3.54Å; I16-F65 HydrophobicContact CG2-CE2 3.9Å; I16-F65 HydrophobicContact CG2-CG 4.26Å; S61-F65 VanDerWaalsContact CB-CE2 3.44Å; S61-F65 VanDerWaalsContact O-CD2 3.24Å; S61-F65 WeakPolarHBondContact O-CD2 3.44Å; S61-F65 PolarHBondContact O-N 3.32Å; S61-F65 WeakPolarHBondContact OG-CE2 3.25Å; L62-F65 PolarHBondContact O-N 3.03Å; L62-F65 VanDerWaalsContact O-N 3.1Å; F65-Y69 AromaticContact CD1-CD2 3.93Å; F65-Y69 HydrophobicContact CD1-CD2 3.93Å; F65-Y69 AromaticContact CD1-CE2 3.83Å; F65-Y69 HydrophobicContact CD1-CE2 3.83Å; F65-Y69 HydrophobicContact CE1-CE2 4.3Å; F65-Y69 WeakPolarHBondContact O-CB 3.49Å; F65-Y69 PolarHBondContact O-N 3.41Å; F65-T70 PolarHBondContact O-N 2.8Å |
| 66 | L | 94.9 | Very high | 93.8 | Very high | 71 Ų | 71 | 45.3 Ų | 45.3 | 37% | 0.372 | 22% | 0.224 | S | C | . | . | I | π-helix | trans | -63.1 | -50 | 175.5 | -71.5 | 174.7 | 0 | 0 | 0 | 111.4 | P17 L62 W64 T70 L71 | P17-L66 HydrophobicContact CB-CD2 4.12Å; P17-L66 HydrophobicContact CG-CD2 4.2Å; L62-L66 HydrophobicContact CD2-CG 4.48Å; L62-L66 WeakPolarHBondContact O-CB 3.29Å; L62-L66 WeakPolarHBondContact O-CG 3.42Å; L62-L66 PolarHBondContact O-N 3.11Å; W64-L66 PolarHBondContact O-N 3Å; L66-T70 HydrophobicContact CD2-CG2 4.35Å; L66-T70 CarbonylContact O-C 3.47Å; L66-T70 WeakPolarHBondContact O-CB 3.48Å; L66-T70 PolarHBondContact O-N 3.34Å; L66-L71 WeakPolarHBondContact O-CB 3.44Å; L66-L71 WeakPolarHBondContact O-CG 3.24Å; L66-L71 PolarHBondContact O-N 3.15Å |
| 67 | Y | 94.8 | Very high | 93.5 | Very high | 29 Ų | 29 | 44.1 Ų | 44.1 | 11% | 0.114 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -62 | -57.7 | 178.5 | 167.3 | -102.8 | 0 | 0 | 0 | 111.8 | P63 W64 G73 P83 W86 | P63-Y67 WeakPolarHBondContact O-CB 3.38Å; P63-Y67 PolarHBondContact O-N 3.49Å; P63-Y67 VanDerWaalsContact O-N 3.13Å; W64-Y67 HydrophobicContact CE3-CD1 4.39Å; W64-Y67 HydrophobicContact CZ3-CD1 4.21Å; W64-Y67 HydrophobicContact CZ3-CE1 4.41Å; W64-Y67 PolarHBondContact O-N 3.23Å; Y67-G73 WeakPolarHBondContact O-CA 3.26Å; Y67-G73 PolarHBondContact O-N 2.82Å; Y67-P83 WeakPolarHBondContact OH-CD 3.48Å; Y67-W86 AromaticContact CD1-CD1 3.99Å; Y67-W86 AromaticContact CD1-CD2 3.56Å; Y67-W86 HydrophobicContact CD1-CD2 3.56Å; Y67-W86 AromaticContact CD1-CE2 3.55Å; Y67-W86 AromaticContact CD1-CE3 3.98Å; Y67-W86 HydrophobicContact CD1-CE3 3.98Å; Y67-W86 AromaticContact CD1-CG 3.89Å; Y67-W86 HydrophobicContact CD1-CG 3.89Å; Y67-W86 HydrophobicContact CD1-CH2 4.34Å; Y67-W86 AromaticContact CD1-CZ2 3.97Å; Y67-W86 HydrophobicContact CD1-CZ2 3.97Å; Y67-W86 HydrophobicContact CD1-CZ3 4.34Å; Y67-W86 AromaticContact CD1-NE1 3.81Å; Y67-W86 HydrophobicContact CD2-CD2 4.45Å; Y67-W86 AromaticContact CD2-CE2 3.59Å; Y67-W86 AromaticContact CD2-CZ2 3.67Å; Y67-W86 HydrophobicContact CD2-CZ2 3.67Å; Y67-W86 AromaticContact CD2-NE1 3.47Å; Y67-W86 HydrophobicContact CE1-CB 4.12Å; Y67-W86 AromaticContact CE1-CD1 3.42Å; Y67-W86 VanDerWaalsContact CE1-CD1 3.42Å; Y67-W86 AromaticContact CE1-CD2 3.74Å; Y67-W86 HydrophobicContact CE1-CD2 3.74Å; Y67-W86 AromaticContact CE1-CE2 3.83Å; Y67-W86 AromaticContact CE1-CG 3.51Å; Y67-W86 HydrophobicContact CE1-CG 3.51Å; Y67-W86 AromaticContact CE1-NE1 3.62Å; Y67-W86 AromaticContact CE2-CD1 3.7Å; Y67-W86 AromaticContact CE2-CE2 3.84Å; Y67-W86 HydrophobicContact CE2-CG 4.5Å; Y67-W86 HydrophobicContact CE2-CZ2 4.36Å; Y67-W86 AromaticContact CE2-NE1 3.23Å; Y67-W86 AromaticContact CG-CD2 3.95Å; Y67-W86 HydrophobicContact CG-CD2 3.95Å; Y67-W86 AromaticContact CG-CE2 3.42Å; Y67-W86 VanDerWaalsContact CG-CE2 3.42Å; Y67-W86 HydrophobicContact CG-CE3 4.38Å; Y67-W86 AromaticContact CG-CH2 3.93Å; Y67-W86 HydrophobicContact CG-CH2 3.93Å; Y67-W86 AromaticContact CG-CZ2 3.43Å; Y67-W86 HydrophobicContact CG-CZ2 3.43Å; Y67-W86 VanDerWaalsContact CG-CZ2 3.43Å; Y67-W86 HydrophobicContact CG-CZ3 4.38Å; Y67-W86 AromaticContact CG-NE1 3.75Å; Y67-W86 AromaticContact CZ-CD1 3.24Å; Y67-W86 AromaticContact CZ-CE2 3.96Å; Y67-W86 AromaticContact CZ-CG 3.85Å; Y67-W86 AromaticContact CZ-NE1 3.32Å; Y67-W86 VanDerWaalsContact CZ-NE1 3.32Å |
| 68 | Y | 94.2 | Very high | 93.2 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 15% | 0.153 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -73.7 | -41.1 | -166.6 | -164.2 | -101.3 | 0 | 0 | 0 | 112.1 | W64 G73 Y74 D77 M82 | W64-Y68 AromaticContact CH2-CD2 3.4Å; W64-Y68 HydrophobicContact CH2-CD2 3.4Å; W64-Y68 AromaticContact CH2-CE2 3.95Å; W64-Y68 HydrophobicContact CH2-CE2 3.95Å; W64-Y68 AromaticContact CH2-CG 3.75Å; W64-Y68 HydrophobicContact CH2-CG 3.75Å; W64-Y68 HydrophobicContact CZ2-CD1 4.06Å; W64-Y68 AromaticContact CZ2-CD2 3.71Å; W64-Y68 HydrophobicContact CZ2-CD2 3.71Å; W64-Y68 HydrophobicContact CZ2-CE2 4.25Å; W64-Y68 AromaticContact CZ2-CG 3.59Å; W64-Y68 HydrophobicContact CZ2-CG 3.59Å; W64-Y68 HydrophobicContact CZ3-CD2 4.08Å; W64-Y68 HydrophobicContact CZ3-CG 4.42Å; W64-Y68 WeakPolarHBondContact O-CB 3.29Å; W64-Y68 PolarHBondContact O-N 3.48Å; Y68-G73 PolarHBondContact O-N 2.68Å; Y68-Y74 VanDerWaalsContact O-CD1 3.28Å; Y68-Y74 WeakPolarHBondContact O-CD1 3.41Å; Y68-Y74 PolarHBondContact O-N 3.01Å; Y68-D77 HydrophobicContact CE2-CB 4.06Å; Y68-D77 WeakPolarHBondContact CE2-OD2 3.23Å; Y68-D77 PolarHBondContact OH-OD2 3.07Å; Y68-M82 HydrophobicContact CE2-CE 4.02Å |
| 69 | Y | 94.1 | Very high | 93.1 | Very high | 15 Ų | 15 | 53.1 Ų | 53.1 | 6% | 0.059 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -102.9 | -50.7 | -174 | -60 | -80.2 | 0 | 0 | 0 | 113.1 | L5 A8 L9 Y12 G13 F65 R72 | L5-Y69 HydrophobicContact CD1-CD1 4.34Å; L5-Y69 HydrophobicContact CD1-CE1 4.13Å; A8-Y69 HydrophobicContact CB-CE1 3.75Å; L9-Y69 HydrophobicContact CD1-CD1 4.48Å; Y12-Y69 VanDerWaalsContact CB-CD2 3.5Å; Y12-Y69 HydrophobicContact CD2-CD2 4.49Å; Y12-Y69 HydrophobicContact CD2-CE1 4.33Å; Y12-Y69 AromaticContact CD2-CE2 3.8Å; Y12-Y69 HydrophobicContact CD2-CE2 3.8Å; Y12-Y69 AromaticContact CD2-CZ 3.69Å; Y12-Y69 HydrophobicContact CG-CD2 4.36Å; Y12-Y69 HydrophobicContact CG-CE2 4.05Å; G13-Y69 VanDerWaalsContact CA-CB 3.48Å; F65-Y69 AromaticContact CD1-CD2 3.93Å; F65-Y69 HydrophobicContact CD1-CD2 3.93Å; F65-Y69 AromaticContact CD1-CE2 3.83Å; F65-Y69 HydrophobicContact CD1-CE2 3.83Å; F65-Y69 HydrophobicContact CE1-CE2 4.3Å; F65-Y69 WeakPolarHBondContact O-CB 3.49Å; F65-Y69 PolarHBondContact O-N 3.41Å; Y69-R72 PolarHBondContact O-N 2.83Å |
| 70 | T | 94 | Very high | 92.8 | Very high | 57 Ų | 57 | 55.6 Ų | 55.6 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | I | π-helix | trans | -72 | -45.3 | -174.7 | -49.5 | 0 | 0 | 0 | 0 | 112.4 | G13 F65 L66 R72 | G13-T70 PolarHBondContact O-OG1 2.64Å; F65-T70 PolarHBondContact O-N 2.8Å; L66-T70 HydrophobicContact CD2-CG2 4.35Å; L66-T70 CarbonylContact O-C 3.47Å; L66-T70 WeakPolarHBondContact O-CB 3.48Å; L66-T70 PolarHBondContact O-N 3.34Å; T70-R72 PolarHBondContact O-N 3.15Å |
| 71 | L | 94.9 | Very high | 92.6 | Very high | 131 Ų | 131 | 55.3 Ų | 55.3 | 69% | 0.686 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 10.1 | 177.7 | -62.9 | 176.5 | 0 | 0 | 0 | 112.7 | L66 G73 | L66-L71 WeakPolarHBondContact O-CB 3.44Å; L66-L71 WeakPolarHBondContact O-CG 3.24Å; L66-L71 PolarHBondContact O-N 3.15Å; L71-G73 PolarHBondContact O-N 3.26Å |
| 72 | R | 92.6 | Very high | 92.5 | Very high | 142 Ų | 142 | 55.7 Ų | 55.7 | 54% | 0.536 | 28% | 0.276 | S | S | . | . | trans | 58.1 | 30.5 | 178.4 | -54.4 | 172.1 | 74.3 | -177.3 | 1.2 | 113.8 | Y69 T70 Y74 E75 | Y69-R72 PolarHBondContact O-N 2.83Å; T70-R72 PolarHBondContact O-N 3.15Å; R72-Y74 HydrophobicContact CB-CE1 4.07Å; R72-Y74 HydrophobicContact CG-CE1 4.19Å; R72-Y74 PolarHBondContact O-N 3.33Å; R72-E75 HydrophobicContact CB-CG 4.2Å; R72-E75 VanDerWaalsContact CZ-CD 3.49Å; R72-E75 IonicContact CZ-OE1 3.1Å; R72-E75 IonicContact CZ-OE2 3.15Å; R72-E75 IonicContact NE-OE1 2.84Å; R72-E75 PolarHBondContact NE-OE1 3Å; R72-E75 IonicContact NE-OE2 3.09Å; R72-E75 PolarHBondContact NE-OE2 3.15Å; R72-E75 VanDerWaalsContact NE-OE2 3.09Å; R72-E75 IonicContact NH2-OE1 3.04Å; R72-E75 PolarHBondContact NH2-OE1 2.59Å; R72-E75 IonicContact NH2-OE2 3.12Å; R72-E75 PolarHBondContact NH2-OE2 3.22Å; R72-E75 WeakPolarHBondContact O-CB 3.28Å; R72-E75 PolarHBondContact O-N 2.84Å | ||
| 73 | G | 92.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58 | -19.8 | 174 | 0 | 0 | 0 | 0 | 0 | 114 | Y67 Y68 L71 E75 E76 D77 | Y67-G73 WeakPolarHBondContact O-CA 3.26Å; Y67-G73 PolarHBondContact O-N 2.82Å; Y68-G73 PolarHBondContact O-N 2.68Å; L71-G73 PolarHBondContact O-N 3.26Å; G73-E75 PolarHBondContact O-N 3.41Å; G73-E76 PolarHBondContact O-N 2.88Å; G73-D77 PolarHBondContact O-N 3.34Å |
| 74 | Y | 91.1 | Very high | 92.2 | Very high | 25 Ų | 25 | 56.3 Ų | 56.3 | 10% | 0.098 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.5 | -28.1 | 169.8 | 73.8 | -96.8 | 0 | 0 | 0 | 113.2 | L5 L9 Y68 R72 D77 M78 | L5-Y74 HydrophobicContact CD1-CD1 4.5Å; L5-Y74 HydrophobicContact CD1-CG 4.3Å; L5-Y74 HydrophobicContact CD2-CD2 3.83Å; L5-Y74 HydrophobicContact CD2-CE2 3.91Å; L5-Y74 HydrophobicContact CD2-CG 4.43Å; L9-Y74 HydrophobicContact CD1-CD1 4.33Å; L9-Y74 HydrophobicContact CD1-CE1 3.68Å; Y68-Y74 VanDerWaalsContact O-CD1 3.28Å; Y68-Y74 WeakPolarHBondContact O-CD1 3.41Å; Y68-Y74 PolarHBondContact O-N 3.01Å; R72-Y74 HydrophobicContact CB-CE1 4.07Å; R72-Y74 HydrophobicContact CG-CE1 4.19Å; R72-Y74 PolarHBondContact O-N 3.33Å; Y74-D77 PolarHBondContact O-N 3.42Å; Y74-M78 HydrophobicContact CD2-SD 4.26Å; Y74-M78 WeakPolarHBondContact O-CB 3.36Å; Y74-M78 VanDerWaalsContact O-CG 3.23Å; Y74-M78 WeakPolarHBondContact O-CG 3.48Å; Y74-M78 PolarHBondContact O-N 2.94Å |
| 75 | E | 92.2 | Very high | 92.1 | Very high | 65 Ų | 65 | 60.2 Ų | 60.2 | 30% | 0.304 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -74.3 | -39.5 | 178.4 | -62.4 | -174.8 | 173.8 | 0 | 0 | 111.3 | R72 G73 D77 M78 T79 | R72-E75 HydrophobicContact CB-CG 4.2Å; R72-E75 VanDerWaalsContact CZ-CD 3.49Å; R72-E75 IonicContact CZ-OE1 3.1Å; R72-E75 IonicContact CZ-OE2 3.15Å; R72-E75 IonicContact NE-OE1 2.84Å; R72-E75 PolarHBondContact NE-OE1 3Å; R72-E75 IonicContact NE-OE2 3.09Å; R72-E75 PolarHBondContact NE-OE2 3.15Å; R72-E75 VanDerWaalsContact NE-OE2 3.09Å; R72-E75 IonicContact NH2-OE1 3.04Å; R72-E75 PolarHBondContact NH2-OE1 2.59Å; R72-E75 IonicContact NH2-OE2 3.12Å; R72-E75 PolarHBondContact NH2-OE2 3.22Å; R72-E75 WeakPolarHBondContact O-CB 3.28Å; R72-E75 PolarHBondContact O-N 2.84Å; G73-E75 PolarHBondContact O-N 3.41Å; E75-D77 VanDerWaalsContact C-N 3.33Å; E75-M78 PolarHBondContact O-N 2.89Å; E75-T79 WeakPolarHBondContact O-CB 3.42Å; E75-T79 WeakPolarHBondContact O-CG2 3.34Å; E75-T79 PolarHBondContact O-N 2.94Å; E75-T79 PolarHBondContact O-OG1 3.33Å |
| 76 | E | 90.4 | Very high | 92.2 | Very high | 90 Ų | 90 | 62.2 Ų | 62.2 | 42% | 0.421 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 171.6 | -170.8 | 177.6 | 178.6 | 0 | 0 | 110.8 | G73 M78 T79 H80 G81 | G73-E76 PolarHBondContact O-N 2.88Å; E76-M78 VanDerWaalsContact C-N 3.34Å; E76-M78 PolarHBondContact O-N 3.45Å; E76-T79 WeakPolarHBondContact CA-OG1 3.43Å; E76-T79 PolarHBondContact O-N 3.31Å; E76-T79 PolarHBondContact O-OG1 3.49Å; E76-H80 WeakPolarHBondContact O-CA 3.44Å; E76-H80 PolarHBondContact O-N 2.99Å; E76-G81 PolarHBondContact O-N 3.41Å |
| 77 | D | 90.4 | Very high | 92.1 | Very high | 35 Ų | 35 | 58.8 Ų | 58.8 | 19% | 0.187 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 173.6 | -172.9 | 27.2 | 0 | 0 | 0 | 112.2 | Y68 G73 Y74 E75 T79 G81 M82 | Y68-D77 HydrophobicContact CE2-CB 4.06Å; Y68-D77 WeakPolarHBondContact CE2-OD2 3.23Å; Y68-D77 PolarHBondContact OH-OD2 3.07Å; G73-D77 PolarHBondContact O-N 3.34Å; Y74-D77 PolarHBondContact O-N 3.42Å; E75-D77 VanDerWaalsContact C-N 3.33Å; D77-T79 PolarHBondContact O-N 2.87Å; D77-G81 WeakPolarHBondContact O-CA 3.29Å; D77-G81 PolarHBondContact O-N 3.35Å; D77-M82 WeakPolarHBondContact OD1-CB 3.44Å; D77-M82 PolarHBondContact OD1-N 3.2Å; D77-M82 VanDerWaalsContact OD1-N 3.12Å |
| 78 | M | 88.5 | Confident | 91.9 | Very high | 123 Ų | 123 | 60.7 Ų | 60.7 | 61% | 0.606 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -69.9 | -29.5 | 177.3 | -73.8 | -179.7 | 78 | 0 | 0 | 113.8 | Y74 E75 E76 R166 | Y74-M78 HydrophobicContact CD2-SD 4.26Å; Y74-M78 WeakPolarHBondContact O-CB 3.36Å; Y74-M78 VanDerWaalsContact O-CG 3.23Å; Y74-M78 WeakPolarHBondContact O-CG 3.48Å; Y74-M78 PolarHBondContact O-N 2.94Å; E75-M78 PolarHBondContact O-N 2.89Å; E76-M78 VanDerWaalsContact C-N 3.34Å; E76-M78 PolarHBondContact O-N 3.45Å; M78-R166 PolarHBondContact O-NH2 2.95Å |
| 79 | T | 89.7 | Confident | 91.8 | Very high | 85 Ų | 85 | 62.4 Ų | 62.4 | 52% | 0.521 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -97.4 | -53.2 | -175.4 | 49.7 | 0 | 0 | 0 | 0 | 112.8 | E75 E76 D77 | E75-T79 WeakPolarHBondContact O-CB 3.42Å; E75-T79 WeakPolarHBondContact O-CG2 3.34Å; E75-T79 PolarHBondContact O-N 2.94Å; E75-T79 PolarHBondContact O-OG1 3.33Å; E76-T79 WeakPolarHBondContact CA-OG1 3.43Å; E76-T79 PolarHBondContact O-N 3.31Å; E76-T79 PolarHBondContact O-OG1 3.49Å; D77-T79 PolarHBondContact O-N 2.87Å |
| 80 | H | 89.9 | Confident | 91.8 | Very high | 122 Ų | 122 | 62.9 Ų | 62.9 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | -18.6 | -174.9 | -62.6 | -65.7 | 0 | 0 | 0 | 113.3 | E76 R166 T167 | E76-H80 WeakPolarHBondContact O-CA 3.44Å; E76-H80 PolarHBondContact O-N 2.99Å; H80-R166 WeakPolarHBondContact O-CA 3.27Å; H80-T167 PolarHBondContact O-N 3.38Å |
| 81 | G | 91 | Very high | 91.6 | Very high | 6 Ų | 6 | 60.7 Ų | 60.7 | 6% | 0.062 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | 94.4 | 165.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E76 D77 T167 | E76-G81 PolarHBondContact O-N 3.41Å; D77-G81 WeakPolarHBondContact O-CA 3.29Å; D77-G81 PolarHBondContact O-N 3.35Å; G81-T167 CarbonylContact C-O 3.45Å; G81-T167 WeakPolarHBondContact CA-O 3.44Å |
| 82 | M | 90.6 | Very high | 91.5 | Very high | 16 Ų | 16 | 58 Ų | 58 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | trans | -70.8 | 128 | -175.3 | -170.5 | 172.5 | -64.7 | 0 | 0 | 112.2 | W64 Y68 D77 W86 C87 T167 C169 | W64-M82 HydrophobicContact CH2-CE 3.83Å; W64-M82 HydrophobicContact CH2-SD 4.35Å; Y68-M82 HydrophobicContact CE2-CE 4.02Å; D77-M82 WeakPolarHBondContact OD1-CB 3.44Å; D77-M82 PolarHBondContact OD1-N 3.2Å; D77-M82 VanDerWaalsContact OD1-N 3.12Å; M82-W86 HydrophobicContact CG-CB 4Å; M82-W86 HydrophobicContact SD-CB 4.39Å; M82-C87 HydrophobicContact CG-CB 4.36Å; M82-C87 HydrophobicContact SD-CB 4.14Å; M82-T167 PolarHBondContact N-O 3.44Å; M82-T167 WeakPolarHBondContact O-CG2 3.32Å; M82-C169 HydrophobicContact CB-CB 4.21Å; M82-C169 HydrophobicContact SD-CB 3.97Å | ||
| 83 | P | 91.8 | Very high | 91.6 | Very high | 32 Ų | 32 | 52.5 Ų | 52.5 | 21% | 0.208 | 27% | 0.274 | C | S | . | . | trans | -57.3 | 143.7 | 173.3 | -26.2 | 35.1 | 0 | 0 | 0 | 112.2 | Y67 V85 W86 C87 | Y67-P83 WeakPolarHBondContact OH-CD 3.48Å; P83-V85 VanDerWaalsContact C-N 3.27Å; P83-V85 PolarHBondContact O-N 3.21Å; P83-W86 PolarHBondContact O-N 2.96Å; P83-W86 VanDerWaalsContact O-N 3.07Å; P83-C87 PolarHBondContact O-N 2.98Å | ||
| 84 | P | 91.4 | Very high | 91.6 | Very high | 67 Ų | 67 | 54.1 Ų | 54.1 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -54.2 | -40.1 | -175.7 | -29.3 | 35.8 | 0 | 0 | 0 | 114.3 | W86 C87 T88 | P84-W86 PolarHBondContact O-N 3.23Å; P84-C87 WeakPolarHBondContact O-CB 3.25Å; P84-C87 PolarHBondContact O-N 3.44Å; P84-T88 PolarHBondContact O-N 2.9Å |
| 85 | V | 93.1 | Very high | 91.5 | Very high | 96 Ų | 96 | 55.5 Ų | 55.5 | 58% | 0.582 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -59.7 | -47.6 | 178.8 | 176.7 | 0 | 0 | 0 | 0 | 111 | P83 C87 T88 L89 | P83-V85 VanDerWaalsContact C-N 3.27Å; P83-V85 PolarHBondContact O-N 3.21Å; V85-C87 VanDerWaalsContact C-N 3.34Å; V85-T88 PolarHBondContact O-N 3.02Å; V85-L89 HydrophobicContact CG1-CD1 3.68Å; V85-L89 HydrophobicContact CG1-CG 4.35Å; V85-L89 WeakPolarHBondContact O-CB 3.24Å; V85-L89 WeakPolarHBondContact O-CG 2.99Å; V85-L89 PolarHBondContact O-N 3.38Å |
| 86 | W | 93.8 | Very high | 91.5 | Very high | 56 Ų | 56 | 53.2 Ų | 53.2 | 21% | 0.212 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.3 | -34.4 | 177.8 | -69.9 | 119.4 | 0 | 0 | 0 | 111.9 | W64 Y67 M82 P83 P84 T88 L89 H90 L93 | W64-W86 AromaticContact CE3-CE3 3.87Å; W64-W86 HydrophobicContact CE3-CE3 3.87Å; W64-W86 HydrophobicContact CE3-CZ3 4.34Å; W64-W86 HydrophobicContact CZ3-CB 4.28Å; W64-W86 HydrophobicContact CZ3-CE3 4.21Å; Y67-W86 AromaticContact CD1-CD1 3.99Å; Y67-W86 AromaticContact CD1-CD2 3.56Å; Y67-W86 HydrophobicContact CD1-CD2 3.56Å; Y67-W86 AromaticContact CD1-CE2 3.55Å; Y67-W86 AromaticContact CD1-CE3 3.98Å; Y67-W86 HydrophobicContact CD1-CE3 3.98Å; Y67-W86 AromaticContact CD1-CG 3.89Å; Y67-W86 HydrophobicContact CD1-CG 3.89Å; Y67-W86 HydrophobicContact CD1-CH2 4.34Å; Y67-W86 AromaticContact CD1-CZ2 3.97Å; Y67-W86 HydrophobicContact CD1-CZ2 3.97Å; Y67-W86 HydrophobicContact CD1-CZ3 4.34Å; Y67-W86 AromaticContact CD1-NE1 3.81Å; Y67-W86 HydrophobicContact CD2-CD2 4.45Å; Y67-W86 AromaticContact CD2-CE2 3.59Å; Y67-W86 AromaticContact CD2-CZ2 3.67Å; Y67-W86 HydrophobicContact CD2-CZ2 3.67Å; Y67-W86 AromaticContact CD2-NE1 3.47Å; Y67-W86 HydrophobicContact CE1-CB 4.12Å; Y67-W86 AromaticContact CE1-CD1 3.42Å; Y67-W86 VanDerWaalsContact CE1-CD1 3.42Å; Y67-W86 AromaticContact CE1-CD2 3.74Å; Y67-W86 HydrophobicContact CE1-CD2 3.74Å; Y67-W86 AromaticContact CE1-CE2 3.83Å; Y67-W86 AromaticContact CE1-CG 3.51Å; Y67-W86 HydrophobicContact CE1-CG 3.51Å; Y67-W86 AromaticContact CE1-NE1 3.62Å; Y67-W86 AromaticContact CE2-CD1 3.7Å; Y67-W86 AromaticContact CE2-CE2 3.84Å; Y67-W86 HydrophobicContact CE2-CG 4.5Å; Y67-W86 HydrophobicContact CE2-CZ2 4.36Å; Y67-W86 AromaticContact CE2-NE1 3.23Å; Y67-W86 AromaticContact CG-CD2 3.95Å; Y67-W86 HydrophobicContact CG-CD2 3.95Å; Y67-W86 AromaticContact CG-CE2 3.42Å; Y67-W86 VanDerWaalsContact CG-CE2 3.42Å; Y67-W86 HydrophobicContact CG-CE3 4.38Å; Y67-W86 AromaticContact CG-CH2 3.93Å; Y67-W86 HydrophobicContact CG-CH2 3.93Å; Y67-W86 AromaticContact CG-CZ2 3.43Å; Y67-W86 HydrophobicContact CG-CZ2 3.43Å; Y67-W86 VanDerWaalsContact CG-CZ2 3.43Å; Y67-W86 HydrophobicContact CG-CZ3 4.38Å; Y67-W86 AromaticContact CG-NE1 3.75Å; Y67-W86 AromaticContact CZ-CD1 3.24Å; Y67-W86 AromaticContact CZ-CE2 3.96Å; Y67-W86 AromaticContact CZ-CG 3.85Å; Y67-W86 AromaticContact CZ-NE1 3.32Å; Y67-W86 VanDerWaalsContact CZ-NE1 3.32Å; M82-W86 HydrophobicContact CG-CB 4Å; M82-W86 HydrophobicContact SD-CB 4.39Å; P83-W86 PolarHBondContact O-N 2.96Å; P83-W86 VanDerWaalsContact O-N 3.07Å; P84-W86 PolarHBondContact O-N 3.23Å; W86-T88 PolarHBondContact O-N 3.03Å; W86-L89 PolarHBondContact O-N 3.39Å; W86-H90 WeakPolarHBondContact O-CB 3.19Å; W86-H90 PolarHBondContact O-CD2 2.95Å; W86-H90 PolarHBondContact O-N 3.44Å; W86-L93 HydrophobicContact CZ3-CD1 4.12Å |
| 87 | C | 92.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.8 | -30 | 174.2 | -179.2 | 0 | 0 | 0 | 0 | 113.5 | M82 P83 P84 V85 H90 T158 C169 | M82-C87 HydrophobicContact CG-CB 4.36Å; M82-C87 HydrophobicContact SD-CB 4.14Å; P83-C87 PolarHBondContact O-N 2.98Å; P84-C87 WeakPolarHBondContact O-CB 3.25Å; P84-C87 PolarHBondContact O-N 3.44Å; V85-C87 VanDerWaalsContact C-N 3.34Å; C87-H90 PolarHBondContact O-CD2 3.34Å; C87-H90 PolarHBondContact O-NE2 3.19Å; C87-T158 VanDerWaalsContact O-CB 3.32Å; C87-T158 WeakPolarHBondContact O-CB 3.42Å; C87-T158 PolarHBondContact O-OG1 2.92Å; C87-C169 WeakPolarHBondContact CA-SG 3.38Å; C87-C169 HydrophobicContact CB-CB 3.71Å; C87-C169 WeakPolarHBondContact CB-SG 3.45Å; C87-C169 WeakPolarHBondContact SG-CA 3.41Å; C87-C169 WeakPolarHBondContact SG-CB 3.27Å; C87-C169 CovalentContact SG-SG 2.04Å; C87-C169 PolarHBondContact SG-SG 3.44Å |
| 88 | T | 91.1 | Very high | 91.9 | Very high | 69 Ų | 69 | 51 Ų | 51 | 42% | 0.423 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -85.3 | -46.8 | 173.1 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | P84 V85 W86 F92 | P84-T88 PolarHBondContact O-N 2.9Å; V85-T88 PolarHBondContact O-N 3.02Å; W86-T88 PolarHBondContact O-N 3.03Å; T88-F92 WeakPolarHBondContact O-CD2 3.16Å |
| 89 | L | 93.6 | Very high | 92.2 | Very high | 75 Ų | 75 | 47.9 Ų | 47.9 | 39% | 0.393 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -75.9 | -28.9 | -171.1 | -68.5 | -179.4 | 0 | 0 | 0 | 114.4 | V85 W86 R91 F92 L93 | V85-L89 HydrophobicContact CG1-CD1 3.68Å; V85-L89 HydrophobicContact CG1-CG 4.35Å; V85-L89 WeakPolarHBondContact O-CB 3.24Å; V85-L89 WeakPolarHBondContact O-CG 2.99Å; V85-L89 PolarHBondContact O-N 3.38Å; W86-L89 PolarHBondContact O-N 3.39Å; L89-R91 PolarHBondContact O-N 2.9Å; L89-R91 VanDerWaalsContact O-N 3.11Å; L89-F92 PolarHBondContact O-N 2.97Å; L89-L93 HydrophobicContact CB-CD1 3.96Å; L89-L93 WeakPolarHBondContact O-CG 3.39Å; L89-L93 PolarHBondContact O-N 3.21Å |
| 90 | H | 92.4 | Very high | 92.4 | Very high | 25 Ų | 25 | 44.5 Ų | 44.5 | 12% | 0.116 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -54.2 | -41.3 | -171.8 | 78.5 | 87.3 | 0 | 0 | 0 | 111.9 | W64 W86 C87 S94 Q171 | W64-H90 HydrophobicContact CD2-CB 3.83Å; W64-H90 HydrophobicContact CE3-CB 3.44Å; W64-H90 VanDerWaalsContact CE3-CB 3.44Å; W64-H90 HydrophobicContact CH2-CB 3.5Å; W64-H90 VanDerWaalsContact CH2-CB 3.5Å; W64-H90 HydrophobicContact CZ2-CB 3.89Å; W64-H90 HydrophobicContact CZ3-CB 3.27Å; W86-H90 WeakPolarHBondContact O-CB 3.19Å; W86-H90 PolarHBondContact O-CD2 2.95Å; W86-H90 PolarHBondContact O-N 3.44Å; C87-H90 PolarHBondContact O-CD2 3.34Å; C87-H90 PolarHBondContact O-NE2 3.19Å; H90-S94 WeakPolarHBondContact O-CB 3.48Å; H90-S94 PolarHBondContact O-N 3.39Å; H90-S94 PolarHBondContact O-OG 2.88Å; H90-Q171 PolarHBondContact CE1-NE2 3.06Å; H90-Q171 VanDerWaalsContact CE1-NE2 3.31Å |
| 91 | R | 90.7 | Very high | 92.8 | Very high | 11 Ų | 11 | 41.4 Ų | 41.4 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.9 | -38 | -177.5 | -177.1 | 175.8 | 160.5 | -142.7 | 5 | 112 | L89 E95 I96 M152 V153 R156 | L89-R91 PolarHBondContact O-N 2.9Å; L89-R91 VanDerWaalsContact O-N 3.11Å; R91-E95 WeakPolarHBondContact O-CB 3.23Å; R91-E95 PolarHBondContact O-N 2.84Å; R91-E95 VanDerWaalsContact O-N 3.15Å; R91-I96 HydrophobicContact CG-CD1 3.81Å; R91-I96 HydrophobicContact CG-CG1 4.24Å; R91-I96 PolarHBondContact O-N 3.04Å; R91-M152 PolarHBondContact NH2-O 3.47Å; R91-V153 PolarHBondContact NH1-O 3.07Å; R91-V153 VanDerWaalsContact NH2-C 3.26Å; R91-V153 PolarHBondContact NH2-O 2.87Å; R91-R156 PolarHBondContact NH1-O 3.23Å; R91-R156 PolarHBondContact NH2-O 3.45Å |
| 92 | F | 93.3 | Very high | 92.9 | Very high | 73 Ų | 73 | 42.1 Ų | 42.1 | 32% | 0.32 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -68.3 | -45.8 | 177.1 | -69.8 | -78 | 0 | 0 | 0 | 111.2 | T88 L89 I96 L97 V153 | T88-F92 WeakPolarHBondContact O-CD2 3.16Å; L89-F92 PolarHBondContact O-N 2.97Å; F92-I96 HydrophobicContact CD1-CB 4.4Å; F92-I96 HydrophobicContact CD1-CD1 3.68Å; F92-I96 HydrophobicContact CD1-CG2 4.49Å; F92-I96 HydrophobicContact CE1-CD1 3.77Å; F92-I96 HydrophobicContact CG-CD1 4.28Å; F92-I96 HydrophobicContact CZ-CD1 4.43Å; F92-L97 HydrophobicContact CB-CD1 4.45Å; F92-L97 VanDerWaalsContact O-CB 3.25Å; F92-L97 WeakPolarHBondContact O-CB 3.39Å; F92-L97 WeakPolarHBondContact O-CG 3.41Å; F92-L97 PolarHBondContact O-N 3.28Å; F92-V153 HydrophobicContact CE1-CG1 4.08Å |
| 93 | L | 94.9 | Very high | 93.2 | Very high | 27 Ų | 27 | 41.4 Ų | 41.4 | 14% | 0.141 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -76.1 | -39.5 | -175.5 | -63 | 172.5 | 0 | 0 | 0 | 112.7 | S60 S61 P63 W64 W86 L89 L97 P98 | S60-L93 WeakPolarHBondContact O-CD2 3.19Å; S61-L93 VanDerWaalsContact CA-O 3.25Å; S61-L93 WeakPolarHBondContact CA-O 3.47Å; P63-L93 HydrophobicContact CB-CD1 4.2Å; W64-L93 HydrophobicContact CB-CB 3.91Å; W86-L93 HydrophobicContact CZ3-CD1 4.12Å; L89-L93 HydrophobicContact CB-CD1 3.96Å; L89-L93 WeakPolarHBondContact O-CG 3.39Å; L89-L93 PolarHBondContact O-N 3.21Å; L93-L97 HydrophobicContact CD2-CD1 4.33Å; L93-P98 VanDerWaalsContact O-CD 3.24Å; L93-P98 WeakPolarHBondContact O-CD 3.38Å; L93-P98 WeakPolarHBondContact O-CG 3.04Å |
| 94 | S | 90.7 | Very high | 93.5 | Very high | 38 Ų | 38 | 40.1 Ų | 40.1 | 27% | 0.266 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -89.4 | -27.2 | -175.7 | 68.7 | 0 | 0 | 0 | 0 | 114.8 | W64 H90 | W64-S94 VanDerWaalsContact CD1-CB 3.4Å; H90-S94 WeakPolarHBondContact O-CB 3.48Å; H90-S94 PolarHBondContact O-N 3.39Å; H90-S94 PolarHBondContact O-OG 2.88Å |
| 95 | E | 89.7 | Confident | 93.7 | Very high | 54 Ų | 54 | 37.1 Ų | 37.1 | 25% | 0.252 | 19% | 0.192 | S | C | . | . | I | π-helix | trans | -122.1 | -57.6 | -169.6 | -173.3 | -179 | -178.2 | 0 | 0 | 112.3 | R91 R99 | R91-E95 WeakPolarHBondContact O-CB 3.23Å; R91-E95 PolarHBondContact O-N 2.84Å; R91-E95 VanDerWaalsContact O-N 3.15Å; E95-R99 WeakPolarHBondContact O-CB 3.49Å; E95-R99 PolarHBondContact O-N 3.46Å |
| 96 | I | 92.7 | Very high | 93.8 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 9% | 0.087 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -75.8 | -56.4 | -167.4 | -61.2 | 165.1 | 0 | 0 | 0 | 111.9 | R91 F92 R99 A100 V153 | R91-I96 HydrophobicContact CG-CD1 3.81Å; R91-I96 HydrophobicContact CG-CG1 4.24Å; R91-I96 PolarHBondContact O-N 3.04Å; F92-I96 HydrophobicContact CD1-CB 4.4Å; F92-I96 HydrophobicContact CD1-CD1 3.68Å; F92-I96 HydrophobicContact CD1-CG2 4.49Å; F92-I96 HydrophobicContact CE1-CD1 3.77Å; F92-I96 HydrophobicContact CG-CD1 4.28Å; F92-I96 HydrophobicContact CZ-CD1 4.43Å; I96-R99 PolarHBondContact O-N 2.91Å; I96-A100 WeakPolarHBondContact O-CB 3.47Å; I96-A100 PolarHBondContact O-N 3.39Å; I96-V153 HydrophobicContact CD1-CB 4.38Å; I96-V153 HydrophobicContact CD1-CG1 4.25Å; I96-V153 HydrophobicContact CD1-CG2 3.92Å; I96-V153 HydrophobicContact CG1-CG2 4.19Å; I96-V153 HydrophobicContact CG2-CG2 3.52Å |
| 97 | L | 95 | Very high | 93.9 | Very high | 63 Ų | 63 | 33 Ų | 33 | 33% | 0.33 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.9 | -48.3 | -174.4 | -69.1 | 172 | 0 | 0 | 0 | 112.5 | F92 L93 R99 A100 F101 | F92-L97 HydrophobicContact CB-CD1 4.45Å; F92-L97 VanDerWaalsContact O-CB 3.25Å; F92-L97 WeakPolarHBondContact O-CB 3.39Å; F92-L97 WeakPolarHBondContact O-CG 3.41Å; F92-L97 PolarHBondContact O-N 3.28Å; L93-L97 HydrophobicContact CD2-CD1 4.33Å; L97-R99 VanDerWaalsContact C-N 3.26Å; L97-R99 PolarHBondContact O-N 3.49Å; L97-A100 PolarHBondContact O-N 3.39Å; L97-F101 HydrophobicContact CB-CD2 4.38Å; L97-F101 HydrophobicContact CB-CE2 4.14Å; L97-F101 HydrophobicContact CD2-CE2 4.3Å; L97-F101 WeakPolarHBondContact O-CD2 3.37Å; L97-F101 PolarHBondContact O-N 2.85Å |
| 98 | P | 94.4 | Very high | 94.2 | Very high | 17 Ų | 17 | 33 Ų | 33 | 11% | 0.11 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61 | -39.4 | 178.9 | -21.6 | 33 | 0 | 0 | 0 | 111.5 | T57 L93 H102 | T57-P98 HydrophobicContact CG2-CB 4.38Å; L93-P98 VanDerWaalsContact O-CD 3.24Å; L93-P98 WeakPolarHBondContact O-CD 3.38Å; L93-P98 WeakPolarHBondContact O-CG 3.04Å; P98-H102 WeakPolarHBondContact O-CB 3.31Å; P98-H102 PolarHBondContact O-N 3.1Å |
| 99 | R | 93.4 | Very high | 94.4 | Very high | 56 Ų | 56 | 31 Ų | 31 | 21% | 0.211 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.1 | -48.2 | 176.9 | -174 | -170 | -68.2 | -105.5 | -3.2 | 111.4 | E95 I96 L97 F101 H102 T103 E149 Y260 | E95-R99 WeakPolarHBondContact O-CB 3.49Å; E95-R99 PolarHBondContact O-N 3.46Å; I96-R99 PolarHBondContact O-N 2.91Å; L97-R99 VanDerWaalsContact C-N 3.26Å; L97-R99 PolarHBondContact O-N 3.49Å; R99-F101 PolarHBondContact O-N 3.36Å; R99-H102 PolarHBondContact O-N 3.1Å; R99-T103 WeakPolarHBondContact O-CB 3.28Å; R99-T103 PolarHBondContact O-N 3.4Å; R99-T103 PolarHBondContact O-OG1 3.43Å; R99-E149 VanDerWaalsContact CD-CD 3.41Å; R99-E149 WeakPolarHBondContact CD-OE1 3.5Å; R99-E149 WeakPolarHBondContact CD-OE2 3.21Å; R99-E149 WeakPolarHBondContact CG-OE1 3.5Å; R99-Y260 PolarHBondContact NH1-OH 3.37Å; R99-Y260 PolarHBondContact NH2-OH 3Å |
| 100 | A | 95.7 | Very high | 94.5 | Very high | 15 Ų | 15 | 27.8 Ų | 27.8 | 12% | 0.124 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.6 | -47.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I96 L97 T103 A104 E149 | I96-A100 WeakPolarHBondContact O-CB 3.47Å; I96-A100 PolarHBondContact O-N 3.39Å; L97-A100 PolarHBondContact O-N 3.39Å; A100-T103 PolarHBondContact O-N 2.86Å; A100-A104 WeakPolarHBondContact O-CB 3.38Å; A100-A104 PolarHBondContact O-N 3.2Å; A100-E149 HydrophobicContact CB-CG 3.98Å |
| 101 | F | 96.7 | Very high | 94.7 | Very high | 56 Ų | 56 | 27.4 Ų | 27.4 | 25% | 0.246 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.8 | -39.2 | 178.5 | -70.2 | -54.2 | 0 | 0 | 0 | 112.6 | L56 T57 L97 R99 A104 A105 | L56-F101 HydrophobicContact CB-CB 4.4Å; L56-F101 HydrophobicContact CB-CD1 3.85Å; L56-F101 HydrophobicContact CB-CD2 3.82Å; L56-F101 HydrophobicContact CB-CE1 4.02Å; L56-F101 HydrophobicContact CB-CE2 3.99Å; L56-F101 HydrophobicContact CB-CG 3.77Å; L56-F101 HydrophobicContact CB-CZ 4.09Å; L56-F101 HydrophobicContact CD1-CD1 4.02Å; L56-F101 HydrophobicContact CD1-CE1 3.66Å; L56-F101 HydrophobicContact CD1-CZ 4.09Å; L56-F101 HydrophobicContact CG-CE1 4.42Å; T57-F101 VanDerWaalsContact OG1-CB 3.3Å; T57-F101 WeakPolarHBondContact OG1-CB 3.47Å; L97-F101 HydrophobicContact CB-CD2 4.38Å; L97-F101 HydrophobicContact CB-CE2 4.14Å; L97-F101 HydrophobicContact CD2-CE2 4.3Å; L97-F101 WeakPolarHBondContact O-CD2 3.37Å; L97-F101 PolarHBondContact O-N 2.85Å; R99-F101 PolarHBondContact O-N 3.36Å; F101-A104 WeakPolarHBondContact O-CB 3.5Å; F101-A104 PolarHBondContact O-N 2.93Å; F101-A105 PolarHBondContact O-N 3.19Å |
| 102 | H | 94.8 | Very high | 94.8 | Very high | 22 Ų | 22 | 27.6 Ų | 27.6 | 10% | 0.102 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.4 | -45 | 176.8 | 178.2 | 59.4 | 0 | 0 | 0 | 111.7 | T57 P98 R99 A104 A105 I106 E253 R287 | T57-H102 HydrophobicContact CG2-CB 3.89Å; T57-H102 PolarHBondContact OG1-N 2.92Å; P98-H102 WeakPolarHBondContact O-CB 3.31Å; P98-H102 PolarHBondContact O-N 3.1Å; R99-H102 PolarHBondContact O-N 3.1Å; H102-A104 PolarHBondContact O-N 3.49Å; H102-A105 WeakPolarHBondContact O-CB 3.42Å; H102-A105 PolarHBondContact O-N 3.14Å; H102-A105 VanDerWaalsContact O-N 3.08Å; H102-I106 WeakPolarHBondContact O-CG1 3.25Å; H102-I106 PolarHBondContact O-N 3.07Å; H102-E253 IonicContact CE1-OE1 3.94Å; H102-E253 PolarHBondContact CE1-OE1 2.98Å; H102-E253 VanDerWaalsContact CE1-OE1 3.25Å; H102-E253 IonicContact NE2-OE1 3.97Å; H102-E253 PolarHBondContact NE2-OE1 3.31Å; H102-E253 IonicContact NE2-OE2 2.64Å; H102-R287 PolarHBondContact NE2-NH2 3.45Å |
| 103 | T | 95.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.8 | -41.1 | 172.8 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | R99 A100 I106 W107 A145 L148 E149 V197 | R99-T103 WeakPolarHBondContact O-CB 3.28Å; R99-T103 PolarHBondContact O-N 3.4Å; R99-T103 PolarHBondContact O-OG1 3.43Å; A100-T103 PolarHBondContact O-N 2.86Å; T103-I106 PolarHBondContact O-N 2.75Å; T103-W107 PolarHBondContact O-N 3.26Å; T103-A145 HydrophobicContact CG2-CB 3.98Å; T103-L148 HydrophobicContact CG2-CD1 4.02Å; T103-E149 PolarHBondContact OG1-OE1 2.89Å; T103-V197 HydrophobicContact CG2-CG1 4.06Å; T103-V197 HydrophobicContact CG2-CG2 4.18Å; T103-V197 VanDerWaalsContact OG1-CG1 3.31Å; T103-V197 WeakPolarHBondContact OG1-CG1 3.46Å |
| 104 | A | 97.7 | Very high | 94.7 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 3% | 0.033 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | T53 A100 F101 H102 I106 W107 L108 A145 | T53-A104 HydrophobicContact CG2-CB 4.09Å; A100-A104 WeakPolarHBondContact O-CB 3.38Å; A100-A104 PolarHBondContact O-N 3.2Å; F101-A104 WeakPolarHBondContact O-CB 3.5Å; F101-A104 PolarHBondContact O-N 2.93Å; H102-A104 PolarHBondContact O-N 3.49Å; A104-I106 VanDerWaalsContact C-N 3.33Å; A104-I106 PolarHBondContact O-N 2.87Å; A104-W107 PolarHBondContact O-N 3.32Å; A104-L108 WeakPolarHBondContact O-CB 3.42Å; A104-L108 WeakPolarHBondContact O-CG 3.38Å; A104-L108 PolarHBondContact O-N 3.34Å; A104-A145 HydrophobicContact CB-CB 3.72Å |
| 105 | A | 95.9 | Very high | 94.8 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 3% | 0.033 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.3 | -43 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T53 E54 F101 H102 L108 T109 | T53-A105 WeakPolarHBondContact OG1-CB 3.28Å; E54-A105 HydrophobicContact CG-CB 3.92Å; F101-A105 PolarHBondContact O-N 3.19Å; H102-A105 WeakPolarHBondContact O-CB 3.42Å; H102-A105 PolarHBondContact O-N 3.14Å; H102-A105 VanDerWaalsContact O-N 3.08Å; A105-L108 PolarHBondContact O-N 2.91Å; A105-T109 PolarHBondContact O-N 3.3Å; A105-T109 PolarHBondContact O-OG1 3.04Å |
| 106 | I | 94.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.2 | -52 | 175.9 | -68.6 | 174.5 | 0 | 0 | 0 | 110.7 | H102 T103 A104 L108 T109 V110 P201 F249 | H102-I106 WeakPolarHBondContact O-CG1 3.25Å; H102-I106 PolarHBondContact O-N 3.07Å; T103-I106 PolarHBondContact O-N 2.75Å; A104-I106 VanDerWaalsContact C-N 3.33Å; A104-I106 PolarHBondContact O-N 2.87Å; I106-L108 VanDerWaalsContact C-N 3.35Å; I106-L108 PolarHBondContact O-N 3.47Å; I106-T109 WeakPolarHBondContact O-CA 3.22Å; I106-T109 VanDerWaalsContact O-CB 3.23Å; I106-T109 WeakPolarHBondContact O-CB 3.45Å; I106-T109 PolarHBondContact O-N 2.68Å; I106-V110 PolarHBondContact O-N 3.17Å; I106-V110 VanDerWaalsContact O-N 3.08Å; I106-P201 HydrophobicContact CG2-CB 3.37Å; I106-P201 HydrophobicContact CG2-CG 3.55Å; I106-F249 HydrophobicContact CB-CZ 4.19Å; I106-F249 HydrophobicContact CG1-CE2 4.07Å; I106-F249 HydrophobicContact CG1-CZ 3.83Å; I106-F249 HydrophobicContact CG2-CZ 3.92Å |
| 107 | W | 97.5 | Very high | 94.7 | Very high | 63 Ų | 63 | 30.6 Ų | 30.6 | 24% | 0.239 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.7 | -30.6 | -179 | -82.1 | 103.8 | 0 | 0 | 0 | 113.3 | T103 A104 T109 V110 L111 T141 F196 P201 L204 | T103-W107 PolarHBondContact O-N 3.26Å; A104-W107 PolarHBondContact O-N 3.32Å; W107-T109 VanDerWaalsContact C-N 3.26Å; W107-T109 PolarHBondContact O-N 2.95Å; W107-V110 HydrophobicContact CE3-CB 4.16Å; W107-V110 HydrophobicContact CE3-CG1 4.29Å; W107-V110 HydrophobicContact CE3-CG2 4.16Å; W107-V110 HydrophobicContact CZ3-CG1 4.32Å; W107-V110 WeakPolarHBondContact O-CB 3.36Å; W107-V110 PolarHBondContact O-N 3.41Å; W107-L111 PolarHBondContact O-N 3.45Å; W107-T141 HydrophobicContact CB-CG2 3.47Å; W107-T141 VanDerWaalsContact CB-CG2 3.47Å; W107-F196 VanDerWaalsContact CZ2-O 3.28Å; W107-F196 WeakPolarHBondContact CZ2-O 3.48Å; W107-F196 PolarHBondContact NE1-O 3.44Å; W107-P201 HydrophobicContact CD2-CB 4.4Å; W107-P201 HydrophobicContact CZ2-CB 4.41Å; W107-P201 HydrophobicContact CZ2-CG 4.45Å; W107-L204 HydrophobicContact CH2-CD1 3.85Å; W107-L204 HydrophobicContact CZ3-CD1 3.72Å |
| 108 | L | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.7 | -31.7 | 170 | -72.8 | 170 | 0 | 0 | 0 | 111.5 | I46 M50 T53 A104 A105 I106 L111 L112 I138 T141 | I46-L108 HydrophobicContact CG2-CB 4.46Å; I46-L108 WeakPolarHBondContact CG2-O 3.04Å; M50-L108 HydrophobicContact CG-CB 3.36Å; M50-L108 HydrophobicContact CG-CD1 4.14Å; M50-L108 HydrophobicContact CG-CG 4.39Å; M50-L108 VanDerWaalsContact SD-C 3.56Å; M50-L108 HydrophobicContact SD-CB 4.06Å; T53-L108 HydrophobicContact CG2-CD1 3.99Å; A104-L108 WeakPolarHBondContact O-CB 3.42Å; A104-L108 WeakPolarHBondContact O-CG 3.38Å; A104-L108 PolarHBondContact O-N 3.34Å; A105-L108 PolarHBondContact O-N 2.91Å; I106-L108 VanDerWaalsContact C-N 3.35Å; I106-L108 PolarHBondContact O-N 3.47Å; L108-L111 HydrophobicContact CD2-CD2 4.18Å; L108-L111 WeakPolarHBondContact O-CB 3.46Å; L108-L111 PolarHBondContact O-N 2.78Å; L108-L112 WeakPolarHBondContact O-CB 3.46Å; L108-L112 PolarHBondContact O-N 3.13Å; L108-I138 HydrophobicContact CD2-CB 4.38Å; L108-I138 HydrophobicContact CD2-CG1 4.25Å; L108-I138 HydrophobicContact CD2-CG2 4.13Å; L108-T141 HydrophobicContact CD2-CG2 4.07Å; L108-T141 HydrophobicContact CG-CG2 4.08Å |
| 109 | T | 94.8 | Very high | 93.9 | Very high | 27 Ų | 27 | 30.8 Ų | 30.8 | 17% | 0.166 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.1 | -41.7 | 172.3 | -51.1 | 0 | 0 | 0 | 0 | 110.5 | M50 A105 I106 W107 L112 S113 L205 | M50-T109 WeakPolarHBondContact SD-CA 3.39Å; M50-T109 HydrophobicContact SD-CG2 4.5Å; M50-T109 PolarHBondContact SD-N 2.04Å; M50-T109 VanDerWaalsContact SD-N 3.38Å; M50-T109 PolarHBondContact SD-OG1 2.9Å; A105-T109 PolarHBondContact O-N 3.3Å; A105-T109 PolarHBondContact O-OG1 3.04Å; I106-T109 WeakPolarHBondContact O-CA 3.22Å; I106-T109 VanDerWaalsContact O-CB 3.23Å; I106-T109 WeakPolarHBondContact O-CB 3.45Å; I106-T109 PolarHBondContact O-N 2.68Å; W107-T109 VanDerWaalsContact C-N 3.26Å; W107-T109 PolarHBondContact O-N 2.95Å; T109-L112 WeakPolarHBondContact O-CB 3.35Å; T109-L112 PolarHBondContact O-N 3.03Å; T109-S113 PolarHBondContact O-N 3.13Å; T109-L205 HydrophobicContact CG2-CD1 4.26Å; T109-L205 HydrophobicContact CG2-CD2 3.66Å; T109-L205 WeakPolarHBondContact O-CD2 3.17Å |
| 110 | V | 96.1 | Very high | 93.4 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 5% | 0.048 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.8 | -50.2 | 171.8 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | I106 W107 L112 S113 M114 P201 L204 L205 Y208 | I106-V110 PolarHBondContact O-N 3.17Å; I106-V110 VanDerWaalsContact O-N 3.08Å; W107-V110 HydrophobicContact CE3-CB 4.16Å; W107-V110 HydrophobicContact CE3-CG1 4.29Å; W107-V110 HydrophobicContact CE3-CG2 4.16Å; W107-V110 HydrophobicContact CZ3-CG1 4.32Å; W107-V110 WeakPolarHBondContact O-CB 3.36Å; W107-V110 PolarHBondContact O-N 3.41Å; V110-L112 VanDerWaalsContact C-N 3.28Å; V110-L112 PolarHBondContact O-N 2.64Å; V110-S113 PolarHBondContact O-N 2.61Å; V110-S113 VanDerWaalsContact O-N 3.11Å; V110-S113 PolarHBondContact O-OG 3.26Å; V110-M114 WeakPolarHBondContact O-CB 3.38Å; V110-M114 PolarHBondContact O-N 3.05Å; V110-P201 HydrophobicContact CG2-CB 3.67Å; V110-L204 HydrophobicContact CG1-CB 3.93Å; V110-L204 HydrophobicContact CG1-CD1 4.16Å; V110-L204 HydrophobicContact CG2-CB 4.44Å; V110-L205 HydrophobicContact CG2-CD1 4.34Å; V110-L205 HydrophobicContact CG2-CD2 4.17Å; V110-L205 HydrophobicContact CG2-CG 3.81Å; V110-Y208 HydrophobicContact CG1-CD2 4.37Å; V110-Y208 HydrophobicContact CG1-CE2 4.25Å |
| 111 | L | 96.1 | Very high | 92.6 | Very high | 17 Ų | 17 | 30.6 Ų | 30.6 | 9% | 0.089 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.2 | -40.6 | 178.1 | -178.6 | 62.8 | 0 | 0 | 0 | 111.9 | I46 W107 L108 M114 R115 P137 I138 | I46-L111 HydrophobicContact CD1-CD2 4.38Å; I46-L111 HydrophobicContact CD1-CG 4.09Å; I46-L111 HydrophobicContact CG1-CD2 4.42Å; W107-L111 PolarHBondContact O-N 3.45Å; L108-L111 HydrophobicContact CD2-CD2 4.18Å; L108-L111 WeakPolarHBondContact O-CB 3.46Å; L108-L111 PolarHBondContact O-N 2.78Å; L111-M114 HydrophobicContact CD1-CE 3.73Å; L111-R115 WeakPolarHBondContact O-CB 3.42Å; L111-R115 PolarHBondContact O-N 3.5Å; L111-P137 HydrophobicContact CD1-CB 4.02Å; L111-P137 HydrophobicContact CD2-CB 4.09Å; L111-I138 HydrophobicContact CD2-CG1 4.06Å |
| 112 | L | 94.1 | Very high | 91.6 | Very high | 16 Ų | 16 | 30.8 Ų | 30.8 | 8% | 0.084 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.6 | -51 | 174.7 | -176.8 | 80.3 | 0 | 0 | 0 | 111.3 | T43 I46 L47 M50 L108 T109 V110 R115 R116 | T43-L112 HydrophobicContact CG2-CD1 3.53Å; I46-L112 HydrophobicContact CB-CD1 4.07Å; I46-L112 HydrophobicContact CG2-CB 3.9Å; I46-L112 HydrophobicContact CG2-CD1 4.12Å; L47-L112 HydrophobicContact CD2-CD1 3.77Å; L47-L112 HydrophobicContact CD2-CD2 3.59Å; L47-L112 HydrophobicContact CD2-CG 4.31Å; L47-L112 HydrophobicContact CG-CD1 3.96Å; M50-L112 HydrophobicContact CE-CB 4.1Å; M50-L112 HydrophobicContact CE-CD1 4.2Å; M50-L112 HydrophobicContact CE-CD2 3.85Å; M50-L112 HydrophobicContact CE-CG 4.24Å; L108-L112 WeakPolarHBondContact O-CB 3.46Å; L108-L112 PolarHBondContact O-N 3.13Å; T109-L112 WeakPolarHBondContact O-CB 3.35Å; T109-L112 PolarHBondContact O-N 3.03Å; V110-L112 VanDerWaalsContact C-N 3.28Å; V110-L112 PolarHBondContact O-N 2.64Å; L112-R115 PolarHBondContact O-N 3.31Å; L112-R116 WeakPolarHBondContact O-CB 3.32Å; L112-R116 VanDerWaalsContact O-CG 3.31Å; L112-R116 WeakPolarHBondContact O-CG 3.32Å; L112-R116 PolarHBondContact O-N 2.97Å |
| 113 | S | 92.7 | Very high | 90.4 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | -178.3 | 71.5 | 0 | 0 | 0 | 0 | 111.7 | T109 V110 R115 R116 Y117 Y208 | T109-S113 PolarHBondContact O-N 3.13Å; V110-S113 PolarHBondContact O-N 2.61Å; V110-S113 VanDerWaalsContact O-N 3.11Å; V110-S113 PolarHBondContact O-OG 3.26Å; S113-R115 PolarHBondContact O-N 3.39Å; S113-R116 PolarHBondContact O-N 3.1Å; S113-Y117 PolarHBondContact O-N 3.11Å; S113-Y208 WeakPolarHBondContact OG-CB 3.14Å |
| 114 | M | 93 | Very high | 88.7 | Confident | 68 Ų | 68 | 37.8 Ų | 37.8 | 34% | 0.335 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.7 | -47 | 174.6 | -176.2 | -171 | 77.4 | 0 | 0 | 110.6 | V110 L111 R116 Y117 C118 Y208 | V110-M114 WeakPolarHBondContact O-CB 3.38Å; V110-M114 PolarHBondContact O-N 3.05Å; L111-M114 HydrophobicContact CD1-CE 3.73Å; M114-R116 PolarHBondContact O-N 3.17Å; M114-Y117 PolarHBondContact O-N 3.42Å; M114-C118 WeakPolarHBondContact O-CB 3.03Å; M114-C118 PolarHBondContact O-N 3.29Å; M114-C118 PolarHBondContact O-SG 3.14Å; M114-Y208 HydrophobicContact CB-CD1 4.25Å; M114-Y208 HydrophobicContact CB-CD2 4.04Å; M114-Y208 HydrophobicContact CB-CE1 4.14Å; M114-Y208 HydrophobicContact CB-CE2 3.91Å; M114-Y208 HydrophobicContact CB-CG 4.22Å; M114-Y208 HydrophobicContact CG-CD1 4.37Å; M114-Y208 HydrophobicContact CG-CE1 3.84Å; M114-Y208 HydrophobicContact CG-CE2 4.18Å |
| 115 | R | 92.4 | Very high | 87.1 | Confident | 75 Ų | 75 | 42.3 Ų | 42.3 | 28% | 0.283 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63 | -40.3 | 179.4 | 177.8 | 61.5 | -170.9 | 160.4 | 10.3 | 112.2 | I46 L111 L112 S113 T119 | I46-R115 HydrophobicContact CD1-CB 3.98Å; I46-R115 HydrophobicContact CD1-CG 4.04Å; L111-R115 WeakPolarHBondContact O-CB 3.42Å; L111-R115 PolarHBondContact O-N 3.5Å; L112-R115 PolarHBondContact O-N 3.31Å; S113-R115 PolarHBondContact O-N 3.39Å; R115-T119 PolarHBondContact NE-OG1 3.43Å; R115-T119 VanDerWaalsContact NE-OG1 3.13Å; R115-T119 PolarHBondContact NH2-OG1 3.42Å; R115-T119 VanDerWaalsContact O-CB 3.3Å; R115-T119 WeakPolarHBondContact O-CB 2.93Å; R115-T119 PolarHBondContact O-N 3.19Å; R115-T119 PolarHBondContact O-OG1 3.43Å |
| 116 | R | 90.5 | Very high | 85.8 | Confident | 55 Ų | 55 | 53.6 Ų | 53.6 | 21% | 0.208 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 176 | -75.1 | 176.3 | -179.8 | -153 | 1.3 | 110.5 | T43 L112 S113 M114 T119 V120 L212 L242 | T43-R116 HydrophobicContact CG2-CG 4.28Å; L112-R116 WeakPolarHBondContact O-CB 3.32Å; L112-R116 VanDerWaalsContact O-CG 3.31Å; L112-R116 WeakPolarHBondContact O-CG 3.32Å; L112-R116 PolarHBondContact O-N 2.97Å; S113-R116 PolarHBondContact O-N 3.1Å; M114-R116 PolarHBondContact O-N 3.17Å; R116-T119 PolarHBondContact O-N 3.13Å; R116-V120 WeakPolarHBondContact O-CB 3.48Å; R116-V120 VanDerWaalsContact O-CG2 3.28Å; R116-V120 WeakPolarHBondContact O-CG2 3.37Å; R116-V120 PolarHBondContact O-N 3.37Å; R116-L212 HydrophobicContact CB-CD2 3.93Å; R116-L242 VanDerWaalsContact NH1-CD2 3.26Å |
| 117 | Y | 89.6 | Confident | 84.3 | Confident | 65 Ų | 65 | 63 Ų | 63 | 26% | 0.255 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.4 | -53.3 | 174.8 | 175.5 | -106 | 0 | 0 | 0 | 111.6 | S113 M114 T119 V120 S121 Y208 L211 | S113-Y117 PolarHBondContact O-N 3.11Å; M114-Y117 PolarHBondContact O-N 3.42Å; Y117-T119 PolarHBondContact O-N 2.84Å; Y117-V120 PolarHBondContact O-N 3.45Å; Y117-S121 WeakPolarHBondContact O-CB 3.34Å; Y117-S121 PolarHBondContact O-N 3.16Å; Y117-S121 PolarHBondContact O-OG 3.25Å; Y117-Y208 HydrophobicContact CD1-CD1 4.48Å; Y117-L211 HydrophobicContact CD2-CB 3.88Å; Y117-L211 HydrophobicContact CE2-CB 3.72Å |
| 118 | C | 87.8 | Confident | 82.4 | Confident | 46 Ų | 46 | 66 Ų | 66 | 31% | 0.311 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | -179.7 | -67.4 | 0 | 0 | 0 | 0 | 112.8 | M114 S121 T122 | M114-C118 WeakPolarHBondContact O-CB 3.03Å; M114-C118 PolarHBondContact O-N 3.29Å; M114-C118 PolarHBondContact O-SG 3.14Å; C118-S121 WeakPolarHBondContact CA-OG 3.27Å; C118-S121 PolarHBondContact O-N 3.35Å; C118-S121 PolarHBondContact O-OG 3.07Å; C118-S121 VanDerWaalsContact O-OG 3.05Å; C118-T122 WeakPolarHBondContact O-CB 3.07Å; C118-T122 WeakPolarHBondContact O-CG2 3.46Å; C118-T122 PolarHBondContact O-N 3.43Å; C118-T122 PolarHBondContact O-OG1 2.9Å |
| 119 | T | 84.8 | Confident | 80.6 | Confident | 37 Ų | 37 | 68.9 Ų | 68.9 | 23% | 0.227 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.8 | -42.9 | -179.7 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | R115 R116 Y117 V123 | R115-T119 PolarHBondContact NE-OG1 3.43Å; R115-T119 VanDerWaalsContact NE-OG1 3.13Å; R115-T119 PolarHBondContact NH2-OG1 3.42Å; R115-T119 VanDerWaalsContact O-CB 3.3Å; R115-T119 WeakPolarHBondContact O-CB 2.93Å; R115-T119 PolarHBondContact O-N 3.19Å; R115-T119 PolarHBondContact O-OG1 3.43Å; R116-T119 PolarHBondContact O-N 3.13Å; Y117-T119 PolarHBondContact O-N 2.84Å; T119-V123 HydrophobicContact CG2-CG2 4.27Å; T119-V123 WeakPolarHBondContact O-CB 3.16Å; T119-V123 WeakPolarHBondContact O-CG2 3.2Å; T119-V123 PolarHBondContact O-N 3.47Å |
| 120 | V | 82.6 | Confident | 79.3 | Confident | 46 Ų | 46 | 78.1 Ų | 78.1 | 28% | 0.279 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.8 | -45 | 177 | 172.2 | 0 | 0 | 0 | 0 | 109.4 | R116 Y117 L124 L212 F215 | R116-V120 WeakPolarHBondContact O-CB 3.48Å; R116-V120 VanDerWaalsContact O-CG2 3.28Å; R116-V120 WeakPolarHBondContact O-CG2 3.37Å; R116-V120 PolarHBondContact O-N 3.37Å; Y117-V120 PolarHBondContact O-N 3.45Å; V120-L124 HydrophobicContact CG1-CD1 3.69Å; V120-L124 WeakPolarHBondContact O-CB 3.36Å; V120-L124 WeakPolarHBondContact O-CD1 3.26Å; V120-L124 WeakPolarHBondContact O-CG 3.47Å; V120-L124 PolarHBondContact O-N 3.45Å; V120-L212 HydrophobicContact CB-CD1 4.19Å; V120-L212 HydrophobicContact CG1-CD1 4.33Å; V120-L212 HydrophobicContact CG2-CD1 4.08Å; V120-F215 HydrophobicContact CG1-CD1 3.63Å; V120-F215 HydrophobicContact CG1-CE1 3.42Å; V120-F215 VanDerWaalsContact CG1-CE1 3.42Å; V120-F215 HydrophobicContact CG1-CZ 4.36Å |
| 121 | S | 79 | Confident | 78.3 | Confident | 21 Ų | 21 | 80 Ų | 80 | 15% | 0.147 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.5 | -48.9 | 178.1 | 67.6 | 0 | 0 | 0 | 0 | 112.6 | Y117 C118 L124 L125 | Y117-S121 WeakPolarHBondContact O-CB 3.34Å; Y117-S121 PolarHBondContact O-N 3.16Å; Y117-S121 PolarHBondContact O-OG 3.25Å; C118-S121 WeakPolarHBondContact CA-OG 3.27Å; C118-S121 PolarHBondContact O-N 3.35Å; C118-S121 PolarHBondContact O-OG 3.07Å; C118-S121 VanDerWaalsContact O-OG 3.05Å; S121-L124 CarbonylContact O-C 3.51Å; S121-L124 PolarHBondContact O-N 2.91Å; S121-L125 WeakPolarHBondContact O-CB 3.29Å; S121-L125 WeakPolarHBondContact O-CD1 3.29Å; S121-L125 PolarHBondContact O-N 2.82Å |
| 122 | T | 76.5 | Confident | 77.7 | Confident | 60 Ų | 60 | 83.9 Ų | 83.9 | 37% | 0.368 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.8 | -46.7 | -174.1 | 59.7 | 0 | 0 | 0 | 0 | 113.9 | C118 L124 L125 R126 R127 | C118-T122 WeakPolarHBondContact O-CB 3.07Å; C118-T122 WeakPolarHBondContact O-CG2 3.46Å; C118-T122 PolarHBondContact O-N 3.43Å; C118-T122 PolarHBondContact O-OG1 2.9Å; T122-L124 PolarHBondContact O-N 2.77Å; T122-L125 CarbonylContact O-C 3.56Å; T122-L125 PolarHBondContact O-N 3.21Å; T122-L125 VanDerWaalsContact O-N 3.1Å; T122-R126 PolarHBondContact O-N 2.91Å; T122-R126 VanDerWaalsContact O-N 3.08Å; T122-R127 PolarHBondContact O-N 3.41Å |
| 123 | V | 69.6 | Low | 77.5 | Confident | 103 Ų | 103 | 86.9 Ų | 86.9 | 62% | 0.624 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -55.9 | -35.9 | 175.6 | 170 | 0 | 0 | 0 | 0 | 109.7 | T119 | T119-V123 HydrophobicContact CG2-CG2 4.27Å; T119-V123 WeakPolarHBondContact O-CB 3.16Å; T119-V123 WeakPolarHBondContact O-CG2 3.2Å; T119-V123 PolarHBondContact O-N 3.47Å |
| 124 | L | 59.6 | Low | 77.5 | Confident | 68 Ų | 68 | 86.9 Ų | 86.9 | 36% | 0.356 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -89.4 | -12.1 | -176.9 | -65.4 | 177.5 | 0 | 0 | 0 | 114.8 | V120 S121 T122 F215 R219 | V120-L124 HydrophobicContact CG1-CD1 3.69Å; V120-L124 WeakPolarHBondContact O-CB 3.36Å; V120-L124 WeakPolarHBondContact O-CD1 3.26Å; V120-L124 WeakPolarHBondContact O-CG 3.47Å; V120-L124 PolarHBondContact O-N 3.45Å; S121-L124 CarbonylContact O-C 3.51Å; S121-L124 PolarHBondContact O-N 2.91Å; T122-L124 PolarHBondContact O-N 2.77Å; L124-F215 HydrophobicContact CB-CZ 4.19Å; L124-F215 HydrophobicContact CD1-CE1 3.38Å; L124-F215 HydrophobicContact CD1-CZ 3.7Å; L124-R219 VanDerWaalsContact CB-NH1 3.35Å; L124-R219 PolarHBondContact O-NH2 3.47Å |
| 125 | L | 63.8 | Low | 77.6 | Confident | 98 Ų | 98 | 90.6 Ų | 90.6 | 51% | 0.513 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 7.5 | 169.4 | -86.1 | 91.3 | 0 | 0 | 0 | 112.5 | S121 T122 R127 | S121-L125 WeakPolarHBondContact O-CB 3.29Å; S121-L125 WeakPolarHBondContact O-CD1 3.29Å; S121-L125 PolarHBondContact O-N 2.82Å; T122-L125 CarbonylContact O-C 3.56Å; T122-L125 PolarHBondContact O-N 3.21Å; T122-L125 VanDerWaalsContact O-N 3.1Å; L125-R127 PolarHBondContact O-N 3.41Å; L125-R127 VanDerWaalsContact O-N 3.09Å |
| 126 | R | 69.5 | Low | 77.8 | Confident | 242 Ų | 242 | 91.8 Ų | 91.8 | 91% | 0.913 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 23.7 | -180 | -79.2 | -174.2 | 178.8 | 174 | -0.5 | 115.4 | T122 S128 | T122-R126 PolarHBondContact O-N 2.91Å; T122-R126 VanDerWaalsContact O-N 3.08Å; R126-S128 PolarHBondContact O-N 3.36Å |
| 127 | R | 62 | Low | 78.1 | Confident | 198 Ų | 198 | 91 Ų | 91 | 75% | 0.747 | 49% | 0.488 | S | S | * | . | trans | -88.9 | 106.4 | 175.6 | -70.6 | -173.5 | 179.9 | 177.1 | -0.5 | 110.4 | T122 L125 G129 | T122-R127 PolarHBondContact O-N 3.41Å; L125-R127 PolarHBondContact O-N 3.41Å; L125-R127 VanDerWaalsContact O-N 3.09Å; R127-G129 PolarHBondContact O-N 2.85Å | ||
| 128 | S | 58.4 | Low | 78.5 | Confident | 127 Ų | 127 | 88.5 Ų | 88.5 | 89% | 0.888 | 48% | 0.479 | S | S | * | . | trans | -93 | 83.8 | 174.1 | -175.9 | 0 | 0 | 0 | 0 | 110.4 | R126 | R126-S128 PolarHBondContact O-N 3.36Š| ||
| 129 | G | 59 | Low | 78.9 | Confident | 60 Ų | 60 | 90.5 Ų | 90.5 | 62% | 0.619 | 49% | 0.49 | S | S | * | . | trans | -85.3 | 145.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R127 G131 | R127-G129 PolarHBondContact O-N 2.85Å; G129-G131 VanDerWaalsContact C-N 3.34Å; G129-G131 PolarHBondContact O-N 3.47Å | ||
| 130 | K | 69.1 | Low | 79.5 | Confident | 222 Ų | 222 | 94.2 Ų | 94.2 | 97% | 0.965 | 51% | 0.508 | S | S | * | . | trans | -58.9 | 98.4 | 164.2 | -76.9 | -179.6 | 175.5 | 174.4 | 0 | 108 | ||||
| 131 | G | 74.2 | Confident | 80.3 | Confident | 48 Ų | 48 | 93.2 Ų | 93.2 | 50% | 0.495 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -76 | 133.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K42 G129 | K42-G131 PolarHBondContact NZ-O 3.12Å; G129-G131 VanDerWaalsContact C-N 3.34Å; G129-G131 PolarHBondContact O-N 3.47Å |
| 132 | V | 82.9 | Confident | 81.2 | Confident | 97 Ų | 97 | 94.2 Ų | 94.2 | 59% | 0.588 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -47.5 | 140.8 | 173.3 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | K42 V134 I136 | K42-V132 PolarHBondContact NZ-O 3Å; V132-V134 PolarHBondContact O-N 2.94Å; V132-I136 HydrophobicContact CG1-CB 4.35Å; V132-I136 HydrophobicContact CG1-CD1 4.05Å |
| 133 | P | 90.3 | Very high | 82.2 | Confident | 79 Ų | 79 | 94.9 Ų | 94.9 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 126.4 | 169.7 | -24.1 | 32.9 | 0 | 0 | 0 | 110.8 | K135 I136 P137 | P133-K135 PolarHBondContact O-N 3.11Å; P133-K135 VanDerWaalsContact O-N 3.14Å; P133-I136 HydrophobicContact CB-CD1 4.27Å; P133-I136 HydrophobicContact CB-CG1 4.39Å; P133-I136 HydrophobicContact CG-CD1 4.14Å; P133-I136 PolarHBondContact O-N 2.85Å; P133-I136 VanDerWaalsContact O-N 3.15Å; P133-P137 VanDerWaalsContact O-CD 3.22Å; P133-P137 WeakPolarHBondContact O-CD 3.19Å |
| 134 | V | 93.1 | Very high | 83.5 | Confident | 10 Ų | 10 | 92 Ų | 92 | 6% | 0.061 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19.2 | -175.8 | 70 | 0 | 0 | 0 | 0 | 113.2 | K42 Q45 I46 V132 I136 P137 I138 | K42-V134 HydrophobicContact CB-CB 4.04Å; K42-V134 HydrophobicContact CB-CG1 3.98Å; K42-V134 HydrophobicContact CB-CG2 4.29Å; K42-V134 HydrophobicContact CD-CB 4.32Å; K42-V134 HydrophobicContact CG-CB 4.15Å; K42-V134 HydrophobicContact CG-CG1 4.01Å; Q45-V134 HydrophobicContact CB-CG1 4.09Å; I46-V134 HydrophobicContact CD1-CG2 3.8Å; I46-V134 HydrophobicContact CG1-CG2 3.74Å; V132-V134 PolarHBondContact O-N 2.94Å; V134-I136 VanDerWaalsContact C-N 3.26Å; V134-I136 PolarHBondContact O-N 2.89Å; V134-P137 WeakPolarHBondContact O-CD 3.24Å; V134-P137 VanDerWaalsContact O-CG 3.26Å; V134-P137 WeakPolarHBondContact O-CG 3.15Å; V134-I138 HydrophobicContact CG1-CD1 4.46Å; V134-I138 HydrophobicContact CG2-CD1 4.12Å; V134-I138 HydrophobicContact CG2-CG1 4.48Å; V134-I138 WeakPolarHBondContact O-CD1 3.17Å; V134-I138 VanDerWaalsContact O-CG1 3.25Å; V134-I138 WeakPolarHBondContact O-CG1 3.49Å; V134-I138 PolarHBondContact O-N 3.03Å |
| 135 | K | 95 | Very high | 85.2 | Confident | 146 Ų | 146 | 88.8 Ų | 88.8 | 64% | 0.635 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.8 | -34.6 | 174.6 | -63.1 | -175.6 | 178.1 | -176.1 | 0 | 112.5 | P133 I138 V139 | P133-K135 PolarHBondContact O-N 3.11Å; P133-K135 VanDerWaalsContact O-N 3.14Å; K135-I138 PolarHBondContact O-N 3.44Å; K135-V139 VanDerWaalsContact O-CG2 3.32Å; K135-V139 WeakPolarHBondContact O-CG2 3.43Å; K135-V139 PolarHBondContact O-N 3.35Å |
| 136 | I | 95.9 | Very high | 86.7 | Confident | 99 Ų | 99 | 86.5 Ų | 86.5 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.8 | -56.8 | -179.1 | -61.4 | 172.5 | 0 | 0 | 0 | 111.5 | V132 P133 V134 I138 V139 L140 | V132-I136 HydrophobicContact CG1-CB 4.35Å; V132-I136 HydrophobicContact CG1-CD1 4.05Å; P133-I136 HydrophobicContact CB-CD1 4.27Å; P133-I136 HydrophobicContact CB-CG1 4.39Å; P133-I136 HydrophobicContact CG-CD1 4.14Å; P133-I136 PolarHBondContact O-N 2.85Å; P133-I136 VanDerWaalsContact O-N 3.15Å; V134-I136 VanDerWaalsContact C-N 3.26Å; V134-I136 PolarHBondContact O-N 2.89Å; I136-I138 VanDerWaalsContact C-N 3.27Å; I136-I138 PolarHBondContact O-N 3.32Å; I136-V139 PolarHBondContact O-N 3.01Å; I136-L140 WeakPolarHBondContact O-CB 3.43Å; I136-L140 PolarHBondContact O-N 3.34Å |
| 137 | P | 96.6 | Very high | 87.9 | Confident | 38 Ų | 38 | 79.7 Ų | 79.7 | 25% | 0.247 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -64 | -31.5 | 177.9 | 24.6 | -33.9 | 0 | 0 | 0 | 112.6 | L111 P133 V134 L140 T141 | L111-P137 HydrophobicContact CD1-CB 4.02Å; L111-P137 HydrophobicContact CD2-CB 4.09Å; P133-P137 VanDerWaalsContact O-CD 3.22Å; P133-P137 WeakPolarHBondContact O-CD 3.19Å; V134-P137 WeakPolarHBondContact O-CD 3.24Å; V134-P137 VanDerWaalsContact O-CG 3.26Å; V134-P137 WeakPolarHBondContact O-CG 3.15Å; P137-L140 PolarHBondContact O-N 3.5Å; P137-T141 VanDerWaalsContact O-CB 3.29Å; P137-T141 WeakPolarHBondContact O-CB 3.39Å; P137-T141 PolarHBondContact O-N 3.02Å; P137-T141 PolarHBondContact O-OG1 3.12Å |
| 138 | I | 97.9 | Very high | 89.4 | Confident | 13 Ų | 13 | 71.8 Ų | 71.8 | 7% | 0.067 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59.5 | -53.2 | 173.1 | -71.1 | 168.2 | 0 | 0 | 0 | 110.6 | Q45 I46 S49 L108 L111 V134 K135 I136 L140 T141 C142 | Q45-I138 HydrophobicContact CB-CD1 4.39Å; I46-I138 HydrophobicContact CG1-CD1 3.9Å; I46-I138 HydrophobicContact CG1-CG1 4.03Å; S49-I138 VanDerWaalsContact OG-CG2 3.28Å; S49-I138 WeakPolarHBondContact OG-CG2 3.37Å; L108-I138 HydrophobicContact CD2-CB 4.38Å; L108-I138 HydrophobicContact CD2-CG1 4.25Å; L108-I138 HydrophobicContact CD2-CG2 4.13Å; L111-I138 HydrophobicContact CD2-CG1 4.06Å; V134-I138 HydrophobicContact CG1-CD1 4.46Å; V134-I138 HydrophobicContact CG2-CD1 4.12Å; V134-I138 HydrophobicContact CG2-CG1 4.48Å; V134-I138 WeakPolarHBondContact O-CD1 3.17Å; V134-I138 VanDerWaalsContact O-CG1 3.25Å; V134-I138 WeakPolarHBondContact O-CG1 3.49Å; V134-I138 PolarHBondContact O-N 3.03Å; K135-I138 PolarHBondContact O-N 3.44Å; I136-I138 VanDerWaalsContact C-N 3.27Å; I136-I138 PolarHBondContact O-N 3.32Å; I138-L140 VanDerWaalsContact C-N 3.35Å; I138-L140 PolarHBondContact O-N 3.36Å; I138-T141 PolarHBondContact O-N 3.49Å; I138-C142 PolarHBondContact O-N 3.12Å; I138-C142 PolarHBondContact O-SG 3.33Å; I138-C142 VanDerWaalsContact O-SG 3.4Å |
| 139 | V | 97.9 | Very high | 91 | Very high | 89 Ų | 89 | 66 Ų | 66 | 54% | 0.539 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | -179.9 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | K135 I136 T141 C142 V143 | K135-V139 VanDerWaalsContact O-CG2 3.32Å; K135-V139 WeakPolarHBondContact O-CG2 3.43Å; K135-V139 PolarHBondContact O-N 3.35Å; I136-V139 PolarHBondContact O-N 3.01Å; V139-T141 VanDerWaalsContact C-N 3.31Å; V139-T141 PolarHBondContact O-N 3.14Å; V139-C142 PolarHBondContact O-N 3.24Å; V139-V143 HydrophobicContact CG1-CG2 4.24Å; V139-V143 WeakPolarHBondContact O-CB 3.3Å; V139-V143 VanDerWaalsContact O-CG2 3.31Å; V139-V143 WeakPolarHBondContact O-CG2 3.49Å; V139-V143 PolarHBondContact O-N 2.93Å |
| 140 | L | 97.7 | Very high | 92.5 | Very high | 114 Ų | 114 | 66.3 Ų | 66.3 | 60% | 0.597 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60 | -41.5 | 177.6 | -177.5 | 61.8 | 0 | 0 | 0 | 111.9 | I136 P137 I138 V143 A144 | I136-L140 WeakPolarHBondContact O-CB 3.43Å; I136-L140 PolarHBondContact O-N 3.34Å; P137-L140 PolarHBondContact O-N 3.5Å; I138-L140 VanDerWaalsContact C-N 3.35Å; I138-L140 PolarHBondContact O-N 3.36Å; L140-V143 PolarHBondContact O-N 2.9Å; L140-A144 VanDerWaalsContact O-CB 3.23Å; L140-A144 WeakPolarHBondContact O-CB 3.48Å; L140-A144 PolarHBondContact O-N 3.5Å |
| 141 | T | 97.7 | Very high | 93.5 | Very high | 25 Ų | 25 | 58.4 Ų | 58.4 | 15% | 0.153 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 175.7 | -67.8 | 0 | 0 | 0 | 0 | 111.9 | W107 L108 P137 I138 V139 A144 A145 | W107-T141 HydrophobicContact CB-CG2 3.47Å; W107-T141 VanDerWaalsContact CB-CG2 3.47Å; L108-T141 HydrophobicContact CD2-CG2 4.07Å; L108-T141 HydrophobicContact CG-CG2 4.08Å; P137-T141 VanDerWaalsContact O-CB 3.29Å; P137-T141 WeakPolarHBondContact O-CB 3.39Å; P137-T141 PolarHBondContact O-N 3.02Å; P137-T141 PolarHBondContact O-OG1 3.12Å; I138-T141 PolarHBondContact O-N 3.49Å; V139-T141 VanDerWaalsContact C-N 3.31Å; V139-T141 PolarHBondContact O-N 3.14Å; T141-A144 PolarHBondContact O-N 3.47Å; T141-A145 WeakPolarHBondContact O-CB 3.26Å; T141-A145 PolarHBondContact O-N 3.49Å |
| 142 | C | 97.7 | Very high | 94.1 | Very high | 42 Ų | 42 | 57.5 Ų | 57.5 | 28% | 0.284 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 177.6 | -66.7 | 0 | 0 | 0 | 0 | 112.1 | I138 V139 A145 A146 | I138-C142 PolarHBondContact O-N 3.12Å; I138-C142 PolarHBondContact O-SG 3.33Å; I138-C142 VanDerWaalsContact O-SG 3.4Å; V139-C142 PolarHBondContact O-N 3.24Å; C142-A145 PolarHBondContact O-N 3.22Å; C142-A146 PolarHBondContact O-N 2.91Å; C142-A146 VanDerWaalsContact O-N 3.08Å |
| 143 | V | 97.5 | Very high | 94.5 | Very high | 74 Ų | 74 | 54 Ų | 54 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.3 | -48.5 | 175.8 | 171.6 | 0 | 0 | 0 | 0 | 110 | V139 L140 A145 A146 L147 | V139-V143 HydrophobicContact CG1-CG2 4.24Å; V139-V143 WeakPolarHBondContact O-CB 3.3Å; V139-V143 VanDerWaalsContact O-CG2 3.31Å; V139-V143 WeakPolarHBondContact O-CG2 3.49Å; V139-V143 PolarHBondContact O-N 2.93Å; L140-V143 PolarHBondContact O-N 2.9Å; V143-A145 VanDerWaalsContact C-N 3.32Å; V143-A145 PolarHBondContact O-N 3.3Å; V143-A146 PolarHBondContact O-N 2.85Å; V143-A146 VanDerWaalsContact O-N 3.12Å; V143-L147 HydrophobicContact CG1-CD1 4.05Å; V143-L147 HydrophobicContact CG1-CG 4.21Å; V143-L147 VanDerWaalsContact O-CG 3.31Å; V143-L147 WeakPolarHBondContact O-CG 3.27Å; V143-L147 PolarHBondContact O-N 2.71Å |
| 144 | A | 96.9 | Very high | 94.5 | Very high | 43 Ų | 43 | 55.8 Ų | 55.8 | 36% | 0.355 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.5 | -44.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L140 T141 A146 L147 L148 | L140-A144 VanDerWaalsContact O-CB 3.23Å; L140-A144 WeakPolarHBondContact O-CB 3.48Å; L140-A144 PolarHBondContact O-N 3.5Å; T141-A144 PolarHBondContact O-N 3.47Å; A144-A146 VanDerWaalsContact C-N 3.33Å; A144-A146 PolarHBondContact O-N 2.92Å; A144-L147 WeakPolarHBondContact O-CB 3.27Å; A144-L147 PolarHBondContact O-N 3.37Å; A144-L147 VanDerWaalsContact O-N 3.11Å; A144-L148 WeakPolarHBondContact O-CG 3.49Å; A144-L148 PolarHBondContact O-N 3.47Å |
| 145 | A | 96.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.6 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T103 A104 T141 C142 V143 L148 | T103-A145 HydrophobicContact CG2-CB 3.98Å; A104-A145 HydrophobicContact CB-CB 3.72Å; T141-A145 WeakPolarHBondContact O-CB 3.26Å; T141-A145 PolarHBondContact O-N 3.49Å; C142-A145 PolarHBondContact O-N 3.22Å; V143-A145 VanDerWaalsContact C-N 3.32Å; V143-A145 PolarHBondContact O-N 3.3Å; A145-L148 PolarHBondContact O-N 3Å |
| 146 | A | 95 | Very high | 94.1 | Very high | 49 Ų | 49 | 50.5 Ų | 50.5 | 41% | 0.405 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.9 | -37.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C142 V143 A144 L148 E149 | C142-A146 PolarHBondContact O-N 2.91Å; C142-A146 VanDerWaalsContact O-N 3.08Å; V143-A146 PolarHBondContact O-N 2.85Å; V143-A146 VanDerWaalsContact O-N 3.12Å; A144-A146 VanDerWaalsContact C-N 3.33Å; A144-A146 PolarHBondContact O-N 2.92Å; A146-L148 VanDerWaalsContact C-N 3.33Å; A146-L148 PolarHBondContact O-N 3.07Å; A146-E149 PolarHBondContact O-N 2.66Å |
| 147 | L | 94.8 | Very high | 93.8 | Very high | 99 Ų | 99 | 51 Ų | 51 | 52% | 0.518 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.3 | -35.8 | 176.7 | -67 | 179 | 0 | 0 | 0 | 112.3 | V143 A144 E149 L150 | V143-L147 HydrophobicContact CG1-CD1 4.05Å; V143-L147 HydrophobicContact CG1-CG 4.21Å; V143-L147 VanDerWaalsContact O-CG 3.31Å; V143-L147 WeakPolarHBondContact O-CG 3.27Å; V143-L147 PolarHBondContact O-N 2.71Å; A144-L147 WeakPolarHBondContact O-CB 3.27Å; A144-L147 PolarHBondContact O-N 3.37Å; A144-L147 VanDerWaalsContact O-N 3.11Å; L147-E149 PolarHBondContact O-N 3.25Å; L147-L150 HydrophobicContact CD2-CD1 3.39Å; L147-L150 HydrophobicContact CD2-CG 4.34Å; L147-L150 WeakPolarHBondContact O-CB 3.09Å; L147-L150 PolarHBondContact O-N 3.47Å |
| 148 | L | 93.2 | Very high | 93.5 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 17% | 0.173 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.6 | -27.7 | 176.5 | -68.3 | 176.7 | 0 | 0 | 0 | 112.4 | T103 A144 A145 A146 F192 F196 V197 | T103-L148 HydrophobicContact CG2-CD1 4.02Å; A144-L148 WeakPolarHBondContact O-CG 3.49Å; A144-L148 PolarHBondContact O-N 3.47Å; A145-L148 PolarHBondContact O-N 3Å; A146-L148 VanDerWaalsContact C-N 3.33Å; A146-L148 PolarHBondContact O-N 3.07Å; L148-F192 HydrophobicContact CB-CE1 4.3Å; L148-F192 HydrophobicContact CD2-CE1 3.66Å; L148-F192 HydrophobicContact CD2-CZ 3.39Å; L148-F196 HydrophobicContact CD2-CB 4.24Å; L148-V197 HydrophobicContact CD1-CG2 4.33Å |
| 149 | E | 91.7 | Very high | 93.1 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 2% | 0.023 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -88.2 | -19 | -178.8 | -56.1 | -56.1 | 160.6 | 0 | 0 | 113.5 | R99 A100 T103 A146 L147 P151 M152 V153 | R99-E149 VanDerWaalsContact CD-CD 3.41Å; R99-E149 WeakPolarHBondContact CD-OE1 3.5Å; R99-E149 WeakPolarHBondContact CD-OE2 3.21Å; R99-E149 WeakPolarHBondContact CG-OE1 3.5Å; A100-E149 HydrophobicContact CB-CG 3.98Å; T103-E149 PolarHBondContact OG1-OE1 2.89Å; A146-E149 PolarHBondContact O-N 2.66Å; L147-E149 PolarHBondContact O-N 3.25Å; E149-P151 VanDerWaalsContact C-CD 3.42Å; E149-M152 WeakPolarHBondContact O-CB 3.4Å; E149-M152 PolarHBondContact O-N 2.88Å; E149-V153 WeakPolarHBondContact O-CG2 3.47Å; E149-V153 PolarHBondContact O-N 3.3Å |
| 150 | L | 90.7 | Very high | 92.8 | Very high | 67 Ų | 67 | 49.8 Ų | 49.8 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -53.3 | -42.6 | -174.5 | -70.7 | -178.7 | 0 | 0 | 0 | 115 | L147 M152 V153 F154 | L147-L150 HydrophobicContact CD2-CD1 3.39Å; L147-L150 HydrophobicContact CD2-CG 4.34Å; L147-L150 WeakPolarHBondContact O-CB 3.09Å; L147-L150 PolarHBondContact O-N 3.47Å; L150-M152 PolarHBondContact O-N 2.95Å; L150-V153 WeakPolarHBondContact O-CB 3.42Å; L150-V153 PolarHBondContact O-N 2.71Å; L150-F154 HydrophobicContact CB-CD2 4.49Å; L150-F154 HydrophobicContact CB-CE2 4.48Å; L150-F154 HydrophobicContact CD2-CE2 3.97Å; L150-F154 WeakPolarHBondContact O-CD2 3.27Å; L150-F154 PolarHBondContact O-N 3.33Å |
| 151 | P | 89.3 | Confident | 92.5 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.6 | -39.8 | 178.1 | -24.2 | 34.6 | 0 | 0 | 0 | 111.7 | E149 S155 | E149-P151 VanDerWaalsContact C-CD 3.42Å; P151-S155 WeakPolarHBondContact O-CB 3.19Å; P151-S155 PolarHBondContact O-N 3.46Å; P151-S155 VanDerWaalsContact O-N 3.13Å |
| 152 | M | 88.1 | Confident | 92.2 | Very high | 29 Ų | 29 | 53 Ų | 53 | 14% | 0.143 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.8 | -34.9 | 177.2 | -71 | -63.4 | -67.8 | 0 | 0 | 111.7 | R91 E149 L150 S155 | R91-M152 PolarHBondContact NH2-O 3.47Å; E149-M152 WeakPolarHBondContact O-CB 3.4Å; E149-M152 PolarHBondContact O-N 2.88Å; L150-M152 PolarHBondContact O-N 2.95Å; M152-S155 PolarHBondContact O-N 2.94Å; M152-S155 PolarHBondContact O-OG 3.38Å |
| 153 | V | 90.9 | Very high | 91.8 | Very high | 22 Ų | 22 | 52.9 Ų | 52.9 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 175.1 | -179 | 0 | 0 | 0 | 0 | 112.2 | R91 F92 I96 E149 L150 | R91-V153 PolarHBondContact NH1-O 3.07Å; R91-V153 VanDerWaalsContact NH2-C 3.26Å; R91-V153 PolarHBondContact NH2-O 2.87Å; F92-V153 HydrophobicContact CE1-CG1 4.08Å; I96-V153 HydrophobicContact CD1-CB 4.38Å; I96-V153 HydrophobicContact CD1-CG1 4.25Å; I96-V153 HydrophobicContact CD1-CG2 3.92Å; I96-V153 HydrophobicContact CG1-CG2 4.19Å; I96-V153 HydrophobicContact CG2-CG2 3.52Å; E149-V153 WeakPolarHBondContact O-CG2 3.47Å; E149-V153 PolarHBondContact O-N 3.3Å; L150-V153 WeakPolarHBondContact O-CB 3.42Å; L150-V153 PolarHBondContact O-N 2.71Å |
| 154 | F | 91.3 | Very high | 91.3 | Very high | 117 Ų | 117 | 56.2 Ų | 56.2 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -90.3 | -3.4 | -177.3 | -63.9 | -65.6 | 0 | 0 | 0 | 114.4 | L150 R156 A174 W176 | L150-F154 HydrophobicContact CB-CD2 4.49Å; L150-F154 HydrophobicContact CB-CE2 4.48Å; L150-F154 HydrophobicContact CD2-CE2 3.97Å; L150-F154 WeakPolarHBondContact O-CD2 3.27Å; L150-F154 PolarHBondContact O-N 3.33Å; F154-R156 VanDerWaalsContact C-N 3.32Å; F154-R156 PolarHBondContact O-N 3.5Å; F154-A174 WeakPolarHBondContact O-CB 3.35Å; F154-W176 HydrophobicContact CB-CZ2 4.3Å; F154-W176 PolarHBondContact O-NE1 2.96Å; F154-W176 VanDerWaalsContact O-NE1 3.13Å |
| 155 | S | 90.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -24 | -179 | 66.8 | 0 | 0 | 0 | 0 | 114.6 | P151 M152 A174 F185 | P151-S155 WeakPolarHBondContact O-CB 3.19Å; P151-S155 PolarHBondContact O-N 3.46Å; P151-S155 VanDerWaalsContact O-N 3.13Å; M152-S155 PolarHBondContact O-N 2.94Å; M152-S155 PolarHBondContact O-OG 3.38Å; S155-A174 PolarHBondContact O-N 3Å; S155-F185 VanDerWaalsContact CB-CE1 3.48Å |
| 156 | R | 89.4 | Confident | 90.5 | Very high | 45 Ų | 45 | 65 Ų | 65 | 17% | 0.17 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 148.6 | -175.6 | -57.6 | 177.9 | -140 | 160.1 | 9 | 110.1 | R91 F154 R172 | R91-R156 PolarHBondContact NH1-O 3.23Å; R91-R156 PolarHBondContact NH2-O 3.45Å; F154-R156 VanDerWaalsContact C-N 3.32Å; F154-R156 PolarHBondContact O-N 3.5Å; R156-R172 CarbonylContact C-O 3.52Å; R156-R172 VanDerWaalsContact CA-O 3.27Å; R156-R172 WeakPolarHBondContact CA-O 3.29Å |
| 157 | H | 89 | Confident | 90.4 | Very high | 109 Ų | 109 | 63.6 Ų | 63.6 | 51% | 0.505 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 136.6 | 170.3 | -67.5 | -79.2 | 0 | 0 | 0 | 109.2 | Q171 R172 | H157-Q171 WeakPolarHBondContact O-CA 3.45Å; H157-R172 PolarHBondContact N-O 2.85Å; H157-R172 PolarHBondContact O-N 2.82Å |
| 158 | T | 89.6 | Confident | 90.2 | Very high | 27 Ų | 27 | 63.3 Ų | 63.3 | 17% | 0.166 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 135.1 | 176.2 | 62.3 | 0 | 0 | 0 | 0 | 109.8 | C87 V170 Q171 | C87-T158 VanDerWaalsContact O-CB 3.32Å; C87-T158 WeakPolarHBondContact O-CB 3.42Å; C87-T158 PolarHBondContact O-OG1 2.92Å; T158-V170 WeakPolarHBondContact CA-O 3.07Å; T158-Q171 HydrophobicContact CG2-CG 3.9Å |
| 159 | S | 90 | Very high | 90.1 | Very high | 35 Ų | 35 | 63.6 Ų | 63.6 | 25% | 0.245 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 134.6 | 178.2 | 59.9 | 0 | 0 | 0 | 0 | 110.1 | V170 R172 | S159-V170 PolarHBondContact N-O 2.84Å; S159-V170 PolarHBondContact O-N 2.96Å; S159-R172 PolarHBondContact OG-NH1 3.17Å |
| 160 | S | 91.4 | Very high | 90 | Very high | 54 Ų | 54 | 65.8 Ų | 65.8 | 38% | 0.378 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 125.2 | 170.8 | 57.2 | 0 | 0 | 0 | 0 | 110.3 | Y168 | S160-Y168 CarbonylContact C-O 3.39Å; S160-Y168 WeakPolarHBondContact CA-O 3.3Å |
| 161 | V | 92.3 | Very high | 90 | Very high | 57 Ų | 57 | 66.6 Ų | 66.6 | 35% | 0.345 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 126.5 | 175.9 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | Y168 V170 | V161-Y168 PolarHBondContact N-O 2.92Å; V161-Y168 PolarHBondContact O-N 3.25Å; V161-V170 HydrophobicContact CB-CG2 4.37Å; V161-V170 HydrophobicContact CG2-CG2 4.1Å |
| 162 | R | 91.2 | Very high | 90 | Very high | 150 Ų | 150 | 70.9 Ų | 70.9 | 57% | 0.566 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 120.1 | 175.7 | -164.3 | 147.5 | 179.1 | 76.9 | 6.6 | 109.2 | N165 R166 T167 | R162-N165 PolarHBondContact NH1-O 2.79Å; R162-N165 PolarHBondContact NH2-O 3.22Å; R162-R166 WeakPolarHBondContact CA-O 3.31Å; R162-T167 PolarHBondContact NH1-OG1 3.47Å |
| 163 | A | 88.7 | Confident | 90.1 | Very high | 39 Ų | 39 | 73.3 Ų | 73.3 | 32% | 0.322 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 143.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | N165 R166 Y168 | A163-N165 VanDerWaalsContact C-N 3.32Å; A163-N165 PolarHBondContact O-N 3.33Å; A163-R166 PolarHBondContact N-O 3Å; A163-R166 CarbonylContact O-C 3.56Å; A163-R166 WeakPolarHBondContact O-CA 3.22Å; A163-R166 PolarHBondContact O-N 3.28Å; A163-Y168 HydrophobicContact CB-CD2 3.99Å; A163-Y168 HydrophobicContact CB-CE2 3.87Å; A163-Y168 WeakPolarHBondContact O-CE2 3.48Å |
| 164 | D | 86.3 | Confident | 90.2 | Very high | 144 Ų | 144 | 72.5 Ų | 72.5 | 77% | 0.77 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 46 | 177.2 | -53.2 | -31.2 | 0 | 0 | 0 | 114.3 | R166 | D164-R166 PolarHBondContact O-N 3.43Š|
| 165 | N | 87.3 | Confident | 90.2 | Very high | 138 Ų | 138 | 71.4 Ų | 71.4 | 74% | 0.738 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 11.1 | -174.6 | -81.5 | -15.1 | 0 | 0 | 0 | 116.1 | R162 A163 | R162-N165 PolarHBondContact NH1-O 2.79Å; R162-N165 PolarHBondContact NH2-O 3.22Å; A163-N165 VanDerWaalsContact C-N 3.32Å; A163-N165 PolarHBondContact O-N 3.33Å |
| 166 | R | 90.3 | Very high | 90.3 | Very high | 90 Ų | 90 | 75.9 Ų | 75.9 | 34% | 0.34 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 143.7 | 177.8 | -64.3 | -177.8 | 68.3 | 174 | 3 | 111.4 | M78 H80 R162 A163 D164 Y168 | M78-R166 PolarHBondContact O-NH2 2.95Å; H80-R166 WeakPolarHBondContact O-CA 3.27Å; R162-R166 WeakPolarHBondContact CA-O 3.31Å; A163-R166 PolarHBondContact N-O 3Å; A163-R166 CarbonylContact O-C 3.56Å; A163-R166 WeakPolarHBondContact O-CA 3.22Å; A163-R166 PolarHBondContact O-N 3.28Å; D164-R166 PolarHBondContact O-N 3.43Å; R166-Y168 HydrophobicContact CB-CE2 3.89Å |
| 167 | T | 92.4 | Very high | 90.4 | Very high | 19 Ų | 19 | 73.8 Ų | 73.8 | 12% | 0.117 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 110.4 | 174.4 | -52.2 | 0 | 0 | 0 | 0 | 109.8 | H80 G81 M82 R162 | H80-T167 PolarHBondContact O-N 3.38Å; G81-T167 CarbonylContact C-O 3.45Å; G81-T167 WeakPolarHBondContact CA-O 3.44Å; M82-T167 PolarHBondContact N-O 3.44Å; M82-T167 WeakPolarHBondContact O-CG2 3.32Å; R162-T167 PolarHBondContact NH1-OG1 3.47Å |
| 168 | Y | 90.5 | Very high | 90.4 | Very high | 94 Ų | 94 | 72.2 Ų | 72.2 | 37% | 0.369 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 132.4 | 176.2 | -62.2 | -82.3 | 0 | 0 | 0 | 110.4 | S160 V161 A163 R166 | S160-Y168 CarbonylContact C-O 3.39Å; S160-Y168 WeakPolarHBondContact CA-O 3.3Å; V161-Y168 PolarHBondContact N-O 2.92Å; V161-Y168 PolarHBondContact O-N 3.25Å; A163-Y168 HydrophobicContact CB-CD2 3.99Å; A163-Y168 HydrophobicContact CB-CE2 3.87Å; A163-Y168 WeakPolarHBondContact O-CE2 3.48Å; R166-Y168 HydrophobicContact CB-CE2 3.89Å |
| 169 | C | 90.9 | Very high | 90.5 | Very high | 39 Ų | 39 | 77 Ų | 77 | 26% | 0.264 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 108.1 | 168 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | M82 C87 | M82-C169 HydrophobicContact CB-CB 4.21Å; M82-C169 HydrophobicContact SD-CB 3.97Å; C87-C169 WeakPolarHBondContact CA-SG 3.38Å; C87-C169 HydrophobicContact CB-CB 3.71Å; C87-C169 WeakPolarHBondContact CB-SG 3.45Å; C87-C169 WeakPolarHBondContact SG-CA 3.41Å; C87-C169 WeakPolarHBondContact SG-CB 3.27Å; C87-C169 CovalentContact SG-SG 2.04Å; C87-C169 PolarHBondContact SG-SG 3.44Å |
| 170 | V | 91 | Very high | 90.5 | Very high | 51 Ų | 51 | 79.5 Ų | 79.5 | 31% | 0.309 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 129 | -177.4 | -175 | 0 | 0 | 0 | 0 | 109.6 | T158 S159 V161 R172 | T158-V170 WeakPolarHBondContact CA-O 3.07Å; S159-V170 PolarHBondContact N-O 2.84Å; S159-V170 PolarHBondContact O-N 2.96Å; V161-V170 HydrophobicContact CB-CG2 4.37Å; V161-V170 HydrophobicContact CG2-CG2 4.1Å; V170-R172 HydrophobicContact CG1-CG 4.17Å |
| 171 | Q | 88.9 | Confident | 90.4 | Very high | 84 Ų | 84 | 78 Ų | 78 | 39% | 0.393 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 117.5 | 172.1 | -52.4 | -161.8 | -45.5 | 0 | 0 | 109.6 | H90 H157 T158 | H90-Q171 PolarHBondContact CE1-NE2 3.06Å; H90-Q171 VanDerWaalsContact CE1-NE2 3.31Å; H157-Q171 WeakPolarHBondContact O-CA 3.45Å; T158-Q171 HydrophobicContact CG2-CG 3.9Å |
| 172 | R | 90.3 | Very high | 90.1 | Very high | 145 Ų | 145 | 77.8 Ų | 77.8 | 55% | 0.547 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 141.2 | 176 | -63.6 | -175.5 | 178.6 | 128 | -3.7 | 110 | R156 H157 S159 V170 | R156-R172 CarbonylContact C-O 3.52Å; R156-R172 VanDerWaalsContact CA-O 3.27Å; R156-R172 WeakPolarHBondContact CA-O 3.29Å; H157-R172 PolarHBondContact N-O 2.85Å; H157-R172 PolarHBondContact O-N 2.82Å; S159-R172 PolarHBondContact OG-NH1 3.17Å; V170-R172 HydrophobicContact CG1-CG 4.17Å |
| 173 | L | 91.1 | Very high | 89.9 | Confident | 80 Ų | 80 | 74.1 Ų | 74.1 | 42% | 0.419 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 144.1 | 170.2 | -81.4 | 69.4 | 0 | 0 | 0 | 109.1 | V177 P182 F186 | L173-V177 HydrophobicContact CD2-CG1 3.93Å; L173-P182 HydrophobicContact CD2-CB 3.72Å; L173-P182 HydrophobicContact CD2-CG 3.81Å; L173-F186 HydrophobicContact CD2-CE2 4.07Å; L173-F186 HydrophobicContact CD2-CZ 4.49Å |
| 174 | A | 91.8 | Very high | 89.9 | Confident | 5 Ų | 5 | 77.4 Ų | 77.4 | 4% | 0.041 | 41% | 0.413 | C | S | . | . | trans | -68.3 | 150 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F154 S155 W176 V177 S178 | F154-A174 WeakPolarHBondContact O-CB 3.35Å; S155-A174 PolarHBondContact O-N 3Å; A174-W176 VanDerWaalsContact C-N 3.27Å; A174-W176 VanDerWaalsContact CB-CD1 3.47Å; A174-W176 HydrophobicContact CB-CG 4.33Å; A174-W176 PolarHBondContact O-N 3.39Å; A174-V177 HydrophobicContact CB-CG2 4.27Å; A174-V177 WeakPolarHBondContact O-CB 3.37Å; A174-V177 PolarHBondContact O-N 3.19Å; A174-S178 PolarHBondContact O-N 3.23Å | ||
| 175 | S | 91.9 | Very high | 90.1 | Very high | 95 Ų | 95 | 71.4 Ų | 71.4 | 66% | 0.664 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -58 | -37.7 | -176.5 | 52.8 | 0 | 0 | 0 | 0 | 113 | V177 S178 V179 | S175-V177 PolarHBondContact O-N 3.27Å; S175-S178 PolarHBondContact O-N 2.93Å; S175-S178 VanDerWaalsContact O-N 3.14Å; S175-S178 PolarHBondContact O-OG 3.14Å; S175-V179 PolarHBondContact O-N 3.29Å |
| 176 | W | 92.1 | Very high | 90.1 | Very high | 94 Ų | 94 | 67.1 Ų | 67.1 | 36% | 0.356 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.4 | -29.1 | 176.9 | 66 | -96.5 | 0 | 0 | 0 | 112.8 | F154 A174 V179 I180 F185 | F154-W176 HydrophobicContact CB-CZ2 4.3Å; F154-W176 PolarHBondContact O-NE1 2.96Å; F154-W176 VanDerWaalsContact O-NE1 3.13Å; A174-W176 VanDerWaalsContact C-N 3.27Å; A174-W176 VanDerWaalsContact CB-CD1 3.47Å; A174-W176 HydrophobicContact CB-CG 4.33Å; A174-W176 PolarHBondContact O-N 3.39Å; W176-V179 PolarHBondContact O-N 3.14Å; W176-I180 HydrophobicContact CE3-CD1 3.92Å; W176-I180 HydrophobicContact CZ3-CD1 4.07Å; W176-I180 PolarHBondContact O-N 3.27Å; W176-F185 HydrophobicContact CH2-CD2 4.11Å; W176-F185 HydrophobicContact CH2-CE1 4.46Å; W176-F185 AromaticContact CH2-CE2 3.32Å; W176-F185 HydrophobicContact CH2-CE2 3.32Å; W176-F185 AromaticContact CH2-CZ 3.54Å; W176-F185 HydrophobicContact CH2-CZ 3.54Å; W176-F185 AromaticContact CZ3-CD2 3.71Å; W176-F185 HydrophobicContact CZ3-CD2 3.71Å; W176-F185 AromaticContact CZ3-CE2 3.37Å; W176-F185 HydrophobicContact CZ3-CE2 3.37Å; W176-F185 HydrophobicContact CZ3-CZ 4.02Å |
| 177 | V | 91.8 | Very high | 90 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.8 | -36.1 | 175.1 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | L173 A174 S175 V179 I180 G181 F185 | L173-V177 HydrophobicContact CD2-CG1 3.93Å; A174-V177 HydrophobicContact CB-CG2 4.27Å; A174-V177 WeakPolarHBondContact O-CB 3.37Å; A174-V177 PolarHBondContact O-N 3.19Å; S175-V177 PolarHBondContact O-N 3.27Å; V177-V179 VanDerWaalsContact C-N 3.27Å; V177-V179 PolarHBondContact O-N 2.92Å; V177-I180 PolarHBondContact O-N 2.84Å; V177-G181 CarbonylContact O-C 3.6Å; V177-G181 PolarHBondContact O-N 3.41Å; V177-G181 VanDerWaalsContact O-N 3.16Å; V177-F185 HydrophobicContact CG1-CB 3.97Å; V177-F185 HydrophobicContact CG1-CD1 3.64Å; V177-F185 HydrophobicContact CG1-CE1 4.38Å; V177-F185 HydrophobicContact CG1-CG 3.83Å; V177-F185 HydrophobicContact CG2-CD1 4.29Å; V177-F185 HydrophobicContact CG2-CE1 4.31Å |
| 178 | S | 88.7 | Confident | 89.9 | Confident | 77 Ų | 77 | 65.3 Ų | 65.3 | 54% | 0.538 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66 | -29.4 | 175.1 | 48.1 | 0 | 0 | 0 | 0 | 113.1 | A174 S175 G181 | A174-S178 PolarHBondContact O-N 3.23Å; S175-S178 PolarHBondContact O-N 2.93Å; S175-S178 VanDerWaalsContact O-N 3.14Å; S175-S178 PolarHBondContact O-OG 3.14Å; S178-G181 PolarHBondContact O-N 2.91Å |
| 179 | V | 91.6 | Very high | 89.9 | Confident | 126 Ų | 126 | 61.5 Ų | 61.5 | 76% | 0.764 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -68.6 | -42.5 | 176.4 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | S175 W176 V177 G181 | S175-V179 PolarHBondContact O-N 3.29Å; W176-V179 PolarHBondContact O-N 3.14Å; V177-V179 VanDerWaalsContact C-N 3.27Å; V177-V179 PolarHBondContact O-N 2.92Å; V179-G181 VanDerWaalsContact C-N 3.25Å; V179-G181 PolarHBondContact O-N 2.94Å |
| 180 | I | 89.6 | Confident | 89.7 | Confident | 89 Ų | 89 | 60.4 Ų | 60.4 | 46% | 0.456 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -72.2 | -23.8 | 179 | -62.3 | 169.8 | 0 | 0 | 0 | 111.7 | W176 V177 F185 | W176-I180 HydrophobicContact CE3-CD1 3.92Å; W176-I180 HydrophobicContact CZ3-CD1 4.07Å; W176-I180 PolarHBondContact O-N 3.27Å; V177-I180 PolarHBondContact O-N 2.84Å; I180-F185 HydrophobicContact CG2-CB 4.21Å |
| 181 | G | 89.4 | Confident | 89.6 | Confident | 21 Ų | 21 | 63.9 Ų | 63.9 | 22% | 0.216 | 35% | 0.347 | C | S | . | . | trans | 91.7 | 118.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V177 S178 V179 T183 N184 F185 | V177-G181 CarbonylContact O-C 3.6Å; V177-G181 PolarHBondContact O-N 3.41Å; V177-G181 VanDerWaalsContact O-N 3.16Å; S178-G181 PolarHBondContact O-N 2.91Å; V179-G181 VanDerWaalsContact C-N 3.25Å; V179-G181 PolarHBondContact O-N 2.94Å; G181-T183 VanDerWaalsContact C-N 3.3Å; G181-T183 PolarHBondContact O-N 2.96Å; G181-N184 PolarHBondContact O-N 3.28Å; G181-N184 VanDerWaalsContact O-N 3.11Å; G181-F185 PolarHBondContact O-N 3.5Å | ||
| 182 | P | 86.6 | Confident | 89.8 | Confident | 54 Ų | 54 | 63.4 Ų | 63.4 | 35% | 0.351 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -53.4 | -43.1 | -175.4 | -30.3 | 36.2 | 0 | 0 | 0 | 114.1 | L173 F185 F186 | L173-P182 HydrophobicContact CD2-CB 3.72Å; L173-P182 HydrophobicContact CD2-CG 3.81Å; P182-F185 PolarHBondContact O-N 3.07Å; P182-F186 HydrophobicContact CB-CE2 4.48Å; P182-F186 WeakPolarHBondContact O-CD2 3.44Å; P182-F186 PolarHBondContact O-N 3.25Å |
| 183 | T | 86.4 | Confident | 89.8 | Confident | 72 Ų | 72 | 56.8 Ų | 56.8 | 44% | 0.442 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61 | -48.2 | 179.3 | -52.2 | 0 | 0 | 0 | 0 | 111.6 | G181 F186 I187 | G181-T183 VanDerWaalsContact C-N 3.3Å; G181-T183 PolarHBondContact O-N 2.96Å; T183-F186 PolarHBondContact O-N 3.05Å; T183-I187 HydrophobicContact CG2-CD1 3.75Å; T183-I187 HydrophobicContact CG2-CG1 4.47Å; T183-I187 WeakPolarHBondContact O-CB 3.32Å; T183-I187 VanDerWaalsContact O-CG1 3.24Å; T183-I187 WeakPolarHBondContact O-CG1 3.41Å; T183-I187 PolarHBondContact O-N 3.22Å |
| 184 | N | 88.9 | Confident | 89.8 | Confident | 108 Ų | 108 | 53.2 Ų | 53.2 | 58% | 0.578 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65 | -43.2 | -179.2 | -66.7 | -12.7 | 0 | 0 | 0 | 111.1 | G181 I187 G188 | G181-N184 PolarHBondContact O-N 3.28Å; G181-N184 VanDerWaalsContact O-N 3.11Å; N184-I187 PolarHBondContact O-N 3.34Å; N184-G188 PolarHBondContact O-N 3.36Å |
| 185 | F | 90.4 | Very high | 89.8 | Confident | 19 Ų | 19 | 56.1 Ų | 56.1 | 8% | 0.083 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 175.9 | 174.1 | -100.1 | 0 | 0 | 0 | 112.1 | S155 W176 V177 I180 G181 P182 G188 S189 | S155-F185 VanDerWaalsContact CB-CE1 3.48Å; W176-F185 HydrophobicContact CH2-CD2 4.11Å; W176-F185 HydrophobicContact CH2-CE1 4.46Å; W176-F185 AromaticContact CH2-CE2 3.32Å; W176-F185 HydrophobicContact CH2-CE2 3.32Å; W176-F185 AromaticContact CH2-CZ 3.54Å; W176-F185 HydrophobicContact CH2-CZ 3.54Å; W176-F185 AromaticContact CZ3-CD2 3.71Å; W176-F185 HydrophobicContact CZ3-CD2 3.71Å; W176-F185 AromaticContact CZ3-CE2 3.37Å; W176-F185 HydrophobicContact CZ3-CE2 3.37Å; W176-F185 HydrophobicContact CZ3-CZ 4.02Å; V177-F185 HydrophobicContact CG1-CB 3.97Å; V177-F185 HydrophobicContact CG1-CD1 3.64Å; V177-F185 HydrophobicContact CG1-CE1 4.38Å; V177-F185 HydrophobicContact CG1-CG 3.83Å; V177-F185 HydrophobicContact CG2-CD1 4.29Å; V177-F185 HydrophobicContact CG2-CE1 4.31Å; I180-F185 HydrophobicContact CG2-CB 4.21Å; G181-F185 PolarHBondContact O-N 3.5Å; P182-F185 PolarHBondContact O-N 3.07Å; F185-G188 PolarHBondContact O-N 3Å; F185-S189 WeakPolarHBondContact CE2-OG 3.49Å; F185-S189 VanDerWaalsContact CZ-OG 3.29Å; F185-S189 WeakPolarHBondContact CZ-OG 3.42Å; F185-S189 VanDerWaalsContact O-CB 3.26Å; F185-S189 WeakPolarHBondContact O-CB 3.3Å; F185-S189 PolarHBondContact O-N 3.34Å; F185-S189 PolarHBondContact O-OG 3.2Å |
| 186 | F | 87.4 | Confident | 89.9 | Confident | 47 Ų | 47 | 56.3 Ų | 56.3 | 21% | 0.206 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.2 | -38.7 | -180 | -74.1 | -58.7 | 0 | 0 | 0 | 112.7 | L173 P182 T183 S189 V190 L267 | L173-F186 HydrophobicContact CD2-CE2 4.07Å; L173-F186 HydrophobicContact CD2-CZ 4.49Å; P182-F186 HydrophobicContact CB-CE2 4.48Å; P182-F186 WeakPolarHBondContact O-CD2 3.44Å; P182-F186 PolarHBondContact O-N 3.25Å; T183-F186 PolarHBondContact O-N 3.05Å; F186-S189 PolarHBondContact O-N 3.35Å; F186-V190 WeakPolarHBondContact O-CB 3.46Å; F186-V190 WeakPolarHBondContact O-CG2 3.41Å; F186-V190 PolarHBondContact O-N 3.33Å; F186-L267 HydrophobicContact CB-CD1 4.22Å |
| 187 | I | 88.5 | Confident | 89.9 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 16% | 0.164 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.8 | -49.8 | 173.5 | -71.3 | 169 | 0 | 0 | 0 | 110 | T183 N184 V190 W191 L267 | T183-I187 HydrophobicContact CG2-CD1 3.75Å; T183-I187 HydrophobicContact CG2-CG1 4.47Å; T183-I187 WeakPolarHBondContact O-CB 3.32Å; T183-I187 VanDerWaalsContact O-CG1 3.24Å; T183-I187 WeakPolarHBondContact O-CG1 3.41Å; T183-I187 PolarHBondContact O-N 3.22Å; N184-I187 PolarHBondContact O-N 3.34Å; I187-V190 PolarHBondContact O-N 2.82Å; I187-W191 PolarHBondContact O-N 3.23Å; I187-L267 HydrophobicContact CG1-CB 3.85Å; I187-L267 HydrophobicContact CG1-CD1 4.43Å |
| 188 | G | 90.3 | Very high | 89.9 | Confident | 40 Ų | 40 | 52.1 Ų | 52.1 | 41% | 0.412 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N184 F185 V190 W191 F192 | N184-G188 PolarHBondContact O-N 3.36Å; F185-G188 PolarHBondContact O-N 3Å; G188-V190 PolarHBondContact O-N 3.06Å; G188-W191 PolarHBondContact O-N 2.96Å; G188-F192 WeakPolarHBondContact O-CB 3.3Å; G188-F192 PolarHBondContact O-N 3.46Å |
| 189 | S | 89.4 | Confident | 90 | Very high | 14 Ų | 14 | 49.6 Ų | 49.6 | 10% | 0.098 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 180 | -61.7 | 0 | 0 | 0 | 0 | 112.5 | F185 F186 F192 N193 | F185-S189 WeakPolarHBondContact CE2-OG 3.49Å; F185-S189 VanDerWaalsContact CZ-OG 3.29Å; F185-S189 WeakPolarHBondContact CZ-OG 3.42Å; F185-S189 VanDerWaalsContact O-CB 3.26Å; F185-S189 WeakPolarHBondContact O-CB 3.3Å; F185-S189 PolarHBondContact O-N 3.34Å; F185-S189 PolarHBondContact O-OG 3.2Å; F186-S189 PolarHBondContact O-N 3.35Å; S189-F192 WeakPolarHBondContact O-CB 3.42Å; S189-F192 PolarHBondContact O-N 2.87Å; S189-N193 PolarHBondContact O-N 3.21Å; S189-N193 PolarHBondContact O-ND2 3.45Å |
| 190 | V | 87 | Confident | 90.1 | Very high | 16 Ų | 16 | 44.6 Ų | 44.6 | 10% | 0.097 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.5 | -40.7 | 178.1 | -175.7 | 0 | 0 | 0 | 0 | 110.4 | F186 I187 G188 F192 N193 V194 Y260 V264 L267 | F186-V190 WeakPolarHBondContact O-CB 3.46Å; F186-V190 WeakPolarHBondContact O-CG2 3.41Å; F186-V190 PolarHBondContact O-N 3.33Å; I187-V190 PolarHBondContact O-N 2.82Å; G188-V190 PolarHBondContact O-N 3.06Å; V190-F192 VanDerWaalsContact C-N 3.3Å; V190-F192 PolarHBondContact O-N 3.42Å; V190-N193 PolarHBondContact O-N 2.85Å; V190-V194 WeakPolarHBondContact O-CG2 3.37Å; V190-V194 PolarHBondContact O-N 3.34Å; V190-Y260 HydrophobicContact CG1-CD1 3.91Å; V190-V264 HydrophobicContact CB-CG2 3.62Å; V190-V264 HydrophobicContact CG1-CG2 3.2Å; V190-L267 HydrophobicContact CG2-CD1 4.4Å |
| 191 | W | 90.5 | Very high | 90.3 | Very high | 124 Ų | 124 | 40.3 Ų | 40.3 | 47% | 0.47 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.4 | -43.5 | 170.8 | -91.8 | 120.7 | 0 | 0 | 0 | 112.4 | I187 G188 N193 V194 V195 V264 | I187-W191 PolarHBondContact O-N 3.23Å; G188-W191 PolarHBondContact O-N 2.96Å; W191-N193 VanDerWaalsContact C-N 3.33Å; W191-N193 PolarHBondContact O-N 2.83Å; W191-V194 HydrophobicContact CE3-CB 4.43Å; W191-V194 HydrophobicContact CE3-CG1 4.42Å; W191-V194 HydrophobicContact CZ3-CG1 4.41Å; W191-V194 WeakPolarHBondContact O-CB 3.33Å; W191-V194 PolarHBondContact O-N 2.83Å; W191-V195 WeakPolarHBondContact O-CG2 3.46Å; W191-V195 PolarHBondContact O-N 3.14Å; W191-V264 HydrophobicContact CD2-CG1 4.16Å; W191-V264 HydrophobicContact CG-CG1 4.24Å; W191-V264 HydrophobicContact CZ2-CG1 3.99Å |
| 192 | F | 92.6 | Very high | 90.4 | Very high | 73 Ų | 73 | 39.9 Ų | 39.9 | 32% | 0.32 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.8 | -45.1 | 176.2 | -179.6 | -93.7 | 0 | 0 | 0 | 111.8 | L148 G188 S189 V190 V195 F196 | L148-F192 HydrophobicContact CB-CE1 4.3Å; L148-F192 HydrophobicContact CD2-CE1 3.66Å; L148-F192 HydrophobicContact CD2-CZ 3.39Å; G188-F192 WeakPolarHBondContact O-CB 3.3Å; G188-F192 PolarHBondContact O-N 3.46Å; S189-F192 WeakPolarHBondContact O-CB 3.42Å; S189-F192 PolarHBondContact O-N 2.87Å; V190-F192 VanDerWaalsContact C-N 3.3Å; V190-F192 PolarHBondContact O-N 3.42Å; F192-V195 PolarHBondContact O-N 3.38Å; F192-F196 AromaticContact CD2-CD2 3.43Å; F192-F196 HydrophobicContact CD2-CD2 3.43Å; F192-F196 VanDerWaalsContact CD2-CD2 3.43Å; F192-F196 AromaticContact CD2-CE2 3.74Å; F192-F196 HydrophobicContact CD2-CE2 3.74Å; F192-F196 AromaticContact CE2-CD2 3.42Å; F192-F196 HydrophobicContact CE2-CD2 3.42Å; F192-F196 VanDerWaalsContact CE2-CD2 3.42Å; F192-F196 AromaticContact CE2-CE2 3.73Å; F192-F196 HydrophobicContact CE2-CE2 3.73Å; F192-F196 HydrophobicContact CE2-CG 4.21Å; F192-F196 HydrophobicContact CG-CD2 4.05Å; F192-F196 HydrophobicContact CZ-CD2 4.04Å; F192-F196 HydrophobicContact CZ-CG 4.44Å; F192-F196 PolarHBondContact O-N 2.94Å |
| 193 | N | 90 | Very high | 90.8 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.032 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.3 | -44.4 | 174.6 | -80.7 | -74.7 | 0 | 0 | 0 | 112.3 | S189 V190 W191 V195 V197 H198 | S189-N193 PolarHBondContact O-N 3.21Å; S189-N193 PolarHBondContact O-ND2 3.45Å; V190-N193 PolarHBondContact O-N 2.85Å; W191-N193 VanDerWaalsContact C-N 3.33Å; W191-N193 PolarHBondContact O-N 2.83Å; N193-V195 VanDerWaalsContact C-N 3.26Å; N193-V195 PolarHBondContact O-N 3.41Å; N193-V197 WeakPolarHBondContact O-CA 3.26Å; N193-V197 VanDerWaalsContact O-CB 3.27Å; N193-V197 WeakPolarHBondContact O-CB 3.27Å; N193-V197 PolarHBondContact O-N 2.78Å; N193-V197 WeakPolarHBondContact OD1-CG2 3.31Å; N193-H198 PolarHBondContact O-N 3.2Å |
| 194 | V | 90.6 | Very high | 91.2 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -55.5 | -45.7 | 176.1 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | V190 W191 A199 I261 | V190-V194 WeakPolarHBondContact O-CG2 3.37Å; V190-V194 PolarHBondContact O-N 3.34Å; W191-V194 HydrophobicContact CE3-CB 4.43Å; W191-V194 HydrophobicContact CE3-CG1 4.42Å; W191-V194 HydrophobicContact CZ3-CG1 4.41Å; W191-V194 WeakPolarHBondContact O-CB 3.33Å; W191-V194 PolarHBondContact O-N 2.83Å; V194-A199 WeakPolarHBondContact O-CB 3.45Å; V194-A199 PolarHBondContact O-N 3.09Å; V194-I261 HydrophobicContact CG1-CD1 4.5Å; V194-I261 HydrophobicContact CG1-CG1 4.03Å; V194-I261 HydrophobicContact CG2-CG1 4.4Å |
| 195 | V | 92.8 | Very high | 91.4 | Very high | 66 Ų | 66 | 36.3 Ų | 36.3 | 40% | 0.4 | 20% | 0.195 | S | C | . | . | I | π-helix | trans | -75.6 | -53.7 | -176.5 | 175.9 | 0 | 0 | 0 | 0 | 112.2 | W191 F192 N193 G200 | W191-V195 WeakPolarHBondContact O-CG2 3.46Å; W191-V195 PolarHBondContact O-N 3.14Å; F192-V195 PolarHBondContact O-N 3.38Å; N193-V195 VanDerWaalsContact C-N 3.26Å; N193-V195 PolarHBondContact O-N 3.41Å; V195-G200 WeakPolarHBondContact O-CA 3.42Å; V195-G200 PolarHBondContact O-N 3.31Å |
| 196 | F | 94.1 | Very high | 91.5 | Very high | 99 Ų | 99 | 38.7 Ų | 38.7 | 43% | 0.434 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -95.1 | -22 | -167.7 | -67.6 | -75.2 | 0 | 0 | 0 | 114.7 | W107 L148 F192 | W107-F196 VanDerWaalsContact CZ2-O 3.28Å; W107-F196 WeakPolarHBondContact CZ2-O 3.48Å; W107-F196 PolarHBondContact NE1-O 3.44Å; L148-F196 HydrophobicContact CD2-CB 4.24Å; F192-F196 AromaticContact CD2-CD2 3.43Å; F192-F196 HydrophobicContact CD2-CD2 3.43Å; F192-F196 VanDerWaalsContact CD2-CD2 3.43Å; F192-F196 AromaticContact CD2-CE2 3.74Å; F192-F196 HydrophobicContact CD2-CE2 3.74Å; F192-F196 AromaticContact CE2-CD2 3.42Å; F192-F196 HydrophobicContact CE2-CD2 3.42Å; F192-F196 VanDerWaalsContact CE2-CD2 3.42Å; F192-F196 AromaticContact CE2-CE2 3.73Å; F192-F196 HydrophobicContact CE2-CE2 3.73Å; F192-F196 HydrophobicContact CE2-CG 4.21Å; F192-F196 HydrophobicContact CG-CD2 4.05Å; F192-F196 HydrophobicContact CZ-CD2 4.04Å; F192-F196 HydrophobicContact CZ-CG 4.44Å; F192-F196 PolarHBondContact O-N 2.94Å |
| 197 | V | 92.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -97.8 | -33.6 | -179.2 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | T103 L148 N193 P201 | T103-V197 HydrophobicContact CG2-CG1 4.06Å; T103-V197 HydrophobicContact CG2-CG2 4.18Å; T103-V197 VanDerWaalsContact OG1-CG1 3.31Å; T103-V197 WeakPolarHBondContact OG1-CG1 3.46Å; L148-V197 HydrophobicContact CD1-CG2 4.33Å; N193-V197 WeakPolarHBondContact O-CA 3.26Å; N193-V197 VanDerWaalsContact O-CB 3.27Å; N193-V197 WeakPolarHBondContact O-CB 3.27Å; N193-V197 PolarHBondContact O-N 2.78Å; N193-V197 WeakPolarHBondContact OD1-CG2 3.31Å; V197-P201 VanDerWaalsContact O-CG 3.23Å; V197-P201 WeakPolarHBondContact O-CG 3.38Å |
| 198 | H | 90.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.019 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -117.1 | -69.7 | -174.5 | -57.4 | -67.5 | 0 | 0 | 0 | 114.5 | N193 P201 C202 E253 V257 Y260 | N193-H198 PolarHBondContact O-N 3.2Å; H198-P201 WeakPolarHBondContact O-CD 3.35Å; H198-P201 WeakPolarHBondContact O-CG 3.34Å; H198-C202 WeakPolarHBondContact O-CB 3.48Å; H198-C202 PolarHBondContact O-N 2.95Å; H198-C202 PolarHBondContact O-SG 3.41Å; H198-E253 IonicContact ND1-OE2 2.71Å; H198-V257 HydrophobicContact CB-CG2 3.58Å; H198-Y260 AromaticContact CD2-CD2 3.59Å; H198-Y260 AromaticContact CD2-CE2 3.74Å; H198-Y260 AromaticContact CE1-CE2 3.85Å; H198-Y260 AromaticContact NE2-CD2 3.46Å; H198-Y260 WeakPolarHBondContact NE2-CD2 3.43Å; H198-Y260 AromaticContact NE2-CE2 3.07Å; H198-Y260 WeakPolarHBondContact NE2-CE2 3.37Å; H198-Y260 AromaticContact NE2-CZ 3.88Å |
| 199 | A | 91.2 | Very high | 92.1 | Very high | 25 Ų | 25 | 40.3 Ų | 40.3 | 21% | 0.207 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -65.4 | -47.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V194 C202 I203 | V194-A199 WeakPolarHBondContact O-CB 3.45Å; V194-A199 PolarHBondContact O-N 3.09Å; A199-C202 PolarHBondContact O-N 3.14Å; A199-I203 WeakPolarHBondContact O-CB 3.44Å; A199-I203 WeakPolarHBondContact O-CD1 3.27Å; A199-I203 WeakPolarHBondContact O-CG1 3.23Å; A199-I203 PolarHBondContact O-N 2.93Å |
| 200 | G | 92.9 | Very high | 92.3 | Very high | 20 Ų | 20 | 40.8 Ų | 40.8 | 21% | 0.206 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -53.6 | -57.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V195 C202 I203 L204 | V195-G200 WeakPolarHBondContact O-CA 3.42Å; V195-G200 PolarHBondContact O-N 3.31Å; G200-C202 VanDerWaalsContact C-N 3.33Å; G200-C202 PolarHBondContact O-N 3.42Å; G200-I203 PolarHBondContact O-N 3.4Å; G200-L204 WeakPolarHBondContact O-CG 3.49Å; G200-L204 PolarHBondContact O-N 3.19Å |
| 201 | P | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.1 | -36.6 | 178.5 | 20.6 | -30 | 0 | 0 | 0 | 113 | I106 W107 V110 V197 H198 L204 L205 | I106-P201 HydrophobicContact CG2-CB 3.37Å; I106-P201 HydrophobicContact CG2-CG 3.55Å; W107-P201 HydrophobicContact CD2-CB 4.4Å; W107-P201 HydrophobicContact CZ2-CB 4.41Å; W107-P201 HydrophobicContact CZ2-CG 4.45Å; V110-P201 HydrophobicContact CG2-CB 3.67Å; V197-P201 VanDerWaalsContact O-CG 3.23Å; V197-P201 WeakPolarHBondContact O-CG 3.38Å; H198-P201 WeakPolarHBondContact O-CD 3.35Å; H198-P201 WeakPolarHBondContact O-CG 3.34Å; P201-L204 PolarHBondContact O-N 2.87Å; P201-L205 WeakPolarHBondContact O-CB 3.37Å; P201-L205 VanDerWaalsContact O-CG 3.26Å; P201-L205 WeakPolarHBondContact O-CG 3.15Å; P201-L205 PolarHBondContact O-N 3.17Å |
| 202 | C | 92.9 | Very high | 92.5 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 8% | 0.081 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.6 | -45 | 175.5 | -68.5 | 0 | 0 | 0 | 0 | 112.2 | H198 A199 G200 L205 V206 L250 | H198-C202 WeakPolarHBondContact O-CB 3.48Å; H198-C202 PolarHBondContact O-N 2.95Å; H198-C202 PolarHBondContact O-SG 3.41Å; A199-C202 PolarHBondContact O-N 3.14Å; G200-C202 VanDerWaalsContact C-N 3.33Å; G200-C202 PolarHBondContact O-N 3.42Å; C202-L205 PolarHBondContact O-N 2.91Å; C202-V206 WeakPolarHBondContact O-CG2 3.48Å; C202-V206 PolarHBondContact O-N 3.3Å; C202-L250 HydrophobicContact CB-CD2 3.94Å |
| 203 | I | 94.1 | Very high | 92.3 | Very high | 101 Ų | 101 | 35.8 Ų | 35.8 | 52% | 0.518 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.4 | -46.4 | 176.5 | -69.6 | 164.4 | 0 | 0 | 0 | 110.1 | A199 G200 L205 V206 I207 | A199-I203 WeakPolarHBondContact O-CB 3.44Å; A199-I203 WeakPolarHBondContact O-CD1 3.27Å; A199-I203 WeakPolarHBondContact O-CG1 3.23Å; A199-I203 PolarHBondContact O-N 2.93Å; G200-I203 PolarHBondContact O-N 3.4Å; I203-L205 PolarHBondContact O-N 3.44Å; I203-V206 PolarHBondContact O-N 2.93Å; I203-I207 HydrophobicContact CG2-CD1 3.7Å; I203-I207 HydrophobicContact CG2-CG1 4.43Å; I203-I207 VanDerWaalsContact O-CG1 3.25Å; I203-I207 WeakPolarHBondContact O-CG1 3.44Å; I203-I207 PolarHBondContact O-N 3.43Å |
| 204 | L | 94.9 | Very high | 92.3 | Very high | 53 Ų | 53 | 43.9 Ų | 43.9 | 28% | 0.277 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 177.7 | -70.6 | 174 | 0 | 0 | 0 | 112.4 | W107 V110 G200 P201 I207 Y208 | W107-L204 HydrophobicContact CH2-CD1 3.85Å; W107-L204 HydrophobicContact CZ3-CD1 3.72Å; V110-L204 HydrophobicContact CG1-CB 3.93Å; V110-L204 HydrophobicContact CG1-CD1 4.16Å; V110-L204 HydrophobicContact CG2-CB 4.44Å; G200-L204 WeakPolarHBondContact O-CG 3.49Å; G200-L204 PolarHBondContact O-N 3.19Å; P201-L204 PolarHBondContact O-N 2.87Å; L204-I207 PolarHBondContact O-N 2.91Å; L204-Y208 HydrophobicContact CB-CD2 4.4Å; L204-Y208 HydrophobicContact CB-CE2 4.32Å; L204-Y208 HydrophobicContact CD2-CE2 4.29Å; L204-Y208 WeakPolarHBondContact O-CD2 3.23Å; L204-Y208 PolarHBondContact O-N 2.9Å |
| 205 | L | 92.7 | Very high | 92.1 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.1 | -45.4 | 175.5 | -78.7 | 169.3 | 0 | 0 | 0 | 112.1 | T109 V110 P201 C202 I203 I207 T209 L246 F249 | T109-L205 HydrophobicContact CG2-CD1 4.26Å; T109-L205 HydrophobicContact CG2-CD2 3.66Å; T109-L205 WeakPolarHBondContact O-CD2 3.17Å; V110-L205 HydrophobicContact CG2-CD1 4.34Å; V110-L205 HydrophobicContact CG2-CD2 4.17Å; V110-L205 HydrophobicContact CG2-CG 3.81Å; P201-L205 WeakPolarHBondContact O-CB 3.37Å; P201-L205 VanDerWaalsContact O-CG 3.26Å; P201-L205 WeakPolarHBondContact O-CG 3.15Å; P201-L205 PolarHBondContact O-N 3.17Å; C202-L205 PolarHBondContact O-N 2.91Å; I203-L205 PolarHBondContact O-N 3.44Å; L205-I207 VanDerWaalsContact C-N 3.34Å; L205-T209 WeakPolarHBondContact O-CB 3.49Å; L205-T209 PolarHBondContact O-N 3.26Å; L205-T209 PolarHBondContact O-OG1 3.36Å; L205-L246 HydrophobicContact CB-CD1 4.07Å; L205-F249 HydrophobicContact CD1-CD1 3.57Å; L205-F249 HydrophobicContact CD1-CE1 3.14Å; L205-F249 HydrophobicContact CD1-CE2 4.41Å; L205-F249 HydrophobicContact CD1-CG 4.38Å; L205-F249 HydrophobicContact CD1-CZ 3.62Å |
| 206 | V | 93.1 | Very high | 91.8 | Very high | 69 Ų | 69 | 43.4 Ų | 43.4 | 42% | 0.418 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 175.7 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | C202 I203 G210 L246 L250 | C202-V206 WeakPolarHBondContact O-CG2 3.48Å; C202-V206 PolarHBondContact O-N 3.3Å; I203-V206 PolarHBondContact O-N 2.93Å; V206-G210 WeakPolarHBondContact O-CA 3.4Å; V206-G210 PolarHBondContact O-N 2.89Å; V206-L246 HydrophobicContact CG2-CD1 4.34Å; V206-L246 HydrophobicContact CG2-CD2 4.37Å; V206-L250 HydrophobicContact CG2-CD1 3.78Å; V206-L250 HydrophobicContact CG2-CD2 4.25Å |
| 207 | I | 94.7 | Very high | 91.5 | Very high | 82 Ų | 82 | 41.8 Ų | 41.8 | 42% | 0.421 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.5 | -57.1 | 178.7 | -68.8 | 166.7 | 0 | 0 | 0 | 110.8 | I203 L204 L205 T209 G210 L211 | I203-I207 HydrophobicContact CG2-CD1 3.7Å; I203-I207 HydrophobicContact CG2-CG1 4.43Å; I203-I207 VanDerWaalsContact O-CG1 3.25Å; I203-I207 WeakPolarHBondContact O-CG1 3.44Å; I203-I207 PolarHBondContact O-N 3.43Å; L204-I207 PolarHBondContact O-N 2.91Å; L205-I207 VanDerWaalsContact C-N 3.34Å; I207-T209 PolarHBondContact O-N 3.47Å; I207-G210 PolarHBondContact O-N 3.28Å; I207-L211 HydrophobicContact CG2-CD1 3.89Å; I207-L211 HydrophobicContact CG2-CG 4.37Å; I207-L211 WeakPolarHBondContact O-CB 3.27Å; I207-L211 VanDerWaalsContact O-CG 3.24Å; I207-L211 WeakPolarHBondContact O-CG 3.23Å; I207-L211 PolarHBondContact O-N 3.24Å |
| 208 | Y | 93.6 | Very high | 91.2 | Very high | 56 Ų | 56 | 47.2 Ų | 47.2 | 22% | 0.22 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.8 | -38 | -176 | -72.9 | -57.9 | 0 | 0 | 0 | 112.8 | V110 S113 M114 Y117 L204 L212 | V110-Y208 HydrophobicContact CG1-CD2 4.37Å; V110-Y208 HydrophobicContact CG1-CE2 4.25Å; S113-Y208 WeakPolarHBondContact OG-CB 3.14Å; M114-Y208 HydrophobicContact CB-CD1 4.25Å; M114-Y208 HydrophobicContact CB-CD2 4.04Å; M114-Y208 HydrophobicContact CB-CE1 4.14Å; M114-Y208 HydrophobicContact CB-CE2 3.91Å; M114-Y208 HydrophobicContact CB-CG 4.22Å; M114-Y208 HydrophobicContact CG-CD1 4.37Å; M114-Y208 HydrophobicContact CG-CE1 3.84Å; M114-Y208 HydrophobicContact CG-CE2 4.18Å; Y117-Y208 HydrophobicContact CD1-CD1 4.48Å; L204-Y208 HydrophobicContact CB-CD2 4.4Å; L204-Y208 HydrophobicContact CB-CE2 4.32Å; L204-Y208 HydrophobicContact CD2-CE2 4.29Å; L204-Y208 WeakPolarHBondContact O-CD2 3.23Å; L204-Y208 PolarHBondContact O-N 2.9Å; Y208-L212 WeakPolarHBondContact O-CB 3.38Å; Y208-L212 PolarHBondContact O-N 3.47Å |
| 209 | T | 91 | Very high | 90.7 | Very high | 14 Ų | 14 | 50.9 Ų | 50.9 | 9% | 0.086 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.3 | -43 | 176.4 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | L205 I207 L212 I213 L242 L246 | L205-T209 WeakPolarHBondContact O-CB 3.49Å; L205-T209 PolarHBondContact O-N 3.26Å; L205-T209 PolarHBondContact O-OG1 3.36Å; I207-T209 PolarHBondContact O-N 3.47Å; T209-L212 PolarHBondContact O-N 2.84Å; T209-I213 HydrophobicContact CG2-CD1 3.9Å; T209-I213 HydrophobicContact CG2-CG1 4.44Å; T209-I213 WeakPolarHBondContact O-CB 3.31Å; T209-I213 VanDerWaalsContact O-CG1 3.32Å; T209-I213 WeakPolarHBondContact O-CG1 3.27Å; T209-I213 PolarHBondContact O-N 3.47Å; T209-L242 HydrophobicContact CG2-CB 4.43Å; T209-L246 HydrophobicContact CG2-CB 4.48Å; T209-L246 HydrophobicContact CG2-CD2 3.97Å |
| 210 | G | 92 | Very high | 90.3 | Very high | 25 Ų | 25 | 50 Ų | 50 | 26% | 0.258 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V206 I207 L212 I213 R214 | V206-G210 WeakPolarHBondContact O-CA 3.4Å; V206-G210 PolarHBondContact O-N 2.89Å; I207-G210 PolarHBondContact O-N 3.28Å; G210-L212 PolarHBondContact O-N 3.44Å; G210-I213 PolarHBondContact O-N 2.88Å; G210-R214 WeakPolarHBondContact O-CB 3.31Å; G210-R214 VanDerWaalsContact O-CG 3.25Å; G210-R214 WeakPolarHBondContact O-CG 3.47Å; G210-R214 PolarHBondContact O-N 3.01Å |
| 211 | L | 91.7 | Very high | 89.9 | Confident | 66 Ų | 66 | 54.9 Ų | 54.9 | 35% | 0.346 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 174.5 | -72 | 175.2 | 0 | 0 | 0 | 111.8 | Y117 I207 F215 | Y117-L211 HydrophobicContact CD2-CB 3.88Å; Y117-L211 HydrophobicContact CE2-CB 3.72Å; I207-L211 HydrophobicContact CG2-CD1 3.89Å; I207-L211 HydrophobicContact CG2-CG 4.37Å; I207-L211 WeakPolarHBondContact O-CB 3.27Å; I207-L211 VanDerWaalsContact O-CG 3.24Å; I207-L211 WeakPolarHBondContact O-CG 3.23Å; I207-L211 PolarHBondContact O-N 3.24Å; L211-F215 WeakPolarHBondContact O-CB 3.47Å; L211-F215 PolarHBondContact O-N 2.9Å |
| 212 | L | 90.3 | Very high | 89.4 | Confident | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 177 | 178 | 60.3 | 0 | 0 | 0 | 111.8 | R116 V120 Y208 T209 G210 F215 I216 L242 | R116-L212 HydrophobicContact CB-CD2 3.93Å; V120-L212 HydrophobicContact CB-CD1 4.19Å; V120-L212 HydrophobicContact CG1-CD1 4.33Å; V120-L212 HydrophobicContact CG2-CD1 4.08Å; Y208-L212 WeakPolarHBondContact O-CB 3.38Å; Y208-L212 PolarHBondContact O-N 3.47Å; T209-L212 PolarHBondContact O-N 2.84Å; G210-L212 PolarHBondContact O-N 3.44Å; L212-F215 PolarHBondContact O-N 3.34Å; L212-I216 HydrophobicContact CD1-CD1 3.85Å; L212-I216 HydrophobicContact CD1-CG1 4.23Å; L212-I216 HydrophobicContact CG-CD1 3.92Å; L212-I216 VanDerWaalsContact O-CG1 3.27Å; L212-I216 WeakPolarHBondContact O-CG1 3.5Å; L212-I216 PolarHBondContact O-N 2.95Å; L212-L242 HydrophobicContact CD2-CD1 3.82Å; L212-L242 HydrophobicContact CG-CD1 4.3Å |
| 213 | I | 89.9 | Confident | 88.7 | Confident | 34 Ų | 34 | 69.2 Ų | 69.2 | 17% | 0.174 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 177.6 | -70.8 | 169.8 | 0 | 0 | 0 | 110.3 | T209 G210 F215 I216 L217 A239 A243 | T209-I213 HydrophobicContact CG2-CD1 3.9Å; T209-I213 HydrophobicContact CG2-CG1 4.44Å; T209-I213 WeakPolarHBondContact O-CB 3.31Å; T209-I213 VanDerWaalsContact O-CG1 3.32Å; T209-I213 WeakPolarHBondContact O-CG1 3.27Å; T209-I213 PolarHBondContact O-N 3.47Å; G210-I213 PolarHBondContact O-N 2.88Å; I213-F215 VanDerWaalsContact C-N 3.3Å; I213-F215 PolarHBondContact O-N 3.45Å; I213-I216 PolarHBondContact O-N 3Å; I213-L217 HydrophobicContact CG2-CD1 3.7Å; I213-L217 HydrophobicContact CG2-CG 4.23Å; I213-L217 WeakPolarHBondContact O-CB 3.45Å; I213-L217 VanDerWaalsContact O-CG 3.32Å; I213-L217 WeakPolarHBondContact O-CG 3.35Å; I213-L217 PolarHBondContact O-N 3.36Å; I213-A239 HydrophobicContact CG1-CB 4.42Å; I213-A239 HydrophobicContact CG2-CB 4.26Å; I213-A243 HydrophobicContact CD1-CB 4.46Å |
| 214 | R | 89.5 | Confident | 87.7 | Confident | 176 Ų | 176 | 71.6 Ų | 71.6 | 66% | 0.664 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -56.1 | -46.2 | 177.4 | -75.6 | 178.7 | -177 | -163.5 | 2.4 | 111.2 | G210 L217 Q218 | G210-R214 WeakPolarHBondContact O-CB 3.31Å; G210-R214 VanDerWaalsContact O-CG 3.25Å; G210-R214 WeakPolarHBondContact O-CG 3.47Å; G210-R214 PolarHBondContact O-N 3.01Å; R214-L217 PolarHBondContact O-N 3.25Å; R214-Q218 WeakPolarHBondContact O-CB 3.18Å; R214-Q218 VanDerWaalsContact O-CG 3.25Å; R214-Q218 WeakPolarHBondContact O-CG 3.24Å; R214-Q218 PolarHBondContact O-N 3.3Å |
| 215 | F | 86.9 | Confident | 86.8 | Confident | 33 Ų | 33 | 77.3 Ų | 77.3 | 15% | 0.145 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 179.7 | -178 | -81.1 | 0 | 0 | 0 | 112.2 | V120 L124 L211 L212 I213 R219 | V120-F215 HydrophobicContact CG1-CD1 3.63Å; V120-F215 HydrophobicContact CG1-CE1 3.42Å; V120-F215 VanDerWaalsContact CG1-CE1 3.42Å; V120-F215 HydrophobicContact CG1-CZ 4.36Å; L124-F215 HydrophobicContact CB-CZ 4.19Å; L124-F215 HydrophobicContact CD1-CE1 3.38Å; L124-F215 HydrophobicContact CD1-CZ 3.7Å; L211-F215 WeakPolarHBondContact O-CB 3.47Å; L211-F215 PolarHBondContact O-N 2.9Å; L212-F215 PolarHBondContact O-N 3.34Å; I213-F215 VanDerWaalsContact C-N 3.3Å; I213-F215 PolarHBondContact O-N 3.45Å; F215-R219 VanDerWaalsContact CE1-CD 3.46Å; F215-R219 HydrophobicContact CE1-CG 4.4Å; F215-R219 PolarHBondContact O-N 3.14Å |
| 216 | I | 86.1 | Confident | 86.1 | Confident | 28 Ų | 28 | 81.3 Ų | 81.3 | 14% | 0.144 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 176.2 | -69.7 | 167.3 | 0 | 0 | 0 | 110.6 | L212 I213 R219 A220 Y235 L242 | L212-I216 HydrophobicContact CD1-CD1 3.85Å; L212-I216 HydrophobicContact CD1-CG1 4.23Å; L212-I216 HydrophobicContact CG-CD1 3.92Å; L212-I216 VanDerWaalsContact O-CG1 3.27Å; L212-I216 WeakPolarHBondContact O-CG1 3.5Å; L212-I216 PolarHBondContact O-N 2.95Å; I213-I216 PolarHBondContact O-N 3Å; I216-R219 PolarHBondContact O-N 2.94Å; I216-A220 WeakPolarHBondContact O-CB 3.39Å; I216-A220 PolarHBondContact O-N 2.8Å; I216-Y235 HydrophobicContact CG2-CD1 3.74Å; I216-Y235 HydrophobicContact CG2-CG 4.38Å; I216-L242 HydrophobicContact CD1-CD1 4.41Å |
| 217 | L | 86.4 | Confident | 85 | Confident | 65 Ų | 65 | 81.3 Ų | 81.3 | 34% | 0.34 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.9 | -41.4 | -177.7 | -68.5 | 177.3 | 0 | 0 | 0 | 112.9 | I213 R214 R219 A220 K221 | I213-L217 HydrophobicContact CG2-CD1 3.7Å; I213-L217 HydrophobicContact CG2-CG 4.23Å; I213-L217 WeakPolarHBondContact O-CB 3.45Å; I213-L217 VanDerWaalsContact O-CG 3.32Å; I213-L217 WeakPolarHBondContact O-CG 3.35Å; I213-L217 PolarHBondContact O-N 3.36Å; R214-L217 PolarHBondContact O-N 3.25Å; L217-R219 VanDerWaalsContact C-N 3.27Å; L217-R219 PolarHBondContact O-N 3.48Å; L217-A220 PolarHBondContact O-N 3.35Å; L217-K221 PolarHBondContact O-N 3.06Å |
| 218 | Q | 86.4 | Confident | 83.5 | Confident | 116 Ų | 116 | 82.6 Ų | 82.6 | 54% | 0.542 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.8 | -41.2 | 175.3 | -78.2 | 178.5 | -4.1 | 0 | 0 | 111.2 | R214 K221 R222 | R214-Q218 WeakPolarHBondContact O-CB 3.18Å; R214-Q218 VanDerWaalsContact O-CG 3.25Å; R214-Q218 WeakPolarHBondContact O-CG 3.24Å; R214-Q218 PolarHBondContact O-N 3.3Å; Q218-K221 WeakPolarHBondContact O-CB 2.99Å; Q218-K221 PolarHBondContact O-N 3.08Å; Q218-R222 WeakPolarHBondContact O-CG 3.33Å; Q218-R222 PolarHBondContact O-N 3.37Å |
| 219 | R | 80.7 | Confident | 82 | Confident | 80 Ų | 80 | 86.6 Ų | 86.6 | 30% | 0.302 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -71.9 | -38.6 | 176.1 | -74.6 | -172.3 | 170.6 | -129.7 | -1.5 | 113.1 | L124 F215 I216 L217 K221 R222 R223 | L124-R219 VanDerWaalsContact CB-NH1 3.35Å; L124-R219 PolarHBondContact O-NH2 3.47Å; F215-R219 VanDerWaalsContact CE1-CD 3.46Å; F215-R219 HydrophobicContact CE1-CG 4.4Å; F215-R219 PolarHBondContact O-N 3.14Å; I216-R219 PolarHBondContact O-N 2.94Å; L217-R219 VanDerWaalsContact C-N 3.27Å; L217-R219 PolarHBondContact O-N 3.48Å; R219-K221 PolarHBondContact O-N 2.91Å; R219-R222 PolarHBondContact O-N 3.41Å; R219-R223 WeakPolarHBondContact O-CG 3.42Å; R219-R223 PolarHBondContact O-N 3.05Å |
| 220 | A | 83.5 | Confident | 80.6 | Confident | 6 Ų | 6 | 96.3 Ų | 96.3 | 5% | 0.05 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -60.3 | -36.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.4 | I216 L217 R224 Y235 | I216-A220 WeakPolarHBondContact O-CB 3.39Å; I216-A220 PolarHBondContact O-N 2.8Å; L217-A220 PolarHBondContact O-N 3.35Å; A220-R224 WeakPolarHBondContact O-CG 3.36Å; A220-R224 PolarHBondContact O-N 2.93Å; A220-R224 VanDerWaalsContact O-N 3.08Å; A220-R224 PolarHBondContact O-NE 2.88Å; A220-Y235 HydrophobicContact CB-CD2 3.91Å; A220-Y235 HydrophobicContact CB-CG 4.02Å |
| 221 | K | 84.1 | Confident | 79.4 | Confident | 123 Ų | 123 | 99.9 Ų | 99.9 | 54% | 0.535 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.8 | -50.4 | 171.7 | -174.2 | 175.7 | -179.3 | -180 | 0 | 111.5 | L217 Q218 R219 R223 R224 F225 | L217-K221 PolarHBondContact O-N 3.06Å; Q218-K221 WeakPolarHBondContact O-CB 2.99Å; Q218-K221 PolarHBondContact O-N 3.08Å; R219-K221 PolarHBondContact O-N 2.91Å; K221-R223 VanDerWaalsContact C-N 3.32Å; K221-R223 PolarHBondContact O-N 3.08Å; K221-R224 WeakPolarHBondContact O-CB 3.46Å; K221-R224 PolarHBondContact O-N 3.44Å; K221-F225 HydrophobicContact CD-CE2 4.45Å; K221-F225 HydrophobicContact CG-CD2 4.33Å; K221-F225 HydrophobicContact CG-CE2 3.76Å; K221-F225 WeakPolarHBondContact O-CD2 2.86Å; K221-F225 PolarHBondContact O-N 3.33Å |
| 222 | R | 83 | Confident | 78 | Confident | 193 Ų | 193 | 99.7 Ų | 99.7 | 73% | 0.728 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -58.8 | -40.2 | 177.7 | -70 | -174.7 | -171.7 | -155.9 | 2.4 | 113 | Q218 R219 F225 A226 | Q218-R222 WeakPolarHBondContact O-CG 3.33Å; Q218-R222 PolarHBondContact O-N 3.37Å; R219-R222 PolarHBondContact O-N 3.41Å; R222-F225 PolarHBondContact O-N 3.48Å; R222-A226 PolarHBondContact O-N 3.4Å |
| 223 | R | 77.5 | Confident | 76.9 | Confident | 121 Ų | 121 | 104.4 Ų | 104.4 | 46% | 0.457 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.1 | -31.4 | 177.4 | -72.9 | -174.4 | 177.5 | -165.5 | -5.7 | 113.7 | R219 K221 F225 A226 S227 Y235 | R219-R223 WeakPolarHBondContact O-CG 3.42Å; R219-R223 PolarHBondContact O-N 3.05Å; K221-R223 VanDerWaalsContact C-N 3.32Å; K221-R223 PolarHBondContact O-N 3.08Å; R223-F225 VanDerWaalsContact C-N 3.27Å; R223-F225 PolarHBondContact O-N 3.11Å; R223-A226 PolarHBondContact O-N 3.12Å; R223-S227 PolarHBondContact O-N 3.45Å; R223-S227 PolarHBondContact O-OG 3.36Å; R223-Y235 PolarHBondContact NH1-OH 3.04Å |
| 224 | R | 74 | Confident | 75.9 | Confident | 151 Ų | 151 | 111.2 Ų | 111.2 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61 | -36.9 | 173.5 | -84.4 | -176.6 | -77.9 | 179.8 | -2.2 | 112.1 | A220 K221 | A220-R224 WeakPolarHBondContact O-CG 3.36Å; A220-R224 PolarHBondContact O-N 2.93Å; A220-R224 VanDerWaalsContact O-N 3.08Å; A220-R224 PolarHBondContact O-NE 2.88Å; K221-R224 WeakPolarHBondContact O-CB 3.46Å; K221-R224 PolarHBondContact O-N 3.44Å |
| 225 | F | 76.4 | Confident | 75 | Confident | 172 Ų | 172 | 105.3 Ų | 105.3 | 75% | 0.754 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -72.9 | -31.7 | 174.4 | -69.6 | -71.8 | 0 | 0 | 0 | 113 | K221 R222 R223 | K221-F225 HydrophobicContact CD-CE2 4.45Å; K221-F225 HydrophobicContact CG-CD2 4.33Å; K221-F225 HydrophobicContact CG-CE2 3.76Å; K221-F225 WeakPolarHBondContact O-CD2 2.86Å; K221-F225 PolarHBondContact O-N 3.33Å; R222-F225 PolarHBondContact O-N 3.48Å; R223-F225 VanDerWaalsContact C-N 3.27Å; R223-F225 PolarHBondContact O-N 3.11Å |
| 226 | A | 77.5 | Confident | 74.2 | Confident | 89 Ų | 89 | 108.7 Ų | 108.7 | 74% | 0.736 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -88.2 | -20.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R222 R223 | R222-A226 PolarHBondContact O-N 3.4Å; R223-A226 PolarHBondContact O-N 3.12Å |
| 227 | S | 69.1 | Low | 73.7 | Confident | 69 Ų | 69 | 110.4 Ų | 110.4 | 48% | 0.483 | 53% | 0.531 | S | S | . | . | trans | -145.9 | 121.6 | -178.4 | 55.7 | 0 | 0 | 0 | 0 | 110.5 | R223 | R223-S227 PolarHBondContact O-N 3.45Å; R223-S227 PolarHBondContact O-OG 3.36Å | ||
| 228 | S | 64.1 | Low | 73.2 | Confident | 109 Ų | 109 | 110.6 Ų | 110.6 | 76% | 0.762 | 53% | 0.532 | S | S | * | . | trans | -74 | 139.8 | 163.6 | -167.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 229 | L | 61.5 | Low | 72.8 | Confident | 140 Ų | 140 | 105.4 Ų | 105.4 | 73% | 0.733 | 51% | 0.509 | S | S | * | . | S | Bend | trans | 94.3 | 114 | 170.6 | -57.1 | 132.8 | 0 | 0 | 0 | 119.1 | ||
| 230 | R | 61.9 | Low | 72.7 | Confident | 218 Ų | 218 | 106.4 Ų | 106.4 | 82% | 0.823 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 87.2 | -4.4 | 143.4 | -69.8 | -178 | -178.5 | 177.1 | 1.7 | 123.6 | P232 | R230-P232 VanDerWaalsContact C-CD 3.42Š|
| 231 | Q | 66.4 | Low | 72.5 | Confident | 101 Ų | 101 | 108.1 Ų | 108.1 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | trans | -97.9 | -6.5 | 172.4 | -60.5 | -156.5 | -0.9 | 0 | 0 | 119.6 | T233 R234 Y235 | Q231-T233 PolarHBondContact O-N 2.94Å; Q231-R234 PolarHBondContact O-N 3.11Å; Q231-Y235 HydrophobicContact CB-CD2 4.25Å; Q231-Y235 HydrophobicContact CB-CE2 3.77Å; Q231-Y235 WeakPolarHBondContact O-CD2 3.41Å; Q231-Y235 PolarHBondContact OE1-OH 2.92Å | ||
| 232 | P | 62.7 | Low | 72.4 | Confident | 62 Ų | 62 | 103.3 Ų | 103.3 | 40% | 0.403 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.8 | -36.2 | -171.1 | 25.9 | -32.2 | 0 | 0 | 0 | 113.8 | R230 R234 Y235 H236 | R230-P232 VanDerWaalsContact C-CD 3.42Å; P232-R234 PolarHBondContact O-N 3.27Å; P232-Y235 PolarHBondContact O-N 3.3Å; P232-H236 PolarHBondContact O-N 3.31Å; P232-H236 VanDerWaalsContact O-N 3.16Å |
| 233 | T | 66.6 | Low | 72.3 | Confident | 107 Ų | 107 | 95.8 Ų | 95.8 | 66% | 0.656 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64 | -41 | -177.7 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | Q231 H236 S237 | Q231-T233 PolarHBondContact O-N 2.94Å; T233-H236 PolarHBondContact O-N 3.33Å; T233-S237 WeakPolarHBondContact O-CB 3.36Å; T233-S237 PolarHBondContact O-N 3.43Å |
| 234 | R | 70.4 | Confident | 72.6 | Confident | 176 Ų | 176 | 94.9 Ų | 94.9 | 66% | 0.664 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.8 | -40.2 | -179.9 | -170.7 | 179.4 | -177.4 | -174.2 | 2.5 | 112.6 | Q231 P232 N238 | Q231-R234 PolarHBondContact O-N 3.11Å; P232-R234 PolarHBondContact O-N 3.27Å; R234-N238 PolarHBondContact O-N 3.04Å |
| 235 | Y | 69.2 | Low | 73 | Confident | 53 Ų | 53 | 89.8 Ų | 89.8 | 21% | 0.208 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -67.4 | -41.4 | 177.1 | -70.4 | -66.6 | 0 | 0 | 0 | 111.8 | I216 A220 R223 Q231 P232 N238 A239 | I216-Y235 HydrophobicContact CG2-CD1 3.74Å; I216-Y235 HydrophobicContact CG2-CG 4.38Å; A220-Y235 HydrophobicContact CB-CD2 3.91Å; A220-Y235 HydrophobicContact CB-CG 4.02Å; R223-Y235 PolarHBondContact NH1-OH 3.04Å; Q231-Y235 HydrophobicContact CB-CD2 4.25Å; Q231-Y235 HydrophobicContact CB-CE2 3.77Å; Q231-Y235 WeakPolarHBondContact O-CD2 3.41Å; Q231-Y235 PolarHBondContact OE1-OH 2.92Å; P232-Y235 PolarHBondContact O-N 3.3Å; Y235-N238 PolarHBondContact O-N 3.06Å; Y235-A239 WeakPolarHBondContact O-CB 3.47Å; Y235-A239 PolarHBondContact O-N 3.08Å |
| 236 | H | 71.4 | Confident | 73.5 | Confident | 104 Ų | 104 | 83 Ų | 83 | 48% | 0.481 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 177.4 | -161.6 | 69.3 | 0 | 0 | 0 | 111.2 | P232 T233 N238 A239 Q240 | P232-H236 PolarHBondContact O-N 3.31Å; P232-H236 VanDerWaalsContact O-N 3.16Å; T233-H236 PolarHBondContact O-N 3.33Å; H236-N238 PolarHBondContact O-N 3.45Å; H236-A239 PolarHBondContact O-N 3.42Å; H236-Q240 VanDerWaalsContact CD2-CD 3.41Å; H236-Q240 PolarHBondContact CD2-NE2 3.4Å; H236-Q240 VanDerWaalsContact CD2-NE2 3.25Å; H236-Q240 PolarHBondContact NE2-NE2 2.83Å; H236-Q240 VanDerWaalsContact NE2-NE2 3.13Å; H236-Q240 WeakPolarHBondContact O-CB 2.98Å; H236-Q240 VanDerWaalsContact O-CG 3.3Å; H236-Q240 WeakPolarHBondContact O-CG 2.95Å; H236-Q240 PolarHBondContact O-N 2.82Å |
| 237 | S | 74.2 | Confident | 74 | Confident | 64 Ų | 64 | 82.6 Ų | 82.6 | 45% | 0.448 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.7 | -46 | 175.9 | 176.8 | 0 | 0 | 0 | 0 | 112.6 | T233 A239 Q240 M241 | T233-S237 WeakPolarHBondContact O-CB 3.36Å; T233-S237 PolarHBondContact O-N 3.43Å; S237-A239 VanDerWaalsContact C-N 3.34Å; S237-A239 PolarHBondContact O-N 3.38Å; S237-Q240 PolarHBondContact O-N 3.31Å; S237-M241 VanDerWaalsContact O-CB 3.22Å; S237-M241 WeakPolarHBondContact O-CB 3.2Å; S237-M241 PolarHBondContact O-N 3.01Å |
| 238 | N | 76.7 | Confident | 74.8 | Confident | 68 Ų | 68 | 81.3 Ų | 81.3 | 36% | 0.364 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64 | -36.6 | 176.4 | -73.1 | -14.6 | 0 | 0 | 0 | 112.9 | R234 Y235 H236 L242 | R234-N238 PolarHBondContact O-N 3.04Å; Y235-N238 PolarHBondContact O-N 3.06Å; H236-N238 PolarHBondContact O-N 3.45Å; N238-L242 WeakPolarHBondContact O-CG 3.46Å; N238-L242 PolarHBondContact O-N 3.39Å; N238-L242 VanDerWaalsContact O-N 3.15Å |
| 239 | A | 78 | Confident | 75.8 | Confident | 8 Ų | 8 | 77.7 Ų | 77.7 | 7% | 0.066 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -70.7 | -44.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I213 Y235 H236 S237 M241 L242 A243 | I213-A239 HydrophobicContact CG1-CB 4.42Å; I213-A239 HydrophobicContact CG2-CB 4.26Å; Y235-A239 WeakPolarHBondContact O-CB 3.47Å; Y235-A239 PolarHBondContact O-N 3.08Å; H236-A239 PolarHBondContact O-N 3.42Å; S237-A239 VanDerWaalsContact C-N 3.34Å; S237-A239 PolarHBondContact O-N 3.38Å; A239-M241 VanDerWaalsContact C-N 3.28Å; A239-M241 PolarHBondContact O-N 3.23Å; A239-L242 PolarHBondContact O-N 3.42Å; A239-A243 PolarHBondContact O-N 2.95Å |
| 240 | Q | 77.9 | Confident | 77.2 | Confident | 101 Ų | 101 | 72.5 Ų | 72.5 | 47% | 0.472 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -56.6 | -45 | 173.8 | -74.8 | 175.1 | -35.6 | 0 | 0 | 111.1 | H236 S237 L242 A243 I244 | H236-Q240 VanDerWaalsContact CD2-CD 3.41Å; H236-Q240 PolarHBondContact CD2-NE2 3.4Å; H236-Q240 VanDerWaalsContact CD2-NE2 3.25Å; H236-Q240 PolarHBondContact NE2-NE2 2.83Å; H236-Q240 VanDerWaalsContact NE2-NE2 3.13Å; H236-Q240 WeakPolarHBondContact O-CB 2.98Å; H236-Q240 VanDerWaalsContact O-CG 3.3Å; H236-Q240 WeakPolarHBondContact O-CG 2.95Å; H236-Q240 PolarHBondContact O-N 2.82Å; S237-Q240 PolarHBondContact O-N 3.31Å; Q240-L242 PolarHBondContact O-N 3.4Å; Q240-A243 WeakPolarHBondContact O-CB 3.48Å; Q240-A243 PolarHBondContact O-N 2.97Å; Q240-I244 WeakPolarHBondContact O-CG1 3.45Å; Q240-I244 PolarHBondContact O-N 3.19Å |
| 241 | M | 80.9 | Confident | 78.4 | Confident | 42 Ų | 42 | 64.7 Ų | 64.7 | 21% | 0.207 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.9 | -47.7 | 176.9 | 176.3 | -171.7 | 123.4 | 0 | 0 | 112.9 | S237 A239 A243 I244 I245 M305 | S237-M241 VanDerWaalsContact O-CB 3.22Å; S237-M241 WeakPolarHBondContact O-CB 3.2Å; S237-M241 PolarHBondContact O-N 3.01Å; A239-M241 VanDerWaalsContact C-N 3.28Å; A239-M241 PolarHBondContact O-N 3.23Å; M241-A243 VanDerWaalsContact C-N 3.27Å; M241-A243 PolarHBondContact O-N 2.93Å; M241-I244 PolarHBondContact O-N 3.25Å; M241-I245 WeakPolarHBondContact O-CG1 3.48Å; M241-I245 PolarHBondContact O-N 3.22Å; M241-M305 HydrophobicContact CE-CB 3.42Å; M241-M305 VanDerWaalsContact CE-CB 3.42Å; M241-M305 HydrophobicContact CE-CE 3.74Å; M241-M305 HydrophobicContact CE-CG 3.56Å; M241-M305 HydrophobicContact CE-SD 3.34Å; M241-M305 WeakPolarHBondContact CE-SD 3.26Å; M241-M305 HydrophobicContact CG-CB 4.21Å; M241-M305 HydrophobicContact CG-CG 3.32Å; M241-M305 HydrophobicContact CG-SD 3.09Å; M241-M305 WeakPolarHBondContact CG-SD 3.25Å; M241-M305 HydrophobicContact SD-CB 3.37Å; M241-M305 WeakPolarHBondContact SD-CB 3.36Å; M241-M305 HydrophobicContact SD-CG 3.17Å; M241-M305 WeakPolarHBondContact SD-CG 3.42Å; M241-M305 HydrophobicContact SD-SD 3.55Å |
| 242 | L | 81.5 | Confident | 79.3 | Confident | 22 Ų | 22 | 60.4 Ų | 60.4 | 12% | 0.115 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.4 | -37.4 | 176 | -69.9 | 169.2 | 0 | 0 | 0 | 112 | R116 T209 L212 I216 N238 A239 Q240 L246 | R116-L242 VanDerWaalsContact NH1-CD2 3.26Å; T209-L242 HydrophobicContact CG2-CB 4.43Å; L212-L242 HydrophobicContact CD2-CD1 3.82Å; L212-L242 HydrophobicContact CG-CD1 4.3Å; I216-L242 HydrophobicContact CD1-CD1 4.41Å; N238-L242 WeakPolarHBondContact O-CG 3.46Å; N238-L242 PolarHBondContact O-N 3.39Å; N238-L242 VanDerWaalsContact O-N 3.15Å; A239-L242 PolarHBondContact O-N 3.42Å; Q240-L242 PolarHBondContact O-N 3.4Å; L242-L246 PolarHBondContact O-N 3.33Å; L242-L246 VanDerWaalsContact O-N 3.14Å |
| 243 | A | 81.4 | Confident | 80.6 | Confident | 35 Ų | 35 | 57.6 Ų | 57.6 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I213 A239 Q240 M241 I245 L246 C247 | I213-A243 HydrophobicContact CD1-CB 4.46Å; A239-A243 PolarHBondContact O-N 2.95Å; Q240-A243 WeakPolarHBondContact O-CB 3.48Å; Q240-A243 PolarHBondContact O-N 2.97Å; M241-A243 VanDerWaalsContact C-N 3.27Å; M241-A243 PolarHBondContact O-N 2.93Å; A243-I245 PolarHBondContact O-N 3.48Å; A243-L246 PolarHBondContact O-N 2.87Å; A243-C247 WeakPolarHBondContact O-CB 3.46Å; A243-C247 PolarHBondContact O-N 3.37Å; A243-C247 PolarHBondContact O-SG 3.5Å |
| 244 | I | 83.4 | Confident | 81.6 | Confident | 101 Ų | 101 | 57 Ų | 57 | 52% | 0.518 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 176.5 | -69 | 164.3 | 0 | 0 | 0 | 111.1 | Q240 M241 L246 C247 I248 | Q240-I244 WeakPolarHBondContact O-CG1 3.45Å; Q240-I244 PolarHBondContact O-N 3.19Å; M241-I244 PolarHBondContact O-N 3.25Å; I244-L246 VanDerWaalsContact C-N 3.3Å; I244-L246 PolarHBondContact O-N 3.14Å; I244-C247 PolarHBondContact O-N 3.3Å; I244-I248 HydrophobicContact CG2-CD1 3.95Å; I244-I248 WeakPolarHBondContact O-CG1 3.33Å; I244-I248 PolarHBondContact O-N 2.88Å |
| 245 | I | 81.5 | Confident | 82.5 | Confident | 45 Ų | 45 | 50.9 Ų | 50.9 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.5 | -44.9 | 177.4 | -55.8 | 170.5 | 0 | 0 | 0 | 110.5 | M241 A243 C247 I248 F249 V301 M305 | M241-I245 WeakPolarHBondContact O-CG1 3.48Å; M241-I245 PolarHBondContact O-N 3.22Å; A243-I245 PolarHBondContact O-N 3.48Å; I245-C247 VanDerWaalsContact C-N 3.35Å; I245-C247 PolarHBondContact O-N 3.22Å; I245-I248 PolarHBondContact O-N 3.04Å; I245-F249 WeakPolarHBondContact O-CB 3.23Å; I245-F249 PolarHBondContact O-N 3.02Å; I245-V301 HydrophobicContact CD1-CG1 4.02Å; I245-V301 HydrophobicContact CG1-CG1 3.69Å; I245-M305 HydrophobicContact CD1-CE 3.47Å; I245-M305 VanDerWaalsContact CD1-CE 3.47Å; I245-M305 HydrophobicContact CD1-SD 3.52Å; I245-M305 VanDerWaalsContact CD1-SD 3.52Å; I245-M305 HydrophobicContact CG1-CE 4.27Å; I245-M305 HydrophobicContact CG1-SD 3.88Å |
| 246 | L | 87 | Confident | 83.3 | Confident | 29 Ų | 29 | 48.4 Ų | 48.4 | 15% | 0.152 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62 | -43.3 | 178 | 179.4 | 65.6 | 0 | 0 | 0 | 111.1 | L205 V206 T209 L242 A243 I244 F249 L250 | L205-L246 HydrophobicContact CB-CD1 4.07Å; V206-L246 HydrophobicContact CG2-CD1 4.34Å; V206-L246 HydrophobicContact CG2-CD2 4.37Å; T209-L246 HydrophobicContact CG2-CB 4.48Å; T209-L246 HydrophobicContact CG2-CD2 3.97Å; L242-L246 PolarHBondContact O-N 3.33Å; L242-L246 VanDerWaalsContact O-N 3.14Å; A243-L246 PolarHBondContact O-N 2.87Å; I244-L246 VanDerWaalsContact C-N 3.3Å; I244-L246 PolarHBondContact O-N 3.14Å; L246-F249 PolarHBondContact O-N 2.97Å; L246-L250 HydrophobicContact CD1-CD1 3.94Å; L246-L250 HydrophobicContact CD1-CD2 4.48Å; L246-L250 HydrophobicContact CD1-CG 3.97Å; L246-L250 HydrophobicContact CD2-CD1 4.39Å; L246-L250 HydrophobicContact CG-CD1 3.8Å; L246-L250 HydrophobicContact CG-CG 4.21Å; L246-L250 WeakPolarHBondContact O-CB 3.42Å; L246-L250 VanDerWaalsContact O-CG 3.23Å; L246-L250 WeakPolarHBondContact O-CG 3.45Å; L246-L250 PolarHBondContact O-N 3.13Å |
| 247 | C | 87.4 | Confident | 84 | Confident | 80 Ų | 80 | 44.6 Ų | 44.6 | 54% | 0.541 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 177.7 | -70.1 | 0 | 0 | 0 | 0 | 112 | A243 I244 I245 L250 A251 | A243-C247 WeakPolarHBondContact O-CB 3.46Å; A243-C247 PolarHBondContact O-N 3.37Å; A243-C247 PolarHBondContact O-SG 3.5Å; I244-C247 PolarHBondContact O-N 3.3Å; I245-C247 VanDerWaalsContact C-N 3.35Å; I245-C247 PolarHBondContact O-N 3.22Å; C247-L250 PolarHBondContact O-N 2.76Å; C247-A251 WeakPolarHBondContact O-CB 3.26Å; C247-A251 PolarHBondContact O-N 2.95Å |
| 248 | I | 86.1 | Confident | 84.7 | Confident | 42 Ų | 42 | 45 Ų | 45 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.9 | -49.5 | 175.7 | -69.5 | 168.5 | 0 | 0 | 0 | 110.1 | I244 I245 A251 T252 F294 V301 | I244-I248 HydrophobicContact CG2-CD1 3.95Å; I244-I248 WeakPolarHBondContact O-CG1 3.33Å; I244-I248 PolarHBondContact O-N 2.88Å; I245-I248 PolarHBondContact O-N 3.04Å; I248-A251 PolarHBondContact O-N 3.4Å; I248-T252 PolarHBondContact O-N 3.29Å; I248-T252 PolarHBondContact O-OG1 2.76Å; I248-F294 HydrophobicContact CG2-CD1 4Å; I248-V301 HydrophobicContact CD1-CG2 4.16Å |
| 249 | F | 86.7 | Confident | 85.1 | Confident | 33 Ų | 33 | 42.7 Ų | 42.7 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 179.3 | -177.5 | -86.5 | 0 | 0 | 0 | 112.5 | I106 L205 I245 L246 T252 E253 | I106-F249 HydrophobicContact CB-CZ 4.19Å; I106-F249 HydrophobicContact CG1-CE2 4.07Å; I106-F249 HydrophobicContact CG1-CZ 3.83Å; I106-F249 HydrophobicContact CG2-CZ 3.92Å; L205-F249 HydrophobicContact CD1-CD1 3.57Å; L205-F249 HydrophobicContact CD1-CE1 3.14Å; L205-F249 HydrophobicContact CD1-CE2 4.41Å; L205-F249 HydrophobicContact CD1-CG 4.38Å; L205-F249 HydrophobicContact CD1-CZ 3.62Å; I245-F249 WeakPolarHBondContact O-CB 3.23Å; I245-F249 PolarHBondContact O-N 3.02Å; L246-F249 PolarHBondContact O-N 2.97Å; F249-T252 PolarHBondContact O-N 2.77Å; F249-T252 PolarHBondContact O-OG1 2.93Å; F249-E253 HydrophobicContact CD1-CG 4.15Å; F249-E253 HydrophobicContact CE1-CB 4.41Å; F249-E253 HydrophobicContact CE1-CG 3.61Å; F249-E253 HydrophobicContact CE2-CG 4.27Å; F249-E253 HydrophobicContact CZ-CG 3.68Å; F249-E253 WeakPolarHBondContact O-CG 3.37Å; F249-E253 PolarHBondContact O-N 3.25Å |
| 250 | L | 89.2 | Confident | 85.4 | Confident | 31 Ų | 31 | 43.5 Ų | 43.5 | 16% | 0.162 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69 | -35.6 | 178.1 | -69.3 | 177.5 | 0 | 0 | 0 | 112.1 | C202 V206 L246 C247 T252 E253 I254 | C202-L250 HydrophobicContact CB-CD2 3.94Å; V206-L250 HydrophobicContact CG2-CD1 3.78Å; V206-L250 HydrophobicContact CG2-CD2 4.25Å; L246-L250 HydrophobicContact CD1-CD1 3.94Å; L246-L250 HydrophobicContact CD1-CD2 4.48Å; L246-L250 HydrophobicContact CD1-CG 3.97Å; L246-L250 HydrophobicContact CD2-CD1 4.39Å; L246-L250 HydrophobicContact CG-CD1 3.8Å; L246-L250 HydrophobicContact CG-CG 4.21Å; L246-L250 WeakPolarHBondContact O-CB 3.42Å; L246-L250 VanDerWaalsContact O-CG 3.23Å; L246-L250 WeakPolarHBondContact O-CG 3.45Å; L246-L250 PolarHBondContact O-N 3.13Å; C247-L250 PolarHBondContact O-N 2.76Å; L250-T252 PolarHBondContact O-N 3.35Å; L250-E253 PolarHBondContact O-N 2.79Å; L250-I254 HydrophobicContact CB-CD1 4.05Å; L250-I254 VanDerWaalsContact O-CB 3.3Å; L250-I254 WeakPolarHBondContact O-CB 3.09Å; L250-I254 WeakPolarHBondContact O-CD1 3.17Å; L250-I254 WeakPolarHBondContact O-CG1 3.34Å; L250-I254 PolarHBondContact O-N 3.22Å |
| 251 | A | 87.6 | Confident | 85.8 | Confident | 55 Ų | 55 | 41.7 Ų | 41.7 | 46% | 0.455 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.9 | -31.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | C247 I248 P255 | C247-A251 WeakPolarHBondContact O-CB 3.26Å; C247-A251 PolarHBondContact O-N 2.95Å; I248-A251 PolarHBondContact O-N 3.4Å; A251-P255 WeakPolarHBondContact O-CD 3.33Å; A251-P255 WeakPolarHBondContact O-CG 3.28Å |
| 252 | T | 86.1 | Confident | 85.8 | Confident | 11 Ų | 11 | 45 Ų | 45 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -81.5 | -36 | 175.2 | 54.8 | 0 | 0 | 0 | 0 | 113 | I248 F249 L250 L290 F294 | I248-T252 PolarHBondContact O-N 3.29Å; I248-T252 PolarHBondContact O-OG1 2.76Å; F249-T252 PolarHBondContact O-N 2.77Å; F249-T252 PolarHBondContact O-OG1 2.93Å; L250-T252 PolarHBondContact O-N 3.35Å; T252-L290 HydrophobicContact CG2-CG 4.47Å; T252-F294 HydrophobicContact CG2-CB 3.55Å; T252-F294 HydrophobicContact CG2-CD1 3.9Å; T252-F294 HydrophobicContact CG2-CD2 4.06Å; T252-F294 HydrophobicContact CG2-CG 3.54Å |
| 253 | E | 89.6 | Confident | 85.8 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -87.4 | -32.7 | -175 | -67.3 | -50.9 | 137.3 | 0 | 0 | 115 | H102 H198 F249 L250 A256 V257 R287 | H102-E253 IonicContact CE1-OE1 3.94Å; H102-E253 PolarHBondContact CE1-OE1 2.98Å; H102-E253 VanDerWaalsContact CE1-OE1 3.25Å; H102-E253 IonicContact NE2-OE1 3.97Å; H102-E253 PolarHBondContact NE2-OE1 3.31Å; H102-E253 IonicContact NE2-OE2 2.64Å; H198-E253 IonicContact ND1-OE2 2.71Å; F249-E253 HydrophobicContact CD1-CG 4.15Å; F249-E253 HydrophobicContact CE1-CB 4.41Å; F249-E253 HydrophobicContact CE1-CG 3.61Å; F249-E253 HydrophobicContact CE2-CG 4.27Å; F249-E253 HydrophobicContact CZ-CG 3.68Å; F249-E253 WeakPolarHBondContact O-CG 3.37Å; F249-E253 PolarHBondContact O-N 3.25Å; L250-E253 PolarHBondContact O-N 2.79Å; E253-A256 VanDerWaalsContact O-CB 3.29Å; E253-A256 WeakPolarHBondContact O-CB 3.22Å; E253-A256 PolarHBondContact O-N 3.17Å; E253-V257 PolarHBondContact O-N 3.44Å; E253-V257 VanDerWaalsContact O-N 3.12Å; E253-R287 IonicContact OE2-NH2 3.35Å |
| 254 | I | 87.8 | Confident | 85.7 | Confident | 93 Ų | 93 | 43.8 Ų | 43.8 | 48% | 0.477 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.9 | -44.3 | 179.9 | -71.3 | 168.5 | 0 | 0 | 0 | 112.1 | L250 A256 V257 V258 | L250-I254 HydrophobicContact CB-CD1 4.05Å; L250-I254 VanDerWaalsContact O-CB 3.3Å; L250-I254 WeakPolarHBondContact O-CB 3.09Å; L250-I254 WeakPolarHBondContact O-CD1 3.17Å; L250-I254 WeakPolarHBondContact O-CG1 3.34Å; L250-I254 PolarHBondContact O-N 3.22Å; I254-A256 PolarHBondContact O-N 2.9Å; I254-V257 WeakPolarHBondContact O-CB 3.43Å; I254-V257 PolarHBondContact O-N 3.32Å; I254-V257 VanDerWaalsContact O-N 3.14Å; I254-V258 HydrophobicContact CG2-CG2 4.35Å; I254-V258 WeakPolarHBondContact O-CG2 3.34Å; I254-V258 PolarHBondContact O-N 3.47Å |
| 255 | P | 88.6 | Confident | 85.6 | Confident | 48 Ų | 48 | 42.8 Ų | 42.8 | 31% | 0.312 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -56.6 | -36.1 | 174.7 | -26.4 | 35.3 | 0 | 0 | 0 | 113 | A251 V258 I259 L290 | A251-P255 WeakPolarHBondContact O-CD 3.33Å; A251-P255 WeakPolarHBondContact O-CG 3.28Å; P255-V258 PolarHBondContact O-N 2.67Å; P255-I259 WeakPolarHBondContact O-CD1 3.46Å; P255-I259 WeakPolarHBondContact O-CG1 3.16Å; P255-I259 PolarHBondContact O-N 3.13Å; P255-L290 HydrophobicContact CG-CD2 4.46Å |
| 256 | A | 86.1 | Confident | 85.4 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.2 | -47.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E253 I254 V258 I259 Y260 R287 | E253-A256 VanDerWaalsContact O-CB 3.29Å; E253-A256 WeakPolarHBondContact O-CB 3.22Å; E253-A256 PolarHBondContact O-N 3.17Å; I254-A256 PolarHBondContact O-N 2.9Å; A256-V258 VanDerWaalsContact C-N 3.29Å; A256-V258 PolarHBondContact O-N 3.22Å; A256-I259 PolarHBondContact O-N 3.43Å; A256-Y260 WeakPolarHBondContact O-CD2 3.43Å; A256-Y260 PolarHBondContact O-N 3.17Å; A256-R287 HydrophobicContact CB-CG 4.16Å |
| 257 | V | 86.9 | Confident | 84.9 | Confident | 24 Ų | 24 | 41.8 Ų | 41.8 | 15% | 0.145 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.9 | -47.3 | 176.1 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | H198 E253 I254 Y260 I261 | H198-V257 HydrophobicContact CB-CG2 3.58Å; E253-V257 PolarHBondContact O-N 3.44Å; E253-V257 VanDerWaalsContact O-N 3.12Å; I254-V257 WeakPolarHBondContact O-CB 3.43Å; I254-V257 PolarHBondContact O-N 3.32Å; I254-V257 VanDerWaalsContact O-N 3.14Å; V257-Y260 PolarHBondContact O-N 3.2Å; V257-I261 HydrophobicContact CG1-CD1 3.68Å; V257-I261 HydrophobicContact CG1-CG1 4.37Å; V257-I261 WeakPolarHBondContact O-CB 3.4Å; V257-I261 VanDerWaalsContact O-CG1 3.27Å; V257-I261 WeakPolarHBondContact O-CG1 3.35Å; V257-I261 PolarHBondContact O-N 3.39Å |
| 258 | V | 87.7 | Confident | 84.4 | Confident | 73 Ų | 73 | 41.2 Ų | 41.2 | 44% | 0.442 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 179.6 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | I254 P255 A256 Y260 I261 M262 | I254-V258 HydrophobicContact CG2-CG2 4.35Å; I254-V258 WeakPolarHBondContact O-CG2 3.34Å; I254-V258 PolarHBondContact O-N 3.47Å; P255-V258 PolarHBondContact O-N 2.67Å; A256-V258 VanDerWaalsContact C-N 3.29Å; A256-V258 PolarHBondContact O-N 3.22Å; V258-Y260 PolarHBondContact O-N 3.06Å; V258-I261 PolarHBondContact O-N 2.88Å; V258-M262 HydrophobicContact CG1-CG 4.45Å; V258-M262 HydrophobicContact CG1-SD 4.18Å; V258-M262 WeakPolarHBondContact O-CB 3.3Å; V258-M262 VanDerWaalsContact O-CG 3.31Å; V258-M262 WeakPolarHBondContact O-CG 3.46Å; V258-M262 PolarHBondContact O-N 3.07Å |
| 259 | I | 85.6 | Confident | 84 | Confident | 19 Ų | 19 | 45 Ų | 45 | 10% | 0.097 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | 179.3 | -67.8 | 162.3 | 0 | 0 | 0 | 111.1 | P255 A256 M262 H263 M280 A283 L284 R287 | P255-I259 WeakPolarHBondContact O-CD1 3.46Å; P255-I259 WeakPolarHBondContact O-CG1 3.16Å; P255-I259 PolarHBondContact O-N 3.13Å; A256-I259 PolarHBondContact O-N 3.43Å; I259-M262 PolarHBondContact O-N 3.38Å; I259-H263 WeakPolarHBondContact O-CB 3.36Å; I259-H263 PolarHBondContact O-N 3.18Å; I259-M280 HydrophobicContact CG2-CG 4.24Å; I259-A283 HydrophobicContact CD1-CB 3.83Å; I259-A283 HydrophobicContact CG1-CB 4.05Å; I259-L284 HydrophobicContact CG2-CD2 3.55Å; I259-L284 HydrophobicContact CG2-CG 3.83Å; I259-R287 HydrophobicContact CD1-CB 3.98Å; I259-R287 HydrophobicContact CD1-CG 4.42Å |
| 260 | Y | 84.2 | Confident | 83.2 | Confident | 25 Ų | 25 | 51.7 Ų | 51.7 | 10% | 0.098 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.1 | -39.4 | 179 | -78.8 | -69.3 | 0 | 0 | 0 | 112.6 | R99 V190 H198 A256 V257 V258 M262 H263 V264 | R99-Y260 PolarHBondContact NH1-OH 3.37Å; R99-Y260 PolarHBondContact NH2-OH 3Å; V190-Y260 HydrophobicContact CG1-CD1 3.91Å; H198-Y260 AromaticContact CD2-CD2 3.59Å; H198-Y260 AromaticContact CD2-CE2 3.74Å; H198-Y260 AromaticContact CE1-CE2 3.85Å; H198-Y260 AromaticContact NE2-CD2 3.46Å; H198-Y260 WeakPolarHBondContact NE2-CD2 3.43Å; H198-Y260 AromaticContact NE2-CE2 3.07Å; H198-Y260 WeakPolarHBondContact NE2-CE2 3.37Å; H198-Y260 AromaticContact NE2-CZ 3.88Å; A256-Y260 WeakPolarHBondContact O-CD2 3.43Å; A256-Y260 PolarHBondContact O-N 3.17Å; V257-Y260 PolarHBondContact O-N 3.2Å; V258-Y260 PolarHBondContact O-N 3.06Å; Y260-M262 VanDerWaalsContact C-N 3.34Å; Y260-M262 PolarHBondContact O-N 3.23Å; Y260-H263 WeakPolarHBondContact O-CB 3.16Å; Y260-H263 PolarHBondContact O-N 3.07Å; Y260-V264 WeakPolarHBondContact O-CG2 3.21Å; Y260-V264 PolarHBondContact O-N 2.81Å |
| 261 | I | 85.4 | Confident | 81.7 | Confident | 63 Ų | 63 | 56.2 Ų | 56.2 | 32% | 0.323 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 173 | -70.5 | 171.3 | 0 | 0 | 0 | 110.1 | V194 V257 V258 H263 V264 L265 | V194-I261 HydrophobicContact CG1-CD1 4.5Å; V194-I261 HydrophobicContact CG1-CG1 4.03Å; V194-I261 HydrophobicContact CG2-CG1 4.4Å; V257-I261 HydrophobicContact CG1-CD1 3.68Å; V257-I261 HydrophobicContact CG1-CG1 4.37Å; V257-I261 WeakPolarHBondContact O-CB 3.4Å; V257-I261 VanDerWaalsContact O-CG1 3.27Å; V257-I261 WeakPolarHBondContact O-CG1 3.35Å; V257-I261 PolarHBondContact O-N 3.39Å; V258-I261 PolarHBondContact O-N 2.88Å; I261-H263 VanDerWaalsContact C-N 3.29Å; I261-H263 PolarHBondContact O-N 3.3Å; I261-V264 PolarHBondContact O-N 3.39Å; I261-L265 HydrophobicContact CG2-CD1 3.77Å; I261-L265 HydrophobicContact CG2-CG 4.17Å; I261-L265 WeakPolarHBondContact O-CB 3.36Å; I261-L265 VanDerWaalsContact O-CG 3.28Å; I261-L265 WeakPolarHBondContact O-CG 3.3Å; I261-L265 PolarHBondContact O-N 3.48Å |
| 262 | M | 82.7 | Confident | 80.1 | Confident | 112 Ų | 112 | 55.3 Ų | 55.3 | 55% | 0.552 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.2 | -40.8 | 175.3 | -72.5 | -177.1 | 73 | 0 | 0 | 112.1 | V258 I259 Y260 H266 | V258-M262 HydrophobicContact CG1-CG 4.45Å; V258-M262 HydrophobicContact CG1-SD 4.18Å; V258-M262 WeakPolarHBondContact O-CB 3.3Å; V258-M262 VanDerWaalsContact O-CG 3.31Å; V258-M262 WeakPolarHBondContact O-CG 3.46Å; V258-M262 PolarHBondContact O-N 3.07Å; I259-M262 PolarHBondContact O-N 3.38Å; Y260-M262 VanDerWaalsContact C-N 3.34Å; Y260-M262 PolarHBondContact O-N 3.23Å; M262-H266 VanDerWaalsContact O-CB 3.26Å; M262-H266 WeakPolarHBondContact O-CB 3.32Å; M262-H266 PolarHBondContact O-N 3.07Å |
| 263 | H | 80.1 | Confident | 78.8 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 14% | 0.139 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 175.7 | -171.1 | -71.7 | 0 | 0 | 0 | 111.8 | I259 Y260 I261 H266 L267 M280 | I259-H263 WeakPolarHBondContact O-CB 3.36Å; I259-H263 PolarHBondContact O-N 3.18Å; Y260-H263 WeakPolarHBondContact O-CB 3.16Å; Y260-H263 PolarHBondContact O-N 3.07Å; I261-H263 VanDerWaalsContact C-N 3.29Å; I261-H263 PolarHBondContact O-N 3.3Å; H263-H266 WeakPolarHBondContact O-CB 3.33Å; H263-H266 PolarHBondContact O-N 3.08Å; H263-L267 WeakPolarHBondContact O-CG 3.35Å; H263-L267 PolarHBondContact O-N 3.12Å; H263-M280 HydrophobicContact CB-SD 3.68Å; H263-M280 WeakPolarHBondContact CD2-CE 3.35Å; H263-M280 PolarHBondContact CD2-SD 3.22Å |
| 264 | V | 80.6 | Confident | 77.4 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.6 | -51.3 | 177 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | V190 W191 Y260 I261 H266 L267 T268 | V190-V264 HydrophobicContact CB-CG2 3.62Å; V190-V264 HydrophobicContact CG1-CG2 3.2Å; W191-V264 HydrophobicContact CD2-CG1 4.16Å; W191-V264 HydrophobicContact CG-CG1 4.24Å; W191-V264 HydrophobicContact CZ2-CG1 3.99Å; Y260-V264 WeakPolarHBondContact O-CG2 3.21Å; Y260-V264 PolarHBondContact O-N 2.81Å; I261-V264 PolarHBondContact O-N 3.39Å; V264-H266 PolarHBondContact O-N 3.48Å; V264-L267 PolarHBondContact O-N 3Å; V264-T268 WeakPolarHBondContact O-CB 3.42Å; V264-T268 PolarHBondContact O-N 3.41Å; V264-T268 PolarHBondContact O-OG1 3.27Å; V264-T268 VanDerWaalsContact O-OG1 3.04Å |
| 265 | L | 80.6 | Confident | 76 | Confident | 81 Ų | 81 | 69.8 Ų | 69.8 | 42% | 0.424 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -55.1 | -40.3 | 178.8 | -68.7 | 171.8 | 0 | 0 | 0 | 109.8 | I261 F269 | I261-L265 HydrophobicContact CG2-CD1 3.77Å; I261-L265 HydrophobicContact CG2-CG 4.17Å; I261-L265 WeakPolarHBondContact O-CB 3.36Å; I261-L265 VanDerWaalsContact O-CG 3.28Å; I261-L265 WeakPolarHBondContact O-CG 3.3Å; I261-L265 PolarHBondContact O-N 3.48Å; L265-F269 HydrophobicContact CB-CD2 4.38Å; L265-F269 HydrophobicContact CD2-CD2 4.26Å; L265-F269 HydrophobicContact CD2-CE2 3.73Å; L265-F269 WeakPolarHBondContact O-CB 3.36Å; L265-F269 WeakPolarHBondContact O-CD2 3.49Å; L265-F269 PolarHBondContact O-N 3.27Å |
| 266 | H | 77.4 | Confident | 75 | Confident | 18 Ų | 18 | 74.8 Ų | 74.8 | 8% | 0.083 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.3 | -49.1 | 174.9 | -178.7 | 47.7 | 0 | 0 | 0 | 113.3 | M262 H263 V264 K270 I272 Y277 | M262-H266 VanDerWaalsContact O-CB 3.26Å; M262-H266 WeakPolarHBondContact O-CB 3.32Å; M262-H266 PolarHBondContact O-N 3.07Å; H263-H266 WeakPolarHBondContact O-CB 3.33Å; H263-H266 PolarHBondContact O-N 3.08Å; V264-H266 PolarHBondContact O-N 3.48Å; H266-K270 PolarHBondContact O-N 2.87Å; H266-K270 VanDerWaalsContact O-N 3.09Å; H266-I272 HydrophobicContact CB-CD1 4.24Å; H266-I272 PolarHBondContact CE1-O 3.4Å; H266-I272 VanDerWaalsContact CE1-O 3.24Å; H266-I272 WeakPolarHBondContact ND1-CB 3.5Å; H266-Y277 AromaticContact CD2-CE1 3.88Å; H266-Y277 AromaticContact CD2-CE2 3.64Å; H266-Y277 AromaticContact CD2-CZ 3.31Å; H266-Y277 PolarHBondContact CD2-OH 3.18Å; H266-Y277 AromaticContact CE1-CE2 3.89Å; H266-Y277 AromaticContact NE2-CD2 3.79Å; H266-Y277 AromaticContact NE2-CE1 3.98Å; H266-Y277 AromaticContact NE2-CE2 2.88Å; H266-Y277 WeakPolarHBondContact NE2-CE2 3.31Å; H266-Y277 AromaticContact NE2-CZ 2.99Å; H266-Y277 PolarHBondContact NE2-OH 2.72Å |
| 267 | L | 75.4 | Confident | 74.5 | Confident | 35 Ų | 35 | 78.6 Ų | 78.6 | 18% | 0.183 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 178.6 | -72.6 | 179.1 | 0 | 0 | 0 | 112.8 | F186 I187 V190 H263 V264 | F186-L267 HydrophobicContact CB-CD1 4.22Å; I187-L267 HydrophobicContact CG1-CB 3.85Å; I187-L267 HydrophobicContact CG1-CD1 4.43Å; V190-L267 HydrophobicContact CG2-CD1 4.4Å; H263-L267 WeakPolarHBondContact O-CG 3.35Å; H263-L267 PolarHBondContact O-N 3.12Å; V264-L267 PolarHBondContact O-N 3Å |
| 268 | T | 78.6 | Confident | 74.1 | Confident | 68 Ų | 68 | 82.1 Ų | 82.1 | 42% | 0.417 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.4 | -46.4 | -176.5 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | V264 | V264-T268 WeakPolarHBondContact O-CB 3.42Å; V264-T268 PolarHBondContact O-N 3.41Å; V264-T268 PolarHBondContact O-OG1 3.27Å; V264-T268 VanDerWaalsContact O-OG1 3.04Å |
| 269 | F | 77.3 | Confident | 73.8 | Confident | 122 Ų | 122 | 81.6 Ų | 81.6 | 54% | 0.535 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -88.3 | -16.2 | -172.3 | -72 | -68.8 | 0 | 0 | 0 | 113.8 | L265 I271 | L265-F269 HydrophobicContact CB-CD2 4.38Å; L265-F269 HydrophobicContact CD2-CD2 4.26Å; L265-F269 HydrophobicContact CD2-CE2 3.73Å; L265-F269 WeakPolarHBondContact O-CB 3.36Å; L265-F269 WeakPolarHBondContact O-CD2 3.49Å; L265-F269 PolarHBondContact O-N 3.27Å; F269-I271 HydrophobicContact CB-CB 3.98Å; F269-I271 HydrophobicContact CB-CD1 3.45Å; F269-I271 VanDerWaalsContact CB-CD1 3.45Å; F269-I271 HydrophobicContact CB-CG1 3.62Å; F269-I271 HydrophobicContact CD1-CD1 3.96Å; F269-I271 HydrophobicContact CG-CD1 3.83Å; F269-I271 WeakPolarHBondContact O-CG1 3.33Å; F269-I271 PolarHBondContact O-N 3.48Å |
| 270 | K | 69.2 | Low | 73.6 | Confident | 172 Ų | 172 | 81.7 Ų | 81.7 | 75% | 0.748 | 40% | 0.399 | S | S | * | . | trans | 51.4 | 15.6 | -171 | -58.5 | -178.2 | 179.2 | 177 | 0 | 113.9 | H266 I272 | H266-K270 PolarHBondContact O-N 2.87Å; H266-K270 VanDerWaalsContact O-N 3.09Å; K270-I272 VanDerWaalsContact C-N 3.3Å; K270-I272 PolarHBondContact O-N 2.83Å | ||
| 271 | I | 58.4 | Low | 73.6 | Confident | 126 Ų | 126 | 81.2 Ų | 81.2 | 65% | 0.646 | 40% | 0.398 | S | S | * | . | trans | -74 | -14.5 | -164.2 | -84.4 | 170.8 | 0 | 0 | 0 | 113.5 | F269 | F269-I271 HydrophobicContact CB-CB 3.98Å; F269-I271 HydrophobicContact CB-CD1 3.45Å; F269-I271 VanDerWaalsContact CB-CD1 3.45Å; F269-I271 HydrophobicContact CB-CG1 3.62Å; F269-I271 HydrophobicContact CD1-CD1 3.96Å; F269-I271 HydrophobicContact CG-CD1 3.83Å; F269-I271 WeakPolarHBondContact O-CG1 3.33Å; F269-I271 PolarHBondContact O-N 3.48Å | ||
| 272 | I | 53.9 | Low | 73.6 | Confident | 37 Ų | 37 | 80.4 Ų | 80.4 | 19% | 0.19 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -120.9 | 132.8 | -158 | -51.8 | 168.8 | 0 | 0 | 0 | 113.1 | H266 K270 R276 | H266-I272 HydrophobicContact CB-CD1 4.24Å; H266-I272 PolarHBondContact CE1-O 3.4Å; H266-I272 VanDerWaalsContact CE1-O 3.24Å; H266-I272 WeakPolarHBondContact ND1-CB 3.5Å; K270-I272 VanDerWaalsContact C-N 3.3Å; K270-I272 PolarHBondContact O-N 2.83Å; I272-R276 VanDerWaalsContact CD1-NH1 3.28Å; I272-R276 HydrophobicContact CG2-CB 3.4Å; I272-R276 VanDerWaalsContact CG2-CB 3.4Å; I272-R276 HydrophobicContact CG2-CG 3.21Å |
| 273 | P | 59.7 | Low | 73.9 | Confident | 80 Ų | 80 | 76.6 Ų | 76.6 | 52% | 0.519 | 38% | 0.38 | S | S | . | . | trans | -63.7 | 158.9 | 177.5 | 24.1 | -33.9 | 0 | 0 | 0 | 113.8 | R275 R276 | P273-R275 PolarHBondContact O-N 3.47Å; P273-R276 PolarHBondContact O-N 3.28Å; P273-R276 VanDerWaalsContact O-N 3.12Å | ||
| 274 | P | 59.8 | Low | 74.1 | Confident | 108 Ų | 108 | 76.9 Ų | 76.9 | 70% | 0.701 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -25.4 | -175.6 | 18.6 | -32.4 | 0 | 0 | 0 | 114.8 | R276 Y277 | P274-R276 VanDerWaalsContact C-N 3.27Å; P274-R276 PolarHBondContact O-N 3.3Å; P274-Y277 WeakPolarHBondContact O-CB 3.48Å; P274-Y277 PolarHBondContact O-N 3.33Å; P274-Y277 VanDerWaalsContact O-N 3.11Å |
| 275 | R | 57.9 | Low | 74.5 | Confident | 223 Ų | 223 | 77 Ų | 77 | 84% | 0.842 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -55.1 | -34.2 | 176.5 | -77.1 | -171.5 | 174.9 | 177.6 | -0.6 | 113.9 | P273 H278 | P273-R275 PolarHBondContact O-N 3.47Å; R275-H278 WeakPolarHBondContact O-CB 3.28Å; R275-H278 PolarHBondContact O-N 2.97Å |
| 276 | R | 68.5 | Low | 75 | Confident | 152 Ų | 152 | 77.7 Ų | 77.7 | 57% | 0.574 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -76.3 | -20.5 | 179.7 | -65 | -152.4 | -155.4 | 155.9 | -5.5 | 113.7 | I272 P273 P274 H278 A279 M280 | I272-R276 VanDerWaalsContact CD1-NH1 3.28Å; I272-R276 HydrophobicContact CG2-CB 3.4Å; I272-R276 VanDerWaalsContact CG2-CB 3.4Å; I272-R276 HydrophobicContact CG2-CG 3.21Å; P273-R276 PolarHBondContact O-N 3.28Å; P273-R276 VanDerWaalsContact O-N 3.12Å; P274-R276 VanDerWaalsContact C-N 3.27Å; P274-R276 PolarHBondContact O-N 3.3Å; R276-H278 PolarHBondContact O-N 3.11Å; R276-A279 PolarHBondContact O-N 3.06Å; R276-M280 WeakPolarHBondContact O-CB 3.46Å; R276-M280 PolarHBondContact O-N 2.83Å |
| 277 | Y | 74.1 | Confident | 75.6 | Confident | 82 Ų | 82 | 78.1 Ų | 78.1 | 32% | 0.322 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.9 | -36.5 | 170.5 | -83.7 | -81.3 | 0 | 0 | 0 | 111.4 | H266 P274 M280 N281 | H266-Y277 AromaticContact CD2-CE1 3.88Å; H266-Y277 AromaticContact CD2-CE2 3.64Å; H266-Y277 AromaticContact CD2-CZ 3.31Å; H266-Y277 PolarHBondContact CD2-OH 3.18Å; H266-Y277 AromaticContact CE1-CE2 3.89Å; H266-Y277 AromaticContact NE2-CD2 3.79Å; H266-Y277 AromaticContact NE2-CE1 3.98Å; H266-Y277 AromaticContact NE2-CE2 2.88Å; H266-Y277 WeakPolarHBondContact NE2-CE2 3.31Å; H266-Y277 AromaticContact NE2-CZ 2.99Å; H266-Y277 PolarHBondContact NE2-OH 2.72Å; P274-Y277 WeakPolarHBondContact O-CB 3.48Å; P274-Y277 PolarHBondContact O-N 3.33Å; P274-Y277 VanDerWaalsContact O-N 3.11Å; Y277-M280 HydrophobicContact CD1-CE 3.56Å; Y277-M280 HydrophobicContact CE1-CE 3.95Å; Y277-M280 PolarHBondContact O-N 2.88Å; Y277-N281 WeakPolarHBondContact O-CB 3.35Å; Y277-N281 PolarHBondContact O-N 3.46Å; Y277-N281 PolarHBondContact O-ND2 3.48Å; Y277-N281 PolarHBondContact O-OD1 3.23Å |
| 278 | H | 78.8 | Confident | 76.3 | Confident | 98 Ų | 98 | 78.9 Ų | 78.9 | 45% | 0.454 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 178 | -168.1 | -36.1 | 0 | 0 | 0 | 111.6 | P4 R275 R276 M280 N281 I282 | P4-H278 WeakPolarHBondContact CB-CE1 3.41Å; R275-H278 WeakPolarHBondContact O-CB 3.28Å; R275-H278 PolarHBondContact O-N 2.97Å; R276-H278 PolarHBondContact O-N 3.11Å; H278-M280 VanDerWaalsContact C-N 3.35Å; H278-N281 PolarHBondContact O-N 2.93Å; H278-I282 VanDerWaalsContact CE1-CD1 3.47Å; H278-I282 WeakPolarHBondContact CE1-CD1 3.5Å; H278-I282 VanDerWaalsContact ND1-CD1 3.34Å; H278-I282 WeakPolarHBondContact ND1-CD1 3.31Å; H278-I282 WeakPolarHBondContact O-CG1 3.5Å; H278-I282 PolarHBondContact O-N 3.45Å |
| 279 | A | 82.2 | Confident | 76.8 | Confident | 62 Ų | 62 | 76.7 Ų | 76.7 | 51% | 0.512 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R276 I282 A283 | R276-A279 PolarHBondContact O-N 3.06Å; A279-I282 PolarHBondContact O-N 3.41Å; A279-A283 PolarHBondContact O-N 3.28Å |
| 280 | M | 80.4 | Confident | 77.5 | Confident | 21 Ų | 21 | 73.5 Ų | 73.5 | 10% | 0.103 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 176.6 | -175.4 | 179 | 69.9 | 0 | 0 | 112.3 | I259 H263 R276 Y277 H278 I282 A283 L284 | I259-M280 HydrophobicContact CG2-CG 4.24Å; H263-M280 HydrophobicContact CB-SD 3.68Å; H263-M280 WeakPolarHBondContact CD2-CE 3.35Å; H263-M280 PolarHBondContact CD2-SD 3.22Å; R276-M280 WeakPolarHBondContact O-CB 3.46Å; R276-M280 PolarHBondContact O-N 2.83Å; Y277-M280 HydrophobicContact CD1-CE 3.56Å; Y277-M280 HydrophobicContact CE1-CE 3.95Å; Y277-M280 PolarHBondContact O-N 2.88Å; H278-M280 VanDerWaalsContact C-N 3.35Å; M280-I282 VanDerWaalsContact C-N 3.35Å; M280-I282 PolarHBondContact O-N 3.41Å; M280-A283 WeakPolarHBondContact O-CB 3.49Å; M280-A283 PolarHBondContact O-N 3.15Å; M280-L284 WeakPolarHBondContact O-CG 3.07Å; M280-L284 PolarHBondContact O-N 3.18Å |
| 281 | N | 83.7 | Confident | 78.5 | Confident | 14 Ų | 14 | 66.2 Ų | 66.2 | 8% | 0.075 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 176.2 | -69 | -15.4 | 0 | 0 | 0 | 111.4 | Y277 H278 A283 L284 I285 | Y277-N281 WeakPolarHBondContact O-CB 3.35Å; Y277-N281 PolarHBondContact O-N 3.46Å; Y277-N281 PolarHBondContact O-ND2 3.48Å; Y277-N281 PolarHBondContact O-OD1 3.23Å; H278-N281 PolarHBondContact O-N 2.93Å; N281-A283 VanDerWaalsContact C-N 3.35Å; N281-L284 PolarHBondContact O-N 2.75Å; N281-I285 VanDerWaalsContact O-CG1 3.29Å; N281-I285 WeakPolarHBondContact O-CG1 3.23Å; N281-I285 PolarHBondContact O-N 3.42Å; N281-I285 VanDerWaalsContact O-N 3.08Å |
| 282 | I | 87.1 | Confident | 80 | Confident | 47 Ų | 47 | 61 Ų | 61 | 24% | 0.241 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 172.5 | -68.8 | 168.9 | 0 | 0 | 0 | 110.2 | P4 V7 H278 A279 M280 L284 I285 L286 | P4-I282 HydrophobicContact CG-CG1 3.88Å; V7-I282 HydrophobicContact CG1-CG2 4.37Å; V7-I282 HydrophobicContact CG2-CD1 4.33Å; V7-I282 HydrophobicContact CG2-CG1 4.2Å; H278-I282 VanDerWaalsContact CE1-CD1 3.47Å; H278-I282 WeakPolarHBondContact CE1-CD1 3.5Å; H278-I282 VanDerWaalsContact ND1-CD1 3.34Å; H278-I282 WeakPolarHBondContact ND1-CD1 3.31Å; H278-I282 WeakPolarHBondContact O-CG1 3.5Å; H278-I282 PolarHBondContact O-N 3.45Å; A279-I282 PolarHBondContact O-N 3.41Å; M280-I282 VanDerWaalsContact C-N 3.35Å; M280-I282 PolarHBondContact O-N 3.41Å; I282-L284 VanDerWaalsContact C-N 3.29Å; I282-L284 PolarHBondContact O-N 2.94Å; I282-I285 WeakPolarHBondContact O-CB 3.29Å; I282-I285 PolarHBondContact O-N 2.88Å; I282-I285 VanDerWaalsContact O-N 3.13Å; I282-L286 HydrophobicContact CG2-CD1 3.95Å; I282-L286 HydrophobicContact CG2-CG 4.29Å; I282-L286 WeakPolarHBondContact O-CG 3.39Å; I282-L286 PolarHBondContact O-N 3.37Å |
| 283 | A | 87.5 | Confident | 81.7 | Confident | 32 Ų | 32 | 61.3 Ų | 61.3 | 26% | 0.264 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.2 | -38.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I259 A279 M280 N281 L286 R287 | I259-A283 HydrophobicContact CD1-CB 3.83Å; I259-A283 HydrophobicContact CG1-CB 4.05Å; A279-A283 PolarHBondContact O-N 3.28Å; M280-A283 WeakPolarHBondContact O-CB 3.49Å; M280-A283 PolarHBondContact O-N 3.15Å; N281-A283 VanDerWaalsContact C-N 3.35Å; A283-L286 PolarHBondContact O-N 2.9Å; A283-R287 VanDerWaalsContact O-CB 3.29Å; A283-R287 WeakPolarHBondContact O-CB 3.19Å; A283-R287 PolarHBondContact O-N 3.06Å |
| 284 | L | 86 | Confident | 83.2 | Confident | 36 Ų | 36 | 61 Ų | 61 | 19% | 0.188 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 174.3 | -74.5 | 170.8 | 0 | 0 | 0 | 112.5 | I259 M280 N281 I282 R287 N288 | I259-L284 HydrophobicContact CG2-CD2 3.55Å; I259-L284 HydrophobicContact CG2-CG 3.83Å; M280-L284 WeakPolarHBondContact O-CG 3.07Å; M280-L284 PolarHBondContact O-N 3.18Å; N281-L284 PolarHBondContact O-N 2.75Å; I282-L284 VanDerWaalsContact C-N 3.29Å; I282-L284 PolarHBondContact O-N 2.94Å; L284-R287 PolarHBondContact O-N 2.87Å; L284-N288 PolarHBondContact O-N 2.87Å |
| 285 | I | 88.3 | Confident | 84.6 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.1 | -50.5 | 175.3 | -63.4 | 164.3 | 0 | 0 | 0 | 109.9 | V3 P4 V7 A8 C11 Y12 N281 I282 R287 N288 V289 | V3-I285 HydrophobicContact CG1-CD1 3.77Å; V3-I285 HydrophobicContact CG1-CG1 4.41Å; P4-I285 HydrophobicContact CG-CD1 4.16Å; V7-I285 HydrophobicContact CG1-CD1 4.44Å; V7-I285 HydrophobicContact CG1-CG2 4.44Å; A8-I285 HydrophobicContact CB-CD1 4.17Å; C11-I285 HydrophobicContact CB-CG2 3.6Å; Y12-I285 HydrophobicContact CE1-CG2 4.33Å; Y12-I285 HydrophobicContact CE2-CB 4.44Å; Y12-I285 HydrophobicContact CE2-CD1 4.43Å; Y12-I285 HydrophobicContact CE2-CG1 3.8Å; Y12-I285 HydrophobicContact CE2-CG2 4.06Å; N281-I285 VanDerWaalsContact O-CG1 3.29Å; N281-I285 WeakPolarHBondContact O-CG1 3.23Å; N281-I285 PolarHBondContact O-N 3.42Å; N281-I285 VanDerWaalsContact O-N 3.08Å; I282-I285 WeakPolarHBondContact O-CB 3.29Å; I282-I285 PolarHBondContact O-N 2.88Å; I282-I285 VanDerWaalsContact O-N 3.13Å; I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 3.29Å; I285-N288 PolarHBondContact O-N 3.44Å; I285-N288 VanDerWaalsContact O-N 3.14Å; I285-V289 WeakPolarHBondContact O-CG2 3.43Å; I285-V289 PolarHBondContact O-N 3.3Å |
| 286 | L | 90.1 | Very high | 86.1 | Confident | 96 Ų | 96 | 46.8 Ų | 46.8 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.6 | -40.1 | 179 | -66.8 | 176.1 | 0 | 0 | 0 | 111.8 | I282 A283 N288 V289 L290 | I282-L286 HydrophobicContact CG2-CD1 3.95Å; I282-L286 HydrophobicContact CG2-CG 4.29Å; I282-L286 WeakPolarHBondContact O-CG 3.39Å; I282-L286 PolarHBondContact O-N 3.37Å; A283-L286 PolarHBondContact O-N 2.9Å; L286-N288 PolarHBondContact O-N 2.84Å; L286-V289 PolarHBondContact O-N 3.3Å; L286-L290 WeakPolarHBondContact O-CB 3.31Å; L286-L290 PolarHBondContact O-N 2.93Å |
| 287 | R | 90 | Very high | 87.1 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 10% | 0.102 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 174.5 | 176.4 | -93.2 | -176.1 | -153.6 | -10.6 | 112 | H102 E253 A256 I259 A283 L284 I285 L290 I291 | H102-R287 PolarHBondContact NE2-NH2 3.45Å; E253-R287 IonicContact OE2-NH2 3.35Å; A256-R287 HydrophobicContact CB-CG 4.16Å; I259-R287 HydrophobicContact CD1-CB 3.98Å; I259-R287 HydrophobicContact CD1-CG 4.42Å; A283-R287 VanDerWaalsContact O-CB 3.29Å; A283-R287 WeakPolarHBondContact O-CB 3.19Å; A283-R287 PolarHBondContact O-N 3.06Å; L284-R287 PolarHBondContact O-N 2.87Å; I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 3.29Å; R287-L290 WeakPolarHBondContact O-CB 3.37Å; R287-L290 PolarHBondContact O-N 2.52Å; R287-I291 HydrophobicContact CG-CD1 4.12Å; R287-I291 VanDerWaalsContact NH1-CD1 3.29Å; R287-I291 PolarHBondContact O-N 3.07Å; R287-I291 VanDerWaalsContact O-N 3.07Å |
| 288 | N | 90 | Very high | 87.7 | Confident | 51 Ų | 51 | 40.1 Ų | 40.1 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.2 | -42 | 178.3 | -71.8 | -14.3 | 0 | 0 | 0 | 111.4 | Y12 L284 I285 L286 L290 V292 | Y12-N288 HydrophobicContact CE1-CB 4.4Å; Y12-N288 PolarHBondContact OH-ND2 3Å; L284-N288 PolarHBondContact O-N 2.87Å; I285-N288 PolarHBondContact O-N 3.44Å; I285-N288 VanDerWaalsContact O-N 3.14Å; L286-N288 PolarHBondContact O-N 2.84Å; N288-L290 VanDerWaalsContact C-N 3.35Å; N288-V292 WeakPolarHBondContact O-CG2 3.38Å; N288-V292 PolarHBondContact O-N 3.41Å |
| 289 | V | 90.6 | Very high | 88.3 | Confident | 22 Ų | 22 | 36.4 Ų | 36.4 | 13% | 0.133 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -46 | 173 | 177.9 | 0 | 0 | 0 | 0 | 111 | C11 I15 I16 I285 L286 I291 V292 A293 | C11-V289 HydrophobicContact CB-CG2 3.85Å; I15-V289 HydrophobicContact CG2-CG1 3.91Å; I16-V289 HydrophobicContact CD1-CB 4.35Å; I16-V289 HydrophobicContact CD1-CG2 3.94Å; I16-V289 HydrophobicContact CG1-CG2 3.93Å; I285-V289 WeakPolarHBondContact O-CG2 3.43Å; I285-V289 PolarHBondContact O-N 3.3Å; L286-V289 PolarHBondContact O-N 3.3Å; V289-I291 PolarHBondContact O-N 2.93Å; V289-V292 PolarHBondContact O-N 3.26Å; V289-A293 WeakPolarHBondContact O-CB 3.39Å; V289-A293 PolarHBondContact O-N 2.76Å |
| 290 | L | 91.1 | Very high | 88.6 | Confident | 55 Ų | 55 | 37 Ų | 37 | 29% | 0.288 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -57.5 | -48.2 | -179 | -169.5 | 73.8 | 0 | 0 | 0 | 111.9 | T252 P255 L286 R287 N288 V292 A293 F294 | T252-L290 HydrophobicContact CG2-CG 4.47Å; P255-L290 HydrophobicContact CG-CD2 4.46Å; L286-L290 WeakPolarHBondContact O-CB 3.31Å; L286-L290 PolarHBondContact O-N 2.93Å; R287-L290 WeakPolarHBondContact O-CB 3.37Å; R287-L290 PolarHBondContact O-N 2.52Å; N288-L290 VanDerWaalsContact C-N 3.35Å; L290-V292 PolarHBondContact O-N 2.78Å; L290-A293 PolarHBondContact O-N 3.28Å; L290-F294 HydrophobicContact CD1-CD2 3.62Å; L290-F294 HydrophobicContact CD1-CE2 3.22Å; L290-F294 HydrophobicContact CD1-CZ 4.21Å; L290-F294 HydrophobicContact CG-CD2 3.89Å; L290-F294 HydrophobicContact CG-CE2 3.97Å; L290-F294 VanDerWaalsContact O-CD2 3.23Å; L290-F294 WeakPolarHBondContact O-CD2 3.49Å; L290-F294 PolarHBondContact O-N 2.86Å |
| 291 | I | 90.4 | Very high | 88.9 | Confident | 19 Ų | 19 | 36.8 Ų | 36.8 | 10% | 0.097 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.2 | -45.5 | -176.9 | -76.1 | 162 | 0 | 0 | 0 | 111.9 | R287 V289 A293 C295 | R287-I291 HydrophobicContact CG-CD1 4.12Å; R287-I291 VanDerWaalsContact NH1-CD1 3.29Å; R287-I291 PolarHBondContact O-N 3.07Å; R287-I291 VanDerWaalsContact O-N 3.07Å; V289-I291 PolarHBondContact O-N 2.93Å; I291-A293 VanDerWaalsContact C-N 3.31Å; I291-C295 PolarHBondContact O-N 2.94Å |
| 292 | V | 89.9 | Confident | 89.1 | Confident | 17 Ų | 17 | 37.4 Ų | 37.4 | 10% | 0.103 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.5 | -35 | 178.9 | -168.6 | 0 | 0 | 0 | 0 | 110.1 | I16 V19 V20 T23 N288 V289 L290 C295 P296 | I16-V292 HydrophobicContact CD1-CB 4.37Å; I16-V292 HydrophobicContact CD1-CG2 4.25Å; V19-V292 HydrophobicContact CB-CG1 4.46Å; V19-V292 VanDerWaalsContact CG1-C 3.44Å; V19-V292 HydrophobicContact CG1-CB 4.01Å; V19-V292 HydrophobicContact CG1-CG1 3.68Å; V19-V292 WeakPolarHBondContact CG1-O 3.32Å; V20-V292 HydrophobicContact CB-CG1 4.44Å; V20-V292 HydrophobicContact CG2-CG1 3.65Å; T23-V292 PolarHBondContact OG1-O 3.21Å; N288-V292 WeakPolarHBondContact O-CG2 3.38Å; N288-V292 PolarHBondContact O-N 3.41Å; V289-V292 PolarHBondContact O-N 3.26Å; L290-V292 PolarHBondContact O-N 2.78Å; V292-C295 PolarHBondContact O-N 3.17Å; V292-P296 WeakPolarHBondContact O-CD 3.34Å |
| 293 | A | 89.4 | Confident | 89.2 | Confident | 42 Ų | 42 | 37.9 Ų | 37.9 | 35% | 0.347 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.9 | -32.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V19 V289 L290 I291 P296 | V19-A293 VanDerWaalsContact CG1-CA 3.45Å; V19-A293 HydrophobicContact CG1-CB 4.09Å; V289-A293 WeakPolarHBondContact O-CB 3.39Å; V289-A293 PolarHBondContact O-N 2.76Å; L290-A293 PolarHBondContact O-N 3.28Å; I291-A293 VanDerWaalsContact C-N 3.31Å; A293-P296 WeakPolarHBondContact O-CD 3.34Å |
| 294 | F | 90.5 | Very high | 89.1 | Confident | 73 Ų | 73 | 42.7 Ų | 42.7 | 32% | 0.32 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -84 | -18.8 | 178.1 | -85.5 | -101.7 | 0 | 0 | 0 | 113 | I248 T252 L290 L297 | I248-F294 HydrophobicContact CG2-CD1 4Å; T252-F294 HydrophobicContact CG2-CB 3.55Å; T252-F294 HydrophobicContact CG2-CD1 3.9Å; T252-F294 HydrophobicContact CG2-CD2 4.06Å; T252-F294 HydrophobicContact CG2-CG 3.54Å; L290-F294 HydrophobicContact CD1-CD2 3.62Å; L290-F294 HydrophobicContact CD1-CE2 3.22Å; L290-F294 HydrophobicContact CD1-CZ 4.21Å; L290-F294 HydrophobicContact CG-CD2 3.89Å; L290-F294 HydrophobicContact CG-CE2 3.97Å; L290-F294 VanDerWaalsContact O-CD2 3.23Å; L290-F294 WeakPolarHBondContact O-CD2 3.49Å; L290-F294 PolarHBondContact O-N 2.86Å; F294-L297 HydrophobicContact CB-CD1 4.49Å; F294-L297 HydrophobicContact CD1-CD1 3.57Å; F294-L297 HydrophobicContact CE1-CD1 4.02Å; F294-L297 HydrophobicContact CG-CD1 4.19Å; F294-L297 VanDerWaalsContact O-CB 3.27Å; F294-L297 WeakPolarHBondContact O-CB 3.12Å; F294-L297 PolarHBondContact O-N 3.14Å; F294-L297 VanDerWaalsContact O-N 3.13Å |
| 295 | C | 89.9 | Confident | 88.7 | Confident | 15 Ų | 15 | 43 Ų | 43 | 10% | 0.101 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -43.6 | -179.3 | -175.1 | 0 | 0 | 0 | 0 | 114.3 | T23 N27 I291 V292 L297 N298 | T23-C295 HydrophobicContact CG2-CB 4.01Å; T23-C295 VanDerWaalsContact CG2-SG 3.58Å; N27-C295 PolarHBondContact ND2-SG 2.81Å; I291-C295 PolarHBondContact O-N 2.94Å; V292-C295 PolarHBondContact O-N 3.17Å; C295-L297 PolarHBondContact O-N 3.26Å; C295-L297 VanDerWaalsContact O-N 3.11Å; C295-N298 VanDerWaalsContact O-CB 3.27Å; C295-N298 WeakPolarHBondContact O-CB 3.47Å; C295-N298 PolarHBondContact O-N 3.25Å |
| 296 | P | 90 | Very high | 88.4 | Confident | 18 Ų | 18 | 45 Ų | 45 | 12% | 0.117 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25 | 175.5 | -27.3 | 35.1 | 0 | 0 | 0 | 114.8 | V22 T23 T26 V292 A293 N298 L299 | V22-P296 HydrophobicContact CB-CG 4.46Å; V22-P296 HydrophobicContact CG1-CB 3.93Å; V22-P296 HydrophobicContact CG1-CG 3.79Å; T23-P296 WeakPolarHBondContact OG1-CD 3.48Å; T23-P296 WeakPolarHBondContact OG1-CG 3.49Å; T26-P296 HydrophobicContact CG2-CB 4.1Å; V292-P296 WeakPolarHBondContact O-CD 3.34Å; A293-P296 WeakPolarHBondContact O-CD 3.34Å; P296-N298 PolarHBondContact O-N 3.46Å; P296-L299 PolarHBondContact O-N 2.98Å; P296-L299 VanDerWaalsContact O-N 3.1Å |
| 297 | L | 89 | Confident | 88.2 | Confident | 65 Ų | 65 | 44.7 Ų | 44.7 | 34% | 0.34 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.8 | -21.4 | 178.7 | -60.4 | 176.3 | 0 | 0 | 0 | 112 | F294 C295 L299 V300 V301 | F294-L297 HydrophobicContact CB-CD1 4.49Å; F294-L297 HydrophobicContact CD1-CD1 3.57Å; F294-L297 HydrophobicContact CE1-CD1 4.02Å; F294-L297 HydrophobicContact CG-CD1 4.19Å; F294-L297 VanDerWaalsContact O-CB 3.27Å; F294-L297 WeakPolarHBondContact O-CB 3.12Å; F294-L297 PolarHBondContact O-N 3.14Å; F294-L297 VanDerWaalsContact O-N 3.13Å; C295-L297 PolarHBondContact O-N 3.26Å; C295-L297 VanDerWaalsContact O-N 3.11Å; L297-L299 PolarHBondContact O-N 3.12Å; L297-V300 WeakPolarHBondContact O-CB 3.32Å; L297-V300 PolarHBondContact O-N 3.42Å; L297-V300 VanDerWaalsContact O-N 3.14Å; L297-V301 WeakPolarHBondContact O-CB 3.47Å; L297-V301 VanDerWaalsContact O-CG2 3.26Å; L297-V301 WeakPolarHBondContact O-CG2 3.17Å; L297-V301 PolarHBondContact O-N 3.27Å |
| 298 | N | 87.8 | Confident | 88 | Confident | 29 Ų | 29 | 51.6 Ų | 51.6 | 16% | 0.155 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.3 | -40.4 | 172.6 | -74 | -14.8 | 0 | 0 | 0 | 111.5 | I30 E54 C295 P296 V301 Y302 | I30-N298 HydrophobicContact CD1-CB 4.35Å; E54-N298 PolarHBondContact OE1-ND2 3.15Å; E54-N298 PolarHBondContact OE2-ND2 2.93Å; C295-N298 VanDerWaalsContact O-CB 3.27Å; C295-N298 WeakPolarHBondContact O-CB 3.47Å; C295-N298 PolarHBondContact O-N 3.25Å; P296-N298 PolarHBondContact O-N 3.46Å; N298-V301 WeakPolarHBondContact O-CB 3.25Å; N298-V301 PolarHBondContact O-N 3.46Å; N298-Y302 HydrophobicContact CB-CD2 4.47Å; N298-Y302 HydrophobicContact CB-CE2 3.95Å; N298-Y302 WeakPolarHBondContact O-CD2 3.42Å; N298-Y302 WeakPolarHBondContact O-CE2 3.36Å; N298-Y302 PolarHBondContact O-N 3.26Å |
| 299 | L | 90.3 | Very high | 87.9 | Confident | 21 Ų | 21 | 49.3 Ų | 49.3 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -47 | 177.4 | 174.4 | 63.8 | 0 | 0 | 0 | 111.7 | T26 L29 I30 P296 L297 V301 Y302 L303 F309 | T26-L299 HydrophobicContact CG2-CB 4.46Å; T26-L299 HydrophobicContact CG2-CD2 3.77Å; L29-L299 HydrophobicContact CD2-CD1 4.03Å; L29-L299 HydrophobicContact CD2-CD2 3.87Å; L29-L299 HydrophobicContact CG-CD1 4.45Å; I30-L299 HydrophobicContact CD1-CB 3.92Å; I30-L299 HydrophobicContact CG1-CB 4.18Å; I30-L299 HydrophobicContact CG1-CD1 3.84Å; P296-L299 PolarHBondContact O-N 2.98Å; P296-L299 VanDerWaalsContact O-N 3.1Å; L297-L299 PolarHBondContact O-N 3.12Å; L299-V301 VanDerWaalsContact C-N 3.25Å; L299-V301 PolarHBondContact O-N 2.95Å; L299-Y302 PolarHBondContact O-N 3.34Å; L299-Y302 VanDerWaalsContact O-N 3.14Å; L299-L303 HydrophobicContact CD1-CD1 4.14Å; L299-L303 HydrophobicContact CD1-CG 4.2Å; L299-L303 HydrophobicContact CG-CD1 4.04Å; L299-L303 WeakPolarHBondContact O-CG 3.32Å; L299-L303 PolarHBondContact O-N 3.32Å; L299-F309 HydrophobicContact CD1-CE1 3.97Å; L299-F309 HydrophobicContact CD1-CZ 4Å |
| 300 | V | 88.7 | Confident | 88 | Confident | 75 Ų | 75 | 54.3 Ų | 54.3 | 46% | 0.455 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.2 | -46.6 | 178.2 | 179.2 | 0 | 0 | 0 | 0 | 109.5 | L297 L303 L304 | L297-V300 WeakPolarHBondContact O-CB 3.32Å; L297-V300 PolarHBondContact O-N 3.42Å; L297-V300 VanDerWaalsContact O-N 3.14Å; V300-L303 PolarHBondContact O-N 3.12Å; V300-L304 HydrophobicContact CG1-CD1 3.98Å; V300-L304 HydrophobicContact CG1-CG 4.44Å; V300-L304 VanDerWaalsContact O-CG 3.3Å; V300-L304 WeakPolarHBondContact O-CG 3.49Å; V300-L304 PolarHBondContact O-N 2.71Å |
| 301 | V | 87.1 | Confident | 88 | Confident | 16 Ų | 16 | 55.6 Ų | 55.6 | 10% | 0.097 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.5 | -51.1 | 174.6 | 163.7 | 0 | 0 | 0 | 0 | 110.5 | I245 I248 L297 N298 L299 L303 L304 M305 | I245-V301 HydrophobicContact CD1-CG1 4.02Å; I245-V301 HydrophobicContact CG1-CG1 3.69Å; I248-V301 HydrophobicContact CD1-CG2 4.16Å; L297-V301 WeakPolarHBondContact O-CB 3.47Å; L297-V301 VanDerWaalsContact O-CG2 3.26Å; L297-V301 WeakPolarHBondContact O-CG2 3.17Å; L297-V301 PolarHBondContact O-N 3.27Å; N298-V301 WeakPolarHBondContact O-CB 3.25Å; N298-V301 PolarHBondContact O-N 3.46Å; L299-V301 VanDerWaalsContact C-N 3.25Å; L299-V301 PolarHBondContact O-N 2.95Å; V301-L303 VanDerWaalsContact C-N 3.32Å; V301-L303 PolarHBondContact O-N 3.02Å; V301-L304 PolarHBondContact O-N 3.17Å; V301-M305 HydrophobicContact CB-CE 4.43Å; V301-M305 HydrophobicContact CB-SD 4.48Å; V301-M305 HydrophobicContact CG1-CE 3.23Å; V301-M305 HydrophobicContact CG1-SD 3.42Å; V301-M305 WeakPolarHBondContact CG1-SD 3.21Å; V301-M305 WeakPolarHBondContact O-CB 3.11Å; V301-M305 WeakPolarHBondContact O-CE 3.48Å; V301-M305 WeakPolarHBondContact O-CG 3.48Å; V301-M305 PolarHBondContact O-N 3.28Å; V301-M305 VanDerWaalsContact O-N 3.11Å |
| 302 | Y | 87.1 | Confident | 88 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 10% | 0.102 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 177.7 | -67.9 | -55 | 0 | 0 | 0 | 113.7 | I30 L47 N298 L299 M305 S306 | I30-Y302 HydrophobicContact CD1-CD2 3.8Å; I30-Y302 HydrophobicContact CD1-CE2 3.87Å; I30-Y302 HydrophobicContact CG1-CD2 3.96Å; I30-Y302 HydrophobicContact CG1-CE2 4.34Å; I30-Y302 HydrophobicContact CG2-CD2 4.2Å; I30-Y302 HydrophobicContact CG2-CE2 4.07Å; L47-Y302 HydrophobicContact CD1-CE1 4.07Å; L47-Y302 HydrophobicContact CD2-CE1 3.92Å; L47-Y302 WeakPolarHBondContact CD2-OH 3.13Å; N298-Y302 HydrophobicContact CB-CD2 4.47Å; N298-Y302 HydrophobicContact CB-CE2 3.95Å; N298-Y302 WeakPolarHBondContact O-CD2 3.42Å; N298-Y302 WeakPolarHBondContact O-CE2 3.36Å; N298-Y302 PolarHBondContact O-N 3.26Å; L299-Y302 PolarHBondContact O-N 3.34Å; L299-Y302 VanDerWaalsContact O-N 3.14Å; Y302-M305 HydrophobicContact CD1-CE 4.38Å; Y302-M305 PolarHBondContact O-N 3.34Å; Y302-S306 PolarHBondContact O-N 3.19Å |
| 303 | L | 89.1 | Confident | 88 | Confident | 58 Ų | 58 | 54.6 Ų | 54.6 | 30% | 0.304 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.1 | -45 | 177.3 | -71.8 | 169.5 | 0 | 0 | 0 | 111.8 | L299 V300 V301 M305 F309 R310 | L299-L303 HydrophobicContact CD1-CD1 4.14Å; L299-L303 HydrophobicContact CD1-CG 4.2Å; L299-L303 HydrophobicContact CG-CD1 4.04Å; L299-L303 WeakPolarHBondContact O-CG 3.32Å; L299-L303 PolarHBondContact O-N 3.32Å; V300-L303 PolarHBondContact O-N 3.12Å; V301-L303 VanDerWaalsContact C-N 3.32Å; V301-L303 PolarHBondContact O-N 3.02Å; L303-M305 PolarHBondContact O-N 3.49Å; L303-F309 HydrophobicContact CD2-CD1 3.95Å; L303-F309 HydrophobicContact CD2-CE1 3.83Å; L303-F309 HydrophobicContact CG-CD1 4.41Å; L303-F309 HydrophobicContact CG-CE1 4.1Å; L303-R310 HydrophobicContact CD2-CG 4.35Å; L303-R310 WeakPolarHBondContact O-CD 3.31Å; L303-R310 WeakPolarHBondContact O-CG 3.17Å |
| 304 | L | 85 | Confident | 88.2 | Confident | 133 Ų | 133 | 59.3 Ų | 59.3 | 70% | 0.696 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.7 | -32.4 | 179.3 | -69.8 | 173.7 | 0 | 0 | 0 | 112.2 | V300 V301 | V300-L304 HydrophobicContact CG1-CD1 3.98Å; V300-L304 HydrophobicContact CG1-CG 4.44Å; V300-L304 VanDerWaalsContact O-CG 3.3Å; V300-L304 WeakPolarHBondContact O-CG 3.49Å; V300-L304 PolarHBondContact O-N 2.71Å; V301-L304 PolarHBondContact O-N 3.17Å |
| 305 | M | 78.4 | Confident | 88.2 | Confident | 43 Ų | 43 | 60.9 Ų | 60.9 | 21% | 0.212 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -97.7 | -39.7 | -163.4 | -67.8 | -172.7 | -29.3 | 0 | 0 | 114.8 | M241 I245 V301 Y302 L303 | M241-M305 HydrophobicContact CE-CB 3.42Å; M241-M305 VanDerWaalsContact CE-CB 3.42Å; M241-M305 HydrophobicContact CE-CE 3.74Å; M241-M305 HydrophobicContact CE-CG 3.56Å; M241-M305 HydrophobicContact CE-SD 3.34Å; M241-M305 WeakPolarHBondContact CE-SD 3.26Å; M241-M305 HydrophobicContact CG-CB 4.21Å; M241-M305 HydrophobicContact CG-CG 3.32Å; M241-M305 HydrophobicContact CG-SD 3.09Å; M241-M305 WeakPolarHBondContact CG-SD 3.25Å; M241-M305 HydrophobicContact SD-CB 3.37Å; M241-M305 WeakPolarHBondContact SD-CB 3.36Å; M241-M305 HydrophobicContact SD-CG 3.17Å; M241-M305 WeakPolarHBondContact SD-CG 3.42Å; M241-M305 HydrophobicContact SD-SD 3.55Å; I245-M305 HydrophobicContact CD1-CE 3.47Å; I245-M305 VanDerWaalsContact CD1-CE 3.47Å; I245-M305 HydrophobicContact CD1-SD 3.52Å; I245-M305 VanDerWaalsContact CD1-SD 3.52Å; I245-M305 HydrophobicContact CG1-CE 4.27Å; I245-M305 HydrophobicContact CG1-SD 3.88Å; V301-M305 HydrophobicContact CB-CE 4.43Å; V301-M305 HydrophobicContact CB-SD 4.48Å; V301-M305 HydrophobicContact CG1-CE 3.23Å; V301-M305 HydrophobicContact CG1-SD 3.42Å; V301-M305 WeakPolarHBondContact CG1-SD 3.21Å; V301-M305 WeakPolarHBondContact O-CB 3.11Å; V301-M305 WeakPolarHBondContact O-CE 3.48Å; V301-M305 WeakPolarHBondContact O-CG 3.48Å; V301-M305 PolarHBondContact O-N 3.28Å; V301-M305 VanDerWaalsContact O-N 3.11Å; Y302-M305 HydrophobicContact CD1-CE 4.38Å; Y302-M305 PolarHBondContact O-N 3.34Å; L303-M305 PolarHBondContact O-N 3.49Å |
| 306 | S | 82.1 | Confident | 88.1 | Confident | 44 Ų | 44 | 62.2 Ų | 62.2 | 31% | 0.308 | 29% | 0.293 | S | S | . | . | trans | -108.5 | 104.1 | -169.8 | 178 | 0 | 0 | 0 | 0 | 110.8 | Y302 R308 F309 R310 | Y302-S306 PolarHBondContact O-N 3.19Å; S306-R308 PolarHBondContact O-N 2.91Å; S306-F309 VanDerWaalsContact CB-CB 3.48Å; S306-F309 PolarHBondContact O-N 2.94Å; S306-F309 VanDerWaalsContact O-N 3.12Å; S306-F309 WeakPolarHBondContact OG-CB 3.42Å; S306-F309 PolarHBondContact OG-N 3.11Å; S306-F309 VanDerWaalsContact OG-N 3.08Å; S306-R310 PolarHBondContact O-N 3.28Å | ||
| 307 | E | 85.6 | Confident | 88.1 | Confident | 90 Ų | 90 | 65 Ų | 65 | 42% | 0.421 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.5 | -35.4 | 172.7 | -167.1 | -164.6 | 156.3 | 0 | 0 | 111.5 | K311 K353 | E307-K311 WeakPolarHBondContact O-CG 3.48Å; E307-K311 PolarHBondContact O-N 3.42Å; E307-K311 WeakPolarHBondContact OE1-CE 3.48Å; E307-K311 IonicContact OE1-NZ 3.56Å; E307-K311 PolarHBondContact OE1-NZ 2.87Å; E307-K353 IonicContact OE1-NZ 3.25Å; E307-K353 PolarHBondContact OE1-NZ 3.47Å; E307-K353 VanDerWaalsContact OE1-NZ 3.12Å |
| 308 | R | 86.4 | Confident | 88.2 | Confident | 171 Ų | 171 | 64.8 Ų | 64.8 | 65% | 0.645 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -68.2 | -45 | 177.1 | -61.5 | -173.8 | -178.2 | -175.8 | -0.6 | 111.5 | L39 S306 R310 K311 V312 | L39-R308 HydrophobicContact CD2-CB 3.8Å; S306-R308 PolarHBondContact O-N 2.91Å; R308-R310 VanDerWaalsContact C-N 3.34Å; R308-R310 PolarHBondContact O-N 2.98Å; R308-K311 PolarHBondContact O-N 3.31Å; R308-V312 WeakPolarHBondContact O-CG2 3.32Å; R308-V312 PolarHBondContact O-N 3.47Å; R308-V312 VanDerWaalsContact O-N 3.13Å |
| 309 | F | 88.4 | Confident | 88.2 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 1% | 0.013 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.2 | -45 | 175.6 | -173 | -87.3 | 0 | 0 | 0 | 111 | I30 V33 L34 L299 L303 S306 K311 V312 S313 | I30-F309 HydrophobicContact CG1-CZ 4.3Å; V33-F309 HydrophobicContact CB-CD2 4.22Å; V33-F309 HydrophobicContact CB-CE2 3.63Å; V33-F309 HydrophobicContact CB-CZ 3.9Å; V33-F309 HydrophobicContact CG1-CD1 4.34Å; V33-F309 HydrophobicContact CG1-CD2 3.39Å; V33-F309 HydrophobicContact CG1-CE1 4.28Å; V33-F309 HydrophobicContact CG1-CE2 3.33Å; V33-F309 HydrophobicContact CG1-CG 3.91Å; V33-F309 HydrophobicContact CG1-CZ 3.8Å; V33-F309 HydrophobicContact CG2-CE2 4.39Å; V33-F309 HydrophobicContact CG2-CZ 4.16Å; L34-F309 HydrophobicContact CD2-CD2 4.13Å; L34-F309 HydrophobicContact CD2-CE2 4.33Å; L34-F309 HydrophobicContact CG-CE2 4.21Å; L299-F309 HydrophobicContact CD1-CE1 3.97Å; L299-F309 HydrophobicContact CD1-CZ 4Å; L303-F309 HydrophobicContact CD2-CD1 3.95Å; L303-F309 HydrophobicContact CD2-CE1 3.83Å; L303-F309 HydrophobicContact CG-CD1 4.41Å; L303-F309 HydrophobicContact CG-CE1 4.1Å; S306-F309 VanDerWaalsContact CB-CB 3.48Å; S306-F309 PolarHBondContact O-N 2.94Å; S306-F309 VanDerWaalsContact O-N 3.12Å; S306-F309 WeakPolarHBondContact OG-CB 3.42Å; S306-F309 PolarHBondContact OG-N 3.11Å; S306-F309 VanDerWaalsContact OG-N 3.08Å; F309-K311 PolarHBondContact O-N 2.87Å; F309-V312 PolarHBondContact O-N 3.27Å; F309-S313 WeakPolarHBondContact O-CB 3.1Å; F309-S313 PolarHBondContact O-N 2.87Å |
| 310 | R | 91 | Very high | 88 | Confident | 128 Ų | 128 | 71 Ų | 71 | 48% | 0.483 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.7 | -42.7 | 176.3 | -75.1 | -169.5 | -70.8 | 178.3 | 6 | 113.4 | L303 S306 R308 R314 | L303-R310 HydrophobicContact CD2-CG 4.35Å; L303-R310 WeakPolarHBondContact O-CD 3.31Å; L303-R310 WeakPolarHBondContact O-CG 3.17Å; S306-R310 PolarHBondContact O-N 3.28Å; R308-R310 VanDerWaalsContact C-N 3.34Å; R308-R310 PolarHBondContact O-N 2.98Å; R310-R314 VanDerWaalsContact O-CB 3.27Å; R310-R314 WeakPolarHBondContact O-CB 3.32Å; R310-R314 PolarHBondContact O-N 3.49Å |
| 311 | K | 92.3 | Very high | 88 | Confident | 81 Ų | 81 | 74.3 Ų | 74.3 | 35% | 0.352 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.6 | -53.1 | 178.9 | -75.9 | 173.5 | -174.9 | 162.2 | 0 | 111.2 | E307 R308 F309 S313 R314 E315 | E307-K311 WeakPolarHBondContact O-CG 3.48Å; E307-K311 PolarHBondContact O-N 3.42Å; E307-K311 WeakPolarHBondContact OE1-CE 3.48Å; E307-K311 IonicContact OE1-NZ 3.56Å; E307-K311 PolarHBondContact OE1-NZ 2.87Å; R308-K311 PolarHBondContact O-N 3.31Å; F309-K311 PolarHBondContact O-N 2.87Å; K311-S313 VanDerWaalsContact C-N 3.34Å; K311-S313 PolarHBondContact O-N 3.32Å; K311-R314 PolarHBondContact O-N 3.48Å; K311-E315 WeakPolarHBondContact O-CB 3.46Å; K311-E315 WeakPolarHBondContact O-CG 3.24Å; K311-E315 PolarHBondContact O-N 2.94Å |
| 312 | V | 90.6 | Very high | 88 | Confident | 9 Ų | 9 | 74.8 Ų | 74.8 | 6% | 0.055 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 179.6 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | V33 D36 S38 L39 R308 F309 R314 E315 L316 | V33-V312 HydrophobicContact CG1-CB 4.14Å; V33-V312 HydrophobicContact CG1-CG1 3.93Å; D36-V312 HydrophobicContact CB-CG1 3.68Å; S38-V312 WeakPolarHBondContact OG-CG2 3.27Å; L39-V312 HydrophobicContact CD1-CB 4.34Å; L39-V312 HydrophobicContact CD1-CG2 4.15Å; L39-V312 HydrophobicContact CG-CG2 4.2Å; R308-V312 WeakPolarHBondContact O-CG2 3.32Å; R308-V312 PolarHBondContact O-N 3.47Å; R308-V312 VanDerWaalsContact O-N 3.13Å; F309-V312 PolarHBondContact O-N 3.27Å; V312-R314 PolarHBondContact O-N 3.43Å; V312-E315 PolarHBondContact O-N 3.5Å; V312-L316 HydrophobicContact CG1-CD1 3.91Å; V312-L316 HydrophobicContact CG1-CG 4.35Å; V312-L316 WeakPolarHBondContact O-CB 3.21Å; V312-L316 VanDerWaalsContact O-CG 3.31Å; V312-L316 WeakPolarHBondContact O-CG 3.41Å; V312-L316 PolarHBondContact O-N 3.27Å |
| 313 | S | 90.3 | Very high | 87.8 | Confident | 7 Ų | 7 | 80.2 Ų | 80.2 | 5% | 0.049 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.5 | -46 | 175.9 | 175.7 | 0 | 0 | 0 | 0 | 112.2 | F309 K311 L316 L317 | F309-S313 WeakPolarHBondContact O-CB 3.1Å; F309-S313 PolarHBondContact O-N 2.87Å; K311-S313 VanDerWaalsContact C-N 3.34Å; K311-S313 PolarHBondContact O-N 3.32Å; S313-L316 PolarHBondContact O-N 3.37Å; S313-L317 WeakPolarHBondContact O-CB 3.25Å; S313-L317 VanDerWaalsContact O-CG 3.29Å; S313-L317 WeakPolarHBondContact O-CG 3.34Å; S313-L317 PolarHBondContact O-N 3.16Å |
| 314 | R | 91.7 | Very high | 87.6 | Confident | 141 Ų | 141 | 80 Ų | 80 | 53% | 0.532 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 175.9 | 174.7 | 179 | -95.4 | -100.9 | 1.1 | 111.6 | R310 K311 V312 L317 L318 | R310-R314 VanDerWaalsContact O-CB 3.27Å; R310-R314 WeakPolarHBondContact O-CB 3.32Å; R310-R314 PolarHBondContact O-N 3.49Å; K311-R314 PolarHBondContact O-N 3.48Å; V312-R314 PolarHBondContact O-N 3.43Å; R314-L317 PolarHBondContact O-N 3.35Å; R314-L318 HydrophobicContact CG-CD1 3.86Å; R314-L318 HydrophobicContact CG-CG 4.34Å; R314-L318 WeakPolarHBondContact O-CB 3.22Å; R314-L318 VanDerWaalsContact O-CG 3.23Å; R314-L318 WeakPolarHBondContact O-CG 3.28Å; R314-L318 PolarHBondContact O-N 2.88Å |
| 315 | E | 91.4 | Very high | 87.5 | Confident | 105 Ų | 105 | 76.9 Ų | 76.9 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 178.2 | -74.2 | 168.9 | -164.6 | 0 | 0 | 111.4 | K311 V312 L318 Q319 | K311-E315 WeakPolarHBondContact O-CB 3.46Å; K311-E315 WeakPolarHBondContact O-CG 3.24Å; K311-E315 PolarHBondContact O-N 2.94Å; V312-E315 PolarHBondContact O-N 3.5Å; E315-L318 PolarHBondContact O-N 3.23Å; E315-Q319 WeakPolarHBondContact O-CB 3.4Å; E315-Q319 VanDerWaalsContact O-CG 3.27Å; E315-Q319 WeakPolarHBondContact O-CG 3.3Å; E315-Q319 PolarHBondContact O-N 3.42Å |
| 316 | L | 88.6 | Confident | 87.6 | Confident | 43 Ų | 43 | 80.1 Ų | 80.1 | 23% | 0.225 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 177.2 | -71.6 | 172.3 | 0 | 0 | 0 | 112.4 | I32 V33 V312 S313 Q319 T320 | I32-L316 HydrophobicContact CG2-CD1 4.06Å; V33-L316 HydrophobicContact CG2-CD1 3.97Å; V312-L316 HydrophobicContact CG1-CD1 3.91Å; V312-L316 HydrophobicContact CG1-CG 4.35Å; V312-L316 WeakPolarHBondContact O-CB 3.21Å; V312-L316 VanDerWaalsContact O-CG 3.31Å; V312-L316 WeakPolarHBondContact O-CG 3.41Å; V312-L316 PolarHBondContact O-N 3.27Å; S313-L316 PolarHBondContact O-N 3.37Å; L316-Q319 PolarHBondContact O-N 2.95Å; L316-T320 WeakPolarHBondContact O-CB 3.41Å; L316-T320 PolarHBondContact O-N 3.34Å; L316-T320 PolarHBondContact O-OG1 2.84Å |
| 317 | L | 88.9 | Confident | 87.4 | Confident | 76 Ų | 76 | 85 Ų | 85 | 40% | 0.398 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.1 | -48.5 | 175.5 | -74.4 | 170.8 | 0 | 0 | 0 | 110.7 | S313 R314 Q319 T320 F321 | S313-L317 WeakPolarHBondContact O-CB 3.25Å; S313-L317 VanDerWaalsContact O-CG 3.29Å; S313-L317 WeakPolarHBondContact O-CG 3.34Å; S313-L317 PolarHBondContact O-N 3.16Å; R314-L317 PolarHBondContact O-N 3.35Å; L317-Q319 VanDerWaalsContact C-N 3.32Å; L317-Q319 PolarHBondContact O-N 2.91Å; L317-T320 PolarHBondContact O-N 2.93Å; L317-T320 VanDerWaalsContact O-N 3.07Å; L317-F321 HydrophobicContact CB-CD2 4.37Å; L317-F321 HydrophobicContact CB-CE2 4.33Å; L317-F321 HydrophobicContact CD2-CE2 4.41Å; L317-F321 WeakPolarHBondContact O-CD2 3.46Å; L317-F321 PolarHBondContact O-N 3.15Å |
| 318 | L | 90.7 | Very high | 86.9 | Confident | 61 Ų | 61 | 84.4 Ų | 84.4 | 32% | 0.319 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 177.6 | -74.1 | 171.1 | 0 | 0 | 0 | 112.1 | R314 E315 T320 A322 | R314-L318 HydrophobicContact CG-CD1 3.86Å; R314-L318 HydrophobicContact CG-CG 4.34Å; R314-L318 WeakPolarHBondContact O-CB 3.22Å; R314-L318 VanDerWaalsContact O-CG 3.23Å; R314-L318 WeakPolarHBondContact O-CG 3.28Å; R314-L318 PolarHBondContact O-N 2.88Å; E315-L318 PolarHBondContact O-N 3.23Å; L318-T320 VanDerWaalsContact C-N 3.33Å; L318-T320 PolarHBondContact O-N 3.35Å; L318-A322 VanDerWaalsContact O-CB 3.26Å; L318-A322 WeakPolarHBondContact O-CB 3.48Å; L318-A322 PolarHBondContact O-N 3.34Å |
| 319 | Q | 88.3 | Confident | 85.2 | Confident | 93 Ų | 93 | 82.5 Ų | 82.5 | 44% | 0.435 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 174.8 | -73.5 | 176 | 11.8 | 0 | 0 | 112.3 | E315 L316 L317 K323 | E315-Q319 WeakPolarHBondContact O-CB 3.4Å; E315-Q319 VanDerWaalsContact O-CG 3.27Å; E315-Q319 WeakPolarHBondContact O-CG 3.3Å; E315-Q319 PolarHBondContact O-N 3.42Å; L316-Q319 PolarHBondContact O-N 2.95Å; L317-Q319 VanDerWaalsContact C-N 3.32Å; L317-Q319 PolarHBondContact O-N 2.91Å; Q319-K323 WeakPolarHBondContact O-CB 3.5Å; Q319-K323 VanDerWaalsContact O-CG 3.31Å; Q319-K323 WeakPolarHBondContact O-CG 3.25Å; Q319-K323 PolarHBondContact O-N 3.32Å |
| 320 | T | 86.5 | Confident | 83.8 | Confident | 89 Ų | 89 | 85.9 Ų | 85.9 | 55% | 0.546 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.6 | -46.3 | 179.3 | -54.3 | 0 | 0 | 0 | 0 | 111 | L316 L317 L318 A322 K323 A324 | L316-T320 WeakPolarHBondContact O-CB 3.41Å; L316-T320 PolarHBondContact O-N 3.34Å; L316-T320 PolarHBondContact O-OG1 2.84Å; L317-T320 PolarHBondContact O-N 2.93Å; L317-T320 VanDerWaalsContact O-N 3.07Å; L318-T320 VanDerWaalsContact C-N 3.33Å; L318-T320 PolarHBondContact O-N 3.35Å; T320-A322 PolarHBondContact O-N 3.19Å; T320-K323 PolarHBondContact O-N 3.13Å; T320-A324 WeakPolarHBondContact O-CB 3.33Å; T320-A324 PolarHBondContact O-N 2.72Å |
| 321 | F | 87.9 | Confident | 81.7 | Confident | 143 Ų | 143 | 85.2 Ų | 85.2 | 63% | 0.627 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.6 | -42.7 | 174.2 | -78 | -67.5 | 0 | 0 | 0 | 112.1 | L317 K323 A324 L325 | L317-F321 HydrophobicContact CB-CD2 4.37Å; L317-F321 HydrophobicContact CB-CE2 4.33Å; L317-F321 HydrophobicContact CD2-CE2 4.41Å; L317-F321 WeakPolarHBondContact O-CD2 3.46Å; L317-F321 PolarHBondContact O-N 3.15Å; F321-K323 PolarHBondContact O-N 3.36Å; F321-A324 PolarHBondContact O-N 3.34Å; F321-L325 WeakPolarHBondContact O-CB 3.34Å; F321-L325 PolarHBondContact O-N 3.36Å |
| 322 | A | 87.5 | Confident | 79.4 | Confident | 27 Ų | 27 | 92.3 Ų | 92.3 | 22% | 0.223 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L318 T320 L325 L326 | L318-A322 VanDerWaalsContact O-CB 3.26Å; L318-A322 WeakPolarHBondContact O-CB 3.48Å; L318-A322 PolarHBondContact O-N 3.34Å; T320-A322 PolarHBondContact O-N 3.19Å; A322-L325 PolarHBondContact O-N 3.45Å; A322-L326 VanDerWaalsContact O-CG 3.27Å; A322-L326 WeakPolarHBondContact O-CG 3.49Å; A322-L326 PolarHBondContact O-N 3.42Å; A322-L326 VanDerWaalsContact O-N 3.12Å |
| 323 | K | 84.1 | Confident | 77.3 | Confident | 140 Ų | 140 | 95.2 Ų | 95.2 | 61% | 0.609 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 175.3 | -74.3 | 174.3 | -177.8 | 179.2 | 0 | 112.3 | Q319 T320 F321 L325 L326 L327 | Q319-K323 WeakPolarHBondContact O-CB 3.5Å; Q319-K323 VanDerWaalsContact O-CG 3.31Å; Q319-K323 WeakPolarHBondContact O-CG 3.25Å; Q319-K323 PolarHBondContact O-N 3.32Å; T320-K323 PolarHBondContact O-N 3.13Å; F321-K323 PolarHBondContact O-N 3.36Å; K323-L325 VanDerWaalsContact C-N 3.34Å; K323-L325 PolarHBondContact O-N 2.85Å; K323-L326 PolarHBondContact O-N 2.92Å; K323-L327 WeakPolarHBondContact O-CG 3.18Å; K323-L327 PolarHBondContact O-N 2.99Å |
| 324 | A | 84 | Confident | 74.9 | Confident | 52 Ų | 52 | 100.5 Ų | 100.5 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T320 F321 L326 L327 | T320-A324 WeakPolarHBondContact O-CB 3.33Å; T320-A324 PolarHBondContact O-N 2.72Å; F321-A324 PolarHBondContact O-N 3.34Å; A324-L326 VanDerWaalsContact C-N 3.29Å; A324-L326 PolarHBondContact O-N 3.03Å; A324-L327 PolarHBondContact O-N 3.29Å; A324-L327 VanDerWaalsContact O-N 3.1Å |
| 325 | L | 83.6 | Confident | 72.7 | Confident | 69 Ų | 69 | 104.5 Ų | 104.5 | 36% | 0.361 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.2 | -36.3 | 175.7 | -171.5 | 67.1 | 0 | 0 | 0 | 112.2 | F321 A322 K323 L327 V328 Y331 | F321-L325 WeakPolarHBondContact O-CB 3.34Å; F321-L325 PolarHBondContact O-N 3.36Å; A322-L325 PolarHBondContact O-N 3.45Å; K323-L325 VanDerWaalsContact C-N 3.34Å; K323-L325 PolarHBondContact O-N 2.85Å; L325-L327 VanDerWaalsContact C-N 3.26Å; L325-L327 PolarHBondContact O-N 2.92Å; L325-V328 PolarHBondContact O-N 2.86Å; L325-Y331 HydrophobicContact CD1-CD1 4.25Å; L325-Y331 HydrophobicContact CD1-CD2 4.14Å; L325-Y331 HydrophobicContact CD1-CE1 4.05Å; L325-Y331 HydrophobicContact CD1-CE2 3.94Å; L325-Y331 HydrophobicContact CD1-CG 4.28Å; L325-Y331 HydrophobicContact CD2-CD1 4.17Å; L325-Y331 HydrophobicContact CD2-CE1 3.75Å; L325-Y331 HydrophobicContact CG-CD1 3.93Å; L325-Y331 HydrophobicContact CG-CE1 3.92Å; L325-Y331 HydrophobicContact CG-CG 4.29Å |
| 326 | L | 79.4 | Confident | 70.7 | Confident | 111 Ų | 111 | 103.9 Ų | 103.9 | 58% | 0.581 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.4 | -19.6 | 175.7 | -69.7 | 171.5 | 0 | 0 | 0 | 113.8 | A322 K323 A324 | A322-L326 VanDerWaalsContact O-CG 3.27Å; A322-L326 WeakPolarHBondContact O-CG 3.49Å; A322-L326 PolarHBondContact O-N 3.42Å; A322-L326 VanDerWaalsContact O-N 3.12Å; K323-L326 PolarHBondContact O-N 2.92Å; A324-L326 VanDerWaalsContact C-N 3.29Å; A324-L326 PolarHBondContact O-N 3.03Å |
| 327 | L | 78.9 | Confident | 68.7 | Low | 145 Ų | 145 | 103.6 Ų | 103.6 | 76% | 0.759 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -85.2 | -11.8 | 177.7 | -68.1 | 172.9 | 0 | 0 | 0 | 113.3 | K323 A324 L325 P329 | K323-L327 WeakPolarHBondContact O-CG 3.18Å; K323-L327 PolarHBondContact O-N 2.99Å; A324-L327 PolarHBondContact O-N 3.29Å; A324-L327 VanDerWaalsContact O-N 3.1Å; L325-L327 VanDerWaalsContact C-N 3.26Å; L325-L327 PolarHBondContact O-N 2.92Å; L327-P329 VanDerWaalsContact O-CD 3.28Å; L327-P329 WeakPolarHBondContact O-CD 3.48Å |
| 328 | V | 73.8 | Confident | 66.8 | Low | 78 Ų | 78 | 101.8 Ų | 101.8 | 47% | 0.473 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -72 | 116.7 | 177.6 | -178.4 | 0 | 0 | 0 | 0 | 109.7 | L325 G330 Y331 | L325-V328 PolarHBondContact O-N 2.86Å; V328-G330 PolarHBondContact O-N 3.2Å; V328-Y331 PolarHBondContact O-N 2.9Å |
| 329 | P | 50.7 | Low | 64.7 | Low | 132 Ų | 132 | 102.8 Ų | 102.8 | 86% | 0.857 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 111.6 | 175 | -14.9 | 29.2 | 0 | 0 | 0 | 109.2 | L327 | L327-P329 VanDerWaalsContact O-CD 3.28Å; L327-P329 WeakPolarHBondContact O-CD 3.48Å |
| 330 | G | 59.7 | Low | 62.8 | Low | 74 Ų | 74 | 102.6 Ų | 102.6 | 76% | 0.763 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 132.8 | -21.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V328 R332 | V328-G330 PolarHBondContact O-N 3.2Å; G330-R332 PolarHBondContact O-N 3.23Å; G330-R332 VanDerWaalsContact O-N 3.07Å |
| 331 | Y | 46.9 | Very low | 60.8 | Low | 114 Ų | 114 | 104 Ų | 104 | 45% | 0.447 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -85.8 | 34.6 | -179.7 | -120.9 | -96.3 | 0 | 0 | 0 | 113.9 | L325 V328 G333 W334 | L325-Y331 HydrophobicContact CD1-CD1 4.25Å; L325-Y331 HydrophobicContact CD1-CD2 4.14Å; L325-Y331 HydrophobicContact CD1-CE1 4.05Å; L325-Y331 HydrophobicContact CD1-CE2 3.94Å; L325-Y331 HydrophobicContact CD1-CG 4.28Å; L325-Y331 HydrophobicContact CD2-CD1 4.17Å; L325-Y331 HydrophobicContact CD2-CE1 3.75Å; L325-Y331 HydrophobicContact CG-CD1 3.93Å; L325-Y331 HydrophobicContact CG-CE1 3.92Å; L325-Y331 HydrophobicContact CG-CG 4.29Å; V328-Y331 PolarHBondContact O-N 2.9Å; Y331-G333 VanDerWaalsContact C-N 3.3Å; Y331-G333 PolarHBondContact O-N 3.38Å; Y331-W334 HydrophobicContact CD1-CB 4.26Å; Y331-W334 HydrophobicContact CE1-CB 4.28Å |
| 332 | R | 43.4 | Very low | 58.9 | Low | 229 Ų | 229 | 100.5 Ų | 100.5 | 86% | 0.864 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -76.3 | -16.6 | -178.5 | -150.4 | -179.6 | -83.3 | -138 | 1.9 | 112.7 | G330 W334 | G330-R332 PolarHBondContact O-N 3.23Å; G330-R332 VanDerWaalsContact O-N 3.07Å; R332-W334 PolarHBondContact O-N 2.93Å |
| 333 | G | 46.6 | Very low | 57.1 | Low | 71 Ų | 71 | 106.1 Ų | 106.1 | 73% | 0.732 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -80.2 | -5.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | Y331 | Y331-G333 VanDerWaalsContact C-N 3.3Å; Y331-G333 PolarHBondContact O-N 3.38Å |
| 334 | W | 41.2 | Very low | 55.4 | Low | 118 Ų | 118 | 101.8 Ų | 101.8 | 45% | 0.447 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -113.8 | 20.3 | -174.4 | -120.6 | 47.6 | 0 | 0 | 0 | 115.1 | Y331 R332 S336 S337 T338 | Y331-W334 HydrophobicContact CD1-CB 4.26Å; Y331-W334 HydrophobicContact CE1-CB 4.28Å; R332-W334 PolarHBondContact O-N 2.93Å; W334-S336 PolarHBondContact O-N 3.24Å; W334-S336 VanDerWaalsContact O-N 3.09Å; W334-S337 PolarHBondContact O-N 3.4Å; W334-T338 PolarHBondContact O-OG1 2.85Å |
| 335 | R | 43.6 | Very low | 53.5 | Low | 224 Ų | 224 | 101.6 Ų | 101.6 | 85% | 0.845 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -17 | 175.8 | -166.8 | -179.8 | -91.9 | -143.9 | -1.9 | 113.1 | ||
| 336 | S | 50.2 | Low | 52 | Low | 92 Ų | 92 | 104 Ų | 104 | 64% | 0.643 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -19.3 | -179.1 | 52.8 | 0 | 0 | 0 | 0 | 115.4 | W334 | W334-S336 PolarHBondContact O-N 3.24Å; W334-S336 VanDerWaalsContact O-N 3.09Å |
| 337 | S | 47.7 | Very low | 50.6 | Low | 37 Ų | 37 | 102.4 Ų | 102.4 | 26% | 0.259 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.5 | -11.3 | -168 | -57 | 0 | 0 | 0 | 0 | 115.3 | W334 T340 F341 | W334-S337 PolarHBondContact O-N 3.4Å; S337-T340 WeakPolarHBondContact O-CB 3.49Å; S337-T340 PolarHBondContact O-N 3.38Å; S337-F341 PolarHBondContact O-N 3.19Å |
| 338 | T | 47.8 | Very low | 49 | Very low | 38 Ų | 38 | 101.4 Ų | 101.4 | 23% | 0.233 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -63.2 | -41.9 | -179.1 | -6.3 | 0 | 0 | 0 | 0 | 113.7 | W334 T340 L342 | W334-T338 PolarHBondContact O-OG1 2.85Å; T338-T340 VanDerWaalsContact C-N 3.26Å; T338-T340 PolarHBondContact O-N 3.22Å; T338-L342 PolarHBondContact O-N 2.85Å; T338-L342 VanDerWaalsContact O-N 3.14Å |
| 339 | P | 47.8 | Very low | 47.5 | Very low | 82 Ų | 82 | 102.7 Ų | 102.7 | 53% | 0.532 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.2 | -35.4 | 173 | -18.3 | 30.6 | 0 | 0 | 0 | 111.9 | K343 | P339-K343 WeakPolarHBondContact O-CB 3.21Å; P339-K343 PolarHBondContact O-N 3.4Å |
| 340 | T | 47.6 | Very low | 46.8 | Very low | 90 Ų | 90 | 105.7 Ų | 105.7 | 55% | 0.552 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -73.6 | -38.4 | -177.6 | -24.7 | 0 | 0 | 0 | 0 | 111.7 | S337 T338 A344 | S337-T340 WeakPolarHBondContact O-CB 3.49Å; S337-T340 PolarHBondContact O-N 3.38Å; T338-T340 VanDerWaalsContact C-N 3.26Å; T338-T340 PolarHBondContact O-N 3.22Å; T340-A344 WeakPolarHBondContact O-CB 3.22Å; T340-A344 PolarHBondContact O-N 3.4Å |
| 341 | F | 44 | Very low | 45.7 | Very low | 118 Ų | 118 | 106.2 Ų | 106.2 | 52% | 0.518 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.9 | -42.8 | 175.3 | -171.4 | -96.5 | 0 | 0 | 0 | 112.2 | S337 A344 C345 | S337-F341 PolarHBondContact O-N 3.19Å; F341-A344 PolarHBondContact O-N 3.35Å; F341-C345 PolarHBondContact O-N 3.37Å |
| 342 | L | 48.7 | Very low | 45 | Very low | 70 Ų | 70 | 104.5 Ų | 104.5 | 37% | 0.366 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 173.7 | -88.9 | 155.1 | 0 | 0 | 0 | 111.7 | T338 Q346 | T338-L342 PolarHBondContact O-N 2.85Å; T338-L342 VanDerWaalsContact O-N 3.14Å; L342-Q346 WeakPolarHBondContact O-CG 3.32Å; L342-Q346 PolarHBondContact O-N 3.08Å; L342-Q346 VanDerWaalsContact O-N 3.17Å |
| 343 | K | 48.9 | Very low | 44.5 | Very low | 144 Ų | 144 | 99.7 Ų | 99.7 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.4 | -47.5 | 171.2 | -90.8 | 179.3 | 175 | 176.2 | 0 | 111.5 | P339 C345 Q346 T347 | P339-K343 WeakPolarHBondContact O-CB 3.21Å; P339-K343 PolarHBondContact O-N 3.4Å; K343-C345 VanDerWaalsContact C-N 3.34Å; K343-C345 PolarHBondContact O-N 3.38Å; K343-Q346 CarbonylContact O-C 3.6Å; K343-Q346 WeakPolarHBondContact O-CA 3.37Å; K343-Q346 WeakPolarHBondContact O-CB 3.1Å; K343-Q346 PolarHBondContact O-N 2.99Å; K343-T347 PolarHBondContact O-N 2.86Å; K343-T347 PolarHBondContact O-OG1 3.46Å |
| 344 | A | 48.6 | Very low | 43.8 | Very low | 49 Ų | 49 | 101 Ų | 101 | 41% | 0.405 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.2 | -40.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T340 F341 Q346 T347 N348 | T340-A344 WeakPolarHBondContact O-CB 3.22Å; T340-A344 PolarHBondContact O-N 3.4Å; F341-A344 PolarHBondContact O-N 3.35Å; A344-Q346 VanDerWaalsContact C-N 3.32Å; A344-Q346 PolarHBondContact O-N 3.18Å; A344-T347 PolarHBondContact O-N 3.21Å; A344-N348 WeakPolarHBondContact O-CB 3.42Å; A344-N348 PolarHBondContact O-N 3.05Å |
| 345 | C | 45.5 | Very low | 43.3 | Very low | 48 Ų | 48 | 99.4 Ų | 99.4 | 32% | 0.324 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.7 | -37.4 | 170.9 | -87.3 | 0 | 0 | 0 | 0 | 112.7 | F341 K343 | F341-C345 PolarHBondContact O-N 3.37Å; K343-C345 VanDerWaalsContact C-N 3.34Å; K343-C345 PolarHBondContact O-N 3.38Å |
| 346 | Q | 50.8 | Low | 42.7 | Very low | 119 Ų | 119 | 93.3 Ų | 93.3 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.6 | -34.3 | 174.7 | -73.4 | 177.3 | -20.3 | 0 | 0 | 113 | L342 K343 A344 R350 | L342-Q346 WeakPolarHBondContact O-CG 3.32Å; L342-Q346 PolarHBondContact O-N 3.08Å; L342-Q346 VanDerWaalsContact O-N 3.17Å; K343-Q346 CarbonylContact O-C 3.6Å; K343-Q346 WeakPolarHBondContact O-CA 3.37Å; K343-Q346 WeakPolarHBondContact O-CB 3.1Å; K343-Q346 PolarHBondContact O-N 2.99Å; A344-Q346 VanDerWaalsContact C-N 3.32Å; A344-Q346 PolarHBondContact O-N 3.18Å; Q346-R350 PolarHBondContact O-N 3.2Å |
| 347 | T | 50.9 | Low | 41.7 | Very low | 78 Ų | 78 | 93 Ų | 93 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -80 | -43.8 | -177.4 | -39.6 | 0 | 0 | 0 | 0 | 111.8 | K343 A344 Q349 R350 V351 | K343-T347 PolarHBondContact O-N 2.86Å; K343-T347 PolarHBondContact O-OG1 3.46Å; A344-T347 PolarHBondContact O-N 3.21Å; T347-Q349 PolarHBondContact O-N 3.43Å; T347-R350 WeakPolarHBondContact O-CA 3Å; T347-R350 WeakPolarHBondContact O-CB 3.12Å; T347-R350 PolarHBondContact O-N 2.94Å; T347-V351 PolarHBondContact O-N 2.82Å; T347-V351 VanDerWaalsContact O-N 3.07Å |
| 348 | N | 43.9 | Very low | 40.9 | Very low | 125 Ų | 125 | 97 Ų | 97 | 67% | 0.668 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.7 | -30.6 | 176.7 | -97.8 | -8 | 0 | 0 | 0 | 112.5 | A344 S352 | A344-N348 WeakPolarHBondContact O-CB 3.42Å; A344-N348 PolarHBondContact O-N 3.05Å; N348-S352 PolarHBondContact O-N 3.44Å; N348-S352 VanDerWaalsContact O-N 3.07Å |
| 349 | Q | 43.2 | Very low | 40.1 | Very low | 104 Ų | 104 | 103.7 Ų | 103.7 | 49% | 0.486 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -78.5 | -21.7 | 173.3 | -80.3 | -169.5 | -20.8 | 0 | 0 | 114.3 | T347 S352 K353 | T347-Q349 PolarHBondContact O-N 3.43Å; Q349-S352 WeakPolarHBondContact CA-OG 2.95Å; Q349-S352 PolarHBondContact O-OG 3.42Å; Q349-K353 PolarHBondContact O-N 3.38Å |
| 350 | R | 35 | Very low | 39.2 | Very low | 195 Ų | 195 | 108 Ų | 108 | 74% | 0.736 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.7 | -37.3 | 172.5 | -140 | -177.3 | -82.4 | -165.1 | -3.2 | 110.1 | Q346 T347 K353 S354 | Q346-R350 PolarHBondContact O-N 3.2Å; T347-R350 WeakPolarHBondContact O-CA 3Å; T347-R350 WeakPolarHBondContact O-CB 3.12Å; T347-R350 PolarHBondContact O-N 2.94Å; R350-K353 PolarHBondContact O-N 2.84Å; R350-S354 PolarHBondContact O-N 2.86Å |
| 351 | V | 36.7 | Very low | 38.3 | Very low | 86 Ų | 86 | 106.9 Ų | 106.9 | 52% | 0.521 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.4 | -42.1 | 173.1 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | T347 K353 S354 A355 | T347-V351 PolarHBondContact O-N 2.82Å; T347-V351 VanDerWaalsContact O-N 3.07Å; V351-K353 PolarHBondContact O-N 2.85Å; V351-K353 VanDerWaalsContact O-N 3.12Å; V351-S354 PolarHBondContact O-N 3.2Å; V351-S354 VanDerWaalsContact O-N 3.15Å; V351-S354 PolarHBondContact O-OG 3.44Å; V351-A355 PolarHBondContact O-N 3.31Å |
| 352 | S | 34 | Very low | 37.6 | Very low | 78 Ų | 78 | 109.2 Ų | 109.2 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.3 | -13.4 | 177.1 | 76.8 | 0 | 0 | 0 | 0 | 114 | N348 Q349 | N348-S352 PolarHBondContact O-N 3.44Å; N348-S352 VanDerWaalsContact O-N 3.07Å; Q349-S352 WeakPolarHBondContact CA-OG 2.95Å; Q349-S352 PolarHBondContact O-OG 3.42Å |
| 353 | K | 31.6 | Very low | 36.5 | Very low | 128 Ų | 128 | 116.7 Ų | 116.7 | 56% | 0.557 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -97.4 | -14.3 | 174.6 | -79.4 | -171.9 | 173.3 | -169.5 | 0 | 114.2 | E307 Q349 R350 V351 | E307-K353 IonicContact OE1-NZ 3.25Å; E307-K353 PolarHBondContact OE1-NZ 3.47Å; E307-K353 VanDerWaalsContact OE1-NZ 3.12Å; Q349-K353 PolarHBondContact O-N 3.38Å; R350-K353 PolarHBondContact O-N 2.84Å; V351-K353 PolarHBondContact O-N 2.85Å; V351-K353 VanDerWaalsContact O-N 3.12Å |
| 354 | S | 32.5 | Very low | 35.4 | Very low | 98 Ų | 98 | 119.6 Ų | 119.6 | 69% | 0.685 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -90.6 | -15.6 | 169.9 | 72.1 | 0 | 0 | 0 | 0 | 112.6 | R350 V351 S356 | R350-S354 PolarHBondContact O-N 2.86Å; V351-S354 PolarHBondContact O-N 3.2Å; V351-S354 VanDerWaalsContact O-N 3.15Å; V351-S354 PolarHBondContact O-OG 3.44Å; S354-S356 VanDerWaalsContact C-N 3.3Å; S354-S356 PolarHBondContact O-N 3.45Å; S354-S356 VanDerWaalsContact O-N 3.11Å |
| 355 | A | 30.6 | Very low | 34.6 | Very low | 84 Ų | 84 | 121.5 Ų | 121.5 | 69% | 0.694 | 66% | 0.655 | S | S | * | * | trans | -85.6 | 65.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V351 | V351-A355 PolarHBondContact O-N 3.31Š| ||
| 356 | S | 30.4 | Very low | 33.7 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 68% | 0.678 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -131.8 | 101.8 | 163.8 | 58.4 | 0 | 0 | 0 | 0 | 110.6 | S354 | S354-S356 VanDerWaalsContact C-N 3.3Å; S354-S356 PolarHBondContact O-N 3.45Å; S354-S356 VanDerWaalsContact O-N 3.11Å |
| 357 | A | 29.6 | Very low | 32.6 | Very low | 86 Ų | 86 | 124.6 Ų | 124.6 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | trans | 73.7 | 108.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | H359 | A357-H359 PolarHBondContact O-N 3.08Š| ||
| 358 | P | 30.4 | Very low | 31.5 | Very low | 120 Ų | 120 | 129 Ų | 129 | 78% | 0.779 | 70% | 0.698 | S | S | * | * | trans | -66.4 | 124.6 | 168 | 28.6 | -29.9 | 0 | 0 | 0 | 108.9 | L360 | P358-L360 PolarHBondContact O-N 3.4Š| ||
| 359 | H | 32.1 | Very low | 30.8 | Very low | 179 Ų | 179 | 129.5 Ų | 129.5 | 83% | 0.829 | 70% | 0.698 | S | S | * | * | trans | -68.8 | 88.5 | 165.2 | -107.1 | -82.1 | 0 | 0 | 0 | 108.1 | A357 A361 | A357-H359 PolarHBondContact O-N 3.08Å; H359-A361 PolarHBondContact O-N 3.1Å | ||
| 360 | L | 29.1 | Very low | 30.1 | Very low | 172 Ų | 172 | 128.6 Ų | 128.6 | 90% | 0.901 | 70% | 0.704 | S | S | * | * | trans | -61.1 | 91.2 | 148.6 | -114.7 | 96.5 | 0 | 0 | 0 | 106.7 | P358 | P358-L360 PolarHBondContact O-N 3.4Š| ||
| 361 | A | 28.4 | Very low | 29.7 | Very low | 67 Ų | 67 | 126.4 Ų | 126.4 | 55% | 0.554 | 71% | 0.707 | S | S | * | * | trans | -154.9 | 88 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | H359 R363 | H359-A361 PolarHBondContact O-N 3.1Å; A361-R363 PolarHBondContact O-N 3.09Å | ||
| 362 | H | 27.8 | Very low | 29.6 | Very low | 166 Ų | 166 | 129.3 Ų | 129.3 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | 38.3 | 83.4 | 128.4 | -98.1 | -87.5 | 0 | 0 | 0 | 116.4 | Y364 | H362-Y364 AromaticContact CE1-CE2 3.79Å; H362-Y364 AromaticContact ND1-CD2 3.63Å; H362-Y364 AromaticContact ND1-CE2 3.91Å | |||
| 363 | R | 26.4 | Very low | 29.4 | Very low | 227 Ų | 227 | 133.8 Ų | 133.8 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | trans | -151.8 | 95.7 | 140 | -98.1 | 179.3 | -168.1 | -154 | -0.2 | 103.7 | A361 | A361-R363 PolarHBondContact O-N 3.09Š| ||
| 364 | Y | 27 | Very low | 29.2 | Very low | 206 Ų | 206 | 134.8 Ų | 134.8 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | 31.5 | 64.7 | 66.4 | -78.3 | -78 | 0 | 0 | 0 | 111.2 | H362 | H362-Y364 AromaticContact CE1-CE2 3.79Å; H362-Y364 AromaticContact ND1-CD2 3.63Å; H362-Y364 AromaticContact ND1-CE2 3.91Å | |||
| 365 | S | 30.5 | Very low | 29.2 | Very low | 89 Ų | 89 | 140.1 Ų | 140.1 | 62% | 0.622 | 76% | 0.759 | S | S | * | * | trans | -137.9 | 68.8 | 149.9 | -43.5 | 0 | 0 | 0 | 0 | 103.7 | ||||
| 366 | S | 27.5 | Very low | 29.4 | Very low | 90 Ų | 90 | 149 Ų | 149 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | 53.6 | 94.9 | 113.7 | 63.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 367 | L | 26.6 | Very low | 29.3 | Very low | 142 Ų | 142 | 151.7 Ų | 151.7 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | 52 | 78.8 | 130.1 | -66.4 | 137.6 | 0 | 0 | 0 | 114.9 | I369 | L367-I369 HydrophobicContact CD2-CD1 3.59Å; L367-I369 HydrophobicContact CD2-CG1 3.7Å | ||
| 368 | I | 27.8 | Very low | 29.3 | Very low | 171 Ų | 171 | 155.1 Ų | 155.1 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -99.1 | 90.2 | 140.6 | -59.9 | 177.8 | 0 | 0 | 0 | 104.1 | S370 | I368-S370 PolarHBondContact O-N 3.33Š| ||
| 369 | I | 29.9 | Very low | 29.2 | Very low | 134 Ų | 134 | 157.1 Ų | 157.1 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | trans | -62.3 | 126.8 | 169.1 | -75.3 | 172 | 0 | 0 | 0 | 106.9 | L367 | L367-I369 HydrophobicContact CD2-CD1 3.59Å; L367-I369 HydrophobicContact CD2-CG1 3.7Å | ||
| 370 | S | 27.5 | Very low | 29.1 | Very low | 85 Ų | 85 | 155.8 Ų | 155.8 | 59% | 0.594 | 79% | 0.79 | S | S | * | * | trans | -56.6 | 151.8 | 167.5 | -46.7 | 0 | 0 | 0 | 0 | 111.9 | I368 | I368-S370 PolarHBondContact O-N 3.33Š| ||
| 371 | D | 28.1 | Very low | 29.1 | Very low | 150 Ų | 150 | 154.8 Ų | 154.8 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | 51 | 98.8 | 144.2 | -53.5 | -30.5 | 0 | 0 | 0 | 117.6 | ||||
| 372 | V | 33.6 | Very low | 29.1 | Very low | 147 Ų | 147 | 160.6 Ų | 160.6 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -131.6 | 109.5 | 142.2 | 179.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 373 | E | 30.2 | Very low | 29.2 | Very low | 171 Ų | 171 | 160.2 Ų | 160.2 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -55.1 | 152.5 | 170.7 | -70.1 | 166.2 | 129 | 0 | 0 | 113.1 | ||||
| 374 | D | 27.6 | Very low | 29.4 | Very low | 150 Ų | 150 | 155.1 Ų | 155.1 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | 5.7 | 118.4 | 139.6 | -67.6 | -40.9 | 0 | 0 | 0 | 117.2 | ||||
| 375 | F | 31.9 | Very low | 29.6 | Very low | 209 Ų | 209 | 150.8 Ų | 150.8 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | -157.2 | 109.8 | 134.8 | -115.5 | -83.5 | 0 | 0 | 0 | 109.6 | ||||
| 376 | K | 34.4 | Very low | 29.5 | Very low | 272 Ų | 272 | 156.5 Ų | 156.5 | 100% | 1.183 | 81% | 0.811 | S | S | * | * | trans | 30.2 | 0 | 157.7 | -86.8 | 177.9 | 172.7 | 177.1 | 0 | 119.6 |
Retrieved 376 of 376 residues in 524.6 ms
(Link to these results)