| 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 | 40.8 | Very low | 67.1 | Low | 243 Ų | 243 | 113.5 Ų | 113.5 | 100% | 1.197 | 66% | 0.664 | S | S | * | * | 0 | 109 | 0 | -68.2 | 176.2 | 179.7 | 0 | 0 | 106.5 | G3 | M1-G3 PolarHBondContact O-N 3.01Å; M1-G3 VanDerWaalsContact O-N 3.08Å | |||
| 2 | A | 54.6 | Low | 68.7 | Low | 106 Ų | 106 | 105.8 Ų | 105.8 | 88% | 0.876 | 62% | 0.617 | S | S | * | * | trans | -63.6 | 111.2 | 174 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 3 | G | 52 | Low | 69.9 | Low | 53 Ų | 53 | 110.5 Ų | 110.5 | 55% | 0.546 | 62% | 0.618 | S | S | . | * | trans | -57 | 160.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | M1 E5 | M1-G3 PolarHBondContact O-N 3.01Å; M1-G3 VanDerWaalsContact O-N 3.08Å; G3-E5 PolarHBondContact O-N 3.14Å | ||
| 4 | P | 56.3 | Low | 71.1 | Confident | 130 Ų | 130 | 110.5 Ų | 110.5 | 84% | 0.844 | 62% | 0.615 | S | S | * | * | trans | -48.3 | 129.4 | -177.6 | 18.7 | -30.3 | 0 | 0 | 0 | 110.2 | L6 | P4-L6 PolarHBondContact O-N 3.28Š| ||
| 5 | E | 65.7 | Low | 72.3 | Confident | 154 Ų | 154 | 115.7 Ų | 115.7 | 72% | 0.72 | 62% | 0.622 | S | S | * | * | trans | -57.2 | 112.4 | 179.2 | -73.4 | -163.5 | 142.4 | 0 | 0 | 108.4 | G3 L7 | G3-E5 PolarHBondContact O-N 3.14Å; E5-L7 PolarHBondContact O-N 2.97Å | ||
| 6 | L | 69.4 | Low | 73.3 | Confident | 83 Ų | 83 | 108.9 Ų | 108.9 | 44% | 0.435 | 59% | 0.586 | S | S | . | * | trans | -64.2 | 109.9 | 178.4 | -154.1 | 118.9 | 0 | 0 | 0 | 107.3 | P4 L8 L161 W165 | P4-L6 PolarHBondContact O-N 3.28Å; L6-L8 HydrophobicContact CD2-CD2 4.22Å; L6-L8 PolarHBondContact O-N 3.19Å; L6-L161 HydrophobicContact CD1-CD1 4.26Å; L6-W165 HydrophobicContact CB-CH2 4.1Å; L6-W165 HydrophobicContact CB-CZ2 3.55Å; L6-W165 WeakPolarHBondContact O-CH2 3.28Å | ||
| 7 | L | 73.8 | Confident | 74.3 | Confident | 161 Ų | 161 | 104 Ų | 104 | 84% | 0.843 | 56% | 0.56 | S | S | * | * | trans | -76.4 | 107.3 | 176.2 | -65.9 | 177.3 | 0 | 0 | 0 | 108.1 | E5 | E5-L7 PolarHBondContact O-N 2.97Š| ||
| 8 | L | 74.3 | Confident | 75.3 | Confident | 50 Ų | 50 | 102.8 Ų | 102.8 | 26% | 0.262 | 55% | 0.553 | S | S | . | * | trans | -76.1 | 134.4 | 171.9 | -75.4 | 174.1 | 0 | 0 | 0 | 109.9 | L6 S10 V136 W165 | L6-L8 HydrophobicContact CD2-CD2 4.22Å; L6-L8 PolarHBondContact O-N 3.19Å; L8-S10 PolarHBondContact O-N 3.23Å; L8-V136 HydrophobicContact CD2-CB 4.17Å; L8-V136 HydrophobicContact CD2-CG1 4.27Å; L8-V136 VanDerWaalsContact CD2-O 3.29Å; L8-V136 WeakPolarHBondContact CD2-O 3.47Å; L8-W165 HydrophobicContact CD1-CE3 4.24Å; L8-W165 HydrophobicContact CD1-CH2 4.17Å; L8-W165 HydrophobicContact CD1-CZ3 3.4Å; L8-W165 VanDerWaalsContact CD1-CZ3 3.4Å; L8-W165 HydrophobicContact CG-CH2 4.2Å; L8-W165 HydrophobicContact CG-CZ3 3.82Å | ||
| 9 | D | 81.7 | Confident | 76.1 | Confident | 101 Ų | 101 | 99.5 Ų | 99.5 | 54% | 0.54 | 54% | 0.537 | S | S | . | . | trans | -59.5 | 125.2 | 166 | -177.2 | -3.4 | 0 | 0 | 0 | 109 | N11 I12 | D9-N11 PolarHBondContact O-N 3.03Å; D9-N11 VanDerWaalsContact O-N 3.14Å; D9-N11 WeakPolarHBondContact OD1-CB 3.45Å; D9-N11 PolarHBondContact OD1-N 2.96Å; D9-N11 PolarHBondContact OD1-ND2 3.22Å; D9-N11 VanDerWaalsContact OD1-ND2 3.15Å; D9-N11 PolarHBondContact OD2-ND2 2.96Å; D9-I12 WeakPolarHBondContact O-CB 3.09Å; D9-I12 WeakPolarHBondContact O-CG2 3.42Å; D9-I12 PolarHBondContact O-N 3.08Å; D9-I12 VanDerWaalsContact O-N 3.08Å | ||
| 10 | S | 83 | Confident | 76.9 | Confident | 85 Ų | 85 | 94.7 Ų | 94.7 | 59% | 0.594 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -27 | 179.2 | -68.8 | 0 | 0 | 0 | 0 | 112.5 | L8 I12 R13 | L8-S10 PolarHBondContact O-N 3.23Å; S10-I12 PolarHBondContact O-N 3.31Å; S10-R13 WeakPolarHBondContact O-CB 3.41Å; S10-R13 PolarHBondContact O-N 3.15Å |
| 11 | N | 86.5 | Confident | 77.5 | Confident | 83 Ų | 83 | 92.1 Ų | 92.1 | 44% | 0.444 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.7 | -27.7 | 177.5 | -68.9 | -39.1 | 0 | 0 | 0 | 112.8 | D9 R13 L14 W15 | D9-N11 PolarHBondContact O-N 3.03Å; D9-N11 VanDerWaalsContact O-N 3.14Å; D9-N11 WeakPolarHBondContact OD1-CB 3.45Å; D9-N11 PolarHBondContact OD1-N 2.96Å; D9-N11 PolarHBondContact OD1-ND2 3.22Å; D9-N11 VanDerWaalsContact OD1-ND2 3.15Å; D9-N11 PolarHBondContact OD2-ND2 2.96Å; N11-R13 PolarHBondContact O-N 3.23Å; N11-R13 VanDerWaalsContact O-N 3.12Å; N11-L14 PolarHBondContact O-N 3.12Å; N11-W15 PolarHBondContact O-N 3.08Å |
| 12 | I | 85.9 | Confident | 80 | Confident | 20 Ų | 20 | 84.2 Ų | 84.2 | 10% | 0.103 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -59.2 | -29 | 178.9 | -156.2 | 160.4 | 0 | 0 | 0 | 112.5 | D9 S10 V16 V17 F135 V136 | D9-I12 WeakPolarHBondContact O-CB 3.09Å; D9-I12 WeakPolarHBondContact O-CG2 3.42Å; D9-I12 PolarHBondContact O-N 3.08Å; D9-I12 VanDerWaalsContact O-N 3.08Å; S10-I12 PolarHBondContact O-N 3.31Å; I12-V16 HydrophobicContact CG1-CB 3.93Å; I12-V16 HydrophobicContact CG1-CG2 3.71Å; I12-V16 WeakPolarHBondContact O-CA 3.34Å; I12-V16 VanDerWaalsContact O-CB 3.31Å; I12-V16 WeakPolarHBondContact O-CB 3.29Å; I12-V16 PolarHBondContact O-N 2.97Å; I12-V17 PolarHBondContact O-N 2.9Å; I12-V17 VanDerWaalsContact O-N 3.13Å; I12-F135 HydrophobicContact CD1-CB 4.24Å; I12-F135 HydrophobicContact CD1-CD1 3.72Å; I12-F135 HydrophobicContact CD1-CG 4.43Å; I12-F135 HydrophobicContact CG1-CD1 4.46Å; I12-V136 WeakPolarHBondContact CD1-O 3.23Å |
| 13 | R | 84.3 | Confident | 81.7 | Confident | 168 Ų | 168 | 82.4 Ų | 82.4 | 63% | 0.634 | 44% | 0.435 | S | S | * | . | I | π-helix | trans | -67.5 | -38.5 | 178.3 | -62.8 | -178 | -179 | -177.8 | 1.8 | 111.6 | S10 N11 V17 L18 | S10-R13 WeakPolarHBondContact O-CB 3.41Å; S10-R13 PolarHBondContact O-N 3.15Å; N11-R13 PolarHBondContact O-N 3.23Å; N11-R13 VanDerWaalsContact O-N 3.12Å; R13-V17 WeakPolarHBondContact O-CB 3.43Å; R13-L18 WeakPolarHBondContact O-CB 3.35Å; R13-L18 PolarHBondContact O-N 3.29Å |
| 14 | L | 87 | Confident | 83.4 | Confident | 110 Ų | 110 | 80.1 Ų | 80.1 | 58% | 0.576 | 41% | 0.411 | S | S | * | . | I | π-helix | trans | -84 | -33.1 | -179.3 | -69.5 | 172.1 | 0 | 0 | 0 | 112.3 | N11 L18 P19 | N11-L14 PolarHBondContact O-N 3.12Å; L14-L18 HydrophobicContact CD2-CD2 4.22Å; L14-P19 VanDerWaalsContact O-CD 3.27Å; L14-P19 WeakPolarHBondContact O-CD 3.49Å |
| 15 | W | 88.8 | Confident | 85 | Confident | 189 Ų | 189 | 76.3 Ų | 76.3 | 72% | 0.716 | 38% | 0.381 | S | S | * | . | I | π-helix | trans | -96.4 | -20.5 | -174 | -69.1 | 106.2 | 0 | 0 | 0 | 114.9 | N11 P19 | N11-W15 PolarHBondContact O-N 3.08Å; W15-P19 WeakPolarHBondContact O-CG 3.45Å |
| 16 | V | 88.7 | Confident | 86.2 | Confident | 7 Ų | 7 | 74.5 Ų | 74.5 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | I | π-helix | trans | -120.3 | -55 | -179.1 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | I12 P19 I20 F132 T137 | I12-V16 HydrophobicContact CG1-CB 3.93Å; I12-V16 HydrophobicContact CG1-CG2 3.71Å; I12-V16 WeakPolarHBondContact O-CA 3.34Å; I12-V16 VanDerWaalsContact O-CB 3.31Å; I12-V16 WeakPolarHBondContact O-CB 3.29Å; I12-V16 PolarHBondContact O-N 2.97Å; V16-P19 WeakPolarHBondContact O-CD 3.31Å; V16-I20 HydrophobicContact CG1-CD1 3.77Å; V16-I20 WeakPolarHBondContact O-CB 3.12Å; V16-I20 WeakPolarHBondContact O-CD1 3.49Å; V16-I20 WeakPolarHBondContact O-CG1 3.45Å; V16-I20 PolarHBondContact O-N 3.13Å; V16-F132 HydrophobicContact CB-CD1 4.18Å; V16-F132 HydrophobicContact CB-CE1 4.3Å; V16-F132 HydrophobicContact CG1-CB 4.16Å; V16-F132 HydrophobicContact CG1-CD1 3.68Å; V16-F132 HydrophobicContact CG1-CE1 4.18Å; V16-F132 HydrophobicContact CG1-CG 3.95Å; V16-F132 HydrophobicContact CG2-CD1 3.79Å; V16-F132 HydrophobicContact CG2-CE1 3.95Å; V16-T137 HydrophobicContact CG1-CG2 4.05Å |
| 17 | V | 91 | Very high | 87.1 | Confident | 25 Ų | 25 | 72.6 Ų | 72.6 | 15% | 0.152 | 36% | 0.363 | C | S | . | . | I | π-helix | trans | -64.4 | -52.8 | -175.1 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | I12 R13 I20 V21 T137 W171 | I12-V17 PolarHBondContact O-N 2.9Å; I12-V17 VanDerWaalsContact O-N 3.13Å; R13-V17 WeakPolarHBondContact O-CB 3.43Å; V17-I20 PolarHBondContact O-N 2.61Å; V17-V21 WeakPolarHBondContact O-CG2 3.44Å; V17-V21 PolarHBondContact O-N 3.22Å; V17-T137 HydrophobicContact CG2-CG2 4.11Å; V17-W171 HydrophobicContact CG1-CZ2 3.59Å |
| 18 | L | 91.2 | Very high | 87.7 | Confident | 83 Ų | 83 | 65.4 Ų | 65.4 | 44% | 0.435 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.2 | -46.8 | -176.6 | 179 | 69.4 | 0 | 0 | 0 | 112.8 | R13 L14 I20 V21 I22 | R13-L18 WeakPolarHBondContact O-CB 3.35Å; R13-L18 PolarHBondContact O-N 3.29Å; L14-L18 HydrophobicContact CD2-CD2 4.22Å; L18-I20 VanDerWaalsContact C-N 3.33Å; L18-I20 PolarHBondContact O-N 3.13Å; L18-V21 PolarHBondContact O-N 2.88Å; L18-I22 HydrophobicContact CD1-CD1 3.96Å; L18-I22 HydrophobicContact CD1-CG1 4.27Å; L18-I22 HydrophobicContact CG-CD1 3.88Å; L18-I22 WeakPolarHBondContact O-CG1 3.27Å; L18-I22 PolarHBondContact O-N 3.16Å |
| 19 | P | 90.6 | Very high | 88.3 | Confident | 39 Ų | 39 | 65.2 Ų | 65.2 | 25% | 0.253 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 176.3 | -28.1 | 39 | 0 | 0 | 0 | 112.8 | L14 W15 V16 I22 I23 | L14-P19 VanDerWaalsContact O-CD 3.27Å; L14-P19 WeakPolarHBondContact O-CD 3.49Å; W15-P19 WeakPolarHBondContact O-CG 3.45Å; V16-P19 WeakPolarHBondContact O-CD 3.31Å; P19-I22 PolarHBondContact O-N 3.24Å; P19-I23 WeakPolarHBondContact O-CB 3.41Å; P19-I23 VanDerWaalsContact O-CG1 3.25Å; P19-I23 WeakPolarHBondContact O-CG1 3.42Å; P19-I23 PolarHBondContact O-N 3.46Å |
| 20 | I | 91.7 | Very high | 88.6 | Confident | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 175.9 | -68.4 | 168.9 | 0 | 0 | 0 | 110.1 | V16 V17 L18 I22 I23 T24 I128 F132 | V16-I20 HydrophobicContact CG1-CD1 3.77Å; V16-I20 WeakPolarHBondContact O-CB 3.12Å; V16-I20 WeakPolarHBondContact O-CD1 3.49Å; V16-I20 WeakPolarHBondContact O-CG1 3.45Å; V16-I20 PolarHBondContact O-N 3.13Å; V17-I20 PolarHBondContact O-N 2.61Å; L18-I20 VanDerWaalsContact C-N 3.33Å; L18-I20 PolarHBondContact O-N 3.13Å; I20-I22 PolarHBondContact O-N 3.5Å; I20-I23 PolarHBondContact O-N 2.85Å; I20-T24 VanDerWaalsContact O-CB 3.29Å; I20-T24 WeakPolarHBondContact O-CB 3.35Å; I20-T24 PolarHBondContact O-N 2.96Å; I20-T24 PolarHBondContact O-OG1 2.8Å; I20-I128 HydrophobicContact CD1-CD1 4.49Å; I20-I128 HydrophobicContact CG1-CD1 4.29Å; I20-I128 HydrophobicContact CG2-CD1 4.04Å; I20-F132 HydrophobicContact CD1-CD2 4.14Å; I20-F132 HydrophobicContact CG1-CD2 4.22Å; I20-F132 HydrophobicContact CG1-CE2 4.18Å |
| 21 | V | 91.2 | Very high | 88.5 | Confident | 40 Ų | 40 | 62.3 Ų | 62.3 | 24% | 0.242 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60 | -47.3 | 179.8 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | V17 L18 T24 F25 W171 | V17-V21 WeakPolarHBondContact O-CG2 3.44Å; V17-V21 PolarHBondContact O-N 3.22Å; L18-V21 PolarHBondContact O-N 2.88Å; V21-T24 PolarHBondContact O-N 3.4Å; V21-F25 WeakPolarHBondContact O-CB 3.45Å; V21-F25 PolarHBondContact O-N 2.94Å; V21-W171 HydrophobicContact CG2-CZ2 3.87Å |
| 22 | I | 92.3 | Very high | 88.4 | Confident | 77 Ų | 77 | 59 Ų | 59 | 40% | 0.395 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.9 | -48.9 | -179.2 | -69.1 | 172.6 | 0 | 0 | 0 | 111.1 | L18 P19 I20 T24 F25 F26 | L18-I22 HydrophobicContact CD1-CD1 3.96Å; L18-I22 HydrophobicContact CD1-CG1 4.27Å; L18-I22 HydrophobicContact CG-CD1 3.88Å; L18-I22 WeakPolarHBondContact O-CG1 3.27Å; L18-I22 PolarHBondContact O-N 3.16Å; P19-I22 PolarHBondContact O-N 3.24Å; I20-I22 PolarHBondContact O-N 3.5Å; I22-T24 VanDerWaalsContact C-N 3.35Å; I22-T24 PolarHBondContact O-N 2.98Å; I22-F25 WeakPolarHBondContact O-CB 3.45Å; I22-F25 PolarHBondContact O-N 3.13Å; I22-F26 HydrophobicContact CG2-CD2 3.67Å; I22-F26 HydrophobicContact CG2-CE2 3.68Å; I22-F26 VanDerWaalsContact O-CD2 3.27Å; I22-F26 WeakPolarHBondContact O-CD2 3.33Å; I22-F26 PolarHBondContact O-N 3.04Å |
| 23 | I | 90.8 | Very high | 88.4 | Confident | 68 Ų | 68 | 64.3 Ų | 64.3 | 35% | 0.349 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 178.9 | -69 | 168.4 | 0 | 0 | 0 | 110.2 | P19 I20 F25 F26 V27 | P19-I23 WeakPolarHBondContact O-CB 3.41Å; P19-I23 VanDerWaalsContact O-CG1 3.25Å; P19-I23 WeakPolarHBondContact O-CG1 3.42Å; P19-I23 PolarHBondContact O-N 3.46Å; I20-I23 PolarHBondContact O-N 2.85Å; I23-F25 VanDerWaalsContact C-N 3.29Å; I23-F25 PolarHBondContact O-N 3.37Å; I23-F26 PolarHBondContact O-N 3.01Å; I23-V27 HydrophobicContact CG2-CG2 4.15Å; I23-V27 WeakPolarHBondContact O-CB 3.35Å; I23-V27 VanDerWaalsContact O-CG2 3.27Å; I23-V27 WeakPolarHBondContact O-CG2 3.16Å; I23-V27 PolarHBondContact O-N 2.87Å |
| 24 | T | 88.2 | Confident | 88.4 | Confident | 6 Ų | 6 | 59.1 Ų | 59.1 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 178.8 | -49 | 0 | 0 | 0 | 0 | 110.5 | I20 V21 I22 G28 Y172 N175 V176 L179 Y183 | I20-T24 VanDerWaalsContact O-CB 3.29Å; I20-T24 WeakPolarHBondContact O-CB 3.35Å; I20-T24 PolarHBondContact O-N 2.96Å; I20-T24 PolarHBondContact O-OG1 2.8Å; V21-T24 PolarHBondContact O-N 3.4Å; I22-T24 VanDerWaalsContact C-N 3.35Å; I22-T24 PolarHBondContact O-N 2.98Å; T24-G28 PolarHBondContact O-N 3.36Å; T24-Y172 HydrophobicContact CG2-CD2 3.94Å; T24-Y172 HydrophobicContact CG2-CE2 3.79Å; T24-Y172 WeakPolarHBondContact OG1-CD2 3.4Å; T24-N175 HydrophobicContact CG2-CB 4Å; T24-V176 HydrophobicContact CG2-CG2 3.87Å; T24-L179 HydrophobicContact CG2-CD1 3.91Å; T24-Y183 PolarHBondContact O-OH 2.98Å |
| 25 | F | 89.5 | Confident | 88.2 | Confident | 50 Ų | 50 | 54.5 Ų | 54.5 | 22% | 0.219 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.9 | -56.8 | 177.7 | 179.9 | -103.6 | 0 | 0 | 0 | 112.3 | V21 I22 I23 G28 M29 L179 I182 Y183 I186 | V21-F25 WeakPolarHBondContact O-CB 3.45Å; V21-F25 PolarHBondContact O-N 2.94Å; I22-F25 WeakPolarHBondContact O-CB 3.45Å; I22-F25 PolarHBondContact O-N 3.13Å; I23-F25 VanDerWaalsContact C-N 3.29Å; I23-F25 PolarHBondContact O-N 3.37Å; F25-G28 PolarHBondContact O-N 3.2Å; F25-M29 HydrophobicContact CD1-SD 4.22Å; F25-M29 HydrophobicContact CE1-CG 4.34Å; F25-M29 HydrophobicContact CE1-SD 3.43Å; F25-M29 WeakPolarHBondContact CE1-SD 3.29Å; F25-M29 HydrophobicContact CZ-CG 4.3Å; F25-M29 HydrophobicContact CZ-SD 3.62Å; F25-M29 PolarHBondContact O-N 3.46Å; F25-M29 VanDerWaalsContact O-N 3.12Å; F25-L179 HydrophobicContact CB-CD1 4.18Å; F25-I182 HydrophobicContact CE2-CG2 4.08Å; F25-Y183 WeakPolarHBondContact CA-OH 3.21Å; F25-Y183 AromaticContact CD2-CE1 3.87Å; F25-Y183 HydrophobicContact CD2-CE1 3.87Å; F25-Y183 HydrophobicContact CE2-CD1 4.48Å; F25-Y183 HydrophobicContact CE2-CE1 4.03Å; F25-Y183 PolarHBondContact O-OH 2.9Å; F25-I186 HydrophobicContact CE2-CD1 3.95Å; F25-I186 HydrophobicContact CZ-CD1 3.89Å |
| 26 | F | 90.8 | Very high | 87.9 | Confident | 116 Ų | 116 | 49.3 Ų | 49.3 | 51% | 0.509 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | -177.8 | -79.6 | -65.6 | 0 | 0 | 0 | 113.1 | I22 I23 G28 M29 I30 | I22-F26 HydrophobicContact CG2-CD2 3.67Å; I22-F26 HydrophobicContact CG2-CE2 3.68Å; I22-F26 VanDerWaalsContact O-CD2 3.27Å; I22-F26 WeakPolarHBondContact O-CD2 3.33Å; I22-F26 PolarHBondContact O-N 3.04Å; I23-F26 PolarHBondContact O-N 3.01Å; F26-G28 VanDerWaalsContact C-N 3.28Å; F26-G28 PolarHBondContact O-N 3.23Å; F26-M29 WeakPolarHBondContact O-CB 3.49Å; F26-M29 PolarHBondContact O-N 2.58Å; F26-M29 VanDerWaalsContact O-N 3.16Å; F26-I30 WeakPolarHBondContact O-CG1 3.25Å; F26-I30 PolarHBondContact O-N 3.43Å |
| 27 | V | 87.6 | Confident | 87.5 | Confident | 42 Ų | 42 | 56 Ų | 56 | 26% | 0.255 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.8 | -36.3 | 176.7 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | I23 M29 I30 R31 P120 I124 | I23-V27 HydrophobicContact CG2-CG2 4.15Å; I23-V27 WeakPolarHBondContact O-CB 3.35Å; I23-V27 VanDerWaalsContact O-CG2 3.27Å; I23-V27 WeakPolarHBondContact O-CG2 3.16Å; I23-V27 PolarHBondContact O-N 2.87Å; V27-M29 VanDerWaalsContact C-N 3.35Å; V27-I30 PolarHBondContact O-N 3.4Å; V27-R31 VanDerWaalsContact O-CB 3.25Å; V27-R31 WeakPolarHBondContact O-CB 3.3Å; V27-R31 PolarHBondContact O-N 3.45Å; V27-P120 HydrophobicContact CG1-CB 4.12Å; V27-I124 HydrophobicContact CB-CD1 3.74Å; V27-I124 HydrophobicContact CG1-CD1 3.48Å; V27-I124 VanDerWaalsContact CG1-CD1 3.48Å; V27-I124 HydrophobicContact CG1-CG1 4.41Å; V27-I124 HydrophobicContact CG2-CD1 3.99Å; V27-I124 HydrophobicContact CG2-CG1 4.48Å |
| 28 | G | 85.9 | Confident | 87 | Confident | 10 Ų | 10 | 58.6 Ų | 58.6 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.9 | -38 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T24 F25 F26 H32 Y183 | T24-G28 PolarHBondContact O-N 3.36Å; F25-G28 PolarHBondContact O-N 3.2Å; F26-G28 VanDerWaalsContact C-N 3.28Å; F26-G28 PolarHBondContact O-N 3.23Å; G28-H32 PolarHBondContact O-N 3.34Å; G28-Y183 WeakPolarHBondContact CA-OH 3.43Å |
| 29 | M | 86.6 | Confident | 86 | Confident | 46 Ų | 46 | 60.7 Ų | 60.7 | 23% | 0.227 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.6 | -48 | 172.3 | -68.9 | -173.9 | 67.1 | 0 | 0 | 112.1 | F25 F26 V27 R31 H32 Y33 Y183 | F25-M29 HydrophobicContact CD1-SD 4.22Å; F25-M29 HydrophobicContact CE1-CG 4.34Å; F25-M29 HydrophobicContact CE1-SD 3.43Å; F25-M29 WeakPolarHBondContact CE1-SD 3.29Å; F25-M29 HydrophobicContact CZ-CG 4.3Å; F25-M29 HydrophobicContact CZ-SD 3.62Å; F25-M29 PolarHBondContact O-N 3.46Å; F25-M29 VanDerWaalsContact O-N 3.12Å; F26-M29 WeakPolarHBondContact O-CB 3.49Å; F26-M29 PolarHBondContact O-N 2.58Å; F26-M29 VanDerWaalsContact O-N 3.16Å; V27-M29 VanDerWaalsContact C-N 3.35Å; M29-R31 VanDerWaalsContact C-N 3.31Å; M29-R31 PolarHBondContact O-N 2.88Å; M29-H32 WeakPolarHBondContact O-CB 3.35Å; M29-H32 PolarHBondContact O-N 2.83Å; M29-Y33 HydrophobicContact CE-CE2 4.47Å; M29-Y33 WeakPolarHBondContact O-CD2 3.32Å; M29-Y33 PolarHBondContact O-N 3.46Å; M29-Y183 HydrophobicContact CG-CE1 4.34Å |
| 30 | I | 87.8 | Confident | 84.7 | Confident | 105 Ų | 105 | 62.7 Ų | 62.7 | 54% | 0.538 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 177.6 | -67.9 | 166.5 | 0 | 0 | 0 | 110 | F26 V27 H32 Y33 V34 | F26-I30 WeakPolarHBondContact O-CG1 3.25Å; F26-I30 PolarHBondContact O-N 3.43Å; V27-I30 PolarHBondContact O-N 3.4Å; I30-H32 VanDerWaalsContact C-N 3.3Å; I30-H32 PolarHBondContact O-N 2.68Å; I30-Y33 PolarHBondContact O-N 2.95Å; I30-V34 HydrophobicContact CG2-CG2 4.04Å; I30-V34 WeakPolarHBondContact O-CB 3.36Å; I30-V34 VanDerWaalsContact O-CG2 3.27Å; I30-V34 WeakPolarHBondContact O-CG2 3.39Å; I30-V34 PolarHBondContact O-N 3.21Å |
| 31 | R | 82.8 | Confident | 83.2 | Confident | 20 Ų | 20 | 70.2 Ų | 70.2 | 8% | 0.075 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -54.8 | -46.7 | 175.9 | 171.5 | -172.3 | 161.7 | 142.7 | -8.1 | 111.3 | V27 M29 Y33 V34 S35 N117 A192 | V27-R31 VanDerWaalsContact O-CB 3.25Å; V27-R31 WeakPolarHBondContact O-CB 3.3Å; V27-R31 PolarHBondContact O-N 3.45Å; M29-R31 VanDerWaalsContact C-N 3.31Å; M29-R31 PolarHBondContact O-N 2.88Å; R31-Y33 PolarHBondContact O-N 2.96Å; R31-V34 PolarHBondContact O-N 3.02Å; R31-S35 VanDerWaalsContact O-CB 3.27Å; R31-S35 WeakPolarHBondContact O-CB 3.41Å; R31-S35 PolarHBondContact O-N 3.29Å; R31-N117 PolarHBondContact NH1-O 3.48Å; R31-N117 PolarHBondContact NH2-OD1 3.37Å; R31-A192 PolarHBondContact NE-O 3.38Å; R31-A192 PolarHBondContact NH2-O 3.03Å |
| 32 | H | 83.8 | Confident | 81.7 | Confident | 15 Ų | 15 | 74.4 Ų | 74.4 | 7% | 0.069 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.8 | -49.5 | -179.7 | 172.6 | 77.4 | 0 | 0 | 0 | 111.5 | G28 M29 I30 S35 I36 L187 | G28-H32 PolarHBondContact O-N 3.34Å; M29-H32 WeakPolarHBondContact O-CB 3.35Å; M29-H32 PolarHBondContact O-N 2.83Å; I30-H32 VanDerWaalsContact C-N 3.3Å; I30-H32 PolarHBondContact O-N 2.68Å; H32-S35 PolarHBondContact O-N 3.2Å; H32-I36 VanDerWaalsContact NE2-CD1 3.29Å; H32-I36 WeakPolarHBondContact NE2-CD1 3.42Å; H32-I36 WeakPolarHBondContact O-CG1 3.42Å; H32-I36 PolarHBondContact O-N 3.22Å; H32-L187 HydrophobicContact CB-CD1 3.8Å |
| 33 | Y | 85.4 | Confident | 80 | Confident | 130 Ų | 130 | 80.3 Ų | 80.3 | 51% | 0.51 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 178.6 | -69.8 | -64.8 | 0 | 0 | 0 | 113 | M29 I30 R31 S35 I36 L37 | M29-Y33 HydrophobicContact CE-CE2 4.47Å; M29-Y33 WeakPolarHBondContact O-CD2 3.32Å; M29-Y33 PolarHBondContact O-N 3.46Å; I30-Y33 PolarHBondContact O-N 2.95Å; R31-Y33 PolarHBondContact O-N 2.96Å; Y33-S35 VanDerWaalsContact C-N 3.27Å; Y33-S35 PolarHBondContact O-N 3.04Å; Y33-I36 PolarHBondContact O-N 2.79Å; Y33-L37 VanDerWaalsContact O-CG 3.3Å; Y33-L37 WeakPolarHBondContact O-CG 3.49Å; Y33-L37 PolarHBondContact O-N 2.97Å |
| 34 | V | 85.2 | Confident | 78.7 | Confident | 59 Ų | 59 | 81.5 Ų | 81.5 | 36% | 0.358 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 174.2 | 168.3 | 0 | 0 | 0 | 0 | 110.9 | I30 R31 L37 L38 | I30-V34 HydrophobicContact CG2-CG2 4.04Å; I30-V34 WeakPolarHBondContact O-CB 3.36Å; I30-V34 VanDerWaalsContact O-CG2 3.27Å; I30-V34 WeakPolarHBondContact O-CG2 3.39Å; I30-V34 PolarHBondContact O-N 3.21Å; R31-V34 PolarHBondContact O-N 3.02Å; V34-L37 PolarHBondContact O-N 3.13Å; V34-L38 HydrophobicContact CG1-CD1 3.59Å; V34-L38 WeakPolarHBondContact O-CB 3.27Å; V34-L38 WeakPolarHBondContact O-CG 3.43Å; V34-L38 PolarHBondContact O-N 3.4Å |
| 35 | S | 82.3 | Confident | 78 | Confident | 13 Ų | 13 | 85 Ų | 85 | 9% | 0.091 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 176.8 | -174 | 0 | 0 | 0 | 0 | 111.5 | R31 H32 Y33 L37 L38 Q39 A192 | R31-S35 VanDerWaalsContact O-CB 3.27Å; R31-S35 WeakPolarHBondContact O-CB 3.41Å; R31-S35 PolarHBondContact O-N 3.29Å; H32-S35 PolarHBondContact O-N 3.2Å; Y33-S35 VanDerWaalsContact C-N 3.27Å; Y33-S35 PolarHBondContact O-N 3.04Å; S35-L37 VanDerWaalsContact C-N 3.3Å; S35-L37 PolarHBondContact O-N 2.85Å; S35-L38 CarbonylContact O-C 3.27Å; S35-L38 PolarHBondContact O-N 2.75Å; S35-L38 VanDerWaalsContact O-N 3.16Å; S35-Q39 VanDerWaalsContact O-CG 3.29Å; S35-Q39 WeakPolarHBondContact O-CG 3.41Å; S35-Q39 PolarHBondContact O-N 3.39Å; S35-A192 VanDerWaalsContact CB-CB 3.48Å; S35-A192 WeakPolarHBondContact OG-CB 3.46Å |
| 36 | I | 81.7 | Confident | 77.5 | Confident | 80 Ų | 80 | 91 Ų | 91 | 41% | 0.41 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 173.5 | -69.3 | 168.6 | 0 | 0 | 0 | 110.9 | H32 Y33 L38 Q39 | H32-I36 VanDerWaalsContact NE2-CD1 3.29Å; H32-I36 WeakPolarHBondContact NE2-CD1 3.42Å; H32-I36 WeakPolarHBondContact O-CG1 3.42Å; H32-I36 PolarHBondContact O-N 3.22Å; Y33-I36 PolarHBondContact O-N 2.79Å; I36-L38 VanDerWaalsContact C-N 3.28Å; I36-L38 PolarHBondContact O-N 3.01Å; I36-Q39 PolarHBondContact O-N 3.39Å |
| 37 | L | 81.8 | Confident | 76.9 | Confident | 148 Ų | 148 | 89.6 Ų | 89.6 | 78% | 0.775 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.2 | -30 | 178.6 | -71.7 | 168.3 | 0 | 0 | 0 | 113.1 | Y33 V34 S35 | Y33-L37 VanDerWaalsContact O-CG 3.3Å; Y33-L37 WeakPolarHBondContact O-CG 3.49Å; Y33-L37 PolarHBondContact O-N 2.97Å; V34-L37 PolarHBondContact O-N 3.13Å; S35-L37 VanDerWaalsContact C-N 3.3Å; S35-L37 PolarHBondContact O-N 2.85Å |
| 38 | L | 78.9 | Confident | 76.5 | Confident | 79 Ų | 79 | 91.6 Ų | 91.6 | 41% | 0.414 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -91.8 | -15 | 179.6 | -75.4 | 163.2 | 0 | 0 | 0 | 113.3 | V34 S35 I36 S40 T116 | V34-L38 HydrophobicContact CG1-CD1 3.59Å; V34-L38 WeakPolarHBondContact O-CB 3.27Å; V34-L38 WeakPolarHBondContact O-CG 3.43Å; V34-L38 PolarHBondContact O-N 3.4Å; S35-L38 CarbonylContact O-C 3.27Å; S35-L38 PolarHBondContact O-N 2.75Å; S35-L38 VanDerWaalsContact O-N 3.16Å; I36-L38 VanDerWaalsContact C-N 3.28Å; I36-L38 PolarHBondContact O-N 3.01Å; L38-S40 PolarHBondContact O-N 3.46Å; L38-T116 HydrophobicContact CD1-CG2 3.29Å |
| 39 | Q | 70.7 | Confident | 76.2 | Confident | 127 Ų | 127 | 93.9 Ų | 93.9 | 59% | 0.593 | 47% | 0.47 | S | S | * | . | trans | -63.6 | 105.7 | 173.1 | -84.4 | 175.1 | 8 | 0 | 0 | 108.4 | S35 I36 | S35-Q39 VanDerWaalsContact O-CG 3.29Å; S35-Q39 WeakPolarHBondContact O-CG 3.41Å; S35-Q39 PolarHBondContact O-N 3.39Å; I36-Q39 PolarHBondContact O-N 3.39Å | ||
| 40 | S | 63.9 | Low | 76.1 | Confident | 81 Ų | 81 | 94.2 Ų | 94.2 | 57% | 0.566 | 48% | 0.477 | S | S | * | . | trans | -91.8 | 130.9 | 169.5 | -57 | 0 | 0 | 0 | 0 | 108 | L38 K42 | L38-S40 PolarHBondContact O-N 3.46Å; S40-K42 VanDerWaalsContact C-N 3.34Å; S40-K42 PolarHBondContact O-N 3.21Å | ||
| 41 | D | 60.9 | Low | 76 | Confident | 163 Ų | 163 | 89.5 Ų | 89.5 | 87% | 0.872 | 45% | 0.453 | S | S | * | . | trans | -63.1 | 95 | 170.9 | -74 | -49 | 0 | 0 | 0 | 109.3 | K43 | D41-K43 PolarHBondContact O-N 3.46Š| ||
| 42 | K | 58.2 | Low | 76.1 | Confident | 128 Ų | 128 | 89 Ų | 89 | 56% | 0.557 | 45% | 0.453 | S | S | * | . | trans | -67.9 | 104.7 | 172.9 | -67.9 | -175.2 | -179 | -179.5 | 0 | 107.8 | S40 L44 | S40-K42 VanDerWaalsContact C-N 3.34Å; S40-K42 PolarHBondContact O-N 3.21Å; K42-L44 PolarHBondContact O-N 2.9Å | ||
| 43 | K | 56.6 | Low | 76.3 | Confident | 201 Ų | 201 | 93 Ų | 93 | 87% | 0.874 | 47% | 0.471 | S | S | * | . | trans | -69.8 | 86.8 | 161.1 | -65.8 | -173.5 | -178.6 | -177.2 | 0 | 107.1 | D41 T45 | D41-K43 PolarHBondContact O-N 3.46Å; K43-T45 PolarHBondContact O-N 3.19Å | ||
| 44 | L | 64.3 | Low | 76.5 | Confident | 93 Ų | 93 | 87.1 Ų | 87.1 | 49% | 0.487 | 45% | 0.449 | S | S | . | . | trans | -52.6 | 132.3 | 165.7 | -70.4 | 173.5 | 0 | 0 | 0 | 107.4 | K42 Q46 V49 | K42-L44 PolarHBondContact O-N 2.9Å; L44-Q46 PolarHBondContact O-N 3.28Å; L44-V49 HydrophobicContact CB-CG2 3.55Å; L44-V49 HydrophobicContact CD1-CG2 3.88Å; L44-V49 HydrophobicContact CG-CG2 4.37Å | ||
| 45 | T | 72.8 | Confident | 76.7 | Confident | 80 Ų | 80 | 85.2 Ų | 85.2 | 49% | 0.491 | 44% | 0.437 | S | S | . | . | trans | -58.6 | 129.7 | 174.3 | -54.9 | 0 | 0 | 0 | 0 | 107.2 | K43 E47 Q48 V49 | K43-T45 PolarHBondContact O-N 3.19Å; T45-E47 HydrophobicContact CG2-CB 3.89Å; T45-E47 PolarHBondContact O-N 3.35Å; T45-Q48 WeakPolarHBondContact O-CB 3.25Å; T45-Q48 PolarHBondContact O-N 3.44Å; T45-V49 PolarHBondContact O-N 3.17Å | ||
| 46 | Q | 78.7 | Confident | 77.1 | Confident | 175 Ų | 175 | 88.1 Ų | 88.1 | 82% | 0.818 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -48.1 | -33.2 | -179.5 | -178 | -179.1 | -3.8 | 0 | 0 | 112.3 | L44 S50 | L44-Q46 PolarHBondContact O-N 3.28Å; Q46-S50 WeakPolarHBondContact O-CB 3.32Å; Q46-S50 PolarHBondContact O-N 2.9Å |
| 47 | E | 79.7 | Confident | 77.6 | Confident | 87 Ų | 87 | 91 Ų | 91 | 41% | 0.407 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.3 | -48.9 | 174.2 | -168.3 | 170.7 | -176.6 | 0 | 0 | 113.8 | T45 V49 S50 D51 R93 | T45-E47 HydrophobicContact CG2-CB 3.89Å; T45-E47 PolarHBondContact O-N 3.35Å; E47-V49 VanDerWaalsContact C-N 3.33Å; E47-V49 PolarHBondContact O-N 3.31Å; E47-S50 WeakPolarHBondContact O-CB 3.4Å; E47-S50 PolarHBondContact O-N 2.79Å; E47-D51 PolarHBondContact O-N 2.71Å; E47-R93 WeakPolarHBondContact OE1-CD 3.32Å; E47-R93 IonicContact OE1-CZ 2.7Å; E47-R93 IonicContact OE1-NE 2.88Å; E47-R93 PolarHBondContact OE1-NE 3.45Å; E47-R93 IonicContact OE1-NH1 2.61Å; E47-R93 PolarHBondContact OE1-NH1 3.17Å |
| 48 | Q | 77.4 | Confident | 78 | Confident | 84 Ų | 84 | 84 Ų | 84 | 39% | 0.393 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | -179.6 | -68 | 174.5 | -38.2 | 0 | 0 | 111.5 | T45 D51 S52 | T45-Q48 WeakPolarHBondContact O-CB 3.25Å; T45-Q48 PolarHBondContact O-N 3.44Å; Q48-D51 PolarHBondContact O-N 3.32Å; Q48-S52 PolarHBondContact O-N 2.89Å; Q48-S52 PolarHBondContact O-OG 3.3Å |
| 49 | V | 80.5 | Confident | 78.6 | Confident | 57 Ų | 57 | 85.3 Ų | 85.3 | 35% | 0.345 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 175.8 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | L44 T45 E47 S52 Q53 | L44-V49 HydrophobicContact CB-CG2 3.55Å; L44-V49 HydrophobicContact CD1-CG2 3.88Å; L44-V49 HydrophobicContact CG-CG2 4.37Å; T45-V49 PolarHBondContact O-N 3.17Å; E47-V49 VanDerWaalsContact C-N 3.33Å; E47-V49 PolarHBondContact O-N 3.31Å; V49-S52 PolarHBondContact O-OG 3.36Å; V49-Q53 HydrophobicContact CG1-CG 4.44Å; V49-Q53 WeakPolarHBondContact O-CB 2.98Å; V49-Q53 WeakPolarHBondContact O-CG 3.39Å; V49-Q53 PolarHBondContact O-N 3.27Å; V49-Q53 VanDerWaalsContact O-N 3.09Å |
| 50 | S | 84.7 | Confident | 79.6 | Confident | 54 Ų | 54 | 82.6 Ų | 82.6 | 38% | 0.378 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 176.5 | -173 | 0 | 0 | 0 | 0 | 111.4 | Q46 E47 Q53 V54 | Q46-S50 WeakPolarHBondContact O-CB 3.32Å; Q46-S50 PolarHBondContact O-N 2.9Å; E47-S50 WeakPolarHBondContact O-CB 3.4Å; E47-S50 PolarHBondContact O-N 2.79Å; S50-Q53 PolarHBondContact O-N 2.89Å; S50-V54 VanDerWaalsContact O-CG2 3.3Å; S50-V54 WeakPolarHBondContact O-CG2 3.39Å; S50-V54 PolarHBondContact O-N 3.19Å |
| 51 | D | 85.8 | Confident | 81 | Confident | 5 Ų | 5 | 79.2 Ų | 79.2 | 3% | 0.027 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.9 | -46 | -179.2 | -70.2 | -15.6 | 0 | 0 | 0 | 112.3 | E47 Q48 Q53 V54 L55 R93 M210 F218 | E47-D51 PolarHBondContact O-N 2.71Å; Q48-D51 PolarHBondContact O-N 3.32Å; D51-Q53 VanDerWaalsContact C-N 3.3Å; D51-Q53 PolarHBondContact O-N 3.28Å; D51-V54 PolarHBondContact O-N 2.82Å; D51-L55 WeakPolarHBondContact O-CG 3.49Å; D51-L55 PolarHBondContact O-N 3.46Å; D51-R93 IonicContact OD1-CZ 3.45Å; D51-R93 IonicContact OD1-NE 2.66Å; D51-R93 PolarHBondContact OD1-NE 2.79Å; D51-R93 IonicContact OD1-NH2 3.97Å; D51-R93 PolarHBondContact OD1-NH2 3.37Å; D51-R93 WeakPolarHBondContact OD2-CD 3.21Å; D51-R93 WeakPolarHBondContact OD2-CG 3.5Å; D51-R93 IonicContact OD2-CZ 2.65Å; D51-R93 IonicContact OD2-NE 3.14Å; D51-R93 PolarHBondContact OD2-NE 3.08Å; D51-R93 IonicContact OD2-NH2 3.33Å; D51-M210 HydrophobicContact CB-CE 3.53Å; D51-F218 HydrophobicContact CB-CE1 4.36Å; D51-F218 HydrophobicContact CB-CZ 4.03Å |
| 52 | S | 84.2 | Confident | 82.4 | Confident | 11 Ų | 11 | 74.7 Ų | 74.7 | 8% | 0.077 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 177.9 | 69.1 | 0 | 0 | 0 | 0 | 111.4 | Q48 V49 L55 I56 | Q48-S52 PolarHBondContact O-N 2.89Å; Q48-S52 PolarHBondContact O-OG 3.3Å; V49-S52 PolarHBondContact O-OG 3.36Å; S52-L55 PolarHBondContact O-N 2.91Å; S52-I56 VanDerWaalsContact O-CG1 3.27Å; S52-I56 WeakPolarHBondContact O-CG1 3.42Å; S52-I56 PolarHBondContact O-N 3.47Å |
| 53 | Q | 87.8 | Confident | 84 | Confident | 98 Ų | 98 | 74.5 Ų | 74.5 | 46% | 0.458 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 177.5 | -70.6 | -63.7 | -17.9 | 0 | 0 | 112.7 | V49 S50 D51 I56 R57 | V49-Q53 HydrophobicContact CG1-CG 4.44Å; V49-Q53 WeakPolarHBondContact O-CB 2.98Å; V49-Q53 WeakPolarHBondContact O-CG 3.39Å; V49-Q53 PolarHBondContact O-N 3.27Å; V49-Q53 VanDerWaalsContact O-N 3.09Å; S50-Q53 PolarHBondContact O-N 2.89Å; D51-Q53 VanDerWaalsContact C-N 3.3Å; D51-Q53 PolarHBondContact O-N 3.28Å; Q53-I56 PolarHBondContact O-N 3.29Å; Q53-R57 WeakPolarHBondContact O-CB 3.28Å; Q53-R57 WeakPolarHBondContact O-CG 3.48Å; Q53-R57 PolarHBondContact O-N 2.9Å |
| 54 | V | 90.1 | Very high | 85.7 | Confident | 7 Ų | 7 | 68.1 Ų | 68.1 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 175.6 | 169 | 0 | 0 | 0 | 0 | 110.6 | S50 D51 R57 S58 F80 F87 F88 | S50-V54 VanDerWaalsContact O-CG2 3.3Å; S50-V54 WeakPolarHBondContact O-CG2 3.39Å; S50-V54 PolarHBondContact O-N 3.19Å; D51-V54 PolarHBondContact O-N 2.82Å; V54-R57 PolarHBondContact O-N 3.39Å; V54-S58 PolarHBondContact O-N 3.44Å; V54-F80 HydrophobicContact CG1-CD1 4.24Å; V54-F80 HydrophobicContact CG1-CE1 3.75Å; V54-F87 HydrophobicContact CB-CD1 4.44Å; V54-F87 HydrophobicContact CB-CE1 3.92Å; V54-F87 HydrophobicContact CB-CZ 4.23Å; V54-F87 HydrophobicContact CG1-CD1 3.37Å; V54-F87 HydrophobicContact CG1-CE1 3.28Å; V54-F87 HydrophobicContact CG1-CG 4.17Å; V54-F87 HydrophobicContact CG1-CZ 3.99Å; V54-F87 HydrophobicContact CG2-CE1 3.92Å; V54-F87 HydrophobicContact CG2-CE2 4.19Å; V54-F87 HydrophobicContact CG2-CZ 3.73Å; V54-F88 HydrophobicContact CG1-CD1 4.5Å; V54-F88 HydrophobicContact CG1-CE1 3.65Å; V54-F88 HydrophobicContact CG1-CZ 4.13Å |
| 55 | L | 90.1 | Very high | 86.9 | Confident | 18 Ų | 18 | 63.9 Ų | 63.9 | 9% | 0.094 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 176.3 | -66 | 177.8 | 0 | 0 | 0 | 112.1 | D51 S52 R57 S58 R59 F88 M210 A217 F218 E221 | D51-L55 WeakPolarHBondContact O-CG 3.49Å; D51-L55 PolarHBondContact O-N 3.46Å; S52-L55 PolarHBondContact O-N 2.91Å; L55-R57 VanDerWaalsContact C-N 3.33Å; L55-R57 PolarHBondContact O-N 3.23Å; L55-S58 PolarHBondContact O-N 2.85Å; L55-R59 PolarHBondContact O-N 3.4Å; L55-F88 HydrophobicContact CD2-CE1 3.97Å; L55-F88 HydrophobicContact CD2-CZ 4.46Å; L55-M210 HydrophobicContact CD1-CE 4.09Å; L55-M210 HydrophobicContact CD1-SD 4.43Å; L55-A217 HydrophobicContact CD1-CB 4.04Å; L55-F218 HydrophobicContact CD1-CE1 4.38Å; L55-F218 HydrophobicContact CD2-CD1 3.55Å; L55-F218 HydrophobicContact CD2-CE1 3.79Å; L55-F218 HydrophobicContact CG-CD1 4.29Å; L55-F218 HydrophobicContact CG-CE1 4.04Å; L55-E221 HydrophobicContact CD2-CB 4.23Å; L55-E221 HydrophobicContact CD2-CG 3.78Å |
| 56 | I | 90 | Very high | 87.7 | Confident | 74 Ų | 74 | 64.3 Ų | 64.3 | 38% | 0.379 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 175.3 | -68.1 | 164.3 | 0 | 0 | 0 | 110.3 | S52 Q53 S58 R59 V60 | S52-I56 VanDerWaalsContact O-CG1 3.27Å; S52-I56 WeakPolarHBondContact O-CG1 3.42Å; S52-I56 PolarHBondContact O-N 3.47Å; Q53-I56 PolarHBondContact O-N 3.29Å; I56-S58 VanDerWaalsContact C-N 3.34Å; I56-S58 PolarHBondContact O-N 3.11Å; I56-R59 PolarHBondContact O-N 3.25Å; I56-V60 HydrophobicContact CG2-CG2 4.15Å; I56-V60 WeakPolarHBondContact O-CB 3.36Å; I56-V60 VanDerWaalsContact O-CG2 3.28Å; I56-V60 WeakPolarHBondContact O-CG2 3.36Å; I56-V60 PolarHBondContact O-N 2.84Å |
| 57 | R | 91.4 | Very high | 88.3 | Confident | 141 Ų | 141 | 62.7 Ų | 62.7 | 53% | 0.532 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 178.8 | -73.4 | 173.3 | 68.9 | -167.3 | 0.4 | 112.6 | Q53 V54 L55 L61 F80 | Q53-R57 WeakPolarHBondContact O-CB 3.28Å; Q53-R57 WeakPolarHBondContact O-CG 3.48Å; Q53-R57 PolarHBondContact O-N 2.9Å; V54-R57 PolarHBondContact O-N 3.39Å; L55-R57 VanDerWaalsContact C-N 3.33Å; L55-R57 PolarHBondContact O-N 3.23Å; R57-L61 WeakPolarHBondContact O-CB 3.31Å; R57-L61 PolarHBondContact O-N 2.86Å; R57-F80 HydrophobicContact CB-CZ 4.06Å |
| 58 | S | 91.3 | Very high | 89 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64 | -46.6 | 173.3 | 171 | 0 | 0 | 0 | 0 | 111.7 | V54 L55 I56 V60 L61 R62 E221 | V54-S58 PolarHBondContact O-N 3.44Å; L55-S58 PolarHBondContact O-N 2.85Å; I56-S58 VanDerWaalsContact C-N 3.34Å; I56-S58 PolarHBondContact O-N 3.11Å; S58-V60 PolarHBondContact O-N 3.21Å; S58-L61 WeakPolarHBondContact O-CB 3.38Å; S58-L61 PolarHBondContact O-N 3.35Å; S58-R62 WeakPolarHBondContact O-CG 3.19Å; S58-R62 PolarHBondContact O-N 2.92Å; S58-E221 PolarHBondContact OG-OE2 3.41Å |
| 59 | R | 91.1 | Very high | 89.7 | Confident | 107 Ų | 107 | 59.1 Ų | 59.1 | 40% | 0.404 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.6 | -48.4 | 176.2 | -174.2 | -177.9 | -60.8 | 176.7 | 0.8 | 112.2 | L55 I56 L61 R62 E63 | L55-R59 PolarHBondContact O-N 3.4Å; I56-R59 PolarHBondContact O-N 3.25Å; R59-L61 VanDerWaalsContact C-N 3.27Å; R59-L61 PolarHBondContact O-N 3.09Å; R59-R62 PolarHBondContact O-N 2.94Å; R59-E63 WeakPolarHBondContact CD-OE1 3.21Å; R59-E63 HydrophobicContact CG-CG 4.33Å; R59-E63 VanDerWaalsContact CG-OE1 3.27Å; R59-E63 WeakPolarHBondContact CG-OE1 3.19Å; R59-E63 PolarHBondContact O-N 3.04Å |
| 60 | V | 91.7 | Very high | 90.2 | Very high | 71 Ų | 71 | 62.7 Ų | 62.7 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.2 | -39.1 | 177.7 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | I56 S58 R62 N64 | I56-V60 HydrophobicContact CG2-CG2 4.15Å; I56-V60 WeakPolarHBondContact O-CB 3.36Å; I56-V60 VanDerWaalsContact O-CG2 3.28Å; I56-V60 WeakPolarHBondContact O-CG2 3.36Å; I56-V60 PolarHBondContact O-N 2.84Å; S58-V60 PolarHBondContact O-N 3.21Å; V60-R62 VanDerWaalsContact C-N 3.3Å; V60-R62 PolarHBondContact O-N 3.12Å; V60-N64 HydrophobicContact CG1-CB 4.43Å; V60-N64 WeakPolarHBondContact O-CA 3.49Å; V60-N64 VanDerWaalsContact O-CB 3.28Å; V60-N64 WeakPolarHBondContact O-CB 3.38Å; V60-N64 PolarHBondContact O-N 3.42Å |
| 61 | L | 92.8 | Very high | 90.7 | Very high | 10 Ų | 10 | 66.9 Ų | 66.9 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 175.4 | -178.8 | 63.9 | 0 | 0 | 0 | 112.2 | R57 S58 R59 G65 I68 F73 R76 F80 L225 | R57-L61 WeakPolarHBondContact O-CB 3.31Å; R57-L61 PolarHBondContact O-N 2.86Å; S58-L61 WeakPolarHBondContact O-CB 3.38Å; S58-L61 PolarHBondContact O-N 3.35Å; R59-L61 VanDerWaalsContact C-N 3.27Å; R59-L61 PolarHBondContact O-N 3.09Å; L61-G65 WeakPolarHBondContact O-CA 3.21Å; L61-G65 PolarHBondContact O-N 2.92Å; L61-I68 HydrophobicContact CD1-CD1 3.59Å; L61-F73 HydrophobicContact CD1-CD2 3.63Å; L61-F73 HydrophobicContact CD1-CE2 4.01Å; L61-F73 HydrophobicContact CG-CD2 4.07Å; L61-F73 HydrophobicContact CG-CE2 3.92Å; L61-R76 HydrophobicContact CD1-CB 3.95Å; L61-R76 HydrophobicContact CD2-CB 3.62Å; L61-R76 HydrophobicContact CG-CB 4.46Å; L61-F80 HydrophobicContact CD2-CD2 4.07Å; L61-F80 HydrophobicContact CD2-CE2 4.12Å; L61-L225 HydrophobicContact CD2-CD1 3.95Å; L61-L225 HydrophobicContact CD2-CD2 4.31Å; L61-L225 HydrophobicContact CG-CD1 4.29Å |
| 62 | R | 91.9 | Very high | 91 | Very high | 68 Ų | 68 | 69 Ų | 69 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -71.7 | -48.9 | 177 | -66.5 | -176.5 | -67.3 | 147.1 | -1.1 | 112.3 | S58 R59 V60 E221 L225 T228 | S58-R62 WeakPolarHBondContact O-CG 3.19Å; S58-R62 PolarHBondContact O-N 2.92Å; R59-R62 PolarHBondContact O-N 2.94Å; V60-R62 VanDerWaalsContact C-N 3.3Å; V60-R62 PolarHBondContact O-N 3.12Å; R62-E221 IonicContact CZ-OE1 2.78Å; R62-E221 IonicContact CZ-OE2 3.83Å; R62-E221 VanDerWaalsContact CZ-OE2 3.27Å; R62-E221 IonicContact NE-OE2 3.18Å; R62-E221 PolarHBondContact NE-OE2 3.23Å; R62-E221 IonicContact NH2-OE1 2.87Å; R62-E221 PolarHBondContact NH2-OE1 2.83Å; R62-E221 IonicContact NH2-OE2 3.85Å; R62-E221 PolarHBondContact NH2-OE2 3.49Å; R62-L225 HydrophobicContact CG-CB 4.42Å; R62-L225 HydrophobicContact CG-CD1 3.56Å; R62-T228 HydrophobicContact CB-CG2 4.26Å; R62-T228 WeakPolarHBondContact CD-OG1 3.13Å; R62-T228 HydrophobicContact CG-CG2 4.22Å; R62-T228 WeakPolarHBondContact CG-OG1 3.44Å |
| 63 | E | 90.7 | Very high | 91.6 | Very high | 123 Ų | 123 | 68.6 Ų | 68.6 | 58% | 0.575 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -72.7 | -36 | -175.8 | -68.5 | 174.2 | -177.1 | 0 | 0 | 112.7 | R59 | R59-E63 WeakPolarHBondContact CD-OE1 3.21Å; R59-E63 HydrophobicContact CG-CG 4.33Å; R59-E63 VanDerWaalsContact CG-OE1 3.27Å; R59-E63 WeakPolarHBondContact CG-OE1 3.19Å; R59-E63 PolarHBondContact O-N 3.04Å |
| 64 | N | 92 | Very high | 91.8 | Very high | 67 Ų | 67 | 67.7 Ų | 67.7 | 36% | 0.358 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -115.8 | 12.1 | -173.4 | -60.7 | -73.6 | 0 | 0 | 0 | 113.1 | V60 K66 Y67 | V60-N64 HydrophobicContact CG1-CB 4.43Å; V60-N64 WeakPolarHBondContact O-CA 3.49Å; V60-N64 VanDerWaalsContact O-CB 3.28Å; V60-N64 WeakPolarHBondContact O-CB 3.38Å; V60-N64 PolarHBondContact O-N 3.42Å; N64-K66 PolarHBondContact O-N 3.18Å; N64-Y67 HydrophobicContact CB-CD2 4.07Å; N64-Y67 HydrophobicContact CB-CE2 4.44Å; N64-Y67 PolarHBondContact O-N 2.79Å |
| 65 | G | 90.3 | Very high | 92 | Very high | 4 Ų | 4 | 71.8 Ų | 71.8 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -59.3 | -19.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L61 Y67 I68 H230 | L61-G65 WeakPolarHBondContact O-CA 3.21Å; L61-G65 PolarHBondContact O-N 2.92Å; G65-Y67 VanDerWaalsContact C-N 3.27Å; G65-Y67 PolarHBondContact O-N 3.16Å; G65-I68 VanDerWaalsContact O-CG1 3.25Å; G65-I68 WeakPolarHBondContact O-CG1 3.36Å; G65-I68 PolarHBondContact O-N 3.42Å; G65-H230 PolarHBondContact O-CE1 3.38Å; G65-H230 PolarHBondContact O-ND1 3.39Å; G65-H230 VanDerWaalsContact O-ND1 3.11Å |
| 66 | K | 90.3 | Very high | 92.2 | Very high | 89 Ų | 89 | 77.1 Ų | 77.1 | 39% | 0.387 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -68.9 | -16.9 | 177.8 | 63.3 | 177.2 | 171.9 | 169.6 | 0 | 115.9 | N64 Q231 W232 A233 | N64-K66 PolarHBondContact O-N 3.18Å; K66-Q231 WeakPolarHBondContact CA-O 3.33Å; K66-Q231 WeakPolarHBondContact CB-O 3Å; K66-W232 WeakPolarHBondContact O-CZ3 3.22Å; K66-A233 HydrophobicContact CB-CB 4.14Å; K66-A233 HydrophobicContact CD-CB 4.41Å; K66-A233 HydrophobicContact CG-CB 4.38Å; K66-A233 WeakPolarHBondContact O-CB 3.37Å; K66-A233 PolarHBondContact O-N 3.26Å |
| 67 | Y | 91.6 | Very high | 92.4 | Very high | 142 Ų | 142 | 74.9 Ų | 74.9 | 56% | 0.557 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -99.9 | 1.9 | -179 | -54.2 | -62.7 | 0 | 0 | 0 | 113.8 | N64 G65 W232 A233 | N64-Y67 HydrophobicContact CB-CD2 4.07Å; N64-Y67 HydrophobicContact CB-CE2 4.44Å; N64-Y67 PolarHBondContact O-N 2.79Å; G65-Y67 VanDerWaalsContact C-N 3.27Å; G65-Y67 PolarHBondContact O-N 3.16Å; Y67-W232 VanDerWaalsContact C-CZ3 3.43Å; Y67-A233 HydrophobicContact CD1-CB 4.45Å |
| 68 | I | 92.7 | Very high | 92.5 | Very high | 28 Ų | 28 | 75.1 Ų | 75.1 | 14% | 0.144 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -113.8 | 146.5 | 170.6 | 57.5 | 173.5 | 0 | 0 | 0 | 111.8 | L61 G65 F73 H230 W232 | L61-I68 HydrophobicContact CD1-CD1 3.59Å; G65-I68 VanDerWaalsContact O-CG1 3.25Å; G65-I68 WeakPolarHBondContact O-CG1 3.36Å; G65-I68 PolarHBondContact O-N 3.42Å; I68-F73 HydrophobicContact CD1-CB 3.91Å; I68-F73 HydrophobicContact CD1-CD2 4.3Å; I68-F73 HydrophobicContact CG1-CB 4.13Å; I68-H230 PolarHBondContact O-CE1 2.95Å; I68-H230 PolarHBondContact O-NE2 3.33Å; I68-W232 WeakPolarHBondContact O-CZ3 3.34Å |
| 69 | P | 92.6 | Very high | 92.6 | Very high | 68 Ų | 68 | 80.5 Ų | 80.5 | 44% | 0.442 | 37% | 0.374 | S | S | . | . | trans | -57.1 | 150.4 | 178.7 | -26.1 | 34.6 | 0 | 0 | 0 | 112.5 | Q71 S72 F73 W232 | P69-Q71 VanDerWaalsContact C-N 3.25Å; P69-Q71 PolarHBondContact O-N 2.88Å; P69-Q71 VanDerWaalsContact O-N 3.13Å; P69-S72 WeakPolarHBondContact O-CA 3.4Å; P69-S72 WeakPolarHBondContact O-CB 3.27Å; P69-S72 PolarHBondContact O-N 3.18Å; P69-F73 PolarHBondContact O-N 3.33Å; P69-W232 HydrophobicContact CG-CH2 4.24Å | ||
| 70 | K | 92.1 | Very high | 92.7 | Very high | 132 Ų | 132 | 75.7 Ų | 75.7 | 57% | 0.574 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -48.4 | -44.9 | -179.4 | -173.5 | 172.8 | -178.3 | 172.5 | 0 | 113.6 | S72 F73 L74 H230 | K70-S72 PolarHBondContact O-N 2.89Å; K70-F73 PolarHBondContact O-N 3.25Å; K70-L74 HydrophobicContact CG-CD1 4.14Å; K70-L74 HydrophobicContact CG-CG 4.48Å; K70-L74 VanDerWaalsContact O-CG 3.31Å; K70-L74 WeakPolarHBondContact O-CG 3.27Å; K70-L74 PolarHBondContact O-N 3.34Å; K70-H230 VanDerWaalsContact CA-CD2 3.42Å; K70-H230 WeakPolarHBondContact CA-CD2 3.21Å; K70-H230 VanDerWaalsContact CB-CD2 3.46Å; K70-H230 WeakPolarHBondContact CB-CD2 3.23Å; K70-H230 HydrophobicContact CG-CB 4.48Å; K70-H230 PolarHBondContact N-NE2 3.08Å |
| 71 | Q | 93.6 | Very high | 92.7 | Very high | 142 Ų | 142 | 72.7 Ų | 72.7 | 66% | 0.664 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -58.7 | -47.7 | 177.1 | -69.9 | -65.5 | -26.7 | 0 | 0 | 111.7 | P69 F73 L74 T75 | P69-Q71 VanDerWaalsContact C-N 3.25Å; P69-Q71 PolarHBondContact O-N 2.88Å; P69-Q71 VanDerWaalsContact O-N 3.13Å; Q71-F73 VanDerWaalsContact C-N 3.35Å; Q71-F73 PolarHBondContact O-N 3.22Å; Q71-L74 PolarHBondContact O-N 2.96Å; Q71-T75 PolarHBondContact O-N 3.02Å; Q71-T75 PolarHBondContact O-OG1 2.94Å |
| 72 | S | 93.8 | Very high | 92.5 | Very high | 49 Ų | 49 | 73.1 Ų | 73.1 | 34% | 0.343 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 178.2 | -55.9 | 0 | 0 | 0 | 0 | 112.7 | P69 K70 R76 | P69-S72 WeakPolarHBondContact O-CA 3.4Å; P69-S72 WeakPolarHBondContact O-CB 3.27Å; P69-S72 PolarHBondContact O-N 3.18Å; K70-S72 PolarHBondContact O-N 2.89Å; S72-R76 VanDerWaalsContact O-CG 3.28Å; S72-R76 WeakPolarHBondContact O-CG 3.43Å; S72-R76 PolarHBondContact O-N 2.77Å |
| 73 | F | 95.1 | Very high | 92 | Very high | 3 Ų | 3 | 73.4 Ų | 73.4 | 1% | 0.013 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.3 | -49.4 | 173.3 | 177.9 | -91.9 | 0 | 0 | 0 | 111.1 | L61 I68 P69 K70 Q71 T75 R76 K77 T228 H230 | L61-F73 HydrophobicContact CD1-CD2 3.63Å; L61-F73 HydrophobicContact CD1-CE2 4.01Å; L61-F73 HydrophobicContact CG-CD2 4.07Å; L61-F73 HydrophobicContact CG-CE2 3.92Å; I68-F73 HydrophobicContact CD1-CB 3.91Å; I68-F73 HydrophobicContact CD1-CD2 4.3Å; I68-F73 HydrophobicContact CG1-CB 4.13Å; P69-F73 PolarHBondContact O-N 3.33Å; K70-F73 PolarHBondContact O-N 3.25Å; Q71-F73 VanDerWaalsContact C-N 3.35Å; Q71-F73 PolarHBondContact O-N 3.22Å; F73-T75 PolarHBondContact O-N 3.11Å; F73-R76 PolarHBondContact O-N 3.08Å; F73-K77 HydrophobicContact CE1-CB 4.38Å; F73-K77 HydrophobicContact CE1-CD 3.91Å; F73-K77 HydrophobicContact CZ-CD 4.43Å; F73-K77 WeakPolarHBondContact O-CB 3.47Å; F73-K77 PolarHBondContact O-N 3.12Å; F73-T228 HydrophobicContact CE2-CG2 4.5Å; F73-T228 HydrophobicContact CZ-CG2 4.05Å; F73-H230 HydrophobicContact CB-CB 4.37Å; F73-H230 HydrophobicContact CD1-CB 3.6Å; F73-H230 HydrophobicContact CE1-CB 3.97Å; F73-H230 HydrophobicContact CG-CB 3.97Å; F73-H230 AromaticContact CG-ND1 3.69Å |
| 74 | L | 93.8 | Very high | 91.6 | Very high | 78 Ų | 78 | 75.3 Ų | 75.3 | 41% | 0.408 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | -179.5 | -69.1 | 175.3 | 0 | 0 | 0 | 112.3 | K70 Q71 R76 K77 Y78 | K70-L74 HydrophobicContact CG-CD1 4.14Å; K70-L74 HydrophobicContact CG-CG 4.48Å; K70-L74 VanDerWaalsContact O-CG 3.31Å; K70-L74 WeakPolarHBondContact O-CG 3.27Å; K70-L74 PolarHBondContact O-N 3.34Å; Q71-L74 PolarHBondContact O-N 2.96Å; L74-R76 VanDerWaalsContact C-N 3.33Å; L74-R76 PolarHBondContact O-N 3.05Å; L74-K77 PolarHBondContact O-N 3.31Å; L74-Y78 VanDerWaalsContact O-CB 3.3Å; L74-Y78 WeakPolarHBondContact O-CB 3.29Å; L74-Y78 PolarHBondContact O-N 3.07Å |
| 75 | T | 93.7 | Very high | 91.3 | Very high | 94 Ų | 94 | 76.4 Ų | 76.4 | 58% | 0.577 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.3 | -41.1 | 175 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | Q71 F73 Y78 Y79 | Q71-T75 PolarHBondContact O-N 3.02Å; Q71-T75 PolarHBondContact O-OG1 2.94Å; F73-T75 PolarHBondContact O-N 3.11Å; T75-Y78 PolarHBondContact O-N 2.62Å; T75-Y79 PolarHBondContact O-N 3.25Å; T75-Y79 VanDerWaalsContact O-N 3.14Å |
| 76 | R | 94.7 | Very high | 91.1 | Very high | 129 Ų | 129 | 76.2 Ų | 76.2 | 49% | 0.487 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.8 | -39.8 | 177.5 | -67 | 173.3 | -173.1 | -171.3 | 3.8 | 111.8 | L61 S72 F73 L74 Y78 Y79 F80 | L61-R76 HydrophobicContact CD1-CB 3.95Å; L61-R76 HydrophobicContact CD2-CB 3.62Å; L61-R76 HydrophobicContact CG-CB 4.46Å; S72-R76 VanDerWaalsContact O-CG 3.28Å; S72-R76 WeakPolarHBondContact O-CG 3.43Å; S72-R76 PolarHBondContact O-N 2.77Å; F73-R76 PolarHBondContact O-N 3.08Å; L74-R76 VanDerWaalsContact C-N 3.33Å; L74-R76 PolarHBondContact O-N 3.05Å; R76-Y78 VanDerWaalsContact C-N 3.31Å; R76-Y78 PolarHBondContact O-N 3.4Å; R76-Y79 WeakPolarHBondContact O-CB 3.36Å; R76-Y79 PolarHBondContact O-N 3.25Å; R76-F80 WeakPolarHBondContact O-CD2 3.44Å; R76-F80 PolarHBondContact O-N 3.15Å |
| 77 | K | 93.7 | Very high | 91.1 | Very high | 27 Ų | 27 | 73.5 Ų | 73.5 | 12% | 0.117 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59 | -44.7 | 172.4 | -178.9 | 168.8 | -179.3 | 170.6 | 0 | 110.3 | F73 L74 Y79 F80 N81 L225 E226 T228 | F73-K77 HydrophobicContact CE1-CB 4.38Å; F73-K77 HydrophobicContact CE1-CD 3.91Å; F73-K77 HydrophobicContact CZ-CD 4.43Å; F73-K77 WeakPolarHBondContact O-CB 3.47Å; F73-K77 PolarHBondContact O-N 3.12Å; L74-K77 PolarHBondContact O-N 3.31Å; K77-Y79 PolarHBondContact O-N 3.44Å; K77-F80 PolarHBondContact O-N 2.92Å; K77-N81 WeakPolarHBondContact O-CB 3.4Å; K77-N81 PolarHBondContact O-N 3.15Å; K77-L225 WeakPolarHBondContact CE-O 3.23Å; K77-L225 HydrophobicContact CG-CG 4.21Å; K77-L225 PolarHBondContact NZ-O 3.26Å; K77-L225 VanDerWaalsContact NZ-O 3.16Å; K77-E226 PolarHBondContact NZ-O 3.18Å; K77-T228 PolarHBondContact NZ-O 3.41Å |
| 78 | Y | 92.6 | Very high | 91 | Very high | 147 Ų | 147 | 67 Ų | 67 | 58% | 0.576 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59.6 | -42.7 | 177.3 | -173.6 | -99.7 | 0 | 0 | 0 | 112.6 | L74 T75 R76 F80 N82 | L74-Y78 VanDerWaalsContact O-CB 3.3Å; L74-Y78 WeakPolarHBondContact O-CB 3.29Å; L74-Y78 PolarHBondContact O-N 3.07Å; T75-Y78 PolarHBondContact O-N 2.62Å; R76-Y78 VanDerWaalsContact C-N 3.31Å; R76-Y78 PolarHBondContact O-N 3.4Å; Y78-F80 VanDerWaalsContact C-N 3.26Å; Y78-F80 PolarHBondContact O-N 3.24Å; Y78-N82 HydrophobicContact CD1-CB 4.47Å; Y78-N82 HydrophobicContact CD2-CB 4.15Å; Y78-N82 HydrophobicContact CE1-CB 4.33Å; Y78-N82 HydrophobicContact CE2-CB 4Å; Y78-N82 HydrophobicContact CG-CB 4.39Å; Y78-N82 WeakPolarHBondContact O-CB 3.2Å; Y78-N82 PolarHBondContact O-N 2.77Å; Y78-N82 PolarHBondContact OH-ND2 2.99Å; Y78-N82 VanDerWaalsContact OH-ND2 3.12Å |
| 79 | Y | 93.5 | Very high | 90.6 | Very high | 112 Ų | 112 | 71 Ų | 71 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56 | -39.3 | 176.1 | 173.1 | -97.7 | 0 | 0 | 0 | 113.3 | T75 R76 K77 F87 | T75-Y79 PolarHBondContact O-N 3.25Å; T75-Y79 VanDerWaalsContact O-N 3.14Å; R76-Y79 WeakPolarHBondContact O-CB 3.36Å; R76-Y79 PolarHBondContact O-N 3.25Å; K77-Y79 PolarHBondContact O-N 3.44Å; Y79-F87 HydrophobicContact CE1-CB 4.24Å; Y79-F87 PolarHBondContact O-N 2.82Å |
| 80 | F | 93.6 | Very high | 90.2 | Very high | 7 Ų | 7 | 74.1 Ų | 74.1 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -84.9 | -44.3 | -178.9 | -68 | -61.9 | 0 | 0 | 0 | 113.1 | V54 R57 L61 R76 K77 Y78 G86 F87 F88 L225 | V54-F80 HydrophobicContact CG1-CD1 4.24Å; V54-F80 HydrophobicContact CG1-CE1 3.75Å; R57-F80 HydrophobicContact CB-CZ 4.06Å; L61-F80 HydrophobicContact CD2-CD2 4.07Å; L61-F80 HydrophobicContact CD2-CE2 4.12Å; R76-F80 WeakPolarHBondContact O-CD2 3.44Å; R76-F80 PolarHBondContact O-N 3.15Å; K77-F80 PolarHBondContact O-N 2.92Å; Y78-F80 VanDerWaalsContact C-N 3.26Å; Y78-F80 PolarHBondContact O-N 3.24Å; F80-G86 CarbonylContact O-C 3.59Å; F80-G86 WeakPolarHBondContact O-CA 3.39Å; F80-F87 HydrophobicContact CD1-CB 4.35Å; F80-F87 PolarHBondContact O-N 3.38Å; F80-F88 HydrophobicContact CB-CD2 3.86Å; F80-F88 HydrophobicContact CB-CE2 3.68Å; F80-F88 HydrophobicContact CD1-CD2 4.42Å; F80-F88 HydrophobicContact CD1-CE1 4.46Å; F80-F88 AromaticContact CD1-CE2 3.81Å; F80-F88 HydrophobicContact CD1-CE2 3.81Å; F80-F88 AromaticContact CD1-CZ 3.83Å; F80-F88 HydrophobicContact CD1-CZ 3.83Å; F80-F88 HydrophobicContact CE1-CZ 4.41Å; F80-F88 AromaticContact CG-CE2 3.93Å; F80-F88 HydrophobicContact CG-CE2 3.93Å; F80-F88 HydrophobicContact CG-CZ 4.36Å; F80-F88 PolarHBondContact O-N 2.87Å; F80-L225 HydrophobicContact CB-CD2 3.54Å; F80-L225 HydrophobicContact CD2-CD2 3.83Å; F80-L225 HydrophobicContact CG-CD2 4.01Å |
| 81 | N | 91.4 | Very high | 89.8 | Confident | 8 Ų | 8 | 69 Ų | 69 | 4% | 0.043 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -105.5 | -1.3 | -165.2 | -82.6 | 28.7 | 0 | 0 | 0 | 115.7 | K77 W222 E226 | K77-N81 WeakPolarHBondContact O-CB 3.4Å; K77-N81 PolarHBondContact O-N 3.15Å; N81-W222 VanDerWaalsContact CG-CD1 3.47Å; N81-W222 PolarHBondContact ND2-O 2.86Å; N81-W222 PolarHBondContact O-NE1 3.45Å; N81-W222 VanDerWaalsContact O-NE1 3.15Å; N81-W222 VanDerWaalsContact OD1-CD1 3.29Å; N81-E226 WeakPolarHBondContact ND2-CA 3.47Å; N81-E226 PolarHBondContact ND2-N 3.46Å; N81-E226 PolarHBondContact ND2-OE2 2.8Å |
| 82 | N | 89 | Confident | 89.2 | Confident | 18 Ų | 18 | 69 Ų | 69 | 10% | 0.096 | 33% | 0.327 | C | S | . | . | trans | -48.1 | 127.2 | 179.5 | 173.1 | -3.6 | 0 | 0 | 0 | 111.2 | Y78 E84 D85 G86 | Y78-N82 HydrophobicContact CD1-CB 4.47Å; Y78-N82 HydrophobicContact CD2-CB 4.15Å; Y78-N82 HydrophobicContact CE1-CB 4.33Å; Y78-N82 HydrophobicContact CE2-CB 4Å; Y78-N82 HydrophobicContact CG-CB 4.39Å; Y78-N82 WeakPolarHBondContact O-CB 3.2Å; Y78-N82 PolarHBondContact O-N 2.77Å; Y78-N82 PolarHBondContact OH-ND2 2.99Å; Y78-N82 VanDerWaalsContact OH-ND2 3.12Å; N82-E84 PolarHBondContact O-N 3.41Å; N82-E84 PolarHBondContact OD1-N 3.33Å; N82-D85 PolarHBondContact OD1-N 2.74Å; N82-G86 VanDerWaalsContact O-CA 3.26Å; N82-G86 WeakPolarHBondContact O-CA 3.24Å; N82-G86 PolarHBondContact O-N 3.19Å | ||
| 83 | P | 82.1 | Confident | 88.5 | Confident | 75 Ų | 75 | 69.2 Ų | 69.2 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25.5 | -177.9 | 24.2 | -35.3 | 0 | 0 | 0 | 113.6 | K89 | P83-K89 WeakPolarHBondContact O-CD 2.97Å; P83-K89 WeakPolarHBondContact O-CE 3.46Å; P83-K89 PolarHBondContact O-NZ 3.42Å |
| 84 | E | 81.8 | Confident | 87.3 | Confident | 163 Ų | 163 | 78.2 Ų | 78.2 | 76% | 0.762 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -52.1 | -179.4 | -60.3 | -59.1 | 145.5 | 0 | 0 | 112.1 | N82 | N82-E84 PolarHBondContact O-N 3.41Å; N82-E84 PolarHBondContact OD1-N 3.33Å |
| 85 | D | 84.5 | Confident | 85.7 | Confident | 90 Ų | 90 | 78 Ų | 78 | 48% | 0.481 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 17.5 | -171.2 | -163.3 | 42.7 | 0 | 0 | 0 | 114.2 | N82 F87 K90 | N82-D85 PolarHBondContact OD1-N 2.74Å; D85-F87 PolarHBondContact O-N 3.22Å; D85-K90 WeakPolarHBondContact OD1-CD 3.31Å; D85-K90 WeakPolarHBondContact OD1-CE 3.37Å; D85-K90 IonicContact OD1-NZ 3.27Å; D85-K90 PolarHBondContact OD1-NZ 3.11Å; D85-K90 IonicContact OD2-NZ 2.72Å |
| 86 | G | 87.4 | Confident | 84 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 36% | 0.361 | C | S | . | . | trans | -63 | 136.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | F80 N82 F88 K89 K90 | F80-G86 CarbonylContact O-C 3.59Å; F80-G86 WeakPolarHBondContact O-CA 3.39Å; N82-G86 VanDerWaalsContact O-CA 3.26Å; N82-G86 WeakPolarHBondContact O-CA 3.24Å; N82-G86 PolarHBondContact O-N 3.19Å; G86-F88 VanDerWaalsContact C-N 3.25Å; G86-F88 PolarHBondContact O-N 2.93Å; G86-F88 VanDerWaalsContact O-N 3.16Å; G86-K89 PolarHBondContact O-N 3.12Å; G86-K90 WeakPolarHBondContact O-CB 3.48Å; G86-K90 PolarHBondContact O-N 2.98Å | ||
| 87 | F | 90 | Very high | 81.8 | Confident | 31 Ų | 31 | 75.9 Ų | 75.9 | 14% | 0.136 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -51.4 | -43.8 | -176.2 | -177.3 | -84.6 | 0 | 0 | 0 | 112.7 | V54 Y79 F80 D85 K89 T91 F218 | V54-F87 HydrophobicContact CB-CD1 4.44Å; V54-F87 HydrophobicContact CB-CE1 3.92Å; V54-F87 HydrophobicContact CB-CZ 4.23Å; V54-F87 HydrophobicContact CG1-CD1 3.37Å; V54-F87 HydrophobicContact CG1-CE1 3.28Å; V54-F87 HydrophobicContact CG1-CG 4.17Å; V54-F87 HydrophobicContact CG1-CZ 3.99Å; V54-F87 HydrophobicContact CG2-CE1 3.92Å; V54-F87 HydrophobicContact CG2-CE2 4.19Å; V54-F87 HydrophobicContact CG2-CZ 3.73Å; Y79-F87 HydrophobicContact CE1-CB 4.24Å; Y79-F87 PolarHBondContact O-N 2.82Å; F80-F87 HydrophobicContact CD1-CB 4.35Å; F80-F87 PolarHBondContact O-N 3.38Å; D85-F87 PolarHBondContact O-N 3.22Å; F87-K89 VanDerWaalsContact C-N 3.31Å; F87-K89 PolarHBondContact O-N 3.37Å; F87-T91 HydrophobicContact CE1-CG2 4.31Å; F87-T91 HydrophobicContact CZ-CG2 4.11Å; F87-T91 WeakPolarHBondContact O-CB 3.44Å; F87-T91 PolarHBondContact O-N 2.97Å; F87-T91 PolarHBondContact O-OG1 3.26Å; F87-F218 HydrophobicContact CE1-CE2 4.38Å; F87-F218 HydrophobicContact CE1-CZ 4.14Å |
| 88 | F | 88.7 | Confident | 79.6 | Confident | 5 Ų | 5 | 78.9 Ų | 78.9 | 2% | 0.022 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -71.3 | -23.6 | -177.5 | -65.6 | -44.2 | 0 | 0 | 0 | 114.1 | V54 L55 F80 G86 F218 E221 W222 | V54-F88 HydrophobicContact CG1-CD1 4.5Å; V54-F88 HydrophobicContact CG1-CE1 3.65Å; V54-F88 HydrophobicContact CG1-CZ 4.13Å; L55-F88 HydrophobicContact CD2-CE1 3.97Å; L55-F88 HydrophobicContact CD2-CZ 4.46Å; F80-F88 HydrophobicContact CB-CD2 3.86Å; F80-F88 HydrophobicContact CB-CE2 3.68Å; F80-F88 HydrophobicContact CD1-CD2 4.42Å; F80-F88 HydrophobicContact CD1-CE1 4.46Å; F80-F88 AromaticContact CD1-CE2 3.81Å; F80-F88 HydrophobicContact CD1-CE2 3.81Å; F80-F88 AromaticContact CD1-CZ 3.83Å; F80-F88 HydrophobicContact CD1-CZ 3.83Å; F80-F88 HydrophobicContact CE1-CZ 4.41Å; F80-F88 AromaticContact CG-CE2 3.93Å; F80-F88 HydrophobicContact CG-CE2 3.93Å; F80-F88 HydrophobicContact CG-CZ 4.36Å; F80-F88 PolarHBondContact O-N 2.87Å; G86-F88 VanDerWaalsContact C-N 3.25Å; G86-F88 PolarHBondContact O-N 2.93Å; G86-F88 VanDerWaalsContact O-N 3.16Å; F88-F218 HydrophobicContact CB-CB 4.16Å; F88-F218 HydrophobicContact CD1-CB 3.83Å; F88-F218 AromaticContact CD1-CD1 3.81Å; F88-F218 HydrophobicContact CD1-CD1 3.81Å; F88-F218 HydrophobicContact CD1-CE1 4.5Å; F88-F218 AromaticContact CD1-CG 3.83Å; F88-F218 HydrophobicContact CD1-CG 3.83Å; F88-F218 AromaticContact CE1-CD1 4Å; F88-F218 HydrophobicContact CE1-CD1 4Å; F88-F218 HydrophobicContact CE1-CE1 4.47Å; F88-F218 HydrophobicContact CE1-CG 4.47Å; F88-F218 HydrophobicContact CG-CB 4.34Å; F88-E221 HydrophobicContact CE1-CB 4.45Å; F88-E221 HydrophobicContact CE2-CB 4.05Å; F88-E221 HydrophobicContact CZ-CB 3.97Å; F88-W222 HydrophobicContact CB-CB 4Å; F88-W222 HydrophobicContact CB-CG 4.47Å; F88-W222 HydrophobicContact CD2-CB 4.1Å; F88-W222 HydrophobicContact CG-CB 4.4Å |
| 89 | K | 84.2 | Confident | 77.3 | Confident | 112 Ų | 112 | 74.5 Ų | 74.5 | 49% | 0.487 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -87.5 | -43.7 | 177.4 | -166.4 | 177.1 | 178.5 | -178.5 | 0 | 111.4 | P83 G86 F87 K92 | P83-K89 WeakPolarHBondContact O-CD 2.97Å; P83-K89 WeakPolarHBondContact O-CE 3.46Å; P83-K89 PolarHBondContact O-NZ 3.42Å; G86-K89 PolarHBondContact O-N 3.12Å; F87-K89 VanDerWaalsContact C-N 3.31Å; F87-K89 PolarHBondContact O-N 3.37Å; K89-K92 WeakPolarHBondContact O-CE 3.34Å |
| 90 | K | 85 | Confident | 75.3 | Confident | 135 Ų | 135 | 74 Ų | 74 | 59% | 0.587 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -71.2 | -43.3 | -178.9 | 179.9 | 177.4 | -169.6 | 166.1 | 0 | 113.1 | D85 G86 K92 | D85-K90 WeakPolarHBondContact OD1-CD 3.31Å; D85-K90 WeakPolarHBondContact OD1-CE 3.37Å; D85-K90 IonicContact OD1-NZ 3.27Å; D85-K90 PolarHBondContact OD1-NZ 3.11Å; D85-K90 IonicContact OD2-NZ 2.72Å; G86-K90 WeakPolarHBondContact O-CB 3.48Å; G86-K90 PolarHBondContact O-N 2.98Å; K90-K92 PolarHBondContact O-N 3.1Å; K90-K92 VanDerWaalsContact O-N 3.07Å |
| 91 | T | 83.3 | Confident | 73.4 | Confident | 24 Ų | 24 | 80.8 Ų | 80.8 | 15% | 0.147 | 42% | 0.42 | C | S | . | . | trans | -79.4 | 99.2 | -175.7 | -53.5 | 0 | 0 | 0 | 0 | 109.1 | F87 R93 F218 | F87-T91 HydrophobicContact CE1-CG2 4.31Å; F87-T91 HydrophobicContact CZ-CG2 4.11Å; F87-T91 WeakPolarHBondContact O-CB 3.44Å; F87-T91 PolarHBondContact O-N 2.97Å; F87-T91 PolarHBondContact O-OG1 3.26Å; T91-R93 HydrophobicContact CG2-CG 4.36Å; T91-F218 HydrophobicContact CG2-CE2 3.87Å; T91-F218 WeakPolarHBondContact O-CD2 3.11Å | ||
| 92 | K | 81.2 | Confident | 71.6 | Confident | 143 Ų | 143 | 84.5 Ų | 84.5 | 62% | 0.622 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -100.1 | 120.3 | 168.2 | -62.9 | -59.8 | -178.4 | -168.6 | 0 | 109.3 | K89 K90 N215 | K89-K92 WeakPolarHBondContact O-CE 3.34Å; K90-K92 PolarHBondContact O-N 3.1Å; K90-K92 VanDerWaalsContact O-N 3.07Å; K92-N215 WeakPolarHBondContact CA-OD1 3.46Å |
| 93 | R | 80.2 | Confident | 69.8 | Low | 52 Ų | 52 | 88 Ų | 88 | 20% | 0.196 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -94.8 | 149.3 | 176.7 | -62.1 | -64.4 | -174.9 | -163.7 | 1 | 108.8 | E47 D51 T91 V95 T214 N215 F218 | E47-R93 WeakPolarHBondContact OE1-CD 3.32Å; E47-R93 IonicContact OE1-CZ 2.7Å; E47-R93 IonicContact OE1-NE 2.88Å; E47-R93 PolarHBondContact OE1-NE 3.45Å; E47-R93 IonicContact OE1-NH1 2.61Å; E47-R93 PolarHBondContact OE1-NH1 3.17Å; D51-R93 IonicContact OD1-CZ 3.45Å; D51-R93 IonicContact OD1-NE 2.66Å; D51-R93 PolarHBondContact OD1-NE 2.79Å; D51-R93 IonicContact OD1-NH2 3.97Å; D51-R93 PolarHBondContact OD1-NH2 3.37Å; D51-R93 WeakPolarHBondContact OD2-CD 3.21Å; D51-R93 WeakPolarHBondContact OD2-CG 3.5Å; D51-R93 IonicContact OD2-CZ 2.65Å; D51-R93 IonicContact OD2-NE 3.14Å; D51-R93 PolarHBondContact OD2-NE 3.08Å; D51-R93 IonicContact OD2-NH2 3.33Å; T91-R93 HydrophobicContact CG2-CG 4.36Å; R93-V95 PolarHBondContact O-N 3.37Å; R93-V95 VanDerWaalsContact O-N 3.1Å; R93-T214 WeakPolarHBondContact CB-OG1 3.39Å; R93-N215 PolarHBondContact N-OD1 3.28Å; R93-N215 PolarHBondContact O-ND2 2.81Å; R93-F218 HydrophobicContact CG-CE2 3.96Å; R93-F218 HydrophobicContact CG-CZ 4.44Å |
| 94 | K | 69.6 | Low | 68.6 | Low | 193 Ų | 193 | 88.4 Ų | 88.4 | 84% | 0.839 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 119.3 | 170.8 | -69.3 | -176.5 | -179.6 | 179.1 | 0 | 107.4 | V96 | K94-V96 VanDerWaalsContact C-N 3.26Å; K94-V96 PolarHBondContact O-N 3.03Å |
| 95 | V | 60 | Low | 67.8 | Low | 72 Ų | 72 | 84.7 Ų | 84.7 | 44% | 0.436 | 45% | 0.453 | S | S | . | . | trans | -66.8 | 95.5 | 169 | -176.5 | 0 | 0 | 0 | 0 | 105.4 | R93 P97 N215 | R93-V95 PolarHBondContact O-N 3.37Å; R93-V95 VanDerWaalsContact O-N 3.1Å; V95-P97 WeakPolarHBondContact O-CD 3.49Å; V95-N215 WeakPolarHBondContact CG2-ND2 3.29Å | ||
| 96 | V | 57.1 | Low | 66.7 | Low | 96 Ų | 96 | 85.8 Ų | 85.8 | 58% | 0.582 | 46% | 0.457 | S | S | * | . | trans | -63.9 | 118.4 | 159.1 | -177.7 | 0 | 0 | 0 | 0 | 103.6 | K94 | K94-V96 VanDerWaalsContact C-N 3.26Å; K94-V96 PolarHBondContact O-N 3.03Å | ||
| 97 | P | 49.6 | Very low | 65.6 | Low | 84 Ų | 84 | 88.1 Ų | 88.1 | 55% | 0.545 | 47% | 0.469 | S | S | . | . | trans | -47.9 | 143.5 | -178.9 | -25.4 | 32 | 0 | 0 | 0 | 109.3 | V95 S99 | V95-P97 WeakPolarHBondContact O-CD 3.49Å; P97-S99 PolarHBondContact O-N 3.18Å | ||
| 98 | P | 47.7 | Very low | 64.7 | Low | 90 Ų | 90 | 89.4 Ų | 89.4 | 58% | 0.584 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -66.8 | 71.3 | 171.7 | 30.6 | -36 | 0 | 0 | 0 | 108.9 | P100 A212 | P98-P100 VanDerWaalsContact O-CD 3.29Å; P98-P100 WeakPolarHBondContact O-CD 3.44Å; P98-A212 HydrophobicContact CB-CB 3.58Å |
| 99 | S | 43.1 | Very low | 63.6 | Low | 54 Ų | 54 | 91.1 Ų | 91.1 | 38% | 0.378 | 49% | 0.489 | S | S | . | . | trans | -104.3 | 89.5 | 154.7 | -68.8 | 0 | 0 | 0 | 0 | 104 | P97 M101 T102 | P97-S99 PolarHBondContact O-N 3.18Å; S99-M101 PolarHBondContact O-N 3.42Å; S99-T102 VanDerWaalsContact CB-OG1 3.28Å; S99-T102 WeakPolarHBondContact CB-OG1 3.18Å; S99-T102 PolarHBondContact O-N 2.83Å; S99-T102 PolarHBondContact O-OG1 2.86Å | ||
| 100 | P | 52.5 | Low | 62.9 | Low | 102 Ų | 102 | 91.7 Ų | 91.7 | 66% | 0.662 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -2.7 | 163.7 | -17.2 | 29.7 | 0 | 0 | 0 | 112.4 | P98 L107 | P98-P100 VanDerWaalsContact O-CD 3.29Å; P98-P100 WeakPolarHBondContact O-CD 3.44Å; P100-L107 WeakPolarHBondContact O-CD1 3.27Å; P100-L107 VanDerWaalsContact O-CD2 3.29Å; P100-L107 WeakPolarHBondContact O-CD2 3.27Å; P100-L107 WeakPolarHBondContact O-CG 3.38Å |
| 101 | M | 53.3 | Low | 62.3 | Low | 149 Ų | 149 | 90.5 Ų | 90.5 | 73% | 0.734 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -7 | -178.1 | -64 | -173.3 | 72.6 | 0 | 0 | 116.6 | S99 L107 | S99-M101 PolarHBondContact O-N 3.42Å; M101-L107 HydrophobicContact CB-CD1 4.16Å; M101-L107 HydrophobicContact CG-CD1 3.94Å |
| 102 | T | 52.4 | Low | 61.9 | Low | 87 Ų | 87 | 93.9 Ų | 93.9 | 53% | 0.534 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -85 | -15.5 | -175 | 39.7 | 0 | 0 | 0 | 0 | 115.2 | S99 P104 | S99-T102 VanDerWaalsContact CB-OG1 3.28Å; S99-T102 WeakPolarHBondContact CB-OG1 3.18Å; S99-T102 PolarHBondContact O-N 2.83Å; S99-T102 PolarHBondContact O-OG1 2.86Å; T102-P104 WeakPolarHBondContact O-CD 3.25Å |
| 103 | D | 52.2 | Low | 61.5 | Low | 90 Ų | 90 | 88.5 Ų | 88.5 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | trans | -100.6 | 91.6 | 163.8 | -83.8 | -33.4 | 0 | 0 | 0 | 108.7 | T105 M106 L107 | D103-T105 PolarHBondContact O-N 3.27Å; D103-M106 HydrophobicContact CB-CB 4.24Å; D103-M106 HydrophobicContact CB-CG 4.11Å; D103-M106 PolarHBondContact O-N 3.38Å; D103-M106 VanDerWaalsContact O-N 3.14Å; D103-L107 PolarHBondContact O-N 2.81Å | ||
| 104 | P | 56.7 | Low | 61.4 | Low | 85 Ų | 85 | 90.2 Ų | 90.2 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -46.1 | -34.8 | 169 | -27.9 | 30 | 0 | 0 | 0 | 111.8 | T102 T108 | T102-P104 WeakPolarHBondContact O-CD 3.25Å; P104-T108 VanDerWaalsContact O-CB 3.22Å; P104-T108 WeakPolarHBondContact O-CB 3.4Å; P104-T108 WeakPolarHBondContact O-CG2 3.09Å; P104-T108 PolarHBondContact O-N 2.73Å; P104-T108 PolarHBondContact O-OG1 3.47Å |
| 105 | T | 64.9 | Low | 61.9 | Low | 84 Ų | 84 | 84.4 Ų | 84.4 | 52% | 0.515 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -51.9 | 179.8 | 54.7 | 0 | 0 | 0 | 0 | 112.2 | D103 L107 T108 D109 | D103-T105 PolarHBondContact O-N 3.27Å; T105-L107 PolarHBondContact O-N 3.43Å; T105-T108 WeakPolarHBondContact CA-OG1 3.47Å; T105-T108 PolarHBondContact O-N 3.37Å; T105-T108 PolarHBondContact O-OG1 2.99Å; T105-D109 WeakPolarHBondContact O-CB 3.4Å; T105-D109 VanDerWaalsContact O-CG 3.23Å; T105-D109 PolarHBondContact O-N 2.69Å |
| 106 | M | 61.6 | Low | 62.9 | Low | 114 Ų | 114 | 82.2 Ų | 82.2 | 56% | 0.562 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.5 | -43.1 | -179 | -69.9 | -167.6 | 73.3 | 0 | 0 | 112.7 | D103 D109 M110 | D103-M106 HydrophobicContact CB-CB 4.24Å; D103-M106 HydrophobicContact CB-CG 4.11Å; D103-M106 PolarHBondContact O-N 3.38Å; D103-M106 VanDerWaalsContact O-N 3.14Å; M106-D109 PolarHBondContact O-N 3.28Å; M106-M110 PolarHBondContact O-N 3.07Å |
| 107 | L | 64.9 | Low | 63.9 | Low | 48 Ų | 48 | 78.6 Ų | 78.6 | 25% | 0.251 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 173.7 | -78.2 | -173.7 | 0 | 0 | 0 | 111.4 | P100 M101 D103 T105 D109 M110 M111 | P100-L107 WeakPolarHBondContact O-CD1 3.27Å; P100-L107 VanDerWaalsContact O-CD2 3.29Å; P100-L107 WeakPolarHBondContact O-CD2 3.27Å; P100-L107 WeakPolarHBondContact O-CG 3.38Å; M101-L107 HydrophobicContact CB-CD1 4.16Å; M101-L107 HydrophobicContact CG-CD1 3.94Å; D103-L107 PolarHBondContact O-N 2.81Å; T105-L107 PolarHBondContact O-N 3.43Å; L107-D109 PolarHBondContact O-N 3.13Å; L107-M110 HydrophobicContact CD2-CE 4.17Å; L107-M110 PolarHBondContact O-N 3.32Å; L107-M111 WeakPolarHBondContact O-CB 3.12Å; L107-M111 WeakPolarHBondContact O-CG 3.34Å; L107-M111 PolarHBondContact O-N 2.95Å |
| 108 | T | 70.3 | Confident | 65.5 | Low | 59 Ų | 59 | 77.2 Ų | 77.2 | 36% | 0.362 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.1 | -34.6 | 178.3 | 62 | 0 | 0 | 0 | 0 | 111.2 | P104 T105 K112 | P104-T108 VanDerWaalsContact O-CB 3.22Å; P104-T108 WeakPolarHBondContact O-CB 3.4Å; P104-T108 WeakPolarHBondContact O-CG2 3.09Å; P104-T108 PolarHBondContact O-N 2.73Å; P104-T108 PolarHBondContact O-OG1 3.47Å; T105-T108 WeakPolarHBondContact CA-OG1 3.47Å; T105-T108 PolarHBondContact O-N 3.37Å; T105-T108 PolarHBondContact O-OG1 2.99Å; T108-K112 WeakPolarHBondContact O-CB 3.34Å; T108-K112 WeakPolarHBondContact O-CD 3.44Å; T108-K112 WeakPolarHBondContact O-CG 3.29Å; T108-K112 PolarHBondContact O-N 3.26Å |
| 109 | D | 66.7 | Low | 67.3 | Low | 41 Ų | 41 | 76.9 Ų | 76.9 | 22% | 0.219 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -77.7 | -38.7 | 179.9 | -67.3 | -17.2 | 0 | 0 | 0 | 112.7 | T105 M106 L107 M111 K112 G113 | T105-D109 WeakPolarHBondContact O-CB 3.4Å; T105-D109 VanDerWaalsContact O-CG 3.23Å; T105-D109 PolarHBondContact O-N 2.69Å; M106-D109 PolarHBondContact O-N 3.28Å; L107-D109 PolarHBondContact O-N 3.13Å; D109-M111 VanDerWaalsContact C-N 3.33Å; D109-K112 PolarHBondContact O-N 3.16Å; D109-K112 IonicContact OD1-NZ 3.63Å; D109-K112 PolarHBondContact OD1-NZ 3.33Å; D109-G113 PolarHBondContact O-N 3.2Å |
| 110 | M | 69.6 | Low | 69.2 | Low | 123 Ų | 123 | 75.4 Ų | 75.4 | 61% | 0.606 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 171.2 | -174.2 | -177.5 | 75.1 | 0 | 0 | 110.6 | M106 L107 G113 N114 | M106-M110 PolarHBondContact O-N 3.07Å; L107-M110 HydrophobicContact CD2-CE 4.17Å; L107-M110 PolarHBondContact O-N 3.32Å; M110-G113 PolarHBondContact O-N 3.1Å; M110-N114 WeakPolarHBondContact O-CB 3.38Å; M110-N114 PolarHBondContact O-N 2.78Å |
| 111 | M | 72.4 | Confident | 70.7 | Confident | 111 Ų | 111 | 73.3 Ų | 73.3 | 55% | 0.547 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 173.5 | -73.2 | -178.6 | 72.2 | 0 | 0 | 110.7 | L107 D109 G113 N114 V115 | L107-M111 WeakPolarHBondContact O-CB 3.12Å; L107-M111 WeakPolarHBondContact O-CG 3.34Å; L107-M111 PolarHBondContact O-N 2.95Å; D109-M111 VanDerWaalsContact C-N 3.33Å; M111-G113 VanDerWaalsContact C-N 3.33Å; M111-G113 PolarHBondContact O-N 3.37Å; M111-N114 PolarHBondContact O-N 2.7Å; M111-V115 WeakPolarHBondContact O-CA 3.49Å; M111-V115 WeakPolarHBondContact O-CB 3.44Å; M111-V115 WeakPolarHBondContact O-CG2 3.27Å; M111-V115 PolarHBondContact O-N 2.81Å |
| 112 | K | 73.6 | Confident | 72.4 | Confident | 94 Ų | 94 | 71.5 Ų | 71.5 | 41% | 0.409 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.2 | -46.5 | 175.7 | -78.4 | 166.5 | -158.8 | 161.8 | 0 | 110.5 | T108 D109 T116 | T108-K112 WeakPolarHBondContact O-CB 3.34Å; T108-K112 WeakPolarHBondContact O-CD 3.44Å; T108-K112 WeakPolarHBondContact O-CG 3.29Å; T108-K112 PolarHBondContact O-N 3.26Å; D109-K112 PolarHBondContact O-N 3.16Å; D109-K112 IonicContact OD1-NZ 3.63Å; D109-K112 PolarHBondContact OD1-NZ 3.33Å; K112-T116 VanDerWaalsContact O-CB 3.26Å; K112-T116 WeakPolarHBondContact O-CB 3.29Å; K112-T116 WeakPolarHBondContact O-CG2 3.38Å; K112-T116 PolarHBondContact O-N 3.39Å; K112-T116 PolarHBondContact O-OG1 3.48Å |
| 113 | G | 74 | Confident | 74.1 | Confident | 31 Ų | 31 | 72.6 Ų | 72.6 | 32% | 0.32 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.9 | -49.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | D109 M110 M111 T116 N117 | D109-G113 PolarHBondContact O-N 3.2Å; M110-G113 PolarHBondContact O-N 3.1Å; M111-G113 VanDerWaalsContact C-N 3.33Å; M111-G113 PolarHBondContact O-N 3.37Å; G113-T116 PolarHBondContact O-OG1 2.77Å; G113-N117 WeakPolarHBondContact O-CB 3.4Å; G113-N117 PolarHBondContact O-N 3.03Å; G113-N117 PolarHBondContact O-ND2 2.94Å |
| 114 | N | 77.7 | Confident | 75.8 | Confident | 88 Ų | 88 | 69 Ų | 69 | 47% | 0.471 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.9 | -42 | 179.8 | -163.9 | 23.2 | 0 | 0 | 0 | 112.2 | M110 M111 N117 V118 | M110-N114 WeakPolarHBondContact O-CB 3.38Å; M110-N114 PolarHBondContact O-N 2.78Å; M111-N114 PolarHBondContact O-N 2.7Å; N114-N117 PolarHBondContact O-N 3.41Å; N114-V118 VanDerWaalsContact O-CB 3.31Å; N114-V118 WeakPolarHBondContact O-CB 3.3Å; N114-V118 VanDerWaalsContact O-CG2 3.26Å; N114-V118 WeakPolarHBondContact O-CG2 3.43Å; N114-V118 PolarHBondContact O-N 3.38Å; N114-V118 WeakPolarHBondContact OD1-CG2 3.39Å |
| 115 | V | 80.6 | Confident | 77.2 | Confident | 71 Ų | 71 | 65.8 Ų | 65.8 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 178.4 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | M111 N117 V118 L119 | M111-V115 WeakPolarHBondContact O-CA 3.49Å; M111-V115 WeakPolarHBondContact O-CB 3.44Å; M111-V115 WeakPolarHBondContact O-CG2 3.27Å; M111-V115 PolarHBondContact O-N 2.81Å; V115-N117 PolarHBondContact O-N 3.35Å; V115-N117 VanDerWaalsContact O-N 3.11Å; V115-V118 PolarHBondContact O-N 3.28Å; V115-L119 HydrophobicContact CG1-CB 4.17Å; V115-L119 HydrophobicContact CG1-CD2 4.36Å; V115-L119 WeakPolarHBondContact O-CA 3.21Å; V115-L119 WeakPolarHBondContact O-CB 3.16Å; V115-L119 PolarHBondContact O-N 3.16Å |
| 116 | T | 80.9 | Confident | 78.4 | Confident | 25 Ų | 25 | 63.2 Ų | 63.2 | 15% | 0.153 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.2 | -26.7 | 176.1 | 51 | 0 | 0 | 0 | 0 | 112.4 | L38 K112 G113 P120 | L38-T116 HydrophobicContact CD1-CG2 3.29Å; K112-T116 VanDerWaalsContact O-CB 3.26Å; K112-T116 WeakPolarHBondContact O-CB 3.29Å; K112-T116 WeakPolarHBondContact O-CG2 3.38Å; K112-T116 PolarHBondContact O-N 3.39Å; K112-T116 PolarHBondContact O-OG1 3.48Å; G113-T116 PolarHBondContact O-OG1 2.77Å; T116-P120 WeakPolarHBondContact O-CD 3.35Å; T116-P120 WeakPolarHBondContact O-CG 3.26Å |
| 117 | N | 77.4 | Confident | 79.7 | Confident | 20 Ų | 20 | 64.1 Ų | 64.1 | 11% | 0.107 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -89.1 | -38.4 | 179.3 | -69.4 | -35.6 | 0 | 0 | 0 | 114 | R31 G113 N114 V115 M198 | R31-N117 PolarHBondContact NH1-O 3.48Å; R31-N117 PolarHBondContact NH2-OD1 3.37Å; G113-N117 WeakPolarHBondContact O-CB 3.4Å; G113-N117 PolarHBondContact O-N 3.03Å; G113-N117 PolarHBondContact O-ND2 2.94Å; N114-N117 PolarHBondContact O-N 3.41Å; V115-N117 PolarHBondContact O-N 3.35Å; V115-N117 VanDerWaalsContact O-N 3.11Å; N117-M198 HydrophobicContact CB-CE 3.41Å; N117-M198 VanDerWaalsContact CB-CE 3.41Å; N117-M198 HydrophobicContact CB-SD 3.48Å; N117-M198 WeakPolarHBondContact CB-SD 3.46Å; N117-M198 WeakPolarHBondContact ND2-CE 3.42Å; N117-M198 PolarHBondContact ND2-SD 2.8Å |
| 118 | V | 83 | Confident | 80.9 | Confident | 55 Ų | 55 | 62 Ų | 62 | 33% | 0.333 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -85.3 | -36.4 | -177.7 | 171.9 | 0 | 0 | 0 | 0 | 111.9 | N114 V115 M121 I122 | N114-V118 VanDerWaalsContact O-CB 3.31Å; N114-V118 WeakPolarHBondContact O-CB 3.3Å; N114-V118 VanDerWaalsContact O-CG2 3.26Å; N114-V118 WeakPolarHBondContact O-CG2 3.43Å; N114-V118 PolarHBondContact O-N 3.38Å; N114-V118 WeakPolarHBondContact OD1-CG2 3.39Å; V115-V118 PolarHBondContact O-N 3.28Å; V118-M121 WeakPolarHBondContact O-CB 3.31Å; V118-M121 PolarHBondContact O-N 3.41Å; V118-I122 HydrophobicContact CG1-CD1 3.6Å; V118-I122 HydrophobicContact CG1-CG1 4.04Å; V118-I122 PolarHBondContact O-N 2.82Å; V118-I122 VanDerWaalsContact O-N 3.1Å |
| 119 | L | 86 | Confident | 81.7 | Confident | 83 Ų | 83 | 62.3 Ų | 62.3 | 44% | 0.435 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.2 | -45.6 | -176.2 | 179.8 | 66.5 | 0 | 0 | 0 | 112.6 | V115 M121 I122 L123 | V115-L119 HydrophobicContact CG1-CB 4.17Å; V115-L119 HydrophobicContact CG1-CD2 4.36Å; V115-L119 WeakPolarHBondContact O-CA 3.21Å; V115-L119 WeakPolarHBondContact O-CB 3.16Å; V115-L119 PolarHBondContact O-N 3.16Å; L119-M121 VanDerWaalsContact C-N 3.28Å; L119-M121 PolarHBondContact O-N 2.97Å; L119-I122 PolarHBondContact O-N 2.89Å; L119-L123 HydrophobicContact CD1-CD1 3.9Å; L119-L123 HydrophobicContact CD1-CD2 4.45Å; L119-L123 HydrophobicContact CD1-CG 3.95Å; L119-L123 HydrophobicContact CD2-CD1 4.47Å; L119-L123 HydrophobicContact CG-CD1 3.81Å; L119-L123 HydrophobicContact CG-CG 4.26Å; L119-L123 WeakPolarHBondContact O-CB 3.32Å; L119-L123 WeakPolarHBondContact O-CG 3.27Å; L119-L123 PolarHBondContact O-N 2.61Å |
| 120 | P | 83.5 | Confident | 82.7 | Confident | 23 Ų | 23 | 67.3 Ų | 67.3 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.9 | -36.2 | 176.5 | -24.6 | 35.8 | 0 | 0 | 0 | 113.2 | V27 T116 I124 | V27-P120 HydrophobicContact CG1-CB 4.12Å; T116-P120 WeakPolarHBondContact O-CD 3.35Å; T116-P120 WeakPolarHBondContact O-CG 3.26Å; P120-I124 WeakPolarHBondContact O-CB 3.1Å; P120-I124 WeakPolarHBondContact O-CG1 3.46Å; P120-I124 PolarHBondContact O-N 2.68Å |
| 121 | M | 84 | Confident | 83.6 | Confident | 58 Ų | 58 | 64.3 Ų | 64.3 | 29% | 0.286 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 177.8 | -63.3 | 178.3 | 177.7 | 0 | 0 | 111.6 | V118 L119 G125 Q195 | V118-M121 WeakPolarHBondContact O-CB 3.31Å; V118-M121 PolarHBondContact O-N 3.41Å; L119-M121 VanDerWaalsContact C-N 3.28Å; L119-M121 PolarHBondContact O-N 2.97Å; M121-G125 VanDerWaalsContact O-CA 3.31Å; M121-G125 WeakPolarHBondContact O-CA 2.93Å; M121-G125 PolarHBondContact O-N 2.91Å; M121-Q195 HydrophobicContact CE-CG 4.1Å |
| 122 | I | 87.4 | Confident | 84.3 | Confident | 111 Ų | 111 | 60.3 Ų | 60.3 | 57% | 0.569 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67.1 | -45.6 | 179.7 | -64.7 | 176.9 | 0 | 0 | 0 | 110.2 | V118 L119 G126 | V118-I122 HydrophobicContact CG1-CD1 3.6Å; V118-I122 HydrophobicContact CG1-CG1 4.04Å; V118-I122 PolarHBondContact O-N 2.82Å; V118-I122 VanDerWaalsContact O-N 3.1Å; L119-I122 PolarHBondContact O-N 2.89Å; I122-G126 WeakPolarHBondContact O-CA 3.06Å; I122-G126 PolarHBondContact O-N 3.1Å |
| 123 | L | 88.7 | Confident | 84.9 | Confident | 110 Ų | 110 | 59 Ų | 59 | 58% | 0.576 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.3 | -49.5 | -178.1 | -69.4 | 176.8 | 0 | 0 | 0 | 111.9 | L119 W127 | L119-L123 HydrophobicContact CD1-CD1 3.9Å; L119-L123 HydrophobicContact CD1-CD2 4.45Å; L119-L123 HydrophobicContact CD1-CG 3.95Å; L119-L123 HydrophobicContact CD2-CD1 4.47Å; L119-L123 HydrophobicContact CG-CD1 3.81Å; L119-L123 HydrophobicContact CG-CG 4.26Å; L119-L123 WeakPolarHBondContact O-CB 3.32Å; L119-L123 WeakPolarHBondContact O-CG 3.27Å; L119-L123 PolarHBondContact O-N 2.61Å; L123-W127 VanDerWaalsContact O-CB 3.27Å; L123-W127 WeakPolarHBondContact O-CB 3.08Å; L123-W127 PolarHBondContact O-N 2.71Å |
| 124 | I | 87.2 | Confident | 85.3 | Confident | 15 Ų | 15 | 59.7 Ų | 59.7 | 8% | 0.077 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -71.6 | -44.6 | 180 | -61.2 | 164.5 | 0 | 0 | 0 | 110.6 | V27 P120 G126 W127 I128 Y172 | V27-I124 HydrophobicContact CB-CD1 3.74Å; V27-I124 HydrophobicContact CG1-CD1 3.48Å; V27-I124 VanDerWaalsContact CG1-CD1 3.48Å; V27-I124 HydrophobicContact CG1-CG1 4.41Å; V27-I124 HydrophobicContact CG2-CD1 3.99Å; V27-I124 HydrophobicContact CG2-CG1 4.48Å; P120-I124 WeakPolarHBondContact O-CB 3.1Å; P120-I124 WeakPolarHBondContact O-CG1 3.46Å; P120-I124 PolarHBondContact O-N 2.68Å; I124-G126 VanDerWaalsContact C-N 3.32Å; I124-G126 PolarHBondContact O-N 3.38Å; I124-W127 WeakPolarHBondContact O-CB 3.48Å; I124-W127 PolarHBondContact O-N 3.41Å; I124-I128 HydrophobicContact CG2-CD1 3.63Å; I124-I128 HydrophobicContact CG2-CG1 4.16Å; I124-I128 WeakPolarHBondContact O-CB 3.26Å; I124-I128 VanDerWaalsContact O-CG1 3.28Å; I124-I128 WeakPolarHBondContact O-CG1 3.17Å; I124-I128 PolarHBondContact O-N 2.91Å; I124-Y172 HydrophobicContact CB-CD2 4.5Å; I124-Y172 HydrophobicContact CB-CE1 4.48Å; I124-Y172 HydrophobicContact CB-CE2 3.82Å; I124-Y172 HydrophobicContact CD1-CE2 3.87Å; I124-Y172 HydrophobicContact CG1-CE2 4.47Å; I124-Y172 HydrophobicContact CG2-CD2 3.53Å; I124-Y172 HydrophobicContact CG2-CE1 4.34Å; I124-Y172 HydrophobicContact CG2-CE2 3.29Å; I124-Y172 HydrophobicContact CG2-CG 4.15Å |
| 125 | G | 87.3 | Confident | 85.8 | Confident | 17 Ų | 17 | 60 Ų | 60 | 18% | 0.175 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.5 | -44.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M121 I128 N129 | M121-G125 VanDerWaalsContact O-CA 3.31Å; M121-G125 WeakPolarHBondContact O-CA 2.93Å; M121-G125 PolarHBondContact O-N 2.91Å; G125-I128 PolarHBondContact O-N 3.19Å; G125-N129 PolarHBondContact O-N 3.4Å; G125-N129 PolarHBondContact O-ND2 2.79Å |
| 126 | G | 89 | Confident | 86.1 | Confident | 31 Ų | 31 | 57.2 Ų | 57.2 | 32% | 0.32 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | I122 I124 I128 N129 M130 | I122-G126 WeakPolarHBondContact O-CA 3.06Å; I122-G126 PolarHBondContact O-N 3.1Å; I124-G126 VanDerWaalsContact C-N 3.32Å; I124-G126 PolarHBondContact O-N 3.38Å; G126-I128 VanDerWaalsContact C-N 3.33Å; G126-I128 PolarHBondContact O-N 3.32Å; G126-N129 PolarHBondContact O-N 3.31Å; G126-M130 WeakPolarHBondContact O-CG 3.42Å; G126-M130 PolarHBondContact O-N 3.11Å |
| 127 | W | 90.4 | Very high | 86.3 | Confident | 133 Ų | 133 | 56.2 Ų | 56.2 | 50% | 0.504 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.3 | -43.4 | 176.4 | 178.3 | -101.8 | 0 | 0 | 0 | 113.1 | L123 I124 M130 T131 | L123-W127 VanDerWaalsContact O-CB 3.27Å; L123-W127 WeakPolarHBondContact O-CB 3.08Å; L123-W127 PolarHBondContact O-N 2.71Å; I124-W127 WeakPolarHBondContact O-CB 3.48Å; I124-W127 PolarHBondContact O-N 3.41Å; W127-M130 HydrophobicContact CE3-CE 4.12Å; W127-M130 PolarHBondContact O-N 3.15Å; W127-T131 WeakPolarHBondContact O-CB 3.15Å; W127-T131 PolarHBondContact O-N 3.19Å; W127-T131 PolarHBondContact O-OG1 2.78Å |
| 128 | I | 88.8 | Confident | 86.7 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.3 | -39.5 | 179.3 | -68.3 | 174.9 | 0 | 0 | 0 | 111.1 | I20 I124 G125 G126 M130 T131 F132 S133 A169 Y172 | I20-I128 HydrophobicContact CD1-CD1 4.49Å; I20-I128 HydrophobicContact CG1-CD1 4.29Å; I20-I128 HydrophobicContact CG2-CD1 4.04Å; I124-I128 HydrophobicContact CG2-CD1 3.63Å; I124-I128 HydrophobicContact CG2-CG1 4.16Å; I124-I128 WeakPolarHBondContact O-CB 3.26Å; I124-I128 VanDerWaalsContact O-CG1 3.28Å; I124-I128 WeakPolarHBondContact O-CG1 3.17Å; I124-I128 PolarHBondContact O-N 2.91Å; G125-I128 PolarHBondContact O-N 3.19Å; G126-I128 VanDerWaalsContact C-N 3.33Å; G126-I128 PolarHBondContact O-N 3.32Å; I128-M130 VanDerWaalsContact C-N 3.3Å; I128-M130 PolarHBondContact O-N 2.78Å; I128-T131 PolarHBondContact O-N 2.8Å; I128-F132 HydrophobicContact CG1-CD2 4.48Å; I128-F132 HydrophobicContact CG2-CB 4.34Å; I128-F132 CarbonylContact O-C 3.38Å; I128-F132 WeakPolarHBondContact O-CA 3.34Å; I128-F132 PolarHBondContact O-N 2.69Å; I128-S133 PolarHBondContact O-N 2.76Å; I128-A169 HydrophobicContact CG2-CB 4.47Å; I128-Y172 HydrophobicContact CD1-CD1 4.37Å; I128-Y172 HydrophobicContact CD1-CD2 3.91Å; I128-Y172 HydrophobicContact CD1-CG 3.61Å |
| 129 | N | 87 | Confident | 86.8 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 35% | 0.348 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.7 | -32.7 | 173.6 | -79.7 | -75.2 | 0 | 0 | 0 | 112.2 | G125 G126 S133 | G125-N129 PolarHBondContact O-N 3.4Å; G125-N129 PolarHBondContact O-ND2 2.79Å; G126-N129 PolarHBondContact O-N 3.31Å; N129-S133 WeakPolarHBondContact O-CB 3.17Å |
| 130 | M | 87.3 | Confident | 86.7 | Confident | 145 Ų | 145 | 56.7 Ų | 56.7 | 71% | 0.714 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -74.9 | -39.7 | 175.6 | -69.5 | -175.2 | -60.4 | 0 | 0 | 112.8 | G126 W127 I128 | G126-M130 WeakPolarHBondContact O-CG 3.42Å; G126-M130 PolarHBondContact O-N 3.11Å; W127-M130 HydrophobicContact CE3-CE 4.12Å; W127-M130 PolarHBondContact O-N 3.15Å; I128-M130 VanDerWaalsContact C-N 3.3Å; I128-M130 PolarHBondContact O-N 2.78Å |
| 131 | T | 88.8 | Confident | 86.7 | Confident | 60 Ų | 60 | 61.8 Ų | 61.8 | 37% | 0.368 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -97.4 | -33.9 | -168.4 | -47 | 0 | 0 | 0 | 0 | 113.3 | W127 I128 | W127-T131 WeakPolarHBondContact O-CB 3.15Å; W127-T131 PolarHBondContact O-N 3.19Å; W127-T131 PolarHBondContact O-OG1 2.78Å; I128-T131 PolarHBondContact O-N 2.8Å |
| 132 | F | 87.5 | Confident | 86.8 | Confident | 28 Ų | 28 | 64.8 Ų | 64.8 | 12% | 0.123 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -128.9 | 19.7 | -169.8 | -54.9 | -68.5 | 0 | 0 | 0 | 113.4 | V16 I20 I128 F135 S168 | V16-F132 HydrophobicContact CB-CD1 4.18Å; V16-F132 HydrophobicContact CB-CE1 4.3Å; V16-F132 HydrophobicContact CG1-CB 4.16Å; V16-F132 HydrophobicContact CG1-CD1 3.68Å; V16-F132 HydrophobicContact CG1-CE1 4.18Å; V16-F132 HydrophobicContact CG1-CG 3.95Å; V16-F132 HydrophobicContact CG2-CD1 3.79Å; V16-F132 HydrophobicContact CG2-CE1 3.95Å; I20-F132 HydrophobicContact CD1-CD2 4.14Å; I20-F132 HydrophobicContact CG1-CD2 4.22Å; I20-F132 HydrophobicContact CG1-CE2 4.18Å; I128-F132 HydrophobicContact CG1-CD2 4.48Å; I128-F132 HydrophobicContact CG2-CB 4.34Å; I128-F132 CarbonylContact O-C 3.38Å; I128-F132 WeakPolarHBondContact O-CA 3.34Å; I128-F132 PolarHBondContact O-N 2.69Å; F132-F135 HydrophobicContact CB-CD2 4.38Å; F132-F135 PolarHBondContact O-N 2.98Å; F132-S168 WeakPolarHBondContact O-CB 3.34Å; F132-S168 PolarHBondContact O-OG 3.47Å |
| 133 | S | 86 | Confident | 86.3 | Confident | 65 Ų | 65 | 65.8 Ų | 65.8 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 148.1 | 172.2 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | I128 N129 F135 G155 | I128-S133 PolarHBondContact O-N 2.76Å; N129-S133 WeakPolarHBondContact O-CB 3.17Å; S133-F135 WeakPolarHBondContact O-CD2 3.49Å; S133-F135 PolarHBondContact O-N 3.15Å; S133-G155 PolarHBondContact OG-O 2.7Å |
| 134 | G | 83.8 | Confident | 85.8 | Confident | 46 Ų | 46 | 62.2 Ų | 62.2 | 47% | 0.474 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -14.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | G155 | G134-G155 PolarHBondContact N-O 2.76Š|
| 135 | F | 86.4 | Confident | 85.6 | Confident | 95 Ų | 95 | 65.3 Ų | 65.3 | 42% | 0.417 | 37% | 0.371 | S | S | . | . | trans | -80.4 | 136.9 | 178.8 | -71.2 | -85.6 | 0 | 0 | 0 | 112.5 | I12 F132 S133 S167 S168 | I12-F135 HydrophobicContact CD1-CB 4.24Å; I12-F135 HydrophobicContact CD1-CD1 3.72Å; I12-F135 HydrophobicContact CD1-CG 4.43Å; I12-F135 HydrophobicContact CG1-CD1 4.46Å; F132-F135 HydrophobicContact CB-CD2 4.38Å; F132-F135 PolarHBondContact O-N 2.98Å; S133-F135 WeakPolarHBondContact O-CD2 3.49Å; S133-F135 PolarHBondContact O-N 3.15Å; F135-S167 WeakPolarHBondContact O-CA 3.48Å; F135-S168 WeakPolarHBondContact CB-OG 3.48Å; F135-S168 PolarHBondContact O-N 2.84Å; F135-S168 VanDerWaalsContact O-N 3.16Å; F135-S168 PolarHBondContact O-OG 3.33Å | ||
| 136 | V | 86.8 | Confident | 85.2 | Confident | 13 Ų | 13 | 70.7 Ų | 70.7 | 8% | 0.079 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 125 | 169.7 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | L8 I12 I156 L161 W165 | L8-V136 HydrophobicContact CD2-CB 4.17Å; L8-V136 HydrophobicContact CD2-CG1 4.27Å; L8-V136 VanDerWaalsContact CD2-O 3.29Å; L8-V136 WeakPolarHBondContact CD2-O 3.47Å; I12-V136 WeakPolarHBondContact CD1-O 3.23Å; V136-I156 HydrophobicContact CG2-CD1 3.61Å; V136-L161 HydrophobicContact CG2-CD2 3.86Å; V136-W165 HydrophobicContact CG1-CB 3.85Å; V136-W165 HydrophobicContact CG1-CD2 3.9Å; V136-W165 HydrophobicContact CG1-CE3 3.36Å; V136-W165 HydrophobicContact CG1-CG 4.16Å; V136-W165 HydrophobicContact CG1-CZ3 4.18Å |
| 137 | T | 85.8 | Confident | 84.9 | Confident | 3 Ų | 3 | 79.9 Ų | 79.9 | 2% | 0.018 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -50.1 | -170.9 | 53 | 0 | 0 | 0 | 0 | 113.3 | V16 V17 V166 W171 | V16-T137 HydrophobicContact CG1-CG2 4.05Å; V17-T137 HydrophobicContact CG2-CG2 4.11Å; T137-V166 PolarHBondContact N-O 3.09Å; T137-V166 PolarHBondContact OG1-O 3.06Å; T137-W171 HydrophobicContact CG2-CB 4.23Å; T137-W171 HydrophobicContact CG2-CG 4.46Å |
| 138 | T | 85.8 | Confident | 84.5 | Confident | 50 Ų | 50 | 78 Ų | 78 | 31% | 0.307 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 160.1 | -172.4 | -172.6 | 0 | 0 | 0 | 0 | 111.7 | V166 W171 | T138-V166 HydrophobicContact CG2-CB 3.93Å; T138-V166 HydrophobicContact CG2-CG2 4Å; T138-V166 WeakPolarHBondContact O-CB 3.28Å; T138-V166 PolarHBondContact O-N 3.16Å; T138-W171 HydrophobicContact CG2-CE3 3.79Å; T138-W171 HydrophobicContact CG2-CZ3 3.9Å |
| 139 | K | 84.7 | Confident | 84.1 | Confident | 98 Ų | 98 | 79.6 Ų | 79.6 | 43% | 0.426 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.8 | 173.7 | -171.8 | -179.7 | 177.5 | -177.7 | 0 | 108.9 | S164 W165 | K139-S164 WeakPolarHBondContact CA-O 3.42Å; K139-S164 WeakPolarHBondContact CE-OG 2.99Å; K139-W165 HydrophobicContact CB-CD2 4.35Å; K139-W165 HydrophobicContact CB-CE3 3.82Å; K139-W165 HydrophobicContact CB-CH2 4.17Å; K139-W165 HydrophobicContact CB-CZ3 3.71Å; K139-W165 HydrophobicContact CD-CH2 4.32Å; K139-W165 HydrophobicContact CD-CZ2 4.17Å; K139-W165 HydrophobicContact CG-CD2 4.47Å; K139-W165 HydrophobicContact CG-CE3 4.42Å; K139-W165 HydrophobicContact CG-CZ3 4.5Å |
| 140 | V | 85.2 | Confident | 84 | Confident | 20 Ų | 20 | 81.3 Ų | 81.3 | 12% | 0.121 | 44% | 0.437 | C | S | . | . | trans | -69.2 | 134.7 | 175.4 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | F142 L144 S164 V166 | V140-F142 HydrophobicContact CG1-CD1 3.37Å; V140-F142 HydrophobicContact CG1-CD2 3.74Å; V140-F142 HydrophobicContact CG1-CE1 3.12Å; V140-F142 HydrophobicContact CG1-CE2 3.53Å; V140-F142 HydrophobicContact CG1-CG 3.68Å; V140-F142 HydrophobicContact CG1-CZ 3.21Å; V140-F142 PolarHBondContact O-N 3.36Å; V140-L144 HydrophobicContact CB-CD1 3.87Å; V140-L144 HydrophobicContact CG1-CD1 3.87Å; V140-L144 HydrophobicContact CG1-CG 4.41Å; V140-L144 HydrophobicContact CG2-CD1 3.89Å; V140-S164 PolarHBondContact N-O 3.36Å; V140-V166 HydrophobicContact CG2-CG2 3.55Å | ||
| 141 | P | 82.4 | Confident | 83.7 | Confident | 131 Ų | 131 | 79.3 Ų | 79.3 | 85% | 0.851 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -79.2 | -1.2 | -173.3 | 31.5 | -36.1 | 0 | 0 | 0 | 114.5 | ||
| 142 | F | 87 | Confident | 83.4 | Confident | 120 Ų | 120 | 77 Ų | 77 | 53% | 0.526 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -118.1 | 147.8 | -179.9 | 51.7 | -93.6 | 0 | 0 | 0 | 111.2 | V140 L144 | V140-F142 HydrophobicContact CG1-CD1 3.37Å; V140-F142 HydrophobicContact CG1-CD2 3.74Å; V140-F142 HydrophobicContact CG1-CE1 3.12Å; V140-F142 HydrophobicContact CG1-CE2 3.53Å; V140-F142 HydrophobicContact CG1-CG 3.68Å; V140-F142 HydrophobicContact CG1-CZ 3.21Å; V140-F142 PolarHBondContact O-N 3.36Å; F142-L144 HydrophobicContact CD2-CD2 3.95Å; F142-L144 HydrophobicContact CD2-CG 3.9Å; F142-L144 HydrophobicContact CE2-CD1 4.27Å; F142-L144 HydrophobicContact CE2-CD2 3.47Å; F142-L144 VanDerWaalsContact CE2-CD2 3.47Å; F142-L144 HydrophobicContact CE2-CG 3.76Å; F142-L144 PolarHBondContact O-N 3.47Å |
| 143 | P | 77.4 | Confident | 83.1 | Confident | 132 Ų | 132 | 76.3 Ų | 76.3 | 86% | 0.857 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 121.4 | 178.3 | 27 | -33.7 | 0 | 0 | 0 | 109.7 | ||
| 144 | L | 77.8 | Confident | 82.9 | Confident | 35 Ų | 35 | 77.8 Ų | 77.8 | 18% | 0.183 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -102 | 138.6 | 178.4 | -82.1 | 167.9 | 0 | 0 | 0 | 110.5 | V140 F142 F148 L152 | V140-L144 HydrophobicContact CB-CD1 3.87Å; V140-L144 HydrophobicContact CG1-CD1 3.87Å; V140-L144 HydrophobicContact CG1-CG 4.41Å; V140-L144 HydrophobicContact CG2-CD1 3.89Å; F142-L144 HydrophobicContact CD2-CD2 3.95Å; F142-L144 HydrophobicContact CD2-CG 3.9Å; F142-L144 HydrophobicContact CE2-CD1 4.27Å; F142-L144 HydrophobicContact CE2-CD2 3.47Å; F142-L144 VanDerWaalsContact CE2-CD2 3.47Å; F142-L144 HydrophobicContact CE2-CG 3.76Å; F142-L144 PolarHBondContact O-N 3.47Å; L144-F148 HydrophobicContact CD2-CB 4.31Å; L144-F148 HydrophobicContact CD2-CD2 3.75Å; L144-F148 HydrophobicContact CD2-CE2 4.22Å; L144-F148 HydrophobicContact CD2-CG 4.01Å; L144-L152 HydrophobicContact CD1-CD1 3.32Å |
| 145 | T | 82.1 | Confident | 82.6 | Confident | 81 Ų | 81 | 77.2 Ų | 77.2 | 50% | 0.497 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 149.8 | 173.1 | 69.9 | 0 | 0 | 0 | 0 | 110.4 | R147 F148 | T145-R147 PolarHBondContact O-N 2.91Å; T145-F148 PolarHBondContact O-N 3.38Å; T145-F148 VanDerWaalsContact OG1-CD2 3.29Å; T145-F148 WeakPolarHBondContact OG1-CD2 3.39Å; T145-F148 WeakPolarHBondContact OG1-CE2 2.92Å |
| 146 | L | 80 | Confident | 82.4 | Confident | 130 Ų | 130 | 73.7 Ų | 73.7 | 68% | 0.681 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -56.1 | -19.6 | 179.6 | -172.9 | 61.9 | 0 | 0 | 0 | 113.5 | F148 K149 | L146-F148 PolarHBondContact O-N 2.94Å; L146-K149 HydrophobicContact CD1-CB 4.2Å; L146-K149 HydrophobicContact CD1-CD 3.63Å; L146-K149 WeakPolarHBondContact O-CB 3.25Å; L146-K149 PolarHBondContact O-N 2.89Å |
| 147 | R | 82.5 | Confident | 81.8 | Confident | 224 Ų | 224 | 82.4 Ų | 82.4 | 85% | 0.845 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -64.5 | -24.8 | 176.3 | -63.7 | -174.6 | 177.9 | -179.2 | 0.1 | 113.8 | T145 K149 | T145-R147 PolarHBondContact O-N 2.91Å; R147-K149 VanDerWaalsContact C-N 3.33Å |
| 148 | F | 80.8 | Confident | 81.3 | Confident | 92 Ų | 92 | 86.6 Ų | 86.6 | 40% | 0.404 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -82.9 | -11.4 | 177.5 | -67.7 | -77.4 | 0 | 0 | 0 | 113.2 | L144 T145 L146 M151 L152 | L144-F148 HydrophobicContact CD2-CB 4.31Å; L144-F148 HydrophobicContact CD2-CD2 3.75Å; L144-F148 HydrophobicContact CD2-CE2 4.22Å; L144-F148 HydrophobicContact CD2-CG 4.01Å; T145-F148 PolarHBondContact O-N 3.38Å; T145-F148 VanDerWaalsContact OG1-CD2 3.29Å; T145-F148 WeakPolarHBondContact OG1-CD2 3.39Å; T145-F148 WeakPolarHBondContact OG1-CE2 2.92Å; L146-F148 PolarHBondContact O-N 2.94Å; F148-M151 HydrophobicContact CD1-SD 4.35Å; F148-M151 WeakPolarHBondContact O-CB 3.05Å; F148-M151 PolarHBondContact O-N 2.77Å; F148-M151 VanDerWaalsContact O-N 3.07Å; F148-L152 HydrophobicContact CB-CD1 4.28Å; F148-L152 PolarHBondContact O-N 3.44Å |
| 149 | K | 81.2 | Confident | 80.6 | Confident | 38 Ų | 38 | 91.6 Ų | 91.6 | 17% | 0.165 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -54.3 | -51.8 | -178.1 | -171 | 170.3 | 178.2 | 162 | 0 | 114 | L146 R147 M151 L152 Q153 L159 L161 A163 | L146-K149 HydrophobicContact CD1-CB 4.2Å; L146-K149 HydrophobicContact CD1-CD 3.63Å; L146-K149 WeakPolarHBondContact O-CB 3.25Å; L146-K149 PolarHBondContact O-N 2.89Å; R147-K149 VanDerWaalsContact C-N 3.33Å; K149-M151 PolarHBondContact O-N 2.9Å; K149-L152 PolarHBondContact O-N 2.62Å; K149-Q153 HydrophobicContact CG-CG 4.42Å; K149-Q153 WeakPolarHBondContact O-CB 3.35Å; K149-Q153 PolarHBondContact O-N 3.31Å; K149-L159 PolarHBondContact NZ-O 2.65Å; K149-L161 WeakPolarHBondContact CE-O 3.46Å; K149-L161 PolarHBondContact NZ-O 3.19Å; K149-A163 HydrophobicContact CB-CB 4.13Å |
| 150 | P | 84.1 | Confident | 80.3 | Confident | 101 Ų | 101 | 93.4 Ų | 93.4 | 66% | 0.656 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.7 | -27 | 178.4 | 24.4 | -35 | 0 | 0 | 0 | 113.3 | ||
| 151 | M | 82.4 | Confident | 80 | Confident | 104 Ų | 104 | 93.1 Ų | 93.1 | 51% | 0.512 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -76.8 | -38.8 | 178 | -179.9 | -176.8 | 173.9 | 0 | 0 | 112.2 | F148 K149 S170 | F148-M151 HydrophobicContact CD1-SD 4.35Å; F148-M151 WeakPolarHBondContact O-CB 3.05Å; F148-M151 PolarHBondContact O-N 2.77Å; F148-M151 VanDerWaalsContact O-N 3.07Å; K149-M151 PolarHBondContact O-N 2.9Å; M151-S170 WeakPolarHBondContact O-CB 3.22Å; M151-S170 PolarHBondContact O-OG 2.84Å |
| 152 | L | 81.5 | Confident | 80 | Confident | 12 Ų | 12 | 91.3 Ų | 91.3 | 6% | 0.063 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -92.7 | -20.7 | -175 | -69.1 | 177.3 | 0 | 0 | 0 | 114.4 | L144 F148 K149 V166 S167 S170 | L144-L152 HydrophobicContact CD1-CD1 3.32Å; F148-L152 HydrophobicContact CB-CD1 4.28Å; F148-L152 PolarHBondContact O-N 3.44Å; K149-L152 PolarHBondContact O-N 2.62Å; L152-V166 HydrophobicContact CD2-CG1 4.41Å; L152-V166 HydrophobicContact CD2-CG2 4.31Å; L152-S167 PolarHBondContact O-N 2.7Å; L152-S167 PolarHBondContact O-OG 3.3Å; L152-S170 VanDerWaalsContact CA-OG 3.24Å; L152-S170 WeakPolarHBondContact CA-OG 3.19Å; L152-S170 VanDerWaalsContact O-CB 3.25Å; L152-S170 WeakPolarHBondContact O-CB 3.47Å; L152-S170 PolarHBondContact O-OG 3.42Å |
| 153 | Q | 82.6 | Confident | 79.6 | Confident | 13 Ų | 13 | 85.8 Ų | 85.8 | 6% | 0.061 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -113.5 | 25.3 | -178.3 | -62.6 | -176.9 | -0.9 | 0 | 0 | 112.2 | K149 G155 I156 L161 D162 W165 | K149-Q153 HydrophobicContact CG-CG 4.42Å; K149-Q153 WeakPolarHBondContact O-CB 3.35Å; K149-Q153 PolarHBondContact O-N 3.31Å; Q153-G155 PolarHBondContact O-N 3.38Å; Q153-I156 PolarHBondContact O-N 2.84Å; Q153-L161 HydrophobicContact CG-CD2 4.43Å; Q153-D162 PolarHBondContact NE2-O 3.25Å; Q153-W165 WeakPolarHBondContact CG-O 3.05Å |
| 154 | Q | 80.4 | Confident | 79.9 | Confident | 95 Ų | 95 | 79.8 Ų | 79.8 | 44% | 0.444 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 127.6 | 174.2 | -170.4 | 176.6 | 2.9 | 0 | 0 | 109.4 | S167 | Q154-S167 VanDerWaalsContact O-CB 3.32Å; Q154-S167 WeakPolarHBondContact O-CB 3.45Å; Q154-S167 PolarHBondContact O-OG 3.42Å |
| 155 | G | 78.9 | Confident | 80.3 | Confident | 34 Ų | 34 | 79.4 Ų | 79.4 | 35% | 0.351 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 10.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S133 G134 Q153 | S133-G155 PolarHBondContact OG-O 2.7Å; G134-G155 PolarHBondContact N-O 2.76Å; Q153-G155 PolarHBondContact O-N 3.38Å |
| 156 | I | 81.4 | Confident | 80.7 | Confident | 22 Ų | 22 | 75.5 Ų | 75.5 | 11% | 0.113 | 39% | 0.385 | C | S | . | . | trans | -122.5 | 124.7 | 175 | -53.3 | -177.8 | 0 | 0 | 0 | 109.5 | V136 Q153 L158 L161 | V136-I156 HydrophobicContact CG2-CD1 3.61Å; Q153-I156 PolarHBondContact O-N 2.84Å; I156-L158 VanDerWaalsContact C-N 3.31Å; I156-L158 HydrophobicContact CG2-CB 3.88Å; I156-L158 HydrophobicContact CG2-CD1 3.74Å; I156-L158 HydrophobicContact CG2-CG 4.09Å; I156-L158 PolarHBondContact O-N 2.85Å; I156-L161 HydrophobicContact CG2-CD2 4.47Å | ||
| 157 | E | 75 | Confident | 81.1 | Confident | 195 Ų | 195 | 69.4 Ų | 69.4 | 91% | 0.911 | 35% | 0.353 | S | S | * | . | trans | -91.6 | 22.4 | -178.2 | -62 | -174.7 | 169.2 | 0 | 0 | 113.7 | L159 | E157-L159 PolarHBondContact O-N 2.88Š| ||
| 158 | L | 74.5 | Confident | 81.5 | Confident | 91 Ų | 91 | 58.8 Ų | 58.8 | 48% | 0.476 | 31% | 0.313 | S | S | . | . | trans | -94.8 | 92.3 | -176.5 | -74.5 | 155.1 | 0 | 0 | 0 | 111.5 | I156 T160 L161 | I156-L158 VanDerWaalsContact C-N 3.31Å; I156-L158 HydrophobicContact CG2-CB 3.88Å; I156-L158 HydrophobicContact CG2-CD1 3.74Å; I156-L158 HydrophobicContact CG2-CG 4.09Å; I156-L158 PolarHBondContact O-N 2.85Å; L158-T160 PolarHBondContact O-N 3Å; L158-L161 HydrophobicContact CB-CB 4.04Å; L158-L161 WeakPolarHBondContact O-CB 3.38Å; L158-L161 PolarHBondContact O-N 2.87Å | ||
| 159 | L | 71.2 | Confident | 81.9 | Confident | 155 Ų | 155 | 54.8 Ų | 54.8 | 81% | 0.812 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -27.2 | 178.5 | -69.6 | 173.6 | 0 | 0 | 0 | 113.8 | K149 E157 L161 | K149-L159 PolarHBondContact NZ-O 2.65Å; E157-L159 PolarHBondContact O-N 2.88Å; L159-L161 VanDerWaalsContact C-N 3.35Å |
| 160 | T | 78.1 | Confident | 82.2 | Confident | 137 Ų | 137 | 53.1 Ų | 53.1 | 84% | 0.84 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -7.1 | -178.5 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | L158 | L158-T160 PolarHBondContact O-N 3Š|
| 161 | L | 78.2 | Confident | 82.5 | Confident | 13 Ų | 13 | 50.7 Ų | 50.7 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -71.5 | 134.2 | -178.4 | -166.6 | 66.4 | 0 | 0 | 0 | 110.9 | L6 V136 K149 Q153 I156 L158 L159 W165 | L6-L161 HydrophobicContact CD1-CD1 4.26Å; V136-L161 HydrophobicContact CG2-CD2 3.86Å; K149-L161 WeakPolarHBondContact CE-O 3.46Å; K149-L161 PolarHBondContact NZ-O 3.19Å; Q153-L161 HydrophobicContact CG-CD2 4.43Å; I156-L161 HydrophobicContact CG2-CD2 4.47Å; L158-L161 HydrophobicContact CB-CB 4.04Å; L158-L161 WeakPolarHBondContact O-CB 3.38Å; L158-L161 PolarHBondContact O-N 2.87Å; L159-L161 VanDerWaalsContact C-N 3.35Å; L161-W165 HydrophobicContact CD1-CB 4.19Å; L161-W165 HydrophobicContact CD1-CG 3.78Å; L161-W165 HydrophobicContact CD2-CB 3.69Å; L161-W165 HydrophobicContact CD2-CG 4.2Å; L161-W165 HydrophobicContact CG-CB 3.84Å; L161-W165 HydrophobicContact CG-CG 3.93Å |
| 162 | D | 82.1 | Confident | 82.9 | Confident | 93 Ų | 93 | 46.1 Ų | 46.1 | 50% | 0.497 | 25% | 0.245 | S | C | . | . | trans | -64 | 142.3 | 175.4 | -179.8 | 31.9 | 0 | 0 | 0 | 111.4 | Q153 S164 W165 | Q153-D162 PolarHBondContact NE2-O 3.25Å; D162-S164 PolarHBondContact O-N 3.19Å; D162-S164 WeakPolarHBondContact OD2-CB 3.49Å; D162-S164 PolarHBondContact OD2-OG 3.43Å; D162-W165 PolarHBondContact O-N 3.18Å; D162-W165 VanDerWaalsContact O-N 3.13Å | ||
| 163 | A | 79.8 | Confident | 83.1 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -12.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K149 W165 | K149-A163 HydrophobicContact CB-CB 4.13Å; A163-W165 VanDerWaalsContact C-N 3.26Å; A163-W165 PolarHBondContact O-N 3.42Å |
| 164 | S | 83.8 | Confident | 83.4 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -18.6 | 174.6 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | K139 V140 D162 | K139-S164 WeakPolarHBondContact CA-O 3.42Å; K139-S164 WeakPolarHBondContact CE-OG 2.99Å; V140-S164 PolarHBondContact N-O 3.36Å; D162-S164 PolarHBondContact O-N 3.19Å; D162-S164 WeakPolarHBondContact OD2-CB 3.49Å; D162-S164 PolarHBondContact OD2-OG 3.43Å |
| 165 | W | 86 | Confident | 83.8 | Confident | 26 Ų | 26 | 48 Ų | 48 | 10% | 0.098 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 134.7 | -180 | -68.2 | 106.1 | 0 | 0 | 0 | 112.6 | L6 L8 V136 K139 Q153 L161 D162 A163 | L6-W165 HydrophobicContact CB-CH2 4.1Å; L6-W165 HydrophobicContact CB-CZ2 3.55Å; L6-W165 WeakPolarHBondContact O-CH2 3.28Å; L8-W165 HydrophobicContact CD1-CE3 4.24Å; L8-W165 HydrophobicContact CD1-CH2 4.17Å; L8-W165 HydrophobicContact CD1-CZ3 3.4Å; L8-W165 VanDerWaalsContact CD1-CZ3 3.4Å; L8-W165 HydrophobicContact CG-CH2 4.2Å; L8-W165 HydrophobicContact CG-CZ3 3.82Å; V136-W165 HydrophobicContact CG1-CB 3.85Å; V136-W165 HydrophobicContact CG1-CD2 3.9Å; V136-W165 HydrophobicContact CG1-CE3 3.36Å; V136-W165 HydrophobicContact CG1-CG 4.16Å; V136-W165 HydrophobicContact CG1-CZ3 4.18Å; K139-W165 HydrophobicContact CB-CD2 4.35Å; K139-W165 HydrophobicContact CB-CE3 3.82Å; K139-W165 HydrophobicContact CB-CH2 4.17Å; K139-W165 HydrophobicContact CB-CZ3 3.71Å; K139-W165 HydrophobicContact CD-CH2 4.32Å; K139-W165 HydrophobicContact CD-CZ2 4.17Å; K139-W165 HydrophobicContact CG-CD2 4.47Å; K139-W165 HydrophobicContact CG-CE3 4.42Å; K139-W165 HydrophobicContact CG-CZ3 4.5Å; Q153-W165 WeakPolarHBondContact CG-O 3.05Å; L161-W165 HydrophobicContact CD1-CB 4.19Å; L161-W165 HydrophobicContact CD1-CG 3.78Å; L161-W165 HydrophobicContact CD2-CB 3.69Å; L161-W165 HydrophobicContact CD2-CG 4.2Å; L161-W165 HydrophobicContact CG-CB 3.84Å; L161-W165 HydrophobicContact CG-CG 3.93Å; D162-W165 PolarHBondContact O-N 3.18Å; D162-W165 VanDerWaalsContact O-N 3.13Å; A163-W165 VanDerWaalsContact C-N 3.26Å; A163-W165 PolarHBondContact O-N 3.42Å |
| 166 | V | 89.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.7 | -175.2 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | T137 T138 V140 L152 W171 L174 | T137-V166 PolarHBondContact N-O 3.09Å; T137-V166 PolarHBondContact OG1-O 3.06Å; T138-V166 HydrophobicContact CG2-CB 3.93Å; T138-V166 HydrophobicContact CG2-CG2 4Å; T138-V166 WeakPolarHBondContact O-CB 3.28Å; T138-V166 PolarHBondContact O-N 3.16Å; V140-V166 HydrophobicContact CG2-CG2 3.55Å; L152-V166 HydrophobicContact CD2-CG1 4.41Å; L152-V166 HydrophobicContact CD2-CG2 4.31Å; V166-W171 HydrophobicContact CG1-CB 4.21Å; V166-L174 HydrophobicContact CG1-CD1 3.95Å; V166-L174 HydrophobicContact CG2-CD1 4.4Å |
| 167 | S | 90.2 | Very high | 84.2 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 163.4 | 173 | 78.6 | 0 | 0 | 0 | 0 | 112.3 | F135 L152 Q154 A169 S170 W171 | F135-S167 WeakPolarHBondContact O-CA 3.48Å; L152-S167 PolarHBondContact O-N 2.7Å; L152-S167 PolarHBondContact O-OG 3.3Å; Q154-S167 VanDerWaalsContact O-CB 3.32Å; Q154-S167 WeakPolarHBondContact O-CB 3.45Å; Q154-S167 PolarHBondContact O-OG 3.42Å; S167-A169 VanDerWaalsContact C-N 3.26Å; S167-A169 PolarHBondContact O-N 2.96Å; S167-A169 PolarHBondContact OG-N 3.35Å; S167-S170 PolarHBondContact O-N 3.28Å; S167-S170 PolarHBondContact OG-N 2.89Å; S167-S170 PolarHBondContact OG-OG 3.34Å; S167-W171 WeakPolarHBondContact O-CB 3.5Å; S167-W171 PolarHBondContact O-N 2.77Å |
| 168 | S | 89.8 | Confident | 84.7 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.5 | -38.3 | 173.4 | -53.8 | 0 | 0 | 0 | 0 | 113.3 | F132 F135 W171 Y172 | F132-S168 WeakPolarHBondContact O-CB 3.34Å; F132-S168 PolarHBondContact O-OG 3.47Å; F135-S168 WeakPolarHBondContact CB-OG 3.48Å; F135-S168 PolarHBondContact O-N 2.84Å; F135-S168 VanDerWaalsContact O-N 3.16Å; F135-S168 PolarHBondContact O-OG 3.33Å; S168-W171 PolarHBondContact O-N 3Å; S168-Y172 PolarHBondContact O-N 3.24Å |
| 169 | A | 88.5 | Confident | 85.3 | Confident | 8 Ų | 8 | 40 Ų | 40 | 7% | 0.066 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.3 | -45.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I128 S167 W171 Y172 F173 | I128-A169 HydrophobicContact CG2-CB 4.47Å; S167-A169 VanDerWaalsContact C-N 3.26Å; S167-A169 PolarHBondContact O-N 2.96Å; S167-A169 PolarHBondContact OG-N 3.35Å; A169-W171 VanDerWaalsContact C-N 3.34Å; A169-Y172 WeakPolarHBondContact O-CB 3.19Å; A169-Y172 PolarHBondContact O-N 3.36Å; A169-F173 WeakPolarHBondContact O-CD2 3.22Å; A169-F173 PolarHBondContact O-N 3.06Å |
| 170 | S | 88.5 | Confident | 85.7 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.1 | -31.3 | 178.8 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | M151 L152 S167 Y172 F173 L174 | M151-S170 WeakPolarHBondContact O-CB 3.22Å; M151-S170 PolarHBondContact O-OG 2.84Å; L152-S170 VanDerWaalsContact CA-OG 3.24Å; L152-S170 WeakPolarHBondContact CA-OG 3.19Å; L152-S170 VanDerWaalsContact O-CB 3.25Å; L152-S170 WeakPolarHBondContact O-CB 3.47Å; L152-S170 PolarHBondContact O-OG 3.42Å; S167-S170 PolarHBondContact O-N 3.28Å; S167-S170 PolarHBondContact OG-N 2.89Å; S167-S170 PolarHBondContact OG-OG 3.34Å; S170-Y172 VanDerWaalsContact C-N 3.31Å; S170-Y172 PolarHBondContact O-N 2.8Å; S170-F173 WeakPolarHBondContact O-CB 3.27Å; S170-F173 PolarHBondContact O-N 3.24Å; S170-L174 WeakPolarHBondContact O-CG 3.49Å; S170-L174 PolarHBondContact O-N 2.88Å |
| 171 | W | 90.6 | Very high | 85.9 | Confident | 51 Ų | 51 | 32.5 Ų | 32.5 | 19% | 0.193 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -40.7 | 171.4 | 178.4 | -115.1 | 0 | 0 | 0 | 112.1 | V17 V21 T137 T138 V166 S167 S168 A169 L174 N175 | V17-W171 HydrophobicContact CG1-CZ2 3.59Å; V21-W171 HydrophobicContact CG2-CZ2 3.87Å; T137-W171 HydrophobicContact CG2-CB 4.23Å; T137-W171 HydrophobicContact CG2-CG 4.46Å; T138-W171 HydrophobicContact CG2-CE3 3.79Å; T138-W171 HydrophobicContact CG2-CZ3 3.9Å; V166-W171 HydrophobicContact CG1-CB 4.21Å; S167-W171 WeakPolarHBondContact O-CB 3.5Å; S167-W171 PolarHBondContact O-N 2.77Å; S168-W171 PolarHBondContact O-N 3Å; A169-W171 VanDerWaalsContact C-N 3.34Å; W171-L174 HydrophobicContact CE3-CB 4.48Å; W171-L174 HydrophobicContact CE3-CD1 4.22Å; W171-L174 PolarHBondContact O-N 3.37Å; W171-N175 VanDerWaalsContact CD1-ND2 3.31Å; W171-N175 VanDerWaalsContact CE2-ND2 3.32Å; W171-N175 WeakPolarHBondContact CZ2-OD1 3.08Å; W171-N175 PolarHBondContact NE1-ND2 2.85Å; W171-N175 PolarHBondContact O-N 3.11Å; W171-N175 PolarHBondContact O-ND2 2.95Å; W171-N175 VanDerWaalsContact O-ND2 3.13Å |
| 172 | Y | 89.7 | Confident | 86.3 | Confident | 8 Ų | 8 | 35.4 Ų | 35.4 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 171.8 | 162.7 | -105.6 | 0 | 0 | 0 | 112.4 | T24 I124 I128 S168 A169 S170 L174 N175 V176 | T24-Y172 HydrophobicContact CG2-CD2 3.94Å; T24-Y172 HydrophobicContact CG2-CE2 3.79Å; T24-Y172 WeakPolarHBondContact OG1-CD2 3.4Å; I124-Y172 HydrophobicContact CB-CD2 4.5Å; I124-Y172 HydrophobicContact CB-CE1 4.48Å; I124-Y172 HydrophobicContact CB-CE2 3.82Å; I124-Y172 HydrophobicContact CD1-CE2 3.87Å; I124-Y172 HydrophobicContact CG1-CE2 4.47Å; I124-Y172 HydrophobicContact CG2-CD2 3.53Å; I124-Y172 HydrophobicContact CG2-CE1 4.34Å; I124-Y172 HydrophobicContact CG2-CE2 3.29Å; I124-Y172 HydrophobicContact CG2-CG 4.15Å; I128-Y172 HydrophobicContact CD1-CD1 4.37Å; I128-Y172 HydrophobicContact CD1-CD2 3.91Å; I128-Y172 HydrophobicContact CD1-CG 3.61Å; S168-Y172 PolarHBondContact O-N 3.24Å; A169-Y172 WeakPolarHBondContact O-CB 3.19Å; A169-Y172 PolarHBondContact O-N 3.36Å; S170-Y172 VanDerWaalsContact C-N 3.31Å; S170-Y172 PolarHBondContact O-N 2.8Å; Y172-L174 VanDerWaalsContact C-N 3.28Å; Y172-L174 PolarHBondContact O-N 3.03Å; Y172-N175 WeakPolarHBondContact O-CB 3.19Å; Y172-N175 PolarHBondContact O-N 3.49Å; Y172-N175 VanDerWaalsContact O-N 3.08Å; Y172-V176 HydrophobicContact CD1-CG2 4.47Å; Y172-V176 HydrophobicContact CD2-CG2 3.95Å; Y172-V176 HydrophobicContact CE1-CG2 4Å; Y172-V176 HydrophobicContact CE2-CG2 3.41Å; Y172-V176 VanDerWaalsContact CE2-CG2 3.41Å; Y172-V176 HydrophobicContact CG-CG2 4.45Å; Y172-V176 VanDerWaalsContact CZ-CG2 3.44Å; Y172-V176 WeakPolarHBondContact O-CG2 3.5Å; Y172-V176 PolarHBondContact O-N 3.41Å |
| 173 | F | 87 | Confident | 86.4 | Confident | 78 Ų | 78 | 31.5 Ų | 31.5 | 34% | 0.342 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -56.2 | -46 | 175 | -76.3 | -64.7 | 0 | 0 | 0 | 111.1 | A169 S170 N175 V176 F177 | A169-F173 WeakPolarHBondContact O-CD2 3.22Å; A169-F173 PolarHBondContact O-N 3.06Å; S170-F173 WeakPolarHBondContact O-CB 3.27Å; S170-F173 PolarHBondContact O-N 3.24Å; F173-N175 VanDerWaalsContact C-N 3.32Å; F173-N175 PolarHBondContact O-N 3.06Å; F173-V176 WeakPolarHBondContact O-CB 2.95Å; F173-V176 PolarHBondContact O-N 3.41Å; F173-V176 VanDerWaalsContact O-N 3.15Å; F173-F177 HydrophobicContact CB-CE2 4.48Å; F173-F177 WeakPolarHBondContact O-CD2 3.25Å; F173-F177 PolarHBondContact O-N 2.92Å; F173-F177 VanDerWaalsContact O-N 3.15Å |
| 174 | L | 88.7 | Confident | 86.5 | Confident | 66 Ų | 66 | 33.7 Ų | 33.7 | 35% | 0.346 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.8 | -41 | 175.5 | -68.7 | 178.3 | 0 | 0 | 0 | 112.6 | V166 S170 W171 Y172 F177 G178 | V166-L174 HydrophobicContact CG1-CD1 3.95Å; V166-L174 HydrophobicContact CG2-CD1 4.4Å; S170-L174 WeakPolarHBondContact O-CG 3.49Å; S170-L174 PolarHBondContact O-N 2.88Å; W171-L174 HydrophobicContact CE3-CB 4.48Å; W171-L174 HydrophobicContact CE3-CD1 4.22Å; W171-L174 PolarHBondContact O-N 3.37Å; Y172-L174 VanDerWaalsContact C-N 3.28Å; Y172-L174 PolarHBondContact O-N 3.03Å; L174-F177 PolarHBondContact O-N 2.86Å; L174-G178 PolarHBondContact O-N 3.13Å |
| 175 | N | 89.5 | Confident | 86.5 | Confident | 15 Ų | 15 | 40.6 Ų | 40.6 | 8% | 0.08 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.2 | -39.8 | 175.4 | -70.4 | -39.3 | 0 | 0 | 0 | 112.2 | T24 W171 Y172 F173 F177 G178 L179 | T24-N175 HydrophobicContact CG2-CB 4Å; W171-N175 VanDerWaalsContact CD1-ND2 3.31Å; W171-N175 VanDerWaalsContact CE2-ND2 3.32Å; W171-N175 WeakPolarHBondContact CZ2-OD1 3.08Å; W171-N175 PolarHBondContact NE1-ND2 2.85Å; W171-N175 PolarHBondContact O-N 3.11Å; W171-N175 PolarHBondContact O-ND2 2.95Å; W171-N175 VanDerWaalsContact O-ND2 3.13Å; Y172-N175 WeakPolarHBondContact O-CB 3.19Å; Y172-N175 PolarHBondContact O-N 3.49Å; Y172-N175 VanDerWaalsContact O-N 3.08Å; F173-N175 VanDerWaalsContact C-N 3.32Å; F173-N175 PolarHBondContact O-N 3.06Å; N175-F177 PolarHBondContact O-N 2.9Å; N175-G178 PolarHBondContact O-N 2.97Å; N175-L179 HydrophobicContact CB-CD1 4.28Å; N175-L179 WeakPolarHBondContact O-CB 3.03Å; N175-L179 WeakPolarHBondContact O-CG 3.42Å; N175-L179 PolarHBondContact O-N 3.44Å |
| 176 | V | 84.8 | Confident | 86.5 | Confident | 17 Ų | 17 | 43.9 Ų | 43.9 | 10% | 0.103 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -35 | 176.4 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | T24 Y172 F173 R180 Q195 | T24-V176 HydrophobicContact CG2-CG2 3.87Å; Y172-V176 HydrophobicContact CD1-CG2 4.47Å; Y172-V176 HydrophobicContact CD2-CG2 3.95Å; Y172-V176 HydrophobicContact CE1-CG2 4Å; Y172-V176 HydrophobicContact CE2-CG2 3.41Å; Y172-V176 VanDerWaalsContact CE2-CG2 3.41Å; Y172-V176 HydrophobicContact CG-CG2 4.45Å; Y172-V176 VanDerWaalsContact CZ-CG2 3.44Å; Y172-V176 WeakPolarHBondContact O-CG2 3.5Å; Y172-V176 PolarHBondContact O-N 3.41Å; F173-V176 WeakPolarHBondContact O-CB 2.95Å; F173-V176 PolarHBondContact O-N 3.41Å; F173-V176 VanDerWaalsContact O-N 3.15Å; V176-R180 WeakPolarHBondContact O-CG 3.45Å; V176-Q195 VanDerWaalsContact CG1-NE2 3.3Å |
| 177 | F | 83.1 | Confident | 86 | Confident | 96 Ų | 96 | 45.3 Ų | 45.3 | 42% | 0.421 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -82.1 | -40.8 | 174.5 | -64.5 | -75 | 0 | 0 | 0 | 113.1 | F173 L174 N175 R180 | F173-F177 HydrophobicContact CB-CE2 4.48Å; F173-F177 WeakPolarHBondContact O-CD2 3.25Å; F173-F177 PolarHBondContact O-N 2.92Å; F173-F177 VanDerWaalsContact O-N 3.15Å; L174-F177 PolarHBondContact O-N 2.86Å; N175-F177 PolarHBondContact O-N 2.9Å; F177-R180 VanDerWaalsContact O-CB 3.31Å; F177-R180 WeakPolarHBondContact O-CB 3.27Å; F177-R180 WeakPolarHBondContact O-CD 3.12Å; F177-R180 WeakPolarHBondContact O-CG 3.11Å; F177-R180 PolarHBondContact O-N 3.05Å |
| 178 | G | 85.7 | Confident | 85.4 | Confident | 48 Ų | 48 | 46.7 Ų | 46.7 | 50% | 0.495 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -73.3 | -35.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L174 N175 R180 | L174-G178 PolarHBondContact O-N 3.13Å; N175-G178 PolarHBondContact O-N 2.97Å; G178-R180 PolarHBondContact O-N 3.06Å |
| 179 | L | 86.3 | Confident | 84.4 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72 | -8.8 | 178 | -65.6 | 175.5 | 0 | 0 | 0 | 112.8 | T24 F25 N175 S181 I182 Y183 | T24-L179 HydrophobicContact CG2-CD1 3.91Å; F25-L179 HydrophobicContact CB-CD1 4.18Å; N175-L179 HydrophobicContact CB-CD1 4.28Å; N175-L179 WeakPolarHBondContact O-CB 3.03Å; N175-L179 WeakPolarHBondContact O-CG 3.42Å; N175-L179 PolarHBondContact O-N 3.44Å; L179-S181 VanDerWaalsContact C-N 3.35Å; L179-S181 PolarHBondContact O-N 3.23Å; L179-I182 HydrophobicContact CD2-CD1 3.62Å; L179-I182 WeakPolarHBondContact O-CB 3.39Å; L179-I182 PolarHBondContact O-N 2.99Å; L179-I182 VanDerWaalsContact O-N 3.09Å; L179-Y183 HydrophobicContact CB-CD2 4.25Å; L179-Y183 HydrophobicContact CB-CE2 3.72Å; L179-Y183 WeakPolarHBondContact O-CD2 3.44Å; L179-Y183 PolarHBondContact O-N 3.43Å |
| 180 | R | 79.5 | Confident | 83.3 | Confident | 50 Ų | 50 | 60.1 Ų | 60.1 | 19% | 0.189 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.6 | -46.3 | 177.9 | -67.7 | 179.8 | -176.5 | -156.6 | 2.1 | 112.7 | V176 F177 G178 I182 Y183 S184 D194 S196 | V176-R180 WeakPolarHBondContact O-CG 3.45Å; F177-R180 VanDerWaalsContact O-CB 3.31Å; F177-R180 WeakPolarHBondContact O-CB 3.27Å; F177-R180 WeakPolarHBondContact O-CD 3.12Å; F177-R180 WeakPolarHBondContact O-CG 3.11Å; F177-R180 PolarHBondContact O-N 3.05Å; G178-R180 PolarHBondContact O-N 3.06Å; R180-I182 PolarHBondContact O-N 3.49Å; R180-Y183 PolarHBondContact O-N 3.32Å; R180-S184 PolarHBondContact O-N 3.46Å; R180-D194 IonicContact CZ-OD1 3.74Å; R180-D194 IonicContact NE-OD1 2.79Å; R180-D194 IonicContact NH1-OD1 3.35Å; R180-D194 PolarHBondContact NH1-OD1 2.99Å; R180-S196 PolarHBondContact NH1-OG 3.35Å |
| 181 | S | 83.1 | Confident | 82.2 | Confident | 84 Ų | 84 | 60.4 Ų | 60.4 | 59% | 0.587 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.2 | -37.1 | 178.8 | -53.2 | 0 | 0 | 0 | 0 | 111 | L179 S184 L185 | L179-S181 VanDerWaalsContact C-N 3.35Å; L179-S181 PolarHBondContact O-N 3.23Å; S181-S184 PolarHBondContact O-N 3.26Å; S181-L185 VanDerWaalsContact O-CG 3.3Å; S181-L185 WeakPolarHBondContact O-CG 3.41Å; S181-L185 PolarHBondContact O-N 3.39Å; S181-L185 VanDerWaalsContact O-N 3.11Å |
| 182 | I | 85.9 | Confident | 81 | Confident | 74 Ų | 74 | 58.9 Ų | 58.9 | 38% | 0.379 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.6 | -43.9 | 177.1 | -57.7 | 176.2 | 0 | 0 | 0 | 110.4 | F25 L179 R180 S184 L185 I186 | F25-I182 HydrophobicContact CE2-CG2 4.08Å; L179-I182 HydrophobicContact CD2-CD1 3.62Å; L179-I182 WeakPolarHBondContact O-CB 3.39Å; L179-I182 PolarHBondContact O-N 2.99Å; L179-I182 VanDerWaalsContact O-N 3.09Å; R180-I182 PolarHBondContact O-N 3.49Å; I182-S184 VanDerWaalsContact C-N 3.32Å; I182-S184 PolarHBondContact O-N 2.83Å; I182-L185 PolarHBondContact O-N 3.24Å; I182-I186 HydrophobicContact CG2-CD1 3.61Å; I182-I186 HydrophobicContact CG2-CG1 4.35Å; I182-I186 WeakPolarHBondContact O-CG1 3.35Å; I182-I186 PolarHBondContact O-N 2.95Å |
| 183 | Y | 84.6 | Confident | 79.5 | Confident | 12 Ų | 12 | 59 Ų | 59 | 5% | 0.047 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 174.2 | -64.7 | -44.2 | 0 | 0 | 0 | 112.4 | T24 F25 G28 M29 L179 R180 L185 I186 L187 N191 A193 | T24-Y183 PolarHBondContact O-OH 2.98Å; F25-Y183 WeakPolarHBondContact CA-OH 3.21Å; F25-Y183 AromaticContact CD2-CE1 3.87Å; F25-Y183 HydrophobicContact CD2-CE1 3.87Å; F25-Y183 HydrophobicContact CE2-CD1 4.48Å; F25-Y183 HydrophobicContact CE2-CE1 4.03Å; F25-Y183 PolarHBondContact O-OH 2.9Å; G28-Y183 WeakPolarHBondContact CA-OH 3.43Å; M29-Y183 HydrophobicContact CG-CE1 4.34Å; L179-Y183 HydrophobicContact CB-CD2 4.25Å; L179-Y183 HydrophobicContact CB-CE2 3.72Å; L179-Y183 WeakPolarHBondContact O-CD2 3.44Å; L179-Y183 PolarHBondContact O-N 3.43Å; R180-Y183 PolarHBondContact O-N 3.32Å; Y183-L185 VanDerWaalsContact C-N 3.27Å; Y183-L185 PolarHBondContact O-N 3.33Å; Y183-I186 PolarHBondContact O-N 3.03Å; Y183-L187 HydrophobicContact CD1-CD1 3.98Å; Y183-L187 HydrophobicContact CG-CD1 4.38Å; Y183-L187 WeakPolarHBondContact O-CA 3.3Å; Y183-L187 VanDerWaalsContact O-CB 3.27Å; Y183-L187 WeakPolarHBondContact O-CB 3.35Å; Y183-L187 PolarHBondContact O-N 2.73Å; Y183-N191 PolarHBondContact O-ND2 3.09Å; Y183-A193 HydrophobicContact CD2-CB 4.06Å; Y183-A193 HydrophobicContact CG-CB 4.34Å |
| 184 | S | 81.5 | Confident | 78.4 | Confident | 49 Ų | 49 | 57 Ų | 57 | 34% | 0.343 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.7 | -36.6 | 176.1 | -174.2 | 0 | 0 | 0 | 0 | 111.9 | R180 S181 I182 G188 N191 | R180-S184 PolarHBondContact O-N 3.46Å; S181-S184 PolarHBondContact O-N 3.26Å; I182-S184 VanDerWaalsContact C-N 3.32Å; I182-S184 PolarHBondContact O-N 2.83Å; S184-G188 CarbonylContact O-C 3.39Å; S184-G188 VanDerWaalsContact O-C 3.27Å; S184-G188 VanDerWaalsContact O-CA 3.23Å; S184-G188 WeakPolarHBondContact O-CA 3.13Å; S184-G188 PolarHBondContact O-N 3.27Å; S184-N191 WeakPolarHBondContact CA-ND2 3.29Å; S184-N191 PolarHBondContact N-ND2 2.98Å |
| 185 | L | 84.6 | Confident | 77.2 | Confident | 152 Ų | 152 | 55.5 Ų | 55.5 | 80% | 0.796 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -71.8 | -40.7 | 175.6 | -69 | 170.1 | 0 | 0 | 0 | 113 | S181 I182 Y183 | S181-L185 VanDerWaalsContact O-CG 3.3Å; S181-L185 WeakPolarHBondContact O-CG 3.41Å; S181-L185 PolarHBondContact O-N 3.39Å; S181-L185 VanDerWaalsContact O-N 3.11Å; I182-L185 PolarHBondContact O-N 3.24Å; Y183-L185 VanDerWaalsContact C-N 3.27Å; Y183-L185 PolarHBondContact O-N 3.33Å |
| 186 | I | 84.8 | Confident | 75.8 | Confident | 96 Ų | 96 | 57.4 Ų | 57.4 | 49% | 0.492 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -85 | -42.5 | -174.1 | -63.4 | 173.2 | 0 | 0 | 0 | 112.3 | F25 I182 Y183 | F25-I186 HydrophobicContact CE2-CD1 3.95Å; F25-I186 HydrophobicContact CZ-CD1 3.89Å; I182-I186 HydrophobicContact CG2-CD1 3.61Å; I182-I186 HydrophobicContact CG2-CG1 4.35Å; I182-I186 WeakPolarHBondContact O-CG1 3.35Å; I182-I186 PolarHBondContact O-N 2.95Å; Y183-I186 PolarHBondContact O-N 3.03Å |
| 187 | L | 80.2 | Confident | 74.5 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -104.2 | -5.4 | -170.8 | -54.8 | 172.2 | 0 | 0 | 0 | 112.6 | H32 Y183 N191 | H32-L187 HydrophobicContact CB-CD1 3.8Å; Y183-L187 HydrophobicContact CD1-CD1 3.98Å; Y183-L187 HydrophobicContact CG-CD1 4.38Å; Y183-L187 WeakPolarHBondContact O-CA 3.3Å; Y183-L187 VanDerWaalsContact O-CB 3.27Å; Y183-L187 WeakPolarHBondContact O-CB 3.35Å; Y183-L187 PolarHBondContact O-N 2.73Å; L187-N191 HydrophobicContact CB-CB 3.88Å |
| 188 | G | 77.4 | Confident | 73.3 | Confident | 31 Ų | 31 | 59.2 Ų | 59.2 | 32% | 0.32 | 33% | 0.331 | S | S | . | . | trans | 89 | 172.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S184 D190 N191 | S184-G188 CarbonylContact O-C 3.39Å; S184-G188 VanDerWaalsContact O-C 3.27Å; S184-G188 VanDerWaalsContact O-CA 3.23Å; S184-G188 WeakPolarHBondContact O-CA 3.13Å; S184-G188 PolarHBondContact O-N 3.27Å; G188-D190 VanDerWaalsContact C-N 3.31Å; G188-D190 PolarHBondContact O-N 2.94Å; G188-N191 PolarHBondContact O-ND2 3.02Å; G188-N191 VanDerWaalsContact O-ND2 3.1Å | ||
| 189 | Q | 69 | Low | 72 | Confident | 171 Ų | 171 | 63.2 Ų | 63.2 | 80% | 0.799 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -29.2 | -177.8 | -69.1 | -175.9 | -13.3 | 0 | 0 | 113 | N191 | Q189-N191 VanDerWaalsContact C-N 3.27Å; Q189-N191 PolarHBondContact O-N 3.33Å |
| 190 | D | 64.6 | Low | 70.6 | Confident | 119 Ų | 119 | 68.8 Ų | 68.8 | 64% | 0.636 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 33.9 | 179.7 | -69.7 | -48 | 0 | 0 | 0 | 113.5 | G188 R197 | G188-D190 VanDerWaalsContact C-N 3.31Å; G188-D190 PolarHBondContact O-N 2.94Å; D190-R197 IonicContact OD1-CZ 2.7Å; D190-R197 IonicContact OD1-NH1 2.81Å; D190-R197 PolarHBondContact OD1-NH1 3.41Å; D190-R197 IonicContact OD1-NH2 3.67Å; D190-R197 PolarHBondContact OD1-NH2 3.18Å |
| 191 | N | 66.3 | Low | 69.6 | Low | 8 Ų | 8 | 72.1 Ų | 72.1 | 4% | 0.043 | 38% | 0.382 | C | S | . | . | trans | -75.5 | 132.7 | 179.8 | 72.2 | 52.1 | 0 | 0 | 0 | 112.3 | Y183 S184 L187 G188 Q189 A193 D194 | Y183-N191 PolarHBondContact O-ND2 3.09Å; S184-N191 WeakPolarHBondContact CA-ND2 3.29Å; S184-N191 PolarHBondContact N-ND2 2.98Å; L187-N191 HydrophobicContact CB-CB 3.88Å; G188-N191 PolarHBondContact O-ND2 3.02Å; G188-N191 VanDerWaalsContact O-ND2 3.1Å; Q189-N191 VanDerWaalsContact C-N 3.27Å; Q189-N191 PolarHBondContact O-N 3.33Å; N191-A193 PolarHBondContact O-N 3.47Å; N191-A193 VanDerWaalsContact O-N 3.11Å; N191-A193 PolarHBondContact OD1-N 2.95Å; N191-D194 PolarHBondContact O-N 3.05Å; N191-D194 PolarHBondContact OD1-N 3.14Å; N191-D194 VanDerWaalsContact OD1-N 3.12Å | ||
| 192 | A | 64.7 | Low | 68.1 | Low | 19 Ų | 19 | 74.9 Ų | 74.9 | 16% | 0.157 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 0.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R31 S35 D194 | R31-A192 PolarHBondContact NE-O 3.38Å; R31-A192 PolarHBondContact NH2-O 3.03Å; S35-A192 VanDerWaalsContact CB-CB 3.48Å; S35-A192 WeakPolarHBondContact OG-CB 3.46Å; A192-D194 VanDerWaalsContact C-N 3.3Å |
| 193 | A | 57.8 | Low | 66.3 | Low | 11 Ų | 11 | 78.2 Ų | 78.2 | 9% | 0.091 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -22 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y183 N191 Q195 | Y183-A193 HydrophobicContact CD2-CB 4.06Å; Y183-A193 HydrophobicContact CG-CB 4.34Å; N191-A193 PolarHBondContact O-N 3.47Å; N191-A193 VanDerWaalsContact O-N 3.11Å; N191-A193 PolarHBondContact OD1-N 2.95Å; A193-Q195 PolarHBondContact O-N 3.45Å |
| 194 | D | 65.4 | Low | 64.6 | Low | 37 Ų | 37 | 81.4 Ų | 81.4 | 20% | 0.198 | 42% | 0.422 | C | S | . | . | trans | -77.6 | 114.8 | -177.9 | -170.1 | 33.9 | 0 | 0 | 0 | 113.3 | R180 N191 A192 S196 R197 | R180-D194 IonicContact CZ-OD1 3.74Å; R180-D194 IonicContact NE-OD1 2.79Å; R180-D194 IonicContact NH1-OD1 3.35Å; R180-D194 PolarHBondContact NH1-OD1 2.99Å; N191-D194 PolarHBondContact O-N 3.05Å; N191-D194 PolarHBondContact OD1-N 3.14Å; N191-D194 VanDerWaalsContact OD1-N 3.12Å; A192-D194 VanDerWaalsContact C-N 3.3Å; D194-S196 PolarHBondContact OD1-N 3.23Å; D194-S196 PolarHBondContact OD1-OG 3.32Å; D194-S196 WeakPolarHBondContact OD2-CB 3.48Å; D194-S196 PolarHBondContact OD2-OG 3.47Å; D194-R197 PolarHBondContact OD2-N 2.94Å | ||
| 195 | Q | 62.1 | Low | 63 | Low | 34 Ų | 34 | 80.5 Ų | 80.5 | 16% | 0.159 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -78.1 | -21.1 | 177.9 | -64.7 | 165.5 | 18.9 | 0 | 0 | 112.9 | M121 V176 A193 R197 M198 M199 | M121-Q195 HydrophobicContact CE-CG 4.1Å; V176-Q195 VanDerWaalsContact CG1-NE2 3.3Å; A193-Q195 PolarHBondContact O-N 3.45Å; Q195-R197 VanDerWaalsContact C-N 3.29Å; Q195-R197 PolarHBondContact O-N 3.27Å; Q195-M198 WeakPolarHBondContact O-CB 3.43Å; Q195-M198 PolarHBondContact O-N 2.85Å; Q195-M198 VanDerWaalsContact O-N 3.16Å; Q195-M199 PolarHBondContact O-N 2.94Å; Q195-M199 VanDerWaalsContact O-N 3.13Å |
| 196 | S | 59.7 | Low | 61.1 | Low | 55 Ų | 55 | 76.5 Ų | 76.5 | 39% | 0.385 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 176.1 | 5.5 | 0 | 0 | 0 | 0 | 110.8 | R180 D194 M198 M199 Q200 | R180-S196 PolarHBondContact NH1-OG 3.35Å; D194-S196 PolarHBondContact OD1-N 3.23Å; D194-S196 PolarHBondContact OD1-OG 3.32Å; D194-S196 WeakPolarHBondContact OD2-CB 3.48Å; D194-S196 PolarHBondContact OD2-OG 3.47Å; S196-M198 VanDerWaalsContact C-N 3.29Å; S196-M198 PolarHBondContact O-N 3.31Å; S196-M199 PolarHBondContact O-N 2.71Å; S196-M199 VanDerWaalsContact O-N 3.1Å; S196-Q200 PolarHBondContact O-N 3.35Å |
| 197 | R | 58.8 | Low | 59.1 | Low | 107 Ų | 107 | 75 Ų | 75 | 40% | 0.404 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.2 | -40.9 | 172.8 | -102.1 | -171.3 | 165.3 | -177.1 | 2.9 | 112.3 | D190 D194 Q195 M199 Q200 E201 | D190-R197 IonicContact OD1-CZ 2.7Å; D190-R197 IonicContact OD1-NH1 2.81Å; D190-R197 PolarHBondContact OD1-NH1 3.41Å; D190-R197 IonicContact OD1-NH2 3.67Å; D190-R197 PolarHBondContact OD1-NH2 3.18Å; D194-R197 PolarHBondContact OD2-N 2.94Å; Q195-R197 VanDerWaalsContact C-N 3.29Å; Q195-R197 PolarHBondContact O-N 3.27Å; R197-M199 VanDerWaalsContact C-N 3.32Å; R197-M199 PolarHBondContact O-N 3.29Å; R197-Q200 CarbonylContact O-C 3.19Å; R197-Q200 PolarHBondContact O-N 2.87Å; R197-E201 VanDerWaalsContact O-CB 3.27Å; R197-E201 WeakPolarHBondContact O-CB 3.46Å; R197-E201 WeakPolarHBondContact O-CG 3.28Å; R197-E201 PolarHBondContact O-N 2.7Å |
| 198 | M | 58.4 | Low | 57.4 | Low | 44 Ų | 44 | 78.5 Ų | 78.5 | 22% | 0.217 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 174.3 | -65 | 178.3 | 61.6 | 0 | 0 | 112.8 | N117 Q195 S196 Q200 E201 Q202 | N117-M198 HydrophobicContact CB-CE 3.41Å; N117-M198 VanDerWaalsContact CB-CE 3.41Å; N117-M198 HydrophobicContact CB-SD 3.48Å; N117-M198 WeakPolarHBondContact CB-SD 3.46Å; N117-M198 WeakPolarHBondContact ND2-CE 3.42Å; N117-M198 PolarHBondContact ND2-SD 2.8Å; Q195-M198 WeakPolarHBondContact O-CB 3.43Å; Q195-M198 PolarHBondContact O-N 2.85Å; Q195-M198 VanDerWaalsContact O-N 3.16Å; S196-M198 VanDerWaalsContact C-N 3.29Å; S196-M198 PolarHBondContact O-N 3.31Å; M198-Q200 VanDerWaalsContact C-N 3.33Å; M198-E201 CarbonylContact O-C 3.56Å; M198-E201 PolarHBondContact O-N 2.99Å; M198-Q202 WeakPolarHBondContact O-CB 2.98Å; M198-Q202 PolarHBondContact O-N 3.44Å |
| 199 | M | 58 | Low | 56 | Low | 132 Ų | 132 | 80.2 Ų | 80.2 | 65% | 0.65 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -67.7 | -38.6 | 177.6 | -171.1 | 171.9 | -176.3 | 0 | 0 | 111 | Q195 S196 R197 Q202 M203 | Q195-M199 PolarHBondContact O-N 2.94Å; Q195-M199 VanDerWaalsContact O-N 3.13Å; S196-M199 PolarHBondContact O-N 2.71Å; S196-M199 VanDerWaalsContact O-N 3.1Å; R197-M199 VanDerWaalsContact C-N 3.32Å; R197-M199 PolarHBondContact O-N 3.29Å; M199-Q202 PolarHBondContact O-N 3.44Å; M199-M203 WeakPolarHBondContact O-CG 3.31Å; M199-M203 PolarHBondContact O-N 3.18Å |
| 200 | Q | 57 | Low | 55.1 | Low | 130 Ų | 130 | 74.1 Ų | 74.1 | 61% | 0.607 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -68.3 | -38.9 | 174.5 | -169.3 | 159.7 | -7.9 | 0 | 0 | 111.8 | S196 R197 M198 Q202 M203 T204 | S196-Q200 PolarHBondContact O-N 3.35Å; R197-Q200 CarbonylContact O-C 3.19Å; R197-Q200 PolarHBondContact O-N 2.87Å; M198-Q200 VanDerWaalsContact C-N 3.33Å; Q200-Q202 VanDerWaalsContact C-N 3.34Å; Q200-M203 PolarHBondContact O-N 3.43Å; Q200-T204 HydrophobicContact CG-CG2 4.36Å; Q200-T204 VanDerWaalsContact O-CB 3.25Å; Q200-T204 WeakPolarHBondContact O-CB 3.47Å; Q200-T204 VanDerWaalsContact O-CG2 3.23Å; Q200-T204 WeakPolarHBondContact O-CG2 3.42Å; Q200-T204 PolarHBondContact O-N 3.14Å; Q200-T204 PolarHBondContact O-OG1 2.79Å |
| 201 | E | 57.8 | Low | 54.4 | Low | 119 Ų | 119 | 71.5 Ų | 71.5 | 56% | 0.556 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -70.5 | -27.6 | 171.9 | -77.5 | 178.4 | -175.3 | 0 | 0 | 111.9 | R197 M198 T204 G205 | R197-E201 VanDerWaalsContact O-CB 3.27Å; R197-E201 WeakPolarHBondContact O-CB 3.46Å; R197-E201 WeakPolarHBondContact O-CG 3.28Å; R197-E201 PolarHBondContact O-N 2.7Å; M198-E201 CarbonylContact O-C 3.56Å; M198-E201 PolarHBondContact O-N 2.99Å; E201-T204 WeakPolarHBondContact CA-OG1 3.45Å; E201-G205 WeakPolarHBondContact O-CA 3.47Å; E201-G205 PolarHBondContact O-N 3.48Å |
| 202 | Q | 51.4 | Low | 54 | Low | 143 Ų | 143 | 74 Ų | 74 | 67% | 0.668 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -77.1 | -38.1 | 174.1 | -170.2 | 175.1 | -35.9 | 0 | 0 | 110.1 | M198 M199 Q200 A206 | M198-Q202 WeakPolarHBondContact O-CB 2.98Å; M198-Q202 PolarHBondContact O-N 3.44Å; M199-Q202 PolarHBondContact O-N 3.44Å; Q200-Q202 VanDerWaalsContact C-N 3.34Å; Q202-A206 WeakPolarHBondContact O-CB 3.44Å; Q202-A206 PolarHBondContact O-N 2.95Å |
| 203 | M | 48.1 | Very low | 54.3 | Low | 143 Ų | 143 | 75.5 Ų | 75.5 | 70% | 0.704 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -71.4 | -43.6 | 173.9 | -74.5 | -173.6 | 78.4 | 0 | 0 | 112.4 | M199 Q200 | M199-M203 WeakPolarHBondContact O-CG 3.31Å; M199-M203 PolarHBondContact O-N 3.18Å; Q200-M203 PolarHBondContact O-N 3.43Å |
| 204 | T | 49.7 | Very low | 55.4 | Low | 79 Ų | 79 | 76.1 Ų | 76.1 | 49% | 0.485 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -80 | -35.3 | 178.5 | 58.6 | 0 | 0 | 0 | 0 | 112 | Q200 E201 A207 M208 | Q200-T204 HydrophobicContact CG-CG2 4.36Å; Q200-T204 VanDerWaalsContact O-CB 3.25Å; Q200-T204 WeakPolarHBondContact O-CB 3.47Å; Q200-T204 VanDerWaalsContact O-CG2 3.23Å; Q200-T204 WeakPolarHBondContact O-CG2 3.42Å; Q200-T204 PolarHBondContact O-N 3.14Å; Q200-T204 PolarHBondContact O-OG1 2.79Å; E201-T204 WeakPolarHBondContact CA-OG1 3.45Å; T204-A207 CarbonylContact O-C 3.43Å; T204-A207 WeakPolarHBondContact O-CA 3.28Å; T204-A207 WeakPolarHBondContact O-CB 3.48Å; T204-A207 PolarHBondContact O-N 3.42Å; T204-A207 VanDerWaalsContact O-N 3.16Å; T204-M208 PolarHBondContact O-N 3.49Å |
| 205 | G | 47 | Very low | 56.5 | Low | 31 Ų | 31 | 75.4 Ų | 75.4 | 32% | 0.32 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -75.6 | -28.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E201 A207 M208 A209 | E201-G205 WeakPolarHBondContact O-CA 3.47Å; E201-G205 PolarHBondContact O-N 3.48Å; G205-A207 PolarHBondContact O-N 3.31Å; G205-M208 CarbonylContact O-C 3.52Å; G205-M208 WeakPolarHBondContact O-CA 3.11Å; G205-M208 PolarHBondContact O-N 3.36Å; G205-M208 VanDerWaalsContact O-N 3.09Å; G205-A209 PolarHBondContact O-N 3.35Å |
| 206 | A | 44.7 | Very low | 57.6 | Low | 67 Ų | 67 | 80.6 Ų | 80.6 | 55% | 0.554 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.7 | -25.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q202 | Q202-A206 WeakPolarHBondContact O-CB 3.44Å; Q202-A206 PolarHBondContact O-N 2.95Å |
| 207 | A | 42.2 | Very low | 58.9 | Low | 64 Ų | 64 | 78.5 Ų | 78.5 | 53% | 0.529 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -79.2 | -23.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T204 G205 | T204-A207 CarbonylContact O-C 3.43Å; T204-A207 WeakPolarHBondContact O-CA 3.28Å; T204-A207 WeakPolarHBondContact O-CB 3.48Å; T204-A207 PolarHBondContact O-N 3.42Å; T204-A207 VanDerWaalsContact O-N 3.16Å; G205-A207 PolarHBondContact O-N 3.31Å |
| 208 | M | 45.9 | Very low | 60.4 | Low | 104 Ų | 104 | 73.4 Ų | 73.4 | 51% | 0.512 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -88.6 | -15.3 | 171.1 | -74.6 | -107.4 | -86.1 | 0 | 0 | 113.9 | T204 G205 M210 | T204-M208 PolarHBondContact O-N 3.49Å; G205-M208 CarbonylContact O-C 3.52Å; G205-M208 WeakPolarHBondContact O-CA 3.11Å; G205-M208 PolarHBondContact O-N 3.36Å; G205-M208 VanDerWaalsContact O-N 3.09Å; M208-M210 PolarHBondContact O-N 2.78Å |
| 209 | A | 48.2 | Very low | 61.9 | Low | 68 Ų | 68 | 77.4 Ų | 77.4 | 56% | 0.562 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -65.8 | 85.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 105.6 | G205 | G205-A209 PolarHBondContact O-N 3.35Š|
| 210 | M | 48.9 | Very low | 63.4 | Low | 43 Ų | 43 | 74.7 Ų | 74.7 | 21% | 0.212 | 42% | 0.423 | C | S | . | . | trans | -41.8 | 134 | 177.4 | -69.4 | -66.4 | -70.8 | 0 | 0 | 107.6 | D51 L55 M208 A212 T214 | D51-M210 HydrophobicContact CB-CE 3.53Å; L55-M210 HydrophobicContact CD1-CE 4.09Å; L55-M210 HydrophobicContact CD1-SD 4.43Å; M208-M210 PolarHBondContact O-N 2.78Å; M210-A212 PolarHBondContact O-N 3.13Å; M210-A212 VanDerWaalsContact O-N 3.13Å; M210-T214 HydrophobicContact CB-CG2 4.43Å; M210-T214 HydrophobicContact CE-CG2 3.49Å; M210-T214 VanDerWaalsContact CE-CG2 3.49Å | ||
| 211 | P | 49.7 | Very low | 65 | Low | 64 Ų | 64 | 69.4 Ų | 69.4 | 42% | 0.416 | 40% | 0.398 | S | S | . | . | trans | -49 | 131.2 | 169.3 | -26 | 36.1 | 0 | 0 | 0 | 107.1 | D213 T214 A217 | P211-D213 CarbonylContact O-C 3.52Å; P211-D213 WeakPolarHBondContact O-CA 3.38Å; P211-D213 PolarHBondContact O-N 2.81Å; P211-T214 PolarHBondContact O-N 2.87Å; P211-A217 HydrophobicContact CB-CB 3.97Å; P211-A217 HydrophobicContact CG-CB 3.63Å | ||
| 212 | A | 58.7 | Low | 66.6 | Low | 61 Ų | 61 | 67.8 Ų | 67.8 | 50% | 0.504 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -55.4 | -14.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P98 M210 | P98-A212 HydrophobicContact CB-CB 3.58Å; M210-A212 PolarHBondContact O-N 3.13Å; M210-A212 VanDerWaalsContact O-N 3.13Å |
| 213 | D | 71.4 | Confident | 68.5 | Low | 50 Ų | 50 | 64.9 Ų | 64.9 | 27% | 0.267 | 37% | 0.374 | S | S | . | . | trans | -119 | 105.5 | 160.9 | -174.7 | -5.9 | 0 | 0 | 0 | 110.7 | P211 N215 K216 A217 | P211-D213 CarbonylContact O-C 3.52Å; P211-D213 WeakPolarHBondContact O-CA 3.38Å; P211-D213 PolarHBondContact O-N 2.81Å; D213-N215 PolarHBondContact O-N 3.2Å; D213-N215 WeakPolarHBondContact OD1-CA 3.5Å; D213-N215 VanDerWaalsContact OD1-CB 3.29Å; D213-N215 WeakPolarHBondContact OD1-CB 3.36Å; D213-N215 PolarHBondContact OD1-N 3.2Å; D213-N215 PolarHBondContact OD1-ND2 2.65Å; D213-K216 HydrophobicContact CB-CB 3.81Å; D213-K216 WeakPolarHBondContact O-CB 3.36Å; D213-K216 PolarHBondContact O-N 2.91Å; D213-K216 PolarHBondContact OD1-N 2.83Å; D213-A217 PolarHBondContact O-N 3.23Å; D213-A217 VanDerWaalsContact O-N 3.08Å | ||
| 214 | T | 81.3 | Confident | 70.6 | Confident | 24 Ų | 24 | 59.2 Ų | 59.2 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.1 | -30.5 | 176 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | R93 M210 P211 A217 F218 | R93-T214 WeakPolarHBondContact CB-OG1 3.39Å; M210-T214 HydrophobicContact CB-CG2 4.43Å; M210-T214 HydrophobicContact CE-CG2 3.49Å; M210-T214 VanDerWaalsContact CE-CG2 3.49Å; P211-T214 PolarHBondContact O-N 2.87Å; T214-A217 WeakPolarHBondContact O-CB 3.28Å; T214-A217 PolarHBondContact O-N 3.19Å; T214-F218 WeakPolarHBondContact O-CD1 3.42Å; T214-F218 VanDerWaalsContact O-CG 3.23Å; T214-F218 WeakPolarHBondContact O-CG 3.34Å; T214-F218 PolarHBondContact O-N 3.25Å |
| 215 | N | 86.5 | Confident | 72.6 | Confident | 22 Ų | 22 | 55.5 Ų | 55.5 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71.2 | -36.2 | 176.3 | -57.7 | -76.4 | 0 | 0 | 0 | 111.6 | K92 R93 V95 D213 A217 F218 K219 | K92-N215 WeakPolarHBondContact CA-OD1 3.46Å; R93-N215 PolarHBondContact N-OD1 3.28Å; R93-N215 PolarHBondContact O-ND2 2.81Å; V95-N215 WeakPolarHBondContact CG2-ND2 3.29Å; D213-N215 PolarHBondContact O-N 3.2Å; D213-N215 WeakPolarHBondContact OD1-CA 3.5Å; D213-N215 VanDerWaalsContact OD1-CB 3.29Å; D213-N215 WeakPolarHBondContact OD1-CB 3.36Å; D213-N215 PolarHBondContact OD1-N 3.2Å; D213-N215 PolarHBondContact OD1-ND2 2.65Å; N215-A217 VanDerWaalsContact C-N 3.33Å; N215-F218 PolarHBondContact O-N 2.9Å; N215-K219 WeakPolarHBondContact O-CB 3.43Å; N215-K219 PolarHBondContact O-N 3.1Å |
| 216 | K | 86.5 | Confident | 74.7 | Confident | 143 Ų | 143 | 58.2 Ų | 58.2 | 62% | 0.622 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.6 | -42.9 | 172.5 | -172.5 | 179.3 | 179.2 | -178.4 | 0 | 110.5 | D213 F218 K219 T220 | D213-K216 HydrophobicContact CB-CB 3.81Å; D213-K216 WeakPolarHBondContact O-CB 3.36Å; D213-K216 PolarHBondContact O-N 2.91Å; D213-K216 PolarHBondContact OD1-N 2.83Å; K216-F218 VanDerWaalsContact C-N 3.34Å; K216-F218 PolarHBondContact O-N 3.35Å; K216-K219 PolarHBondContact O-N 3.16Å; K216-T220 PolarHBondContact O-N 3.39Å; K216-T220 PolarHBondContact O-OG1 3.46Å |
| 217 | A | 86.1 | Confident | 76.9 | Confident | 10 Ų | 10 | 62 Ų | 62 | 8% | 0.083 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.5 | -47.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L55 P211 D213 T214 N215 K219 T220 E221 | L55-A217 HydrophobicContact CD1-CB 4.04Å; P211-A217 HydrophobicContact CB-CB 3.97Å; P211-A217 HydrophobicContact CG-CB 3.63Å; D213-A217 PolarHBondContact O-N 3.23Å; D213-A217 VanDerWaalsContact O-N 3.08Å; T214-A217 WeakPolarHBondContact O-CB 3.28Å; T214-A217 PolarHBondContact O-N 3.19Å; N215-A217 VanDerWaalsContact C-N 3.33Å; A217-K219 VanDerWaalsContact C-N 3.33Å; A217-K219 PolarHBondContact O-N 3.07Å; A217-T220 PolarHBondContact O-N 2.87Å; A217-E221 WeakPolarHBondContact O-CB 3.21Å; A217-E221 WeakPolarHBondContact O-CG 3.44Å; A217-E221 PolarHBondContact O-N 2.93Å |
| 218 | F | 90.5 | Very high | 79.1 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 177.2 | -67.8 | -8.4 | 0 | 0 | 0 | 112.4 | D51 L55 F87 F88 T91 R93 T214 N215 K216 E221 W222 | D51-F218 HydrophobicContact CB-CE1 4.36Å; D51-F218 HydrophobicContact CB-CZ 4.03Å; L55-F218 HydrophobicContact CD1-CE1 4.38Å; L55-F218 HydrophobicContact CD2-CD1 3.55Å; L55-F218 HydrophobicContact CD2-CE1 3.79Å; L55-F218 HydrophobicContact CG-CD1 4.29Å; L55-F218 HydrophobicContact CG-CE1 4.04Å; F87-F218 HydrophobicContact CE1-CE2 4.38Å; F87-F218 HydrophobicContact CE1-CZ 4.14Å; F88-F218 HydrophobicContact CB-CB 4.16Å; F88-F218 HydrophobicContact CD1-CB 3.83Å; F88-F218 AromaticContact CD1-CD1 3.81Å; F88-F218 HydrophobicContact CD1-CD1 3.81Å; F88-F218 HydrophobicContact CD1-CE1 4.5Å; F88-F218 AromaticContact CD1-CG 3.83Å; F88-F218 HydrophobicContact CD1-CG 3.83Å; F88-F218 AromaticContact CE1-CD1 4Å; F88-F218 HydrophobicContact CE1-CD1 4Å; F88-F218 HydrophobicContact CE1-CE1 4.47Å; F88-F218 HydrophobicContact CE1-CG 4.47Å; F88-F218 HydrophobicContact CG-CB 4.34Å; T91-F218 HydrophobicContact CG2-CE2 3.87Å; T91-F218 WeakPolarHBondContact O-CD2 3.11Å; R93-F218 HydrophobicContact CG-CE2 3.96Å; R93-F218 HydrophobicContact CG-CZ 4.44Å; T214-F218 WeakPolarHBondContact O-CD1 3.42Å; T214-F218 VanDerWaalsContact O-CG 3.23Å; T214-F218 WeakPolarHBondContact O-CG 3.34Å; T214-F218 PolarHBondContact O-N 3.25Å; N215-F218 PolarHBondContact O-N 2.9Å; K216-F218 VanDerWaalsContact C-N 3.34Å; K216-F218 PolarHBondContact O-N 3.35Å; F218-E221 PolarHBondContact O-N 3.42Å; F218-W222 VanDerWaalsContact O-CB 3.26Å; F218-W222 WeakPolarHBondContact O-CB 3.48Å; F218-W222 PolarHBondContact O-N 2.95Å |
| 219 | K | 90.1 | Very high | 81.2 | Confident | 128 Ų | 128 | 61.6 Ų | 61.6 | 56% | 0.557 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64 | -47.1 | 176.3 | -175.4 | 178.2 | 172.9 | -177.4 | 0 | 111.7 | N215 K216 A217 E221 W222 E223 | N215-K219 WeakPolarHBondContact O-CB 3.43Å; N215-K219 PolarHBondContact O-N 3.1Å; K216-K219 PolarHBondContact O-N 3.16Å; A217-K219 VanDerWaalsContact C-N 3.33Å; A217-K219 PolarHBondContact O-N 3.07Å; K219-E221 VanDerWaalsContact C-N 3.33Å; K219-E221 PolarHBondContact O-N 2.84Å; K219-W222 WeakPolarHBondContact O-CB 3.26Å; K219-W222 PolarHBondContact O-N 3.3Å; K219-E223 WeakPolarHBondContact CE-OE1 3.09Å; K219-E223 IonicContact NZ-OE1 3.9Å; K219-E223 WeakPolarHBondContact O-CG 3.3Å; K219-E223 PolarHBondContact O-N 3.48Å |
| 220 | T | 90.1 | Very high | 83.3 | Confident | 74 Ų | 74 | 60 Ų | 60 | 45% | 0.454 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 178.3 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | K216 A217 E223 A224 | K216-T220 PolarHBondContact O-N 3.39Å; K216-T220 PolarHBondContact O-OG1 3.46Å; A217-T220 PolarHBondContact O-N 2.87Å; T220-E223 PolarHBondContact O-N 2.94Å; T220-A224 VanDerWaalsContact O-CB 3.28Å; T220-A224 WeakPolarHBondContact O-CB 3.41Å; T220-A224 PolarHBondContact O-N 3.18Å |
| 221 | E | 90.2 | Very high | 85.2 | Confident | 20 Ų | 20 | 65.4 Ų | 65.4 | 9% | 0.093 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.7 | -36.3 | 177.2 | -74.4 | -78.5 | 159 | 0 | 0 | 112.2 | L55 S58 R62 F88 A217 F218 K219 A224 L225 | L55-E221 HydrophobicContact CD2-CB 4.23Å; L55-E221 HydrophobicContact CD2-CG 3.78Å; S58-E221 PolarHBondContact OG-OE2 3.41Å; R62-E221 IonicContact CZ-OE1 2.78Å; R62-E221 IonicContact CZ-OE2 3.83Å; R62-E221 VanDerWaalsContact CZ-OE2 3.27Å; R62-E221 IonicContact NE-OE2 3.18Å; R62-E221 PolarHBondContact NE-OE2 3.23Å; R62-E221 IonicContact NH2-OE1 2.87Å; R62-E221 PolarHBondContact NH2-OE1 2.83Å; R62-E221 IonicContact NH2-OE2 3.85Å; R62-E221 PolarHBondContact NH2-OE2 3.49Å; F88-E221 HydrophobicContact CE1-CB 4.45Å; F88-E221 HydrophobicContact CE2-CB 4.05Å; F88-E221 HydrophobicContact CZ-CB 3.97Å; A217-E221 WeakPolarHBondContact O-CB 3.21Å; A217-E221 WeakPolarHBondContact O-CG 3.44Å; A217-E221 PolarHBondContact O-N 2.93Å; F218-E221 PolarHBondContact O-N 3.42Å; K219-E221 VanDerWaalsContact C-N 3.33Å; K219-E221 PolarHBondContact O-N 2.84Å; E221-A224 PolarHBondContact O-N 3.33Å; E221-L225 WeakPolarHBondContact O-CB 3.38Å; E221-L225 PolarHBondContact O-N 3.44Å |
| 222 | W | 91.6 | Very high | 87.1 | Confident | 84 Ų | 84 | 65.6 Ų | 65.6 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.4 | -51.6 | 171.3 | -176.5 | 88.7 | 0 | 0 | 0 | 111 | N81 F88 F218 K219 A224 L225 E226 | N81-W222 VanDerWaalsContact CG-CD1 3.47Å; N81-W222 PolarHBondContact ND2-O 2.86Å; N81-W222 PolarHBondContact O-NE1 3.45Å; N81-W222 VanDerWaalsContact O-NE1 3.15Å; N81-W222 VanDerWaalsContact OD1-CD1 3.29Å; F88-W222 HydrophobicContact CB-CB 4Å; F88-W222 HydrophobicContact CB-CG 4.47Å; F88-W222 HydrophobicContact CD2-CB 4.1Å; F88-W222 HydrophobicContact CG-CB 4.4Å; F218-W222 VanDerWaalsContact O-CB 3.26Å; F218-W222 WeakPolarHBondContact O-CB 3.48Å; F218-W222 PolarHBondContact O-N 2.95Å; K219-W222 WeakPolarHBondContact O-CB 3.26Å; K219-W222 PolarHBondContact O-N 3.3Å; W222-A224 PolarHBondContact O-N 2.94Å; W222-L225 PolarHBondContact O-N 3.24Å; W222-E226 WeakPolarHBondContact O-CB 3.29Å; W222-E226 PolarHBondContact O-N 2.82Å |
| 223 | E | 91.8 | Very high | 88.4 | Confident | 83 Ų | 83 | 65.3 Ų | 65.3 | 39% | 0.388 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 178.4 | -71.2 | 170.6 | 177.7 | 0 | 0 | 111.5 | K219 T220 E226 L227 | K219-E223 WeakPolarHBondContact CE-OE1 3.09Å; K219-E223 IonicContact NZ-OE1 3.9Å; K219-E223 WeakPolarHBondContact O-CG 3.3Å; K219-E223 PolarHBondContact O-N 3.48Å; T220-E223 PolarHBondContact O-N 2.94Å; E223-E226 WeakPolarHBondContact O-CB 3.46Å; E223-E226 PolarHBondContact O-N 3.27Å; E223-L227 WeakPolarHBondContact O-CG 3.18Å; E223-L227 PolarHBondContact O-N 2.99Å |
| 224 | A | 92.5 | Very high | 89.1 | Confident | 24 Ų | 24 | 67.3 Ų | 67.3 | 20% | 0.198 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.5 | -36.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T220 E221 W222 E226 T228 | T220-A224 VanDerWaalsContact O-CB 3.28Å; T220-A224 WeakPolarHBondContact O-CB 3.41Å; T220-A224 PolarHBondContact O-N 3.18Å; E221-A224 PolarHBondContact O-N 3.33Å; W222-A224 PolarHBondContact O-N 2.94Å; A224-E226 VanDerWaalsContact C-N 3.3Å; A224-T228 PolarHBondContact O-N 2.83Å; A224-T228 PolarHBondContact O-OG1 2.92Å |
| 225 | L | 91.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.1 | -29.5 | 174 | -174.5 | 62.7 | 0 | 0 | 0 | 111.3 | L61 R62 K77 F80 E221 W222 T228 | L61-L225 HydrophobicContact CD2-CD1 3.95Å; L61-L225 HydrophobicContact CD2-CD2 4.31Å; L61-L225 HydrophobicContact CG-CD1 4.29Å; R62-L225 HydrophobicContact CG-CB 4.42Å; R62-L225 HydrophobicContact CG-CD1 3.56Å; K77-L225 WeakPolarHBondContact CE-O 3.23Å; K77-L225 HydrophobicContact CG-CG 4.21Å; K77-L225 PolarHBondContact NZ-O 3.26Å; K77-L225 VanDerWaalsContact NZ-O 3.16Å; F80-L225 HydrophobicContact CB-CD2 3.54Å; F80-L225 HydrophobicContact CD2-CD2 3.83Å; F80-L225 HydrophobicContact CG-CD2 4.01Å; E221-L225 WeakPolarHBondContact O-CB 3.38Å; E221-L225 PolarHBondContact O-N 3.44Å; W222-L225 PolarHBondContact O-N 3.24Å; L225-T228 PolarHBondContact O-N 3.29Å |
| 226 | E | 90.6 | Very high | 89.1 | Confident | 89 Ų | 89 | 75.7 Ų | 75.7 | 42% | 0.416 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 175.3 | -163.5 | 58.8 | -156.6 | 0 | 0 | 110.9 | K77 N81 W222 E223 A224 T228 | K77-E226 PolarHBondContact NZ-O 3.18Å; N81-E226 WeakPolarHBondContact ND2-CA 3.47Å; N81-E226 PolarHBondContact ND2-N 3.46Å; N81-E226 PolarHBondContact ND2-OE2 2.8Å; W222-E226 WeakPolarHBondContact O-CB 3.29Å; W222-E226 PolarHBondContact O-N 2.82Å; E223-E226 WeakPolarHBondContact O-CB 3.46Å; E223-E226 PolarHBondContact O-N 3.27Å; A224-E226 VanDerWaalsContact C-N 3.3Å; E226-T228 PolarHBondContact O-N 3.41Å |
| 227 | L | 90.9 | Very high | 89 | Confident | 146 Ų | 146 | 71.8 Ų | 71.8 | 76% | 0.764 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -72.3 | -11.7 | 175.4 | -65.9 | 171.8 | 0 | 0 | 0 | 114.1 | E223 | E223-L227 WeakPolarHBondContact O-CG 3.18Å; E223-L227 PolarHBondContact O-N 2.99Å |
| 228 | T | 89.1 | Confident | 88.9 | Confident | 32 Ų | 32 | 78.8 Ų | 78.8 | 20% | 0.196 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -86.5 | 118.2 | -179.9 | -54.9 | 0 | 0 | 0 | 0 | 110.3 | R62 F73 K77 A224 L225 E226 | R62-T228 HydrophobicContact CB-CG2 4.26Å; R62-T228 WeakPolarHBondContact CD-OG1 3.13Å; R62-T228 HydrophobicContact CG-CG2 4.22Å; R62-T228 WeakPolarHBondContact CG-OG1 3.44Å; F73-T228 HydrophobicContact CE2-CG2 4.5Å; F73-T228 HydrophobicContact CZ-CG2 4.05Å; K77-T228 PolarHBondContact NZ-O 3.41Å; A224-T228 PolarHBondContact O-N 2.83Å; A224-T228 PolarHBondContact O-OG1 2.92Å; L225-T228 PolarHBondContact O-N 3.29Å; E226-T228 PolarHBondContact O-N 3.41Å |
| 229 | D | 89.4 | Confident | 88.6 | Confident | 127 Ų | 127 | 85.5 Ų | 85.5 | 68% | 0.679 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -96.3 | 152 | 171.4 | -72.4 | -41.4 | 0 | 0 | 0 | 111.9 | ||
| 230 | H | 92.3 | Very high | 88.4 | Confident | 34 Ų | 34 | 84.6 Ų | 84.6 | 16% | 0.157 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 121.5 | 179 | -177.3 | 64.7 | 0 | 0 | 0 | 111 | G65 I68 K70 F73 W232 | G65-H230 PolarHBondContact O-CE1 3.38Å; G65-H230 PolarHBondContact O-ND1 3.39Å; G65-H230 VanDerWaalsContact O-ND1 3.11Å; I68-H230 PolarHBondContact O-CE1 2.95Å; I68-H230 PolarHBondContact O-NE2 3.33Å; K70-H230 VanDerWaalsContact CA-CD2 3.42Å; K70-H230 WeakPolarHBondContact CA-CD2 3.21Å; K70-H230 VanDerWaalsContact CB-CD2 3.46Å; K70-H230 WeakPolarHBondContact CB-CD2 3.23Å; K70-H230 HydrophobicContact CG-CB 4.48Å; K70-H230 PolarHBondContact N-NE2 3.08Å; F73-H230 HydrophobicContact CB-CB 4.37Å; F73-H230 HydrophobicContact CD1-CB 3.6Å; F73-H230 HydrophobicContact CE1-CB 3.97Å; F73-H230 HydrophobicContact CG-CB 3.97Å; F73-H230 AromaticContact CG-ND1 3.69Å; H230-W232 AromaticContact CE1-CE3 3.99Å; H230-W232 AromaticContact NE2-CE3 3.85Å |
| 231 | Q | 87.9 | Confident | 88 | Confident | 157 Ų | 157 | 85.7 Ų | 85.7 | 73% | 0.734 | 43% | 0.434 | S | S | * | . | trans | -113.8 | 111.9 | 170.3 | -65.2 | 178.4 | -9.7 | 0 | 0 | 108.2 | K66 A233 | K66-Q231 WeakPolarHBondContact CA-O 3.33Å; K66-Q231 WeakPolarHBondContact CB-O 3Å; Q231-A233 PolarHBondContact O-N 3.18Å | ||
| 232 | W | 89.7 | Confident | 87.6 | Confident | 69 Ų | 69 | 92.3 Ų | 92.3 | 26% | 0.261 | 47% | 0.467 | S | S | . | . | trans | -79 | 119.8 | -178.2 | -177 | -125.7 | 0 | 0 | 0 | 109.7 | K66 Y67 I68 P69 H230 L234 D235 | K66-W232 WeakPolarHBondContact O-CZ3 3.22Å; Y67-W232 VanDerWaalsContact C-CZ3 3.43Å; I68-W232 WeakPolarHBondContact O-CZ3 3.34Å; P69-W232 HydrophobicContact CG-CH2 4.24Å; H230-W232 AromaticContact CE1-CE3 3.99Å; H230-W232 AromaticContact NE2-CE3 3.85Å; W232-L234 VanDerWaalsContact CD1-C 3.47Å; W232-L234 HydrophobicContact CH2-CD1 4.17Å; W232-L234 HydrophobicContact CZ2-CB 4.07Å; W232-L234 HydrophobicContact CZ2-CD1 3.71Å; W232-L234 HydrophobicContact CZ2-CG 4.17Å; W232-L234 PolarHBondContact O-N 2.91Å; W232-D235 HydrophobicContact CB-CB 4.49Å; W232-D235 WeakPolarHBondContact CB-OD2 3.02Å; W232-D235 PolarHBondContact O-N 3.37Å | ||
| 233 | A | 87.1 | Confident | 87 | Confident | 54 Ų | 54 | 92.4 Ų | 92.4 | 45% | 0.446 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -16.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K66 Y67 Q231 | K66-A233 HydrophobicContact CB-CB 4.14Å; K66-A233 HydrophobicContact CD-CB 4.41Å; K66-A233 HydrophobicContact CG-CB 4.38Å; K66-A233 WeakPolarHBondContact O-CB 3.37Å; K66-A233 PolarHBondContact O-N 3.26Å; Y67-A233 HydrophobicContact CD1-CB 4.45Å; Q231-A233 PolarHBondContact O-N 3.18Å |
| 234 | L | 85.2 | Confident | 86.1 | Confident | 92 Ų | 92 | 94 Ų | 94 | 48% | 0.482 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 12.4 | -177.9 | -53.7 | 174.5 | 0 | 0 | 0 | 113 | W232 D236 V237 | W232-L234 VanDerWaalsContact CD1-C 3.47Å; W232-L234 HydrophobicContact CH2-CD1 4.17Å; W232-L234 HydrophobicContact CZ2-CB 4.07Å; W232-L234 HydrophobicContact CZ2-CD1 3.71Å; W232-L234 HydrophobicContact CZ2-CG 4.17Å; W232-L234 PolarHBondContact O-N 2.91Å; L234-D236 VanDerWaalsContact C-N 3.29Å; L234-D236 PolarHBondContact O-N 3.35Å; L234-V237 HydrophobicContact CB-CB 4.29Å; L234-V237 HydrophobicContact CB-CG1 4.08Å; L234-V237 HydrophobicContact CD2-CB 4.16Å; L234-V237 HydrophobicContact CD2-CG1 4.47Å; L234-V237 HydrophobicContact CD2-CG2 4.13Å; L234-V237 WeakPolarHBondContact O-CG1 3.48Å |
| 235 | D | 83.9 | Confident | 85.2 | Confident | 117 Ų | 117 | 99.4 Ų | 99.4 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -44.3 | 178.4 | -88.1 | -23.2 | 0 | 0 | 0 | 110.5 | W232 | W232-D235 HydrophobicContact CB-CB 4.49Å; W232-D235 WeakPolarHBondContact CB-OD2 3.02Å; W232-D235 PolarHBondContact O-N 3.37Å |
| 236 | D | 84.1 | Confident | 83.9 | Confident | 105 Ų | 105 | 103.3 Ų | 103.3 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 13.8 | -175.6 | -53.2 | -41.9 | 0 | 0 | 0 | 113.5 | L234 E238 E239 E240 | L234-D236 VanDerWaalsContact C-N 3.29Å; L234-D236 PolarHBondContact O-N 3.35Å; D236-E238 VanDerWaalsContact C-N 3.26Å; D236-E238 PolarHBondContact O-N 2.64Å; D236-E239 PolarHBondContact O-N 3.06Å; D236-E240 WeakPolarHBondContact O-CB 3.26Å; D236-E240 PolarHBondContact O-N 3.16Å |
| 237 | V | 85 | Confident | 82.5 | Confident | 62 Ų | 62 | 106 Ų | 106 | 38% | 0.376 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.3 | -34.9 | -172.4 | 70.9 | 0 | 0 | 0 | 0 | 112.4 | L234 L241 | L234-V237 HydrophobicContact CB-CB 4.29Å; L234-V237 HydrophobicContact CB-CG1 4.08Å; L234-V237 HydrophobicContact CD2-CB 4.16Å; L234-V237 HydrophobicContact CD2-CG1 4.47Å; L234-V237 HydrophobicContact CD2-CG2 4.13Å; L234-V237 WeakPolarHBondContact O-CG1 3.48Å; V237-L241 WeakPolarHBondContact O-CB 3.46Å; V237-L241 PolarHBondContact O-N 2.94Å |
| 238 | E | 83.5 | Confident | 81.2 | Confident | 156 Ų | 156 | 104 Ų | 104 | 73% | 0.729 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70 | -43 | 178.3 | -63.8 | -176.1 | 173.5 | 0 | 0 | 110.8 | D236 L241 M242 | D236-E238 VanDerWaalsContact C-N 3.26Å; D236-E238 PolarHBondContact O-N 2.64Å; E238-L241 PolarHBondContact O-N 2.96Å; E238-M242 WeakPolarHBondContact O-CB 3.42Å; E238-M242 WeakPolarHBondContact O-CG 3.36Å; E238-M242 PolarHBondContact O-N 2.8Å |
| 239 | E | 85 | Confident | 79.8 | Confident | 142 Ų | 142 | 110.6 Ų | 110.6 | 66% | 0.664 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.3 | -43.3 | 176.2 | -63.6 | -169.8 | 177.1 | 0 | 0 | 111.5 | D236 L241 M242 A243 | D236-E239 PolarHBondContact O-N 3.06Å; E239-L241 VanDerWaalsContact C-N 3.34Å; E239-L241 PolarHBondContact O-N 3.5Å; E239-M242 PolarHBondContact O-N 2.99Å; E239-A243 WeakPolarHBondContact O-CB 3.43Å; E239-A243 PolarHBondContact O-N 3.1Å |
| 240 | E | 84.4 | Confident | 78.4 | Confident | 109 Ų | 109 | 106.6 Ų | 106.6 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.2 | -38.6 | 176.4 | -169.1 | -175.6 | 174.2 | 0 | 0 | 111.8 | D236 K244 | D236-E240 WeakPolarHBondContact O-CB 3.26Å; D236-E240 PolarHBondContact O-N 3.16Å; E240-K244 HydrophobicContact CG-CD 4.44Å; E240-K244 WeakPolarHBondContact O-CG 3.21Å; E240-K244 PolarHBondContact O-N 2.88Å; E240-K244 VanDerWaalsContact O-N 3.15Å; E240-K244 WeakPolarHBondContact OE1-CE 3.16Å; E240-K244 IonicContact OE1-NZ 3.19Å; E240-K244 PolarHBondContact OE1-NZ 2.66Å |
| 241 | L | 83.4 | Confident | 76.6 | Confident | 98 Ų | 98 | 111 Ų | 111 | 51% | 0.513 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.1 | -38.9 | 177.4 | -172.1 | 70.5 | 0 | 0 | 0 | 111.8 | V237 E238 E239 L246 | V237-L241 WeakPolarHBondContact O-CB 3.46Å; V237-L241 PolarHBondContact O-N 2.94Å; E238-L241 PolarHBondContact O-N 2.96Å; E239-L241 VanDerWaalsContact C-N 3.34Å; E239-L241 PolarHBondContact O-N 3.5Å; L241-L246 HydrophobicContact CD1-CD2 3.71Å; L241-L246 HydrophobicContact CG-CD2 4.27Å |
| 242 | M | 81.4 | Confident | 75.4 | Confident | 158 Ų | 158 | 112 Ų | 112 | 78% | 0.778 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -75.5 | -32.3 | 178.1 | -69.5 | -67.7 | -69.3 | 0 | 0 | 112.6 | E238 E239 | E238-M242 WeakPolarHBondContact O-CB 3.42Å; E238-M242 WeakPolarHBondContact O-CG 3.36Å; E238-M242 PolarHBondContact O-N 2.8Å; E239-M242 PolarHBondContact O-N 2.99Å |
| 243 | A | 79.5 | Confident | 73.8 | Confident | 87 Ų | 87 | 117 Ų | 117 | 72% | 0.719 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -77.2 | -24.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E239 | E239-A243 WeakPolarHBondContact O-CB 3.43Å; E239-A243 PolarHBondContact O-N 3.1Å |
| 244 | K | 72.8 | Confident | 72 | Confident | 117 Ų | 117 | 123.5 Ų | 123.5 | 51% | 0.509 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -79.6 | 121.1 | 170.4 | -76.6 | 173.8 | -175.9 | 165.9 | 0 | 108.5 | E240 L246 | E240-K244 HydrophobicContact CG-CD 4.44Å; E240-K244 WeakPolarHBondContact O-CG 3.21Å; E240-K244 PolarHBondContact O-N 2.88Å; E240-K244 VanDerWaalsContact O-N 3.15Å; E240-K244 WeakPolarHBondContact OE1-CE 3.16Å; E240-K244 IonicContact OE1-NZ 3.19Å; E240-K244 PolarHBondContact OE1-NZ 2.66Å; K244-L246 PolarHBondContact O-N 3.45Å |
| 245 | D | 72.1 | Confident | 70.1 | Confident | 136 Ų | 136 | 127.3 Ų | 127.3 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | trans | -52.2 | 110.7 | 160.7 | -81.8 | -34.4 | 0 | 0 | 0 | 107.3 | H247 | D245-H247 PolarHBondContact O-CD2 3.15Å; D245-H247 PolarHBondContact O-N 3.49Å | ||
| 246 | L | 64.5 | Low | 68.4 | Low | 83 Ų | 83 | 128.9 Ų | 128.9 | 44% | 0.435 | 64% | 0.641 | S | S | . | * | trans | -68.3 | 81.3 | 177.7 | -69.5 | 159.1 | 0 | 0 | 0 | 107.5 | L241 K244 F248 | L241-L246 HydrophobicContact CD1-CD2 3.71Å; L241-L246 HydrophobicContact CG-CD2 4.27Å; K244-L246 PolarHBondContact O-N 3.45Å; L246-F248 HydrophobicContact CB-CD2 3.83Å; L246-F248 HydrophobicContact CB-CE1 4.31Å; L246-F248 HydrophobicContact CB-CE2 3.3Å; L246-F248 HydrophobicContact CB-CZ 3.59Å; L246-F248 HydrophobicContact CD1-CE2 4.01Å; L246-F248 HydrophobicContact CD1-CZ 3.79Å; L246-F248 HydrophobicContact CD2-CE1 4.48Å; L246-F248 HydrophobicContact CD2-CZ 4.14Å; L246-F248 HydrophobicContact CG-CE2 4.18Å; L246-F248 HydrophobicContact CG-CZ 4.05Å; L246-F248 WeakPolarHBondContact O-CD2 3.37Å; L246-F248 PolarHBondContact O-N 2.88Å | ||
| 247 | H | 61.3 | Low | 66.5 | Low | 146 Ų | 146 | 132.4 Ų | 132.4 | 68% | 0.676 | 65% | 0.654 | S | S | * | * | trans | -70.5 | 79.6 | 170.7 | -75.1 | -76.5 | 0 | 0 | 0 | 108.7 | D245 E249 | D245-H247 PolarHBondContact O-CD2 3.15Å; D245-H247 PolarHBondContact O-N 3.49Å; H247-E249 PolarHBondContact O-N 2.9Å; H247-E249 VanDerWaalsContact O-N 3.12Å | ||
| 248 | F | 63.9 | Low | 64.7 | Low | 103 Ų | 103 | 135.2 Ų | 135.2 | 45% | 0.452 | 67% | 0.672 | S | S | . | * | G | 310 helix | trans | -64.2 | -10.3 | 175.4 | -65.7 | -74.9 | 0 | 0 | 0 | 113.1 | L246 G250 M251 | L246-F248 HydrophobicContact CB-CD2 3.83Å; L246-F248 HydrophobicContact CB-CE1 4.31Å; L246-F248 HydrophobicContact CB-CE2 3.3Å; L246-F248 HydrophobicContact CB-CZ 3.59Å; L246-F248 HydrophobicContact CD1-CE2 4.01Å; L246-F248 HydrophobicContact CD1-CZ 3.79Å; L246-F248 HydrophobicContact CD2-CE1 4.48Å; L246-F248 HydrophobicContact CD2-CZ 4.14Å; L246-F248 HydrophobicContact CG-CE2 4.18Å; L246-F248 HydrophobicContact CG-CZ 4.05Å; L246-F248 WeakPolarHBondContact O-CD2 3.37Å; L246-F248 PolarHBondContact O-N 2.88Å; F248-G250 PolarHBondContact O-N 3.21Å; F248-G250 VanDerWaalsContact O-N 3.08Å; F248-M251 HydrophobicContact CD1-CE 3.76Å; F248-M251 HydrophobicContact CD1-SD 4.33Å; F248-M251 HydrophobicContact CE1-CE 3.93Å; F248-M251 PolarHBondContact O-N 3Å; F248-M251 VanDerWaalsContact O-N 3.11Å |
| 249 | E | 60.3 | Low | 62.6 | Low | 170 Ų | 170 | 131.9 Ų | 131.9 | 79% | 0.794 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -59.1 | -21.8 | -179.2 | -67.2 | -166.5 | 158.3 | 0 | 0 | 114 | H247 | H247-E249 PolarHBondContact O-N 2.9Å; H247-E249 VanDerWaalsContact O-N 3.12Å |
| 250 | G | 58.3 | Low | 60.9 | Low | 44 Ų | 44 | 133.1 Ų | 133.1 | 45% | 0.454 | 68% | 0.675 | S | S | . | * | G | 310 helix | trans | -100.3 | -17.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | F248 K253 | F248-G250 PolarHBondContact O-N 3.21Å; F248-G250 VanDerWaalsContact O-N 3.08Å; G250-K253 PolarHBondContact O-N 3.42Å |
| 251 | M | 55.5 | Low | 59.4 | Low | 125 Ų | 125 | 141.2 Ų | 141.2 | 62% | 0.616 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -34.6 | -171.4 | -159.3 | -174.8 | -65.4 | 0 | 0 | 111.8 | F248 | F248-M251 HydrophobicContact CD1-CE 3.76Å; F248-M251 HydrophobicContact CD1-SD 4.33Å; F248-M251 HydrophobicContact CE1-CE 3.93Å; F248-M251 PolarHBondContact O-N 3Å; F248-M251 VanDerWaalsContact O-N 3.11Å |
| 252 | F | 61.7 | Low | 58.2 | Low | 178 Ų | 178 | 143.4 Ų | 143.4 | 78% | 0.781 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -8.8 | 176 | -62.1 | -75.4 | 0 | 0 | 0 | 114 | ||
| 253 | K | 56.9 | Low | 57 | Low | 176 Ų | 176 | 142.6 Ų | 142.6 | 77% | 0.765 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -13.9 | 179.6 | -88.9 | -174 | 178.3 | 175.3 | 0 | 114.4 | G250 E255 | G250-K253 PolarHBondContact O-N 3.42Å; K253-E255 PolarHBondContact O-N 2.94Å |
| 254 | K | 48.6 | Very low | 55.8 | Low | 189 Ų | 189 | 145.7 Ų | 145.7 | 82% | 0.822 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -78.6 | 86.3 | 164.6 | -84.8 | -175.5 | 175 | 178.5 | 0 | 107.5 | L256 | K254-L256 PolarHBondContact O-N 3.12Å; K254-L256 VanDerWaalsContact O-N 3.13Å |
| 255 | E | 46.3 | Very low | 54.8 | Low | 172 Ų | 172 | 147.4 Ų | 147.4 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | -33.8 | 122.6 | 154.4 | -75.9 | 179.2 | 155.2 | 0 | 0 | 108 | K253 Q257 | K253-E255 PolarHBondContact O-N 2.94Å; E255-Q257 VanDerWaalsContact C-N 3.3Å; E255-Q257 PolarHBondContact O-N 2.72Å | ||
| 256 | L | 48.7 | Very low | 53.7 | Low | 150 Ų | 150 | 148.1 Ų | 148.1 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | trans | -46.4 | 101.4 | 168.1 | -145.2 | 88.1 | 0 | 0 | 0 | 105.8 | K254 T258 | K254-L256 PolarHBondContact O-N 3.12Å; K254-L256 VanDerWaalsContact O-N 3.13Å; L256-T258 HydrophobicContact CB-CG2 4.46Å; L256-T258 HydrophobicContact CD2-CG2 3.66Å; L256-T258 HydrophobicContact CG-CG2 4.37Å; L256-T258 PolarHBondContact O-N 3.07Å | ||
| 257 | Q | 42.8 | Very low | 53 | Low | 179 Ų | 179 | 152.4 Ų | 152.4 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | trans | -69.3 | 79.5 | 169.3 | -82.9 | -172.4 | -29.3 | 0 | 0 | 106.2 | E255 S259 | E255-Q257 VanDerWaalsContact C-N 3.3Å; E255-Q257 PolarHBondContact O-N 2.72Å; Q257-S259 PolarHBondContact O-N 2.66Å | ||
| 258 | T | 46.8 | Very low | 52.4 | Low | 122 Ų | 122 | 152.9 Ų | 152.9 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -65.4 | 81.2 | 161.3 | 44.8 | 0 | 0 | 0 | 0 | 106.9 | L256 | L256-T258 HydrophobicContact CB-CG2 4.46Å; L256-T258 HydrophobicContact CD2-CG2 3.66Å; L256-T258 HydrophobicContact CG-CG2 4.37Å; L256-T258 PolarHBondContact O-N 3.07Å | ||
| 259 | S | 41.1 | Very low | 51.5 | Low | 85 Ų | 85 | 156.7 Ų | 156.7 | 59% | 0.594 | 78% | 0.776 | S | S | * | * | trans | -149.2 | 61.6 | 168.9 | 67.2 | 0 | 0 | 0 | 0 | 110.1 | Q257 | Q257-S259 PolarHBondContact O-N 2.66Š| ||
| 260 | I | 48.5 | Very low | 50.7 | Low | 168 Ų | 168 | 155.6 Ų | 155.6 | 86% | 0.862 | 77% | 0.774 | S | S | * | * | trans | -139 | 76.8 | 151.5 | -50.1 | 178.7 | 0 | 0 | 0 | 106.6 | ||||
| 261 | F | 53.4 | Low | 50 | Low | 279 Ų | 279 | 165.7 Ų | 165.7 | 100% | 1.224 | 80% | 0.803 | S | S | * | * | trans | -77.6 | 0 | 136.5 | -76.1 | -77.3 | 0 | 0 | 0 | 106.9 |
Retrieved 261 of 261 residues in 50.9 ms
(Link to these results)