| 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 | 33.2 | Very low | 42.1 | Very low | 196 Ų | 196 | 113.8 Ų | 113.8 | 97% | 0.966 | 58% | 0.583 | S | S | * | * | 0 | 108.3 | 0 | -75.5 | 176.8 | 179.2 | 0 | 0 | 106.6 | Y3 | M1-Y3 HydrophobicContact CB-CE1 4.16Å; M1-Y3 HydrophobicContact CB-CE2 4Å; M1-Y3 PolarHBondContact O-N 3.07Å; M1-Y3 HydrophobicContact SD-CE1 4.21Å; M1-Y3 PolarHBondContact SD-OH 3.24Å | |||
| 2 | N | 28.7 | Very low | 43.9 | Very low | 167 Ų | 167 | 122.5 Ų | 122.5 | 89% | 0.893 | 61% | 0.613 | S | S | * | * | trans | -77.7 | 113.1 | 166.5 | -87 | -6.1 | 0 | 0 | 0 | 106.2 | D4 | N2-D4 PolarHBondContact O-N 3.27Š| ||
| 3 | Y | 34.5 | Very low | 46.3 | Very low | 112 Ų | 112 | 116.8 Ų | 116.8 | 44% | 0.439 | 60% | 0.604 | S | S | . | * | trans | -84.8 | 96.9 | 176.7 | -65.2 | -73.4 | 0 | 0 | 0 | 107.4 | M1 Y5 L6 | M1-Y3 HydrophobicContact CB-CE1 4.16Å; M1-Y3 HydrophobicContact CB-CE2 4Å; M1-Y3 PolarHBondContact O-N 3.07Å; M1-Y3 HydrophobicContact SD-CE1 4.21Å; M1-Y3 PolarHBondContact SD-OH 3.24Å; Y3-Y5 AromaticContact CD1-CE1 3.55Å; Y3-Y5 HydrophobicContact CD1-CE1 3.55Å; Y3-Y5 AromaticContact CD1-CZ 3.75Å; Y3-Y5 WeakPolarHBondContact CD1-OH 3.4Å; Y3-Y5 AromaticContact CG-CE1 3.92Å; Y3-Y5 HydrophobicContact CG-CE1 3.92Å; Y3-Y5 AromaticContact CG-CZ 3.87Å; Y3-Y5 PolarHBondContact O-N 3.15Å; Y3-L6 HydrophobicContact CD2-CD1 4.2Å; Y3-L6 HydrophobicContact CG-CD1 4.4Å; Y3-L6 WeakPolarHBondContact O-CB 3.28Å; Y3-L6 PolarHBondContact O-N 3.37Å | ||
| 4 | D | 44 | Very low | 49.3 | Very low | 136 Ų | 136 | 113.9 Ų | 113.9 | 73% | 0.727 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -53.6 | -27.6 | -176.5 | -90.6 | -22.2 | 0 | 0 | 0 | 113.6 | N2 L6 S7 | N2-D4 PolarHBondContact O-N 3.27Å; D4-L6 PolarHBondContact O-N 3.2Å; D4-S7 PolarHBondContact O-N 3.31Å; D4-S7 PolarHBondContact O-OG 3.03Å; D4-S7 VanDerWaalsContact O-OG 3.05Å |
| 5 | Y | 46 | Very low | 52.3 | Low | 102 Ų | 102 | 107.8 Ų | 107.8 | 40% | 0.4 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -68.6 | -15.9 | 177.3 | 61.7 | -97.5 | 0 | 0 | 0 | 114.1 | Y3 L497 | Y3-Y5 AromaticContact CD1-CE1 3.55Å; Y3-Y5 HydrophobicContact CD1-CE1 3.55Å; Y3-Y5 AromaticContact CD1-CZ 3.75Å; Y3-Y5 WeakPolarHBondContact CD1-OH 3.4Å; Y3-Y5 AromaticContact CG-CE1 3.92Å; Y3-Y5 HydrophobicContact CG-CE1 3.92Å; Y3-Y5 AromaticContact CG-CZ 3.87Å; Y3-Y5 PolarHBondContact O-N 3.15Å; Y5-L497 HydrophobicContact CD2-CD2 4.32Å; Y5-L497 HydrophobicContact CE2-CD2 4.09Å |
| 6 | L | 35.4 | Very low | 55 | Low | 62 Ų | 62 | 102.4 Ų | 102.4 | 33% | 0.325 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -83.1 | -16.7 | 176.3 | -59 | -177.1 | 0 | 0 | 0 | 113 | Y3 D4 P495 L497 | Y3-L6 HydrophobicContact CD2-CD1 4.2Å; Y3-L6 HydrophobicContact CG-CD1 4.4Å; Y3-L6 WeakPolarHBondContact O-CB 3.28Å; Y3-L6 PolarHBondContact O-N 3.37Å; D4-L6 PolarHBondContact O-N 3.2Å; L6-P495 HydrophobicContact CB-CB 3.69Å; L6-P495 HydrophobicContact CB-CG 4.32Å; L6-P495 HydrophobicContact CD1-CB 4.48Å; L6-P495 HydrophobicContact CD1-CG 4.22Å; L6-P495 HydrophobicContact CD2-CB 3.69Å; L6-P495 HydrophobicContact CD2-CG 3.61Å; L6-P495 HydrophobicContact CG-CB 4.13Å; L6-P495 HydrophobicContact CG-CG 4.26Å; L6-L497 HydrophobicContact CD2-CD2 4.4Å |
| 7 | S | 39.9 | Very low | 57.5 | Low | 83 Ų | 83 | 96.4 Ų | 96.4 | 58% | 0.58 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -111.6 | 18.8 | -172.9 | 41 | 0 | 0 | 0 | 0 | 113.8 | D4 | D4-S7 PolarHBondContact O-N 3.31Å; D4-S7 PolarHBondContact O-OG 3.03Å; D4-S7 VanDerWaalsContact O-OG 3.05Å |
| 8 | S | 46.8 | Very low | 59.7 | Low | 33 Ų | 33 | 91.1 Ų | 91.1 | 23% | 0.231 | 46% | 0.464 | C | S | . | . | trans | -66 | 126.4 | 178.1 | 72.3 | 0 | 0 | 0 | 0 | 110.6 | S496 E498 | S8-S496 PolarHBondContact OG-OG 2.71Å; S8-S496 VanDerWaalsContact OG-OG 3.11Å; S8-E498 WeakPolarHBondContact CB-OE1 3.43Å | ||
| 9 | P | 47.5 | Very low | 61.8 | Low | 110 Ų | 110 | 86.3 Ų | 86.3 | 71% | 0.714 | 44% | 0.44 | S | S | * | . | trans | -62.4 | 144.9 | 173.7 | 23.5 | -31 | 0 | 0 | 0 | 110.9 | K11 | P9-K11 PolarHBondContact O-N 3.19Š| ||
| 10 | Q | 50.4 | Low | 63.6 | Low | 134 Ų | 134 | 82 Ų | 82 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | trans | -52.5 | 112.5 | 173 | -99.6 | -178 | -22.7 | 0 | 0 | 109.6 | K12 | Q10-K12 PolarHBondContact O-N 3.37Š| ||
| 11 | K | 56.9 | Low | 65.2 | Low | 117 Ų | 117 | 78.1 Ų | 78.1 | 51% | 0.509 | 40% | 0.398 | S | S | . | . | trans | -69 | 130.5 | 175.3 | -69.8 | 175.7 | -177.8 | 165.3 | 0 | 108.6 | P9 G13 R14 | P9-K11 PolarHBondContact O-N 3.19Å; K11-G13 PolarHBondContact O-N 3.33Å; K11-R14 HydrophobicContact CB-CG 4.05Å; K11-R14 PolarHBondContact O-N 3.25Å; K11-R14 VanDerWaalsContact O-N 3.1Å | ||
| 12 | K | 63.6 | Low | 68.2 | Low | 218 Ų | 218 | 68.8 Ų | 68.8 | 95% | 0.948 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | 130.3 | 176.7 | -87.2 | -175.8 | 175.6 | 178.6 | 0 | 110.7 | Q10 | Q10-K12 PolarHBondContact O-N 3.37Š|
| 13 | G | 75.2 | Confident | 71.3 | Confident | 48 Ų | 48 | 62.6 Ų | 62.6 | 50% | 0.495 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 3.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | K11 H47 | K11-G13 PolarHBondContact O-N 3.33Å; G13-H47 PolarHBondContact O-CE1 3.44Å |
| 14 | R | 88.1 | Confident | 74.1 | Confident | 76 Ų | 76 | 57.4 Ų | 57.4 | 29% | 0.287 | 30% | 0.298 | S | S | . | . | trans | -102.3 | 141.3 | 171.8 | -54.6 | -53.5 | 178.6 | -160.6 | 2.6 | 110.3 | K11 R45 | K11-R14 HydrophobicContact CB-CG 4.05Å; K11-R14 PolarHBondContact O-N 3.25Å; K11-R14 VanDerWaalsContact O-N 3.1Å; R14-R45 PolarHBondContact NE-O 2.88Å; R14-R45 VanDerWaalsContact NE-O 3.17Å; R14-R45 PolarHBondContact NH1-O 3.14Å; R14-R45 PolarHBondContact NH2-O 2.88Å; R14-R45 VanDerWaalsContact NH2-O 3.11Å | ||
| 15 | F | 93.8 | Very high | 76.3 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 10% | 0.101 | 28% | 0.275 | C | S | . | . | trans | -125.3 | 148.2 | -174.9 | -53.5 | -57.3 | 0 | 0 | 0 | 110.1 | I17 H47 R48 D109 I110 Y439 M443 | F15-I17 HydrophobicContact CB-CD1 4.28Å; F15-I17 HydrophobicContact CB-CG1 3.94Å; F15-H47 AromaticContact CD2-CE1 3.56Å; F15-H47 AromaticContact CD2-ND1 3.73Å; F15-H47 PolarHBondContact N-ND1 3.07Å; F15-H47 VanDerWaalsContact N-ND1 3.12Å; F15-R48 PolarHBondContact O-N 2.84Å; F15-R48 VanDerWaalsContact O-N 3.09Å; F15-D109 WeakPolarHBondContact CA-OD2 3.43Å; F15-D109 HydrophobicContact CB-CB 4.48Å; F15-I110 HydrophobicContact CB-CD1 4Å; F15-I110 HydrophobicContact CD1-CD1 4.39Å; F15-I110 HydrophobicContact CD2-CD1 3.89Å; F15-I110 HydrophobicContact CG-CD1 3.84Å; F15-Y439 HydrophobicContact CD2-CD2 4.5Å; F15-M443 HydrophobicContact CD1-CE 4.45Å; F15-M443 HydrophobicContact CD1-CG 4.26Å; F15-M443 HydrophobicContact CE1-CB 4.4Å; F15-M443 HydrophobicContact CE1-CE 4.33Å; F15-M443 HydrophobicContact CE1-CG 3.76Å; F15-M443 HydrophobicContact CZ-CB 4.5Å; F15-M443 HydrophobicContact CZ-CG 4.03Å | ||
| 16 | N | 95.3 | Very high | 78.4 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 112.1 | 165.7 | -62.1 | -29.9 | 0 | 0 | 0 | 108.3 | R48 Q107 I108 D109 I110 | N16-R48 WeakPolarHBondContact CA-O 3.3Å; N16-R48 VanDerWaalsContact OD1-CB 3.3Å; N16-R48 WeakPolarHBondContact OD1-CB 3.31Å; N16-R48 WeakPolarHBondContact OD1-CD 3.25Å; N16-Q107 WeakPolarHBondContact CB-O 3.47Å; N16-Q107 PolarHBondContact ND2-O 3.08Å; N16-I108 HydrophobicContact CB-CD1 4.37Å; N16-D109 PolarHBondContact N-OD2 3.07Å; N16-D109 PolarHBondContact O-N 3.33Å; N16-I110 PolarHBondContact O-N 2.89Å |
| 17 | I | 97.5 | Very high | 80.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 129.1 | -170 | -57.6 | 159.7 | 0 | 0 | 0 | 109.3 | F15 M19 L42 H47 R48 V49 I50 I110 H112 Y439 | F15-I17 HydrophobicContact CB-CD1 4.28Å; F15-I17 HydrophobicContact CB-CG1 3.94Å; I17-M19 HydrophobicContact CG2-CE 4.16Å; I17-M19 HydrophobicContact CG2-SD 4.13Å; I17-L42 HydrophobicContact CD1-CD1 4.28Å; I17-H47 HydrophobicContact CD1-CB 3.91Å; I17-R48 PolarHBondContact N-O 3.05Å; I17-V49 WeakPolarHBondContact O-CA 3.35Å; I17-I50 PolarHBondContact O-N 3.39Å; I17-I110 WeakPolarHBondContact CA-O 3.44Å; I17-I110 HydrophobicContact CG1-CB 4.4Å; I17-H112 HydrophobicContact CG2-CB 4.31Å; I17-Y439 HydrophobicContact CD1-CD2 3.85Å; I17-Y439 HydrophobicContact CD1-CE2 3.42Å; I17-Y439 VanDerWaalsContact CD1-CE2 3.42Å; I17-Y439 HydrophobicContact CG1-CE2 4.33Å |
| 18 | A | 98.4 | Very high | 82.9 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 110.1 | 168 | 0 | 0 | 0 | 0 | 0 | 109.7 | V20 I50 I52 I108 I110 I111 H112 | A18-V20 HydrophobicContact CB-CG2 4.42Å; A18-I50 HydrophobicContact CB-CD1 4.07Å; A18-I50 HydrophobicContact CB-CG1 3.8Å; A18-I52 HydrophobicContact CB-CD1 4.09Å; A18-I52 HydrophobicContact CB-CG1 4.48Å; A18-I108 HydrophobicContact CB-CD1 3.92Å; A18-I108 HydrophobicContact CB-CG1 4.05Å; A18-I108 HydrophobicContact CB-CG2 3.92Å; A18-I110 PolarHBondContact N-O 3.27Å; A18-I111 HydrophobicContact CB-CG1 4.4Å; A18-H112 PolarHBondContact O-N 3.4Å |
| 19 | M | 98.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 128.5 | 167.2 | -56.6 | -62.7 | -170.8 | 0 | 0 | 108.5 | I17 I35 L38 L42 V49 I50 I51 I52 H112 | I17-M19 HydrophobicContact CG2-CE 4.16Å; I17-M19 HydrophobicContact CG2-SD 4.13Å; M19-I35 HydrophobicContact CB-CG2 3.9Å; M19-I35 HydrophobicContact CG-CG2 4.29Å; M19-L38 HydrophobicContact CE-CD2 4.05Å; M19-L38 HydrophobicContact CE-CG 4.06Å; M19-L42 HydrophobicContact CE-CD1 3.29Å; M19-V49 HydrophobicContact CE-CG1 4.12Å; M19-V49 HydrophobicContact CG-CG1 3.82Å; M19-I50 PolarHBondContact N-O 3.45Å; M19-I51 HydrophobicContact CB-CG1 4.13Å; M19-I51 CarbonylContact O-C 3.55Å; M19-I51 VanDerWaalsContact O-CA 3.25Å; M19-I51 WeakPolarHBondContact O-CA 3.34Å; M19-I52 PolarHBondContact O-N 2.77Å; M19-H112 CarbonylContact C-O 3.54Å; M19-H112 WeakPolarHBondContact CA-O 3.5Å; M19-H112 HydrophobicContact SD-CB 3.7Å |
| 20 | V | 98.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 124.8 | -177 | -170.1 | 0 | 0 | 0 | 0 | 110.7 | A18 I52 I111 H112 H114 L120 A121 A124 | A18-V20 HydrophobicContact CB-CG2 4.42Å; V20-I52 WeakPolarHBondContact CA-O 3.47Å; V20-I52 HydrophobicContact CG1-CB 4.29Å; V20-I52 HydrophobicContact CG2-CB 4.12Å; V20-I52 HydrophobicContact CG2-CD1 4.24Å; V20-I52 HydrophobicContact CG2-CG1 4.42Å; V20-I111 HydrophobicContact CG2-CG2 3.85Å; V20-H112 PolarHBondContact N-O 2.85Å; V20-H114 PolarHBondContact O-N 3.11Å; V20-L120 HydrophobicContact CG1-CD1 4.5Å; V20-L120 HydrophobicContact CG1-CD2 4.32Å; V20-L120 HydrophobicContact CG1-CG 3.77Å; V20-A121 WeakPolarHBondContact O-CB 3.49Å; V20-A124 HydrophobicContact CB-CB 4.05Å; V20-A124 HydrophobicContact CG1-CB 3.65Å; V20-A124 HydrophobicContact CG2-CB 3.99Å |
| 21 | S | 97.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | trans | -160.4 | 148.1 | 174.1 | -160.6 | 0 | 0 | 0 | 0 | 111.9 | F23 I35 I52 T53 H114 S118 | S21-F23 PolarHBondContact O-N 2.73Å; S21-F23 PolarHBondContact OG-N 3.08Å; S21-I35 VanDerWaalsContact CB-CD1 3.46Å; S21-I52 PolarHBondContact N-O 3.37Å; S21-T53 WeakPolarHBondContact O-CA 3.45Å; S21-T53 VanDerWaalsContact O-CB 3.24Å; S21-T53 WeakPolarHBondContact O-CB 3.49Å; S21-T53 PolarHBondContact O-OG1 2.86Å; S21-H114 PolarHBondContact OG-O 2.96Å; S21-S118 WeakPolarHBondContact CA-OG 3.45Å | ||
| 22 | D | 95.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -61.5 | -30.5 | 161.6 | -73.1 | -82.8 | 0 | 0 | 0 | 111.5 | C24 T53 H54 Y56 I88 S118 P119 L120 | D22-C24 PolarHBondContact O-N 3.26Å; D22-T53 PolarHBondContact O-OG1 2.81Å; D22-H54 PolarHBondContact O-NE2 3.2Å; D22-H54 IonicContact OD1-CD2 2.87Å; D22-H54 PolarHBondContact OD1-CD2 3.25Å; D22-Y56 PolarHBondContact O-OH 3.12Å; D22-I88 WeakPolarHBondContact OD1-CG1 3.42Å; D22-I88 WeakPolarHBondContact OD1-CG2 3.39Å; D22-I88 PolarHBondContact OD1-N 2.8Å; D22-S118 PolarHBondContact N-OG 3.4Å; D22-S118 WeakPolarHBondContact OD2-CA 3.44Å; D22-S118 WeakPolarHBondContact OD2-CB 3.29Å; D22-S118 PolarHBondContact OD2-OG 3.43Å; D22-P119 VanDerWaalsContact OD2-CD 3.23Å; D22-P119 WeakPolarHBondContact OD2-CD 3.23Å; D22-P119 VanDerWaalsContact OD2-N 3.11Å; D22-L120 VanDerWaalsContact OD2-CB 3.27Å; D22-L120 WeakPolarHBondContact OD2-CB 3.43Å; D22-L120 PolarHBondContact OD2-N 2.91Å |
| 23 | F | 93.5 | Very high | 91.6 | Very high | 37 Ų | 37 | 28.2 Ų | 28.2 | 16% | 0.162 | 17% | 0.174 | C | C | . | . | trans | -91.2 | 107.4 | -176.4 | -46.6 | -59.6 | 0 | 0 | 0 | 111 | S21 V31 E32 | S21-F23 PolarHBondContact O-N 2.73Å; S21-F23 PolarHBondContact OG-N 3.08Å; F23-V31 HydrophobicContact CB-CB 4.29Å; F23-V31 HydrophobicContact CB-CG1 4.13Å; F23-V31 HydrophobicContact CD2-CG1 4.19Å; F23-E32 HydrophobicContact CB-CG 4.05Å | ||
| 24 | C | 93.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.02 | 15% | 0.152 | C | C | . | . | trans | -150 | 170 | 177 | -162.7 | 0 | 0 | 0 | 0 | 111.7 | D22 N27 T53 Y56 | D22-C24 PolarHBondContact O-N 3.26Å; C24-N27 PolarHBondContact O-N 2.91Å; C24-N27 VanDerWaalsContact O-N 3.16Å; C24-T53 HydrophobicContact CB-CG2 3.81Å; C24-T53 WeakPolarHBondContact CB-OG1 3.49Å; C24-Y56 PolarHBondContact N-OH 2.76Å; C24-Y56 PolarHBondContact O-OH 2.84Å; C24-Y56 VanDerWaalsContact O-OH 3.11Å | ||
| 25 | Y | 90.8 | Very high | 93 | Very high | 63 Ų | 63 | 22.6 Ų | 22.6 | 25% | 0.247 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 136.6 | 167.8 | -77.5 | -81.5 | 0 | 0 | 0 | 110.3 | V28 F36 L69 Y77 | Y25-V28 HydrophobicContact CE1-CG2 4.12Å; Y25-F36 HydrophobicContact CD2-CB 4.36Å; Y25-F36 HydrophobicContact CD2-CD2 4.49Å; Y25-F36 HydrophobicContact CE2-CB 3.69Å; Y25-F36 HydrophobicContact CE2-CD1 4.39Å; Y25-F36 HydrophobicContact CE2-CD2 4.11Å; Y25-F36 AromaticContact CE2-CG 3.81Å; Y25-F36 HydrophobicContact CE2-CG 3.81Å; Y25-L69 HydrophobicContact CD2-CD1 4.23Å; Y25-Y77 WeakPolarHBondContact O-CE1 3.25Å; Y25-Y77 PolarHBondContact O-OH 2.77Å |
| 26 | P | 89 | Confident | 93 | Very high | 29 Ų | 29 | 23.8 Ų | 23.8 | 19% | 0.188 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -88.9 | -6.9 | 25.2 | 35.3 | -31.6 | 0 | 0 | 0 | 114.6 | Y56 R63 | P26-Y56 HydrophobicContact CG-CD1 4.43Å; P26-Y56 HydrophobicContact CG-CG 4.2Å; P26-R63 HydrophobicContact CG-CG 4Å |
| 27 | N | 87.2 | Confident | 93.1 | Very high | 47 Ų | 47 | 23.6 Ų | 23.6 | 25% | 0.251 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -67.1 | 147.7 | 174.3 | -67.2 | -14.9 | 0 | 0 | 0 | 110.2 | C24 Y56 Q86 | C24-N27 PolarHBondContact O-N 2.91Å; C24-N27 VanDerWaalsContact O-N 3.16Å; N27-Y56 VanDerWaalsContact ND2-CE1 3.31Å; N27-Y56 WeakPolarHBondContact ND2-CE1 3.39Å; N27-Q86 WeakPolarHBondContact ND2-CG 3.33Å |
| 28 | V | 82.5 | Confident | 93.1 | Very high | 81 Ų | 81 | 23.7 Ų | 23.7 | 49% | 0.491 | 15% | 0.145 | S | C | . | . | trans | -120 | 126.7 | -178.9 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | Y25 P279 | Y25-V28 HydrophobicContact CE1-CG2 4.12Å; V28-P279 HydrophobicContact CG1-CG 3.88Å | ||
| 29 | G | 84.4 | Confident | 93 | Very high | 25 Ų | 25 | 23.7 Ų | 23.7 | 26% | 0.258 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -171.9 | 178.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V31 E32 S33 | G29-V31 PolarHBondContact O-N 2.91Å; G29-E32 WeakPolarHBondContact CA-OE2 3.43Å; G29-E32 PolarHBondContact N-OE2 3.1Å; G29-E32 PolarHBondContact O-N 2.81Å; G29-S33 WeakPolarHBondContact O-CB 3.37Å; G29-S33 PolarHBondContact O-N 2.74Å; G29-S33 PolarHBondContact O-OG 3.49Å; G29-S33 VanDerWaalsContact O-OG 3.12Å |
| 30 | G | 86.6 | Confident | 92.8 | Very high | 44 Ų | 44 | 24.5 Ų | 24.5 | 45% | 0.454 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -64.1 | -38.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | H34 | G30-H34 VanDerWaalsContact O-CB 3.27Å; G30-H34 WeakPolarHBondContact O-CB 3.42Å; G30-H34 PolarHBondContact O-N 2.84Å |
| 31 | V | 91.9 | Very high | 92.6 | Very high | 25 Ų | 25 | 25.1 Ų | 25.1 | 15% | 0.152 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -73.2 | -42.4 | -179.7 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | F23 G29 H34 I35 H114 H140 | F23-V31 HydrophobicContact CB-CB 4.29Å; F23-V31 HydrophobicContact CB-CG1 4.13Å; F23-V31 HydrophobicContact CD2-CG1 4.19Å; G29-V31 PolarHBondContact O-N 2.91Å; V31-H34 WeakPolarHBondContact O-CB 3.41Å; V31-H34 PolarHBondContact O-N 3.27Å; V31-I35 HydrophobicContact CG1-CD1 3.84Å; V31-I35 HydrophobicContact CG1-CG1 4.41Å; V31-I35 VanDerWaalsContact O-CG1 3.32Å; V31-I35 WeakPolarHBondContact O-CG1 3.42Å; V31-I35 PolarHBondContact O-N 3.32Å; V31-H114 HydrophobicContact CG1-CB 4.2Å; V31-H140 HydrophobicContact CG2-CB 3.96Å |
| 32 | E | 93.1 | Very high | 92.5 | Very high | 24 Ų | 24 | 25 Ų | 25 | 11% | 0.112 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.7 | -47.7 | 177.8 | -60.5 | 90.1 | 154.3 | 0 | 0 | 111.1 | F23 G29 I35 F36 | F23-E32 HydrophobicContact CB-CG 4.05Å; G29-E32 WeakPolarHBondContact CA-OE2 3.43Å; G29-E32 PolarHBondContact N-OE2 3.1Å; G29-E32 PolarHBondContact O-N 2.81Å; E32-I35 PolarHBondContact O-N 3.47Å; E32-F36 WeakPolarHBondContact O-CB 3.3Å; E32-F36 PolarHBondContact O-N 3.19Å |
| 33 | S | 91.9 | Very high | 92.4 | Very high | 44 Ų | 44 | 25.6 Ų | 25.6 | 31% | 0.308 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.3 | -39.8 | 175.5 | -67.8 | 0 | 0 | 0 | 0 | 112 | G29 F36 A37 | G29-S33 WeakPolarHBondContact O-CB 3.37Å; G29-S33 PolarHBondContact O-N 2.74Å; G29-S33 PolarHBondContact O-OG 3.49Å; G29-S33 VanDerWaalsContact O-OG 3.12Å; S33-F36 PolarHBondContact O-N 3.49Å; S33-A37 VanDerWaalsContact O-CB 3.27Å; S33-A37 WeakPolarHBondContact O-CB 3.47Å; S33-A37 PolarHBondContact O-N 3.04Å |
| 34 | H | 95.3 | Very high | 92.2 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 3% | 0.028 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.8 | -52.9 | 175.8 | 176.6 | 113.3 | 0 | 0 | 0 | 111.6 | G30 V31 F36 A37 L38 H114 H140 N194 W428 | G30-H34 VanDerWaalsContact O-CB 3.27Å; G30-H34 WeakPolarHBondContact O-CB 3.42Å; G30-H34 PolarHBondContact O-N 2.84Å; V31-H34 WeakPolarHBondContact O-CB 3.41Å; V31-H34 PolarHBondContact O-N 3.27Å; H34-F36 VanDerWaalsContact C-N 3.28Å; H34-F36 PolarHBondContact O-N 3.44Å; H34-A37 PolarHBondContact O-N 3Å; H34-L38 WeakPolarHBondContact O-CB 3.44Å; H34-L38 PolarHBondContact O-N 3.32Å; H34-H114 AromaticContact CD2-CE1 3.53Å; H34-H114 AromaticContact CD2-ND1 3.72Å; H34-H114 AromaticContact NE2-CE1 3.61Å; H34-H114 AromaticContact NE2-ND1 3.99Å; H34-H140 AromaticContact CD2-CE1 3.77Å; H34-H140 AromaticContact CE1-CE1 3.68Å; H34-H140 AromaticContact CG-CE1 3.64Å; H34-H140 AromaticContact ND1-CE1 3.57Å; H34-H140 AromaticContact NE2-CE1 3.79Å; H34-N194 PolarHBondContact CE1-OD1 3.48Å; H34-N194 VanDerWaalsContact CE1-OD1 3.29Å; H34-N194 PolarHBondContact ND1-OD1 3.19Å; H34-W428 VanDerWaalsContact CA-CH2 3.5Å; H34-W428 HydrophobicContact CB-CH2 3.81Å; H34-W428 HydrophobicContact CB-CZ3 4.44Å; H34-W428 AromaticContact CG-CH2 3.73Å; H34-W428 AromaticContact CG-CZ3 3.95Å; H34-W428 AromaticContact ND1-CH2 3.52Å; H34-W428 AromaticContact ND1-CZ3 3.66Å |
| 35 | I | 97.2 | Very high | 92 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.3 | -46.1 | -179 | -68.9 | 165.5 | 0 | 0 | 0 | 109.6 | M19 S21 V31 E32 S39 I51 H114 | M19-I35 HydrophobicContact CB-CG2 3.9Å; M19-I35 HydrophobicContact CG-CG2 4.29Å; S21-I35 VanDerWaalsContact CB-CD1 3.46Å; V31-I35 HydrophobicContact CG1-CD1 3.84Å; V31-I35 HydrophobicContact CG1-CG1 4.41Å; V31-I35 VanDerWaalsContact O-CG1 3.32Å; V31-I35 WeakPolarHBondContact O-CG1 3.42Å; V31-I35 PolarHBondContact O-N 3.32Å; E32-I35 PolarHBondContact O-N 3.47Å; I35-S39 WeakPolarHBondContact O-CB 3.34Å; I35-S39 PolarHBondContact O-N 3.09Å; I35-S39 PolarHBondContact O-OG 3.45Å; I35-I51 HydrophobicContact CG2-CD1 3.7Å; I35-I51 HydrophobicContact CG2-CG1 4.01Å; I35-H114 HydrophobicContact CD1-CB 3.85Å; I35-H114 HydrophobicContact CG1-CB 4.14Å |
| 36 | F | 95.9 | Very high | 92 | Very high | 48 Ų | 48 | 25.7 Ų | 25.7 | 21% | 0.211 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.3 | -56.8 | 178.8 | 177 | -101.4 | 0 | 0 | 0 | 111.7 | Y25 E32 S33 H34 L38 S39 Q40 L69 P70 L73 | Y25-F36 HydrophobicContact CD2-CB 4.36Å; Y25-F36 HydrophobicContact CD2-CD2 4.49Å; Y25-F36 HydrophobicContact CE2-CB 3.69Å; Y25-F36 HydrophobicContact CE2-CD1 4.39Å; Y25-F36 HydrophobicContact CE2-CD2 4.11Å; Y25-F36 AromaticContact CE2-CG 3.81Å; Y25-F36 HydrophobicContact CE2-CG 3.81Å; E32-F36 WeakPolarHBondContact O-CB 3.3Å; E32-F36 PolarHBondContact O-N 3.19Å; S33-F36 PolarHBondContact O-N 3.49Å; H34-F36 VanDerWaalsContact C-N 3.28Å; H34-F36 PolarHBondContact O-N 3.44Å; F36-L38 PolarHBondContact O-N 3.1Å; F36-S39 WeakPolarHBondContact O-CB 3.47Å; F36-S39 PolarHBondContact O-N 3.47Å; F36-S39 VanDerWaalsContact O-N 3.15Å; F36-Q40 HydrophobicContact CD1-CG 4.3Å; F36-Q40 HydrophobicContact CD2-CG 4.42Å; F36-Q40 HydrophobicContact CE1-CG 3.95Å; F36-Q40 HydrophobicContact CE2-CG 4.08Å; F36-Q40 HydrophobicContact CZ-CG 3.83Å; F36-Q40 VanDerWaalsContact O-CG 3.31Å; F36-Q40 WeakPolarHBondContact O-CG 3.22Å; F36-Q40 PolarHBondContact O-N 3.23Å; F36-L69 HydrophobicContact CD2-CD1 4.07Å; F36-L69 HydrophobicContact CE2-CB 4.21Å; F36-L69 HydrophobicContact CE2-CD1 4.36Å; F36-P70 HydrophobicContact CZ-CB 4.4Å; F36-P70 HydrophobicContact CZ-CG 4.33Å; F36-L73 HydrophobicContact CD2-CD2 3.9Å; F36-L73 HydrophobicContact CE2-CD2 4.3Å |
| 37 | A | 95.7 | Very high | 92.1 | Very high | 18 Ų | 18 | 24.4 Ų | 24.4 | 15% | 0.149 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S33 H34 S39 Q40 C41 W428 | S33-A37 VanDerWaalsContact O-CB 3.27Å; S33-A37 WeakPolarHBondContact O-CB 3.47Å; S33-A37 PolarHBondContact O-N 3.04Å; H34-A37 PolarHBondContact O-N 3Å; A37-S39 VanDerWaalsContact C-N 3.35Å; A37-S39 PolarHBondContact O-N 3.21Å; A37-Q40 PolarHBondContact O-N 3.11Å; A37-C41 PolarHBondContact O-N 3.38Å; A37-W428 HydrophobicContact CB-CD2 3.41Å; A37-W428 VanDerWaalsContact CB-CD2 3.41Å; A37-W428 HydrophobicContact CB-CE3 3.94Å; A37-W428 HydrophobicContact CB-CG 3.72Å; A37-W428 HydrophobicContact CB-CH2 4.38Å; A37-W428 HydrophobicContact CB-CZ2 3.88Å; A37-W428 HydrophobicContact CB-CZ3 4.39Å |
| 38 | L | 97.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 174.1 | 178.6 | 58 | 0 | 0 | 0 | 111.5 | M19 H34 F36 Q40 C41 L42 W428 V431 A432 T435 | M19-L38 HydrophobicContact CE-CD2 4.05Å; M19-L38 HydrophobicContact CE-CG 4.06Å; H34-L38 WeakPolarHBondContact O-CB 3.44Å; H34-L38 PolarHBondContact O-N 3.32Å; F36-L38 PolarHBondContact O-N 3.1Å; L38-Q40 VanDerWaalsContact C-N 3.33Å; L38-Q40 PolarHBondContact O-N 3.4Å; L38-C41 PolarHBondContact O-N 2.95Å; L38-L42 HydrophobicContact CD1-CD1 3.96Å; L38-L42 HydrophobicContact CD1-CG 4.07Å; L38-L42 HydrophobicContact CG-CD1 3.83Å; L38-L42 HydrophobicContact CG-CG 4.39Å; L38-L42 WeakPolarHBondContact O-CB 3.48Å; L38-L42 WeakPolarHBondContact O-CG 3.36Å; L38-L42 PolarHBondContact O-N 2.89Å; L38-W428 HydrophobicContact CB-CE3 4.36Å; L38-W428 HydrophobicContact CB-CZ3 4.31Å; L38-V431 HydrophobicContact CD1-CG1 4.18Å; L38-A432 HydrophobicContact CD1-CB 4.03Å; L38-T435 HydrophobicContact CD2-CG2 4.38Å |
| 39 | S | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 177.3 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | I35 F36 A37 C41 L42 I43 | I35-S39 WeakPolarHBondContact O-CB 3.34Å; I35-S39 PolarHBondContact O-N 3.09Å; I35-S39 PolarHBondContact O-OG 3.45Å; F36-S39 WeakPolarHBondContact O-CB 3.47Å; F36-S39 PolarHBondContact O-N 3.47Å; F36-S39 VanDerWaalsContact O-N 3.15Å; A37-S39 VanDerWaalsContact C-N 3.35Å; A37-S39 PolarHBondContact O-N 3.21Å; S39-C41 VanDerWaalsContact C-N 3.35Å; S39-C41 PolarHBondContact O-N 3.1Å; S39-L42 PolarHBondContact O-N 2.94Å; S39-I43 VanDerWaalsContact O-CG1 3.28Å; S39-I43 WeakPolarHBondContact O-CG1 3.45Å; S39-I43 PolarHBondContact O-N 2.9Å |
| 40 | Q | 94.7 | Very high | 93.7 | Very high | 18 Ų | 18 | 19.9 Ų | 19.9 | 8% | 0.084 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.2 | -44.8 | 176.4 | -64.2 | -56.2 | -40.6 | 0 | 0 | 111.3 | F36 A37 L38 I43 R44 P70 R71 | F36-Q40 HydrophobicContact CD1-CG 4.3Å; F36-Q40 HydrophobicContact CD2-CG 4.42Å; F36-Q40 HydrophobicContact CE1-CG 3.95Å; F36-Q40 HydrophobicContact CE2-CG 4.08Å; F36-Q40 HydrophobicContact CZ-CG 3.83Å; F36-Q40 VanDerWaalsContact O-CG 3.31Å; F36-Q40 WeakPolarHBondContact O-CG 3.22Å; F36-Q40 PolarHBondContact O-N 3.23Å; A37-Q40 PolarHBondContact O-N 3.11Å; L38-Q40 VanDerWaalsContact C-N 3.33Å; L38-Q40 PolarHBondContact O-N 3.4Å; Q40-I43 PolarHBondContact O-N 2.95Å; Q40-R44 VanDerWaalsContact O-CG 3.29Å; Q40-R44 WeakPolarHBondContact O-CG 3.34Å; Q40-R44 PolarHBondContact O-N 3.03Å; Q40-R44 VanDerWaalsContact O-N 3.07Å; Q40-P70 PolarHBondContact NE2-O 3.11Å; Q40-P70 PolarHBondContact OE1-O 3.47Å; Q40-R71 VanDerWaalsContact OE1-CB 3.23Å; Q40-R71 VanDerWaalsContact OE1-CG 3.22Å |
| 41 | C | 94.8 | Very high | 94.2 | Very high | 12 Ų | 12 | 17.9 Ų | 17.9 | 8% | 0.081 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.7 | -39.3 | 178.5 | -73.2 | 0 | 0 | 0 | 0 | 112.8 | A37 L38 S39 R44 R45 W428 A432 | A37-C41 PolarHBondContact O-N 3.38Å; L38-C41 PolarHBondContact O-N 2.95Å; S39-C41 VanDerWaalsContact C-N 3.35Å; S39-C41 PolarHBondContact O-N 3.1Å; C41-R44 PolarHBondContact O-N 3.26Å; C41-R45 VanDerWaalsContact O-CG 3.26Å; C41-R45 WeakPolarHBondContact O-CG 3.22Å; C41-R45 PolarHBondContact O-N 3.31Å; C41-R45 VanDerWaalsContact O-N 3.11Å; C41-W428 WeakPolarHBondContact SG-CB 3.45Å; C41-A432 HydrophobicContact CB-CB 3.55Å |
| 42 | L | 94.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.2 | -38.6 | 175.8 | -72.4 | 169.3 | 0 | 0 | 0 | 112.2 | I17 M19 L38 S39 R45 G46 H47 V49 A432 E436 Y439 | I17-L42 HydrophobicContact CD1-CD1 4.28Å; M19-L42 HydrophobicContact CE-CD1 3.29Å; L38-L42 HydrophobicContact CD1-CD1 3.96Å; L38-L42 HydrophobicContact CD1-CG 4.07Å; L38-L42 HydrophobicContact CG-CD1 3.83Å; L38-L42 HydrophobicContact CG-CG 4.39Å; L38-L42 WeakPolarHBondContact O-CB 3.48Å; L38-L42 WeakPolarHBondContact O-CG 3.36Å; L38-L42 PolarHBondContact O-N 2.89Å; S39-L42 PolarHBondContact O-N 2.94Å; L42-R45 CarbonylContact O-C 3.52Å; L42-R45 PolarHBondContact O-N 2.82Å; L42-G46 PolarHBondContact O-N 2.72Å; L42-H47 HydrophobicContact CB-CB 4.35Å; L42-H47 WeakPolarHBondContact O-CB 3.17Å; L42-H47 PolarHBondContact O-N 2.93Å; L42-V49 HydrophobicContact CB-CG2 3.7Å; L42-A432 HydrophobicContact CD2-CB 4.21Å; L42-A432 HydrophobicContact CG-CB 4.33Å; L42-E436 HydrophobicContact CD2-CG 3.87Å; L42-Y439 HydrophobicContact CD1-CE2 3.88Å; L42-Y439 HydrophobicContact CD2-CE2 3.93Å |
| 43 | I | 93.1 | Very high | 94.7 | Very high | 12 Ų | 12 | 15.5 Ų | 15.5 | 6% | 0.062 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.7 | -46.1 | 173 | -71.7 | 167.8 | 0 | 0 | 0 | 110.9 | S39 Q40 R45 G46 H47 V49 L73 T499 | S39-I43 VanDerWaalsContact O-CG1 3.28Å; S39-I43 WeakPolarHBondContact O-CG1 3.45Å; S39-I43 PolarHBondContact O-N 2.9Å; Q40-I43 PolarHBondContact O-N 2.95Å; I43-R45 PolarHBondContact O-N 3.21Å; I43-G46 WeakPolarHBondContact O-CA 3.33Å; I43-G46 PolarHBondContact O-N 2.75Å; I43-H47 WeakPolarHBondContact CA-O 3.42Å; I43-V49 HydrophobicContact CD1-CB 4.2Å; I43-V49 HydrophobicContact CG1-CB 3.86Å; I43-V49 HydrophobicContact CG1-CG2 3.88Å; I43-L73 HydrophobicContact CD1-CB 3.92Å; I43-L73 HydrophobicContact CD1-CD1 3.92Å; I43-L73 HydrophobicContact CD1-CG 4.48Å; I43-T499 HydrophobicContact CG2-CG2 4.15Å |
| 44 | R | 89.7 | Confident | 94.9 | Very high | 27 Ų | 27 | 13.4 Ų | 13.4 | 10% | 0.102 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.1 | -31.1 | 177.2 | -71.3 | 169.2 | 62.6 | 83.6 | 5.2 | 112.7 | Q40 C41 G46 E502 F504 | Q40-R44 VanDerWaalsContact O-CG 3.29Å; Q40-R44 WeakPolarHBondContact O-CG 3.34Å; Q40-R44 PolarHBondContact O-N 3.03Å; Q40-R44 VanDerWaalsContact O-N 3.07Å; C41-R44 PolarHBondContact O-N 3.26Å; R44-G46 PolarHBondContact O-N 2.87Å; R44-E502 IonicContact CZ-OE1 2.81Å; R44-E502 IonicContact CZ-OE2 2.66Å; R44-E502 IonicContact NH1-OE1 2.68Å; R44-E502 PolarHBondContact NH1-OE1 2.87Å; R44-E502 IonicContact NH1-OE2 3.55Å; R44-E502 PolarHBondContact NH1-OE2 2.87Å; R44-E502 VanDerWaalsContact NH2-CB 3.3Å; R44-E502 IonicContact NH2-OE2 3.34Å; R44-E502 PolarHBondContact NH2-OE2 2.86Å; R44-E502 PolarHBondContact O-N 3.41Å; R44-F504 HydrophobicContact CB-CE2 4.49Å |
| 45 | R | 89.1 | Confident | 94.8 | Very high | 57 Ų | 57 | 13.8 Ų | 13.8 | 22% | 0.215 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -0.1 | 175.1 | -64.8 | 178.3 | 69.4 | 75.9 | 7.8 | 112.2 | R14 C41 L42 I43 E436 | R14-R45 PolarHBondContact NE-O 2.88Å; R14-R45 VanDerWaalsContact NE-O 3.17Å; R14-R45 PolarHBondContact NH1-O 3.14Å; R14-R45 PolarHBondContact NH2-O 2.88Å; R14-R45 VanDerWaalsContact NH2-O 3.11Å; C41-R45 VanDerWaalsContact O-CG 3.26Å; C41-R45 WeakPolarHBondContact O-CG 3.22Å; C41-R45 PolarHBondContact O-N 3.31Å; C41-R45 VanDerWaalsContact O-N 3.11Å; L42-R45 CarbonylContact O-C 3.52Å; L42-R45 PolarHBondContact O-N 2.82Å; I43-R45 PolarHBondContact O-N 3.21Å; R45-E436 WeakPolarHBondContact CB-OE1 3.23Å; R45-E436 WeakPolarHBondContact CD-OE1 3.44Å; R45-E436 IonicContact CZ-OE1 3.51Å; R45-E436 IonicContact CZ-OE2 3.59Å; R45-E436 VanDerWaalsContact CZ-OE2 3.25Å; R45-E436 IonicContact NE-OE1 2.73Å; R45-E436 PolarHBondContact NE-OE1 2.95Å; R45-E436 IonicContact NE-OE2 2.72Å; R45-E436 PolarHBondContact NE-OE2 3.14Å; R45-E436 IonicContact NH2-OE1 3.23Å; R45-E436 IonicContact NH2-OE2 3.65Å; R45-E436 PolarHBondContact NH2-OE2 3.34Å |
| 46 | G | 89.8 | Confident | 94.5 | Very high | 20 Ų | 20 | 14.2 Ų | 14.2 | 21% | 0.206 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | 11.1 | 173 | 0 | 0 | 0 | 0 | 0 | 114.6 | L42 I43 R44 | L42-G46 PolarHBondContact O-N 2.72Å; I43-G46 WeakPolarHBondContact O-CA 3.33Å; I43-G46 PolarHBondContact O-N 2.75Å; R44-G46 PolarHBondContact O-N 2.87Å |
| 47 | H | 92.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 14.2 Ų | 14.2 | 1% | 0.009 | 8% | 0.078 | C | C | . | . | trans | -78.7 | 146.4 | 168.5 | -63.6 | -88.8 | 0 | 0 | 0 | 109.9 | G13 F15 I17 L42 I43 V49 E436 | G13-H47 PolarHBondContact O-CE1 3.44Å; F15-H47 AromaticContact CD2-CE1 3.56Å; F15-H47 AromaticContact CD2-ND1 3.73Å; F15-H47 PolarHBondContact N-ND1 3.07Å; F15-H47 VanDerWaalsContact N-ND1 3.12Å; I17-H47 HydrophobicContact CD1-CB 3.91Å; L42-H47 HydrophobicContact CB-CB 4.35Å; L42-H47 WeakPolarHBondContact O-CB 3.17Å; L42-H47 PolarHBondContact O-N 2.93Å; I43-H47 WeakPolarHBondContact CA-O 3.42Å; H47-V49 HydrophobicContact CB-CG2 4.22Å; H47-E436 IonicContact CD2-OE1 3.57Å; H47-E436 PolarHBondContact CD2-OE1 3.23Å; H47-E436 VanDerWaalsContact CD2-OE1 3.23Å; H47-E436 VanDerWaalsContact NE2-CD 3.33Å; H47-E436 IonicContact NE2-OE1 2.7Å; H47-E436 PolarHBondContact NE2-OE1 3.39Å | ||
| 48 | R | 92.7 | Very high | 92 | Very high | 50 Ų | 50 | 18.1 Ų | 18.1 | 19% | 0.189 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 122.3 | 168.1 | -179.7 | -175.5 | -176.9 | 147.2 | -0.6 | 107.6 | F15 N16 I17 E106 M494 P495 | F15-R48 PolarHBondContact O-N 2.84Å; F15-R48 VanDerWaalsContact O-N 3.09Å; N16-R48 WeakPolarHBondContact CA-O 3.3Å; N16-R48 VanDerWaalsContact OD1-CB 3.3Å; N16-R48 WeakPolarHBondContact OD1-CB 3.31Å; N16-R48 WeakPolarHBondContact OD1-CD 3.25Å; I17-R48 PolarHBondContact N-O 3.05Å; R48-E106 IonicContact CZ-OE2 3.23Å; R48-E106 VanDerWaalsContact CZ-OE2 3.28Å; R48-E106 IonicContact NE-OE2 2.93Å; R48-E106 PolarHBondContact NE-OE2 3.23Å; R48-E106 IonicContact NH2-OE1 3.18Å; R48-E106 IonicContact NH2-OE2 3.25Å; R48-E106 PolarHBondContact NH2-OE2 3.29Å; R48-M494 PolarHBondContact NH1-O 3.21Å; R48-M494 VanDerWaalsContact NH2-CB 3.32Å; R48-M494 PolarHBondContact NH2-O 3.08Å; R48-M494 VanDerWaalsContact NH2-O 3.16Å; R48-P495 PolarHBondContact NH1-O 3.28Å |
| 49 | V | 96.1 | Very high | 90.2 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 4% | 0.036 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.2 | -178.7 | -169.7 | 0 | 0 | 0 | 0 | 110 | I17 M19 L42 I43 H47 L73 | I17-V49 WeakPolarHBondContact O-CA 3.35Å; M19-V49 HydrophobicContact CE-CG1 4.12Å; M19-V49 HydrophobicContact CG-CG1 3.82Å; L42-V49 HydrophobicContact CB-CG2 3.7Å; I43-V49 HydrophobicContact CD1-CB 4.2Å; I43-V49 HydrophobicContact CG1-CB 3.86Å; I43-V49 HydrophobicContact CG1-CG2 3.88Å; H47-V49 HydrophobicContact CB-CG2 4.22Å; V49-L73 HydrophobicContact CB-CD1 4.28Å; V49-L73 HydrophobicContact CG1-CD1 4.14Å; V49-L73 WeakPolarHBondContact O-CD1 3.29Å |
| 50 | I | 97.4 | Very high | 88.1 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 161 | 169 | 71.5 | 173.9 | 0 | 0 | 0 | 109.6 | I17 A18 M19 I52 K74 Y76 I102 E106 I108 | I17-I50 PolarHBondContact O-N 3.39Å; A18-I50 HydrophobicContact CB-CD1 4.07Å; A18-I50 HydrophobicContact CB-CG1 3.8Å; M19-I50 PolarHBondContact N-O 3.45Å; I50-I52 HydrophobicContact CD1-CG1 4.36Å; I50-K74 CarbonylContact C-O 3.47Å; I50-K74 VanDerWaalsContact CA-O 3.26Å; I50-K74 WeakPolarHBondContact CA-O 3.39Å; I50-K74 HydrophobicContact CG2-CB 4.09Å; I50-K74 HydrophobicContact CG2-CD 4.45Å; I50-Y76 HydrophobicContact CD1-CD2 4.01Å; I50-Y76 HydrophobicContact CD1-CE2 3.89Å; I50-I102 HydrophobicContact CD1-CG2 3.69Å; I50-E106 HydrophobicContact CD1-CB 3.95Å; I50-E106 HydrophobicContact CD1-CG 3.72Å; I50-I108 HydrophobicContact CD1-CD1 3.77Å; I50-I108 HydrophobicContact CD1-CG1 4.36Å; I50-I108 HydrophobicContact CG1-CD1 4.09Å |
| 51 | I | 98.4 | Very high | 86.6 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 139 | 168.5 | -59 | 172.6 | 0 | 0 | 0 | 109.2 | M19 I35 L73 K74 V75 Y76 | M19-I51 HydrophobicContact CB-CG1 4.13Å; M19-I51 CarbonylContact O-C 3.55Å; M19-I51 VanDerWaalsContact O-CA 3.25Å; M19-I51 WeakPolarHBondContact O-CA 3.34Å; I35-I51 HydrophobicContact CG2-CD1 3.7Å; I35-I51 HydrophobicContact CG2-CG1 4.01Å; I51-L73 HydrophobicContact CD1-CD1 4.36Å; I51-L73 HydrophobicContact CD1-CD2 3.8Å; I51-L73 HydrophobicContact CD1-CG 4.2Å; I51-L73 HydrophobicContact CG1-CD1 4.18Å; I51-L73 HydrophobicContact CG1-CG 4.49Å; I51-K74 PolarHBondContact N-O 2.9Å; I51-V75 HydrophobicContact CB-CB 4.45Å; I51-V75 HydrophobicContact CB-CG1 4.07Å; I51-V75 HydrophobicContact CB-CG2 4.16Å; I51-V75 HydrophobicContact CD1-CG2 4.24Å; I51-V75 HydrophobicContact CG2-CG1 4.21Å; I51-V75 CarbonylContact O-C 3.55Å; I51-V75 WeakPolarHBondContact O-CA 3.46Å; I51-Y76 PolarHBondContact O-N 3.07Å |
| 52 | I | 98.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 122.6 | 167.5 | -51.8 | 176 | 0 | 0 | 0 | 108 | A18 M19 V20 S21 I50 I78 I102 | A18-I52 HydrophobicContact CB-CD1 4.09Å; A18-I52 HydrophobicContact CB-CG1 4.48Å; M19-I52 PolarHBondContact O-N 2.77Å; V20-I52 WeakPolarHBondContact CA-O 3.47Å; V20-I52 HydrophobicContact CG1-CB 4.29Å; V20-I52 HydrophobicContact CG2-CB 4.12Å; V20-I52 HydrophobicContact CG2-CD1 4.24Å; V20-I52 HydrophobicContact CG2-CG1 4.42Å; S21-I52 PolarHBondContact N-O 3.37Å; I50-I52 HydrophobicContact CD1-CG1 4.36Å; I52-I78 HydrophobicContact CG2-CG2 3.97Å; I52-I102 HydrophobicContact CD1-CB 4.24Å; I52-I102 HydrophobicContact CD1-CD1 4.3Å; I52-I102 HydrophobicContact CD1-CG2 3.66Å; I52-I102 HydrophobicContact CG1-CD1 4.44Å; I52-I102 HydrophobicContact CG1-CG2 4.12Å; I52-I102 HydrophobicContact CG2-CD1 4.23Å |
| 53 | T | 97.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 167.2 | -179.7 | -166.4 | 0 | 0 | 0 | 0 | 110.3 | S21 D22 C24 Y56 V75 Y76 Y77 I78 | S21-T53 WeakPolarHBondContact O-CA 3.45Å; S21-T53 VanDerWaalsContact O-CB 3.24Å; S21-T53 WeakPolarHBondContact O-CB 3.49Å; S21-T53 PolarHBondContact O-OG1 2.86Å; D22-T53 PolarHBondContact O-OG1 2.81Å; C24-T53 HydrophobicContact CB-CG2 3.81Å; C24-T53 WeakPolarHBondContact CB-OG1 3.49Å; T53-Y56 HydrophobicContact CG2-CE2 4.41Å; T53-V75 HydrophobicContact CG2-CG1 3.97Å; T53-Y76 PolarHBondContact N-O 2.75Å; T53-Y77 HydrophobicContact CG2-CD1 3.48Å; T53-Y77 VanDerWaalsContact CG2-CD1 3.48Å; T53-Y77 HydrophobicContact CG2-CE1 3.6Å; T53-Y77 HydrophobicContact CG2-CG 4.2Å; T53-Y77 CarbonylContact O-C 3.52Å; T53-Y77 WeakPolarHBondContact O-CA 3.43Å; T53-I78 WeakPolarHBondContact O-CG1 3.35Å; T53-I78 PolarHBondContact O-N 3.18Å |
| 54 | H | 95.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 166.3 | 178.5 | 69.6 | 68.9 | 0 | 0 | 0 | 112.3 | D22 Y56 Y77 I80 Q86 I88 | D22-H54 PolarHBondContact O-NE2 3.2Å; D22-H54 IonicContact OD1-CD2 2.87Å; D22-H54 PolarHBondContact OD1-CD2 3.25Å; H54-Y56 AromaticContact CE1-CE1 3.58Å; H54-Y56 AromaticContact CE1-CZ 3.66Å; H54-Y56 WeakPolarHBondContact O-CE2 3.28Å; H54-Y77 WeakPolarHBondContact O-CD1 3.38Å; H54-I80 WeakPolarHBondContact CB-O 3.04Å; H54-Q86 PolarHBondContact NE2-O 3.32Å; H54-I88 HydrophobicContact CB-CG2 3.55Å |
| 55 | S | 93.5 | Very high | 85.6 | Confident | 13 Ų | 13 | 44.8 Ų | 44.8 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | trans | -73.8 | 150.4 | 176 | 66 | 0 | 0 | 0 | 0 | 111.7 | R63 I78 I80 P82 | S55-R63 CarbonylContact C-O 3.55Å; S55-R63 WeakPolarHBondContact CA-O 3.49Å; S55-I78 WeakPolarHBondContact CB-O 3.5Å; S55-I78 PolarHBondContact N-O 2.89Å; S55-I80 PolarHBondContact N-O 2.96Å; S55-I80 PolarHBondContact OG-O 3.34Å; S55-P82 WeakPolarHBondContact O-CD 3.43Å | ||
| 56 | Y | 90.3 | Very high | 85.9 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 4% | 0.043 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -110.9 | 115.7 | 175.4 | -66.3 | -92.6 | 0 | 0 | 0 | 109.4 | D22 C24 P26 N27 T53 H54 Q62 R63 Y77 | D22-Y56 PolarHBondContact O-OH 3.12Å; C24-Y56 PolarHBondContact N-OH 2.76Å; C24-Y56 PolarHBondContact O-OH 2.84Å; C24-Y56 VanDerWaalsContact O-OH 3.11Å; P26-Y56 HydrophobicContact CG-CD1 4.43Å; P26-Y56 HydrophobicContact CG-CG 4.2Å; N27-Y56 VanDerWaalsContact ND2-CE1 3.31Å; N27-Y56 WeakPolarHBondContact ND2-CE1 3.39Å; T53-Y56 HydrophobicContact CG2-CE2 4.41Å; H54-Y56 AromaticContact CE1-CE1 3.58Å; H54-Y56 AromaticContact CE1-CZ 3.66Å; H54-Y56 WeakPolarHBondContact O-CE2 3.28Å; Y56-Q62 WeakPolarHBondContact O-CA 3.42Å; Y56-R63 HydrophobicContact CD2-CB 4.09Å; Y56-R63 PolarHBondContact N-O 2.58Å; Y56-R63 PolarHBondContact O-N 2.98Å; Y56-R63 VanDerWaalsContact O-N 3.14Å; Y56-Y77 AromaticContact CD2-CD1 3.83Å; Y56-Y77 HydrophobicContact CD2-CD1 3.83Å; Y56-Y77 AromaticContact CD2-CE1 3.76Å; Y56-Y77 HydrophobicContact CD2-CE1 3.76Å; Y56-Y77 HydrophobicContact CE2-CD1 4Å; Y56-Y77 AromaticContact CE2-CE1 3.75Å; Y56-Y77 HydrophobicContact CE2-CE1 3.75Å |
| 57 | S | 76.6 | Confident | 86.1 | Confident | 48 Ų | 48 | 49.2 Ų | 49.2 | 34% | 0.336 | 27% | 0.272 | S | S | . | . | trans | -105.6 | 122.8 | 174.2 | 52.4 | 0 | 0 | 0 | 0 | 110.5 | E59 Q81 | S57-E59 PolarHBondContact O-N 3.32Å; S57-Q81 PolarHBondContact OG-NE2 3.17Å | ||
| 58 | S | 62.5 | Low | 86.1 | Confident | 99 Ų | 99 | 55 Ų | 55 | 69% | 0.692 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 87.4 | -46.2 | 157.9 | -47.7 | 0 | 0 | 0 | 0 | 119.4 | ||
| 59 | E | 59 | Low | 86.1 | Confident | 177 Ų | 177 | 54.3 Ų | 54.3 | 83% | 0.827 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -87.2 | -23.5 | -170.2 | -70.5 | -175.3 | 165.6 | 0 | 0 | 116 | S57 | S57-E59 PolarHBondContact O-N 3.32Š|
| 60 | G | 54.5 | Low | 85.8 | Confident | 43 Ų | 43 | 57.9 Ų | 57.9 | 44% | 0.443 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -126.9 | 17.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 61 | G | 63.6 | Low | 85 | Confident | 38 Ų | 38 | 64 Ų | 64 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | trans | 86 | 134.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R63 | G61-R63 PolarHBondContact O-N 3.33Š| ||
| 62 | Q | 77.8 | Confident | 84.5 | Confident | 126 Ų | 126 | 66.1 Ų | 66.1 | 59% | 0.589 | 36% | 0.363 | S | S | * | . | trans | -61.4 | 123.3 | -175.9 | -68.2 | -161.7 | -19.4 | 0 | 0 | 111.2 | Y56 | Y56-Q62 WeakPolarHBondContact O-CA 3.42Š| ||
| 63 | R | 87.4 | Confident | 84.2 | Confident | 98 Ų | 98 | 66.1 Ų | 66.1 | 37% | 0.37 | 36% | 0.363 | S | S | . | . | B | Isolated β-bridge | trans | -123.1 | 113.8 | 171.6 | -66.5 | -68.6 | -170.7 | -89.1 | -1.8 | 108.7 | P26 S55 Y56 G61 Y77 | P26-R63 HydrophobicContact CG-CG 4Å; S55-R63 CarbonylContact C-O 3.55Å; S55-R63 WeakPolarHBondContact CA-O 3.49Å; Y56-R63 HydrophobicContact CD2-CB 4.09Å; Y56-R63 PolarHBondContact N-O 2.58Å; Y56-R63 PolarHBondContact O-N 2.98Å; Y56-R63 VanDerWaalsContact O-N 3.14Å; G61-R63 PolarHBondContact O-N 3.33Å; R63-Y77 HydrophobicContact CB-CD1 3.71Å; R63-Y77 HydrophobicContact CB-CD2 4.35Å; R63-Y77 HydrophobicContact CB-CE1 3.63Å; R63-Y77 HydrophobicContact CB-CE2 4.26Å; R63-Y77 HydrophobicContact CB-CG 4.08Å; R63-Y77 HydrophobicContact CG-CE1 4.24Å |
| 64 | Q | 92.3 | Very high | 84.1 | Confident | 111 Ų | 111 | 66.9 Ų | 66.9 | 52% | 0.519 | 37% | 0.367 | S | S | . | . | trans | -149.4 | 154 | -178.2 | 63.4 | 177.3 | 1.7 | 0 | 0 | 110.9 | R67 | Q64-R67 PolarHBondContact O-NH1 3.21Å; Q64-R67 PolarHBondContact O-NH2 2.69Å | ||
| 65 | G | 94 | Very high | 84.2 | Confident | 38 Ų | 38 | 66.9 Ų | 66.9 | 39% | 0.392 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 69.2 | -149.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y77 | G65-Y77 PolarHBondContact N-O 3.38Å; G65-Y77 WeakPolarHBondContact O-CB 3.48Å; G65-Y77 PolarHBondContact O-N 2.91Å |
| 66 | V | 94.8 | Very high | 84.4 | Confident | 57 Ų | 57 | 67.2 Ų | 67.2 | 35% | 0.345 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 131.5 | -178.1 | -179.4 | 0 | 0 | 0 | 0 | 110.4 | Y68 K74 V75 Y76 | V66-Y68 HydrophobicContact CG1-CE2 4.17Å; V66-K74 HydrophobicContact CG1-CD 4.24Å; V66-K74 HydrophobicContact CG1-CG 3.9Å; V66-V75 WeakPolarHBondContact CA-O 3.48Å; V66-Y76 HydrophobicContact CG2-CD1 3.73Å; V66-Y76 HydrophobicContact CG2-CE1 3.59Å |
| 67 | R | 94.3 | Very high | 84.7 | Confident | 112 Ų | 112 | 67 Ų | 67 | 42% | 0.423 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 167.5 | 173.9 | -60.5 | -67.6 | -178.7 | -89.8 | -0.9 | 110.3 | Q64 V75 Y77 | Q64-R67 PolarHBondContact O-NH1 3.21Å; Q64-R67 PolarHBondContact O-NH2 2.69Å; R67-V75 PolarHBondContact N-O 2.96Å; R67-V75 PolarHBondContact O-N 3.06Å; R67-Y77 HydrophobicContact CB-CD2 4.21Å; R67-Y77 HydrophobicContact CB-CE2 3.85Å; R67-Y77 HydrophobicContact CG-CD2 3.94Å; R67-Y77 HydrophobicContact CG-CE2 3.88Å |
| 68 | Y | 93.1 | Very high | 85.7 | Confident | 123 Ų | 123 | 64.8 Ų | 64.8 | 48% | 0.482 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 130 | 177.9 | -68.1 | -93.3 | 0 | 0 | 0 | 109.6 | V66 L73 K74 | V66-Y68 HydrophobicContact CG1-CE2 4.17Å; Y68-L73 WeakPolarHBondContact CA-O 3.44Å; Y68-K74 HydrophobicContact CD1-CB 4.1Å; Y68-K74 HydrophobicContact CD1-CG 4.42Å; Y68-K74 HydrophobicContact CE1-CB 3.79Å; Y68-K74 HydrophobicContact CE1-CD 4.21Å; Y68-K74 HydrophobicContact CE1-CG 3.86Å |
| 69 | L | 92.1 | Very high | 87.2 | Confident | 36 Ų | 36 | 65.3 Ų | 65.3 | 19% | 0.188 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 173.8 | 168.8 | -65 | -176.8 | 0 | 0 | 0 | 109.2 | Y25 F36 G72 L73 V75 | Y25-L69 HydrophobicContact CD2-CD1 4.23Å; F36-L69 HydrophobicContact CD2-CD1 4.07Å; F36-L69 HydrophobicContact CE2-CB 4.21Å; F36-L69 HydrophobicContact CE2-CD1 4.36Å; L69-G72 PolarHBondContact O-N 3.46Å; L69-L73 HydrophobicContact CB-CB 4.18Å; L69-L73 HydrophobicContact CB-CD2 4.44Å; L69-L73 HydrophobicContact CB-CG 4.48Å; L69-L73 HydrophobicContact CD1-CD2 4.35Å; L69-L73 PolarHBondContact N-O 3.26Å; L69-L73 PolarHBondContact O-N 3.33Å; L69-V75 HydrophobicContact CD1-CG2 3.7Å; L69-V75 HydrophobicContact CG-CG2 3.75Å |
| 70 | P | 88.7 | Confident | 88.7 | Confident | 82 Ų | 82 | 58.7 Ų | 58.7 | 53% | 0.532 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -47.2 | 149.1 | 178.1 | -32.4 | 37.6 | 0 | 0 | 0 | 114.1 | F36 Q40 G72 L73 | F36-P70 HydrophobicContact CZ-CB 4.4Å; F36-P70 HydrophobicContact CZ-CG 4.33Å; Q40-P70 PolarHBondContact NE2-O 3.11Å; Q40-P70 PolarHBondContact OE1-O 3.47Å; P70-G72 PolarHBondContact O-N 3.19Å; P70-L73 PolarHBondContact O-N 3.03Å |
| 71 | R | 81.6 | Confident | 90.4 | Very high | 130 Ų | 130 | 62.7 Ų | 62.7 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | 58.4 | 22.7 | -173.6 | -51.8 | -172.2 | 168.3 | -111.4 | -1.2 | 115.2 | Q40 L73 E502 | Q40-R71 VanDerWaalsContact OE1-CB 3.23Å; Q40-R71 VanDerWaalsContact OE1-CG 3.22Å; R71-L73 VanDerWaalsContact C-N 3.3Å; R71-L73 PolarHBondContact O-N 3.39Å; R71-E502 IonicContact CZ-OE1 3.5Å; R71-E502 IonicContact NH1-OE1 2.69Å; R71-E502 PolarHBondContact NH1-OE1 3.39Å; R71-E502 IonicContact NH2-OE1 2.91Å |
| 72 | G | 86.8 | Confident | 91.6 | Very high | 46 Ų | 46 | 62.6 Ų | 62.6 | 47% | 0.474 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | 76.7 | 16.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | L69 P70 K74 | L69-G72 PolarHBondContact O-N 3.46Å; P70-G72 PolarHBondContact O-N 3.19Å; G72-K74 PolarHBondContact O-N 2.95Å |
| 73 | L | 93.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 106.9 | 173.5 | 175.2 | 60 | 0 | 0 | 0 | 109.6 | F36 I43 V49 I51 Y68 L69 P70 R71 | F36-L73 HydrophobicContact CD2-CD2 3.9Å; F36-L73 HydrophobicContact CE2-CD2 4.3Å; I43-L73 HydrophobicContact CD1-CB 3.92Å; I43-L73 HydrophobicContact CD1-CD1 3.92Å; I43-L73 HydrophobicContact CD1-CG 4.48Å; V49-L73 HydrophobicContact CB-CD1 4.28Å; V49-L73 HydrophobicContact CG1-CD1 4.14Å; V49-L73 WeakPolarHBondContact O-CD1 3.29Å; I51-L73 HydrophobicContact CD1-CD1 4.36Å; I51-L73 HydrophobicContact CD1-CD2 3.8Å; I51-L73 HydrophobicContact CD1-CG 4.2Å; I51-L73 HydrophobicContact CG1-CD1 4.18Å; I51-L73 HydrophobicContact CG1-CG 4.49Å; Y68-L73 WeakPolarHBondContact CA-O 3.44Å; L69-L73 HydrophobicContact CB-CB 4.18Å; L69-L73 HydrophobicContact CB-CD2 4.44Å; L69-L73 HydrophobicContact CB-CG 4.48Å; L69-L73 HydrophobicContact CD1-CD2 4.35Å; L69-L73 PolarHBondContact N-O 3.26Å; L69-L73 PolarHBondContact O-N 3.33Å; P70-L73 PolarHBondContact O-N 3.03Å; R71-L73 VanDerWaalsContact C-N 3.3Å; R71-L73 PolarHBondContact O-N 3.39Å |
| 74 | K | 95.4 | Very high | 91.9 | Very high | 16 Ų | 16 | 66 Ų | 66 | 7% | 0.07 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 133.6 | -176.5 | -172.9 | 178.9 | -175.1 | 177.3 | 0 | 110.3 | I50 I51 V66 Y68 G72 Y76 E106 | I50-K74 CarbonylContact C-O 3.47Å; I50-K74 VanDerWaalsContact CA-O 3.26Å; I50-K74 WeakPolarHBondContact CA-O 3.39Å; I50-K74 HydrophobicContact CG2-CB 4.09Å; I50-K74 HydrophobicContact CG2-CD 4.45Å; I51-K74 PolarHBondContact N-O 2.9Å; V66-K74 HydrophobicContact CG1-CD 4.24Å; V66-K74 HydrophobicContact CG1-CG 3.9Å; Y68-K74 HydrophobicContact CD1-CB 4.1Å; Y68-K74 HydrophobicContact CD1-CG 4.42Å; Y68-K74 HydrophobicContact CE1-CB 3.79Å; Y68-K74 HydrophobicContact CE1-CD 4.21Å; Y68-K74 HydrophobicContact CE1-CG 3.86Å; G72-K74 PolarHBondContact O-N 2.95Å; K74-Y76 HydrophobicContact CD-CE2 3.92Å; K74-Y76 WeakPolarHBondContact CE-OH 3.3Å; K74-Y76 HydrophobicContact CG-CE2 4.26Å; K74-Y76 PolarHBondContact NZ-OH 2.83Å; K74-E106 WeakPolarHBondContact CE-OE1 3.4Å; K74-E106 IonicContact NZ-OE1 3.71Å; K74-E106 PolarHBondContact NZ-OE1 3.09Å |
| 75 | V | 97.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.3 | -179.9 | -171.8 | 0 | 0 | 0 | 0 | 109.8 | I51 T53 V66 R67 L69 Y77 | I51-V75 HydrophobicContact CB-CB 4.45Å; I51-V75 HydrophobicContact CB-CG1 4.07Å; I51-V75 HydrophobicContact CB-CG2 4.16Å; I51-V75 HydrophobicContact CD1-CG2 4.24Å; I51-V75 HydrophobicContact CG2-CG1 4.21Å; I51-V75 CarbonylContact O-C 3.55Å; I51-V75 WeakPolarHBondContact O-CA 3.46Å; T53-V75 HydrophobicContact CG2-CG1 3.97Å; V66-V75 WeakPolarHBondContact CA-O 3.48Å; R67-V75 PolarHBondContact N-O 2.96Å; R67-V75 PolarHBondContact O-N 3.06Å; L69-V75 HydrophobicContact CD1-CG2 3.7Å; L69-V75 HydrophobicContact CG-CG2 3.75Å; V75-Y77 HydrophobicContact CB-CD2 4.32Å; V75-Y77 HydrophobicContact CB-CE2 3.79Å; V75-Y77 HydrophobicContact CG1-CD2 3.87Å; V75-Y77 HydrophobicContact CG1-CE1 4.19Å; V75-Y77 HydrophobicContact CG1-CE2 3.44Å; V75-Y77 VanDerWaalsContact CG1-CE2 3.44Å; V75-Y77 HydrophobicContact CG1-CG 4.41Å |
| 76 | Y | 97.5 | Very high | 91.3 | Very high | 21 Ų | 21 | 69 Ų | 69 | 8% | 0.082 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 104.7 | 170.6 | -75.7 | -90.5 | 0 | 0 | 0 | 109.2 | I50 I51 T53 V66 K74 I78 I102 E106 | I50-Y76 HydrophobicContact CD1-CD2 4.01Å; I50-Y76 HydrophobicContact CD1-CE2 3.89Å; I51-Y76 PolarHBondContact O-N 3.07Å; T53-Y76 PolarHBondContact N-O 2.75Å; V66-Y76 HydrophobicContact CG2-CD1 3.73Å; V66-Y76 HydrophobicContact CG2-CE1 3.59Å; K74-Y76 HydrophobicContact CD-CE2 3.92Å; K74-Y76 WeakPolarHBondContact CE-OH 3.3Å; K74-Y76 HydrophobicContact CG-CE2 4.26Å; K74-Y76 PolarHBondContact NZ-OH 2.83Å; Y76-I78 PolarHBondContact O-N 3.03Å; Y76-I102 HydrophobicContact CD1-CD1 3.68Å; Y76-I102 HydrophobicContact CD1-CG1 3.76Å; Y76-I102 HydrophobicContact CD1-CG2 4.44Å; Y76-I102 HydrophobicContact CD2-CG2 3.89Å; Y76-I102 HydrophobicContact CE1-CD1 4.33Å; Y76-I102 HydrophobicContact CE1-CG1 3.89Å; Y76-I102 HydrophobicContact CE1-CG2 4.39Å; Y76-I102 HydrophobicContact CE2-CG2 3.82Å; Y76-I102 HydrophobicContact CG-CD1 3.8Å; Y76-I102 HydrophobicContact CG-CG1 4.16Å; Y76-I102 HydrophobicContact CG-CG2 4.21Å; Y76-E106 HydrophobicContact CE2-CG 3.9Å; Y76-E106 PolarHBondContact OH-OE1 3.17Å |
| 77 | Y | 96.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 67.1 Ų | 67.1 | 2% | 0.02 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 90.2 | 167.8 | -64.2 | -86.5 | 0 | 0 | 0 | 108.8 | Y25 T53 H54 Y56 R63 G65 R67 V75 | Y25-Y77 WeakPolarHBondContact O-CE1 3.25Å; Y25-Y77 PolarHBondContact O-OH 2.77Å; T53-Y77 HydrophobicContact CG2-CD1 3.48Å; T53-Y77 VanDerWaalsContact CG2-CD1 3.48Å; T53-Y77 HydrophobicContact CG2-CE1 3.6Å; T53-Y77 HydrophobicContact CG2-CG 4.2Å; T53-Y77 CarbonylContact O-C 3.52Å; T53-Y77 WeakPolarHBondContact O-CA 3.43Å; H54-Y77 WeakPolarHBondContact O-CD1 3.38Å; Y56-Y77 AromaticContact CD2-CD1 3.83Å; Y56-Y77 HydrophobicContact CD2-CD1 3.83Å; Y56-Y77 AromaticContact CD2-CE1 3.76Å; Y56-Y77 HydrophobicContact CD2-CE1 3.76Å; Y56-Y77 HydrophobicContact CE2-CD1 4Å; Y56-Y77 AromaticContact CE2-CE1 3.75Å; Y56-Y77 HydrophobicContact CE2-CE1 3.75Å; R63-Y77 HydrophobicContact CB-CD1 3.71Å; R63-Y77 HydrophobicContact CB-CD2 4.35Å; R63-Y77 HydrophobicContact CB-CE1 3.63Å; R63-Y77 HydrophobicContact CB-CE2 4.26Å; R63-Y77 HydrophobicContact CB-CG 4.08Å; R63-Y77 HydrophobicContact CG-CE1 4.24Å; G65-Y77 PolarHBondContact N-O 3.38Å; G65-Y77 WeakPolarHBondContact O-CB 3.48Å; G65-Y77 PolarHBondContact O-N 2.91Å; R67-Y77 HydrophobicContact CB-CD2 4.21Å; R67-Y77 HydrophobicContact CB-CE2 3.85Å; R67-Y77 HydrophobicContact CG-CD2 3.94Å; R67-Y77 HydrophobicContact CG-CE2 3.88Å; V75-Y77 HydrophobicContact CB-CD2 4.32Å; V75-Y77 HydrophobicContact CB-CE2 3.79Å; V75-Y77 HydrophobicContact CG1-CD2 3.87Å; V75-Y77 HydrophobicContact CG1-CE1 4.19Å; V75-Y77 HydrophobicContact CG1-CE2 3.44Å; V75-Y77 VanDerWaalsContact CG1-CE2 3.44Å; V75-Y77 HydrophobicContact CG1-CG 4.41Å |
| 78 | I | 96.3 | Very high | 90.9 | Very high | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.015 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 148.9 | -176.9 | 67.5 | 178.3 | 0 | 0 | 0 | 110.9 | I52 T53 S55 Y76 I80 I98 I102 L120 | I52-I78 HydrophobicContact CG2-CG2 3.97Å; T53-I78 WeakPolarHBondContact O-CG1 3.35Å; T53-I78 PolarHBondContact O-N 3.18Å; S55-I78 WeakPolarHBondContact CB-O 3.5Å; S55-I78 PolarHBondContact N-O 2.89Å; Y76-I78 PolarHBondContact O-N 3.03Å; I78-I80 HydrophobicContact CD1-CD1 3.71Å; I78-I80 HydrophobicContact CD1-CG1 4.18Å; I78-I80 HydrophobicContact CG1-CB 4.34Å; I78-I80 HydrophobicContact CG1-CD1 4.27Å; I78-I80 HydrophobicContact CG1-CG1 4.19Å; I78-I80 PolarHBondContact O-N 3.47Å; I78-I98 HydrophobicContact CB-CD1 3.82Å; I78-I98 HydrophobicContact CD1-CG2 4.37Å; I78-I98 HydrophobicContact CG2-CD1 3.74Å; I78-I98 HydrophobicContact CG2-CG1 4.06Å; I78-I98 HydrophobicContact CG2-CG2 4.42Å; I78-I102 HydrophobicContact CG2-CD1 3.9Å; I78-L120 HydrophobicContact CD1-CD1 3.71Å; I78-L120 HydrophobicContact CD1-CD2 4.3Å |
| 79 | P | 93.6 | Very high | 90.8 | Very high | 109 Ų | 109 | 62.1 Ų | 62.1 | 71% | 0.708 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -78.9 | 53.5 | -172.8 | 35.8 | -35.5 | 0 | 0 | 0 | 111.9 | I98 | P79-I98 VanDerWaalsContact CD-CD1 3.41Å; P79-I98 HydrophobicContact CG-CD1 4.24Å |
| 80 | I | 92.1 | Very high | 90.4 | Very high | 38 Ų | 38 | 65 Ų | 65 | 20% | 0.195 | 32% | 0.322 | C | S | . | . | trans | -118.9 | 136.5 | 172.2 | -56.1 | -178.8 | 0 | 0 | 0 | 106.3 | H54 S55 I78 I88 T95 | H54-I80 WeakPolarHBondContact CB-O 3.04Å; S55-I80 PolarHBondContact N-O 2.96Å; S55-I80 PolarHBondContact OG-O 3.34Å; I78-I80 HydrophobicContact CD1-CD1 3.71Å; I78-I80 HydrophobicContact CD1-CG1 4.18Å; I78-I80 HydrophobicContact CG1-CB 4.34Å; I78-I80 HydrophobicContact CG1-CD1 4.27Å; I78-I80 HydrophobicContact CG1-CG1 4.19Å; I78-I80 PolarHBondContact O-N 3.47Å; I80-I88 HydrophobicContact CB-CG2 4.31Å; I80-I88 HydrophobicContact CG2-CB 4.02Å; I80-I88 HydrophobicContact CG2-CG2 3.57Å; I80-T95 HydrophobicContact CD1-CG2 3.6Å | ||
| 81 | Q | 89.2 | Confident | 90.2 | Very high | 128 Ų | 128 | 63.7 Ų | 63.7 | 60% | 0.598 | 31% | 0.313 | S | S | * | . | trans | -94.1 | 147 | 178 | -70.3 | -175 | -44 | 0 | 0 | 110.5 | S57 | S57-Q81 PolarHBondContact OG-NE2 3.17Š| ||
| 82 | P | 89.1 | Confident | 90.1 | Very high | 35 Ų | 35 | 60.8 Ų | 60.8 | 23% | 0.227 | 31% | 0.31 | C | S | . | . | trans | -63.8 | 139.8 | 172.1 | 27.1 | -32.8 | 0 | 0 | 0 | 110.2 | S55 | S55-P82 WeakPolarHBondContact O-CD 3.43Š| ||
| 83 | F | 87.2 | Confident | 90.1 | Very high | 147 Ų | 147 | 60.3 Ų | 60.3 | 65% | 0.645 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -95.4 | -42.6 | 178.5 | 176.1 | -99.3 | 0 | 0 | 0 | 111.9 | S87 F89 | F83-S87 PolarHBondContact N-O 2.95Å; F83-F89 HydrophobicContact CB-CB 3.86Å; F83-F89 HydrophobicContact CD1-CB 4.45Å; F83-F89 AromaticContact CD1-CD2 3.73Å; F83-F89 HydrophobicContact CD1-CD2 3.73Å; F83-F89 HydrophobicContact CD2-CB 4.29Å; F83-F89 HydrophobicContact CD2-CD2 4.13Å; F83-F89 AromaticContact CE1-CD2 3.78Å; F83-F89 HydrophobicContact CE1-CD2 3.78Å; F83-F89 HydrophobicContact CE1-CE2 4.22Å; F83-F89 HydrophobicContact CE2-CD2 4.17Å; F83-F89 HydrophobicContact CG-CB 3.95Å; F83-F89 AromaticContact CG-CD2 3.91Å; F83-F89 HydrophobicContact CG-CD2 3.91Å; F83-F89 HydrophobicContact CG-CG 4.4Å; F83-F89 AromaticContact CZ-CD2 4Å; F83-F89 HydrophobicContact CZ-CD2 4Å; F83-F89 HydrophobicContact CZ-CE2 4.28Å |
| 84 | Y | 84.7 | Confident | 90 | Very high | 149 Ų | 149 | 62.5 Ų | 62.5 | 58% | 0.584 | 32% | 0.319 | S | S | * | . | B | Isolated β-bridge | trans | -148.7 | 130.2 | -177.7 | 179.7 | -108 | 0 | 0 | 0 | 111 | Q86 S87 | Y84-Q86 VanDerWaalsContact C-N 3.26Å; Y84-Q86 PolarHBondContact O-N 3.44Å; Y84-Q86 VanDerWaalsContact O-N 3.15Å; Y84-S87 PolarHBondContact N-O 2.99Å; Y84-S87 VanDerWaalsContact N-O 3.15Å; Y84-S87 WeakPolarHBondContact O-CB 3.45Å; Y84-S87 PolarHBondContact O-N 3.07Å |
| 85 | K | 84.4 | Confident | 90 | Very high | 157 Ų | 157 | 61.8 Ų | 61.8 | 68% | 0.683 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.2 | 45.3 | 177.7 | -68.1 | -174 | 175.5 | 173.4 | 0 | 114.3 | S87 | K85-S87 VanDerWaalsContact C-N 3.29Å; K85-S87 PolarHBondContact O-N 3.29Å |
| 86 | Q | 88.2 | Confident | 89.9 | Confident | 54 Ų | 54 | 61.8 Ų | 61.8 | 25% | 0.252 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 33.9 | -179.5 | -50.1 | -65.9 | -35.6 | 0 | 0 | 113.2 | N27 H54 Y84 | N27-Q86 WeakPolarHBondContact ND2-CG 3.33Å; H54-Q86 PolarHBondContact NE2-O 3.32Å; Y84-Q86 VanDerWaalsContact C-N 3.26Å; Y84-Q86 PolarHBondContact O-N 3.44Å; Y84-Q86 VanDerWaalsContact O-N 3.15Å |
| 87 | S | 90.1 | Very high | 89.9 | Confident | 18 Ų | 18 | 63.8 Ų | 63.8 | 13% | 0.126 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -127.4 | 140.3 | 170.5 | -54.4 | 0 | 0 | 0 | 0 | 109.5 | F83 Y84 K85 | F83-S87 PolarHBondContact N-O 2.95Å; Y84-S87 PolarHBondContact N-O 2.99Å; Y84-S87 VanDerWaalsContact N-O 3.15Å; Y84-S87 WeakPolarHBondContact O-CB 3.45Å; Y84-S87 PolarHBondContact O-N 3.07Å; K85-S87 VanDerWaalsContact C-N 3.29Å; K85-S87 PolarHBondContact O-N 3.29Å |
| 88 | I | 91.8 | Very high | 89.8 | Confident | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | trans | -66.5 | 161.2 | 176.3 | 67.8 | 173.1 | 0 | 0 | 0 | 111.3 | D22 H54 I80 T95 P119 L120 | D22-I88 WeakPolarHBondContact OD1-CG1 3.42Å; D22-I88 WeakPolarHBondContact OD1-CG2 3.39Å; D22-I88 PolarHBondContact OD1-N 2.8Å; H54-I88 HydrophobicContact CB-CG2 3.55Å; I80-I88 HydrophobicContact CB-CG2 4.31Å; I80-I88 HydrophobicContact CG2-CB 4.02Å; I80-I88 HydrophobicContact CG2-CG2 3.57Å; I88-T95 HydrophobicContact CD1-CG2 3.98Å; I88-P119 HydrophobicContact CG1-CB 3.98Å; I88-L120 HydrophobicContact CD1-CB 3.77Å; I88-L120 HydrophobicContact CD1-CD1 4.04Å; I88-L120 HydrophobicContact CD1-CG 4.44Å; I88-L120 HydrophobicContact CG1-CB 4.25Å | ||
| 89 | F | 90.1 | Very high | 89.9 | Confident | 125 Ų | 125 | 65.8 Ų | 65.8 | 55% | 0.548 | 34% | 0.342 | S | S | . | . | trans | -69.3 | 146.4 | 168.4 | -169.7 | -102.7 | 0 | 0 | 0 | 110 | F83 T91 | F83-F89 HydrophobicContact CB-CB 3.86Å; F83-F89 HydrophobicContact CD1-CB 4.45Å; F83-F89 AromaticContact CD1-CD2 3.73Å; F83-F89 HydrophobicContact CD1-CD2 3.73Å; F83-F89 HydrophobicContact CD2-CB 4.29Å; F83-F89 HydrophobicContact CD2-CD2 4.13Å; F83-F89 AromaticContact CE1-CD2 3.78Å; F83-F89 HydrophobicContact CE1-CD2 3.78Å; F83-F89 HydrophobicContact CE1-CE2 4.22Å; F83-F89 HydrophobicContact CE2-CD2 4.17Å; F83-F89 HydrophobicContact CG-CB 3.95Å; F83-F89 AromaticContact CG-CD2 3.91Å; F83-F89 HydrophobicContact CG-CD2 3.91Å; F83-F89 HydrophobicContact CG-CG 4.4Å; F83-F89 AromaticContact CZ-CD2 4Å; F83-F89 HydrophobicContact CZ-CD2 4Å; F83-F89 HydrophobicContact CZ-CE2 4.28Å; F89-T91 WeakPolarHBondContact O-CG2 3.28Å; F89-T91 PolarHBondContact O-N 2.88Å | ||
| 90 | I | 84.8 | Confident | 90.1 | Very high | 95 Ų | 95 | 60.7 Ų | 60.7 | 49% | 0.487 | 31% | 0.309 | S | S | . | . | trans | -67.5 | 108.6 | 174.3 | -60.2 | 168.4 | 0 | 0 | 0 | 107.9 | V92 P119 E123 | I90-V92 HydrophobicContact CG2-CG2 3.83Å; I90-P119 HydrophobicContact CG1-CB 4Å; I90-P119 HydrophobicContact CG1-CG 4.06Å; I90-E123 WeakPolarHBondContact CA-OE1 3.25Å | ||
| 91 | T | 84.2 | Confident | 90.3 | Very high | 55 Ų | 55 | 61.3 Ų | 61.3 | 34% | 0.337 | 31% | 0.31 | S | S | . | . | trans | -96.5 | -20.5 | 178.3 | 76.1 | 0 | 0 | 0 | 0 | 112.6 | F89 L93 G94 T95 E123 | F89-T91 WeakPolarHBondContact O-CG2 3.28Å; F89-T91 PolarHBondContact O-N 2.88Å; T91-L93 PolarHBondContact O-N 3.26Å; T91-G94 WeakPolarHBondContact OG1-CA 3.44Å; T91-G94 PolarHBondContact OG1-N 2.86Å; T91-T95 PolarHBondContact OG1-N 3.5Å; T91-E123 PolarHBondContact N-OE1 2.8Å; T91-E123 PolarHBondContact OG1-OE2 3.46Å | ||
| 92 | V | 78.7 | Confident | 90.7 | Very high | 70 Ų | 70 | 55.5 Ų | 55.5 | 42% | 0.424 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 62.3 | -42.9 | -173.2 | -173.8 | 0 | 0 | 0 | 0 | 114.1 | I90 E123 H127 | I90-V92 HydrophobicContact CG2-CG2 3.83Å; V92-E123 VanDerWaalsContact N-CD 3.27Å; V92-E123 PolarHBondContact N-OE1 2.91Å; V92-E123 PolarHBondContact N-OE2 2.98Å; V92-H127 PolarHBondContact O-CE1 3.28Å |
| 93 | L | 87.3 | Confident | 91 | Very high | 36 Ų | 36 | 54.2 Ų | 54.2 | 19% | 0.188 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -125 | -18.3 | -173.7 | -60.6 | -176.5 | 0 | 0 | 0 | 113.2 | T91 T95 L96 L474 H475 L478 | T91-L93 PolarHBondContact O-N 3.26Å; L93-T95 VanDerWaalsContact C-N 3.32Å; L93-T95 PolarHBondContact O-N 3.22Å; L93-L96 VanDerWaalsContact O-CB 3.26Å; L93-L96 WeakPolarHBondContact O-CB 3.46Å; L93-L96 PolarHBondContact O-N 3.02Å; L93-L96 VanDerWaalsContact O-N 3.14Å; L93-L474 HydrophobicContact CD1-CD2 3.83Å; L93-L474 HydrophobicContact CD1-CG 3.89Å; L93-H475 HydrophobicContact CD2-CB 3.65Å; L93-L478 HydrophobicContact CB-CD2 3.7Å; L93-L478 HydrophobicContact CD1-CD2 4.08Å; L93-L478 HydrophobicContact CD2-CD2 4.34Å; L93-L478 HydrophobicContact CG-CD2 4.25Å |
| 94 | G | 90.6 | Very high | 91.5 | Very high | 46 Ų | 46 | 48 Ų | 48 | 47% | 0.474 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -30.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T91 L96 P97 | T91-G94 WeakPolarHBondContact OG1-CA 3.44Å; T91-G94 PolarHBondContact OG1-N 2.86Å; G94-L96 VanDerWaalsContact C-N 3.33Å; G94-P97 WeakPolarHBondContact O-CD 3.5Å |
| 95 | T | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -11.2 | 176.3 | 58.9 | 0 | 0 | 0 | 0 | 114 | I80 I88 T91 L93 I98 I99 L120 E123 H127 | I80-T95 HydrophobicContact CD1-CG2 3.6Å; I88-T95 HydrophobicContact CD1-CG2 3.98Å; T91-T95 PolarHBondContact OG1-N 3.5Å; L93-T95 VanDerWaalsContact C-N 3.32Å; L93-T95 PolarHBondContact O-N 3.22Å; T95-I98 WeakPolarHBondContact O-CG2 3.39Å; T95-I98 PolarHBondContact O-N 3.03Å; T95-I99 WeakPolarHBondContact O-CB 3.47Å; T95-I99 WeakPolarHBondContact O-CG1 3.26Å; T95-I99 PolarHBondContact O-N 3.31Å; T95-L120 HydrophobicContact CG2-CD1 3.89Å; T95-E123 WeakPolarHBondContact OG1-CB 3.28Å; T95-E123 PolarHBondContact OG1-OE2 3.06Å; T95-H127 PolarHBondContact OG1-CD2 3.39Å; T95-H127 PolarHBondContact OG1-NE2 3.11Å |
| 96 | L | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.3 | -48 | -172.3 | -179.9 | 61 | 0 | 0 | 0 | 113.8 | L93 G94 I98 R100 H127 L478 L479 I482 | L93-L96 VanDerWaalsContact O-CB 3.26Å; L93-L96 WeakPolarHBondContact O-CB 3.46Å; L93-L96 PolarHBondContact O-N 3.02Å; L93-L96 VanDerWaalsContact O-N 3.14Å; G94-L96 VanDerWaalsContact C-N 3.33Å; L96-I98 VanDerWaalsContact C-N 3.34Å; L96-I98 PolarHBondContact O-N 3.24Å; L96-R100 VanDerWaalsContact O-CB 3.23Å; L96-R100 WeakPolarHBondContact O-CB 3.4Å; L96-R100 PolarHBondContact O-N 3.08Å; L96-H127 VanDerWaalsContact CA-CD2 3.43Å; L96-H127 WeakPolarHBondContact CA-CD2 3.35Å; L96-H127 VanDerWaalsContact CA-NE2 3.34Å; L96-H127 WeakPolarHBondContact CA-NE2 3.34Å; L96-H127 HydrophobicContact CD1-CB 3.94Å; L96-H127 PolarHBondContact N-NE2 3.02Å; L96-H127 VanDerWaalsContact N-NE2 3.12Å; L96-L478 HydrophobicContact CD2-CB 4.42Å; L96-L478 HydrophobicContact CD2-CD2 4.02Å; L96-L478 HydrophobicContact CD2-CG 4.08Å; L96-L479 HydrophobicContact CD1-CD1 4.43Å; L96-L479 HydrophobicContact CD2-CB 4.19Å; L96-I482 HydrophobicContact CB-CD1 4.4Å; L96-I482 HydrophobicContact CD2-CD1 3.88Å; L96-I482 HydrophobicContact CG-CD1 3.9Å |
| 97 | P | 96.2 | Very high | 92.8 | Very high | 63 Ų | 63 | 39 Ų | 39 | 41% | 0.409 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.1 | -44.9 | -177.7 | -21.8 | 31.6 | 0 | 0 | 0 | 112.6 | G94 E101 I482 | G94-P97 WeakPolarHBondContact O-CD 3.5Å; P97-E101 PolarHBondContact O-N 2.89Å; P97-E101 VanDerWaalsContact O-N 3.15Å; P97-I482 HydrophobicContact CB-CD1 4.24Å; P97-I482 HydrophobicContact CG-CD1 3.73Å; P97-I482 HydrophobicContact CG-CG1 4.46Å |
| 98 | I | 96.2 | Very high | 93.1 | Very high | 51 Ų | 51 | 38.6 Ų | 38.6 | 26% | 0.262 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -78.6 | -38.3 | -176 | -168.7 | 159.8 | 0 | 0 | 0 | 112.7 | I78 P79 T95 L96 R100 E101 I102 | I78-I98 HydrophobicContact CB-CD1 3.82Å; I78-I98 HydrophobicContact CD1-CG2 4.37Å; I78-I98 HydrophobicContact CG2-CD1 3.74Å; I78-I98 HydrophobicContact CG2-CG1 4.06Å; I78-I98 HydrophobicContact CG2-CG2 4.42Å; P79-I98 VanDerWaalsContact CD-CD1 3.41Å; P79-I98 HydrophobicContact CG-CD1 4.24Å; T95-I98 WeakPolarHBondContact O-CG2 3.39Å; T95-I98 PolarHBondContact O-N 3.03Å; L96-I98 VanDerWaalsContact C-N 3.34Å; L96-I98 PolarHBondContact O-N 3.24Å; I98-R100 VanDerWaalsContact C-N 3.33Å; I98-E101 PolarHBondContact O-N 3.06Å; I98-I102 HydrophobicContact CG1-CD1 4.09Å; I98-I102 WeakPolarHBondContact O-CG1 3.14Å; I98-I102 PolarHBondContact O-N 3.39Å |
| 99 | I | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 175.7 | -71.1 | -179.5 | 0 | 0 | 0 | 109.9 | T95 E101 I102 V103 I111 L120 A124 H127 | T95-I99 WeakPolarHBondContact O-CB 3.47Å; T95-I99 WeakPolarHBondContact O-CG1 3.26Å; T95-I99 PolarHBondContact O-N 3.31Å; I99-E101 PolarHBondContact O-N 2.95Å; I99-I102 PolarHBondContact O-N 2.9Å; I99-V103 HydrophobicContact CG2-CG2 4.1Å; I99-V103 WeakPolarHBondContact O-CB 3.31Å; I99-V103 VanDerWaalsContact O-CG2 3.23Å; I99-V103 WeakPolarHBondContact O-CG2 3.37Å; I99-V103 PolarHBondContact O-N 3.15Å; I99-I111 HydrophobicContact CG2-CD1 4.32Å; I99-L120 HydrophobicContact CD1-CD1 4.11Å; I99-A124 HydrophobicContact CD1-CB 3.82Å; I99-H127 HydrophobicContact CG2-CB 4.17Å |
| 100 | R | 97.2 | Very high | 93.6 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.2 | -48.3 | 173.5 | 174.6 | 177.9 | 177.7 | -83.5 | 1.8 | 111.8 | L96 I98 I102 V103 I104 L131 S483 R486 | L96-R100 VanDerWaalsContact O-CB 3.23Å; L96-R100 WeakPolarHBondContact O-CB 3.4Å; L96-R100 PolarHBondContact O-N 3.08Å; I98-R100 VanDerWaalsContact C-N 3.33Å; R100-I102 VanDerWaalsContact C-N 3.31Å; R100-I102 PolarHBondContact O-N 2.75Å; R100-V103 PolarHBondContact O-N 3.5Å; R100-I104 HydrophobicContact CG-CD1 3.63Å; R100-I104 HydrophobicContact CG-CG1 4.46Å; R100-I104 WeakPolarHBondContact O-CG1 3.44Å; R100-I104 PolarHBondContact O-N 2.87Å; R100-L131 HydrophobicContact CB-CD1 4.12Å; R100-L131 HydrophobicContact CB-CD2 4.17Å; R100-L131 HydrophobicContact CG-CD2 3.79Å; R100-S483 PolarHBondContact NE-OG 3.04Å; R100-S483 PolarHBondContact NH2-OG 3.32Å; R100-R486 PolarHBondContact NH1-O 3.3Å; R100-R486 PolarHBondContact NH2-O 3.39Å; R100-R486 VanDerWaalsContact NH2-O 3.1Å |
| 101 | E | 96.7 | Very high | 94.3 | Very high | 50 Ų | 50 | 29.7 Ų | 29.7 | 23% | 0.234 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.2 | -46.2 | 179.4 | -168.5 | 76.5 | -171 | 0 | 0 | 111.2 | P97 I98 I99 R105 I491 | P97-E101 PolarHBondContact O-N 2.89Å; P97-E101 VanDerWaalsContact O-N 3.15Å; I98-E101 PolarHBondContact O-N 3.06Å; I99-E101 PolarHBondContact O-N 2.95Å; E101-R105 WeakPolarHBondContact O-CB 3.44Å; E101-R105 PolarHBondContact O-N 3.23Å; E101-I491 VanDerWaalsContact OE2-CD1 3.27Å; E101-I491 WeakPolarHBondContact OE2-CD1 3.39Å; E101-I491 WeakPolarHBondContact OE2-CG1 3.44Å |
| 102 | I | 97.4 | Very high | 94.9 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 4% | 0.036 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.7 | -46 | 179.6 | -63.8 | 165.6 | 0 | 0 | 0 | 111 | I50 I52 Y76 I78 I98 I99 R100 I104 R105 E106 | I50-I102 HydrophobicContact CD1-CG2 3.69Å; I52-I102 HydrophobicContact CD1-CB 4.24Å; I52-I102 HydrophobicContact CD1-CD1 4.3Å; I52-I102 HydrophobicContact CD1-CG2 3.66Å; I52-I102 HydrophobicContact CG1-CD1 4.44Å; I52-I102 HydrophobicContact CG1-CG2 4.12Å; I52-I102 HydrophobicContact CG2-CD1 4.23Å; Y76-I102 HydrophobicContact CD1-CD1 3.68Å; Y76-I102 HydrophobicContact CD1-CG1 3.76Å; Y76-I102 HydrophobicContact CD1-CG2 4.44Å; Y76-I102 HydrophobicContact CD2-CG2 3.89Å; Y76-I102 HydrophobicContact CE1-CD1 4.33Å; Y76-I102 HydrophobicContact CE1-CG1 3.89Å; Y76-I102 HydrophobicContact CE1-CG2 4.39Å; Y76-I102 HydrophobicContact CE2-CG2 3.82Å; Y76-I102 HydrophobicContact CG-CD1 3.8Å; Y76-I102 HydrophobicContact CG-CG1 4.16Å; Y76-I102 HydrophobicContact CG-CG2 4.21Å; I78-I102 HydrophobicContact CG2-CD1 3.9Å; I98-I102 HydrophobicContact CG1-CD1 4.09Å; I98-I102 WeakPolarHBondContact O-CG1 3.14Å; I98-I102 PolarHBondContact O-N 3.39Å; I99-I102 PolarHBondContact O-N 2.9Å; R100-I102 VanDerWaalsContact C-N 3.31Å; R100-I102 PolarHBondContact O-N 2.75Å; I102-I104 VanDerWaalsContact C-N 3.33Å; I102-I104 PolarHBondContact O-N 3.11Å; I102-R105 PolarHBondContact O-N 2.85Å; I102-E106 HydrophobicContact CG2-CG 4.15Å; I102-E106 VanDerWaalsContact O-CB 3.26Å; I102-E106 WeakPolarHBondContact O-CB 3.48Å; I102-E106 WeakPolarHBondContact O-CG 3.41Å; I102-E106 PolarHBondContact O-N 2.92Å |
| 103 | V | 97 | Very high | 95.9 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.2 | -46.3 | -180 | 162 | 0 | 0 | 0 | 0 | 111.2 | I99 R100 Q107 I108 I111 L131 C133 | I99-V103 HydrophobicContact CG2-CG2 4.1Å; I99-V103 WeakPolarHBondContact O-CB 3.31Å; I99-V103 VanDerWaalsContact O-CG2 3.23Å; I99-V103 WeakPolarHBondContact O-CG2 3.37Å; I99-V103 PolarHBondContact O-N 3.15Å; R100-V103 PolarHBondContact O-N 3.5Å; V103-Q107 WeakPolarHBondContact O-CA 3.41Å; V103-Q107 PolarHBondContact O-N 3.15Å; V103-I108 HydrophobicContact CB-CB 4.5Å; V103-I108 HydrophobicContact CG1-CB 4.28Å; V103-I108 HydrophobicContact CG2-CB 4.38Å; V103-I108 HydrophobicContact CG2-CG1 4.48Å; V103-I108 PolarHBondContact O-N 3.12Å; V103-I111 HydrophobicContact CG2-CD1 3.85Å; V103-L131 HydrophobicContact CB-CD1 4.16Å; V103-L131 HydrophobicContact CG1-CB 4.41Å; V103-L131 HydrophobicContact CG1-CD1 4.07Å; V103-L131 HydrophobicContact CG2-CD1 4.23Å; V103-C133 WeakPolarHBondContact CG1-SG 3.39Å |
| 104 | I | 96.3 | Very high | 96.3 | Very high | 18 Ų | 18 | 22.1 Ų | 22.1 | 9% | 0.092 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70.4 | -49.7 | 179.3 | -65.3 | 167.3 | 0 | 0 | 0 | 110.3 | R100 I102 E106 Q107 E488 I491 I493 | R100-I104 HydrophobicContact CG-CD1 3.63Å; R100-I104 HydrophobicContact CG-CG1 4.46Å; R100-I104 WeakPolarHBondContact O-CG1 3.44Å; R100-I104 PolarHBondContact O-N 2.87Å; I102-I104 VanDerWaalsContact C-N 3.33Å; I102-I104 PolarHBondContact O-N 3.11Å; I104-E106 VanDerWaalsContact C-N 3.26Å; I104-E106 PolarHBondContact O-N 3.42Å; I104-Q107 PolarHBondContact O-N 3.08Å; I104-Q107 VanDerWaalsContact O-N 3.13Å; I104-Q107 PolarHBondContact O-NE2 3.14Å; I104-E488 HydrophobicContact CD1-CG 3.97Å; I104-I491 HydrophobicContact CB-CD1 4.07Å; I104-I491 HydrophobicContact CB-CG2 4.24Å; I104-I491 HydrophobicContact CD1-CD1 3.65Å; I104-I491 HydrophobicContact CG1-CD1 4.47Å; I104-I491 HydrophobicContact CG2-CB 4.02Å; I104-I491 HydrophobicContact CG2-CD1 4Å; I104-I491 HydrophobicContact CG2-CG2 3.92Å; I104-I493 HydrophobicContact CG2-CD1 4.12Å; I104-I493 WeakPolarHBondContact O-CD1 3.36Å |
| 105 | R | 95.7 | Very high | 96.4 | Very high | 74 Ų | 74 | 20.1 Ų | 20.1 | 28% | 0.279 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -55.7 | -41.7 | 179.9 | 172.1 | 166.5 | -163.9 | 109.8 | 5.5 | 112.4 | E101 I102 I491 D492 M494 | E101-R105 WeakPolarHBondContact O-CB 3.44Å; E101-R105 PolarHBondContact O-N 3.23Å; I102-R105 PolarHBondContact O-N 2.85Å; R105-I491 HydrophobicContact CB-CG2 3.94Å; R105-D492 VanDerWaalsContact CG-O 3.29Å; R105-D492 WeakPolarHBondContact CG-O 3.38Å; R105-D492 IonicContact NH1-OD2 2.74Å; R105-M494 HydrophobicContact CG-CB 4.05Å; R105-M494 WeakPolarHBondContact O-CB 3.41Å; R105-M494 PolarHBondContact O-N 3.37Å |
| 106 | E | 95.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -93.3 | -2.1 | -175.9 | -62.4 | -74.6 | 155.8 | 0 | 0 | 113 | R48 I50 K74 Y76 I102 I104 I108 | R48-E106 IonicContact CZ-OE2 3.23Å; R48-E106 VanDerWaalsContact CZ-OE2 3.28Å; R48-E106 IonicContact NE-OE2 2.93Å; R48-E106 PolarHBondContact NE-OE2 3.23Å; R48-E106 IonicContact NH2-OE1 3.18Å; R48-E106 IonicContact NH2-OE2 3.25Å; R48-E106 PolarHBondContact NH2-OE2 3.29Å; I50-E106 HydrophobicContact CD1-CB 3.95Å; I50-E106 HydrophobicContact CD1-CG 3.72Å; K74-E106 WeakPolarHBondContact CE-OE1 3.4Å; K74-E106 IonicContact NZ-OE1 3.71Å; K74-E106 PolarHBondContact NZ-OE1 3.09Å; Y76-E106 HydrophobicContact CE2-CG 3.9Å; Y76-E106 PolarHBondContact OH-OE1 3.17Å; I102-E106 HydrophobicContact CG2-CG 4.15Å; I102-E106 VanDerWaalsContact O-CB 3.26Å; I102-E106 WeakPolarHBondContact O-CB 3.48Å; I102-E106 WeakPolarHBondContact O-CG 3.41Å; I102-E106 PolarHBondContact O-N 2.92Å; I104-E106 VanDerWaalsContact C-N 3.26Å; I104-E106 PolarHBondContact O-N 3.42Å; E106-I108 HydrophobicContact CB-CD1 3.66Å; E106-I108 HydrophobicContact CB-CG1 3.9Å; E106-I108 PolarHBondContact O-N 3.4Å |
| 107 | Q | 94.5 | Very high | 95.9 | Very high | 95 Ų | 95 | 23.3 Ų | 23.3 | 44% | 0.444 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 49.6 | -178.8 | -63.7 | -74.1 | -69 | 0 | 0 | 111.8 | N16 V103 I104 D109 I493 | N16-Q107 WeakPolarHBondContact CB-O 3.47Å; N16-Q107 PolarHBondContact ND2-O 3.08Å; V103-Q107 WeakPolarHBondContact O-CA 3.41Å; V103-Q107 PolarHBondContact O-N 3.15Å; I104-Q107 PolarHBondContact O-N 3.08Å; I104-Q107 VanDerWaalsContact O-N 3.13Å; I104-Q107 PolarHBondContact O-NE2 3.14Å; Q107-D109 PolarHBondContact O-N 3.02Å; Q107-I493 HydrophobicContact CG-CD1 4.5Å; Q107-I493 HydrophobicContact CG-CG2 3.72Å; Q107-I493 VanDerWaalsContact NE2-CD1 3.35Å |
| 108 | I | 96 | Very high | 95.8 | Very high | 10 Ų | 10 | 20.3 Ų | 20.3 | 5% | 0.051 | 10% | 0.095 | C | C | . | . | trans | -68.9 | 124.7 | -173 | -60.6 | -57.9 | 0 | 0 | 0 | 111.2 | N16 A18 I50 V103 E106 I110 I111 C133 | N16-I108 HydrophobicContact CB-CD1 4.37Å; A18-I108 HydrophobicContact CB-CD1 3.92Å; A18-I108 HydrophobicContact CB-CG1 4.05Å; A18-I108 HydrophobicContact CB-CG2 3.92Å; I50-I108 HydrophobicContact CD1-CD1 3.77Å; I50-I108 HydrophobicContact CD1-CG1 4.36Å; I50-I108 HydrophobicContact CG1-CD1 4.09Å; V103-I108 HydrophobicContact CB-CB 4.5Å; V103-I108 HydrophobicContact CG1-CB 4.28Å; V103-I108 HydrophobicContact CG2-CB 4.38Å; V103-I108 HydrophobicContact CG2-CG1 4.48Å; V103-I108 PolarHBondContact O-N 3.12Å; E106-I108 HydrophobicContact CB-CD1 3.66Å; E106-I108 HydrophobicContact CB-CG1 3.9Å; E106-I108 PolarHBondContact O-N 3.4Å; I108-I110 VanDerWaalsContact CG2-O 3.25Å; I108-I110 WeakPolarHBondContact CG2-O 3.38Å; I108-I111 HydrophobicContact CG2-CG1 4.06Å; I108-C133 PolarHBondContact O-SG 2.98Å | ||
| 109 | D | 95.3 | Very high | 95.7 | Very high | 38 Ų | 38 | 18.9 Ų | 18.9 | 20% | 0.203 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -85 | -39.9 | 172.3 | -57.3 | -59.3 | 0 | 0 | 0 | 110.7 | F15 N16 Q107 R134 M443 | F15-D109 WeakPolarHBondContact CA-OD2 3.43Å; F15-D109 HydrophobicContact CB-CB 4.48Å; N16-D109 PolarHBondContact N-OD2 3.07Å; N16-D109 PolarHBondContact O-N 3.33Å; Q107-D109 PolarHBondContact O-N 3.02Å; D109-R134 PolarHBondContact O-N 2.83Å; D109-M443 HydrophobicContact CB-CE 4.3Å; D109-M443 HydrophobicContact CB-SD 4.44Å |
| 110 | I | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 123.2 | -171.2 | -57.4 | 167.8 | 0 | 0 | 0 | 110.3 | F15 N16 I17 A18 I108 R134 V136 Y439 M443 | F15-I110 HydrophobicContact CB-CD1 4Å; F15-I110 HydrophobicContact CD1-CD1 4.39Å; F15-I110 HydrophobicContact CD2-CD1 3.89Å; F15-I110 HydrophobicContact CG-CD1 3.84Å; N16-I110 PolarHBondContact O-N 2.89Å; I17-I110 WeakPolarHBondContact CA-O 3.44Å; I17-I110 HydrophobicContact CG1-CB 4.4Å; A18-I110 PolarHBondContact N-O 3.27Å; I108-I110 VanDerWaalsContact CG2-O 3.25Å; I108-I110 WeakPolarHBondContact CG2-O 3.38Å; I110-R134 CarbonylContact C-O 3.55Å; I110-R134 WeakPolarHBondContact CA-O 3.46Å; I110-R134 HydrophobicContact CG1-CB 4.17Å; I110-V136 HydrophobicContact CG2-CG2 4.2Å; I110-Y439 HydrophobicContact CD1-CD1 3.83Å; I110-Y439 HydrophobicContact CD1-CD2 4.45Å; I110-Y439 HydrophobicContact CD1-CG 3.71Å; I110-Y439 HydrophobicContact CG2-CD1 3.97Å; I110-Y439 HydrophobicContact CG2-CE1 4.04Å; I110-M443 HydrophobicContact CD1-CG 4.09Å; I110-M443 HydrophobicContact CD1-SD 4.34Å; I110-M443 HydrophobicContact CG1-CG 4.37Å; I110-M443 HydrophobicContact CG1-SD 3.99Å |
| 111 | I | 98.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123.1 | 161.1 | -69.3 | -162.1 | 0 | 0 | 0 | 108.5 | A18 V20 I99 V103 I108 A124 A128 R134 T135 V136 | A18-I111 HydrophobicContact CB-CG1 4.4Å; V20-I111 HydrophobicContact CG2-CG2 3.85Å; I99-I111 HydrophobicContact CG2-CD1 4.32Å; V103-I111 HydrophobicContact CG2-CD1 3.85Å; I108-I111 HydrophobicContact CG2-CG1 4.06Å; I111-A124 HydrophobicContact CD1-CB 4.39Å; I111-A124 HydrophobicContact CG2-CB 4.07Å; I111-A128 HydrophobicContact CB-CB 3.76Å; I111-A128 HydrophobicContact CD1-CB 3.48Å; I111-A128 VanDerWaalsContact CD1-CB 3.48Å; I111-A128 HydrophobicContact CG1-CB 3.68Å; I111-A128 HydrophobicContact CG2-CB 4.44Å; I111-R134 PolarHBondContact N-O 3.2Å; I111-T135 WeakPolarHBondContact O-CA 3.38Å; I111-V136 PolarHBondContact O-N 2.68Å |
| 112 | H | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 101.3 | 174.8 | -170.6 | 174.3 | 0 | 0 | 0 | 109.8 | I17 A18 M19 V20 H114 V136 T138 Y439 | I17-H112 HydrophobicContact CG2-CB 4.31Å; A18-H112 PolarHBondContact O-N 3.4Å; M19-H112 CarbonylContact C-O 3.54Å; M19-H112 WeakPolarHBondContact CA-O 3.5Å; M19-H112 HydrophobicContact SD-CB 3.7Å; V20-H112 PolarHBondContact N-O 2.85Å; H112-H114 AromaticContact CD2-NE2 3.74Å; H112-H114 AromaticContact CE1-CE1 3.96Å; H112-H114 AromaticContact CE1-NE2 3.76Å; H112-H114 AromaticContact CG-NE2 3.79Å; H112-H114 AromaticContact ND1-NE2 3.8Å; H112-H114 AromaticContact NE2-CE1 3.95Å; H112-H114 AromaticContact NE2-NE2 3.75Å; H112-H114 PolarHBondContact O-CD2 3.3Å; H112-V136 CarbonylContact C-O 3.59Å; H112-V136 VanDerWaalsContact CA-O 3.22Å; H112-V136 WeakPolarHBondContact CA-O 3.38Å; H112-V136 PolarHBondContact CD2-O 3.07Å; H112-T138 PolarHBondContact CE1-OG1 3.31Å; H112-T138 VanDerWaalsContact CE1-OG1 3.26Å; H112-T138 PolarHBondContact NE2-OG1 3.35Å; H112-Y439 HydrophobicContact CB-CE1 4.43Å; H112-Y439 AromaticContact ND1-CE1 3.74Å; H112-Y439 AromaticContact ND1-CZ 3.68Å; H112-Y439 PolarHBondContact ND1-OH 3.34Å |
| 113 | G | 98.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.01 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 143.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V136 H137 T138 | G113-V136 PolarHBondContact N-O 2.91Å; G113-H137 CarbonylContact O-C 3.53Å; G113-H137 VanDerWaalsContact O-CA 3.32Å; G113-H137 WeakPolarHBondContact O-CA 3.44Å; G113-T138 PolarHBondContact O-N 3.02Å |
| 114 | H | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 120.5 | 176.3 | -71.6 | -106.8 | 0 | 0 | 0 | 111.6 | V20 S21 V31 H34 I35 H112 S118 H140 | V20-H114 PolarHBondContact O-N 3.11Å; S21-H114 PolarHBondContact OG-O 2.96Å; V31-H114 HydrophobicContact CG1-CB 4.2Å; H34-H114 AromaticContact CD2-CE1 3.53Å; H34-H114 AromaticContact CD2-ND1 3.72Å; H34-H114 AromaticContact NE2-CE1 3.61Å; H34-H114 AromaticContact NE2-ND1 3.99Å; I35-H114 HydrophobicContact CD1-CB 3.85Å; I35-H114 HydrophobicContact CG1-CB 4.14Å; H112-H114 AromaticContact CD2-NE2 3.74Å; H112-H114 AromaticContact CE1-CE1 3.96Å; H112-H114 AromaticContact CE1-NE2 3.76Å; H112-H114 AromaticContact CG-NE2 3.79Å; H112-H114 AromaticContact ND1-NE2 3.8Å; H112-H114 AromaticContact NE2-CE1 3.95Å; H112-H114 AromaticContact NE2-NE2 3.75Å; H112-H114 PolarHBondContact O-CD2 3.3Å; H114-S118 WeakPolarHBondContact O-CB 3.19Å; H114-H140 AromaticContact CG-NE2 3.97Å; H114-H140 AromaticContact ND1-NE2 3.18Å; H114-H140 PolarHBondContact ND1-NE2 2.97Å; H114-H140 VanDerWaalsContact ND1-NE2 3.18Å |
| 115 | S | 92.6 | Very high | 95.4 | Very high | 5 Ų | 5 | 16 Ų | 16 | 4% | 0.035 | 8% | 0.076 | C | C | . | . | trans | 66.8 | 134.6 | -177.8 | -171 | 0 | 0 | 0 | 0 | 115.4 | F117 S118 H137 T138 | S115-F117 PolarHBondContact O-N 3.1Å; S115-F117 PolarHBondContact OG-N 3.29Å; S115-S118 WeakPolarHBondContact O-CB 3.44Å; S115-S118 PolarHBondContact O-N 3.43Å; S115-H137 PolarHBondContact O-CE1 3.4Å; S115-T138 PolarHBondContact N-O 3.45Å | ||
| 116 | I | 91 | Very high | 95.3 | Very high | 4 Ų | 4 | 13.5 Ų | 13.5 | 2% | 0.021 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -21.7 | 171.1 | -164 | 68 | 0 | 0 | 0 | 112.9 | S118 C122 H137 E139 M153 M157 V160 F161 | I116-S118 PolarHBondContact O-N 2.9Å; I116-C122 PolarHBondContact O-SG 3.05Å; I116-C122 VanDerWaalsContact O-SG 3.4Å; I116-H137 PolarHBondContact N-NE2 3.18Å; I116-E139 VanDerWaalsContact CB-OE2 3.31Å; I116-E139 WeakPolarHBondContact CB-OE2 3.26Å; I116-E139 WeakPolarHBondContact CG2-OE2 3.35Å; I116-E139 PolarHBondContact N-OE2 2.89Å; I116-M153 HydrophobicContact CG1-SD 4.07Å; I116-M153 HydrophobicContact CG2-SD 4.42Å; I116-M157 HydrophobicContact CB-CE 3.71Å; I116-M157 HydrophobicContact CD1-CB 3.93Å; I116-M157 HydrophobicContact CD1-CE 4.43Å; I116-M157 HydrophobicContact CD1-CG 3.97Å; I116-M157 HydrophobicContact CG1-CB 4.01Å; I116-M157 HydrophobicContact CG1-CE 3.77Å; I116-M157 HydrophobicContact CG1-CG 4.18Å; I116-M157 HydrophobicContact CG2-CE 3.56Å; I116-V160 HydrophobicContact CD1-CB 4.45Å; I116-F161 HydrophobicContact CD1-CD1 4.35Å; I116-F161 HydrophobicContact CD1-CE1 3.78Å |
| 117 | F | 89.6 | Confident | 95.3 | Very high | 62 Ų | 62 | 13.5 Ų | 13.5 | 27% | 0.272 | 7% | 0.069 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 4.4 | 176.9 | -68.1 | -68.7 | 0 | 0 | 0 | 113.8 | S115 P119 S141 F143 M153 | S115-F117 PolarHBondContact O-N 3.1Å; S115-F117 PolarHBondContact OG-N 3.29Å; F117-P119 WeakPolarHBondContact O-CD 3.25Å; F117-S141 WeakPolarHBondContact CD2-OG 3.27Å; F117-S141 WeakPolarHBondContact CE2-OG 3.44Å; F117-F143 HydrophobicContact CE1-CE2 4.18Å; F117-F143 HydrophobicContact CE1-CZ 4.24Å; F117-F143 HydrophobicContact CE2-CD2 4.28Å; F117-F143 HydrophobicContact CZ-CD1 4.34Å; F117-F143 AromaticContact CZ-CD2 3.55Å; F117-F143 HydrophobicContact CZ-CD2 3.55Å; F117-F143 HydrophobicContact CZ-CE1 4.33Å; F117-F143 AromaticContact CZ-CE2 3.61Å; F117-F143 HydrophobicContact CZ-CE2 3.61Å; F117-F143 AromaticContact CZ-CG 3.95Å; F117-F143 HydrophobicContact CZ-CG 3.95Å; F117-F143 HydrophobicContact CZ-CZ 4.02Å; F117-M153 HydrophobicContact CD1-CE 3.92Å; F117-M153 HydrophobicContact CE1-CE 3.82Å; F117-M153 HydrophobicContact CE1-CG 4.24Å; F117-M153 HydrophobicContact CE1-SD 4.38Å |
| 118 | S | 94 | Very high | 95.3 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.048 | C | C | . | . | trans | -102.4 | 94.6 | 171.6 | 164.2 | 0 | 0 | 0 | 0 | 108.5 | S21 D22 H114 S115 I116 L120 A121 C122 | S21-S118 WeakPolarHBondContact CA-OG 3.45Å; D22-S118 PolarHBondContact N-OG 3.4Å; D22-S118 WeakPolarHBondContact OD2-CA 3.44Å; D22-S118 WeakPolarHBondContact OD2-CB 3.29Å; D22-S118 PolarHBondContact OD2-OG 3.43Å; H114-S118 WeakPolarHBondContact O-CB 3.19Å; S115-S118 WeakPolarHBondContact O-CB 3.44Å; S115-S118 PolarHBondContact O-N 3.43Å; I116-S118 PolarHBondContact O-N 2.9Å; S118-L120 PolarHBondContact O-N 3.12Å; S118-A121 WeakPolarHBondContact O-CB 3.14Å; S118-A121 PolarHBondContact O-N 3.14Å; S118-A121 WeakPolarHBondContact OG-CB 3.11Å; S118-A121 PolarHBondContact OG-N 2.95Å; S118-C122 PolarHBondContact O-N 3.32Å; S118-C122 PolarHBondContact O-SG 2.92Å | ||
| 119 | P | 94.4 | Very high | 94.9 | Very high | 21 Ų | 21 | 9.4 Ų | 9.4 | 14% | 0.136 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -49.6 | -37.3 | 171.8 | -30.3 | 37.1 | 0 | 0 | 0 | 112.8 | D22 I88 I90 F117 A121 C122 E123 | D22-P119 VanDerWaalsContact OD2-CD 3.23Å; D22-P119 WeakPolarHBondContact OD2-CD 3.23Å; D22-P119 VanDerWaalsContact OD2-N 3.11Å; I88-P119 HydrophobicContact CG1-CB 3.98Å; I90-P119 HydrophobicContact CG1-CB 4Å; I90-P119 HydrophobicContact CG1-CG 4.06Å; F117-P119 WeakPolarHBondContact O-CD 3.25Å; P119-A121 VanDerWaalsContact C-N 3.35Å; P119-A121 PolarHBondContact O-N 3.39Å; P119-C122 WeakPolarHBondContact O-CB 3.23Å; P119-C122 PolarHBondContact O-N 2.85Å; P119-E123 WeakPolarHBondContact O-CB 3.18Å; P119-E123 WeakPolarHBondContact O-CG 3.21Å; P119-E123 PolarHBondContact O-N 3.36Å |
| 120 | L | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62.9 | -41.6 | 177.1 | -178.1 | 57.9 | 0 | 0 | 0 | 111.8 | V20 D22 I78 I88 T95 I99 S118 A124 | V20-L120 HydrophobicContact CG1-CD1 4.5Å; V20-L120 HydrophobicContact CG1-CD2 4.32Å; V20-L120 HydrophobicContact CG1-CG 3.77Å; D22-L120 VanDerWaalsContact OD2-CB 3.27Å; D22-L120 WeakPolarHBondContact OD2-CB 3.43Å; D22-L120 PolarHBondContact OD2-N 2.91Å; I78-L120 HydrophobicContact CD1-CD1 3.71Å; I78-L120 HydrophobicContact CD1-CD2 4.3Å; I88-L120 HydrophobicContact CD1-CB 3.77Å; I88-L120 HydrophobicContact CD1-CD1 4.04Å; I88-L120 HydrophobicContact CD1-CG 4.44Å; I88-L120 HydrophobicContact CG1-CB 4.25Å; T95-L120 HydrophobicContact CG2-CD1 3.89Å; I99-L120 HydrophobicContact CD1-CD1 4.11Å; S118-L120 PolarHBondContact O-N 3.12Å; L120-A124 WeakPolarHBondContact O-CB 3.45Å; L120-A124 PolarHBondContact O-N 2.89Å |
| 121 | A | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.8 | -40.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V20 S118 P119 A124 A125 | V20-A121 WeakPolarHBondContact O-CB 3.49Å; S118-A121 WeakPolarHBondContact O-CB 3.14Å; S118-A121 PolarHBondContact O-N 3.14Å; S118-A121 WeakPolarHBondContact OG-CB 3.11Å; S118-A121 PolarHBondContact OG-N 2.95Å; P119-A121 VanDerWaalsContact C-N 3.35Å; P119-A121 PolarHBondContact O-N 3.39Å; A121-A124 PolarHBondContact O-N 3.27Å; A121-A125 PolarHBondContact O-N 3.18Å |
| 122 | C | 95.1 | Very high | 94.2 | Very high | 10 Ų | 10 | 13.5 Ų | 13.5 | 7% | 0.068 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.1 | -47.4 | 178.2 | -64.1 | 0 | 0 | 0 | 0 | 112 | I116 S118 P119 A125 V126 V160 | I116-C122 PolarHBondContact O-SG 3.05Å; I116-C122 VanDerWaalsContact O-SG 3.4Å; S118-C122 PolarHBondContact O-N 3.32Å; S118-C122 PolarHBondContact O-SG 2.92Å; P119-C122 WeakPolarHBondContact O-CB 3.23Å; P119-C122 PolarHBondContact O-N 2.85Å; C122-A125 PolarHBondContact O-N 3.2Å; C122-V126 PolarHBondContact O-N 3.29Å; C122-V160 HydrophobicContact CB-CG1 4Å; C122-V160 HydrophobicContact CB-CG2 3.84Å |
| 123 | E | 95.4 | Very high | 93.9 | Very high | 10 Ų | 10 | 14 Ų | 14 | 5% | 0.047 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.6 | -41.8 | 177.8 | -71.4 | -177.4 | -158 | 0 | 0 | 111 | I90 T91 V92 T95 P119 A125 V126 H127 | I90-E123 WeakPolarHBondContact CA-OE1 3.25Å; T91-E123 PolarHBondContact N-OE1 2.8Å; T91-E123 PolarHBondContact OG1-OE2 3.46Å; V92-E123 VanDerWaalsContact N-CD 3.27Å; V92-E123 PolarHBondContact N-OE1 2.91Å; V92-E123 PolarHBondContact N-OE2 2.98Å; T95-E123 WeakPolarHBondContact OG1-CB 3.28Å; T95-E123 PolarHBondContact OG1-OE2 3.06Å; P119-E123 WeakPolarHBondContact O-CB 3.18Å; P119-E123 WeakPolarHBondContact O-CG 3.21Å; P119-E123 PolarHBondContact O-N 3.36Å; E123-A125 PolarHBondContact O-N 3.48Å; E123-V126 WeakPolarHBondContact O-CB 3.42Å; E123-V126 PolarHBondContact O-N 3.03Å; E123-H127 WeakPolarHBondContact O-CB 3.36Å; E123-H127 PolarHBondContact O-CD2 2.87Å; E123-H127 PolarHBondContact O-N 2.93Å; E123-H127 PolarHBondContact O-ND1 3.46Å; E123-H127 VanDerWaalsContact O-ND1 3.12Å |
| 124 | A | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.5 | -42 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V20 I99 I111 L120 A121 V126 H127 A128 | V20-A124 HydrophobicContact CB-CB 4.05Å; V20-A124 HydrophobicContact CG1-CB 3.65Å; V20-A124 HydrophobicContact CG2-CB 3.99Å; I99-A124 HydrophobicContact CD1-CB 3.82Å; I111-A124 HydrophobicContact CD1-CB 4.39Å; I111-A124 HydrophobicContact CG2-CB 4.07Å; L120-A124 WeakPolarHBondContact O-CB 3.45Å; L120-A124 PolarHBondContact O-N 2.89Å; A121-A124 PolarHBondContact O-N 3.27Å; A124-V126 VanDerWaalsContact C-N 3.34Å; A124-V126 PolarHBondContact O-N 3Å; A124-H127 PolarHBondContact O-N 2.86Å; A124-A128 WeakPolarHBondContact O-CB 3.48Å; A124-A128 PolarHBondContact O-N 3.22Å |
| 125 | A | 95 | Very high | 93.8 | Very high | 3 Ų | 3 | 15 Ų | 15 | 3% | 0.025 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A121 C122 E123 H127 A128 Q129 T135 V164 | A121-A125 PolarHBondContact O-N 3.18Å; C122-A125 PolarHBondContact O-N 3.2Å; E123-A125 PolarHBondContact O-N 3.48Å; A125-H127 VanDerWaalsContact C-N 3.33Å; A125-H127 PolarHBondContact O-N 2.84Å; A125-A128 PolarHBondContact O-N 2.96Å; A125-Q129 PolarHBondContact O-N 3.32Å; A125-T135 HydrophobicContact CB-CG2 4.48Å; A125-T135 WeakPolarHBondContact O-CG2 3.46Å; A125-V164 HydrophobicContact CB-CG2 4.27Å |
| 126 | V | 93.3 | Very high | 94.1 | Very high | 23 Ų | 23 | 14.9 Ų | 14.9 | 14% | 0.139 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.9 | -40.4 | 175.7 | 160.5 | 0 | 0 | 0 | 0 | 111.9 | C122 E123 A124 A163 R453 | C122-V126 PolarHBondContact O-N 3.29Å; E123-V126 WeakPolarHBondContact O-CB 3.42Å; E123-V126 PolarHBondContact O-N 3.03Å; A124-V126 VanDerWaalsContact C-N 3.34Å; A124-V126 PolarHBondContact O-N 3Å; V126-A163 HydrophobicContact CG2-CB 4.34Å; V126-R453 PolarHBondContact O-NH1 2.79Å |
| 127 | H | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -71.6 | -43.6 | 179.2 | -61.8 | -4.7 | 0 | 0 | 0 | 112.3 | V92 T95 L96 I99 E123 A124 A125 Q129 S130 L131 H475 | V92-H127 PolarHBondContact O-CE1 3.28Å; T95-H127 PolarHBondContact OG1-CD2 3.39Å; T95-H127 PolarHBondContact OG1-NE2 3.11Å; L96-H127 VanDerWaalsContact CA-CD2 3.43Å; L96-H127 WeakPolarHBondContact CA-CD2 3.35Å; L96-H127 VanDerWaalsContact CA-NE2 3.34Å; L96-H127 WeakPolarHBondContact CA-NE2 3.34Å; L96-H127 HydrophobicContact CD1-CB 3.94Å; L96-H127 PolarHBondContact N-NE2 3.02Å; L96-H127 VanDerWaalsContact N-NE2 3.12Å; I99-H127 HydrophobicContact CG2-CB 4.17Å; E123-H127 WeakPolarHBondContact O-CB 3.36Å; E123-H127 PolarHBondContact O-CD2 2.87Å; E123-H127 PolarHBondContact O-N 2.93Å; E123-H127 PolarHBondContact O-ND1 3.46Å; E123-H127 VanDerWaalsContact O-ND1 3.12Å; A124-H127 PolarHBondContact O-N 2.86Å; A125-H127 VanDerWaalsContact C-N 3.33Å; A125-H127 PolarHBondContact O-N 2.84Å; H127-Q129 VanDerWaalsContact C-N 3.26Å; H127-Q129 PolarHBondContact O-N 3.17Å; H127-S130 PolarHBondContact O-N 3.12Å; H127-S130 VanDerWaalsContact O-N 3.12Å; H127-L131 WeakPolarHBondContact O-CG 2.99Å; H127-L131 PolarHBondContact O-N 2.77Å; H127-H475 AromaticContact CE1-CD2 3.86Å; H127-H475 AromaticContact CE1-NE2 3.52Å; H127-H475 AromaticContact CG-NE2 3.82Å; H127-H475 AromaticContact ND1-CD2 3.63Å; H127-H475 AromaticContact ND1-CE1 3.98Å; H127-H475 AromaticContact ND1-NE2 2.92Å; H127-H475 PolarHBondContact ND1-NE2 2.93Å |
| 128 | A | 93.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -54 | -45.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I111 A124 A125 S130 L131 G132 C133 T135 | I111-A128 HydrophobicContact CB-CB 3.76Å; I111-A128 HydrophobicContact CD1-CB 3.48Å; I111-A128 VanDerWaalsContact CD1-CB 3.48Å; I111-A128 HydrophobicContact CG1-CB 3.68Å; I111-A128 HydrophobicContact CG2-CB 4.44Å; A124-A128 WeakPolarHBondContact O-CB 3.48Å; A124-A128 PolarHBondContact O-N 3.22Å; A125-A128 PolarHBondContact O-N 2.96Å; A128-S130 VanDerWaalsContact C-N 3.28Å; A128-S130 PolarHBondContact O-N 3.06Å; A128-L131 CarbonylContact O-C 3.59Å; A128-L131 WeakPolarHBondContact O-CA 3.33Å; A128-L131 PolarHBondContact O-N 3.39Å; A128-G132 PolarHBondContact O-N 3.09Å; A128-C133 HydrophobicContact CB-CB 3.76Å; A128-C133 PolarHBondContact O-N 3.43Å; A128-T135 HydrophobicContact CB-CG2 3.51Å |
| 129 | Q | 88.6 | Confident | 94.8 | Very high | 19 Ų | 19 | 11.8 Ų | 11.8 | 9% | 0.089 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.6 | -39.1 | -178.7 | -167.4 | -108 | 22.5 | 0 | 0 | 112 | A125 H127 L131 G132 A163 R453 | A125-Q129 PolarHBondContact O-N 3.32Å; H127-Q129 VanDerWaalsContact C-N 3.26Å; H127-Q129 PolarHBondContact O-N 3.17Å; Q129-L131 VanDerWaalsContact C-N 3.33Å; Q129-G132 PolarHBondContact O-N 3.36Å; Q129-A163 HydrophobicContact CB-CB 4.11Å; Q129-A163 HydrophobicContact CG-CB 4.32Å; Q129-R453 VanDerWaalsContact OE1-CD 3.23Å |
| 130 | S | 90.5 | Very high | 94.7 | Very high | 35 Ų | 35 | 12.1 Ų | 12.1 | 25% | 0.245 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -75 | -21.6 | 175.2 | -59.2 | 0 | 0 | 0 | 0 | 113.7 | H127 A128 R453 H475 | H127-S130 PolarHBondContact O-N 3.12Å; H127-S130 VanDerWaalsContact O-N 3.12Å; A128-S130 VanDerWaalsContact C-N 3.28Å; A128-S130 PolarHBondContact O-N 3.06Å; S130-R453 PolarHBondContact OG-NH1 3.01Å; S130-H475 PolarHBondContact OG-CE1 3.21Å; S130-H475 VanDerWaalsContact OG-CE1 3.25Å; S130-H475 PolarHBondContact OG-ND1 3.37Å |
| 131 | L | 93.1 | Very high | 94 | Very high | 42 Ų | 42 | 13.1 Ų | 13.1 | 22% | 0.22 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -90.2 | -1.5 | 175.7 | -66.1 | 169.2 | 0 | 0 | 0 | 112.7 | R100 V103 H127 A128 Q129 C133 L479 | R100-L131 HydrophobicContact CB-CD1 4.12Å; R100-L131 HydrophobicContact CB-CD2 4.17Å; R100-L131 HydrophobicContact CG-CD2 3.79Å; V103-L131 HydrophobicContact CB-CD1 4.16Å; V103-L131 HydrophobicContact CG1-CB 4.41Å; V103-L131 HydrophobicContact CG1-CD1 4.07Å; V103-L131 HydrophobicContact CG2-CD1 4.23Å; H127-L131 WeakPolarHBondContact O-CG 2.99Å; H127-L131 PolarHBondContact O-N 2.77Å; A128-L131 CarbonylContact O-C 3.59Å; A128-L131 WeakPolarHBondContact O-CA 3.33Å; A128-L131 PolarHBondContact O-N 3.39Å; Q129-L131 VanDerWaalsContact C-N 3.33Å; L131-C133 VanDerWaalsContact C-N 3.33Å; L131-L479 HydrophobicContact CD2-CD1 3.84Å; L131-L479 HydrophobicContact CD2-CD2 4.37Å |
| 132 | G | 90.8 | Very high | 93.2 | Very high | 49 Ų | 49 | 14.4 Ų | 14.4 | 51% | 0.505 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 5.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A128 Q129 | A128-G132 PolarHBondContact O-N 3.09Å; Q129-G132 PolarHBondContact O-N 3.36Å |
| 133 | C | 94.2 | Very high | 92.2 | Very high | 9 Ų | 9 | 16.4 Ų | 16.4 | 6% | 0.061 | 10% | 0.099 | C | C | . | . | trans | -76.3 | 153 | 173.7 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | V103 I108 A128 L131 | V103-C133 WeakPolarHBondContact CG1-SG 3.39Å; I108-C133 PolarHBondContact O-SG 2.98Å; A128-C133 HydrophobicContact CB-CB 3.76Å; A128-C133 PolarHBondContact O-N 3.43Å; L131-C133 VanDerWaalsContact C-N 3.33Å | ||
| 134 | R | 95.9 | Very high | 90.8 | Very high | 24 Ų | 24 | 17.8 Ų | 17.8 | 9% | 0.091 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 155.7 | 168.9 | -56.4 | -48.3 | 175.4 | 125.9 | 9.7 | 111.7 | D109 I110 I111 D165 A442 M443 K445 P446 | D109-R134 PolarHBondContact O-N 2.83Å; I110-R134 CarbonylContact C-O 3.55Å; I110-R134 WeakPolarHBondContact CA-O 3.46Å; I110-R134 HydrophobicContact CG1-CB 4.17Å; I111-R134 PolarHBondContact N-O 3.2Å; R134-D165 WeakPolarHBondContact CA-OD2 3.38Å; R134-A442 HydrophobicContact CB-CB 4.28Å; R134-A442 PolarHBondContact NH1-O 2.97Å; R134-M443 HydrophobicContact CB-SD 4.07Å; R134-M443 HydrophobicContact CG-CG 4.4Å; R134-M443 HydrophobicContact CG-SD 3.33Å; R134-M443 WeakPolarHBondContact CG-SD 3.4Å; R134-K445 PolarHBondContact NH1-O 3.39Å; R134-K445 PolarHBondContact NH2-O 3.17Å; R134-P446 PolarHBondContact NH1-O 2.97Å |
| 135 | T | 97 | Very high | 89.6 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 120.2 | -171.9 | 51.4 | 0 | 0 | 0 | 0 | 110.5 | I111 A125 A128 A163 V164 D165 Q166 | I111-T135 WeakPolarHBondContact O-CA 3.38Å; A125-T135 HydrophobicContact CB-CG2 4.48Å; A125-T135 WeakPolarHBondContact O-CG2 3.46Å; A128-T135 HydrophobicContact CB-CG2 3.51Å; T135-A163 PolarHBondContact OG1-O 3.49Å; T135-V164 WeakPolarHBondContact OG1-CA 3.25Å; T135-D165 PolarHBondContact N-OD2 2.86Å; T135-D165 WeakPolarHBondContact O-CA 3.39Å; T135-D165 VanDerWaalsContact O-CB 3.25Å; T135-D165 WeakPolarHBondContact O-CB 3.41Å; T135-D165 PolarHBondContact O-N 3.48Å; T135-D165 PolarHBondContact OG1-N 2.91Å; T135-D165 PolarHBondContact OG1-OD2 3.14Å; T135-Q166 PolarHBondContact O-N 3.16Å |
| 136 | V | 98 | Very high | 88.1 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 144.5 | 168.8 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | I110 I111 H112 G113 Q166 I168 V438 Y439 A442 | I110-V136 HydrophobicContact CG2-CG2 4.2Å; I111-V136 PolarHBondContact O-N 2.68Å; H112-V136 CarbonylContact C-O 3.59Å; H112-V136 VanDerWaalsContact CA-O 3.22Å; H112-V136 WeakPolarHBondContact CA-O 3.38Å; H112-V136 PolarHBondContact CD2-O 3.07Å; G113-V136 PolarHBondContact N-O 2.91Å; V136-Q166 VanDerWaalsContact CA-O 3.29Å; V136-Q166 WeakPolarHBondContact CA-O 3.48Å; V136-Q166 HydrophobicContact CG2-CB 4.35Å; V136-I168 HydrophobicContact CG1-CD1 3.75Å; V136-I168 HydrophobicContact CG1-CG1 4.08Å; V136-V438 HydrophobicContact CG1-CG1 4.15Å; V136-V438 HydrophobicContact CG2-CG1 4.39Å; V136-Y439 HydrophobicContact CB-CD1 4.42Å; V136-Y439 HydrophobicContact CB-CE1 4.18Å; V136-Y439 HydrophobicContact CG1-CE1 4.37Å; V136-Y439 HydrophobicContact CG2-CD1 3.81Å; V136-Y439 HydrophobicContact CG2-CE1 4.07Å; V136-A442 HydrophobicContact CG2-CB 4.14Å |
| 137 | H | 97.7 | Very high | 87 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 124.3 | 175.2 | -171.5 | 86 | 0 | 0 | 0 | 110.3 | G113 S115 I116 E139 F161 V164 Q166 V167 I168 | G113-H137 CarbonylContact O-C 3.53Å; G113-H137 VanDerWaalsContact O-CA 3.32Å; G113-H137 WeakPolarHBondContact O-CA 3.44Å; S115-H137 PolarHBondContact O-CE1 3.4Å; I116-H137 PolarHBondContact N-NE2 3.18Å; H137-E139 IonicContact NE2-OE2 2.68Å; H137-F161 AromaticContact CD2-CE1 3.77Å; H137-F161 AromaticContact CD2-CZ 3.57Å; H137-F161 AromaticContact NE2-CE1 4Å; H137-V164 HydrophobicContact CB-CG1 3.93Å; H137-V164 HydrophobicContact CB-CG2 4.21Å; H137-Q166 PolarHBondContact N-O 2.68Å; H137-V167 CarbonylContact O-C 3.51Å; H137-V167 VanDerWaalsContact O-CA 3.31Å; H137-V167 WeakPolarHBondContact O-CA 3.31Å; H137-V167 WeakPolarHBondContact O-CG1 3.31Å; H137-I168 PolarHBondContact O-N 3.48Å |
| 138 | T | 97.9 | Very high | 85.8 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 122 | 170 | -62.4 | 0 | 0 | 0 | 0 | 110.1 | H112 G113 S115 H140 I168 V170 | H112-T138 PolarHBondContact CE1-OG1 3.31Å; H112-T138 VanDerWaalsContact CE1-OG1 3.26Å; H112-T138 PolarHBondContact NE2-OG1 3.35Å; G113-T138 PolarHBondContact O-N 3.02Å; S115-T138 PolarHBondContact N-O 3.45Å; T138-H140 VanDerWaalsContact CG2-CE1 3.4Å; T138-H140 WeakPolarHBondContact CG2-CE1 3.44Å; T138-H140 VanDerWaalsContact CG2-NE2 3.28Å; T138-H140 WeakPolarHBondContact CG2-NE2 3.36Å; T138-H140 PolarHBondContact O-CD2 3.14Å; T138-I168 CarbonylContact C-O 3.51Å; T138-I168 VanDerWaalsContact CA-O 3.3Å; T138-I168 WeakPolarHBondContact CA-O 3.44Å; T138-I168 HydrophobicContact CG2-CB 4.26Å; T138-I168 HydrophobicContact CG2-CG2 4.1Å; T138-V170 HydrophobicContact CG2-CG1 4.43Å |
| 139 | E | 95.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 124.1 | 174.1 | -170.8 | 48.7 | -104.2 | 0 | 0 | 111.6 | I116 H137 S141 I168 T174 V178 | I116-E139 VanDerWaalsContact CB-OE2 3.31Å; I116-E139 WeakPolarHBondContact CB-OE2 3.26Å; I116-E139 WeakPolarHBondContact CG2-OE2 3.35Å; I116-E139 PolarHBondContact N-OE2 2.89Å; H137-E139 IonicContact NE2-OE2 2.68Å; E139-S141 WeakPolarHBondContact OE1-CB 3.36Å; E139-S141 PolarHBondContact OE1-N 3.25Å; E139-S141 PolarHBondContact OE1-OG 3.35Å; E139-I168 PolarHBondContact N-O 3.04Å; E139-T174 HydrophobicContact CB-CG2 4.22Å; E139-T174 HydrophobicContact CG-CG2 4.11Å; E139-V178 HydrophobicContact CB-CG2 4.09Å; E139-V178 HydrophobicContact CG-CG2 4Å |
| 140 | H | 91.9 | Very high | 84.5 | Confident | 28 Ų | 28 | 39.1 Ų | 39.1 | 13% | 0.13 | 24% | 0.238 | C | C | . | . | trans | -108.1 | -3.7 | -175.9 | -65.4 | -76.7 | 0 | 0 | 0 | 112.9 | V31 H34 H114 T138 A300 | V31-H140 HydrophobicContact CG2-CB 3.96Å; H34-H140 AromaticContact CD2-CE1 3.77Å; H34-H140 AromaticContact CE1-CE1 3.68Å; H34-H140 AromaticContact CG-CE1 3.64Å; H34-H140 AromaticContact ND1-CE1 3.57Å; H34-H140 AromaticContact NE2-CE1 3.79Å; H114-H140 AromaticContact CG-NE2 3.97Å; H114-H140 AromaticContact ND1-NE2 3.18Å; H114-H140 PolarHBondContact ND1-NE2 2.97Å; H114-H140 VanDerWaalsContact ND1-NE2 3.18Å; T138-H140 VanDerWaalsContact CG2-CE1 3.4Å; T138-H140 WeakPolarHBondContact CG2-CE1 3.44Å; T138-H140 VanDerWaalsContact CG2-NE2 3.28Å; T138-H140 WeakPolarHBondContact CG2-NE2 3.36Å; T138-H140 PolarHBondContact O-CD2 3.14Å; H140-A300 WeakPolarHBondContact O-CB 3.39Å | ||
| 141 | S | 82.7 | Confident | 84 | Confident | 21 Ų | 21 | 42 Ų | 42 | 15% | 0.147 | 25% | 0.249 | C | C | . | . | trans | -123.5 | 146.4 | -171.2 | 67.4 | 0 | 0 | 0 | 0 | 112.6 | F117 E139 | F117-S141 WeakPolarHBondContact CD2-OG 3.27Å; F117-S141 WeakPolarHBondContact CE2-OG 3.44Å; E139-S141 WeakPolarHBondContact OE1-CB 3.36Å; E139-S141 PolarHBondContact OE1-N 3.25Å; E139-S141 PolarHBondContact OE1-OG 3.35Å | ||
| 142 | L | 78.9 | Confident | 83.5 | Confident | 26 Ų | 26 | 44.7 Ų | 44.7 | 14% | 0.136 | 26% | 0.263 | C | S | . | . | trans | -102.1 | 137.6 | 162.7 | -72.4 | 178.1 | 0 | 0 | 0 | 108.9 | T173 T174 N177 E299 A300 | L142-T173 HydrophobicContact CD1-CG2 3.95Å; L142-T173 HydrophobicContact CD2-CG2 4.1Å; L142-T174 HydrophobicContact CD2-CG2 4.49Å; L142-N177 HydrophobicContact CD2-CB 3.76Å; L142-E299 VanDerWaalsContact CD1-C 3.46Å; L142-E299 WeakPolarHBondContact CD1-O 3.48Å; L142-A300 HydrophobicContact CD1-CB 4.5Å; L142-A300 HydrophobicContact CG-CB 3.89Å | ||
| 143 | F | 73.8 | Confident | 83.2 | Confident | 53 Ų | 53 | 44.5 Ų | 44.5 | 23% | 0.232 | 25% | 0.25 | C | C | . | . | trans | -134.7 | 149 | 175.2 | -144.8 | -130.2 | 0 | 0 | 0 | 110.4 | F117 A150 M153 N177 | F117-F143 HydrophobicContact CE1-CE2 4.18Å; F117-F143 HydrophobicContact CE1-CZ 4.24Å; F117-F143 HydrophobicContact CE2-CD2 4.28Å; F117-F143 HydrophobicContact CZ-CD1 4.34Å; F117-F143 AromaticContact CZ-CD2 3.55Å; F117-F143 HydrophobicContact CZ-CD2 3.55Å; F117-F143 HydrophobicContact CZ-CE1 4.33Å; F117-F143 AromaticContact CZ-CE2 3.61Å; F117-F143 HydrophobicContact CZ-CE2 3.61Å; F117-F143 AromaticContact CZ-CG 3.95Å; F117-F143 HydrophobicContact CZ-CG 3.95Å; F117-F143 HydrophobicContact CZ-CZ 4.02Å; F143-A150 HydrophobicContact CD1-CB 3.87Å; F143-A150 VanDerWaalsContact CE1-CA 3.4Å; F143-A150 HydrophobicContact CE1-CB 3.8Å; F143-M153 HydrophobicContact CD1-CB 4.38Å; F143-M153 HydrophobicContact CD1-CG 4.44Å; F143-M153 HydrophobicContact CE1-CB 4.03Å; F143-M153 HydrophobicContact CE1-CG 4.34Å; F143-N177 PolarHBondContact O-ND2 3.07Å | ||
| 144 | G | 66.9 | Low | 82.9 | Confident | 38 Ų | 38 | 44.8 Ų | 44.8 | 39% | 0.392 | 25% | 0.251 | S | S | . | . | trans | -78.6 | -172 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A150 | G144-A150 VanDerWaalsContact O-CB 3.25Å; G144-A150 WeakPolarHBondContact O-CB 3.43Å | ||
| 145 | F | 71.7 | Confident | 82.4 | Confident | 108 Ų | 108 | 47.1 Ų | 47.1 | 47% | 0.474 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -117.2 | -3.9 | 175.4 | -66 | -94.5 | 0 | 0 | 0 | 112.8 | L180 R181 | F145-L180 HydrophobicContact CZ-CB 3.88Å; F145-R181 HydrophobicContact CD1-CG 4.19Å; F145-R181 HydrophobicContact CE1-CB 4.36Å; F145-R181 HydrophobicContact CE1-CG 3.37Å; F145-R181 HydrophobicContact CE2-CG 4.06Å; F145-R181 HydrophobicContact CZ-CB 4.49Å; F145-R181 HydrophobicContact CZ-CG 3.29Å |
| 146 | S | 63.2 | Low | 81.9 | Confident | 118 Ų | 118 | 49.7 Ų | 49.7 | 83% | 0.825 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -93.4 | -20.5 | -158.4 | 49.4 | 0 | 0 | 0 | 0 | 115.5 | ||
| 147 | D | 70.7 | Confident | 81.5 | Confident | 74 Ų | 74 | 49.7 Ų | 49.7 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -107.7 | 160.5 | -178.5 | 67.6 | 22.2 | 0 | 0 | 0 | 112.9 | S149 A150 I151 | D147-S149 PolarHBondContact O-N 2.91Å; D147-S149 PolarHBondContact OD1-N 3.28Å; D147-S149 PolarHBondContact OD1-OG 3.02Å; D147-S149 PolarHBondContact OD2-OG 2.72Å; D147-A150 WeakPolarHBondContact O-CA 3.42Å; D147-A150 WeakPolarHBondContact O-CB 3.44Å; D147-A150 PolarHBondContact O-N 3.42Å; D147-A150 WeakPolarHBondContact OD1-CA 3.38Å; D147-A150 WeakPolarHBondContact OD1-CB 3.49Å; D147-A150 PolarHBondContact OD1-N 3.29Å; D147-I151 PolarHBondContact O-N 3.07Å; D147-I151 VanDerWaalsContact O-N 3.1Å |
| 148 | L | 69.6 | Low | 81.1 | Confident | 130 Ų | 130 | 50.4 Ų | 50.4 | 68% | 0.681 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -58.5 | -36.5 | -178.8 | -179.1 | 61.8 | 0 | 0 | 0 | 111.6 | A150 I151 I152 | L148-A150 VanDerWaalsContact C-N 3.33Å; L148-A150 PolarHBondContact O-N 3.13Å; L148-I151 PolarHBondContact O-N 3.3Å; L148-I152 HydrophobicContact CD1-CD1 4.31Å; L148-I152 HydrophobicContact CG-CD1 4.1Å; L148-I152 WeakPolarHBondContact O-CG1 3.37Å; L148-I152 PolarHBondContact O-N 3.22Å; L148-I152 VanDerWaalsContact O-N 3.1Å |
| 149 | S | 76 | Confident | 80.7 | Confident | 62 Ų | 62 | 50.9 Ų | 50.9 | 43% | 0.434 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 173.8 | 34.2 | 0 | 0 | 0 | 0 | 112.6 | D147 M153 | D147-S149 PolarHBondContact O-N 2.91Å; D147-S149 PolarHBondContact OD1-N 3.28Å; D147-S149 PolarHBondContact OD1-OG 3.02Å; D147-S149 PolarHBondContact OD2-OG 2.72Å; S149-M153 WeakPolarHBondContact O-CB 3.42Å; S149-M153 PolarHBondContact O-N 3.19Å |
| 150 | A | 78.4 | Confident | 80.5 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F143 G144 D147 L148 I152 M153 N154 | F143-A150 HydrophobicContact CD1-CB 3.87Å; F143-A150 VanDerWaalsContact CE1-CA 3.4Å; F143-A150 HydrophobicContact CE1-CB 3.8Å; G144-A150 VanDerWaalsContact O-CB 3.25Å; G144-A150 WeakPolarHBondContact O-CB 3.43Å; D147-A150 WeakPolarHBondContact O-CA 3.42Å; D147-A150 WeakPolarHBondContact O-CB 3.44Å; D147-A150 PolarHBondContact O-N 3.42Å; D147-A150 WeakPolarHBondContact OD1-CA 3.38Å; D147-A150 WeakPolarHBondContact OD1-CB 3.49Å; D147-A150 PolarHBondContact OD1-N 3.29Å; L148-A150 VanDerWaalsContact C-N 3.33Å; L148-A150 PolarHBondContact O-N 3.13Å; A150-I152 VanDerWaalsContact C-N 3.34Å; A150-I152 PolarHBondContact O-N 3.13Å; A150-M153 PolarHBondContact O-N 3.39Å; A150-N154 VanDerWaalsContact O-CB 3.27Å; A150-N154 WeakPolarHBondContact O-CB 3.41Å; A150-N154 PolarHBondContact O-N 2.8Å; A150-N154 PolarHBondContact O-ND2 2.69Å; A150-N154 PolarHBondContact O-OD1 3.24Å |
| 151 | I | 81.1 | Confident | 80.5 | Confident | 95 Ų | 95 | 50.3 Ų | 50.3 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.4 | -47.8 | 178.6 | -61.9 | 171.2 | 0 | 0 | 0 | 110.6 | D147 L148 N154 K155 | D147-I151 PolarHBondContact O-N 3.07Å; D147-I151 VanDerWaalsContact O-N 3.1Å; L148-I151 PolarHBondContact O-N 3.3Å; I151-N154 PolarHBondContact O-N 2.87Å; I151-K155 PolarHBondContact O-N 3.01Å |
| 152 | I | 83.2 | Confident | 80.9 | Confident | 100 Ų | 100 | 50.1 Ų | 50.1 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 178.9 | -65.4 | 169 | 0 | 0 | 0 | 110.5 | L148 A150 N154 K155 V156 | L148-I152 HydrophobicContact CD1-CD1 4.31Å; L148-I152 HydrophobicContact CG-CD1 4.1Å; L148-I152 WeakPolarHBondContact O-CG1 3.37Å; L148-I152 PolarHBondContact O-N 3.22Å; L148-I152 VanDerWaalsContact O-N 3.1Å; A150-I152 VanDerWaalsContact C-N 3.34Å; A150-I152 PolarHBondContact O-N 3.13Å; I152-N154 VanDerWaalsContact C-N 3.3Å; I152-N154 PolarHBondContact O-N 2.98Å; I152-K155 PolarHBondContact O-N 3.46Å; I152-K155 VanDerWaalsContact O-N 3.13Å; I152-V156 WeakPolarHBondContact O-CG2 3.19Å; I152-V156 PolarHBondContact O-N 2.77Å |
| 153 | M | 84.1 | Confident | 81.5 | Confident | 45 Ų | 45 | 48.9 Ų | 48.9 | 22% | 0.222 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.2 | -36.1 | -179.3 | -172.1 | 57.9 | 65.5 | 0 | 0 | 112 | I116 F117 F143 S149 A150 K155 V156 M157 | I116-M153 HydrophobicContact CG1-SD 4.07Å; I116-M153 HydrophobicContact CG2-SD 4.42Å; F117-M153 HydrophobicContact CD1-CE 3.92Å; F117-M153 HydrophobicContact CE1-CE 3.82Å; F117-M153 HydrophobicContact CE1-CG 4.24Å; F117-M153 HydrophobicContact CE1-SD 4.38Å; F143-M153 HydrophobicContact CD1-CB 4.38Å; F143-M153 HydrophobicContact CD1-CG 4.44Å; F143-M153 HydrophobicContact CE1-CB 4.03Å; F143-M153 HydrophobicContact CE1-CG 4.34Å; S149-M153 WeakPolarHBondContact O-CB 3.42Å; S149-M153 PolarHBondContact O-N 3.19Å; A150-M153 PolarHBondContact O-N 3.39Å; M153-K155 VanDerWaalsContact C-N 3.33Å; M153-K155 PolarHBondContact O-N 2.86Å; M153-V156 PolarHBondContact O-N 2.88Å; M153-M157 VanDerWaalsContact O-CB 3.31Å; M153-M157 WeakPolarHBondContact O-CB 3.34Å; M153-M157 PolarHBondContact O-N 3.47Å |
| 154 | N | 86.5 | Confident | 82.5 | Confident | 15 Ų | 15 | 46.4 Ų | 46.4 | 8% | 0.08 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -40.8 | 175.3 | -65.6 | -6.1 | 0 | 0 | 0 | 110.7 | A150 I151 I152 M157 E158 R181 | A150-N154 VanDerWaalsContact O-CB 3.27Å; A150-N154 WeakPolarHBondContact O-CB 3.41Å; A150-N154 PolarHBondContact O-N 2.8Å; A150-N154 PolarHBondContact O-ND2 2.69Å; A150-N154 PolarHBondContact O-OD1 3.24Å; I151-N154 PolarHBondContact O-N 2.87Å; I152-N154 VanDerWaalsContact C-N 3.3Å; I152-N154 PolarHBondContact O-N 2.98Å; N154-M157 PolarHBondContact O-N 3.13Å; N154-E158 WeakPolarHBondContact O-CG 3.24Å; N154-E158 PolarHBondContact O-N 2.56Å; N154-R181 PolarHBondContact OD1-NE 3.39Å; N154-R181 PolarHBondContact OD1-NH2 3.4Å |
| 155 | K | 86 | Confident | 83.9 | Confident | 73 Ų | 73 | 45.1 Ų | 45.1 | 32% | 0.317 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.2 | -38.4 | 174.9 | -72.3 | -57.6 | -173.4 | -176.4 | 0 | 113.6 | I151 I152 M153 M157 E158 G159 L460 | I151-K155 PolarHBondContact O-N 3.01Å; I152-K155 PolarHBondContact O-N 3.46Å; I152-K155 VanDerWaalsContact O-N 3.13Å; M153-K155 VanDerWaalsContact C-N 3.33Å; M153-K155 PolarHBondContact O-N 2.86Å; K155-M157 VanDerWaalsContact C-N 3.35Å; K155-E158 VanDerWaalsContact CD-OE2 3.32Å; K155-E158 WeakPolarHBondContact CD-OE2 3.17Å; K155-E158 IonicContact NZ-OE1 3.92Å; K155-E158 IonicContact NZ-OE2 3.76Å; K155-E158 PolarHBondContact NZ-OE2 2.87Å; K155-G159 PolarHBondContact O-N 3.06Å; K155-G159 VanDerWaalsContact O-N 3.1Å; K155-L460 PolarHBondContact NZ-O 3.22Å |
| 156 | V | 86.4 | Confident | 85.1 | Confident | 54 Ų | 54 | 40.1 Ų | 40.1 | 33% | 0.327 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.7 | -46.7 | 171.6 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | I152 M153 G159 V160 | I152-V156 WeakPolarHBondContact O-CG2 3.19Å; I152-V156 PolarHBondContact O-N 2.77Å; M153-V156 PolarHBondContact O-N 2.88Å; V156-G159 PolarHBondContact O-N 2.92Å; V156-V160 HydrophobicContact CG1-CG2 4.13Å; V156-V160 VanDerWaalsContact O-CG2 3.3Å; V156-V160 WeakPolarHBondContact O-CG2 3.35Å; V156-V160 PolarHBondContact O-N 3.15Å |
| 157 | M | 89.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60 | -50.2 | 177.9 | -173.7 | -176.7 | -81.9 | 0 | 0 | 112.2 | I116 M153 N154 K155 G159 V160 F161 R181 A182 | I116-M157 HydrophobicContact CB-CE 3.71Å; I116-M157 HydrophobicContact CD1-CB 3.93Å; I116-M157 HydrophobicContact CD1-CE 4.43Å; I116-M157 HydrophobicContact CD1-CG 3.97Å; I116-M157 HydrophobicContact CG1-CB 4.01Å; I116-M157 HydrophobicContact CG1-CE 3.77Å; I116-M157 HydrophobicContact CG1-CG 4.18Å; I116-M157 HydrophobicContact CG2-CE 3.56Å; M153-M157 VanDerWaalsContact O-CB 3.31Å; M153-M157 WeakPolarHBondContact O-CB 3.34Å; M153-M157 PolarHBondContact O-N 3.47Å; N154-M157 PolarHBondContact O-N 3.13Å; K155-M157 VanDerWaalsContact C-N 3.35Å; M157-G159 PolarHBondContact O-N 3.15Å; M157-V160 PolarHBondContact O-N 3.45Å; M157-F161 HydrophobicContact CG-CD1 4.05Å; M157-F161 HydrophobicContact CG-CD2 4.18Å; M157-F161 HydrophobicContact CG-CE1 3.94Å; M157-F161 HydrophobicContact CG-CE2 4.06Å; M157-F161 HydrophobicContact CG-CG 4.18Å; M157-F161 HydrophobicContact CG-CZ 3.93Å; M157-F161 VanDerWaalsContact O-CB 3.26Å; M157-F161 WeakPolarHBondContact O-CB 3.33Å; M157-F161 WeakPolarHBondContact O-CD1 3.49Å; M157-F161 WeakPolarHBondContact O-CG 3.42Å; M157-F161 PolarHBondContact O-N 2.66Å; M157-F161 HydrophobicContact SD-CE2 4.36Å; M157-F161 HydrophobicContact SD-CZ 4.41Å; M157-R181 HydrophobicContact SD-CB 4.1Å; M157-A182 HydrophobicContact CG-CB 3.76Å; M157-A182 HydrophobicContact SD-CB 3.86Å |
| 158 | E | 89.7 | Confident | 88 | Confident | 16 Ų | 16 | 31.1 Ų | 31.1 | 8% | 0.075 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -52.1 | -46 | 174.7 | -74.5 | -179.1 | -178.9 | 0 | 0 | 110.6 | N154 K155 T162 R181 K183 L460 | N154-E158 WeakPolarHBondContact O-CG 3.24Å; N154-E158 PolarHBondContact O-N 2.56Å; K155-E158 VanDerWaalsContact CD-OE2 3.32Å; K155-E158 WeakPolarHBondContact CD-OE2 3.17Å; K155-E158 IonicContact NZ-OE1 3.92Å; K155-E158 IonicContact NZ-OE2 3.76Å; K155-E158 PolarHBondContact NZ-OE2 2.87Å; E158-T162 VanDerWaalsContact O-CG2 3.26Å; E158-T162 WeakPolarHBondContact O-CG2 3.49Å; E158-T162 PolarHBondContact O-N 2.81Å; E158-R181 WeakPolarHBondContact CG-O 3.35Å; E158-K183 VanDerWaalsContact OE1-CE 3.23Å; E158-K183 WeakPolarHBondContact OE1-CE 3.43Å; E158-K183 IonicContact OE1-NZ 2.67Å; E158-L460 HydrophobicContact CB-CD2 3.74Å |
| 159 | G | 89.8 | Confident | 89.4 | Confident | 11 Ų | 11 | 24.9 Ų | 24.9 | 11% | 0.113 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.3 | -51 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K155 V156 M157 F161 T162 | K155-G159 PolarHBondContact O-N 3.06Å; K155-G159 VanDerWaalsContact O-N 3.1Å; V156-G159 PolarHBondContact O-N 2.92Å; M157-G159 PolarHBondContact O-N 3.15Å; G159-F161 VanDerWaalsContact C-N 3.34Å; G159-F161 PolarHBondContact O-N 3.24Å; G159-T162 PolarHBondContact O-N 2.94Å; G159-T162 PolarHBondContact O-OG1 2.92Å |
| 160 | V | 91.3 | Very high | 90.3 | Very high | 14 Ų | 14 | 22 Ų | 22 | 9% | 0.085 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | -179.8 | 173 | 0 | 0 | 0 | 0 | 110.6 | I116 C122 V156 M157 T162 A163 | I116-V160 HydrophobicContact CD1-CB 4.45Å; C122-V160 HydrophobicContact CB-CG1 4Å; C122-V160 HydrophobicContact CB-CG2 3.84Å; V156-V160 HydrophobicContact CG1-CG2 4.13Å; V156-V160 VanDerWaalsContact O-CG2 3.3Å; V156-V160 WeakPolarHBondContact O-CG2 3.35Å; V156-V160 PolarHBondContact O-N 3.15Å; M157-V160 PolarHBondContact O-N 3.45Å; V160-T162 PolarHBondContact O-N 3.33Å; V160-A163 WeakPolarHBondContact O-CB 3.31Å; V160-A163 PolarHBondContact O-N 3.33Å |
| 161 | F | 92.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.009 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -71 | -16.5 | -174.6 | -78.3 | 26.5 | 0 | 0 | 0 | 112.6 | I116 H137 M157 G159 A163 V164 V167 V178 A182 Y184 | I116-F161 HydrophobicContact CD1-CD1 4.35Å; I116-F161 HydrophobicContact CD1-CE1 3.78Å; H137-F161 AromaticContact CD2-CE1 3.77Å; H137-F161 AromaticContact CD2-CZ 3.57Å; H137-F161 AromaticContact NE2-CE1 4Å; M157-F161 HydrophobicContact CG-CD1 4.05Å; M157-F161 HydrophobicContact CG-CD2 4.18Å; M157-F161 HydrophobicContact CG-CE1 3.94Å; M157-F161 HydrophobicContact CG-CE2 4.06Å; M157-F161 HydrophobicContact CG-CG 4.18Å; M157-F161 HydrophobicContact CG-CZ 3.93Å; M157-F161 VanDerWaalsContact O-CB 3.26Å; M157-F161 WeakPolarHBondContact O-CB 3.33Å; M157-F161 WeakPolarHBondContact O-CD1 3.49Å; M157-F161 WeakPolarHBondContact O-CG 3.42Å; M157-F161 PolarHBondContact O-N 2.66Å; M157-F161 HydrophobicContact SD-CE2 4.36Å; M157-F161 HydrophobicContact SD-CZ 4.41Å; G159-F161 VanDerWaalsContact C-N 3.34Å; G159-F161 PolarHBondContact O-N 3.24Å; F161-A163 PolarHBondContact O-N 2.94Å; F161-V164 HydrophobicContact CD1-CG2 4.15Å; F161-V164 PolarHBondContact O-N 3.44Å; F161-V164 VanDerWaalsContact O-N 3.07Å; F161-V167 HydrophobicContact CD2-CG2 4.01Å; F161-V167 HydrophobicContact CE2-CG1 4.29Å; F161-V167 HydrophobicContact CE2-CG2 3.83Å; F161-V167 HydrophobicContact CZ-CG2 4.48Å; F161-V178 HydrophobicContact CD2-CG1 4.28Å; F161-V178 HydrophobicContact CE2-CG1 3.68Å; F161-A182 HydrophobicContact CB-CB 4.44Å; F161-A182 HydrophobicContact CD2-CB 3.64Å; F161-A182 HydrophobicContact CE2-CB 4.23Å; F161-A182 HydrophobicContact CG-CB 4.24Å; F161-Y184 HydrophobicContact CB-CD2 3.88Å; F161-Y184 HydrophobicContact CB-CE2 4.18Å; F161-Y184 HydrophobicContact CD2-CD2 4.28Å; F161-Y184 HydrophobicContact CD2-CG 4.3Å; F161-Y184 VanDerWaalsContact O-CE2 3.3Å; F161-Y184 WeakPolarHBondContact O-CE2 3.46Å |
| 162 | T | 90.6 | Very high | 91.9 | Very high | 17 Ų | 17 | 23 Ų | 23 | 10% | 0.104 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.6 | 167.8 | 69 | 0 | 0 | 0 | 0 | 113.4 | E158 G159 V160 R456 L457 L460 | E158-T162 VanDerWaalsContact O-CG2 3.26Å; E158-T162 WeakPolarHBondContact O-CG2 3.49Å; E158-T162 PolarHBondContact O-N 2.81Å; G159-T162 PolarHBondContact O-N 2.94Å; G159-T162 PolarHBondContact O-OG1 2.92Å; V160-T162 PolarHBondContact O-N 3.33Å; T162-R456 HydrophobicContact CG2-CB 4.23Å; T162-R456 PolarHBondContact O-NH1 3.01Å; T162-L457 HydrophobicContact CG2-CD2 3.93Å; T162-L457 VanDerWaalsContact OG1-CD2 3.24Å; T162-L457 WeakPolarHBondContact OG1-CD2 3.47Å; T162-L460 HydrophobicContact CG2-CD1 4.48Å |
| 163 | A | 91.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.008 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -8.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | V126 Q129 T135 V160 F161 | V126-A163 HydrophobicContact CG2-CB 4.34Å; Q129-A163 HydrophobicContact CB-CB 4.11Å; Q129-A163 HydrophobicContact CG-CB 4.32Å; T135-A163 PolarHBondContact OG1-O 3.49Å; V160-A163 WeakPolarHBondContact O-CB 3.31Å; V160-A163 PolarHBondContact O-N 3.33Å; F161-A163 PolarHBondContact O-N 2.94Å |
| 164 | V | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -86.2 | 135.9 | -179.8 | 176.9 | 0 | 0 | 0 | 0 | 110.2 | A125 T135 H137 F161 Q166 V167 Y184 R188 | A125-V164 HydrophobicContact CB-CG2 4.27Å; T135-V164 WeakPolarHBondContact OG1-CA 3.25Å; H137-V164 HydrophobicContact CB-CG1 3.93Å; H137-V164 HydrophobicContact CB-CG2 4.21Å; F161-V164 HydrophobicContact CD1-CG2 4.15Å; F161-V164 PolarHBondContact O-N 3.44Å; F161-V164 VanDerWaalsContact O-N 3.07Å; V164-Q166 VanDerWaalsContact CG1-O 3.24Å; V164-Q166 WeakPolarHBondContact CG1-O 3.47Å; V164-V167 HydrophobicContact CG1-CG2 3.81Å; V164-Y184 PolarHBondContact O-OH 3.15Å; V164-R188 PolarHBondContact O-NH2 3.45Å | ||
| 165 | D | 95.3 | Very high | 93.4 | Very high | 11 Ų | 11 | 19.9 Ų | 19.9 | 6% | 0.059 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -83.3 | -46.8 | 178.8 | -68.5 | -68.6 | 0 | 0 | 0 | 111.9 | R134 T135 Y184 R188 A442 | R134-D165 WeakPolarHBondContact CA-OD2 3.38Å; T135-D165 PolarHBondContact N-OD2 2.86Å; T135-D165 WeakPolarHBondContact O-CA 3.39Å; T135-D165 VanDerWaalsContact O-CB 3.25Å; T135-D165 WeakPolarHBondContact O-CB 3.41Å; T135-D165 PolarHBondContact O-N 3.48Å; T135-D165 PolarHBondContact OG1-N 2.91Å; T135-D165 PolarHBondContact OG1-OD2 3.14Å; D165-Y184 PolarHBondContact O-OH 3.15Å; D165-R188 VanDerWaalsContact C-NH2 3.31Å; D165-R188 VanDerWaalsContact O-CZ 3.24Å; D165-R188 PolarHBondContact O-NE 3.11Å; D165-R188 PolarHBondContact O-NH2 3.24Å; D165-A442 HydrophobicContact CB-CB 4.18Å |
| 166 | Q | 97 | Very high | 93.8 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 1% | 0.014 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 144.4 | -178.9 | -55.3 | -65.9 | -1.2 | 0 | 0 | 110.5 | T135 V136 H137 V164 R188 F190 V438 A441 A442 | T135-Q166 PolarHBondContact O-N 3.16Å; V136-Q166 VanDerWaalsContact CA-O 3.29Å; V136-Q166 WeakPolarHBondContact CA-O 3.48Å; V136-Q166 HydrophobicContact CG2-CB 4.35Å; H137-Q166 PolarHBondContact N-O 2.68Å; V164-Q166 VanDerWaalsContact CG1-O 3.24Å; V164-Q166 WeakPolarHBondContact CG1-O 3.47Å; Q166-R188 PolarHBondContact OE1-O 3.25Å; Q166-F190 HydrophobicContact CB-CE2 4.39Å; Q166-F190 HydrophobicContact CG-CE2 4.41Å; Q166-V438 HydrophobicContact CB-CG1 3.65Å; Q166-V438 HydrophobicContact CG-CG1 4.24Å; Q166-A441 PolarHBondContact NE2-O 3.47Å; Q166-A442 HydrophobicContact CG-CB 3.77Å |
| 167 | V | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 139 | 177.3 | 178.9 | 0 | 0 | 0 | 0 | 109.7 | H137 F161 V164 V178 Y184 R188 V189 F190 | H137-V167 CarbonylContact O-C 3.51Å; H137-V167 VanDerWaalsContact O-CA 3.31Å; H137-V167 WeakPolarHBondContact O-CA 3.31Å; H137-V167 WeakPolarHBondContact O-CG1 3.31Å; F161-V167 HydrophobicContact CD2-CG2 4.01Å; F161-V167 HydrophobicContact CE2-CG1 4.29Å; F161-V167 HydrophobicContact CE2-CG2 3.83Å; F161-V167 HydrophobicContact CZ-CG2 4.48Å; V164-V167 HydrophobicContact CG1-CG2 3.81Å; V167-V178 HydrophobicContact CG1-CG1 4.25Å; V167-Y184 HydrophobicContact CB-CE1 4.29Å; V167-Y184 HydrophobicContact CG2-CD1 4.05Å; V167-Y184 HydrophobicContact CG2-CE1 3.61Å; V167-R188 PolarHBondContact N-O 3.12Å; V167-V189 HydrophobicContact CB-CG1 4.34Å; V167-V189 HydrophobicContact CB-CG2 4.31Å; V167-V189 HydrophobicContact CG1-CG1 4.3Å; V167-V189 CarbonylContact O-C 3.27Å; V167-V189 WeakPolarHBondContact O-CA 3.06Å; V167-F190 PolarHBondContact O-N 2.96Å |
| 168 | I | 98.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.015 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.3 | 170.2 | -61.7 | 168.9 | 0 | 0 | 0 | 107.8 | V136 H137 T138 E139 F190 I192 T435 V438 | V136-I168 HydrophobicContact CG1-CD1 3.75Å; V136-I168 HydrophobicContact CG1-CG1 4.08Å; H137-I168 PolarHBondContact O-N 3.48Å; T138-I168 CarbonylContact C-O 3.51Å; T138-I168 VanDerWaalsContact CA-O 3.3Å; T138-I168 WeakPolarHBondContact CA-O 3.44Å; T138-I168 HydrophobicContact CG2-CB 4.26Å; T138-I168 HydrophobicContact CG2-CG2 4.1Å; E139-I168 PolarHBondContact N-O 3.04Å; I168-F190 CarbonylContact C-O 3.59Å; I168-F190 WeakPolarHBondContact CA-O 3.48Å; I168-I192 HydrophobicContact CD1-CD1 4.07Å; I168-I192 HydrophobicContact CG1-CD1 4.21Å; I168-I192 HydrophobicContact CG2-CB 3.74Å; I168-I192 HydrophobicContact CG2-CD1 4.04Å; I168-I192 HydrophobicContact CG2-CG1 3.99Å; I168-T435 HydrophobicContact CD1-CG2 3.94Å; I168-V438 HydrophobicContact CD1-CB 4.25Å; I168-V438 HydrophobicContact CD1-CG1 4.13Å; I168-V438 HydrophobicContact CD1-CG2 4.26Å; I168-V438 HydrophobicContact CG1-CB 4.43Å; I168-V438 HydrophobicContact CG1-CG1 3.99Å; I168-V438 HydrophobicContact CG1-CG2 4.17Å |
| 169 | C | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 142 | 175.3 | -72.6 | 0 | 0 | 0 | 0 | 109.2 | S171 T174 K175 V189 F190 V191 I192 | C169-S171 VanDerWaalsContact C-N 3.27Å; C169-S171 PolarHBondContact O-N 3.07Å; C169-T174 HydrophobicContact CB-CG2 3.91Å; C169-K175 HydrophobicContact CB-CB 4Å; C169-V189 HydrophobicContact CB-CG1 4.26Å; C169-V189 WeakPolarHBondContact SG-CG1 3.44Å; C169-F190 PolarHBondContact N-O 2.85Å; C169-V191 CarbonylContact O-C 3.46Å; C169-V191 VanDerWaalsContact O-CA 3.28Å; C169-V191 WeakPolarHBondContact O-CA 3.35Å; C169-I192 PolarHBondContact O-N 3.34Å |
| 170 | V | 96.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -78.5 | -8.4 | -176.7 | -63.5 | 0 | 0 | 0 | 0 | 114.2 | T138 P193 A300 F301 | T138-V170 HydrophobicContact CG2-CG1 4.43Å; V170-P193 WeakPolarHBondContact O-CA 3.45Å; V170-A300 HydrophobicContact CG2-CB 3.66Å; V170-F301 HydrophobicContact CB-CB 3.9Å; V170-F301 HydrophobicContact CB-CG 4.44Å; V170-F301 HydrophobicContact CG2-CB 3.63Å; V170-F301 VanDerWaalsContact O-CD2 3.24Å; V170-F301 WeakPolarHBondContact O-CD2 3.31Å |
| 171 | S | 96 | Very high | 94.6 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 3% | 0.028 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -157.7 | 164.7 | 177 | 52.5 | 0 | 0 | 0 | 0 | 110.6 | C169 T173 T174 K175 A300 | C169-S171 VanDerWaalsContact C-N 3.27Å; C169-S171 PolarHBondContact O-N 3.07Å; S171-T173 VanDerWaalsContact C-N 3.31Å; S171-T174 PolarHBondContact O-N 3.48Å; S171-T174 PolarHBondContact OG-N 2.96Å; S171-T174 PolarHBondContact OG-OG1 3.04Å; S171-K175 PolarHBondContact O-N 3.37Å; S171-A300 WeakPolarHBondContact CB-O 3.39Å; S171-A300 PolarHBondContact OG-O 3.18Å |
| 172 | H | 96.6 | Very high | 94.5 | Very high | 112 Ų | 112 | 26.4 Ų | 26.4 | 52% | 0.519 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -64.4 | -38.2 | 173.1 | -69.5 | -91.8 | 0 | 0 | 0 | 111.1 | T174 K175 E176 E325 | H172-T174 PolarHBondContact O-N 3.19Å; H172-K175 CarbonylContact O-C 3.54Å; H172-K175 WeakPolarHBondContact O-CA 3.44Å; H172-K175 WeakPolarHBondContact O-CB 3.19Å; H172-K175 PolarHBondContact O-N 2.97Å; H172-E176 PolarHBondContact O-N 3.13Å; H172-E325 WeakPolarHBondContact CA-OE2 3.29Å; H172-E325 WeakPolarHBondContact CB-OE2 3.13Å; H172-E325 IonicContact CD2-OE2 3.88Å; H172-E325 PolarHBondContact CD2-OE2 3.37Å; H172-E325 IonicContact CG-OE2 3.01Å; H172-E325 PolarHBondContact N-OE2 3.14Å |
| 173 | T | 94.8 | Very high | 94.4 | Very high | 40 Ų | 40 | 33 Ų | 33 | 25% | 0.245 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.2 | -41.5 | 171.2 | -62.8 | 0 | 0 | 0 | 0 | 111.9 | L142 S171 E176 N177 G321 E325 | L142-T173 HydrophobicContact CD1-CG2 3.95Å; L142-T173 HydrophobicContact CD2-CG2 4.1Å; S171-T173 VanDerWaalsContact C-N 3.31Å; T173-E176 PolarHBondContact O-N 3.43Å; T173-N177 WeakPolarHBondContact O-CB 3.44Å; T173-N177 PolarHBondContact O-N 3.05Å; T173-G321 PolarHBondContact OG1-O 3.18Å; T173-E325 VanDerWaalsContact CB-OE1 3.28Å; T173-E325 WeakPolarHBondContact CB-OE1 3.49Å; T173-E325 PolarHBondContact N-OE1 3.02Å; T173-E325 PolarHBondContact OG1-OE1 3.31Å |
| 174 | T | 94.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68 | -38.8 | 176.1 | -53.5 | 0 | 0 | 0 | 0 | 111.5 | E139 L142 C169 S171 H172 N177 V178 | E139-T174 HydrophobicContact CB-CG2 4.22Å; E139-T174 HydrophobicContact CG-CG2 4.11Å; L142-T174 HydrophobicContact CD2-CG2 4.49Å; C169-T174 HydrophobicContact CB-CG2 3.91Å; S171-T174 PolarHBondContact O-N 3.48Å; S171-T174 PolarHBondContact OG-N 2.96Å; S171-T174 PolarHBondContact OG-OG1 3.04Å; H172-T174 PolarHBondContact O-N 3.19Å; T174-N177 PolarHBondContact O-N 3.08Å; T174-V178 HydrophobicContact CG2-CG2 4.5Å; T174-V178 WeakPolarHBondContact O-CB 3.34Å; T174-V178 WeakPolarHBondContact O-CG2 3.33Å; T174-V178 PolarHBondContact O-N 3.11Å |
| 175 | K | 96.6 | Very high | 94.4 | Very high | 55 Ų | 55 | 37 Ų | 37 | 24% | 0.239 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60 | -48.6 | 174.3 | 167.7 | 166.9 | 179.9 | 163.3 | 0 | 111.5 | C169 S171 H172 N177 V178 V179 P186 V189 V191 | C169-K175 HydrophobicContact CB-CB 4Å; S171-K175 PolarHBondContact O-N 3.37Å; H172-K175 CarbonylContact O-C 3.54Å; H172-K175 WeakPolarHBondContact O-CA 3.44Å; H172-K175 WeakPolarHBondContact O-CB 3.19Å; H172-K175 PolarHBondContact O-N 2.97Å; K175-N177 VanDerWaalsContact C-N 3.35Å; K175-N177 PolarHBondContact O-N 3.21Å; K175-V178 PolarHBondContact O-N 3.24Å; K175-V179 HydrophobicContact CG-CG2 4.4Å; K175-V179 WeakPolarHBondContact O-CB 3.33Å; K175-V179 VanDerWaalsContact O-CG2 3.28Å; K175-V179 WeakPolarHBondContact O-CG2 3.4Å; K175-V179 PolarHBondContact O-N 2.84Å; K175-P186 WeakPolarHBondContact CE-O 3.48Å; K175-P186 PolarHBondContact NZ-O 3.01Å; K175-V189 HydrophobicContact CB-CG1 3.93Å; K175-V189 HydrophobicContact CD-CB 4.11Å; K175-V189 HydrophobicContact CD-CG1 3.97Å; K175-V189 WeakPolarHBondContact CE-O 3.39Å; K175-V189 HydrophobicContact CG-CB 4.07Å; K175-V189 HydrophobicContact CG-CG1 3.64Å; K175-V189 PolarHBondContact NZ-O 3.15Å; K175-V191 HydrophobicContact CB-CG2 3.81Å; K175-V191 HydrophobicContact CD-CG2 3.79Å; K175-V191 HydrophobicContact CG-CG2 4.42Å |
| 176 | E | 95.2 | Very high | 94.4 | Very high | 127 Ų | 127 | 39.3 Ų | 39.3 | 59% | 0.593 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -60.4 | -45 | 176.5 | -69.8 | 179 | -172.6 | 0 | 0 | 111.5 | H172 T173 V178 V179 L180 | H172-E176 PolarHBondContact O-N 3.13Å; T173-E176 PolarHBondContact O-N 3.43Å; E176-V178 PolarHBondContact O-N 2.96Å; E176-V179 PolarHBondContact O-N 3.34Å; E176-L180 WeakPolarHBondContact O-CB 3.18Å; E176-L180 VanDerWaalsContact O-CG 3.3Å; E176-L180 WeakPolarHBondContact O-CG 3.46Å; E176-L180 PolarHBondContact O-N 3.22Å |
| 177 | N | 92.6 | Very high | 94.3 | Very high | 23 Ų | 23 | 45.7 Ų | 45.7 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.8 | -46.1 | 177 | -170.5 | -108.1 | 0 | 0 | 0 | 111.9 | L142 F143 T173 T174 K175 R181 | L142-N177 HydrophobicContact CD2-CB 3.76Å; F143-N177 PolarHBondContact O-ND2 3.07Å; T173-N177 WeakPolarHBondContact O-CB 3.44Å; T173-N177 PolarHBondContact O-N 3.05Å; T174-N177 PolarHBondContact O-N 3.08Å; K175-N177 VanDerWaalsContact C-N 3.35Å; K175-N177 PolarHBondContact O-N 3.21Å; N177-R181 VanDerWaalsContact CG-CD 3.5Å; N177-R181 WeakPolarHBondContact ND2-CD 3.4Å; N177-R181 VanDerWaalsContact O-CB 3.27Å; N177-R181 WeakPolarHBondContact O-CB 3.49Å; N177-R181 WeakPolarHBondContact O-CD 3.48Å; N177-R181 WeakPolarHBondContact O-CG 3.29Å; N177-R181 PolarHBondContact O-N 3.42Å; N177-R181 WeakPolarHBondContact OD1-CD 3.25Å; N177-R181 PolarHBondContact OD1-NH1 3.15Å; N177-R181 VanDerWaalsContact OD1-NH1 3.1Å |
| 178 | V | 93.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.7 | -49.4 | 178.2 | 161.9 | 0 | 0 | 0 | 0 | 111.6 | E139 F161 V167 T174 K175 E176 L180 R181 A182 | E139-V178 HydrophobicContact CB-CG2 4.09Å; E139-V178 HydrophobicContact CG-CG2 4Å; F161-V178 HydrophobicContact CD2-CG1 4.28Å; F161-V178 HydrophobicContact CE2-CG1 3.68Å; V167-V178 HydrophobicContact CG1-CG1 4.25Å; T174-V178 HydrophobicContact CG2-CG2 4.5Å; T174-V178 WeakPolarHBondContact O-CB 3.34Å; T174-V178 WeakPolarHBondContact O-CG2 3.33Å; T174-V178 PolarHBondContact O-N 3.11Å; K175-V178 PolarHBondContact O-N 3.24Å; E176-V178 PolarHBondContact O-N 2.96Å; V178-L180 VanDerWaalsContact C-N 3.25Å; V178-L180 PolarHBondContact O-N 2.84Å; V178-R181 PolarHBondContact O-N 2.62Å; V178-A182 VanDerWaalsContact O-CB 3.23Å; V178-A182 WeakPolarHBondContact O-CB 3.44Å; V178-A182 PolarHBondContact O-N 2.74Å |
| 179 | V | 94.8 | Very high | 94.2 | Very high | 33 Ų | 33 | 47.1 Ų | 47.1 | 20% | 0.2 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.9 | -44.4 | -180 | 165.4 | 0 | 0 | 0 | 0 | 110.4 | K175 E176 K183 Y184 P186 V189 | K175-V179 HydrophobicContact CG-CG2 4.4Å; K175-V179 WeakPolarHBondContact O-CB 3.33Å; K175-V179 VanDerWaalsContact O-CG2 3.28Å; K175-V179 WeakPolarHBondContact O-CG2 3.4Å; K175-V179 PolarHBondContact O-N 2.84Å; E176-V179 PolarHBondContact O-N 3.34Å; V179-K183 WeakPolarHBondContact O-CA 3.21Å; V179-K183 PolarHBondContact O-N 3.11Å; V179-Y184 PolarHBondContact O-N 2.8Å; V179-P186 HydrophobicContact CG1-CG 3.87Å; V179-P186 HydrophobicContact CG2-CB 4.22Å; V179-P186 HydrophobicContact CG2-CG 4.13Å; V179-V189 HydrophobicContact CG2-CG2 4.01Å |
| 180 | L | 92.2 | Very high | 94.2 | Very high | 116 Ų | 116 | 50.4 Ų | 50.4 | 61% | 0.607 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -70.7 | -46 | 179.6 | -68.9 | 173 | 0 | 0 | 0 | 112.9 | F145 E176 V178 | F145-L180 HydrophobicContact CZ-CB 3.88Å; E176-L180 WeakPolarHBondContact O-CB 3.18Å; E176-L180 VanDerWaalsContact O-CG 3.3Å; E176-L180 WeakPolarHBondContact O-CG 3.46Å; E176-L180 PolarHBondContact O-N 3.22Å; V178-L180 VanDerWaalsContact C-N 3.25Å; V178-L180 PolarHBondContact O-N 2.84Å |
| 181 | R | 89.3 | Confident | 94.3 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -76 | -35.9 | -173.8 | -70.1 | 172.2 | 63.9 | -144.5 | -9 | 113.5 | F145 N154 M157 E158 N177 V178 | F145-R181 HydrophobicContact CD1-CG 4.19Å; F145-R181 HydrophobicContact CE1-CB 4.36Å; F145-R181 HydrophobicContact CE1-CG 3.37Å; F145-R181 HydrophobicContact CE2-CG 4.06Å; F145-R181 HydrophobicContact CZ-CB 4.49Å; F145-R181 HydrophobicContact CZ-CG 3.29Å; N154-R181 PolarHBondContact OD1-NE 3.39Å; N154-R181 PolarHBondContact OD1-NH2 3.4Å; M157-R181 HydrophobicContact SD-CB 4.1Å; E158-R181 WeakPolarHBondContact CG-O 3.35Å; N177-R181 VanDerWaalsContact CG-CD 3.5Å; N177-R181 WeakPolarHBondContact ND2-CD 3.4Å; N177-R181 VanDerWaalsContact O-CB 3.27Å; N177-R181 WeakPolarHBondContact O-CB 3.49Å; N177-R181 WeakPolarHBondContact O-CD 3.48Å; N177-R181 WeakPolarHBondContact O-CG 3.29Å; N177-R181 PolarHBondContact O-N 3.42Å; N177-R181 WeakPolarHBondContact OD1-CD 3.25Å; N177-R181 PolarHBondContact OD1-NH1 3.15Å; N177-R181 VanDerWaalsContact OD1-NH1 3.1Å; V178-R181 PolarHBondContact O-N 2.62Å |
| 182 | A | 89.8 | Confident | 94.3 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -96.8 | -7.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | M157 F161 V178 Y184 | M157-A182 HydrophobicContact CG-CB 3.76Å; M157-A182 HydrophobicContact SD-CB 3.86Å; F161-A182 HydrophobicContact CB-CB 4.44Å; F161-A182 HydrophobicContact CD2-CB 3.64Å; F161-A182 HydrophobicContact CE2-CB 4.23Å; F161-A182 HydrophobicContact CG-CB 4.24Å; V178-A182 VanDerWaalsContact O-CB 3.23Å; V178-A182 WeakPolarHBondContact O-CB 3.44Å; V178-A182 PolarHBondContact O-N 2.74Å; A182-Y184 PolarHBondContact O-N 2.87Å |
| 183 | K | 88.7 | Confident | 94.3 | Very high | 155 Ų | 155 | 48.1 Ų | 48.1 | 67% | 0.674 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 39.6 | -170.5 | -57.1 | -179.5 | -177.2 | 178.7 | 0 | 111.7 | E158 V179 | E158-K183 VanDerWaalsContact OE1-CE 3.23Å; E158-K183 WeakPolarHBondContact OE1-CE 3.43Å; E158-K183 IonicContact OE1-NZ 2.67Å; V179-K183 WeakPolarHBondContact O-CA 3.21Å; V179-K183 PolarHBondContact O-N 3.11Å |
| 184 | Y | 92.2 | Very high | 94.3 | Very high | 15 Ų | 15 | 46.7 Ų | 46.7 | 6% | 0.059 | 24% | 0.236 | C | C | . | . | trans | -91.9 | 147.1 | -171.5 | -163.3 | -104.1 | 0 | 0 | 0 | 110.6 | F161 V164 D165 V167 V179 A182 P186 R188 V189 | F161-Y184 HydrophobicContact CB-CD2 3.88Å; F161-Y184 HydrophobicContact CB-CE2 4.18Å; F161-Y184 HydrophobicContact CD2-CD2 4.28Å; F161-Y184 HydrophobicContact CD2-CG 4.3Å; F161-Y184 VanDerWaalsContact O-CE2 3.3Å; F161-Y184 WeakPolarHBondContact O-CE2 3.46Å; V164-Y184 PolarHBondContact O-OH 3.15Å; D165-Y184 PolarHBondContact O-OH 3.15Å; V167-Y184 HydrophobicContact CB-CE1 4.29Å; V167-Y184 HydrophobicContact CG2-CD1 4.05Å; V167-Y184 HydrophobicContact CG2-CE1 3.61Å; V179-Y184 PolarHBondContact O-N 2.8Å; A182-Y184 PolarHBondContact O-N 2.87Å; Y184-P186 WeakPolarHBondContact O-CD 3.32Å; Y184-R188 HydrophobicContact CD1-CB 4.33Å; Y184-R188 HydrophobicContact CE1-CB 3.48Å; Y184-R188 VanDerWaalsContact CE1-CB 3.48Å; Y184-R188 PolarHBondContact OH-NE 2.78Å; Y184-R188 PolarHBondContact OH-NH2 2.88Å; Y184-V189 HydrophobicContact CD1-CG2 3.58Å; Y184-V189 HydrophobicContact CE1-CG2 4.11Å | ||
| 185 | D | 92.9 | Very high | 94.4 | Very high | 69 Ų | 69 | 46.8 Ų | 46.8 | 37% | 0.369 | 24% | 0.237 | S | C | . | . | trans | -61.7 | 117.9 | -178.1 | 176.9 | 6.5 | 0 | 0 | 0 | 111.2 | D187 R188 | D185-D187 PolarHBondContact O-N 2.92Å; D185-D187 VanDerWaalsContact O-N 3.15Å; D185-D187 PolarHBondContact OD1-N 3Å; D185-D187 VanDerWaalsContact OD1-N 3.08Å; D185-R188 HydrophobicContact CB-CB 4.38Å; D185-R188 HydrophobicContact CB-CG 4.14Å; D185-R188 PolarHBondContact O-N 2.91Å; D185-R188 WeakPolarHBondContact OD2-CD 3.48Å; D185-R188 WeakPolarHBondContact OD2-CG 3.33Å | ||
| 186 | P | 95.7 | Very high | 94.3 | Very high | 60 Ų | 60 | 44.5 Ų | 44.5 | 39% | 0.39 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -57.3 | -27.1 | -179.7 | -24 | 33.2 | 0 | 0 | 0 | 114.7 | K175 V179 Y184 R188 V189 | K175-P186 WeakPolarHBondContact CE-O 3.48Å; K175-P186 PolarHBondContact NZ-O 3.01Å; V179-P186 HydrophobicContact CG1-CG 3.87Å; V179-P186 HydrophobicContact CG2-CB 4.22Å; V179-P186 HydrophobicContact CG2-CG 4.13Å; Y184-P186 WeakPolarHBondContact O-CD 3.32Å; P186-R188 PolarHBondContact O-N 2.81Å; P186-V189 PolarHBondContact O-N 3.06Å |
| 187 | D | 95.5 | Very high | 94.2 | Very high | 137 Ų | 137 | 42.7 Ų | 42.7 | 73% | 0.733 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -75.2 | -10.5 | 179.1 | -69.1 | -20.4 | 0 | 0 | 0 | 112.5 | D185 | D185-D187 PolarHBondContact O-N 2.92Å; D185-D187 VanDerWaalsContact O-N 3.15Å; D185-D187 PolarHBondContact OD1-N 3Å; D185-D187 VanDerWaalsContact OD1-N 3.08Å |
| 188 | R | 95.2 | Very high | 94.2 | Very high | 30 Ų | 30 | 41.9 Ų | 41.9 | 11% | 0.113 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -105.6 | 8.3 | 175.9 | -59.9 | 174.5 | 70.3 | -158.9 | -0.3 | 112.4 | V164 D165 Q166 V167 Y184 D185 P186 | V164-R188 PolarHBondContact O-NH2 3.45Å; D165-R188 VanDerWaalsContact C-NH2 3.31Å; D165-R188 VanDerWaalsContact O-CZ 3.24Å; D165-R188 PolarHBondContact O-NE 3.11Å; D165-R188 PolarHBondContact O-NH2 3.24Å; Q166-R188 PolarHBondContact OE1-O 3.25Å; V167-R188 PolarHBondContact N-O 3.12Å; Y184-R188 HydrophobicContact CD1-CB 4.33Å; Y184-R188 HydrophobicContact CE1-CB 3.48Å; Y184-R188 VanDerWaalsContact CE1-CB 3.48Å; Y184-R188 PolarHBondContact OH-NE 2.78Å; Y184-R188 PolarHBondContact OH-NH2 2.88Å; D185-R188 HydrophobicContact CB-CB 4.38Å; D185-R188 HydrophobicContact CB-CG 4.14Å; D185-R188 PolarHBondContact O-N 2.91Å; D185-R188 WeakPolarHBondContact OD2-CD 3.48Å; D185-R188 WeakPolarHBondContact OD2-CG 3.33Å; P186-R188 PolarHBondContact O-N 2.81Å |
| 189 | V | 97.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 116.4 | 177.6 | -169 | 0 | 0 | 0 | 0 | 110.2 | V167 C169 K175 V179 Y184 P186 | V167-V189 HydrophobicContact CB-CG1 4.34Å; V167-V189 HydrophobicContact CB-CG2 4.31Å; V167-V189 HydrophobicContact CG1-CG1 4.3Å; V167-V189 CarbonylContact O-C 3.27Å; V167-V189 WeakPolarHBondContact O-CA 3.06Å; C169-V189 HydrophobicContact CB-CG1 4.26Å; C169-V189 WeakPolarHBondContact SG-CG1 3.44Å; K175-V189 HydrophobicContact CB-CG1 3.93Å; K175-V189 HydrophobicContact CD-CB 4.11Å; K175-V189 HydrophobicContact CD-CG1 3.97Å; K175-V189 WeakPolarHBondContact CE-O 3.39Å; K175-V189 HydrophobicContact CG-CB 4.07Å; K175-V189 HydrophobicContact CG-CG1 3.64Å; K175-V189 PolarHBondContact NZ-O 3.15Å; V179-V189 HydrophobicContact CG2-CG2 4.01Å; Y184-V189 HydrophobicContact CD1-CG2 3.58Å; Y184-V189 HydrophobicContact CE1-CG2 4.11Å; P186-V189 PolarHBondContact O-N 3.06Å |
| 190 | F | 98.1 | Very high | 94.3 | Very high | 70 Ų | 70 | 46.1 Ų | 46.1 | 31% | 0.307 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 147.4 | 177 | -63.5 | -93.4 | 0 | 0 | 0 | 110.1 | Q166 V167 I168 C169 V438 A441 | Q166-F190 HydrophobicContact CB-CE2 4.39Å; Q166-F190 HydrophobicContact CG-CE2 4.41Å; V167-F190 PolarHBondContact O-N 2.96Å; I168-F190 CarbonylContact C-O 3.59Å; I168-F190 WeakPolarHBondContact CA-O 3.48Å; C169-F190 PolarHBondContact N-O 2.85Å; F190-V438 HydrophobicContact CB-CG2 3.94Å; F190-V438 HydrophobicContact CD1-CG2 4.09Å; F190-V438 HydrophobicContact CD2-CG1 3.92Å; F190-V438 HydrophobicContact CD2-CG2 3.91Å; F190-V438 HydrophobicContact CE2-CG1 4.24Å; F190-V438 HydrophobicContact CE2-CG2 4.48Å; F190-V438 HydrophobicContact CG-CG2 3.69Å; F190-A441 HydrophobicContact CZ-CB 4.42Å |
| 191 | V | 98 | Very high | 94.5 | Very high | 42 Ų | 42 | 41.5 Ų | 41.5 | 26% | 0.255 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 117.2 | 171.5 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | C169 K175 | C169-V191 CarbonylContact O-C 3.46Å; C169-V191 VanDerWaalsContact O-CA 3.28Å; C169-V191 WeakPolarHBondContact O-CA 3.35Å; K175-V191 HydrophobicContact CB-CG2 3.81Å; K175-V191 HydrophobicContact CD-CG2 3.79Å; K175-V191 HydrophobicContact CG-CG2 4.42Å |
| 192 | I | 97.7 | Very high | 94.9 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | trans | -132.6 | 106.9 | 174 | -54.8 | 177.3 | 0 | 0 | 0 | 106.4 | I168 C169 V431 R434 V438 | I168-I192 HydrophobicContact CD1-CD1 4.07Å; I168-I192 HydrophobicContact CG1-CD1 4.21Å; I168-I192 HydrophobicContact CG2-CB 3.74Å; I168-I192 HydrophobicContact CG2-CD1 4.04Å; I168-I192 HydrophobicContact CG2-CG1 3.99Å; C169-I192 PolarHBondContact O-N 3.34Å; I192-V431 HydrophobicContact CG2-CB 4.41Å; I192-V431 HydrophobicContact CG2-CG1 3.88Å; I192-V431 HydrophobicContact CG2-CG2 4.46Å; I192-R434 HydrophobicContact CD1-CB 3.81Å; I192-R434 HydrophobicContact CG1-CB 4.13Å; I192-R434 HydrophobicContact CG2-CB 4.1Å; I192-V438 HydrophobicContact CD1-CG2 3.83Å | ||
| 193 | P | 96.3 | Very high | 95.2 | Very high | 19 Ų | 19 | 44.5 Ų | 44.5 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | trans | -65.9 | 158.5 | -179 | 28.2 | -34.8 | 0 | 0 | 0 | 111.6 | V170 F301 Y426 V431 | V170-P193 WeakPolarHBondContact O-CA 3.45Å; P193-F301 HydrophobicContact CB-CD2 4.23Å; P193-F301 HydrophobicContact CB-CE2 3.5Å; P193-F301 HydrophobicContact CB-CZ 3.93Å; P193-Y426 HydrophobicContact CB-CD1 4.21Å; P193-Y426 HydrophobicContact CB-CE1 3.68Å; P193-Y426 HydrophobicContact CG-CD1 4.23Å; P193-Y426 HydrophobicContact CG-CE1 3.78Å; P193-V431 WeakPolarHBondContact O-CG2 3.14Å | ||
| 194 | N | 95.2 | Very high | 95.6 | Very high | 10 Ų | 10 | 39.5 Ų | 39.5 | 5% | 0.053 | 22% | 0.224 | C | C | . | . | trans | -67.8 | 164.2 | 170.9 | -71 | -37.5 | 0 | 0 | 0 | 110.8 | H34 F301 I303 Y426 | H34-N194 PolarHBondContact CE1-OD1 3.48Å; H34-N194 VanDerWaalsContact CE1-OD1 3.29Å; H34-N194 PolarHBondContact ND1-OD1 3.19Å; N194-F301 HydrophobicContact CB-CD1 3.64Å; N194-F301 HydrophobicContact CB-CE1 3.68Å; N194-F301 HydrophobicContact CB-CG 4.36Å; N194-F301 HydrophobicContact CB-CZ 4.44Å; N194-I303 HydrophobicContact CB-CD1 4.26Å; N194-I303 HydrophobicContact CB-CG1 4.14Å; N194-Y426 VanDerWaalsContact O-CD1 3.25Å; N194-Y426 WeakPolarHBondContact O-CD1 3.4Å | ||
| 195 | A | 94.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | trans | -123.8 | 168 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y426 C427 W428 V431 | A195-Y426 WeakPolarHBondContact CA-O 3.33Å; A195-Y426 WeakPolarHBondContact CB-O 3.46Å; A195-C427 VanDerWaalsContact CB-C 3.41Å; A195-W428 HydrophobicContact CB-CD2 3.68Å; A195-W428 HydrophobicContact CB-CE3 4.07Å; A195-W428 HydrophobicContact CB-CG 3.92Å; A195-W428 HydrophobicContact CB-CZ2 4.2Å; A195-W428 HydrophobicContact CB-CZ3 4.48Å; A195-W428 WeakPolarHBondContact O-CZ2 3.42Å; A195-V431 HydrophobicContact CB-CG2 3.67Å | ||
| 196 | V | 94.3 | Very high | 95.7 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | trans | -124.7 | 149.1 | 173.3 | 65.7 | 0 | 0 | 0 | 0 | 109.1 | A198 F201 L306 E307 I422 Y426 | V196-A198 VanDerWaalsContact C-N 3.33Å; V196-A198 PolarHBondContact O-N 3.46Å; V196-A198 VanDerWaalsContact O-N 3.13Å; V196-F201 HydrophobicContact CG2-CD2 3.62Å; V196-F201 HydrophobicContact CG2-CE2 3.74Å; V196-L306 HydrophobicContact CB-CB 4.33Å; V196-L306 HydrophobicContact CG1-CB 4.12Å; V196-E307 HydrophobicContact CG2-CG 3.79Å; V196-I422 HydrophobicContact CG1-CG2 3.47Å; V196-I422 VanDerWaalsContact CG1-CG2 3.47Å; V196-Y426 PolarHBondContact N-O 3.41Å | ||
| 197 | D | 92.8 | Very high | 95.7 | Very high | 88 Ų | 88 | 41 Ų | 41 | 47% | 0.471 | 24% | 0.242 | S | C | . | . | trans | -79.7 | 87.6 | 164.9 | -177.9 | 3.6 | 0 | 0 | 0 | 108.8 | S199 A200 F201 | D197-S199 PolarHBondContact O-N 3.47Å; D197-S199 VanDerWaalsContact O-N 3.08Å; D197-S199 WeakPolarHBondContact OD1-CB 3.43Å; D197-S199 PolarHBondContact OD1-N 2.77Å; D197-S199 VanDerWaalsContact OD1-N 3.15Å; D197-S199 PolarHBondContact OD1-OG 2.93Å; D197-S199 PolarHBondContact OD2-OG 2.97Å; D197-A200 HydrophobicContact CB-CB 4.45Å; D197-A200 WeakPolarHBondContact O-CB 3.34Å; D197-A200 PolarHBondContact O-N 3.43Å; D197-F201 WeakPolarHBondContact O-CD2 3.4Å | ||
| 198 | A | 94 | Very high | 95.7 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -54.7 | -29.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V196 A200 F201 H419 R423 | V196-A198 VanDerWaalsContact C-N 3.33Å; V196-A198 PolarHBondContact O-N 3.46Å; V196-A198 VanDerWaalsContact O-N 3.13Å; A198-A200 PolarHBondContact O-N 2.86Å; A198-A200 VanDerWaalsContact O-N 3.15Å; A198-F201 CarbonylContact O-C 3.49Å; A198-F201 PolarHBondContact O-N 2.81Å; A198-H419 PolarHBondContact O-CE1 3.24Å; A198-R423 HydrophobicContact CB-CB 3.78Å; A198-R423 HydrophobicContact CB-CG 4.14Å |
| 199 | S | 94.3 | Very high | 95.7 | Very high | 73 Ų | 73 | 36.7 Ų | 36.7 | 51% | 0.51 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -62.9 | -24 | 178.8 | 76.5 | 0 | 0 | 0 | 0 | 113.4 | D197 F201 | D197-S199 PolarHBondContact O-N 3.47Å; D197-S199 VanDerWaalsContact O-N 3.08Å; D197-S199 WeakPolarHBondContact OD1-CB 3.43Å; D197-S199 PolarHBondContact OD1-N 2.77Å; D197-S199 VanDerWaalsContact OD1-N 3.15Å; D197-S199 PolarHBondContact OD1-OG 2.93Å; D197-S199 PolarHBondContact OD2-OG 2.97Å; S199-F201 VanDerWaalsContact C-N 3.34Å |
| 200 | A | 94.5 | Very high | 95.4 | Very high | 48 Ų | 48 | 40.9 Ų | 40.9 | 40% | 0.397 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -82.7 | -8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D197 A198 R283 | D197-A200 HydrophobicContact CB-CB 4.45Å; D197-A200 WeakPolarHBondContact O-CB 3.34Å; D197-A200 PolarHBondContact O-N 3.43Å; A198-A200 PolarHBondContact O-N 2.86Å; A198-A200 VanDerWaalsContact O-N 3.15Å; A200-R283 WeakPolarHBondContact O-CD 3.41Å |
| 201 | F | 97 | Very high | 95.2 | Very high | 19 Ų | 19 | 43.4 Ų | 43.4 | 8% | 0.083 | 26% | 0.263 | C | S | . | . | trans | -129.3 | 53.9 | -173.2 | -65.6 | -78.9 | 0 | 0 | 0 | 112.1 | V196 D197 A198 S199 V282 R283 L286 E307 S310 H419 | V196-F201 HydrophobicContact CG2-CD2 3.62Å; V196-F201 HydrophobicContact CG2-CE2 3.74Å; D197-F201 WeakPolarHBondContact O-CD2 3.4Å; A198-F201 CarbonylContact O-C 3.49Å; A198-F201 PolarHBondContact O-N 2.81Å; S199-F201 VanDerWaalsContact C-N 3.34Å; F201-V282 HydrophobicContact CE1-CB 4.38Å; F201-V282 HydrophobicContact CE1-CG1 4.02Å; F201-R283 HydrophobicContact CD1-CB 4.1Å; F201-R283 HydrophobicContact CE1-CB 4.39Å; F201-L286 HydrophobicContact CD1-CD1 3.97Å; F201-L286 HydrophobicContact CE1-CD1 4.08Å; F201-E307 HydrophobicContact CD1-CB 3.87Å; F201-E307 HydrophobicContact CD1-CG 4.21Å; F201-E307 HydrophobicContact CD2-CB 4.49Å; F201-E307 HydrophobicContact CD2-CG 4.13Å; F201-E307 HydrophobicContact CE1-CB 3.74Å; F201-E307 HydrophobicContact CE1-CG 3.77Å; F201-E307 HydrophobicContact CE2-CB 4.39Å; F201-E307 HydrophobicContact CE2-CG 3.68Å; F201-E307 HydrophobicContact CG-CB 4.25Å; F201-E307 HydrophobicContact CG-CG 4.38Å; F201-E307 HydrophobicContact CZ-CB 4.01Å; F201-E307 VanDerWaalsContact CZ-CD 3.44Å; F201-E307 HydrophobicContact CZ-CG 3.48Å; F201-E307 VanDerWaalsContact CZ-CG 3.48Å; F201-E307 WeakPolarHBondContact CZ-OE1 3.24Å; F201-S310 CarbonylContact O-C 3.55Å; F201-S310 VanDerWaalsContact O-C 3.22Å; F201-S310 PolarHBondContact O-OG 3.03Å; F201-H419 PolarHBondContact O-ND1 3.49Å | ||
| 202 | L | 97.7 | Very high | 95.1 | Very high | 66 Ų | 66 | 45.7 Ų | 45.7 | 35% | 0.346 | 27% | 0.268 | S | S | . | . | trans | -72.5 | 132.8 | 176.9 | -59.5 | 175.8 | 0 | 0 | 0 | 111.8 | R283 W416 | L202-R283 PolarHBondContact O-NE 3.35Å; L202-R283 PolarHBondContact O-NH2 3.47Å; L202-W416 HydrophobicContact CD2-CH2 4.18Å; L202-W416 HydrophobicContact CD2-CZ3 4.31Å | ||
| 203 | P | 97.5 | Very high | 95.1 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | trans | -67.6 | 144 | 177.2 | 30 | -34.7 | 0 | 0 | 0 | 111 | S310 C311 C415 W416 H419 | P203-S310 WeakPolarHBondContact CD-O 3.43Å; P203-C311 WeakPolarHBondContact CB-O 3.38Å; P203-C415 HydrophobicContact CB-CB 3.93Å; P203-W416 HydrophobicContact CG-CD2 3.7Å; P203-W416 HydrophobicContact CG-CE3 3.97Å; P203-W416 HydrophobicContact CG-CG 4.11Å; P203-W416 HydrophobicContact CG-CH2 4.39Å; P203-W416 HydrophobicContact CG-CZ2 4.13Å; P203-W416 HydrophobicContact CG-CZ3 4.3Å; P203-H419 HydrophobicContact CG-CB 4.04Å | ||
| 204 | D | 96.7 | Very high | 95.2 | Very high | 51 Ų | 51 | 44.8 Ų | 44.8 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | trans | -147.1 | 83.1 | 171.3 | -173.2 | -5.7 | 0 | 0 | 0 | 110.4 | S206 C207 I287 | D204-S206 PolarHBondContact O-N 2.9Å; D204-S206 VanDerWaalsContact O-N 3.12Å; D204-S206 WeakPolarHBondContact OD1-CB 3.49Å; D204-S206 PolarHBondContact OD1-N 3.26Å; D204-S206 PolarHBondContact OD1-OG 2.99Å; D204-C207 WeakPolarHBondContact O-CB 3.38Å; D204-C207 PolarHBondContact O-N 2.96Å; D204-C207 PolarHBondContact OD2-SG 3.36Å; D204-C207 VanDerWaalsContact OD2-SG 3.33Å; D204-I287 HydrophobicContact CB-CB 4.33Å; D204-I287 HydrophobicContact CB-CD1 4.21Å; D204-I287 HydrophobicContact CB-CG2 4.32Å | ||
| 205 | P | 92.6 | Very high | 95.3 | Very high | 21 Ų | 21 | 44.3 Ų | 44.3 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -63.8 | -16 | -178.3 | -22.7 | 35 | 0 | 0 | 0 | 113.9 | C207 R208 C415 | P205-C207 PolarHBondContact O-N 3.01Å; P205-R208 WeakPolarHBondContact O-CB 3.49Å; P205-R208 WeakPolarHBondContact O-CG 3.4Å; P205-R208 PolarHBondContact O-N 3.33Å; P205-C415 HydrophobicContact CG-CB 3.94Å |
| 206 | S | 94.1 | Very high | 95.5 | Very high | 101 Ų | 101 | 44.2 Ų | 44.2 | 71% | 0.706 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -69.7 | -18 | 178.3 | 78 | 0 | 0 | 0 | 0 | 113 | D204 R208 | D204-S206 PolarHBondContact O-N 2.9Å; D204-S206 VanDerWaalsContact O-N 3.12Å; D204-S206 WeakPolarHBondContact OD1-CB 3.49Å; D204-S206 PolarHBondContact OD1-N 3.26Å; D204-S206 PolarHBondContact OD1-OG 2.99Å; S206-R208 VanDerWaalsContact C-N 3.29Å |
| 207 | C | 96.1 | Very high | 95.7 | Very high | 54 Ų | 54 | 44 Ų | 44 | 37% | 0.365 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -80.5 | -5.4 | 175.9 | -71.8 | 0 | 0 | 0 | 0 | 113.8 | D204 P205 I287 | D204-C207 WeakPolarHBondContact O-CB 3.38Å; D204-C207 PolarHBondContact O-N 2.96Å; D204-C207 PolarHBondContact OD2-SG 3.36Å; D204-C207 VanDerWaalsContact OD2-SG 3.33Å; P205-C207 PolarHBondContact O-N 3.01Å; C207-I287 HydrophobicContact CB-CB 4.35Å; C207-I287 HydrophobicContact CB-CD1 4.14Å; C207-I287 HydrophobicContact CB-CG1 3.97Å |
| 208 | R | 95.1 | Very high | 95.9 | Very high | 27 Ų | 27 | 41 Ų | 41 | 10% | 0.102 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -77.2 | 136.9 | 178.8 | -63.7 | 177.6 | 180 | 172.5 | 6.8 | 110.7 | P205 S206 P210 G289 G312 | P205-R208 WeakPolarHBondContact O-CB 3.49Å; P205-R208 WeakPolarHBondContact O-CG 3.4Å; P205-R208 PolarHBondContact O-N 3.33Å; S206-R208 VanDerWaalsContact C-N 3.29Å; R208-P210 WeakPolarHBondContact O-CD 3.27Å; R208-G289 PolarHBondContact NE-O 3.23Å; R208-G312 PolarHBondContact NH2-O 2.86Å |
| 209 | D | 94.4 | Very high | 95.9 | Very high | 49 Ų | 49 | 41.8 Ų | 41.8 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | trans | -70.6 | 120.7 | 175.8 | -169 | -34.4 | 0 | 0 | 0 | 110.1 | N211 Y212 R357 | D209-N211 PolarHBondContact O-N 2.83Å; D209-N211 WeakPolarHBondContact OD1-CB 3.32Å; D209-N211 PolarHBondContact OD1-N 3.46Å; D209-N211 PolarHBondContact OD1-ND2 2.78Å; D209-Y212 PolarHBondContact O-N 3.37Å; D209-Y212 WeakPolarHBondContact OD2-CD2 3.16Å; D209-R357 PolarHBondContact O-NH1 3.3Å; D209-R357 PolarHBondContact O-NH2 3.07Å; D209-R357 VanDerWaalsContact O-NH2 3.14Å | ||
| 210 | P | 91.5 | Very high | 95.8 | Very high | 90 Ų | 90 | 45 Ų | 45 | 58% | 0.584 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -69.2 | -18.3 | -179.1 | 28.6 | -35.7 | 0 | 0 | 0 | 113.5 | R208 R357 | R208-P210 WeakPolarHBondContact O-CD 3.27Å; P210-R357 PolarHBondContact O-NH1 2.94Å |
| 211 | N | 93.8 | Very high | 95.9 | Very high | 124 Ų | 124 | 42.8 Ų | 42.8 | 66% | 0.663 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -92.6 | -22 | -177.3 | -54.9 | -59.4 | 0 | 0 | 0 | 113.2 | D209 | D209-N211 PolarHBondContact O-N 2.83Å; D209-N211 WeakPolarHBondContact OD1-CB 3.32Å; D209-N211 PolarHBondContact OD1-N 3.46Å; D209-N211 PolarHBondContact OD1-ND2 2.78Å |
| 212 | Y | 96.4 | Very high | 95.7 | Very high | 90 Ų | 90 | 43.4 Ų | 43.4 | 35% | 0.353 | 24% | 0.235 | S | C | . | . | trans | -119.7 | 144.9 | -178.4 | -69.8 | -88.2 | 0 | 0 | 0 | 111.4 | D209 E243 R245 R357 | D209-Y212 PolarHBondContact O-N 3.37Å; D209-Y212 WeakPolarHBondContact OD2-CD2 3.16Å; Y212-E243 CarbonylContact C-O 3.49Å; Y212-E243 VanDerWaalsContact CA-O 3.25Å; Y212-E243 WeakPolarHBondContact CA-O 3.34Å; Y212-E243 VanDerWaalsContact CD1-O 3.3Å; Y212-E243 WeakPolarHBondContact CD1-O 3.47Å; Y212-R245 HydrophobicContact CD1-CB 4.27Å; Y212-R357 PolarHBondContact O-NH1 3.49Å; Y212-R357 PolarHBondContact O-NH2 2.89Å; Y212-R357 VanDerWaalsContact O-NH2 3.14Å | ||
| 213 | I | 97.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 118 | 162.9 | -63.8 | 174.3 | 0 | 0 | 0 | 106.5 | E243 L244 R245 D290 I291 I350 V353 R354 | I213-E243 HydrophobicContact CD1-CG 4.06Å; I213-E243 HydrophobicContact CG1-CG 4.2Å; I213-E243 PolarHBondContact N-O 3.26Å; I213-L244 HydrophobicContact CG2-CD1 4.47Å; I213-R245 PolarHBondContact O-N 3.06Å; I213-D290 WeakPolarHBondContact CA-OD2 3.34Å; I213-D290 HydrophobicContact CG2-CB 4.42Å; I213-I291 HydrophobicContact CG2-CD1 4.48Å; I213-I350 HydrophobicContact CD1-CG2 3.78Å; I213-I350 HydrophobicContact CG2-CG2 4.39Å; I213-V353 HydrophobicContact CD1-CG1 4.32Å; I213-V353 HydrophobicContact CG1-CG1 4.24Å; I213-V353 HydrophobicContact CG2-CG1 4.16Å; I213-R354 HydrophobicContact CD1-CB 3.95Å |
| 214 | T | 98.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 117.2 | -171.6 | -60.3 | 0 | 0 | 0 | 0 | 111 | V216 R245 L247 G289 D290 I291 | T214-V216 HydrophobicContact CG2-CG2 4.29Å; T214-R245 WeakPolarHBondContact CA-O 3.47Å; T214-L247 HydrophobicContact CG2-CD1 3.61Å; T214-L247 HydrophobicContact CG2-CG 3.64Å; T214-G289 WeakPolarHBondContact O-CA 3.38Å; T214-D290 PolarHBondContact N-OD2 3.39Å; T214-D290 PolarHBondContact O-N 3.15Å; T214-I291 PolarHBondContact O-N 3.2Å |
| 215 | I | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 124 | 169.6 | -60.1 | -175.9 | 0 | 0 | 0 | 109 | V217 L244 R245 F246 L247 I291 L293 V346 I350 | I215-V217 HydrophobicContact CG2-CG2 4.5Å; I215-L244 HydrophobicContact CD1-CD1 3.73Å; I215-L244 HydrophobicContact CG1-CD1 3.81Å; I215-R245 PolarHBondContact N-O 2.71Å; I215-F246 HydrophobicContact CB-CD1 3.82Å; I215-F246 HydrophobicContact CB-CE1 3.86Å; I215-F246 HydrophobicContact CB-CG 4.49Å; I215-F246 HydrophobicContact CD1-CE1 3.82Å; I215-F246 HydrophobicContact CD1-CZ 3.87Å; I215-F246 HydrophobicContact CG1-CE1 4.37Å; I215-F246 HydrophobicContact CG2-CD1 3.86Å; I215-F246 HydrophobicContact CG2-CE1 3.78Å; I215-F246 CarbonylContact O-C 3.54Å; I215-F246 VanDerWaalsContact O-CA 3.31Å; I215-F246 WeakPolarHBondContact O-CA 3.27Å; I215-L247 PolarHBondContact O-N 3.31Å; I215-I291 CarbonylContact C-O 3.56Å; I215-I291 WeakPolarHBondContact CA-O 3.27Å; I215-I291 HydrophobicContact CG1-CB 4.11Å; I215-I291 HydrophobicContact CG1-CD1 4.39Å; I215-I291 HydrophobicContact CG1-CG2 4.34Å; I215-I291 HydrophobicContact CG2-CG2 4.44Å; I215-L293 HydrophobicContact CG2-CB 3.55Å; I215-L293 HydrophobicContact CG2-CD2 4.16Å; I215-V346 HydrophobicContact CD1-CG1 3.61Å; I215-I350 HydrophobicContact CD1-CD1 4.21Å; I215-I350 HydrophobicContact CD1-CG1 4.41Å |
| 216 | V | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 133.4 | 176.3 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | T214 V218 L247 L285 L286 I291 F292 L293 L313 | T214-V216 HydrophobicContact CG2-CG2 4.29Å; V216-V218 HydrophobicContact CG1-CG2 3.91Å; V216-L247 WeakPolarHBondContact CA-O 3.45Å; V216-L247 HydrophobicContact CG2-CB 4.35Å; V216-L247 HydrophobicContact CG2-CD1 4.37Å; V216-L285 HydrophobicContact CG1-CD1 4.37Å; V216-L285 HydrophobicContact CG1-CD2 4.2Å; V216-L285 HydrophobicContact CG1-CG 3.88Å; V216-L286 HydrophobicContact CG1-CD2 3.97Å; V216-I291 PolarHBondContact N-O 3.45Å; V216-F292 HydrophobicContact CG1-CD2 4.36Å; V216-F292 WeakPolarHBondContact O-CA 3.25Å; V216-L293 PolarHBondContact O-N 3.48Å; V216-L313 HydrophobicContact CB-CD2 4.22Å; V216-L313 HydrophobicContact CG2-CD2 4.33Å |
| 217 | V | 98.5 | Very high | 95.3 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 121.9 | 172.3 | 179.6 | 0 | 0 | 0 | 0 | 107.8 | I215 L230 L247 I248 G249 L293 | I215-V217 HydrophobicContact CG2-CG2 4.5Å; V217-L230 HydrophobicContact CB-CD2 4.49Å; V217-L230 HydrophobicContact CG1-CD2 4.03Å; V217-L230 HydrophobicContact CG2-CD1 4.1Å; V217-L230 HydrophobicContact CG2-CD2 4.15Å; V217-L247 PolarHBondContact N-O 3.02Å; V217-I248 HydrophobicContact CB-CG1 4.25Å; V217-I248 HydrophobicContact CB-CG2 4.34Å; V217-I248 HydrophobicContact CG1-CG2 4.44Å; V217-I248 CarbonylContact O-C 3.57Å; V217-I248 WeakPolarHBondContact O-CA 3.36Å; V217-G249 PolarHBondContact O-N 3Å; V217-L293 HydrophobicContact CG2-CB 4.05Å; V217-L293 HydrophobicContact CG2-CD2 4.45Å; V217-L293 HydrophobicContact CG2-CG 4.5Å |
| 218 | V | 97 | Very high | 95.3 | Very high | 26 Ų | 26 | 45.8 Ų | 45.8 | 16% | 0.158 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 105.1 | 173.6 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | V216 G249 L277 V282 L285 L286 F292 | V216-V218 HydrophobicContact CG1-CG2 3.91Å; V218-G249 WeakPolarHBondContact CA-O 3.14Å; V218-L277 HydrophobicContact CG1-CD1 4.44Å; V218-V282 HydrophobicContact CG1-CG1 4.37Å; V218-L285 HydrophobicContact CG2-CD2 3.75Å; V218-L286 HydrophobicContact CG2-CD2 4.32Å; V218-F292 HydrophobicContact CB-CE2 4.04Å; V218-F292 HydrophobicContact CG2-CE2 4.21Å |
| 219 | S | 93.8 | Very high | 95.5 | Very high | 22 Ų | 22 | 45.5 Ų | 45.5 | 15% | 0.154 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -163.9 | 165.3 | 178.4 | 75.1 | 0 | 0 | 0 | 0 | 112.5 | G249 G250 | S219-G249 PolarHBondContact N-O 3.2Å; S219-G250 WeakPolarHBondContact O-CA 3.34Å |
| 220 | R | 92.5 | Very high | 95.6 | Very high | 140 Ų | 140 | 43.2 Ų | 43.2 | 53% | 0.528 | 20% | 0.203 | S | C | . | . | trans | -68.5 | 134.5 | 165.1 | -75 | -178.2 | -69.1 | 170.7 | -11.3 | 110.1 | V222 K225 | R220-V222 VanDerWaalsContact C-N 3.29Å; R220-V222 HydrophobicContact CB-CG2 4.17Å; R220-V222 PolarHBondContact O-N 3.43Å; R220-K225 WeakPolarHBondContact O-CB 3.38Å; R220-K225 WeakPolarHBondContact O-CG 3.27Å | ||
| 221 | L | 95.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | trans | -82.2 | 73.5 | -177.3 | -49.9 | 180 | 0 | 0 | 0 | 110.7 | L227 I248 D251 G252 P253 K254 R255 L258 | L221-L227 HydrophobicContact CB-CG 4.28Å; L221-L227 HydrophobicContact CD2-CD1 3.7Å; L221-L227 HydrophobicContact CD2-CD2 4.48Å; L221-L227 HydrophobicContact CD2-CG 4.06Å; L221-I248 HydrophobicContact CD2-CG2 4.08Å; L221-D251 PolarHBondContact N-O 3.26Å; L221-G252 CarbonylContact O-C 3.58Å; L221-G252 WeakPolarHBondContact O-CA 3.28Å; L221-P253 WeakPolarHBondContact O-CD 3.4Å; L221-K254 HydrophobicContact CB-CB 4.43Å; L221-K254 WeakPolarHBondContact O-CB 3.24Å; L221-K254 PolarHBondContact O-N 3.17Å; L221-R255 HydrophobicContact CD1-CB 3.79Å; L221-R255 HydrophobicContact CD1-CG 4.15Å; L221-L258 HydrophobicContact CD1-CD1 4.19Å; L221-L258 HydrophobicContact CD2-CD1 4.13Å | ||
| 222 | V | 93.6 | Very high | 96.1 | Very high | 32 Ų | 32 | 36.8 Ų | 36.8 | 19% | 0.194 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -133 | 154.5 | -176.9 | -67.8 | 0 | 0 | 0 | 0 | 111.5 | R220 R224 K225 L227 | R220-V222 VanDerWaalsContact C-N 3.29Å; R220-V222 HydrophobicContact CB-CG2 4.17Å; R220-V222 PolarHBondContact O-N 3.43Å; V222-R224 VanDerWaalsContact C-N 3.3Å; V222-R224 HydrophobicContact CB-CG 4.49Å; V222-R224 HydrophobicContact CG2-CG 3.57Å; V222-R224 PolarHBondContact O-N 2.93Å; V222-R224 VanDerWaalsContact O-N 3.12Å; V222-K225 HydrophobicContact CG2-CB 4.15Å; V222-K225 HydrophobicContact CG2-CG 3.78Å; V222-K225 PolarHBondContact O-N 3.41Å; V222-L227 WeakPolarHBondContact O-CD2 3.31Å |
| 223 | Y | 93.4 | Very high | 96.2 | Very high | 148 Ų | 148 | 32.6 Ų | 32.6 | 58% | 0.58 | 16% | 0.156 | S | C | * | . | G | 310 helix | trans | -47 | -46.8 | -179.3 | 179.1 | -102.5 | 0 | 0 | 0 | 114.3 | K225 G226 D228 L297 | Y223-K225 PolarHBondContact O-N 3.31Å; Y223-K225 VanDerWaalsContact O-N 3.13Å; Y223-G226 WeakPolarHBondContact O-CA 3.43Å; Y223-G226 PolarHBondContact O-N 2.97Å; Y223-D228 WeakPolarHBondContact CD2-OD2 3.42Å; Y223-D228 VanDerWaalsContact CE2-OD2 3.23Å; Y223-D228 WeakPolarHBondContact CE2-OD2 3.43Å; Y223-L297 HydrophobicContact CD1-CD1 4.3Å; Y223-L297 HydrophobicContact CE1-CD1 3.85Å; Y223-L297 HydrophobicContact CE2-CD1 4.16Å; Y223-L297 WeakPolarHBondContact O-CD1 3.41Å |
| 224 | R | 91.5 | Very high | 96.2 | Very high | 121 Ų | 121 | 32.4 Ų | 32.4 | 46% | 0.457 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -62 | -23.2 | -179.6 | 64.2 | 165.9 | 172.8 | -171.5 | -14.1 | 114.9 | V222 G226 L297 T298 | V222-R224 VanDerWaalsContact C-N 3.3Å; V222-R224 HydrophobicContact CB-CG 4.49Å; V222-R224 HydrophobicContact CG2-CG 3.57Å; V222-R224 PolarHBondContact O-N 2.93Å; V222-R224 VanDerWaalsContact O-N 3.12Å; R224-G226 PolarHBondContact O-N 2.88Å; R224-L297 PolarHBondContact O-N 3.37Å; R224-T298 HydrophobicContact CB-CG2 4.26Å |
| 225 | K | 94 | Very high | 96.2 | Very high | 26 Ų | 26 | 33.1 Ų | 33.1 | 11% | 0.113 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -84.7 | 7 | 173.8 | -68 | -62.6 | -177.8 | 177.9 | 0 | 111.8 | R220 V222 Y223 L227 T295 S296 E299 | R220-K225 WeakPolarHBondContact O-CB 3.38Å; R220-K225 WeakPolarHBondContact O-CG 3.27Å; V222-K225 HydrophobicContact CG2-CB 4.15Å; V222-K225 HydrophobicContact CG2-CG 3.78Å; V222-K225 PolarHBondContact O-N 3.41Å; Y223-K225 PolarHBondContact O-N 3.31Å; Y223-K225 VanDerWaalsContact O-N 3.13Å; K225-L227 VanDerWaalsContact C-N 3.34Å; K225-L227 HydrophobicContact CB-CD2 3.49Å; K225-L227 VanDerWaalsContact CB-CD2 3.49Å; K225-L227 PolarHBondContact O-N 2.99Å; K225-T295 CarbonylContact O-C 3.2Å; K225-T295 VanDerWaalsContact O-C 3.27Å; K225-T295 PolarHBondContact O-OG1 3.01Å; K225-T295 VanDerWaalsContact O-OG1 3.06Å; K225-S296 WeakPolarHBondContact CD-OG 3.18Å; K225-S296 PolarHBondContact O-N 3.02Å; K225-E299 IonicContact NZ-OE1 2.72Å; K225-E299 PolarHBondContact NZ-OE1 3.43Å; K225-E299 IonicContact NZ-OE2 3.79Å; K225-E299 PolarHBondContact NZ-OE2 3.33Å |
| 226 | G | 95.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 41.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y223 R224 D228 L229 L230 T295 | Y223-G226 WeakPolarHBondContact O-CA 3.43Å; Y223-G226 PolarHBondContact O-N 2.97Å; R224-G226 PolarHBondContact O-N 2.88Å; G226-D228 PolarHBondContact O-N 3.01Å; G226-L229 WeakPolarHBondContact O-CB 3.39Å; G226-L229 PolarHBondContact O-N 3.47Å; G226-L230 PolarHBondContact O-N 3.41Å; G226-T295 VanDerWaalsContact CA-O 3.24Å; G226-T295 WeakPolarHBondContact CA-O 3.2Å; G226-T295 WeakPolarHBondContact O-CB 3.45Å; G226-T295 PolarHBondContact O-OG1 3.44Å |
| 227 | L | 96.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.7 | -24.2 | 177.5 | -83 | -57.2 | 0 | 0 | 0 | 112.1 | L221 V222 K225 L229 L230 V231 K254 L258 | L221-L227 HydrophobicContact CB-CG 4.28Å; L221-L227 HydrophobicContact CD2-CD1 3.7Å; L221-L227 HydrophobicContact CD2-CD2 4.48Å; L221-L227 HydrophobicContact CD2-CG 4.06Å; V222-L227 WeakPolarHBondContact O-CD2 3.31Å; K225-L227 VanDerWaalsContact C-N 3.34Å; K225-L227 HydrophobicContact CB-CD2 3.49Å; K225-L227 VanDerWaalsContact CB-CD2 3.49Å; K225-L227 PolarHBondContact O-N 2.99Å; L227-L229 VanDerWaalsContact C-N 3.26Å; L227-L229 PolarHBondContact O-N 3.02Å; L227-L230 HydrophobicContact CD1-CB 4.17Å; L227-L230 HydrophobicContact CD1-CD2 3.51Å; L227-L230 HydrophobicContact CD1-CG 4.46Å; L227-L230 WeakPolarHBondContact O-CB 3.47Å; L227-L230 PolarHBondContact O-N 2.92Å; L227-L230 VanDerWaalsContact O-N 3.14Å; L227-V231 WeakPolarHBondContact O-CB 3.14Å; L227-V231 VanDerWaalsContact O-CG2 3.25Å; L227-V231 WeakPolarHBondContact O-CG2 3.19Å; L227-V231 PolarHBondContact O-N 2.99Å; L227-K254 HydrophobicContact CB-CB 3.93Å; L227-K254 HydrophobicContact CB-CG 4.33Å; L227-K254 HydrophobicContact CG-CB 4.36Å; L227-L258 HydrophobicContact CD1-CD1 4.2Å |
| 228 | D | 96.4 | Very high | 96.1 | Very high | 54 Ų | 54 | 35.6 Ų | 35.6 | 29% | 0.289 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.1 | -36.7 | 172.8 | -57.9 | -3.6 | 0 | 0 | 0 | 111.3 | Y223 G226 A232 K254 | Y223-D228 WeakPolarHBondContact CD2-OD2 3.42Å; Y223-D228 VanDerWaalsContact CE2-OD2 3.23Å; Y223-D228 WeakPolarHBondContact CE2-OD2 3.43Å; G226-D228 PolarHBondContact O-N 3.01Å; D228-A232 WeakPolarHBondContact O-CB 3.39Å; D228-A232 PolarHBondContact O-N 3.32Å; D228-K254 WeakPolarHBondContact OD1-CE 3.39Å; D228-K254 IonicContact OD1-NZ 3.48Å; D228-K254 PolarHBondContact OD1-NZ 3.25Å; D228-K254 IonicContact OD2-NZ 3.21Å |
| 229 | L | 97.8 | Very high | 96.1 | Very high | 21 Ų | 21 | 39 Ų | 39 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.6 | -43.4 | 173.4 | -60.2 | 179.4 | 0 | 0 | 0 | 110.6 | G226 L227 A232 I233 L297 T318 A337 A339 L342 | G226-L229 WeakPolarHBondContact O-CB 3.39Å; G226-L229 PolarHBondContact O-N 3.47Å; L227-L229 VanDerWaalsContact C-N 3.26Å; L227-L229 PolarHBondContact O-N 3.02Å; L229-A232 PolarHBondContact O-N 3.46Å; L229-I233 WeakPolarHBondContact O-CG1 3.35Å; L229-I233 WeakPolarHBondContact O-CG2 3.4Å; L229-I233 PolarHBondContact O-N 3.41Å; L229-L297 HydrophobicContact CD1-CD2 3.72Å; L229-L297 HydrophobicContact CG-CD2 4.31Å; L229-T318 HydrophobicContact CD1-CG2 4.05Å; L229-A337 HydrophobicContact CD1-CB 4.36Å; L229-A339 HydrophobicContact CD2-CB 4.17Å; L229-L342 HydrophobicContact CB-CD2 4.07Å; L229-L342 HydrophobicContact CD1-CD2 4.48Å |
| 230 | L | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.3 | -47 | 178.3 | -176 | 63.5 | 0 | 0 | 0 | 111.6 | V217 G226 L227 A232 I233 I234 F246 I248 L258 L293 T295 | V217-L230 HydrophobicContact CB-CD2 4.49Å; V217-L230 HydrophobicContact CG1-CD2 4.03Å; V217-L230 HydrophobicContact CG2-CD1 4.1Å; V217-L230 HydrophobicContact CG2-CD2 4.15Å; G226-L230 PolarHBondContact O-N 3.41Å; L227-L230 HydrophobicContact CD1-CB 4.17Å; L227-L230 HydrophobicContact CD1-CD2 3.51Å; L227-L230 HydrophobicContact CD1-CG 4.46Å; L227-L230 WeakPolarHBondContact O-CB 3.47Å; L227-L230 PolarHBondContact O-N 2.92Å; L227-L230 VanDerWaalsContact O-N 3.14Å; L230-A232 VanDerWaalsContact C-N 3.28Å; L230-A232 PolarHBondContact O-N 3.44Å; L230-I233 WeakPolarHBondContact O-CG1 3.13Å; L230-I233 PolarHBondContact O-N 3.28Å; L230-I234 HydrophobicContact CD1-CD1 3.91Å; L230-I234 HydrophobicContact CD1-CG1 4.1Å; L230-I234 HydrophobicContact CD2-CD1 4.4Å; L230-I234 HydrophobicContact CG-CD1 3.71Å; L230-I234 HydrophobicContact CG-CG1 4.34Å; L230-I234 VanDerWaalsContact O-CG1 3.28Å; L230-I234 WeakPolarHBondContact O-CG1 3.47Å; L230-I234 PolarHBondContact O-N 2.81Å; L230-F246 HydrophobicContact CD1-CE1 4.4Å; L230-I248 HydrophobicContact CD2-CD1 4.01Å; L230-L258 HydrophobicContact CD2-CD2 4.27Å; L230-L258 HydrophobicContact CG-CD2 4.42Å; L230-L293 HydrophobicContact CD1-CD2 3.68Å; L230-T295 HydrophobicContact CB-CG2 4.33Å; L230-T295 HydrophobicContact CD1-CG2 4.5Å |
| 231 | V | 97.6 | Very high | 96.5 | Very high | 22 Ų | 22 | 38 Ų | 38 | 13% | 0.133 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.2 | -41.7 | 176 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | L227 I233 P235 E257 L258 I261 | L227-V231 WeakPolarHBondContact O-CB 3.14Å; L227-V231 VanDerWaalsContact O-CG2 3.25Å; L227-V231 WeakPolarHBondContact O-CG2 3.19Å; L227-V231 PolarHBondContact O-N 2.99Å; V231-I233 PolarHBondContact O-N 2.94Å; V231-P235 VanDerWaalsContact O-CD 3.22Å; V231-P235 WeakPolarHBondContact O-CD 3.2Å; V231-E257 HydrophobicContact CG2-CB 4.12Å; V231-L258 HydrophobicContact CG2-CD2 3.62Å; V231-L258 HydrophobicContact CG2-CG 3.97Å; V231-I261 HydrophobicContact CB-CD1 4.45Å; V231-I261 HydrophobicContact CG1-CD1 4.21Å; V231-I261 HydrophobicContact CG1-CG1 4.41Å; V231-I261 HydrophobicContact CG1-CG2 3.56Å |
| 232 | A | 97.5 | Very high | 96.5 | Very high | 58 Ų | 58 | 42.3 Ų | 42.3 | 48% | 0.479 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.5 | -30.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | D228 L229 L230 A339 | D228-A232 WeakPolarHBondContact O-CB 3.39Å; D228-A232 PolarHBondContact O-N 3.32Å; L229-A232 PolarHBondContact O-N 3.46Å; L230-A232 VanDerWaalsContact C-N 3.28Å; L230-A232 PolarHBondContact O-N 3.44Å; A232-A339 HydrophobicContact CB-CB 3.77Å |
| 233 | I | 98.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -95.9 | -26 | -174.7 | 68.9 | 175.7 | 0 | 0 | 0 | 114 | L229 L230 V231 S236 L237 L293 A339 L342 A343 V346 | L229-I233 WeakPolarHBondContact O-CG1 3.35Å; L229-I233 WeakPolarHBondContact O-CG2 3.4Å; L229-I233 PolarHBondContact O-N 3.41Å; L230-I233 WeakPolarHBondContact O-CG1 3.13Å; L230-I233 PolarHBondContact O-N 3.28Å; V231-I233 PolarHBondContact O-N 2.94Å; I233-S236 PolarHBondContact O-N 2.64Å; I233-S236 PolarHBondContact O-OG 3.16Å; I233-L237 HydrophobicContact CB-CD1 4.02Å; I233-L237 HydrophobicContact CD1-CD1 4.08Å; I233-L237 HydrophobicContact CG1-CD1 4.07Å; I233-L237 WeakPolarHBondContact O-CB 3.06Å; I233-L237 VanDerWaalsContact O-CG 3.28Å; I233-L237 WeakPolarHBondContact O-CG 3.36Å; I233-L237 PolarHBondContact O-N 2.74Å; I233-L237 VanDerWaalsContact O-N 3.1Å; I233-L293 HydrophobicContact CD1-CD2 3.96Å; I233-A339 HydrophobicContact CG2-CB 4.15Å; I233-A339 VanDerWaalsContact CG2-O 3.23Å; I233-A339 WeakPolarHBondContact CG2-O 3.39Å; I233-L342 HydrophobicContact CD1-CD2 3.89Å; I233-L342 HydrophobicContact CD1-CG 4.07Å; I233-A343 HydrophobicContact CB-CB 4.2Å; I233-A343 HydrophobicContact CG2-CB 3.82Å; I233-V346 HydrophobicContact CD1-CG2 4.42Å |
| 234 | I | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.4 | -51.1 | -175.1 | -79.8 | 168.6 | 0 | 0 | 0 | 112.1 | L230 S236 L237 C238 F246 I248 L258 I261 L267 V271 | L230-I234 HydrophobicContact CD1-CD1 3.91Å; L230-I234 HydrophobicContact CD1-CG1 4.1Å; L230-I234 HydrophobicContact CD2-CD1 4.4Å; L230-I234 HydrophobicContact CG-CD1 3.71Å; L230-I234 HydrophobicContact CG-CG1 4.34Å; L230-I234 VanDerWaalsContact O-CG1 3.28Å; L230-I234 WeakPolarHBondContact O-CG1 3.47Å; L230-I234 PolarHBondContact O-N 2.81Å; I234-S236 PolarHBondContact O-N 2.82Å; I234-L237 PolarHBondContact O-N 2.7Å; I234-C238 WeakPolarHBondContact O-CB 3.49Å; I234-C238 PolarHBondContact O-N 3.22Å; I234-C238 PolarHBondContact O-SG 2.87Å; I234-F246 HydrophobicContact CB-CE2 4.48Å; I234-F246 HydrophobicContact CD1-CD1 4.43Å; I234-F246 HydrophobicContact CG1-CD1 4.14Å; I234-F246 HydrophobicContact CG1-CD2 4.19Å; I234-F246 HydrophobicContact CG1-CE1 3.92Å; I234-F246 HydrophobicContact CG1-CE2 3.98Å; I234-F246 HydrophobicContact CG1-CG 4.27Å; I234-F246 HydrophobicContact CG1-CZ 3.84Å; I234-F246 HydrophobicContact CG2-CD2 4.46Å; I234-F246 HydrophobicContact CG2-CE2 4.43Å; I234-I248 HydrophobicContact CD1-CD1 3.98Å; I234-L258 HydrophobicContact CD1-CD2 3.93Å; I234-I261 HydrophobicContact CB-CD1 3.94Å; I234-I261 HydrophobicContact CD1-CD1 4.26Å; I234-I261 HydrophobicContact CG2-CD1 3.9Å; I234-L267 HydrophobicContact CG2-CD1 3.7Å; I234-V271 HydrophobicContact CG2-CG2 3.63Å |
| 235 | P | 97.9 | Very high | 97.2 | Very high | 17 Ų | 17 | 32.4 Ų | 32.4 | 11% | 0.11 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.8 | -42.5 | -175 | -24.6 | 35.6 | 0 | 0 | 0 | 113.4 | V231 S239 I261 Y265 | V231-P235 VanDerWaalsContact O-CD 3.22Å; V231-P235 WeakPolarHBondContact O-CD 3.2Å; P235-S239 WeakPolarHBondContact O-CB 3.43Å; P235-S239 PolarHBondContact O-N 2.72Å; P235-I261 HydrophobicContact CG-CB 4.48Å; P235-I261 HydrophobicContact CG-CD1 4.23Å; P235-Y265 HydrophobicContact CB-CD1 3.83Å; P235-Y265 HydrophobicContact CB-CD2 3.99Å; P235-Y265 HydrophobicContact CB-CE1 3.89Å; P235-Y265 HydrophobicContact CB-CE2 4.07Å; P235-Y265 HydrophobicContact CB-CG 3.87Å; P235-Y265 HydrophobicContact CG-CD2 3.84Å; P235-Y265 HydrophobicContact CG-CE2 3.87Å; P235-Y265 HydrophobicContact CG-CG 4.21Å |
| 236 | S | 97.2 | Very high | 97.4 | Very high | 54 Ų | 54 | 31.2 Ų | 31.2 | 38% | 0.378 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -67.4 | -43.9 | -179 | 57.2 | 0 | 0 | 0 | 0 | 111.4 | I233 I234 S239 L240 | I233-S236 PolarHBondContact O-N 2.64Å; I233-S236 PolarHBondContact O-OG 3.16Å; I234-S236 PolarHBondContact O-N 2.82Å; S236-S239 WeakPolarHBondContact O-CB 3.4Å; S236-S239 PolarHBondContact O-N 3.26Å; S236-L240 WeakPolarHBondContact O-CD1 3.44Å; S236-L240 WeakPolarHBondContact O-CG 3.23Å; S236-L240 PolarHBondContact O-N 3.49Å |
| 237 | L | 98.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.1 | -45.1 | 177.3 | -69.4 | 172.2 | 0 | 0 | 0 | 112 | I233 I234 S239 L240 F241 L244 F246 V346 A347 I350 | I233-L237 HydrophobicContact CB-CD1 4.02Å; I233-L237 HydrophobicContact CD1-CD1 4.08Å; I233-L237 HydrophobicContact CG1-CD1 4.07Å; I233-L237 WeakPolarHBondContact O-CB 3.06Å; I233-L237 VanDerWaalsContact O-CG 3.28Å; I233-L237 WeakPolarHBondContact O-CG 3.36Å; I233-L237 PolarHBondContact O-N 2.74Å; I233-L237 VanDerWaalsContact O-N 3.1Å; I234-L237 PolarHBondContact O-N 2.7Å; L237-S239 PolarHBondContact O-N 3.44Å; L237-L240 PolarHBondContact O-N 3.4Å; L237-L240 VanDerWaalsContact O-N 3.11Å; L237-F241 HydrophobicContact CD2-CD2 4.42Å; L237-F241 HydrophobicContact CD2-CE2 4.16Å; L237-F241 WeakPolarHBondContact O-CD2 3.11Å; L237-F241 PolarHBondContact O-N 2.85Å; L237-L244 HydrophobicContact CB-CD2 3.66Å; L237-F246 HydrophobicContact CD1-CZ 4.31Å; L237-V346 HydrophobicContact CD1-CB 3.98Å; L237-V346 HydrophobicContact CD1-CG1 3.49Å; L237-V346 VanDerWaalsContact CD1-CG1 3.49Å; L237-V346 HydrophobicContact CD2-CG1 4.34Å; L237-A347 HydrophobicContact CD2-CB 4Å; L237-I350 HydrophobicContact CD2-CD1 4.46Å |
| 238 | C | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.8 | -28.5 | 175.4 | -77.1 | 0 | 0 | 0 | 0 | 112.7 | I234 L267 R270 | I234-C238 WeakPolarHBondContact O-CB 3.49Å; I234-C238 PolarHBondContact O-N 3.22Å; I234-C238 PolarHBondContact O-SG 2.87Å; C238-L267 HydrophobicContact CB-CD1 4.45Å; C238-L267 HydrophobicContact CB-CD2 3.89Å; C238-R270 VanDerWaalsContact O-CZ 3.28Å; C238-R270 PolarHBondContact O-NH1 2.89Å; C238-R270 PolarHBondContact O-NH2 3.28Å |
| 239 | S | 97.1 | Very high | 97.7 | Very high | 97 Ų | 97 | 28.8 Ų | 28.8 | 68% | 0.678 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -72.5 | -34.4 | 172.9 | -172.1 | 0 | 0 | 0 | 0 | 112.6 | P235 S236 L237 | P235-S239 WeakPolarHBondContact O-CB 3.43Å; P235-S239 PolarHBondContact O-N 2.72Å; S236-S239 WeakPolarHBondContact O-CB 3.4Å; S236-S239 PolarHBondContact O-N 3.26Å; L237-S239 PolarHBondContact O-N 3.44Å |
| 240 | L | 97.6 | Very high | 97.6 | Very high | 120 Ų | 120 | 28.3 Ų | 28.3 | 63% | 0.628 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -79.2 | -35.6 | -179 | -74.6 | 161.7 | 0 | 0 | 0 | 112.6 | S236 L237 | S236-L240 WeakPolarHBondContact O-CD1 3.44Å; S236-L240 WeakPolarHBondContact O-CG 3.23Å; S236-L240 PolarHBondContact O-N 3.49Å; L237-L240 PolarHBondContact O-N 3.4Å; L237-L240 VanDerWaalsContact O-N 3.11Å |
| 241 | F | 97.7 | Very high | 97.5 | Very high | 22 Ų | 22 | 31.6 Ų | 31.6 | 10% | 0.096 | 19% | 0.191 | C | C | . | . | trans | -121.6 | 95.9 | -174.2 | -58.6 | -76.1 | 0 | 0 | 0 | 110.4 | L237 E243 L244 A347 I350 I351 | L237-F241 HydrophobicContact CD2-CD2 4.42Å; L237-F241 HydrophobicContact CD2-CE2 4.16Å; L237-F241 WeakPolarHBondContact O-CD2 3.11Å; L237-F241 PolarHBondContact O-N 2.85Å; F241-E243 PolarHBondContact O-N 3.4Å; F241-L244 HydrophobicContact CB-CB 3.78Å; F241-L244 HydrophobicContact CB-CD2 4.42Å; F241-L244 WeakPolarHBondContact O-CB 3.42Å; F241-L244 PolarHBondContact O-N 3.21Å; F241-L244 VanDerWaalsContact O-N 3.1Å; F241-A347 HydrophobicContact CE2-CB 3.69Å; F241-A347 HydrophobicContact CZ-CB 3.87Å; F241-I350 HydrophobicContact CB-CG2 4.37Å; F241-I350 HydrophobicContact CD1-CG2 3.63Å; F241-I350 HydrophobicContact CD2-CD1 3.77Å; F241-I350 HydrophobicContact CD2-CG2 4.27Å; F241-I350 HydrophobicContact CE1-CB 4.39Å; F241-I350 HydrophobicContact CE1-CG2 3.89Å; F241-I350 HydrophobicContact CE2-CB 4.49Å; F241-I350 HydrophobicContact CE2-CD1 3.99Å; F241-I350 HydrophobicContact CG-CD1 4.31Å; F241-I350 HydrophobicContact CG-CG2 3.83Å; F241-I350 HydrophobicContact CZ-CB 4.38Å; F241-I350 HydrophobicContact CZ-CG2 4.33Å; F241-I351 HydrophobicContact CE1-CD1 4.45Å; F241-I351 HydrophobicContact CE1-CG1 3.87Å; F241-I351 HydrophobicContact CZ-CD1 4.31Å; F241-I351 HydrophobicContact CZ-CG1 4.08Å | ||
| 242 | P | 95.9 | Very high | 97.3 | Very high | 94 Ų | 94 | 31.6 Ų | 31.6 | 61% | 0.61 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -30.1 | 179.9 | -26.5 | 35.7 | 0 | 0 | 0 | 114.6 | L244 | P242-L244 VanDerWaalsContact C-N 3.27Å; P242-L244 PolarHBondContact O-N 3.47Å |
| 243 | E | 95.9 | Very high | 97.2 | Very high | 38 Ų | 38 | 34.1 Ų | 34.1 | 18% | 0.178 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -0.8 | 178.2 | 70.3 | -87.2 | -144.9 | 0 | 0 | 114 | Y212 I213 F241 R354 | Y212-E243 CarbonylContact C-O 3.49Å; Y212-E243 VanDerWaalsContact CA-O 3.25Å; Y212-E243 WeakPolarHBondContact CA-O 3.34Å; Y212-E243 VanDerWaalsContact CD1-O 3.3Å; Y212-E243 WeakPolarHBondContact CD1-O 3.47Å; I213-E243 HydrophobicContact CD1-CG 4.06Å; I213-E243 HydrophobicContact CG1-CG 4.2Å; I213-E243 PolarHBondContact N-O 3.26Å; F241-E243 PolarHBondContact O-N 3.4Å; E243-R354 IonicContact OE1-CZ 3.4Å; E243-R354 IonicContact OE1-NH1 3.67Å; E243-R354 PolarHBondContact OE1-NH1 2.73Å |
| 244 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 133.1 | -175.1 | -175.9 | 64.8 | 0 | 0 | 0 | 112.4 | I213 I215 L237 F241 P242 F246 I350 | I213-L244 HydrophobicContact CG2-CD1 4.47Å; I215-L244 HydrophobicContact CD1-CD1 3.73Å; I215-L244 HydrophobicContact CG1-CD1 3.81Å; L237-L244 HydrophobicContact CB-CD2 3.66Å; F241-L244 HydrophobicContact CB-CB 3.78Å; F241-L244 HydrophobicContact CB-CD2 4.42Å; F241-L244 WeakPolarHBondContact O-CB 3.42Å; F241-L244 PolarHBondContact O-N 3.21Å; F241-L244 VanDerWaalsContact O-N 3.1Å; P242-L244 VanDerWaalsContact C-N 3.27Å; P242-L244 PolarHBondContact O-N 3.47Å; L244-F246 HydrophobicContact CD2-CE2 3.59Å; L244-F246 HydrophobicContact CD2-CZ 4.02Å; L244-F246 HydrophobicContact CG-CD2 4.45Å; L244-F246 HydrophobicContact CG-CE2 3.91Å; L244-I350 HydrophobicContact CD1-CD1 3.73Å; L244-I350 HydrophobicContact CD1-CG1 4.13Å; L244-I350 HydrophobicContact CD2-CD1 3.8Å; L244-I350 HydrophobicContact CG-CD1 4.37Å |
| 245 | R | 98 | Very high | 97 | Very high | 55 Ų | 55 | 39 Ų | 39 | 21% | 0.208 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 147.3 | 171.1 | -178.3 | 179.4 | 177.6 | -158.7 | -1.3 | 111.4 | Y212 I213 T214 I215 L247 R270 N272 | Y212-R245 HydrophobicContact CD1-CB 4.27Å; I213-R245 PolarHBondContact O-N 3.06Å; T214-R245 WeakPolarHBondContact CA-O 3.47Å; I215-R245 PolarHBondContact N-O 2.71Å; R245-L247 VanDerWaalsContact NH2-CD2 3.25Å; R245-R270 CarbonylContact C-O 3.51Å; R245-R270 VanDerWaalsContact CA-O 3.3Å; R245-R270 WeakPolarHBondContact CA-O 3.35Å; R245-R270 WeakPolarHBondContact CG-O 3.49Å; R245-N272 PolarHBondContact NE-OD1 2.55Å; R245-N272 PolarHBondContact NH2-ND2 2.94Å; R245-N272 VanDerWaalsContact NH2-ND2 3.1Å |
| 246 | F | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130.9 | 170.2 | -70.2 | -94.9 | 0 | 0 | 0 | 110.8 | I215 L230 I234 L237 L244 I248 R270 V271 N272 L293 | I215-F246 HydrophobicContact CB-CD1 3.82Å; I215-F246 HydrophobicContact CB-CE1 3.86Å; I215-F246 HydrophobicContact CB-CG 4.49Å; I215-F246 HydrophobicContact CD1-CE1 3.82Å; I215-F246 HydrophobicContact CD1-CZ 3.87Å; I215-F246 HydrophobicContact CG1-CE1 4.37Å; I215-F246 HydrophobicContact CG2-CD1 3.86Å; I215-F246 HydrophobicContact CG2-CE1 3.78Å; I215-F246 CarbonylContact O-C 3.54Å; I215-F246 VanDerWaalsContact O-CA 3.31Å; I215-F246 WeakPolarHBondContact O-CA 3.27Å; L230-F246 HydrophobicContact CD1-CE1 4.4Å; I234-F246 HydrophobicContact CB-CE2 4.48Å; I234-F246 HydrophobicContact CD1-CD1 4.43Å; I234-F246 HydrophobicContact CG1-CD1 4.14Å; I234-F246 HydrophobicContact CG1-CD2 4.19Å; I234-F246 HydrophobicContact CG1-CE1 3.92Å; I234-F246 HydrophobicContact CG1-CE2 3.98Å; I234-F246 HydrophobicContact CG1-CG 4.27Å; I234-F246 HydrophobicContact CG1-CZ 3.84Å; I234-F246 HydrophobicContact CG2-CD2 4.46Å; I234-F246 HydrophobicContact CG2-CE2 4.43Å; L237-F246 HydrophobicContact CD1-CZ 4.31Å; L244-F246 HydrophobicContact CD2-CE2 3.59Å; L244-F246 HydrophobicContact CD2-CZ 4.02Å; L244-F246 HydrophobicContact CG-CD2 4.45Å; L244-F246 HydrophobicContact CG-CE2 3.91Å; F246-I248 HydrophobicContact CB-CD1 4.42Å; F246-I248 HydrophobicContact CB-CG1 4.27Å; F246-R270 PolarHBondContact N-O 3.29Å; F246-V271 HydrophobicContact CB-CG1 4.44Å; F246-V271 HydrophobicContact CB-CG2 4.33Å; F246-V271 HydrophobicContact CD2-CG2 4.27Å; F246-N272 PolarHBondContact O-N 3.18Å; F246-L293 HydrophobicContact CE1-CD2 4.33Å |
| 247 | L | 98.4 | Very high | 97 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 113.8 | 165.1 | -57.1 | 179.8 | 0 | 0 | 0 | 109 | T214 I215 V216 V217 R245 N272 L285 Q288 | T214-L247 HydrophobicContact CG2-CD1 3.61Å; T214-L247 HydrophobicContact CG2-CG 3.64Å; I215-L247 PolarHBondContact O-N 3.31Å; V216-L247 WeakPolarHBondContact CA-O 3.45Å; V216-L247 HydrophobicContact CG2-CB 4.35Å; V216-L247 HydrophobicContact CG2-CD1 4.37Å; V217-L247 PolarHBondContact N-O 3.02Å; R245-L247 VanDerWaalsContact NH2-CD2 3.25Å; L247-N272 HydrophobicContact CD2-CB 3.83Å; L247-L285 HydrophobicContact CB-CD1 3.63Å; L247-L285 HydrophobicContact CD1-CD1 3.63Å; L247-L285 HydrophobicContact CG-CD1 4.23Å; L247-Q288 HydrophobicContact CD1-CB 3.98Å |
| 248 | I | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 108.2 | -174.2 | -54.4 | 178.6 | 0 | 0 | 0 | 109 | V217 L221 L230 I234 F246 L258 V271 N272 L273 L274 | V217-I248 HydrophobicContact CB-CG1 4.25Å; V217-I248 HydrophobicContact CB-CG2 4.34Å; V217-I248 HydrophobicContact CG1-CG2 4.44Å; V217-I248 CarbonylContact O-C 3.57Å; V217-I248 WeakPolarHBondContact O-CA 3.36Å; L221-I248 HydrophobicContact CD2-CG2 4.08Å; L230-I248 HydrophobicContact CD2-CD1 4.01Å; I234-I248 HydrophobicContact CD1-CD1 3.98Å; F246-I248 HydrophobicContact CB-CD1 4.42Å; F246-I248 HydrophobicContact CB-CG1 4.27Å; I248-L258 HydrophobicContact CD1-CD1 4.26Å; I248-L258 HydrophobicContact CD1-CD2 4.16Å; I248-L258 HydrophobicContact CG2-CD1 4.29Å; I248-V271 HydrophobicContact CD1-CG1 4Å; I248-N272 PolarHBondContact N-O 3.18Å; I248-L273 HydrophobicContact CB-CD2 3.87Å; I248-L273 HydrophobicContact CD1-CD2 3.8Å; I248-L273 HydrophobicContact CG1-CD2 4.27Å; I248-L273 HydrophobicContact CG2-CD2 4.27Å; I248-L274 PolarHBondContact O-N 2.67Å |
| 249 | G | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 128.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V217 V218 S219 | V217-G249 PolarHBondContact O-N 3Å; V218-G249 WeakPolarHBondContact CA-O 3.14Å; S219-G249 PolarHBondContact N-O 3.2Å |
| 250 | G | 95 | Very high | 97 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 11% | 0.113 | 26% | 0.257 | C | S | . | . | trans | 130.3 | 173.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S219 G275 | S219-G250 WeakPolarHBondContact O-CA 3.34Å; G250-G275 CarbonylContact C-O 3.54Å; G250-G275 WeakPolarHBondContact CA-O 3.26Å; G250-G275 PolarHBondContact N-O 2.94Å; G250-G275 CarbonylContact O-C 3.41Å; G250-G275 VanDerWaalsContact O-CA 3.29Å; G250-G275 WeakPolarHBondContact O-CA 3.49Å | ||
| 251 | D | 95 | Very high | 97 | Very high | 69 Ų | 69 | 43.7 Ų | 43.7 | 37% | 0.369 | 23% | 0.231 | S | C | . | . | trans | -141.5 | 164 | -179.7 | -157.2 | 3 | 0 | 0 | 0 | 111.2 | L221 R255 S276 | L221-D251 PolarHBondContact N-O 3.26Å; D251-R255 WeakPolarHBondContact OD1-CD 3.46Å; D251-S276 WeakPolarHBondContact CB-OG 3.29Å | ||
| 252 | G | 94.8 | Very high | 96.9 | Very high | 22 Ų | 22 | 45.3 Ų | 45.3 | 23% | 0.227 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 154.3 | 175.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L221 K254 R255 | L221-G252 CarbonylContact O-C 3.58Å; L221-G252 WeakPolarHBondContact O-CA 3.28Å; G252-K254 PolarHBondContact O-N 3.24Å; G252-K254 VanDerWaalsContact O-N 3.07Å; G252-R255 WeakPolarHBondContact O-CB 3.28Å; G252-R255 PolarHBondContact O-N 3.42Å |
| 253 | P | 95.2 | Very high | 97 | Very high | 110 Ų | 110 | 46.7 Ų | 46.7 | 71% | 0.714 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -28.5 | -173.9 | -25.7 | 34.5 | 0 | 0 | 0 | 115.1 | L221 R255 | L221-P253 WeakPolarHBondContact O-CD 3.4Å; P253-R255 PolarHBondContact O-N 2.6Å |
| 254 | K | 95.5 | Very high | 97.1 | Very high | 39 Ų | 39 | 50.9 Ų | 50.9 | 17% | 0.17 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 2.3 | 179.1 | -69.4 | -72.1 | -172.1 | 162.2 | 0 | 113.6 | L221 L227 D228 G252 L256 E257 | L221-K254 HydrophobicContact CB-CB 4.43Å; L221-K254 WeakPolarHBondContact O-CB 3.24Å; L221-K254 PolarHBondContact O-N 3.17Å; L227-K254 HydrophobicContact CB-CB 3.93Å; L227-K254 HydrophobicContact CB-CG 4.33Å; L227-K254 HydrophobicContact CG-CB 4.36Å; D228-K254 WeakPolarHBondContact OD1-CE 3.39Å; D228-K254 IonicContact OD1-NZ 3.48Å; D228-K254 PolarHBondContact OD1-NZ 3.25Å; D228-K254 IonicContact OD2-NZ 3.21Å; G252-K254 PolarHBondContact O-N 3.24Å; G252-K254 VanDerWaalsContact O-N 3.07Å; K254-L256 VanDerWaalsContact C-N 3.29Å; K254-L256 PolarHBondContact O-N 2.86Å; K254-E257 VanDerWaalsContact CD-CD 3.42Å; K254-E257 WeakPolarHBondContact CD-OE1 3.48Å; K254-E257 WeakPolarHBondContact CD-OE2 3.44Å; K254-E257 VanDerWaalsContact CE-OE1 3.3Å; K254-E257 WeakPolarHBondContact CE-OE1 3.25Å; K254-E257 IonicContact NZ-OE1 3.28Å; K254-E257 PolarHBondContact NZ-OE1 2.84Å; K254-E257 IonicContact NZ-OE2 2.65Å; K254-E257 PolarHBondContact NZ-OE2 2.91Å; K254-E257 PolarHBondContact O-N 3.2Å |
| 255 | R | 97.2 | Very high | 97.1 | Very high | 65 Ų | 65 | 56.6 Ų | 56.6 | 25% | 0.245 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.4 | -40.4 | 175.4 | -179.2 | 176 | 170.9 | 133.7 | 8 | 112.5 | L221 D251 G252 P253 E257 L258 E259 | L221-R255 HydrophobicContact CD1-CB 3.79Å; L221-R255 HydrophobicContact CD1-CG 4.15Å; D251-R255 WeakPolarHBondContact OD1-CD 3.46Å; G252-R255 WeakPolarHBondContact O-CB 3.28Å; G252-R255 PolarHBondContact O-N 3.42Å; P253-R255 PolarHBondContact O-N 2.6Å; R255-E257 VanDerWaalsContact C-N 3.27Å; R255-E257 PolarHBondContact O-N 3.13Å; R255-L258 WeakPolarHBondContact O-CB 3.49Å; R255-L258 PolarHBondContact O-N 2.97Å; R255-L258 VanDerWaalsContact O-N 3.11Å; R255-E259 HydrophobicContact CG-CG 4.42Å; R255-E259 IonicContact CZ-OE1 2.68Å; R255-E259 IonicContact NE-OE1 3.5Å; R255-E259 PolarHBondContact NE-OE1 2.89Å; R255-E259 IonicContact NH2-OE1 3.67Å; R255-E259 PolarHBondContact NH2-OE1 3.18Å; R255-E259 VanDerWaalsContact NH2-OE1 3.08Å; R255-E259 PolarHBondContact O-N 2.95Å |
| 256 | L | 97.2 | Very high | 97 | Very high | 124 Ų | 124 | 61.7 Ų | 61.7 | 65% | 0.649 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -59.7 | -38.4 | -177.7 | -66.3 | 173.4 | 0 | 0 | 0 | 112 | K254 L258 E259 E260 | K254-L256 VanDerWaalsContact C-N 3.29Å; K254-L256 PolarHBondContact O-N 2.86Å; L256-L258 VanDerWaalsContact C-N 3.33Å; L256-L258 PolarHBondContact O-N 3.09Å; L256-E259 PolarHBondContact O-N 2.79Å; L256-E260 WeakPolarHBondContact O-CB 3.43Å; L256-E260 PolarHBondContact O-N 3.39Å |
| 257 | E | 97.6 | Very high | 97 | Very high | 64 Ų | 64 | 61.8 Ų | 61.8 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.5 | -35.5 | 178.3 | -66.5 | 173.1 | -146.3 | 0 | 0 | 111.8 | V231 K254 R255 I261 | V231-E257 HydrophobicContact CG2-CB 4.12Å; K254-E257 VanDerWaalsContact CD-CD 3.42Å; K254-E257 WeakPolarHBondContact CD-OE1 3.48Å; K254-E257 WeakPolarHBondContact CD-OE2 3.44Å; K254-E257 VanDerWaalsContact CE-OE1 3.3Å; K254-E257 WeakPolarHBondContact CE-OE1 3.25Å; K254-E257 IonicContact NZ-OE1 3.28Å; K254-E257 PolarHBondContact NZ-OE1 2.84Å; K254-E257 IonicContact NZ-OE2 2.65Å; K254-E257 PolarHBondContact NZ-OE2 2.91Å; K254-E257 PolarHBondContact O-N 3.2Å; R255-E257 VanDerWaalsContact C-N 3.27Å; R255-E257 PolarHBondContact O-N 3.13Å; E257-I261 WeakPolarHBondContact O-CG1 3.35Å; E257-I261 PolarHBondContact O-N 3.46Å; E257-I261 VanDerWaalsContact O-N 3.09Å |
| 258 | L | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.7 | -37.8 | 172.9 | -72.5 | 170.4 | 0 | 0 | 0 | 112.2 | L221 L227 L230 V231 I234 I248 R255 L256 I261 R262 L273 | L221-L258 HydrophobicContact CD1-CD1 4.19Å; L221-L258 HydrophobicContact CD2-CD1 4.13Å; L227-L258 HydrophobicContact CD1-CD1 4.2Å; L230-L258 HydrophobicContact CD2-CD2 4.27Å; L230-L258 HydrophobicContact CG-CD2 4.42Å; V231-L258 HydrophobicContact CG2-CD2 3.62Å; V231-L258 HydrophobicContact CG2-CG 3.97Å; I234-L258 HydrophobicContact CD1-CD2 3.93Å; I248-L258 HydrophobicContact CD1-CD1 4.26Å; I248-L258 HydrophobicContact CD1-CD2 4.16Å; I248-L258 HydrophobicContact CG2-CD1 4.29Å; R255-L258 WeakPolarHBondContact O-CB 3.49Å; R255-L258 PolarHBondContact O-N 2.97Å; R255-L258 VanDerWaalsContact O-N 3.11Å; L256-L258 VanDerWaalsContact C-N 3.33Å; L256-L258 PolarHBondContact O-N 3.09Å; L258-I261 HydrophobicContact CD2-CD1 4.38Å; L258-I261 WeakPolarHBondContact O-CG1 3.41Å; L258-R262 VanDerWaalsContact O-CB 3.29Å; L258-R262 WeakPolarHBondContact O-CB 3.22Å; L258-R262 PolarHBondContact O-N 2.77Å; L258-R262 VanDerWaalsContact O-N 3.12Å; L258-L273 HydrophobicContact CB-CD1 4.07Å; L258-L273 HydrophobicContact CB-CD2 4.11Å; L258-L273 HydrophobicContact CD1-CD2 4.16Å |
| 259 | E | 97.7 | Very high | 96.8 | Very high | 56 Ų | 56 | 69.7 Ų | 69.7 | 26% | 0.262 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 175.4 | -72 | 177.2 | 170.8 | 0 | 0 | 111.3 | R255 L256 R262 E263 L273 | R255-E259 HydrophobicContact CG-CG 4.42Å; R255-E259 IonicContact CZ-OE1 2.68Å; R255-E259 IonicContact NE-OE1 3.5Å; R255-E259 PolarHBondContact NE-OE1 2.89Å; R255-E259 IonicContact NH2-OE1 3.67Å; R255-E259 PolarHBondContact NH2-OE1 3.18Å; R255-E259 VanDerWaalsContact NH2-OE1 3.08Å; R255-E259 PolarHBondContact O-N 2.95Å; L256-E259 PolarHBondContact O-N 2.79Å; E259-R262 PolarHBondContact O-N 3.07Å; E259-E263 PolarHBondContact O-N 3.3Å; E259-L273 HydrophobicContact CB-CD1 4.47Å; E259-L273 HydrophobicContact CG-CD1 3.43Å; E259-L273 VanDerWaalsContact CG-CD1 3.43Å |
| 260 | E | 97.6 | Very high | 96.7 | Very high | 129 Ų | 129 | 72.5 Ų | 72.5 | 60% | 0.603 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.2 | -48.9 | 177.6 | -174.5 | 173.5 | -167.9 | 0 | 0 | 111.8 | L256 R262 E263 Q264 | L256-E260 WeakPolarHBondContact O-CB 3.43Å; L256-E260 PolarHBondContact O-N 3.39Å; E260-R262 VanDerWaalsContact C-N 3.28Å; E260-R262 PolarHBondContact O-N 3.29Å; E260-E263 PolarHBondContact O-N 2.74Å; E260-Q264 VanDerWaalsContact O-CB 3.28Å; E260-Q264 WeakPolarHBondContact O-CB 3.25Å; E260-Q264 PolarHBondContact O-N 2.57Å |
| 261 | I | 97.1 | Very high | 96.9 | Very high | 15 Ų | 15 | 72 Ų | 72 | 8% | 0.077 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.9 | -32.5 | 176.2 | 63.5 | 153.2 | 0 | 0 | 0 | 112.4 | V231 I234 P235 E257 L258 E263 Y265 | V231-I261 HydrophobicContact CB-CD1 4.45Å; V231-I261 HydrophobicContact CG1-CD1 4.21Å; V231-I261 HydrophobicContact CG1-CG1 4.41Å; V231-I261 HydrophobicContact CG1-CG2 3.56Å; I234-I261 HydrophobicContact CB-CD1 3.94Å; I234-I261 HydrophobicContact CD1-CD1 4.26Å; I234-I261 HydrophobicContact CG2-CD1 3.9Å; P235-I261 HydrophobicContact CG-CB 4.48Å; P235-I261 HydrophobicContact CG-CD1 4.23Å; E257-I261 WeakPolarHBondContact O-CG1 3.35Å; E257-I261 PolarHBondContact O-N 3.46Å; E257-I261 VanDerWaalsContact O-N 3.09Å; L258-I261 HydrophobicContact CD2-CD1 4.38Å; L258-I261 WeakPolarHBondContact O-CG1 3.41Å; I261-E263 VanDerWaalsContact C-N 3.31Å; I261-Y265 HydrophobicContact CB-CD2 4.28Å; I261-Y265 WeakPolarHBondContact O-CB 3.19Å; I261-Y265 WeakPolarHBondContact O-CD2 3.49Å; I261-Y265 PolarHBondContact O-N 3.44Å |
| 262 | R | 97 | Very high | 97 | Very high | 57 Ų | 57 | 71.1 Ų | 71.1 | 22% | 0.215 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.4 | -38.9 | 177.7 | -172.5 | -171.5 | 73.6 | -173.5 | -3 | 110.7 | L258 E259 E260 Q266 L267 H268 V271 | L258-R262 VanDerWaalsContact O-CB 3.29Å; L258-R262 WeakPolarHBondContact O-CB 3.22Å; L258-R262 PolarHBondContact O-N 2.77Å; L258-R262 VanDerWaalsContact O-N 3.12Å; E259-R262 PolarHBondContact O-N 3.07Å; E260-R262 VanDerWaalsContact C-N 3.28Å; E260-R262 PolarHBondContact O-N 3.29Å; R262-Q266 CarbonylContact O-C 3.6Å; R262-Q266 WeakPolarHBondContact O-CA 3.47Å; R262-Q266 PolarHBondContact O-N 2.83Å; R262-Q266 VanDerWaalsContact O-N 3.15Å; R262-L267 HydrophobicContact CG-CB 4.18Å; R262-L267 PolarHBondContact O-N 2.9Å; R262-H268 PolarHBondContact NE-CD2 2.63Å; R262-H268 PolarHBondContact NE-NE2 2.98Å; R262-V271 VanDerWaalsContact CD-O 3.25Å; R262-V271 WeakPolarHBondContact CD-O 3.26Å; R262-V271 HydrophobicContact CG-CB 4.28Å |
| 263 | E | 97.6 | Very high | 97.1 | Very high | 123 Ų | 123 | 71.2 Ų | 71.2 | 58% | 0.575 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -69.6 | -54.8 | 175.4 | -170.8 | 64.7 | -149.8 | 0 | 0 | 111.1 | E259 E260 I261 Y265 Q266 H268 | E259-E263 PolarHBondContact O-N 3.3Å; E260-E263 PolarHBondContact O-N 2.74Å; I261-E263 VanDerWaalsContact C-N 3.31Å; E263-Y265 VanDerWaalsContact C-N 3.29Å; E263-Y265 PolarHBondContact O-N 3.23Å; E263-Q266 PolarHBondContact O-N 2.85Å; E263-H268 IonicContact OE2-CE1 3.02Å; E263-H268 PolarHBondContact OE2-CE1 2.84Å; E263-H268 IonicContact OE2-NE2 3.27Å; E263-H268 PolarHBondContact OE2-NE2 3.47Å |
| 264 | Q | 97.7 | Very high | 97.2 | Very high | 126 Ų | 126 | 70 Ų | 70 | 59% | 0.589 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -57 | -40.5 | -175.7 | -177.2 | -176.7 | -5.2 | 0 | 0 | 112.7 | E260 | E260-Q264 VanDerWaalsContact O-CB 3.28Å; E260-Q264 WeakPolarHBondContact O-CB 3.25Å; E260-Q264 PolarHBondContact O-N 2.57Å |
| 265 | Y | 97.6 | Very high | 97.3 | Very high | 119 Ų | 119 | 68.5 Ų | 68.5 | 47% | 0.467 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 9.6 | -179 | -65.5 | -90.3 | 0 | 0 | 0 | 113.4 | P235 I261 E263 L267 | P235-Y265 HydrophobicContact CB-CD1 3.83Å; P235-Y265 HydrophobicContact CB-CD2 3.99Å; P235-Y265 HydrophobicContact CB-CE1 3.89Å; P235-Y265 HydrophobicContact CB-CE2 4.07Å; P235-Y265 HydrophobicContact CB-CG 3.87Å; P235-Y265 HydrophobicContact CG-CD2 3.84Å; P235-Y265 HydrophobicContact CG-CE2 3.87Å; P235-Y265 HydrophobicContact CG-CG 4.21Å; I261-Y265 HydrophobicContact CB-CD2 4.28Å; I261-Y265 WeakPolarHBondContact O-CB 3.19Å; I261-Y265 WeakPolarHBondContact O-CD2 3.49Å; I261-Y265 PolarHBondContact O-N 3.44Å; E263-Y265 VanDerWaalsContact C-N 3.29Å; E263-Y265 PolarHBondContact O-N 3.23Å; Y265-L267 VanDerWaalsContact C-N 3.29Å; Y265-L267 PolarHBondContact O-N 2.93Å |
| 266 | Q | 97.2 | Very high | 97.1 | Very high | 163 Ų | 163 | 69.2 Ų | 69.2 | 76% | 0.762 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 40.5 | 178 | -58 | 179.8 | -18.2 | 0 | 0 | 113.8 | R262 E263 H268 | R262-Q266 CarbonylContact O-C 3.6Å; R262-Q266 WeakPolarHBondContact O-CA 3.47Å; R262-Q266 PolarHBondContact O-N 2.83Å; R262-Q266 VanDerWaalsContact O-N 3.15Å; E263-Q266 PolarHBondContact O-N 2.85Å; Q266-H268 VanDerWaalsContact C-N 3.33Å; Q266-H268 PolarHBondContact O-N 2.84Å |
| 267 | L | 97.6 | Very high | 97 | Very high | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | trans | -90.5 | 19.6 | -173.8 | -56.8 | 177.2 | 0 | 0 | 0 | 114 | I234 C238 R262 Y265 S269 R270 V271 | I234-L267 HydrophobicContact CG2-CD1 3.7Å; C238-L267 HydrophobicContact CB-CD1 4.45Å; C238-L267 HydrophobicContact CB-CD2 3.89Å; R262-L267 HydrophobicContact CG-CB 4.18Å; R262-L267 PolarHBondContact O-N 2.9Å; Y265-L267 VanDerWaalsContact C-N 3.29Å; Y265-L267 PolarHBondContact O-N 2.93Å; L267-S269 VanDerWaalsContact C-N 3.27Å; L267-S269 PolarHBondContact O-N 2.92Å; L267-R270 CarbonylContact O-C 3.22Å; L267-R270 PolarHBondContact O-N 3.06Å; L267-V271 HydrophobicContact CB-CB 4.34Å; L267-V271 HydrophobicContact CB-CG2 3.83Å; L267-V271 HydrophobicContact CD1-CG2 4.16Å; L267-V271 PolarHBondContact O-N 3.37Å | ||
| 268 | H | 96.6 | Very high | 96.6 | Very high | 82 Ų | 82 | 67.5 Ų | 67.5 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -36.6 | -176.3 | -70.3 | 94.3 | 0 | 0 | 0 | 114.8 | R262 E263 Q266 R270 | R262-H268 PolarHBondContact NE-CD2 2.63Å; R262-H268 PolarHBondContact NE-NE2 2.98Å; E263-H268 IonicContact OE2-CE1 3.02Å; E263-H268 PolarHBondContact OE2-CE1 2.84Å; E263-H268 IonicContact OE2-NE2 3.27Å; E263-H268 PolarHBondContact OE2-NE2 3.47Å; Q266-H268 VanDerWaalsContact C-N 3.33Å; Q266-H268 PolarHBondContact O-N 2.84Å; H268-R270 VanDerWaalsContact C-N 3.32Å |
| 269 | S | 95.6 | Very high | 96.3 | Very high | 87 Ų | 87 | 71.3 Ų | 71.3 | 61% | 0.608 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -13.9 | 177.2 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | L267 | L267-S269 VanDerWaalsContact C-N 3.27Å; L267-S269 PolarHBondContact O-N 2.92Å |
| 270 | R | 96.8 | Very high | 96 | Very high | 60 Ų | 60 | 75.3 Ų | 75.3 | 23% | 0.226 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -20.9 | -172.9 | -62.4 | -165.7 | -69.5 | -164.6 | 4.4 | 114 | C238 R245 F246 L267 H268 | C238-R270 VanDerWaalsContact O-CZ 3.28Å; C238-R270 PolarHBondContact O-NH1 2.89Å; C238-R270 PolarHBondContact O-NH2 3.28Å; R245-R270 CarbonylContact C-O 3.51Å; R245-R270 VanDerWaalsContact CA-O 3.3Å; R245-R270 WeakPolarHBondContact CA-O 3.35Å; R245-R270 WeakPolarHBondContact CG-O 3.49Å; F246-R270 PolarHBondContact N-O 3.29Å; L267-R270 CarbonylContact O-C 3.22Å; L267-R270 PolarHBondContact O-N 3.06Å; H268-R270 VanDerWaalsContact C-N 3.32Å |
| 271 | V | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.006 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 100.6 | -177.8 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | I234 F246 I248 R262 L267 L273 | I234-V271 HydrophobicContact CG2-CG2 3.63Å; F246-V271 HydrophobicContact CB-CG1 4.44Å; F246-V271 HydrophobicContact CB-CG2 4.33Å; F246-V271 HydrophobicContact CD2-CG2 4.27Å; I248-V271 HydrophobicContact CD1-CG1 4Å; R262-V271 VanDerWaalsContact CD-O 3.25Å; R262-V271 WeakPolarHBondContact CD-O 3.26Å; R262-V271 HydrophobicContact CG-CB 4.28Å; L267-V271 HydrophobicContact CB-CB 4.34Å; L267-V271 HydrophobicContact CB-CG2 3.83Å; L267-V271 HydrophobicContact CD1-CG2 4.16Å; L267-V271 PolarHBondContact O-N 3.37Å; V271-L273 HydrophobicContact CG1-CD2 4.09Å |
| 272 | N | 97.8 | Very high | 95.9 | Very high | 49 Ų | 49 | 73 Ų | 73 | 26% | 0.262 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 115.1 | -179.6 | -65.8 | 60.4 | 0 | 0 | 0 | 109.9 | R245 F246 L247 I248 | R245-N272 PolarHBondContact NE-OD1 2.55Å; R245-N272 PolarHBondContact NH2-ND2 2.94Å; R245-N272 VanDerWaalsContact NH2-ND2 3.1Å; F246-N272 PolarHBondContact O-N 3.18Å; L247-N272 HydrophobicContact CD2-CB 3.83Å; I248-N272 PolarHBondContact N-O 3.18Å |
| 273 | L | 97.8 | Very high | 96 | Very high | 24 Ų | 24 | 73.6 Ų | 73.6 | 13% | 0.126 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 109 | 173.9 | -53.6 | -178.8 | 0 | 0 | 0 | 108.9 | I248 L258 E259 V271 | I248-L273 HydrophobicContact CB-CD2 3.87Å; I248-L273 HydrophobicContact CD1-CD2 3.8Å; I248-L273 HydrophobicContact CG1-CD2 4.27Å; I248-L273 HydrophobicContact CG2-CD2 4.27Å; L258-L273 HydrophobicContact CB-CD1 4.07Å; L258-L273 HydrophobicContact CB-CD2 4.11Å; L258-L273 HydrophobicContact CD1-CD2 4.16Å; E259-L273 HydrophobicContact CB-CD1 4.47Å; E259-L273 HydrophobicContact CG-CD1 3.43Å; E259-L273 VanDerWaalsContact CG-CD1 3.43Å; V271-L273 HydrophobicContact CG1-CD2 4.09Å |
| 274 | L | 97.3 | Very high | 96 | Very high | 85 Ų | 85 | 70.5 Ų | 70.5 | 45% | 0.445 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -17.5 | -173.3 | -61.3 | 169.5 | 0 | 0 | 0 | 112.9 | I248 L277 L285 | I248-L274 PolarHBondContact O-N 2.67Å; L274-L277 HydrophobicContact CB-CD2 4.3Å; L274-L285 HydrophobicContact CD1-CD1 3.44Å; L274-L285 VanDerWaalsContact CD1-CD1 3.44Å; L274-L285 HydrophobicContact CD1-CD2 3.75Å; L274-L285 HydrophobicContact CD1-CG 4.2Å |
| 275 | G | 96.2 | Very high | 96 | Very high | 7 Ų | 7 | 64.9 Ų | 64.9 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.8 | -166.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G250 L277 | G250-G275 CarbonylContact C-O 3.54Å; G250-G275 WeakPolarHBondContact CA-O 3.26Å; G250-G275 PolarHBondContact N-O 2.94Å; G250-G275 CarbonylContact O-C 3.41Å; G250-G275 VanDerWaalsContact O-CA 3.29Å; G250-G275 WeakPolarHBondContact O-CA 3.49Å; G275-L277 PolarHBondContact O-N 3.45Å |
| 276 | S | 93.9 | Very high | 96.1 | Very high | 81 Ų | 81 | 59.2 Ų | 59.2 | 57% | 0.566 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -60 | 130.5 | -179.5 | -69.9 | 0 | 0 | 0 | 0 | 111.6 | D251 | D251-S276 WeakPolarHBondContact CB-OG 3.29Š|
| 277 | L | 93.6 | Very high | 96.1 | Very high | 43 Ų | 43 | 52 Ų | 52 | 23% | 0.225 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -103.2 | 138.5 | 177.8 | -60.2 | 176.4 | 0 | 0 | 0 | 110.8 | V218 L274 G275 E281 V282 L285 | V218-L277 HydrophobicContact CG1-CD1 4.44Å; L274-L277 HydrophobicContact CB-CD2 4.3Å; G275-L277 PolarHBondContact O-N 3.45Å; L277-E281 HydrophobicContact CB-CB 4.35Å; L277-E281 HydrophobicContact CD2-CB 4.26Å; L277-V282 HydrophobicContact CB-CG2 4.37Å; L277-L285 HydrophobicContact CD1-CD2 3.42Å; L277-L285 VanDerWaalsContact CD1-CD2 3.42Å |
| 278 | Q | 91.1 | Very high | 96.1 | Very high | 109 Ų | 109 | 55.5 Ų | 55.5 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 155.1 | 164 | -59.1 | -57.5 | -41.4 | 0 | 0 | 110.2 | H280 E281 | Q278-H280 PolarHBondContact O-N 2.94Å; Q278-H280 VanDerWaalsContact O-N 3.09Å; Q278-E281 HydrophobicContact CB-CG 4.19Å; Q278-E281 VanDerWaalsContact CB-OE2 3.28Å; Q278-E281 WeakPolarHBondContact CB-OE2 3.35Å; Q278-E281 WeakPolarHBondContact CG-OE2 3.49Å; Q278-E281 PolarHBondContact N-OE2 3.11Å; Q278-E281 WeakPolarHBondContact O-CB 3.28Å; Q278-E281 PolarHBondContact O-N 3.37Å |
| 279 | P | 89.6 | Confident | 96.2 | Very high | 79 Ų | 79 | 51.6 Ų | 51.6 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -53.3 | -36.4 | -177.7 | -30.6 | 36.9 | 0 | 0 | 0 | 114.9 | V28 E281 | V28-P279 HydrophobicContact CG1-CG 3.88Å; P279-E281 VanDerWaalsContact C-N 3.29Å; P279-E281 PolarHBondContact O-N 2.91Å |
| 280 | H | 92.8 | Very high | 96.3 | Very high | 141 Ų | 141 | 47.7 Ų | 47.7 | 65% | 0.653 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -75.9 | -14.3 | -179.8 | 69.6 | -85.3 | 0 | 0 | 0 | 114 | Q278 P284 | Q278-H280 PolarHBondContact O-N 2.94Å; Q278-H280 VanDerWaalsContact O-N 3.09Å; H280-P284 WeakPolarHBondContact O-CD 3.47Å |
| 281 | E | 96 | Very high | 96.4 | Very high | 79 Ų | 79 | 44.9 Ų | 44.9 | 37% | 0.369 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -88.4 | -15.8 | 179.3 | -61 | 177.4 | 116.5 | 0 | 0 | 112.3 | L277 Q278 P279 P284 L285 | L277-E281 HydrophobicContact CB-CB 4.35Å; L277-E281 HydrophobicContact CD2-CB 4.26Å; Q278-E281 HydrophobicContact CB-CG 4.19Å; Q278-E281 VanDerWaalsContact CB-OE2 3.28Å; Q278-E281 WeakPolarHBondContact CB-OE2 3.35Å; Q278-E281 WeakPolarHBondContact CG-OE2 3.49Å; Q278-E281 PolarHBondContact N-OE2 3.11Å; Q278-E281 WeakPolarHBondContact O-CB 3.28Å; Q278-E281 PolarHBondContact O-N 3.37Å; P279-E281 VanDerWaalsContact C-N 3.29Å; P279-E281 PolarHBondContact O-N 2.91Å; E281-P284 WeakPolarHBondContact O-CD 3.33Å; E281-L285 PolarHBondContact O-N 3.25Å |
| 282 | V | 96.7 | Very high | 96.4 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 10% | 0.103 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.4 | -49.6 | -177.8 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | F201 V218 L277 L285 L286 | F201-V282 HydrophobicContact CE1-CB 4.38Å; F201-V282 HydrophobicContact CE1-CG1 4.02Å; V218-V282 HydrophobicContact CG1-CG1 4.37Å; L277-V282 HydrophobicContact CB-CG2 4.37Å; V282-L285 WeakPolarHBondContact O-CB 3.33Å; V282-L285 PolarHBondContact O-N 3.07Å; V282-L286 HydrophobicContact CG1-CD1 3.89Å; V282-L286 HydrophobicContact CG1-CG 4.22Å; V282-L286 WeakPolarHBondContact O-CG 3.49Å; V282-L286 PolarHBondContact O-N 2.83Å |
| 283 | R | 97.8 | Very high | 96.4 | Very high | 68 Ų | 68 | 42.6 Ų | 42.6 | 26% | 0.257 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.6 | -51.9 | 178.7 | 171.1 | -176.3 | 176.1 | -83 | -6.4 | 112.4 | A200 F201 L202 L285 L286 I287 | A200-R283 WeakPolarHBondContact O-CD 3.41Å; F201-R283 HydrophobicContact CD1-CB 4.1Å; F201-R283 HydrophobicContact CE1-CB 4.39Å; L202-R283 PolarHBondContact O-NE 3.35Å; L202-R283 PolarHBondContact O-NH2 3.47Å; R283-L285 PolarHBondContact O-N 3.44Å; R283-L285 VanDerWaalsContact O-N 3.15Å; R283-L286 PolarHBondContact O-N 3.22Å; R283-I287 HydrophobicContact CG-CG2 4.19Å; R283-I287 PolarHBondContact O-N 3.27Å; R283-I287 VanDerWaalsContact O-N 3.08Å |
| 284 | P | 98.2 | Very high | 96.4 | Very high | 58 Ų | 58 | 41.8 Ų | 41.8 | 38% | 0.377 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -53.4 | -32.3 | 177.1 | -29.3 | 35 | 0 | 0 | 0 | 114.1 | H280 E281 I287 Q288 | H280-P284 WeakPolarHBondContact O-CD 3.47Å; E281-P284 WeakPolarHBondContact O-CD 3.33Å; P284-I287 WeakPolarHBondContact O-CG1 3.45Å; P284-Q288 PolarHBondContact O-NE2 3.09Å |
| 285 | L | 98.3 | Very high | 96.4 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72.1 | -49.7 | 173 | 173.8 | 59.8 | 0 | 0 | 0 | 112.2 | V216 V218 L247 L274 L277 E281 V282 R283 I287 Q288 | V216-L285 HydrophobicContact CG1-CD1 4.37Å; V216-L285 HydrophobicContact CG1-CD2 4.2Å; V216-L285 HydrophobicContact CG1-CG 3.88Å; V218-L285 HydrophobicContact CG2-CD2 3.75Å; L247-L285 HydrophobicContact CB-CD1 3.63Å; L247-L285 HydrophobicContact CD1-CD1 3.63Å; L247-L285 HydrophobicContact CG-CD1 4.23Å; L274-L285 HydrophobicContact CD1-CD1 3.44Å; L274-L285 VanDerWaalsContact CD1-CD1 3.44Å; L274-L285 HydrophobicContact CD1-CD2 3.75Å; L274-L285 HydrophobicContact CD1-CG 4.2Å; L277-L285 HydrophobicContact CD1-CD2 3.42Å; L277-L285 VanDerWaalsContact CD1-CD2 3.42Å; E281-L285 PolarHBondContact O-N 3.25Å; V282-L285 WeakPolarHBondContact O-CB 3.33Å; V282-L285 PolarHBondContact O-N 3.07Å; R283-L285 PolarHBondContact O-N 3.44Å; R283-L285 VanDerWaalsContact O-N 3.15Å; L285-I287 PolarHBondContact O-N 3.11Å; L285-Q288 WeakPolarHBondContact O-CB 3.48Å; L285-Q288 PolarHBondContact O-N 3.18Å |
| 286 | L | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.8 | -47.7 | -177.3 | -71.7 | 173 | 0 | 0 | 0 | 111.6 | F201 V216 V218 V282 R283 Q288 G289 F292 E307 A308 C311 L313 | F201-L286 HydrophobicContact CD1-CD1 3.97Å; F201-L286 HydrophobicContact CE1-CD1 4.08Å; V216-L286 HydrophobicContact CG1-CD2 3.97Å; V218-L286 HydrophobicContact CG2-CD2 4.32Å; V282-L286 HydrophobicContact CG1-CD1 3.89Å; V282-L286 HydrophobicContact CG1-CG 4.22Å; V282-L286 WeakPolarHBondContact O-CG 3.49Å; V282-L286 PolarHBondContact O-N 2.83Å; R283-L286 PolarHBondContact O-N 3.22Å; L286-Q288 PolarHBondContact O-N 2.68Å; L286-G289 PolarHBondContact O-N 2.82Å; L286-F292 HydrophobicContact CD2-CD2 3.66Å; L286-F292 HydrophobicContact CD2-CE2 3.92Å; L286-E307 HydrophobicContact CD1-CB 3.97Å; L286-A308 HydrophobicContact CD2-CB 4.26Å; L286-C311 HydrophobicContact CB-CB 3.99Å; L286-C311 HydrophobicContact CD1-CB 4.48Å; L286-L313 HydrophobicContact CB-CD1 4.28Å; L286-L313 HydrophobicContact CD2-CD2 4.36Å; L286-L313 WeakPolarHBondContact O-CD1 3.38Å; L286-L313 WeakPolarHBondContact O-CD2 3.34Å |
| 287 | I | 98.3 | Very high | 96.4 | Very high | 11 Ų | 11 | 36.2 Ų | 36.2 | 6% | 0.056 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -13.3 | -175.7 | 64.4 | -179.5 | 0 | 0 | 0 | 114.5 | D204 C207 R283 P284 L285 G289 C311 | D204-I287 HydrophobicContact CB-CB 4.33Å; D204-I287 HydrophobicContact CB-CD1 4.21Å; D204-I287 HydrophobicContact CB-CG2 4.32Å; C207-I287 HydrophobicContact CB-CB 4.35Å; C207-I287 HydrophobicContact CB-CD1 4.14Å; C207-I287 HydrophobicContact CB-CG1 3.97Å; R283-I287 HydrophobicContact CG-CG2 4.19Å; R283-I287 PolarHBondContact O-N 3.27Å; R283-I287 VanDerWaalsContact O-N 3.08Å; P284-I287 WeakPolarHBondContact O-CG1 3.45Å; L285-I287 PolarHBondContact O-N 3.11Å; I287-G289 VanDerWaalsContact C-N 3.32Å; I287-C311 HydrophobicContact CG2-CB 4.24Å |
| 288 | Q | 98 | Very high | 96.3 | Very high | 75 Ų | 75 | 37 Ų | 37 | 35% | 0.35 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -16.8 | 171.6 | -67.4 | 172.2 | 63.3 | 0 | 0 | 112.8 | L247 P284 L285 L286 | L247-Q288 HydrophobicContact CD1-CB 3.98Å; P284-Q288 PolarHBondContact O-NE2 3.09Å; L285-Q288 WeakPolarHBondContact O-CB 3.48Å; L285-Q288 PolarHBondContact O-N 3.18Å; L286-Q288 PolarHBondContact O-N 2.68Å |
| 289 | G | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -89.1 | 151.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R208 T214 L286 I287 | R208-G289 PolarHBondContact NE-O 3.23Å; T214-G289 WeakPolarHBondContact O-CA 3.38Å; L286-G289 PolarHBondContact O-N 2.82Å; I287-G289 VanDerWaalsContact C-N 3.32Å | ||
| 290 | D | 97.4 | Very high | 96.5 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 3% | 0.032 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -92.2 | -40.3 | 165.1 | -60 | -78.7 | 0 | 0 | 0 | 111.1 | I213 T214 M314 V353 R357 | I213-D290 WeakPolarHBondContact CA-OD2 3.34Å; I213-D290 HydrophobicContact CG2-CB 4.42Å; T214-D290 PolarHBondContact N-OD2 3.39Å; T214-D290 PolarHBondContact O-N 3.15Å; D290-M314 PolarHBondContact O-N 3.46Å; D290-V353 HydrophobicContact CB-CG1 3.96Å; D290-R357 IonicContact OD1-CZ 3.08Å; D290-R357 IonicContact OD1-NE 2.95Å; D290-R357 IonicContact OD1-NH2 2.77Å; D290-R357 PolarHBondContact OD1-NH2 2.79Å; D290-R357 IonicContact OD2-CZ 3.38Å; D290-R357 IonicContact OD2-NH2 3.82Å; D290-R357 PolarHBondContact OD2-NH2 3.36Å |
| 291 | I | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 135.7 | -173.8 | -63.9 | 167.8 | 0 | 0 | 0 | 108.5 | I213 T214 I215 V216 M314 I316 I350 V353 | I213-I291 HydrophobicContact CG2-CD1 4.48Å; T214-I291 PolarHBondContact O-N 3.2Å; I215-I291 CarbonylContact C-O 3.56Å; I215-I291 WeakPolarHBondContact CA-O 3.27Å; I215-I291 HydrophobicContact CG1-CB 4.11Å; I215-I291 HydrophobicContact CG1-CD1 4.39Å; I215-I291 HydrophobicContact CG1-CG2 4.34Å; I215-I291 HydrophobicContact CG2-CG2 4.44Å; V216-I291 PolarHBondContact N-O 3.45Å; I291-M314 CarbonylContact C-O 3.51Å; I291-M314 VanDerWaalsContact CA-O 3.26Å; I291-M314 WeakPolarHBondContact CA-O 3.35Å; I291-M314 HydrophobicContact CG1-CB 4.35Å; I291-I316 HydrophobicContact CG2-CD1 3.59Å; I291-I316 HydrophobicContact CG2-CG1 3.89Å; I291-I350 HydrophobicContact CD1-CG1 4.14Å; I291-V353 HydrophobicContact CD1-CG2 4.08Å; I291-V353 HydrophobicContact CG1-CG2 4.06Å |
| 292 | F | 98.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 0% | 0.004 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128 | 165.9 | -178.7 | -94.7 | 0 | 0 | 0 | 109.6 | V216 V218 L286 N294 A304 I305 A308 L313 M314 V315 I316 | V216-F292 HydrophobicContact CG1-CD2 4.36Å; V216-F292 WeakPolarHBondContact O-CA 3.25Å; V218-F292 HydrophobicContact CB-CE2 4.04Å; V218-F292 HydrophobicContact CG2-CE2 4.21Å; L286-F292 HydrophobicContact CD2-CD2 3.66Å; L286-F292 HydrophobicContact CD2-CE2 3.92Å; F292-N294 HydrophobicContact CE1-CB 4.04Å; F292-A304 HydrophobicContact CE1-CB 4.4Å; F292-A304 HydrophobicContact CZ-CB 3.79Å; F292-I305 HydrophobicContact CD1-CG2 4.17Å; F292-I305 HydrophobicContact CE1-CG2 3.84Å; F292-A308 HydrophobicContact CB-CB 3.44Å; F292-A308 VanDerWaalsContact CB-CB 3.44Å; F292-A308 HydrophobicContact CD1-CB 3.74Å; F292-A308 HydrophobicContact CD2-CB 3.66Å; F292-A308 HydrophobicContact CE1-CB 4.38Å; F292-A308 HydrophobicContact CE2-CB 4.31Å; F292-A308 HydrophobicContact CG-CB 3.32Å; F292-L313 HydrophobicContact CB-CB 4.11Å; F292-L313 HydrophobicContact CB-CD2 3.9Å; F292-M314 PolarHBondContact N-O 3.47Å; F292-V315 HydrophobicContact CB-CG2 4.3Å; F292-V315 HydrophobicContact CD1-CG1 4.39Å; F292-I316 PolarHBondContact O-N 3.1Å |
| 293 | L | 98.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 118.8 | -177.5 | 176.7 | 64.8 | 0 | 0 | 0 | 111.1 | I215 V216 V217 L230 I233 F246 T295 I316 L342 V346 | I215-L293 HydrophobicContact CG2-CB 3.55Å; I215-L293 HydrophobicContact CG2-CD2 4.16Å; V216-L293 PolarHBondContact O-N 3.48Å; V217-L293 HydrophobicContact CG2-CB 4.05Å; V217-L293 HydrophobicContact CG2-CD2 4.45Å; V217-L293 HydrophobicContact CG2-CG 4.5Å; L230-L293 HydrophobicContact CD1-CD2 3.68Å; I233-L293 HydrophobicContact CD1-CD2 3.96Å; F246-L293 HydrophobicContact CE1-CD2 4.33Å; L293-T295 HydrophobicContact CD1-CG2 4.02Å; L293-T295 HydrophobicContact CD2-CG2 4.1Å; L293-T295 HydrophobicContact CG-CG2 3.83Å; L293-I316 WeakPolarHBondContact CA-O 3.5Å; L293-I316 HydrophobicContact CD1-CB 4.05Å; L293-I316 HydrophobicContact CD1-CG2 3.99Å; L293-L342 HydrophobicContact CD1-CD1 4.18Å; L293-V346 HydrophobicContact CD1-CG2 3.91Å |
| 294 | N | 97.9 | Very high | 95.9 | Very high | 8 Ų | 8 | 18.7 Ų | 18.7 | 4% | 0.043 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 118.7 | 172.6 | 176.8 | 66.6 | 0 | 0 | 0 | 110.6 | F292 S296 I305 I316 S317 T318 L323 | F292-N294 HydrophobicContact CE1-CB 4.04Å; N294-S296 PolarHBondContact OD1-OG 3.13Å; N294-I305 HydrophobicContact CB-CG2 4.13Å; N294-I316 PolarHBondContact N-O 3.35Å; N294-S317 PolarHBondContact ND2-OG 3.1Å; N294-S317 CarbonylContact O-C 3.51Å; N294-S317 VanDerWaalsContact O-CA 3.25Å; N294-S317 WeakPolarHBondContact O-CA 3.22Å; N294-T318 PolarHBondContact O-N 3.33Å; N294-L323 WeakPolarHBondContact ND2-CD1 3.12Å |
| 295 | T | 97.5 | Very high | 95.9 | Very high | 3 Ų | 3 | 15.9 Ų | 15.9 | 2% | 0.018 | 9% | 0.086 | C | C | . | . | trans | -109.1 | 17.7 | -177.6 | 62.4 | 0 | 0 | 0 | 0 | 113.6 | K225 G226 L230 L293 L342 | K225-T295 CarbonylContact O-C 3.2Å; K225-T295 VanDerWaalsContact O-C 3.27Å; K225-T295 PolarHBondContact O-OG1 3.01Å; K225-T295 VanDerWaalsContact O-OG1 3.06Å; G226-T295 VanDerWaalsContact CA-O 3.24Å; G226-T295 WeakPolarHBondContact CA-O 3.2Å; G226-T295 WeakPolarHBondContact O-CB 3.45Å; G226-T295 PolarHBondContact O-OG1 3.44Å; L230-T295 HydrophobicContact CB-CG2 4.33Å; L230-T295 HydrophobicContact CD1-CG2 4.5Å; L293-T295 HydrophobicContact CD1-CG2 4.02Å; L293-T295 HydrophobicContact CD2-CG2 4.1Å; L293-T295 HydrophobicContact CG-CG2 3.83Å; T295-L342 HydrophobicContact CG2-CD2 3.73Å | ||
| 296 | S | 95.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -48.7 | 142.6 | -176.8 | -76.3 | 0 | 0 | 0 | 0 | 113.9 | K225 N294 E299 T318 V320 | K225-S296 WeakPolarHBondContact CD-OG 3.18Å; K225-S296 PolarHBondContact O-N 3.02Å; N294-S296 PolarHBondContact OD1-OG 3.13Å; S296-E299 WeakPolarHBondContact CB-OE2 3.31Å; S296-E299 PolarHBondContact OG-OE2 2.97Å; S296-T318 PolarHBondContact N-OG1 2.78Å; S296-T318 WeakPolarHBondContact O-CB 3.35Å; S296-T318 PolarHBondContact O-OG1 3.33Å; S296-V320 WeakPolarHBondContact O-CG2 3.28Å | ||
| 297 | L | 94.5 | Very high | 95.7 | Very high | 52 Ų | 52 | 17.5 Ų | 17.5 | 27% | 0.272 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -92.2 | -18.6 | 173.1 | -59.7 | 179.5 | 0 | 0 | 0 | 112.4 | Y223 R224 L229 A337 | Y223-L297 HydrophobicContact CD1-CD1 4.3Å; Y223-L297 HydrophobicContact CE1-CD1 3.85Å; Y223-L297 HydrophobicContact CE2-CD1 4.16Å; Y223-L297 WeakPolarHBondContact O-CD1 3.41Å; R224-L297 PolarHBondContact O-N 3.37Å; L229-L297 HydrophobicContact CD1-CD2 3.72Å; L229-L297 HydrophobicContact CG-CD2 4.31Å; L297-A337 HydrophobicContact CD2-CB 4.21Å |
| 298 | T | 91.3 | Very high | 95.7 | Very high | 60 Ų | 60 | 17 Ų | 17 | 37% | 0.368 | 9% | 0.09 | S | C | . | . | trans | -154.3 | 136.9 | 175.7 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | R224 | R224-T298 HydrophobicContact CB-CG2 4.26Š| ||
| 299 | E | 91.6 | Very high | 95.7 | Very high | 32 Ų | 32 | 13.4 Ų | 13.4 | 15% | 0.15 | 7% | 0.073 | C | C | . | . | trans | -156.2 | 128.6 | 177.3 | -155 | 84 | -121.6 | 0 | 0 | 112 | L142 K225 S296 C302 G321 G322 L323 | L142-E299 VanDerWaalsContact CD1-C 3.46Å; L142-E299 WeakPolarHBondContact CD1-O 3.48Å; K225-E299 IonicContact NZ-OE1 2.72Å; K225-E299 PolarHBondContact NZ-OE1 3.43Å; K225-E299 IonicContact NZ-OE2 3.79Å; K225-E299 PolarHBondContact NZ-OE2 3.33Å; S296-E299 WeakPolarHBondContact CB-OE2 3.31Å; S296-E299 PolarHBondContact OG-OE2 2.97Å; E299-C302 HydrophobicContact CG-CB 3.89Å; E299-G321 CarbonylContact O-C 3.57Å; E299-G321 WeakPolarHBondContact O-CA 3.49Å; E299-G322 PolarHBondContact O-N 3.41Å; E299-L323 HydrophobicContact CB-CD1 3.91Å; E299-L323 HydrophobicContact CB-CD2 4.49Å; E299-L323 HydrophobicContact CB-CG 3.99Å; E299-L323 HydrophobicContact CG-CD2 4.49Å | ||
| 300 | A | 91.9 | Very high | 95.7 | Very high | 5 Ų | 5 | 13.4 Ų | 13.4 | 4% | 0.041 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -71.5 | -47.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | H140 L142 V170 S171 | H140-A300 WeakPolarHBondContact O-CB 3.39Å; L142-A300 HydrophobicContact CD1-CB 4.5Å; L142-A300 HydrophobicContact CG-CB 3.89Å; V170-A300 HydrophobicContact CG2-CB 3.66Å; S171-A300 WeakPolarHBondContact CB-O 3.39Å; S171-A300 PolarHBondContact OG-O 3.18Å |
| 301 | F | 92.2 | Very high | 95.7 | Very high | 17 Ų | 17 | 13.1 Ų | 13.1 | 8% | 0.075 | 7% | 0.072 | C | C | . | . | trans | -162.8 | 126.4 | 178 | -168.4 | -83.4 | 0 | 0 | 0 | 108.5 | V170 P193 N194 I303 L306 V326 Y426 | V170-F301 HydrophobicContact CB-CB 3.9Å; V170-F301 HydrophobicContact CB-CG 4.44Å; V170-F301 HydrophobicContact CG2-CB 3.63Å; V170-F301 VanDerWaalsContact O-CD2 3.24Å; V170-F301 WeakPolarHBondContact O-CD2 3.31Å; P193-F301 HydrophobicContact CB-CD2 4.23Å; P193-F301 HydrophobicContact CB-CE2 3.5Å; P193-F301 HydrophobicContact CB-CZ 3.93Å; N194-F301 HydrophobicContact CB-CD1 3.64Å; N194-F301 HydrophobicContact CB-CE1 3.68Å; N194-F301 HydrophobicContact CB-CG 4.36Å; N194-F301 HydrophobicContact CB-CZ 4.44Å; F301-I303 HydrophobicContact CD1-CG1 4.36Å; F301-L306 HydrophobicContact CE1-CD1 3.59Å; F301-L306 HydrophobicContact CE1-CG 4.18Å; F301-L306 HydrophobicContact CZ-CD1 3.83Å; F301-L306 HydrophobicContact CZ-CG 4.43Å; F301-V326 HydrophobicContact CD2-CG2 3.78Å; F301-V326 HydrophobicContact CE1-CG1 4.23Å; F301-V326 HydrophobicContact CE2-CB 4.29Å; F301-V326 HydrophobicContact CE2-CG1 3.83Å; F301-V326 HydrophobicContact CE2-CG2 3.78Å; F301-V326 HydrophobicContact CG-CG2 4.37Å; F301-V326 HydrophobicContact CZ-CG1 3.66Å; F301-V326 HydrophobicContact CZ-CG2 4.36Å; F301-Y426 HydrophobicContact CE2-CE1 4.12Å; F301-Y426 HydrophobicContact CZ-CD1 4.09Å; F301-Y426 AromaticContact CZ-CE1 3.74Å; F301-Y426 HydrophobicContact CZ-CE1 3.74Å | ||
| 302 | C | 92.5 | Very high | 95.7 | Very high | 5 Ų | 5 | 13.3 Ų | 13.3 | 3% | 0.034 | 7% | 0.074 | C | C | . | . | trans | -96.5 | 114.6 | -179.9 | -171.3 | 0 | 0 | 0 | 0 | 110.5 | E299 I305 L323 | E299-C302 HydrophobicContact CG-CB 3.89Å; C302-I305 HydrophobicContact CB-CD1 4.13Å; C302-I305 HydrophobicContact CB-CG1 3.88Å; C302-I305 HydrophobicContact CB-CG2 4.32Å; C302-I305 WeakPolarHBondContact O-CG1 3.41Å; C302-L323 HydrophobicContact CB-CD2 3.51Å | ||
| 303 | I | 93.5 | Very high | 95.6 | Very high | 32 Ų | 32 | 13.2 Ų | 13.2 | 16% | 0.164 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -72.7 | -33.9 | 175.1 | -62 | 172.8 | 0 | 0 | 0 | 110.5 | N194 F301 I305 L306 E307 | N194-I303 HydrophobicContact CB-CD1 4.26Å; N194-I303 HydrophobicContact CB-CG1 4.14Å; F301-I303 HydrophobicContact CD1-CG1 4.36Å; I303-I305 VanDerWaalsContact C-N 3.28Å; I303-I305 PolarHBondContact O-N 3.3Å; I303-L306 WeakPolarHBondContact O-CA 3.45Å; I303-L306 VanDerWaalsContact O-CB 3.31Å; I303-L306 WeakPolarHBondContact O-CB 3.44Å; I303-L306 PolarHBondContact O-N 3.45Å; I303-E307 HydrophobicContact CG2-CG 4.19Å; I303-E307 WeakPolarHBondContact O-CG 3.18Å; I303-E307 PolarHBondContact O-N 3.04Å |
| 304 | A | 94.5 | Very high | 95.5 | Very high | 17 Ų | 17 | 14.9 Ų | 14.9 | 14% | 0.14 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.9 | -30 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F292 L306 E307 A308 | F292-A304 HydrophobicContact CE1-CB 4.4Å; F292-A304 HydrophobicContact CZ-CB 3.79Å; A304-L306 VanDerWaalsContact C-N 3.35Å; A304-E307 PolarHBondContact O-N 2.87Å; A304-A308 WeakPolarHBondContact O-CB 3.26Å; A304-A308 PolarHBondContact O-N 2.7Å |
| 305 | I | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -70.2 | -32.9 | 172.4 | 61.5 | 172.6 | 0 | 0 | 0 | 111.6 | F292 N294 C302 I303 A308 V309 V315 L323 V326 L327 I332 | F292-I305 HydrophobicContact CD1-CG2 4.17Å; F292-I305 HydrophobicContact CE1-CG2 3.84Å; N294-I305 HydrophobicContact CB-CG2 4.13Å; C302-I305 HydrophobicContact CB-CD1 4.13Å; C302-I305 HydrophobicContact CB-CG1 3.88Å; C302-I305 HydrophobicContact CB-CG2 4.32Å; C302-I305 WeakPolarHBondContact O-CG1 3.41Å; I303-I305 VanDerWaalsContact C-N 3.28Å; I303-I305 PolarHBondContact O-N 3.3Å; I305-A308 PolarHBondContact O-N 2.95Å; I305-V309 WeakPolarHBondContact O-CG2 3.5Å; I305-V309 PolarHBondContact O-N 2.58Å; I305-V315 HydrophobicContact CB-CG1 4.04Å; I305-V315 HydrophobicContact CG2-CG1 3.75Å; I305-L323 HydrophobicContact CD1-CD2 3.72Å; I305-V326 HydrophobicContact CD1-CB 3.76Å; I305-V326 HydrophobicContact CD1-CG1 3.65Å; I305-V326 HydrophobicContact CD1-CG2 4.19Å; I305-V326 HydrophobicContact CG1-CG1 4.21Å; I305-L327 HydrophobicContact CB-CD1 4.26Å; I305-L327 HydrophobicContact CD1-CD1 4.02Å; I305-L327 HydrophobicContact CD1-CG 4.38Å; I305-L327 HydrophobicContact CG1-CD1 4.28Å; I305-I332 HydrophobicContact CD1-CD1 4.31Å |
| 306 | L | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.8 | -42.6 | 173.6 | -58.5 | -172.9 | 0 | 0 | 0 | 110.7 | V196 F301 I303 A304 A308 V309 S310 V326 L327 I422 Y426 | V196-L306 HydrophobicContact CB-CB 4.33Å; V196-L306 HydrophobicContact CG1-CB 4.12Å; F301-L306 HydrophobicContact CE1-CD1 3.59Å; F301-L306 HydrophobicContact CE1-CG 4.18Å; F301-L306 HydrophobicContact CZ-CD1 3.83Å; F301-L306 HydrophobicContact CZ-CG 4.43Å; I303-L306 WeakPolarHBondContact O-CA 3.45Å; I303-L306 VanDerWaalsContact O-CB 3.31Å; I303-L306 WeakPolarHBondContact O-CB 3.44Å; I303-L306 PolarHBondContact O-N 3.45Å; A304-L306 VanDerWaalsContact C-N 3.35Å; L306-A308 VanDerWaalsContact C-N 3.32Å; L306-A308 PolarHBondContact O-N 2.83Å; L306-V309 PolarHBondContact O-N 2.76Å; L306-S310 WeakPolarHBondContact O-CB 3.34Å; L306-S310 PolarHBondContact O-N 2.87Å; L306-V326 HydrophobicContact CD2-CG1 3.5Å; L306-V326 HydrophobicContact CG-CG1 4.23Å; L306-L327 HydrophobicContact CD2-CD2 3.91Å; L306-I422 HydrophobicContact CB-CD1 4.48Å; L306-I422 HydrophobicContact CD2-CD1 3.82Å; L306-Y426 HydrophobicContact CD1-CD1 4.11Å; L306-Y426 HydrophobicContact CD1-CD2 4.05Å; L306-Y426 HydrophobicContact CD1-CG 3.74Å; L306-Y426 HydrophobicContact CD2-CD2 3.58Å; L306-Y426 HydrophobicContact CD2-CE2 3.69Å; L306-Y426 HydrophobicContact CD2-CG 4.16Å; L306-Y426 HydrophobicContact CG-CD2 4.47Å |
| 307 | E | 97.3 | Very high | 95.7 | Very high | 42 Ų | 42 | 14.4 Ų | 14.4 | 20% | 0.196 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -58.3 | -45.3 | 174.7 | -63.7 | 172.9 | 167.6 | 0 | 0 | 110.8 | V196 F201 L286 I303 A304 S310 C311 | V196-E307 HydrophobicContact CG2-CG 3.79Å; F201-E307 HydrophobicContact CD1-CB 3.87Å; F201-E307 HydrophobicContact CD1-CG 4.21Å; F201-E307 HydrophobicContact CD2-CB 4.49Å; F201-E307 HydrophobicContact CD2-CG 4.13Å; F201-E307 HydrophobicContact CE1-CB 3.74Å; F201-E307 HydrophobicContact CE1-CG 3.77Å; F201-E307 HydrophobicContact CE2-CB 4.39Å; F201-E307 HydrophobicContact CE2-CG 3.68Å; F201-E307 HydrophobicContact CG-CB 4.25Å; F201-E307 HydrophobicContact CG-CG 4.38Å; F201-E307 HydrophobicContact CZ-CB 4.01Å; F201-E307 VanDerWaalsContact CZ-CD 3.44Å; F201-E307 HydrophobicContact CZ-CG 3.48Å; F201-E307 VanDerWaalsContact CZ-CG 3.48Å; F201-E307 WeakPolarHBondContact CZ-OE1 3.24Å; L286-E307 HydrophobicContact CD1-CB 3.97Å; I303-E307 HydrophobicContact CG2-CG 4.19Å; I303-E307 WeakPolarHBondContact O-CG 3.18Å; I303-E307 PolarHBondContact O-N 3.04Å; A304-E307 PolarHBondContact O-N 2.87Å; E307-S310 PolarHBondContact O-N 2.8Å; E307-C311 PolarHBondContact O-N 2.71Å |
| 308 | A | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.6 | -48.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L286 F292 A304 I305 L306 S310 C311 G312 L313 V315 | L286-A308 HydrophobicContact CD2-CB 4.26Å; F292-A308 HydrophobicContact CB-CB 3.44Å; F292-A308 VanDerWaalsContact CB-CB 3.44Å; F292-A308 HydrophobicContact CD1-CB 3.74Å; F292-A308 HydrophobicContact CD2-CB 3.66Å; F292-A308 HydrophobicContact CE1-CB 4.38Å; F292-A308 HydrophobicContact CE2-CB 4.31Å; F292-A308 HydrophobicContact CG-CB 3.32Å; A304-A308 WeakPolarHBondContact O-CB 3.26Å; A304-A308 PolarHBondContact O-N 2.7Å; I305-A308 PolarHBondContact O-N 2.95Å; L306-A308 VanDerWaalsContact C-N 3.32Å; L306-A308 PolarHBondContact O-N 2.83Å; A308-S310 VanDerWaalsContact C-N 3.28Å; A308-S310 PolarHBondContact O-N 3.34Å; A308-C311 CarbonylContact O-C 3.56Å; A308-C311 PolarHBondContact O-N 3.1Å; A308-G312 PolarHBondContact O-N 2.97Å; A308-G312 VanDerWaalsContact O-N 3.12Å; A308-L313 HydrophobicContact CB-CB 4.46Å; A308-L313 WeakPolarHBondContact O-CD1 3.28Å; A308-L313 PolarHBondContact O-N 3.5Å; A308-V315 HydrophobicContact CB-CG2 4.02Å |
| 309 | V | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.2 | -39.2 | 174.7 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | I305 L306 C311 G312 V315 L327 F331 M418 I422 | I305-V309 WeakPolarHBondContact O-CG2 3.5Å; I305-V309 PolarHBondContact O-N 2.58Å; L306-V309 PolarHBondContact O-N 2.76Å; V309-C311 PolarHBondContact O-N 3.42Å; V309-G312 WeakPolarHBondContact O-CA 3.32Å; V309-G312 PolarHBondContact O-N 2.91Å; V309-V315 HydrophobicContact CG2-CB 4.38Å; V309-V315 HydrophobicContact CG2-CG2 3.45Å; V309-V315 VanDerWaalsContact CG2-CG2 3.45Å; V309-L327 HydrophobicContact CG2-CD1 3.46Å; V309-L327 VanDerWaalsContact CG2-CD1 3.46Å; V309-L327 HydrophobicContact CG2-CD2 4.08Å; V309-L327 HydrophobicContact CG2-CG 4.42Å; V309-F331 HydrophobicContact CG1-CD2 4Å; V309-F331 HydrophobicContact CG1-CE2 4.48Å; V309-F331 HydrophobicContact CG1-CG 4.39Å; V309-M418 HydrophobicContact CG1-CB 3.73Å; V309-M418 HydrophobicContact CG1-CG 3.99Å; V309-M418 HydrophobicContact CG1-SD 4.03Å; V309-M418 WeakPolarHBondContact O-CB 3.36Å; V309-I422 HydrophobicContact CB-CD1 3.94Å; V309-I422 HydrophobicContact CB-CG1 3.94Å; V309-I422 HydrophobicContact CG1-CD1 3.75Å; V309-I422 HydrophobicContact CG1-CG1 3.5Å |
| 310 | S | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.4 | -34.4 | 177.2 | -162.6 | 0 | 0 | 0 | 0 | 112.2 | F201 P203 L306 E307 A308 G312 H419 | F201-S310 CarbonylContact O-C 3.55Å; F201-S310 VanDerWaalsContact O-C 3.22Å; F201-S310 PolarHBondContact O-OG 3.03Å; P203-S310 WeakPolarHBondContact CD-O 3.43Å; L306-S310 WeakPolarHBondContact O-CB 3.34Å; L306-S310 PolarHBondContact O-N 2.87Å; E307-S310 PolarHBondContact O-N 2.8Å; A308-S310 VanDerWaalsContact C-N 3.28Å; A308-S310 PolarHBondContact O-N 3.34Å; S310-G312 VanDerWaalsContact C-N 3.3Å; S310-H419 WeakPolarHBondContact O-CB 3.19Å; S310-H419 PolarHBondContact O-ND1 3.43Å; S310-H419 PolarHBondContact OG-ND1 2.75Å; S310-H419 VanDerWaalsContact OG-ND1 3.11Å |
| 311 | C | 98.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.007 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 0.1 | 171.9 | -74.4 | 0 | 0 | 0 | 0 | 114.6 | P203 L286 I287 E307 A308 V309 L313 | P203-C311 WeakPolarHBondContact CB-O 3.38Å; L286-C311 HydrophobicContact CB-CB 3.99Å; L286-C311 HydrophobicContact CD1-CB 4.48Å; I287-C311 HydrophobicContact CG2-CB 4.24Å; E307-C311 PolarHBondContact O-N 2.71Å; A308-C311 CarbonylContact O-C 3.56Å; A308-C311 PolarHBondContact O-N 3.1Å; V309-C311 PolarHBondContact O-N 3.42Å; C311-L313 HydrophobicContact CB-CD1 3.61Å |
| 312 | G | 96.5 | Very high | 96.3 | Very high | 3 Ų | 3 | 11 Ų | 11 | 3% | 0.031 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 22.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | R208 A308 V309 S310 C415 M418 | R208-G312 PolarHBondContact NH2-O 2.86Å; A308-G312 PolarHBondContact O-N 2.97Å; A308-G312 VanDerWaalsContact O-N 3.12Å; V309-G312 WeakPolarHBondContact O-CA 3.32Å; V309-G312 PolarHBondContact O-N 2.91Å; S310-G312 VanDerWaalsContact C-N 3.3Å; G312-C415 PolarHBondContact O-SG 3.24Å; G312-C415 VanDerWaalsContact O-SG 3.39Å; G312-M418 VanDerWaalsContact C-CE 3.49Å; G312-M418 WeakPolarHBondContact O-CE 3.3Å |
| 313 | L | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | P | Polyproline II helix | trans | -86.3 | 144.5 | 178.8 | -72 | 74.3 | 0 | 0 | 0 | 110.5 | V216 L286 F292 A308 C311 V315 | V216-L313 HydrophobicContact CB-CD2 4.22Å; V216-L313 HydrophobicContact CG2-CD2 4.33Å; L286-L313 HydrophobicContact CB-CD1 4.28Å; L286-L313 HydrophobicContact CD2-CD2 4.36Å; L286-L313 WeakPolarHBondContact O-CD1 3.38Å; L286-L313 WeakPolarHBondContact O-CD2 3.34Å; F292-L313 HydrophobicContact CB-CB 4.11Å; F292-L313 HydrophobicContact CB-CD2 3.9Å; A308-L313 HydrophobicContact CB-CB 4.46Å; A308-L313 WeakPolarHBondContact O-CD1 3.28Å; A308-L313 PolarHBondContact O-N 3.5Å; C311-L313 HydrophobicContact CB-CD1 3.61Å; L313-V315 PolarHBondContact O-N 3.4Å |
| 314 | M | 95.7 | Very high | 96.5 | Very high | 36 Ų | 36 | 12.2 Ų | 12.2 | 18% | 0.177 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 121.5 | 166 | -179.4 | -176.7 | -64.5 | 0 | 0 | 108.7 | D290 I291 F292 Q352 V353 | D290-M314 PolarHBondContact O-N 3.46Å; I291-M314 CarbonylContact C-O 3.51Å; I291-M314 VanDerWaalsContact CA-O 3.26Å; I291-M314 WeakPolarHBondContact CA-O 3.35Å; I291-M314 HydrophobicContact CG1-CB 4.35Å; F292-M314 PolarHBondContact N-O 3.47Å; M314-Q352 HydrophobicContact CE-CG 4.42Å; M314-V353 HydrophobicContact CE-CG2 4.16Å |
| 315 | V | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 129.3 | -179.8 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | F292 I305 A308 V309 L313 I332 R333 | F292-V315 HydrophobicContact CB-CG2 4.3Å; F292-V315 HydrophobicContact CD1-CG1 4.39Å; I305-V315 HydrophobicContact CB-CG1 4.04Å; I305-V315 HydrophobicContact CG2-CG1 3.75Å; A308-V315 HydrophobicContact CB-CG2 4.02Å; V309-V315 HydrophobicContact CG2-CB 4.38Å; V309-V315 HydrophobicContact CG2-CG2 3.45Å; V309-V315 VanDerWaalsContact CG2-CG2 3.45Å; L313-V315 PolarHBondContact O-N 3.4Å; V315-I332 HydrophobicContact CB-CG1 4.32Å; V315-I332 HydrophobicContact CG1-CD1 3.89Å; V315-I332 HydrophobicContact CG1-CG1 3.9Å; V315-I332 WeakPolarHBondContact O-CA 3.36Å; V315-R333 PolarHBondContact O-N 3.46Å |
| 316 | I | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 129.8 | 166.4 | -53.8 | 175.2 | 0 | 0 | 0 | 107.4 | I291 F292 L293 N294 R333 L342 I345 V346 S349 | I291-I316 HydrophobicContact CG2-CD1 3.59Å; I291-I316 HydrophobicContact CG2-CG1 3.89Å; F292-I316 PolarHBondContact O-N 3.1Å; L293-I316 WeakPolarHBondContact CA-O 3.5Å; L293-I316 HydrophobicContact CD1-CB 4.05Å; L293-I316 HydrophobicContact CD1-CG2 3.99Å; N294-I316 PolarHBondContact N-O 3.35Å; I316-R333 WeakPolarHBondContact CA-O 3.48Å; I316-R333 HydrophobicContact CG1-CB 4.37Å; I316-L342 HydrophobicContact CG2-CD1 4.33Å; I316-I345 HydrophobicContact CG2-CG2 3.94Å; I316-V346 HydrophobicContact CD1-CB 4.37Å; I316-V346 HydrophobicContact CD1-CG2 4Å; I316-V346 HydrophobicContact CG2-CG2 4.07Å; I316-S349 WeakPolarHBondContact CD1-OG 3.39Å |
| 317 | S | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 150.8 | -178.8 | -174.2 | 0 | 0 | 0 | 0 | 112.1 | N294 L323 R333 L334 A335 | N294-S317 PolarHBondContact ND2-OG 3.1Å; N294-S317 CarbonylContact O-C 3.51Å; N294-S317 VanDerWaalsContact O-CA 3.25Å; N294-S317 WeakPolarHBondContact O-CA 3.22Å; S317-L323 WeakPolarHBondContact OG-CD1 3.46Å; S317-R333 PolarHBondContact N-O 2.88Å; S317-L334 CarbonylContact O-C 3.59Å; S317-L334 VanDerWaalsContact O-CA 3.31Å; S317-L334 WeakPolarHBondContact O-CA 3.27Å; S317-A335 PolarHBondContact O-N 2.94Å |
| 318 | T | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 143 | 158.9 | 48.5 | 0 | 0 | 0 | 0 | 111.4 | L229 N294 S296 V320 L323 A335 A337 | L229-T318 HydrophobicContact CD1-CG2 4.05Å; N294-T318 PolarHBondContact O-N 3.33Å; S296-T318 PolarHBondContact N-OG1 2.78Å; S296-T318 WeakPolarHBondContact O-CB 3.35Å; S296-T318 PolarHBondContact O-OG1 3.33Å; T318-V320 VanDerWaalsContact C-N 3.29Å; T318-V320 PolarHBondContact O-N 3.28Å; T318-V320 VanDerWaalsContact O-N 3.15Å; T318-L323 VanDerWaalsContact O-CD1 3.32Å; T318-L323 WeakPolarHBondContact O-CD1 3.46Å; T318-A335 CarbonylContact C-O 3.6Å; T318-A335 WeakPolarHBondContact CA-O 3.43Å; T318-A337 HydrophobicContact CG2-CB 4.31Å |
| 319 | A | 96.4 | Very high | 95.6 | Very high | 46 Ų | 46 | 23.7 Ų | 23.7 | 38% | 0.38 | 14% | 0.137 | S | C | . | . | trans | -87 | 59.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L334 A335 | A319-L334 HydrophobicContact CB-CB 4.1Å; A319-A335 WeakPolarHBondContact CB-O 3.14Å; A319-A335 PolarHBondContact N-O 3.49Å | ||
| 320 | V | 94.5 | Very high | 95.1 | Very high | 22 Ų | 22 | 28.8 Ų | 28.8 | 13% | 0.133 | 16% | 0.161 | C | C | . | . | trans | -120.6 | 148.8 | -176 | -59.8 | 0 | 0 | 0 | 0 | 112.5 | S296 T318 G322 L323 A337 | S296-V320 WeakPolarHBondContact O-CG2 3.28Å; T318-V320 VanDerWaalsContact C-N 3.29Å; T318-V320 PolarHBondContact O-N 3.28Å; T318-V320 VanDerWaalsContact O-N 3.15Å; V320-G322 PolarHBondContact O-N 2.77Å; V320-L323 HydrophobicContact CG2-CD1 3.71Å; V320-L323 WeakPolarHBondContact O-CB 3.34Å; V320-L323 WeakPolarHBondContact O-CD1 3.37Å; V320-L323 WeakPolarHBondContact O-CG 3.34Å; V320-L323 PolarHBondContact O-N 3.26Å; V320-A337 HydrophobicContact CG1-CB 3.92Å | ||
| 321 | G | 92.5 | Very high | 94.8 | Very high | 28 Ų | 28 | 29 Ų | 29 | 29% | 0.289 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | -136.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | T173 E299 L323 P324 | T173-G321 PolarHBondContact OG1-O 3.18Å; E299-G321 CarbonylContact O-C 3.57Å; E299-G321 WeakPolarHBondContact O-CA 3.49Å; G321-L323 VanDerWaalsContact C-N 3.29Å; G321-L323 PolarHBondContact O-N 3.39Å; G321-P324 WeakPolarHBondContact O-CD 3.33Å |
| 322 | G | 93.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -0.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | E299 V320 P324 E325 V326 | E299-G322 PolarHBondContact O-N 3.41Å; V320-G322 PolarHBondContact O-N 2.77Å; G322-P324 VanDerWaalsContact C-CD 3.48Å; G322-E325 WeakPolarHBondContact O-CB 3.23Å; G322-E325 PolarHBondContact O-N 3.4Å; G322-E325 VanDerWaalsContact O-N 3.09Å; G322-V326 WeakPolarHBondContact O-CG2 3.26Å |
| 323 | L | 94.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -56.6 | -40.9 | -176.5 | -72.4 | 161.9 | 0 | 0 | 0 | 114.4 | N294 E299 C302 I305 S317 T318 V320 G321 E325 V326 | N294-L323 WeakPolarHBondContact ND2-CD1 3.12Å; E299-L323 HydrophobicContact CB-CD1 3.91Å; E299-L323 HydrophobicContact CB-CD2 4.49Å; E299-L323 HydrophobicContact CB-CG 3.99Å; E299-L323 HydrophobicContact CG-CD2 4.49Å; C302-L323 HydrophobicContact CB-CD2 3.51Å; I305-L323 HydrophobicContact CD1-CD2 3.72Å; S317-L323 WeakPolarHBondContact OG-CD1 3.46Å; T318-L323 VanDerWaalsContact O-CD1 3.32Å; T318-L323 WeakPolarHBondContact O-CD1 3.46Å; V320-L323 HydrophobicContact CG2-CD1 3.71Å; V320-L323 WeakPolarHBondContact O-CB 3.34Å; V320-L323 WeakPolarHBondContact O-CD1 3.37Å; V320-L323 WeakPolarHBondContact O-CG 3.34Å; V320-L323 PolarHBondContact O-N 3.26Å; G321-L323 VanDerWaalsContact C-N 3.29Å; G321-L323 PolarHBondContact O-N 3.39Å; L323-E325 PolarHBondContact O-N 2.83Å; L323-E325 VanDerWaalsContact O-N 3.13Å; L323-V326 PolarHBondContact O-N 3.12Å |
| 324 | P | 95.2 | Very high | 94.8 | Very high | 61 Ų | 61 | 36.2 Ų | 36.2 | 40% | 0.396 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -62.1 | -18.3 | 177.3 | -24.4 | 36.2 | 0 | 0 | 0 | 114.7 | G321 G322 L334 | G321-P324 WeakPolarHBondContact O-CD 3.33Å; G322-P324 VanDerWaalsContact C-CD 3.48Å; P324-L334 HydrophobicContact CB-CD1 3.85Å; P324-L334 HydrophobicContact CG-CD1 4.2Å |
| 325 | E | 94 | Very high | 94.8 | Very high | 73 Ų | 73 | 34.5 Ų | 34.5 | 34% | 0.341 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -92.7 | -13.2 | -178.7 | -54.2 | 173 | -132.6 | 0 | 0 | 113.1 | H172 T173 G322 L323 | H172-E325 WeakPolarHBondContact CA-OE2 3.29Å; H172-E325 WeakPolarHBondContact CB-OE2 3.13Å; H172-E325 IonicContact CD2-OE2 3.88Å; H172-E325 PolarHBondContact CD2-OE2 3.37Å; H172-E325 IonicContact CG-OE2 3.01Å; H172-E325 PolarHBondContact N-OE2 3.14Å; T173-E325 VanDerWaalsContact CB-OE1 3.28Å; T173-E325 WeakPolarHBondContact CB-OE1 3.49Å; T173-E325 PolarHBondContact N-OE1 3.02Å; T173-E325 PolarHBondContact OG1-OE1 3.31Å; G322-E325 WeakPolarHBondContact O-CB 3.23Å; G322-E325 PolarHBondContact O-N 3.4Å; G322-E325 VanDerWaalsContact O-N 3.09Å; L323-E325 PolarHBondContact O-N 2.83Å; L323-E325 VanDerWaalsContact O-N 3.13Å |
| 326 | V | 93 | Very high | 94.7 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -38.9 | -168 | -175.9 | 0 | 0 | 0 | 0 | 112.4 | F301 I305 L306 G322 L323 Y426 | F301-V326 HydrophobicContact CD2-CG2 3.78Å; F301-V326 HydrophobicContact CE1-CG1 4.23Å; F301-V326 HydrophobicContact CE2-CB 4.29Å; F301-V326 HydrophobicContact CE2-CG1 3.83Å; F301-V326 HydrophobicContact CE2-CG2 3.78Å; F301-V326 HydrophobicContact CG-CG2 4.37Å; F301-V326 HydrophobicContact CZ-CG1 3.66Å; F301-V326 HydrophobicContact CZ-CG2 4.36Å; I305-V326 HydrophobicContact CD1-CB 3.76Å; I305-V326 HydrophobicContact CD1-CG1 3.65Å; I305-V326 HydrophobicContact CD1-CG2 4.19Å; I305-V326 HydrophobicContact CG1-CG1 4.21Å; L306-V326 HydrophobicContact CD2-CG1 3.5Å; L306-V326 HydrophobicContact CG-CG1 4.23Å; G322-V326 WeakPolarHBondContact O-CG2 3.26Å; L323-V326 PolarHBondContact O-N 3.12Å; V326-Y426 VanDerWaalsContact O-CE2 3.28Å; V326-Y426 WeakPolarHBondContact O-CE2 3.38Å; V326-Y426 VanDerWaalsContact O-CZ 3.24Å; V326-Y426 PolarHBondContact O-OH 3.47Å |
| 327 | L | 94.4 | Very high | 94.5 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -129.3 | 148 | -173.8 | -68.2 | 171.6 | 0 | 0 | 0 | 109.9 | I305 L306 V309 F331 I332 W421 I422 | I305-L327 HydrophobicContact CB-CD1 4.26Å; I305-L327 HydrophobicContact CD1-CD1 4.02Å; I305-L327 HydrophobicContact CD1-CG 4.38Å; I305-L327 HydrophobicContact CG1-CD1 4.28Å; L306-L327 HydrophobicContact CD2-CD2 3.91Å; V309-L327 HydrophobicContact CG2-CD1 3.46Å; V309-L327 VanDerWaalsContact CG2-CD1 3.46Å; V309-L327 HydrophobicContact CG2-CD2 4.08Å; V309-L327 HydrophobicContact CG2-CG 4.42Å; L327-F331 HydrophobicContact CB-CB 4.37Å; L327-I332 HydrophobicContact CB-CB 4.04Å; L327-I332 HydrophobicContact CB-CG2 3.76Å; L327-I332 HydrophobicContact CD1-CB 4.13Å; L327-I332 HydrophobicContact CD1-CD1 4.13Å; L327-W421 HydrophobicContact CD2-CZ3 4.02Å; L327-I422 HydrophobicContact CD2-CD1 3.71Å |
| 328 | P | 92.8 | Very high | 94.5 | Very high | 33 Ų | 33 | 43.1 Ų | 43.1 | 21% | 0.214 | 24% | 0.24 | C | C | . | . | trans | -65.1 | 152.8 | 172.5 | 31.1 | -36.3 | 0 | 0 | 0 | 110.4 | H330 F331 W421 | P328-H330 VanDerWaalsContact CB-CE1 3.46Å; P328-H330 WeakPolarHBondContact CB-CE1 3.38Å; P328-H330 PolarHBondContact O-N 2.87Å; P328-F331 HydrophobicContact CG-CB 4.2Å; P328-F331 HydrophobicContact CG-CD2 3.6Å; P328-F331 HydrophobicContact CG-CE2 4.12Å; P328-F331 HydrophobicContact CG-CG 3.94Å; P328-F331 PolarHBondContact O-N 3.02Å; P328-W421 HydrophobicContact CG-CH2 4.28Å; P328-W421 HydrophobicContact CG-CZ2 4.1Å | ||
| 329 | E | 89.9 | Confident | 94.4 | Very high | 182 Ų | 182 | 44.4 Ų | 44.4 | 85% | 0.85 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -29 | -172.7 | -64.4 | -177.2 | 172.8 | 0 | 0 | 114.1 | ||
| 330 | H | 88 | Confident | 94.5 | Very high | 108 Ų | 108 | 46.2 Ų | 46.2 | 50% | 0.5 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -10.6 | 179.6 | 59.6 | -91.2 | 0 | 0 | 0 | 114.3 | P328 | P328-H330 VanDerWaalsContact CB-CE1 3.46Å; P328-H330 WeakPolarHBondContact CB-CE1 3.38Å; P328-H330 PolarHBondContact O-N 2.87Å |
| 331 | F | 92.2 | Very high | 94.6 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 2% | 0.022 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -11.8 | 174.7 | -71.1 | -9.7 | 0 | 0 | 0 | 113.6 | V309 L327 P328 H417 M418 W421 | V309-F331 HydrophobicContact CG1-CD2 4Å; V309-F331 HydrophobicContact CG1-CE2 4.48Å; V309-F331 HydrophobicContact CG1-CG 4.39Å; L327-F331 HydrophobicContact CB-CB 4.37Å; P328-F331 HydrophobicContact CG-CB 4.2Å; P328-F331 HydrophobicContact CG-CD2 3.6Å; P328-F331 HydrophobicContact CG-CE2 4.12Å; P328-F331 HydrophobicContact CG-CG 3.94Å; P328-F331 PolarHBondContact O-N 3.02Å; F331-H417 AromaticContact CE1-CE1 3.98Å; F331-H417 AromaticContact CE1-ND1 3.9Å; F331-H417 AromaticContact CZ-CE1 3.68Å; F331-H417 AromaticContact CZ-ND1 3.77Å; F331-M418 HydrophobicContact CD1-CG 3.73Å; F331-M418 HydrophobicContact CD1-SD 4.19Å; F331-M418 HydrophobicContact CD2-CG 4.45Å; F331-M418 HydrophobicContact CE1-CG 3.48Å; F331-M418 VanDerWaalsContact CE1-CG 3.48Å; F331-M418 HydrophobicContact CE1-SD 4.49Å; F331-M418 HydrophobicContact CE2-CG 4.23Å; F331-M418 HydrophobicContact CG-CG 4.25Å; F331-M418 HydrophobicContact CZ-CB 4.4Å; F331-M418 HydrophobicContact CZ-CG 3.76Å; F331-W421 HydrophobicContact CD2-CD2 4.39Å; F331-W421 HydrophobicContact CD2-CE3 4.1Å; F331-W421 HydrophobicContact CE2-CB 3.87Å; F331-W421 AromaticContact CE2-CD2 3.7Å; F331-W421 HydrophobicContact CE2-CD2 3.7Å; F331-W421 AromaticContact CE2-CE3 3.76Å; F331-W421 HydrophobicContact CE2-CE3 3.76Å; F331-W421 AromaticContact CE2-CG 3.73Å; F331-W421 HydrophobicContact CE2-CG 3.73Å; F331-W421 HydrophobicContact CZ-CB 4.22Å; F331-W421 HydrophobicContact CZ-CG 4.29Å |
| 332 | I | 96.1 | Very high | 94.9 | Very high | 9 Ų | 9 | 47.9 Ų | 47.9 | 5% | 0.046 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 131.8 | -174.9 | -171.3 | 162.7 | 0 | 0 | 0 | 111.9 | I305 V315 L327 L334 | I305-I332 HydrophobicContact CD1-CD1 4.31Å; V315-I332 HydrophobicContact CB-CG1 4.32Å; V315-I332 HydrophobicContact CG1-CD1 3.89Å; V315-I332 HydrophobicContact CG1-CG1 3.9Å; V315-I332 WeakPolarHBondContact O-CA 3.36Å; L327-I332 HydrophobicContact CB-CB 4.04Å; L327-I332 HydrophobicContact CB-CG2 3.76Å; L327-I332 HydrophobicContact CD1-CB 4.13Å; L327-I332 HydrophobicContact CD1-CD1 4.13Å; I332-L334 HydrophobicContact CD1-CD2 3.67Å; I332-L334 HydrophobicContact CD1-CG 4.46Å; I332-L334 HydrophobicContact CG1-CD2 3.83Å; I332-L334 HydrophobicContact CG1-CG 4.18Å; I332-L334 HydrophobicContact CG2-CG 4.32Å |
| 333 | R | 97.5 | Very high | 95.1 | Very high | 84 Ų | 84 | 48.7 Ų | 48.7 | 32% | 0.317 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 119 | 167.1 | -72.5 | 173.6 | 169.4 | -133.1 | -7.3 | 109.5 | V315 I316 S317 I345 S349 | V315-R333 PolarHBondContact O-N 3.46Å; I316-R333 WeakPolarHBondContact CA-O 3.48Å; I316-R333 HydrophobicContact CG1-CB 4.37Å; S317-R333 PolarHBondContact N-O 2.88Å; R333-I345 HydrophobicContact CB-CG2 4.01Å; R333-S349 WeakPolarHBondContact CD-OG 3.19Å; R333-S349 PolarHBondContact NE-OG 3.17Å; R333-S349 PolarHBondContact NH1-OG 3.37Å |
| 334 | L | 97.4 | Very high | 95.3 | Very high | 62 Ų | 62 | 52.2 Ų | 52.2 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 130.2 | -176.3 | -67.5 | 173 | 0 | 0 | 0 | 110.8 | S317 A319 P324 I332 | S317-L334 CarbonylContact O-C 3.59Å; S317-L334 VanDerWaalsContact O-CA 3.31Å; S317-L334 WeakPolarHBondContact O-CA 3.27Å; A319-L334 HydrophobicContact CB-CB 4.1Å; P324-L334 HydrophobicContact CB-CD1 3.85Å; P324-L334 HydrophobicContact CG-CD1 4.2Å; I332-L334 HydrophobicContact CD1-CD2 3.67Å; I332-L334 HydrophobicContact CD1-CG 4.46Å; I332-L334 HydrophobicContact CG1-CD2 3.83Å; I332-L334 HydrophobicContact CG1-CG 4.18Å; I332-L334 HydrophobicContact CG2-CG 4.32Å |
| 335 | A | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 145.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | S317 T318 A319 L342 I345 | S317-A335 PolarHBondContact O-N 2.94Å; T318-A335 CarbonylContact C-O 3.6Å; T318-A335 WeakPolarHBondContact CA-O 3.43Å; A319-A335 WeakPolarHBondContact CB-O 3.14Å; A319-A335 PolarHBondContact N-O 3.49Å; A335-L342 HydrophobicContact CB-CB 4.4Å; A335-L342 HydrophobicContact CB-CD1 3.75Å; A335-I345 HydrophobicContact CB-CB 4.37Å; A335-I345 HydrophobicContact CB-CD1 3.36Å; A335-I345 HydrophobicContact CB-CG1 4.41Å |
| 336 | P | 96.6 | Very high | 95.6 | Very high | 59 Ų | 59 | 47.6 Ų | 47.6 | 38% | 0.383 | 26% | 0.262 | S | S | . | . | trans | -56.9 | 153.2 | 166.4 | -29.7 | 41.8 | 0 | 0 | 0 | 111.7 | N338 E341 | P336-N338 PolarHBondContact O-N 3Å; P336-E341 VanDerWaalsContact CG-OE2 3.25Å; P336-E341 WeakPolarHBondContact CG-OE2 3.38Å | ||
| 337 | A | 94.5 | Very high | 95.8 | Very high | 48 Ų | 48 | 48.2 Ų | 48.2 | 40% | 0.397 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -75.4 | 56.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L229 L297 T318 V320 | L229-A337 HydrophobicContact CD1-CB 4.36Å; L297-A337 HydrophobicContact CD2-CB 4.21Å; T318-A337 HydrophobicContact CG2-CB 4.31Å; V320-A337 HydrophobicContact CG1-CB 3.92Å |
| 338 | N | 96.6 | Very high | 96 | Very high | 73 Ų | 73 | 51.6 Ų | 51.6 | 39% | 0.39 | 29% | 0.286 | S | S | . | . | trans | -133.4 | 133.7 | -179.4 | -178.7 | -60.5 | 0 | 0 | 0 | 108.9 | P336 S340 E341 L342 | P336-N338 PolarHBondContact O-N 3Å; N338-S340 VanDerWaalsContact C-N 3.33Å; N338-S340 PolarHBondContact O-N 2.78Å; N338-S340 WeakPolarHBondContact OD1-CB 3.4Å; N338-S340 PolarHBondContact OD1-N 2.86Å; N338-E341 PolarHBondContact O-N 2.88Å; N338-L342 WeakPolarHBondContact O-CB 3.17Å; N338-L342 PolarHBondContact O-N 3.01Å | ||
| 339 | A | 96.7 | Very high | 96.2 | Very high | 28 Ų | 28 | 50 Ų | 50 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.6 | -38.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L229 A232 I233 A343 | L229-A339 HydrophobicContact CD2-CB 4.17Å; A232-A339 HydrophobicContact CB-CB 3.77Å; I233-A339 HydrophobicContact CG2-CB 4.15Å; I233-A339 VanDerWaalsContact CG2-O 3.23Å; I233-A339 WeakPolarHBondContact CG2-O 3.39Å; A339-A343 VanDerWaalsContact O-CB 3.25Å; A339-A343 WeakPolarHBondContact O-CB 3.21Å; A339-A343 PolarHBondContact O-N 2.89Å |
| 340 | S | 97.1 | Very high | 96.6 | Very high | 83 Ų | 83 | 41.4 Ų | 41.4 | 58% | 0.58 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -67.6 | -47.4 | -177.9 | -171.7 | 0 | 0 | 0 | 0 | 111.7 | N338 A343 T344 | N338-S340 VanDerWaalsContact C-N 3.33Å; N338-S340 PolarHBondContact O-N 2.78Å; N338-S340 WeakPolarHBondContact OD1-CB 3.4Å; N338-S340 PolarHBondContact OD1-N 2.86Å; S340-A343 PolarHBondContact O-N 3.37Å; S340-T344 PolarHBondContact O-N 2.83Å; S340-T344 VanDerWaalsContact O-N 3.11Å; S340-T344 PolarHBondContact O-OG1 3.42Å; S340-T344 VanDerWaalsContact O-OG1 3.1Å |
| 341 | E | 97.4 | Very high | 97 | Very high | 85 Ų | 85 | 39.6 Ų | 39.6 | 40% | 0.397 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -71.6 | -38.5 | -178.5 | -64.8 | 179.6 | -117.1 | 0 | 0 | 111.4 | P336 N338 A343 T344 I345 | P336-E341 VanDerWaalsContact CG-OE2 3.25Å; P336-E341 WeakPolarHBondContact CG-OE2 3.38Å; N338-E341 PolarHBondContact O-N 2.88Å; E341-A343 VanDerWaalsContact C-N 3.35Å; E341-T344 PolarHBondContact O-N 2.81Å; E341-I345 PolarHBondContact O-N 2.67Å |
| 342 | L | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.5 | -44.3 | 172.4 | -177.8 | 65.5 | 0 | 0 | 0 | 111.2 | L229 I233 L293 T295 I316 A335 N338 T344 I345 V346 | L229-L342 HydrophobicContact CB-CD2 4.07Å; L229-L342 HydrophobicContact CD1-CD2 4.48Å; I233-L342 HydrophobicContact CD1-CD2 3.89Å; I233-L342 HydrophobicContact CD1-CG 4.07Å; L293-L342 HydrophobicContact CD1-CD1 4.18Å; T295-L342 HydrophobicContact CG2-CD2 3.73Å; I316-L342 HydrophobicContact CG2-CD1 4.33Å; A335-L342 HydrophobicContact CB-CB 4.4Å; A335-L342 HydrophobicContact CB-CD1 3.75Å; N338-L342 WeakPolarHBondContact O-CB 3.17Å; N338-L342 PolarHBondContact O-N 3.01Å; L342-T344 VanDerWaalsContact C-N 3.34Å; L342-T344 PolarHBondContact O-N 3.43Å; L342-I345 PolarHBondContact O-N 2.96Å; L342-V346 HydrophobicContact CD1-CG2 4.33Å; L342-V346 HydrophobicContact CG-CG2 4.44Å; L342-V346 WeakPolarHBondContact O-CB 3.3Å; L342-V346 WeakPolarHBondContact O-CG2 3.27Å; L342-V346 PolarHBondContact O-N 3.26Å |
| 343 | A | 98 | Very high | 96.9 | Very high | 17 Ų | 17 | 42 Ų | 42 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.5 | -42.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | I233 A339 S340 E341 V346 A347 | I233-A343 HydrophobicContact CB-CB 4.2Å; I233-A343 HydrophobicContact CG2-CB 3.82Å; A339-A343 VanDerWaalsContact O-CB 3.25Å; A339-A343 WeakPolarHBondContact O-CB 3.21Å; A339-A343 PolarHBondContact O-N 2.89Å; S340-A343 PolarHBondContact O-N 3.37Å; E341-A343 VanDerWaalsContact C-N 3.35Å; A343-V346 PolarHBondContact O-N 3.15Å; A343-A347 VanDerWaalsContact O-CB 3.31Å; A343-A347 WeakPolarHBondContact O-CB 3.39Å; A343-A347 PolarHBondContact O-N 2.81Å |
| 344 | T | 98.2 | Very high | 96.7 | Very high | 74 Ų | 74 | 43.6 Ų | 43.6 | 45% | 0.454 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.7 | -50.1 | 176.4 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | S340 E341 L342 V346 A347 D348 | S340-T344 PolarHBondContact O-N 2.83Å; S340-T344 VanDerWaalsContact O-N 3.11Å; S340-T344 PolarHBondContact O-OG1 3.42Å; S340-T344 VanDerWaalsContact O-OG1 3.1Å; E341-T344 PolarHBondContact O-N 2.81Å; L342-T344 VanDerWaalsContact C-N 3.34Å; L342-T344 PolarHBondContact O-N 3.43Å; T344-V346 VanDerWaalsContact C-N 3.31Å; T344-V346 PolarHBondContact O-N 2.87Å; T344-A347 WeakPolarHBondContact O-CB 3.39Å; T344-A347 PolarHBondContact O-N 3.33Å; T344-D348 PolarHBondContact O-N 3.47Å |
| 345 | I | 97.7 | Very high | 96.4 | Very high | 38 Ų | 38 | 45.6 Ų | 45.6 | 20% | 0.195 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.4 | -38.6 | -179 | -71 | 166.8 | 0 | 0 | 0 | 111.2 | I316 R333 A335 E341 L342 S349 | I316-I345 HydrophobicContact CG2-CG2 3.94Å; R333-I345 HydrophobicContact CB-CG2 4.01Å; A335-I345 HydrophobicContact CB-CB 4.37Å; A335-I345 HydrophobicContact CB-CD1 3.36Å; A335-I345 HydrophobicContact CB-CG1 4.41Å; E341-I345 PolarHBondContact O-N 2.67Å; L342-I345 PolarHBondContact O-N 2.96Å; I345-S349 WeakPolarHBondContact O-CB 3.47Å; I345-S349 PolarHBondContact O-N 3.29Å; I345-S349 PolarHBondContact O-OG 3.44Å |
| 346 | V | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 174.6 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | I215 I233 L237 L293 I316 L342 A343 T344 S349 I350 | I215-V346 HydrophobicContact CD1-CG1 3.61Å; I233-V346 HydrophobicContact CD1-CG2 4.42Å; L237-V346 HydrophobicContact CD1-CB 3.98Å; L237-V346 HydrophobicContact CD1-CG1 3.49Å; L237-V346 VanDerWaalsContact CD1-CG1 3.49Å; L237-V346 HydrophobicContact CD2-CG1 4.34Å; L293-V346 HydrophobicContact CD1-CG2 3.91Å; I316-V346 HydrophobicContact CD1-CB 4.37Å; I316-V346 HydrophobicContact CD1-CG2 4Å; I316-V346 HydrophobicContact CG2-CG2 4.07Å; L342-V346 HydrophobicContact CD1-CG2 4.33Å; L342-V346 HydrophobicContact CG-CG2 4.44Å; L342-V346 WeakPolarHBondContact O-CB 3.3Å; L342-V346 WeakPolarHBondContact O-CG2 3.27Å; L342-V346 PolarHBondContact O-N 3.26Å; A343-V346 PolarHBondContact O-N 3.15Å; T344-V346 VanDerWaalsContact C-N 3.31Å; T344-V346 PolarHBondContact O-N 2.87Å; V346-S349 PolarHBondContact O-N 2.89Å; V346-I350 HydrophobicContact CG1-CD1 3.91Å; V346-I350 HydrophobicContact CG1-CG1 4.45Å; V346-I350 VanDerWaalsContact O-CG1 3.26Å; V346-I350 WeakPolarHBondContact O-CG1 3.45Å; V346-I350 PolarHBondContact O-N 3.44Å |
| 347 | A | 98.3 | Very high | 95.5 | Very high | 15 Ų | 15 | 48.8 Ų | 48.8 | 12% | 0.124 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L237 F241 A343 T344 S349 I350 I351 | L237-A347 HydrophobicContact CD2-CB 4Å; F241-A347 HydrophobicContact CE2-CB 3.69Å; F241-A347 HydrophobicContact CZ-CB 3.87Å; A343-A347 VanDerWaalsContact O-CB 3.31Å; A343-A347 WeakPolarHBondContact O-CB 3.39Å; A343-A347 PolarHBondContact O-N 2.81Å; T344-A347 WeakPolarHBondContact O-CB 3.39Å; T344-A347 PolarHBondContact O-N 3.33Å; A347-S349 VanDerWaalsContact C-N 3.29Å; A347-S349 PolarHBondContact O-N 3.31Å; A347-I350 PolarHBondContact O-N 3.04Å; A347-I351 WeakPolarHBondContact O-CG1 3.32Å; A347-I351 PolarHBondContact O-N 3.4Å |
| 348 | D | 97.8 | Very high | 95.1 | Very high | 81 Ų | 81 | 51.1 Ų | 51.1 | 43% | 0.433 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 177.5 | -70.4 | -16.3 | 0 | 0 | 0 | 111.7 | T344 I351 Q352 | T344-D348 PolarHBondContact O-N 3.47Å; D348-I351 PolarHBondContact O-N 3.29Å; D348-Q352 PolarHBondContact O-N 2.65Å |
| 349 | S | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.7 | -38.3 | 175 | -77.4 | 0 | 0 | 0 | 0 | 113.3 | I316 R333 I345 V346 A347 I351 Q352 V353 | I316-S349 WeakPolarHBondContact CD1-OG 3.39Å; R333-S349 WeakPolarHBondContact CD-OG 3.19Å; R333-S349 PolarHBondContact NE-OG 3.17Å; R333-S349 PolarHBondContact NH1-OG 3.37Å; I345-S349 WeakPolarHBondContact O-CB 3.47Å; I345-S349 PolarHBondContact O-N 3.29Å; I345-S349 PolarHBondContact O-OG 3.44Å; V346-S349 PolarHBondContact O-N 2.89Å; A347-S349 VanDerWaalsContact C-N 3.29Å; A347-S349 PolarHBondContact O-N 3.31Å; S349-I351 VanDerWaalsContact C-N 3.32Å; S349-Q352 PolarHBondContact O-N 2.7Å; S349-V353 WeakPolarHBondContact O-CG2 3.36Å; S349-V353 PolarHBondContact O-N 2.89Å |
| 350 | I | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 174.5 | -67.6 | 161.1 | 0 | 0 | 0 | 109.9 | I213 I215 L237 F241 L244 I291 V346 A347 Q352 V353 R354 | I213-I350 HydrophobicContact CD1-CG2 3.78Å; I213-I350 HydrophobicContact CG2-CG2 4.39Å; I215-I350 HydrophobicContact CD1-CD1 4.21Å; I215-I350 HydrophobicContact CD1-CG1 4.41Å; L237-I350 HydrophobicContact CD2-CD1 4.46Å; F241-I350 HydrophobicContact CB-CG2 4.37Å; F241-I350 HydrophobicContact CD1-CG2 3.63Å; F241-I350 HydrophobicContact CD2-CD1 3.77Å; F241-I350 HydrophobicContact CD2-CG2 4.27Å; F241-I350 HydrophobicContact CE1-CB 4.39Å; F241-I350 HydrophobicContact CE1-CG2 3.89Å; F241-I350 HydrophobicContact CE2-CB 4.49Å; F241-I350 HydrophobicContact CE2-CD1 3.99Å; F241-I350 HydrophobicContact CG-CD1 4.31Å; F241-I350 HydrophobicContact CG-CG2 3.83Å; F241-I350 HydrophobicContact CZ-CB 4.38Å; F241-I350 HydrophobicContact CZ-CG2 4.33Å; L244-I350 HydrophobicContact CD1-CD1 3.73Å; L244-I350 HydrophobicContact CD1-CG1 4.13Å; L244-I350 HydrophobicContact CD2-CD1 3.8Å; L244-I350 HydrophobicContact CG-CD1 4.37Å; I291-I350 HydrophobicContact CD1-CG1 4.14Å; V346-I350 HydrophobicContact CG1-CD1 3.91Å; V346-I350 HydrophobicContact CG1-CG1 4.45Å; V346-I350 VanDerWaalsContact O-CG1 3.26Å; V346-I350 WeakPolarHBondContact O-CG1 3.45Å; V346-I350 PolarHBondContact O-N 3.44Å; A347-I350 PolarHBondContact O-N 3.04Å; I350-Q352 VanDerWaalsContact C-N 3.35Å; I350-Q352 PolarHBondContact O-N 2.85Å; I350-V353 PolarHBondContact O-N 3.36Å; I350-R354 WeakPolarHBondContact O-CB 3.3Å; I350-R354 PolarHBondContact O-N 2.95Å |
| 351 | I | 97.2 | Very high | 91.8 | Very high | 71 Ų | 71 | 58.3 Ų | 58.3 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 176.7 | -65.8 | 166.3 | 0 | 0 | 0 | 110.8 | F241 A347 D348 S349 R354 Q355 | F241-I351 HydrophobicContact CE1-CD1 4.45Å; F241-I351 HydrophobicContact CE1-CG1 3.87Å; F241-I351 HydrophobicContact CZ-CD1 4.31Å; F241-I351 HydrophobicContact CZ-CG1 4.08Å; A347-I351 WeakPolarHBondContact O-CG1 3.32Å; A347-I351 PolarHBondContact O-N 3.4Å; D348-I351 PolarHBondContact O-N 3.29Å; S349-I351 VanDerWaalsContact C-N 3.32Å; I351-R354 WeakPolarHBondContact O-CB 3.3Å; I351-R354 PolarHBondContact O-N 3.34Å; I351-Q355 WeakPolarHBondContact O-CG 3.46Å; I351-Q355 PolarHBondContact O-N 2.93Å |
| 352 | Q | 94.2 | Very high | 89.8 | Confident | 56 Ų | 56 | 56.9 Ų | 56.9 | 26% | 0.262 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 176.9 | -174.3 | -175 | 4.4 | 0 | 0 | 112.1 | M314 D348 S349 I350 R354 Q355 Q356 | M314-Q352 HydrophobicContact CE-CG 4.42Å; D348-Q352 PolarHBondContact O-N 2.65Å; S349-Q352 PolarHBondContact O-N 2.7Å; I350-Q352 VanDerWaalsContact C-N 3.35Å; I350-Q352 PolarHBondContact O-N 2.85Å; Q352-R354 VanDerWaalsContact C-N 3.27Å; Q352-R354 PolarHBondContact O-N 2.88Å; Q352-Q355 PolarHBondContact O-N 2.8Å; Q352-Q356 WeakPolarHBondContact O-CG 3.44Å; Q352-Q356 PolarHBondContact O-N 2.98Å |
| 353 | V | 93.2 | Very high | 87.4 | Confident | 8 Ų | 8 | 60.8 Ų | 60.8 | 5% | 0.048 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 177.9 | 169 | 0 | 0 | 0 | 0 | 110.9 | I213 D290 I291 M314 S349 I350 Q356 R357 | I213-V353 HydrophobicContact CD1-CG1 4.32Å; I213-V353 HydrophobicContact CG1-CG1 4.24Å; I213-V353 HydrophobicContact CG2-CG1 4.16Å; D290-V353 HydrophobicContact CB-CG1 3.96Å; I291-V353 HydrophobicContact CD1-CG2 4.08Å; I291-V353 HydrophobicContact CG1-CG2 4.06Å; M314-V353 HydrophobicContact CE-CG2 4.16Å; S349-V353 WeakPolarHBondContact O-CG2 3.36Å; S349-V353 PolarHBondContact O-N 2.89Å; I350-V353 PolarHBondContact O-N 3.36Å; V353-Q356 PolarHBondContact O-N 2.93Å; V353-R357 WeakPolarHBondContact O-CG 3.26Å; V353-R357 PolarHBondContact O-N 3.18Å; V353-R357 VanDerWaalsContact O-N 3.08Å |
| 354 | R | 92.8 | Very high | 85.1 | Confident | 117 Ų | 117 | 64.1 Ų | 64.1 | 44% | 0.442 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 176 | -177.7 | 173.5 | 172.5 | 164.5 | -9 | 112.1 | I213 E243 I350 I351 Q352 Q356 R357 E358 | I213-R354 HydrophobicContact CD1-CB 3.95Å; E243-R354 IonicContact OE1-CZ 3.4Å; E243-R354 IonicContact OE1-NH1 3.67Å; E243-R354 PolarHBondContact OE1-NH1 2.73Å; I350-R354 WeakPolarHBondContact O-CB 3.3Å; I350-R354 PolarHBondContact O-N 2.95Å; I351-R354 WeakPolarHBondContact O-CB 3.3Å; I351-R354 PolarHBondContact O-N 3.34Å; Q352-R354 VanDerWaalsContact C-N 3.27Å; Q352-R354 PolarHBondContact O-N 2.88Å; R354-Q356 PolarHBondContact O-N 2.69Å; R354-R357 PolarHBondContact O-N 3.26Å; R354-E358 IonicContact NE-OE1 3.03Å; R354-E358 PolarHBondContact NE-OE1 3.41Å; R354-E358 WeakPolarHBondContact O-CG 3.27Å; R354-E358 PolarHBondContact O-N 3.38Å |
| 355 | Q | 91.1 | Very high | 82.8 | Confident | 105 Ų | 105 | 68.5 Ų | 68.5 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 177.3 | -72.3 | 171.2 | -15.8 | 0 | 0 | 111.4 | I351 Q352 R357 E358 D359 | I351-Q355 WeakPolarHBondContact O-CG 3.46Å; I351-Q355 PolarHBondContact O-N 2.93Å; Q352-Q355 PolarHBondContact O-N 2.8Å; Q355-R357 VanDerWaalsContact C-N 3.26Å; Q355-R357 PolarHBondContact O-N 2.68Å; Q355-E358 PolarHBondContact O-N 3.01Å; Q355-D359 PolarHBondContact O-N 3.23Å |
| 356 | Q | 87.8 | Confident | 80.6 | Confident | 78 Ų | 78 | 71.3 Ų | 71.3 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.7 | -36.3 | 177.3 | -72.4 | 175 | -14.5 | 0 | 0 | 113.1 | Q352 V353 R354 S360 | Q352-Q356 WeakPolarHBondContact O-CG 3.44Å; Q352-Q356 PolarHBondContact O-N 2.98Å; V353-Q356 PolarHBondContact O-N 2.93Å; R354-Q356 PolarHBondContact O-N 2.69Å; Q356-S360 WeakPolarHBondContact O-CB 3.23Å; Q356-S360 PolarHBondContact O-N 2.93Å; Q356-S360 VanDerWaalsContact O-N 3.11Å; Q356-S360 PolarHBondContact O-OG 3.32Å |
| 357 | R | 86.4 | Confident | 78.3 | Confident | 47 Ų | 47 | 74.6 Ų | 74.6 | 18% | 0.177 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -72.3 | -34.2 | 175.5 | -74.7 | -178.8 | 173.2 | -156.5 | 1.4 | 112.5 | D209 P210 Y212 D290 V353 R354 Q355 K361 | D209-R357 PolarHBondContact O-NH1 3.3Å; D209-R357 PolarHBondContact O-NH2 3.07Å; D209-R357 VanDerWaalsContact O-NH2 3.14Å; P210-R357 PolarHBondContact O-NH1 2.94Å; Y212-R357 PolarHBondContact O-NH1 3.49Å; Y212-R357 PolarHBondContact O-NH2 2.89Å; Y212-R357 VanDerWaalsContact O-NH2 3.14Å; D290-R357 IonicContact OD1-CZ 3.08Å; D290-R357 IonicContact OD1-NE 2.95Å; D290-R357 IonicContact OD1-NH2 2.77Å; D290-R357 PolarHBondContact OD1-NH2 2.79Å; D290-R357 IonicContact OD2-CZ 3.38Å; D290-R357 IonicContact OD2-NH2 3.82Å; D290-R357 PolarHBondContact OD2-NH2 3.36Å; V353-R357 WeakPolarHBondContact O-CG 3.26Å; V353-R357 PolarHBondContact O-N 3.18Å; V353-R357 VanDerWaalsContact O-N 3.08Å; R354-R357 PolarHBondContact O-N 3.26Å; Q355-R357 VanDerWaalsContact C-N 3.26Å; Q355-R357 PolarHBondContact O-N 2.68Å; R357-K361 WeakPolarHBondContact O-CG 3.28Å; R357-K361 PolarHBondContact O-N 3.05Å |
| 358 | E | 85.2 | Confident | 75.8 | Confident | 97 Ų | 97 | 80.9 Ų | 80.9 | 45% | 0.453 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.5 | -45 | 175.6 | -72.1 | 172.6 | -177.1 | 0 | 0 | 110.7 | R354 Q355 S360 K361 L362 | R354-E358 IonicContact NE-OE1 3.03Å; R354-E358 PolarHBondContact NE-OE1 3.41Å; R354-E358 WeakPolarHBondContact O-CG 3.27Å; R354-E358 PolarHBondContact O-N 3.38Å; Q355-E358 PolarHBondContact O-N 3.01Å; E358-S360 VanDerWaalsContact C-N 3.31Å; E358-S360 PolarHBondContact O-N 2.8Å; E358-K361 WeakPolarHBondContact O-CB 3.45Å; E358-K361 PolarHBondContact O-N 3.44Å; E358-K361 VanDerWaalsContact O-N 3.07Å; E358-L362 PolarHBondContact O-N 3.16Å |
| 359 | D | 80.4 | Confident | 73.7 | Confident | 98 Ų | 98 | 79.4 Ų | 79.4 | 52% | 0.524 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 176.7 | -65.8 | -23.3 | 0 | 0 | 0 | 112 | Q355 K361 L362 | Q355-D359 PolarHBondContact O-N 3.23Å; D359-K361 PolarHBondContact O-N 3.25Å; D359-L362 PolarHBondContact O-N 3.11Å |
| 360 | S | 73.4 | Confident | 71.4 | Confident | 87 Ų | 87 | 83.5 Ų | 83.5 | 61% | 0.608 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -17.6 | 176.8 | -60.4 | 0 | 0 | 0 | 0 | 113.8 | Q356 E358 | Q356-S360 WeakPolarHBondContact O-CB 3.23Å; Q356-S360 PolarHBondContact O-N 2.93Å; Q356-S360 VanDerWaalsContact O-N 3.11Å; Q356-S360 PolarHBondContact O-OG 3.32Å; E358-S360 VanDerWaalsContact C-N 3.31Å; E358-S360 PolarHBondContact O-N 2.8Å |
| 361 | K | 67.4 | Low | 69.1 | Low | 151 Ų | 151 | 87.1 Ų | 87.1 | 66% | 0.657 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -21.4 | 178.5 | -76.4 | 174.8 | -177.1 | 178 | 0 | 113.1 | R357 E358 D359 T363 | R357-K361 WeakPolarHBondContact O-CG 3.28Å; R357-K361 PolarHBondContact O-N 3.05Å; E358-K361 WeakPolarHBondContact O-CB 3.45Å; E358-K361 PolarHBondContact O-N 3.44Å; E358-K361 VanDerWaalsContact O-N 3.07Å; D359-K361 PolarHBondContact O-N 3.25Å; K361-T363 PolarHBondContact O-N 2.79Å; K361-T363 VanDerWaalsContact O-N 3.17Å |
| 362 | L | 56.9 | Low | 66.7 | Low | 55 Ų | 55 | 89.3 Ų | 89.3 | 29% | 0.288 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -60.4 | 119.4 | 173.9 | -72.7 | 162.7 | 0 | 0 | 0 | 107.9 | E358 D359 E366 M370 | E358-L362 PolarHBondContact O-N 3.16Å; D359-L362 PolarHBondContact O-N 3.11Å; L362-E366 HydrophobicContact CB-CB 4.4Å; L362-E366 HydrophobicContact CD2-CB 4.07Å; L362-M370 HydrophobicContact CD1-CE 4.33Å |
| 363 | T | 47.4 | Very low | 64.1 | Low | 82 Ų | 82 | 92.4 Ų | 92.4 | 50% | 0.503 | 47% | 0.474 | S | S | . | . | trans | -59.9 | 150.4 | 179.2 | 45.7 | 0 | 0 | 0 | 0 | 109.6 | K361 H365 E366 Q367 | K361-T363 PolarHBondContact O-N 2.79Å; K361-T363 VanDerWaalsContact O-N 3.17Å; T363-H365 PolarHBondContact O-N 3.17Å; T363-E366 PolarHBondContact N-OE2 3.48Å; T363-E366 WeakPolarHBondContact O-CA 3.42Å; T363-E366 WeakPolarHBondContact O-CB 3.48Å; T363-E366 PolarHBondContact O-N 3.19Å; T363-E366 VanDerWaalsContact OG1-CD 3.23Å; T363-E366 WeakPolarHBondContact OG1-CG 3.44Å; T363-E366 PolarHBondContact OG1-OE2 3.11Å; T363-Q367 PolarHBondContact O-N 3.17Å | ||
| 364 | A | 49.9 | Very low | 61.9 | Low | 86 Ų | 86 | 96 Ų | 96 | 71% | 0.711 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -52.1 | -20.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | K368 | A364-K368 PolarHBondContact O-N 3.05Å |
| 365 | H | 48.8 | Very low | 59.3 | Low | 166 Ų | 166 | 95 Ų | 95 | 77% | 0.769 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -77.7 | -35.3 | 173.5 | -130.2 | -69.1 | 0 | 0 | 0 | 113.5 | T363 A369 | T363-H365 PolarHBondContact O-N 3.17Å; H365-A369 PolarHBondContact O-N 3.36Å |
| 366 | E | 52.2 | Low | 56.7 | Low | 98 Ų | 98 | 96.9 Ų | 96.9 | 46% | 0.458 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -79.3 | -37.5 | 176.3 | -69 | 165.5 | 145.1 | 0 | 0 | 111.6 | L362 T363 K368 A369 M370 | L362-E366 HydrophobicContact CB-CB 4.4Å; L362-E366 HydrophobicContact CD2-CB 4.07Å; T363-E366 PolarHBondContact N-OE2 3.48Å; T363-E366 WeakPolarHBondContact O-CA 3.42Å; T363-E366 WeakPolarHBondContact O-CB 3.48Å; T363-E366 PolarHBondContact O-N 3.19Å; T363-E366 VanDerWaalsContact OG1-CD 3.23Å; T363-E366 WeakPolarHBondContact OG1-CG 3.44Å; T363-E366 PolarHBondContact OG1-OE2 3.11Å; E366-K368 PolarHBondContact O-N 3.19Å; E366-A369 CarbonylContact O-C 3.21Å; E366-A369 WeakPolarHBondContact O-CA 3.37Å; E366-A369 WeakPolarHBondContact O-CB 3.43Å; E366-A369 PolarHBondContact O-N 3.05Å; E366-A369 VanDerWaalsContact O-N 3.08Å; E366-M370 PolarHBondContact O-N 3.4Å |
| 367 | Q | 49 | Very low | 53.9 | Low | 68 Ų | 68 | 101.8 Ų | 101.8 | 32% | 0.318 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 174 | -166.7 | 64.5 | 35.7 | 0 | 0 | 111.1 | T363 A369 M370 D371 | T363-Q367 PolarHBondContact O-N 3.17Å; Q367-A369 VanDerWaalsContact C-N 3.27Å; Q367-A369 PolarHBondContact O-N 2.93Å; Q367-M370 PolarHBondContact O-N 3.33Å; Q367-M370 VanDerWaalsContact O-N 3.15Å; Q367-D371 PolarHBondContact NE2-OD1 3.28Å; Q367-D371 VanDerWaalsContact NE2-OD1 3.09Å; Q367-D371 WeakPolarHBondContact O-CB 3.48Å; Q367-D371 PolarHBondContact O-N 3.04Å |
| 368 | K | 46.8 | Very low | 51.2 | Low | 148 Ų | 148 | 107 Ų | 107 | 64% | 0.643 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.8 | -35.6 | 171.3 | -95.9 | -177.9 | 175.3 | 177 | 0 | 113 | A364 E366 N372 | A364-K368 PolarHBondContact O-N 3.05Å; E366-K368 PolarHBondContact O-N 3.19Å; K368-N372 VanDerWaalsContact O-CB 3.27Å; K368-N372 WeakPolarHBondContact O-CB 3.47Å; K368-N372 PolarHBondContact O-N 2.82Å; K368-N372 VanDerWaalsContact O-N 3.17Å; K368-N372 PolarHBondContact O-ND2 3.32Å |
| 369 | A | 54.1 | Low | 48.5 | Very low | 49 Ų | 49 | 109 Ų | 109 | 41% | 0.405 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.9 | -39.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | H365 E366 Q367 L373 | H365-A369 PolarHBondContact O-N 3.36Å; E366-A369 CarbonylContact O-C 3.21Å; E366-A369 WeakPolarHBondContact O-CA 3.37Å; E366-A369 WeakPolarHBondContact O-CB 3.43Å; E366-A369 PolarHBondContact O-N 3.05Å; E366-A369 VanDerWaalsContact O-N 3.08Å; Q367-A369 VanDerWaalsContact C-N 3.27Å; Q367-A369 PolarHBondContact O-N 2.93Å; A369-L373 WeakPolarHBondContact O-CB 3.24Å; A369-L373 WeakPolarHBondContact O-CD1 3.5Å; A369-L373 WeakPolarHBondContact O-CG 3.42Å; A369-L373 PolarHBondContact O-N 3.24Å; A369-L373 VanDerWaalsContact O-N 3.14Å |
| 370 | M | 47.5 | Very low | 45.9 | Very low | 87 Ų | 87 | 112.1 Ų | 112.1 | 43% | 0.429 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.2 | -46.9 | 176.6 | -162.3 | 79.8 | 75.9 | 0 | 0 | 112 | L362 E366 Q367 N372 L373 T374 | L362-M370 HydrophobicContact CD1-CE 4.33Å; E366-M370 PolarHBondContact O-N 3.4Å; Q367-M370 PolarHBondContact O-N 3.33Å; Q367-M370 VanDerWaalsContact O-N 3.15Å; M370-N372 VanDerWaalsContact C-N 3.29Å; M370-N372 PolarHBondContact O-N 3.31Å; M370-L373 CarbonylContact O-C 3.56Å; M370-L373 WeakPolarHBondContact O-CA 3.48Å; M370-L373 WeakPolarHBondContact O-CB 3.29Å; M370-L373 PolarHBondContact O-N 2.95Å; M370-T374 PolarHBondContact O-N 2.88Å; M370-T374 PolarHBondContact O-OG1 3.33Å |
| 371 | D | 48.6 | Very low | 43.9 | Very low | 75 Ų | 75 | 113.9 Ų | 113.9 | 40% | 0.401 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.7 | -34.9 | 178.8 | -64.3 | -15.5 | 0 | 0 | 0 | 111.7 | Q367 L373 T374 S375 | Q367-D371 PolarHBondContact NE2-OD1 3.28Å; Q367-D371 VanDerWaalsContact NE2-OD1 3.09Å; Q367-D371 WeakPolarHBondContact O-CB 3.48Å; Q367-D371 PolarHBondContact O-N 3.04Å; D371-L373 VanDerWaalsContact C-N 3.32Å; D371-T374 WeakPolarHBondContact CA-OG1 3.4Å; D371-T374 PolarHBondContact O-OG1 3.22Å; D371-S375 PolarHBondContact O-N 2.87Å; D371-S375 PolarHBondContact O-OG 3.5Å |
| 372 | N | 47.4 | Very low | 41.9 | Very low | 117 Ų | 117 | 113.9 Ų | 113.9 | 63% | 0.626 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -70.4 | -26.9 | 172.2 | -73.7 | -21.7 | 0 | 0 | 0 | 112.7 | K368 M370 | K368-N372 VanDerWaalsContact O-CB 3.27Å; K368-N372 WeakPolarHBondContact O-CB 3.47Å; K368-N372 PolarHBondContact O-N 2.82Å; K368-N372 VanDerWaalsContact O-N 3.17Å; K368-N372 PolarHBondContact O-ND2 3.32Å; M370-N372 VanDerWaalsContact C-N 3.29Å; M370-N372 PolarHBondContact O-N 3.31Å |
| 373 | L | 40.6 | Very low | 40.5 | Very low | 122 Ų | 122 | 116.1 Ų | 116.1 | 64% | 0.639 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -83.8 | -36.5 | 177.8 | -86.6 | 158.7 | 0 | 0 | 0 | 112.5 | A369 M370 D371 N376 | A369-L373 WeakPolarHBondContact O-CB 3.24Å; A369-L373 WeakPolarHBondContact O-CD1 3.5Å; A369-L373 WeakPolarHBondContact O-CG 3.42Å; A369-L373 PolarHBondContact O-N 3.24Å; A369-L373 VanDerWaalsContact O-N 3.14Å; M370-L373 CarbonylContact O-C 3.56Å; M370-L373 WeakPolarHBondContact O-CA 3.48Å; M370-L373 WeakPolarHBondContact O-CB 3.29Å; M370-L373 PolarHBondContact O-N 2.95Å; D371-L373 VanDerWaalsContact C-N 3.32Å; L373-N376 PolarHBondContact O-N 3.29Å |
| 374 | T | 45.4 | Very low | 39.8 | Very low | 84 Ų | 84 | 118 Ų | 118 | 52% | 0.515 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -76.2 | -27.1 | 178.1 | 42.3 | 0 | 0 | 0 | 0 | 113 | M370 D371 N376 K377 | M370-T374 PolarHBondContact O-N 2.88Å; M370-T374 PolarHBondContact O-OG1 3.33Å; D371-T374 WeakPolarHBondContact CA-OG1 3.4Å; D371-T374 PolarHBondContact O-OG1 3.22Å; T374-N376 PolarHBondContact O-N 3.1Å; T374-K377 PolarHBondContact O-N 2.86Å; T374-K377 VanDerWaalsContact O-N 3.11Å |
| 375 | S | 40.2 | Very low | 39 | Very low | 95 Ų | 95 | 118.7 Ų | 118.7 | 66% | 0.664 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -15.2 | 171.6 | -64.2 | 0 | 0 | 0 | 0 | 113.8 | D371 | D371-S375 PolarHBondContact O-N 2.87Å; D371-S375 PolarHBondContact O-OG 3.5Å |
| 376 | N | 34.5 | Very low | 38 | Very low | 145 Ų | 145 | 115.8 Ų | 115.8 | 78% | 0.775 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | 12.8 | 178.7 | -82.8 | -22.1 | 0 | 0 | 0 | 114.8 | L373 T374 | L373-N376 PolarHBondContact O-N 3.29Å; T374-N376 PolarHBondContact O-N 3.1Å |
| 377 | K | 29.7 | Very low | 36.9 | Very low | 180 Ų | 180 | 116.5 Ų | 116.5 | 78% | 0.783 | 66% | 0.658 | S | S | * | * | trans | -130.8 | 60.7 | 172.2 | -74.2 | -174 | 177.7 | 178.4 | 0 | 111.5 | T374 | T374-K377 PolarHBondContact O-N 2.86Å; T374-K377 VanDerWaalsContact O-N 3.11Å | ||
| 378 | L | 30.7 | Very low | 35.8 | Very low | 157 Ų | 157 | 120.9 Ų | 120.9 | 82% | 0.822 | 68% | 0.682 | S | S | * | * | trans | -74.4 | 131.7 | 141.1 | -115.9 | 79.7 | 0 | 0 | 0 | 106.1 | ||||
| 379 | D | 28.1 | Very low | 34.9 | Very low | 138 Ų | 138 | 117.6 Ų | 117.6 | 74% | 0.738 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 89.2 | 130 | -179.2 | -51.2 | -29 | 0 | 0 | 0 | 116 | ||
| 380 | I | 26.3 | Very low | 33.6 | Very low | 165 Ų | 165 | 126 Ų | 126 | 85% | 0.846 | 70% | 0.699 | S | S | * | * | trans | 96.8 | 85.9 | 174.7 | -46.2 | 159.4 | 0 | 0 | 0 | 114.9 | ||||
| 381 | C | 29.9 | Very low | 32.7 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | -170.9 | 89.3 | 122.4 | -92.8 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 382 | T | 25.1 | Very low | 31.6 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 92% | 0.92 | 72% | 0.724 | S | S | * | * | trans | -86.4 | 100.2 | 162.9 | 39 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 383 | S | 29.1 | Very low | 30.7 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | -141.9 | 136.9 | 160.4 | 62.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 384 | P | 32.4 | Very low | 29.9 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 149 | -161.4 | 27.8 | -33.4 | 0 | 0 | 0 | 113.3 | ||
| 385 | P | 31.9 | Very low | 29.2 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 65% | 0.649 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 143.8 | -170.1 | -9.7 | 26.4 | 0 | 0 | 0 | 113.1 | ||
| 386 | N | 28 | Very low | 28.4 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 57% | 0.567 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 127.9 | 170.2 | -174.8 | -9.4 | 0 | 0 | 0 | 110.7 | L388 C389 | N386-L388 PolarHBondContact O-N 3.04Å; N386-C389 PolarHBondContact O-N 3.31Å; N386-C389 VanDerWaalsContact O-N 3.13Å |
| 387 | P | 30.2 | Very low | 28.3 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -3.2 | -172.9 | 22.6 | -33.1 | 0 | 0 | 0 | 116.4 | ||
| 388 | L | 26.1 | Very low | 28.1 | Very low | 159 Ų | 159 | 129.8 Ų | 129.8 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -9.6 | 173.1 | -70.8 | 169.1 | 0 | 0 | 0 | 113.9 | N386 R390 | N386-L388 PolarHBondContact O-N 3.04Å; L388-R390 PolarHBondContact O-N 3.41Å |
| 389 | C | 28 | Very low | 27.8 | Very low | 79 Ų | 79 | 126.3 Ų | 126.3 | 53% | 0.534 | 73% | 0.726 | S | S | . | * | trans | -96 | 65.3 | 173 | -67.1 | 0 | 0 | 0 | 0 | 110.8 | N386 F391 | N386-C389 PolarHBondContact O-N 3.31Å; N386-C389 VanDerWaalsContact O-N 3.13Å; C389-F391 VanDerWaalsContact C-N 3.3Å | ||
| 390 | R | 25.7 | Very low | 27.7 | Very low | 226 Ų | 226 | 127.7 Ų | 127.7 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 0.5 | 174.8 | -101.5 | -174.4 | -179.4 | 179.4 | 1.1 | 114.8 | L388 | L388-R390 PolarHBondContact O-N 3.41Š|
| 391 | F | 28.3 | Very low | 27.6 | Very low | 198 Ų | 198 | 129.3 Ų | 129.3 | 87% | 0.868 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 17.6 | 174 | -69.3 | -73.2 | 0 | 0 | 0 | 113.8 | C389 L393 | C389-F391 VanDerWaalsContact C-N 3.3Å; F391-L393 PolarHBondContact O-N 2.92Å; F391-L393 VanDerWaalsContact O-N 3.11Å |
| 392 | S | 26.1 | Very low | 27.9 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 50% | 0.497 | 72% | 0.715 | S | S | . | * | trans | -74.6 | 102.8 | 159.8 | 64.5 | 0 | 0 | 0 | 0 | 107.9 | I394 | S392-I394 VanDerWaalsContact C-N 3.25Å; S392-I394 PolarHBondContact O-N 2.9Å | ||
| 393 | L | 28.5 | Very low | 28.3 | Very low | 162 Ų | 162 | 124.8 Ų | 124.8 | 85% | 0.848 | 71% | 0.709 | S | S | * | * | trans | -46 | 92.9 | 158.2 | -74.6 | 150.6 | 0 | 0 | 0 | 108.8 | F391 A395 | F391-L393 PolarHBondContact O-N 2.92Å; F391-L393 VanDerWaalsContact O-N 3.11Å; L393-A395 PolarHBondContact O-N 3.43Å; L393-A395 VanDerWaalsContact O-N 3.15Å | ||
| 394 | I | 24.5 | Very low | 28.7 | Very low | 140 Ų | 140 | 123.3 Ų | 123.3 | 72% | 0.718 | 70% | 0.696 | S | S | * | * | trans | -79.9 | 75.8 | 151.9 | -57.2 | 174.1 | 0 | 0 | 0 | 103.7 | S392 | S392-I394 VanDerWaalsContact C-N 3.25Å; S392-I394 PolarHBondContact O-N 2.9Å | ||
| 395 | A | 29.9 | Very low | 29.3 | Very low | 65 Ų | 65 | 125.1 Ų | 125.1 | 54% | 0.537 | 69% | 0.694 | S | S | . | * | trans | -87.7 | 121 | 158.8 | 0 | 0 | 0 | 0 | 0 | 105.3 | L393 S397 | L393-A395 PolarHBondContact O-N 3.43Å; L393-A395 VanDerWaalsContact O-N 3.15Å; A395-S397 PolarHBondContact O-N 3.35Å | ||
| 396 | D | 24 | Very low | 29.9 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 64% | 0.642 | 69% | 0.689 | S | S | * | * | trans | -43.4 | 136.8 | 179 | -73 | -44.3 | 0 | 0 | 0 | 111.5 | S398 T399 | D396-S398 PolarHBondContact O-N 3.33Å; D396-T399 PolarHBondContact O-N 3.49Å | ||
| 397 | S | 31.6 | Very low | 31.2 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 92% | 0.923 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 21.7 | -178.4 | 58.7 | 0 | 0 | 0 | 0 | 114.8 | A395 | A395-S397 PolarHBondContact O-N 3.35Š|
| 398 | S | 26 | Very low | 32.7 | Very low | 97 Ų | 97 | 124.9 Ų | 124.9 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.3 | -0.1 | -179.9 | 60.3 | 0 | 0 | 0 | 0 | 114.5 | D396 | D396-S398 PolarHBondContact O-N 3.33Š|
| 399 | T | 24.6 | Very low | 35 | Very low | 83 Ų | 83 | 124.3 Ų | 124.3 | 51% | 0.509 | 68% | 0.675 | S | S | . | * | trans | -111 | 89.2 | 167.2 | 53.1 | 0 | 0 | 0 | 0 | 109.7 | D396 F401 | D396-T399 PolarHBondContact O-N 3.49Å; T399-F401 VanDerWaalsContact C-N 3.25Å; T399-F401 PolarHBondContact O-N 2.86Å | ||
| 400 | H | 24.5 | Very low | 37.6 | Very low | 168 Ų | 168 | 122.9 Ų | 122.9 | 78% | 0.778 | 67% | 0.666 | S | S | * | * | trans | -57.8 | 88.7 | 163.3 | -77.5 | -84.5 | 0 | 0 | 0 | 109.2 | ||||
| 401 | F | 26 | Very low | 40.5 | Very low | 198 Ų | 198 | 115.1 Ų | 115.1 | 87% | 0.868 | 64% | 0.642 | S | S | * | * | trans | -105.8 | 30.5 | 163 | -98 | -78 | 0 | 0 | 0 | 110.6 | T399 | T399-F401 VanDerWaalsContact C-N 3.25Å; T399-F401 PolarHBondContact O-N 2.86Å | ||
| 402 | D | 34.7 | Very low | 43.4 | Very low | 103 Ų | 103 | 108.9 Ų | 108.9 | 55% | 0.551 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -87 | 126.9 | 154 | -154.1 | -6.3 | 0 | 0 | 0 | 105.9 | T404 | D402-T404 HydrophobicContact CB-CG2 3.61Å; D402-T404 PolarHBondContact O-N 3.36Å; D402-T404 PolarHBondContact O-OG1 3.48Å; D402-T404 WeakPolarHBondContact OD2-CG2 3.31Å |
| 403 | G | 34.3 | Very low | 46.4 | Very low | 77 Ų | 77 | 109 Ų | 109 | 79% | 0.794 | 61% | 0.614 | S | S | * | * | trans | -71.1 | 43.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | E405 | G403-E405 PolarHBondContact O-N 2.98Š| ||
| 404 | T | 37.2 | Very low | 49.3 | Very low | 71 Ų | 71 | 104.6 Ų | 104.6 | 44% | 0.436 | 59% | 0.589 | S | S | . | * | trans | -70 | 88.7 | -173.9 | 48.5 | 0 | 0 | 0 | 0 | 110.8 | D402 | D402-T404 HydrophobicContact CB-CG2 3.61Å; D402-T404 PolarHBondContact O-N 3.36Å; D402-T404 PolarHBondContact O-OG1 3.48Å; D402-T404 WeakPolarHBondContact OD2-CG2 3.31Å | ||
| 405 | E | 44.5 | Very low | 52.6 | Low | 160 Ų | 160 | 97.9 Ų | 97.9 | 75% | 0.748 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -101.3 | -8.2 | 145.1 | -84.6 | -174.3 | 166 | 0 | 0 | 112.5 | G403 | G403-E405 PolarHBondContact O-N 2.98Š|
| 406 | F | 45.2 | Very low | 55.7 | Low | 127 Ų | 127 | 99.4 Ų | 99.4 | 56% | 0.557 | 55% | 0.547 | S | S | * | . | trans | -119.9 | 93.1 | 178.2 | -90.7 | -89.3 | 0 | 0 | 0 | 112.8 | C408 | F406-C408 VanDerWaalsContact C-N 3.33Å; F406-C408 PolarHBondContact O-N 3.21Å | ||
| 407 | N | 54.2 | Low | 59 | Low | 142 Ų | 142 | 96.1 Ų | 96.1 | 76% | 0.759 | 53% | 0.528 | S | S | * | . | trans | -63.2 | 96.5 | 156.1 | -100.7 | -13.1 | 0 | 0 | 0 | 108.1 | N409 | N407-N409 PolarHBondContact O-N 3.01Š| ||
| 408 | C | 63.6 | Low | 62.1 | Low | 44 Ų | 44 | 90 Ų | 90 | 30% | 0.297 | 49% | 0.485 | S | S | . | . | trans | -73.7 | 109.1 | 173.2 | -65.5 | 0 | 0 | 0 | 0 | 108.3 | F406 S410 D413 H414 | F406-C408 VanDerWaalsContact C-N 3.33Å; F406-C408 PolarHBondContact O-N 3.21Å; C408-S410 PolarHBondContact O-N 2.92Å; C408-D413 HydrophobicContact CB-CB 4.19Å; C408-H414 HydrophobicContact CB-CB 3.99Å | ||
| 409 | N | 72.9 | Confident | 65.4 | Low | 147 Ų | 147 | 85.6 Ų | 85.6 | 79% | 0.786 | 45% | 0.453 | S | S | * | . | trans | -73.2 | -13.5 | -176.5 | -63.2 | -39.1 | 0 | 0 | 0 | 113.2 | N407 | N407-N409 PolarHBondContact O-N 3.01Š| ||
| 410 | S | 82.9 | Confident | 68.8 | Low | 49 Ų | 49 | 87.2 Ų | 87.2 | 34% | 0.343 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -149.9 | 161.3 | -178.8 | 70 | 0 | 0 | 0 | 0 | 112.1 | C408 T412 D413 H414 | C408-S410 PolarHBondContact O-N 2.92Å; S410-T412 PolarHBondContact O-N 2.87Å; S410-D413 PolarHBondContact N-OD2 3.12Å; S410-D413 PolarHBondContact O-N 3.49Å; S410-D413 VanDerWaalsContact O-N 3.13Å; S410-D413 PolarHBondContact OG-N 3.19Å; S410-D413 PolarHBondContact OG-OD2 3.18Å; S410-H414 PolarHBondContact O-N 3.48Å |
| 411 | L | 86.8 | Confident | 72.2 | Confident | 64 Ų | 64 | 82.7 Ų | 82.7 | 34% | 0.335 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -54.7 | -38.8 | 170.5 | 177.9 | 62.1 | 0 | 0 | 0 | 111.7 | H414 C415 | L411-H414 PolarHBondContact O-N 3.44Å; L411-C415 PolarHBondContact O-N 3.41Å; L411-C415 PolarHBondContact O-SG 2.79Å |
| 412 | T | 88.8 | Confident | 75.5 | Confident | 66 Ų | 66 | 73.3 Ų | 73.3 | 41% | 0.405 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 177.4 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | S410 H414 C415 W416 | S410-T412 PolarHBondContact O-N 2.87Å; T412-H414 VanDerWaalsContact C-N 3.3Å; T412-H414 PolarHBondContact O-N 3.32Å; T412-C415 PolarHBondContact O-N 3.06Å; T412-W416 VanDerWaalsContact O-CD1 3.3Å; T412-W416 PolarHBondContact O-N 3.25Å |
| 413 | D | 89.6 | Confident | 78.3 | Confident | 73 Ų | 73 | 75 Ų | 75 | 39% | 0.39 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 177 | -62.5 | -39.7 | 0 | 0 | 0 | 111.2 | C408 S410 W416 H417 | C408-D413 HydrophobicContact CB-CB 4.19Å; S410-D413 PolarHBondContact N-OD2 3.12Å; S410-D413 PolarHBondContact O-N 3.49Å; S410-D413 VanDerWaalsContact O-N 3.13Å; S410-D413 PolarHBondContact OG-N 3.19Å; S410-D413 PolarHBondContact OG-OD2 3.18Å; D413-W416 PolarHBondContact O-N 2.82Å; D413-H417 WeakPolarHBondContact O-CB 3.34Å; D413-H417 PolarHBondContact O-N 2.87Å |
| 414 | H | 89.9 | Confident | 81.1 | Confident | 70 Ų | 70 | 72.7 Ų | 72.7 | 32% | 0.324 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 176.5 | -174 | 65.3 | 0 | 0 | 0 | 112.4 | C408 S410 L411 T412 W416 H417 M418 | C408-H414 HydrophobicContact CB-CB 3.99Å; S410-H414 PolarHBondContact O-N 3.48Å; L411-H414 PolarHBondContact O-N 3.44Å; T412-H414 VanDerWaalsContact C-N 3.3Å; T412-H414 PolarHBondContact O-N 3.32Å; H414-W416 PolarHBondContact O-N 3.48Å; H414-H417 WeakPolarHBondContact O-CB 3.27Å; H414-H417 PolarHBondContact O-N 3.42Å; H414-M418 VanDerWaalsContact CD2-CE 3.49Å; H414-M418 WeakPolarHBondContact CD2-CE 3.23Å; H414-M418 PolarHBondContact O-N 2.95Å |
| 415 | C | 93.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 176.1 | -66.1 | 0 | 0 | 0 | 0 | 112.1 | P203 P205 G312 L411 T412 H419 | P203-C415 HydrophobicContact CB-CB 3.93Å; P205-C415 HydrophobicContact CG-CB 3.94Å; G312-C415 PolarHBondContact O-SG 3.24Å; G312-C415 VanDerWaalsContact O-SG 3.39Å; L411-C415 PolarHBondContact O-N 3.41Å; L411-C415 PolarHBondContact O-SG 2.79Å; T412-C415 PolarHBondContact O-N 3.06Å; C415-H419 PolarHBondContact O-N 2.9Å; C415-H419 VanDerWaalsContact O-N 3.07Å |
| 416 | W | 94.8 | Very high | 86.1 | Confident | 96 Ų | 96 | 65.9 Ų | 65.9 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -72 | -30.8 | 177 | -81.4 | 104.4 | 0 | 0 | 0 | 113.3 | L202 P203 T412 D413 H414 H419 K420 | L202-W416 HydrophobicContact CD2-CH2 4.18Å; L202-W416 HydrophobicContact CD2-CZ3 4.31Å; P203-W416 HydrophobicContact CG-CD2 3.7Å; P203-W416 HydrophobicContact CG-CE3 3.97Å; P203-W416 HydrophobicContact CG-CG 4.11Å; P203-W416 HydrophobicContact CG-CH2 4.39Å; P203-W416 HydrophobicContact CG-CZ2 4.13Å; P203-W416 HydrophobicContact CG-CZ3 4.3Å; T412-W416 VanDerWaalsContact O-CD1 3.3Å; T412-W416 PolarHBondContact O-N 3.25Å; D413-W416 PolarHBondContact O-N 2.82Å; H414-W416 PolarHBondContact O-N 3.48Å; W416-H419 HydrophobicContact CE3-CB 4.39Å; W416-H419 AromaticContact CE3-CD2 3.99Å; W416-H419 AromaticContact CZ3-CD2 3.9Å; W416-H419 PolarHBondContact O-N 3.1Å; W416-K420 WeakPolarHBondContact O-CB 3.41Å; W416-K420 VanDerWaalsContact O-CG 3.29Å; W416-K420 WeakPolarHBondContact O-CG 3.33Å; W416-K420 PolarHBondContact O-N 3.37Å |
| 417 | H | 93.7 | Very high | 88.5 | Confident | 51 Ų | 51 | 60.6 Ų | 60.6 | 24% | 0.236 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.4 | -51.2 | 171.9 | 171.3 | -106.6 | 0 | 0 | 0 | 111 | F331 D413 H414 H419 K420 W421 | F331-H417 AromaticContact CE1-CE1 3.98Å; F331-H417 AromaticContact CE1-ND1 3.9Å; F331-H417 AromaticContact CZ-CE1 3.68Å; F331-H417 AromaticContact CZ-ND1 3.77Å; D413-H417 WeakPolarHBondContact O-CB 3.34Å; D413-H417 PolarHBondContact O-N 2.87Å; H414-H417 WeakPolarHBondContact O-CB 3.27Å; H414-H417 PolarHBondContact O-N 3.42Å; H417-H419 VanDerWaalsContact C-N 3.31Å; H417-H419 PolarHBondContact O-N 2.85Å; H417-K420 PolarHBondContact O-N 3.37Å; H417-W421 PolarHBondContact O-N 3.17Å |
| 418 | M | 95.2 | Very high | 90.4 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.02 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.4 | -47.3 | 173.7 | -79.8 | -170.4 | -75.4 | 0 | 0 | 112 | V309 G312 F331 H414 K420 W421 I422 | V309-M418 HydrophobicContact CG1-CB 3.73Å; V309-M418 HydrophobicContact CG1-CG 3.99Å; V309-M418 HydrophobicContact CG1-SD 4.03Å; V309-M418 WeakPolarHBondContact O-CB 3.36Å; G312-M418 VanDerWaalsContact C-CE 3.49Å; G312-M418 WeakPolarHBondContact O-CE 3.3Å; F331-M418 HydrophobicContact CD1-CG 3.73Å; F331-M418 HydrophobicContact CD1-SD 4.19Å; F331-M418 HydrophobicContact CD2-CG 4.45Å; F331-M418 HydrophobicContact CE1-CG 3.48Å; F331-M418 VanDerWaalsContact CE1-CG 3.48Å; F331-M418 HydrophobicContact CE1-SD 4.49Å; F331-M418 HydrophobicContact CE2-CG 4.23Å; F331-M418 HydrophobicContact CG-CG 4.25Å; F331-M418 HydrophobicContact CZ-CB 4.4Å; F331-M418 HydrophobicContact CZ-CG 3.76Å; H414-M418 VanDerWaalsContact CD2-CE 3.49Å; H414-M418 WeakPolarHBondContact CD2-CE 3.23Å; H414-M418 PolarHBondContact O-N 2.95Å; M418-K420 PolarHBondContact O-N 2.81Å; M418-W421 PolarHBondContact O-N 2.81Å; M418-I422 WeakPolarHBondContact O-CG1 3.47Å; M418-I422 PolarHBondContact O-N 3.3Å |
| 419 | H | 96.5 | Very high | 91.9 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.019 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.7 | -48.6 | 177.9 | 179.5 | 85.3 | 0 | 0 | 0 | 113.1 | A198 F201 P203 S310 C415 W416 H417 W421 I422 R423 | A198-H419 PolarHBondContact O-CE1 3.24Å; F201-H419 PolarHBondContact O-ND1 3.49Å; P203-H419 HydrophobicContact CG-CB 4.04Å; S310-H419 WeakPolarHBondContact O-CB 3.19Å; S310-H419 PolarHBondContact O-ND1 3.43Å; S310-H419 PolarHBondContact OG-ND1 2.75Å; S310-H419 VanDerWaalsContact OG-ND1 3.11Å; C415-H419 PolarHBondContact O-N 2.9Å; C415-H419 VanDerWaalsContact O-N 3.07Å; W416-H419 HydrophobicContact CE3-CB 4.39Å; W416-H419 AromaticContact CE3-CD2 3.99Å; W416-H419 AromaticContact CZ3-CD2 3.9Å; W416-H419 PolarHBondContact O-N 3.1Å; H417-H419 VanDerWaalsContact C-N 3.31Å; H417-H419 PolarHBondContact O-N 2.85Å; H419-W421 VanDerWaalsContact C-N 3.33Å; H419-W421 PolarHBondContact O-N 2.93Å; H419-I422 PolarHBondContact O-N 3.17Å; H419-R423 WeakPolarHBondContact O-CB 3.38Å; H419-R423 PolarHBondContact O-N 3.03Å |
| 420 | K | 95.8 | Very high | 92.9 | Very high | 117 Ų | 117 | 49 Ų | 49 | 51% | 0.509 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.1 | -41.4 | -180 | -75.3 | 174.6 | -178.3 | 179.6 | 0 | 111.5 | W416 H417 M418 R423 S424 | W416-K420 WeakPolarHBondContact O-CB 3.41Å; W416-K420 VanDerWaalsContact O-CG 3.29Å; W416-K420 WeakPolarHBondContact O-CG 3.33Å; W416-K420 PolarHBondContact O-N 3.37Å; H417-K420 PolarHBondContact O-N 3.37Å; M418-K420 PolarHBondContact O-N 2.81Å; K420-R423 PolarHBondContact O-N 3.18Å; K420-S424 PolarHBondContact O-N 3.17Å; K420-S424 PolarHBondContact O-OG 3.01Å |
| 421 | W | 95.2 | Very high | 93.6 | Very high | 74 Ų | 74 | 47 Ų | 47 | 28% | 0.28 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64 | -44.5 | 177.6 | -171.9 | 96.8 | 0 | 0 | 0 | 112.1 | L327 P328 F331 H417 M418 H419 R423 S424 M425 Y426 | L327-W421 HydrophobicContact CD2-CZ3 4.02Å; P328-W421 HydrophobicContact CG-CH2 4.28Å; P328-W421 HydrophobicContact CG-CZ2 4.1Å; F331-W421 HydrophobicContact CD2-CD2 4.39Å; F331-W421 HydrophobicContact CD2-CE3 4.1Å; F331-W421 HydrophobicContact CE2-CB 3.87Å; F331-W421 AromaticContact CE2-CD2 3.7Å; F331-W421 HydrophobicContact CE2-CD2 3.7Å; F331-W421 AromaticContact CE2-CE3 3.76Å; F331-W421 HydrophobicContact CE2-CE3 3.76Å; F331-W421 AromaticContact CE2-CG 3.73Å; F331-W421 HydrophobicContact CE2-CG 3.73Å; F331-W421 HydrophobicContact CZ-CB 4.22Å; F331-W421 HydrophobicContact CZ-CG 4.29Å; H417-W421 PolarHBondContact O-N 3.17Å; M418-W421 PolarHBondContact O-N 2.81Å; H419-W421 VanDerWaalsContact C-N 3.33Å; H419-W421 PolarHBondContact O-N 2.93Å; W421-R423 VanDerWaalsContact C-N 3.32Å; W421-R423 PolarHBondContact O-N 3.09Å; W421-S424 PolarHBondContact O-N 2.8Å; W421-S424 PolarHBondContact O-OG 3.41Å; W421-M425 HydrophobicContact CE3-CB 4.4Å; W421-M425 HydrophobicContact CH2-CB 4.17Å; W421-M425 HydrophobicContact CH2-CG 3.93Å; W421-M425 HydrophobicContact CZ2-CB 4.32Å; W421-M425 HydrophobicContact CZ2-CG 4.12Å; W421-M425 HydrophobicContact CZ3-CB 4.23Å; W421-M425 HydrophobicContact CZ3-CG 4.43Å; W421-M425 WeakPolarHBondContact O-CB 3.25Å; W421-M425 PolarHBondContact O-N 3.01Å; W421-Y426 AromaticContact CH2-CE2 3.87Å; W421-Y426 HydrophobicContact CH2-CE2 3.87Å; W421-Y426 HydrophobicContact CZ3-CD2 4.03Å; W421-Y426 AromaticContact CZ3-CE2 3.66Å; W421-Y426 HydrophobicContact CZ3-CE2 3.66Å |
| 422 | I | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 175.3 | -67.1 | -70.6 | 0 | 0 | 0 | 110.9 | V196 L306 V309 L327 M418 H419 S424 M425 Y426 | V196-I422 HydrophobicContact CG1-CG2 3.47Å; V196-I422 VanDerWaalsContact CG1-CG2 3.47Å; L306-I422 HydrophobicContact CB-CD1 4.48Å; L306-I422 HydrophobicContact CD2-CD1 3.82Å; V309-I422 HydrophobicContact CB-CD1 3.94Å; V309-I422 HydrophobicContact CB-CG1 3.94Å; V309-I422 HydrophobicContact CG1-CD1 3.75Å; V309-I422 HydrophobicContact CG1-CG1 3.5Å; L327-I422 HydrophobicContact CD2-CD1 3.71Å; M418-I422 WeakPolarHBondContact O-CG1 3.47Å; M418-I422 PolarHBondContact O-N 3.3Å; H419-I422 PolarHBondContact O-N 3.17Å; I422-S424 VanDerWaalsContact C-N 3.32Å; I422-S424 PolarHBondContact O-N 3.13Å; I422-M425 PolarHBondContact O-N 3.44Å; I422-Y426 HydrophobicContact CD1-CD2 4.13Å; I422-Y426 WeakPolarHBondContact O-CA 3.36Å; I422-Y426 PolarHBondContact O-N 3.4Å |
| 423 | R | 94.1 | Very high | 94.4 | Very high | 139 Ų | 139 | 43.3 Ų | 43.3 | 53% | 0.525 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.5 | -38 | 179.3 | 179.7 | 177.3 | 174.1 | 154.6 | -1.4 | 112.6 | A198 H419 K420 W421 C427 | A198-R423 HydrophobicContact CB-CB 3.78Å; A198-R423 HydrophobicContact CB-CG 4.14Å; H419-R423 WeakPolarHBondContact O-CB 3.38Å; H419-R423 PolarHBondContact O-N 3.03Å; K420-R423 PolarHBondContact O-N 3.18Å; W421-R423 VanDerWaalsContact C-N 3.32Å; W421-R423 PolarHBondContact O-N 3.09Å; R423-C427 WeakPolarHBondContact O-CB 3.39Å |
| 424 | S | 92.5 | Very high | 94.7 | Very high | 29 Ų | 29 | 43.8 Ų | 43.8 | 20% | 0.203 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -77.4 | -38.2 | 179.6 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | K420 W421 I422 | K420-S424 PolarHBondContact O-N 3.17Å; K420-S424 PolarHBondContact O-OG 3.01Å; W421-S424 PolarHBondContact O-N 2.8Å; W421-S424 PolarHBondContact O-OG 3.41Å; I422-S424 VanDerWaalsContact C-N 3.32Å; I422-S424 PolarHBondContact O-N 3.13Å |
| 425 | M | 92.6 | Very high | 95.1 | Very high | 75 Ų | 75 | 40.5 Ų | 40.5 | 37% | 0.369 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -87.3 | -36.6 | -173.5 | -167.5 | 57.6 | 174.5 | 0 | 0 | 113.9 | W421 I422 | W421-M425 HydrophobicContact CE3-CB 4.4Å; W421-M425 HydrophobicContact CH2-CB 4.17Å; W421-M425 HydrophobicContact CH2-CG 3.93Å; W421-M425 HydrophobicContact CZ2-CB 4.32Å; W421-M425 HydrophobicContact CZ2-CG 4.12Å; W421-M425 HydrophobicContact CZ3-CB 4.23Å; W421-M425 HydrophobicContact CZ3-CG 4.43Å; W421-M425 WeakPolarHBondContact O-CB 3.25Å; W421-M425 PolarHBondContact O-N 3.01Å; I422-M425 PolarHBondContact O-N 3.44Å |
| 426 | Y | 94.8 | Very high | 95.2 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 5% | 0.051 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -121.1 | 56.7 | -169.3 | -68.1 | -62.8 | 0 | 0 | 0 | 113.2 | P193 N194 A195 V196 F301 L306 V326 W421 I422 | P193-Y426 HydrophobicContact CB-CD1 4.21Å; P193-Y426 HydrophobicContact CB-CE1 3.68Å; P193-Y426 HydrophobicContact CG-CD1 4.23Å; P193-Y426 HydrophobicContact CG-CE1 3.78Å; N194-Y426 VanDerWaalsContact O-CD1 3.25Å; N194-Y426 WeakPolarHBondContact O-CD1 3.4Å; A195-Y426 WeakPolarHBondContact CA-O 3.33Å; A195-Y426 WeakPolarHBondContact CB-O 3.46Å; V196-Y426 PolarHBondContact N-O 3.41Å; F301-Y426 HydrophobicContact CE2-CE1 4.12Å; F301-Y426 HydrophobicContact CZ-CD1 4.09Å; F301-Y426 AromaticContact CZ-CE1 3.74Å; F301-Y426 HydrophobicContact CZ-CE1 3.74Å; L306-Y426 HydrophobicContact CD1-CD1 4.11Å; L306-Y426 HydrophobicContact CD1-CD2 4.05Å; L306-Y426 HydrophobicContact CD1-CG 3.74Å; L306-Y426 HydrophobicContact CD2-CD2 3.58Å; L306-Y426 HydrophobicContact CD2-CE2 3.69Å; L306-Y426 HydrophobicContact CD2-CG 4.16Å; L306-Y426 HydrophobicContact CG-CD2 4.47Å; V326-Y426 VanDerWaalsContact O-CE2 3.28Å; V326-Y426 WeakPolarHBondContact O-CE2 3.38Å; V326-Y426 VanDerWaalsContact O-CZ 3.24Å; V326-Y426 PolarHBondContact O-OH 3.47Å; W421-Y426 AromaticContact CH2-CE2 3.87Å; W421-Y426 HydrophobicContact CH2-CE2 3.87Å; W421-Y426 HydrophobicContact CZ3-CD2 4.03Å; W421-Y426 AromaticContact CZ3-CE2 3.66Å; W421-Y426 HydrophobicContact CZ3-CE2 3.66Å; I422-Y426 HydrophobicContact CD1-CD2 4.13Å; I422-Y426 WeakPolarHBondContact O-CA 3.36Å; I422-Y426 PolarHBondContact O-N 3.4Å |
| 427 | C | 94.4 | Very high | 95.3 | Very high | 15 Ų | 15 | 43.9 Ų | 43.9 | 10% | 0.101 | 20% | 0.195 | C | C | . | . | trans | -110.6 | 144.5 | 178.1 | 72.8 | 0 | 0 | 0 | 0 | 113.7 | A195 R423 P429 L430 V431 | A195-C427 VanDerWaalsContact CB-C 3.41Å; R423-C427 WeakPolarHBondContact O-CB 3.39Å; C427-P429 VanDerWaalsContact C-CD 3.48Å; C427-L430 PolarHBondContact O-N 2.97Å; C427-L430 VanDerWaalsContact SG-CB 3.54Å; C427-V431 PolarHBondContact O-N 3.01Å | ||
| 428 | W | 95.6 | Very high | 95.4 | Very high | 28 Ų | 28 | 41.5 Ų | 41.5 | 11% | 0.106 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.2 | -34.9 | -179.1 | -68.5 | 107.4 | 0 | 0 | 0 | 115.3 | H34 A37 L38 C41 A195 L430 V431 A432 | H34-W428 VanDerWaalsContact CA-CH2 3.5Å; H34-W428 HydrophobicContact CB-CH2 3.81Å; H34-W428 HydrophobicContact CB-CZ3 4.44Å; H34-W428 AromaticContact CG-CH2 3.73Å; H34-W428 AromaticContact CG-CZ3 3.95Å; H34-W428 AromaticContact ND1-CH2 3.52Å; H34-W428 AromaticContact ND1-CZ3 3.66Å; A37-W428 HydrophobicContact CB-CD2 3.41Å; A37-W428 VanDerWaalsContact CB-CD2 3.41Å; A37-W428 HydrophobicContact CB-CE3 3.94Å; A37-W428 HydrophobicContact CB-CG 3.72Å; A37-W428 HydrophobicContact CB-CH2 4.38Å; A37-W428 HydrophobicContact CB-CZ2 3.88Å; A37-W428 HydrophobicContact CB-CZ3 4.39Å; L38-W428 HydrophobicContact CB-CE3 4.36Å; L38-W428 HydrophobicContact CB-CZ3 4.31Å; C41-W428 WeakPolarHBondContact SG-CB 3.45Å; A195-W428 HydrophobicContact CB-CD2 3.68Å; A195-W428 HydrophobicContact CB-CE3 4.07Å; A195-W428 HydrophobicContact CB-CG 3.92Å; A195-W428 HydrophobicContact CB-CZ2 4.2Å; A195-W428 HydrophobicContact CB-CZ3 4.48Å; A195-W428 WeakPolarHBondContact O-CZ2 3.42Å; W428-L430 VanDerWaalsContact C-N 3.28Å; W428-L430 PolarHBondContact O-N 2.76Å; W428-V431 HydrophobicContact CE3-CB 4.22Å; W428-V431 HydrophobicContact CE3-CG1 4.19Å; W428-V431 HydrophobicContact CE3-CG2 4.45Å; W428-V431 HydrophobicContact CZ3-CG1 4.2Å; W428-V431 PolarHBondContact O-N 3.39Å; W428-A432 WeakPolarHBondContact O-CB 3.39Å; W428-A432 PolarHBondContact O-N 2.85Å |
| 429 | P | 94.8 | Very high | 95.6 | Very high | 26 Ų | 26 | 41.3 Ų | 41.3 | 17% | 0.169 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.9 | -39.7 | 173.1 | -27.2 | 36.6 | 0 | 0 | 0 | 113.1 | C427 A432 K433 F504 | C427-P429 VanDerWaalsContact C-CD 3.48Å; P429-A432 PolarHBondContact O-N 2.73Å; P429-K433 PolarHBondContact O-N 3.3Å; P429-F504 HydrophobicContact CB-CD2 4.32Å; P429-F504 HydrophobicContact CB-CE2 4.16Å; P429-F504 HydrophobicContact CB-CZ 4.26Å; P429-F504 HydrophobicContact CG-CE1 3.99Å; P429-F504 HydrophobicContact CG-CE2 4.08Å; P429-F504 HydrophobicContact CG-CZ 3.71Å |
| 430 | L | 94.3 | Very high | 95.5 | Very high | 37 Ų | 37 | 44 Ų | 44 | 19% | 0.194 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.1 | -41.7 | 177.3 | -176.9 | 59.6 | 0 | 0 | 0 | 111.6 | C427 W428 A432 K433 R434 | C427-L430 PolarHBondContact O-N 2.97Å; C427-L430 VanDerWaalsContact SG-CB 3.54Å; W428-L430 VanDerWaalsContact C-N 3.28Å; W428-L430 PolarHBondContact O-N 2.76Å; L430-A432 VanDerWaalsContact C-N 3.31Å; L430-A432 PolarHBondContact O-N 3.23Å; L430-K433 PolarHBondContact O-N 2.79Å; L430-R434 WeakPolarHBondContact O-CG 3.43Å; L430-R434 PolarHBondContact O-N 3.09Å |
| 431 | V | 96.7 | Very high | 95.5 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 4% | 0.036 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.9 | -45 | 173.3 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | L38 I192 P193 A195 C427 W428 R434 T435 | L38-V431 HydrophobicContact CD1-CG1 4.18Å; I192-V431 HydrophobicContact CG2-CB 4.41Å; I192-V431 HydrophobicContact CG2-CG1 3.88Å; I192-V431 HydrophobicContact CG2-CG2 4.46Å; P193-V431 WeakPolarHBondContact O-CG2 3.14Å; A195-V431 HydrophobicContact CB-CG2 3.67Å; C427-V431 PolarHBondContact O-N 3.01Å; W428-V431 HydrophobicContact CE3-CB 4.22Å; W428-V431 HydrophobicContact CE3-CG1 4.19Å; W428-V431 HydrophobicContact CE3-CG2 4.45Å; W428-V431 HydrophobicContact CZ3-CG1 4.2Å; W428-V431 PolarHBondContact O-N 3.39Å; V431-R434 PolarHBondContact O-N 3.33Å; V431-T435 WeakPolarHBondContact O-CB 3.39Å; V431-T435 PolarHBondContact O-N 3.12Å; V431-T435 PolarHBondContact O-OG1 2.95Å |
| 432 | A | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.2 | -45.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L38 C41 L42 W428 P429 L430 R434 T435 E436 | L38-A432 HydrophobicContact CD1-CB 4.03Å; C41-A432 HydrophobicContact CB-CB 3.55Å; L42-A432 HydrophobicContact CD2-CB 4.21Å; L42-A432 HydrophobicContact CG-CB 4.33Å; W428-A432 WeakPolarHBondContact O-CB 3.39Å; W428-A432 PolarHBondContact O-N 2.85Å; P429-A432 PolarHBondContact O-N 2.73Å; L430-A432 VanDerWaalsContact C-N 3.31Å; L430-A432 PolarHBondContact O-N 3.23Å; A432-R434 VanDerWaalsContact C-N 3.3Å; A432-R434 PolarHBondContact O-N 2.7Å; A432-T435 PolarHBondContact O-N 3.32Å; A432-T435 VanDerWaalsContact O-N 3.17Å; A432-E436 WeakPolarHBondContact O-CG 3.12Å; A432-E436 PolarHBondContact O-N 3.06Å |
| 433 | K | 95.1 | Very high | 95.4 | Very high | 53 Ų | 53 | 39.2 Ų | 39.2 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.4 | -40.6 | 176.2 | -173.3 | 177.7 | -176.6 | 175.4 | 0 | 111.7 | P429 L430 D506 E510 | P429-K433 PolarHBondContact O-N 3.3Å; L430-K433 PolarHBondContact O-N 2.79Å; K433-D506 IonicContact NZ-OD1 2.64Å; K433-D506 PolarHBondContact NZ-OD1 3.14Å; K433-D506 IonicContact NZ-OD2 3.54Å; K433-D506 PolarHBondContact NZ-OD2 3.31Å; K433-E510 IonicContact NZ-OE1 2.82Å |
| 434 | R | 96.9 | Very high | 95.3 | Very high | 82 Ų | 82 | 37 Ų | 37 | 31% | 0.309 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -69.8 | -41.8 | 175.6 | -69.6 | 174 | 178.3 | 172 | -0 | 111.6 | I192 L430 V431 A432 E436 K437 V438 | I192-R434 HydrophobicContact CD1-CB 3.81Å; I192-R434 HydrophobicContact CG1-CB 4.13Å; I192-R434 HydrophobicContact CG2-CB 4.1Å; L430-R434 WeakPolarHBondContact O-CG 3.43Å; L430-R434 PolarHBondContact O-N 3.09Å; V431-R434 PolarHBondContact O-N 3.33Å; A432-R434 VanDerWaalsContact C-N 3.3Å; A432-R434 PolarHBondContact O-N 2.7Å; R434-E436 VanDerWaalsContact C-N 3.34Å; R434-E436 PolarHBondContact O-N 3.46Å; R434-K437 WeakPolarHBondContact O-CB 3.47Å; R434-K437 PolarHBondContact O-N 2.96Å; R434-K437 VanDerWaalsContact O-N 3.17Å; R434-V438 PolarHBondContact O-N 2.88Å |
| 435 | T | 97.9 | Very high | 95 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.3 | -38.4 | 178.4 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | L38 I168 V431 A432 K437 V438 Y439 | L38-T435 HydrophobicContact CD2-CG2 4.38Å; I168-T435 HydrophobicContact CD1-CG2 3.94Å; V431-T435 WeakPolarHBondContact O-CB 3.39Å; V431-T435 PolarHBondContact O-N 3.12Å; V431-T435 PolarHBondContact O-OG1 2.95Å; A432-T435 PolarHBondContact O-N 3.32Å; A432-T435 VanDerWaalsContact O-N 3.17Å; T435-K437 VanDerWaalsContact C-N 3.26Å; T435-K437 PolarHBondContact O-N 3.46Å; T435-V438 WeakPolarHBondContact O-CA 3.25Å; T435-V438 WeakPolarHBondContact O-CB 3.24Å; T435-V438 PolarHBondContact O-N 3.07Å; T435-Y439 HydrophobicContact CG2-CD2 4.28Å; T435-Y439 HydrophobicContact CG2-CE1 3.91Å; T435-Y439 HydrophobicContact CG2-CE2 3.62Å; T435-Y439 VanDerWaalsContact CG2-CZ 3.42Å; T435-Y439 PolarHBondContact O-N 3.49Å |
| 436 | E | 96 | Very high | 94.6 | Very high | 21 Ų | 21 | 41.5 Ų | 41.5 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.6 | -33.7 | 174.4 | -78.8 | 175.3 | -171.9 | 0 | 0 | 113.8 | L42 R45 H47 A432 R434 V438 Y439 S440 | L42-E436 HydrophobicContact CD2-CG 3.87Å; R45-E436 WeakPolarHBondContact CB-OE1 3.23Å; R45-E436 WeakPolarHBondContact CD-OE1 3.44Å; R45-E436 IonicContact CZ-OE1 3.51Å; R45-E436 IonicContact CZ-OE2 3.59Å; R45-E436 VanDerWaalsContact CZ-OE2 3.25Å; R45-E436 IonicContact NE-OE1 2.73Å; R45-E436 PolarHBondContact NE-OE1 2.95Å; R45-E436 IonicContact NE-OE2 2.72Å; R45-E436 PolarHBondContact NE-OE2 3.14Å; R45-E436 IonicContact NH2-OE1 3.23Å; R45-E436 IonicContact NH2-OE2 3.65Å; R45-E436 PolarHBondContact NH2-OE2 3.34Å; H47-E436 IonicContact CD2-OE1 3.57Å; H47-E436 PolarHBondContact CD2-OE1 3.23Å; H47-E436 VanDerWaalsContact CD2-OE1 3.23Å; H47-E436 VanDerWaalsContact NE2-CD 3.33Å; H47-E436 IonicContact NE2-OE1 2.7Å; H47-E436 PolarHBondContact NE2-OE1 3.39Å; A432-E436 WeakPolarHBondContact O-CG 3.12Å; A432-E436 PolarHBondContact O-N 3.06Å; R434-E436 VanDerWaalsContact C-N 3.34Å; R434-E436 PolarHBondContact O-N 3.46Å; E436-V438 VanDerWaalsContact C-N 3.32Å; E436-Y439 PolarHBondContact O-N 2.89Å; E436-S440 WeakPolarHBondContact O-CB 3.23Å; E436-S440 PolarHBondContact O-N 3.4Å; E436-S440 PolarHBondContact O-OG 2.74Å |
| 437 | K | 96.2 | Very high | 94 | Very high | 145 Ų | 145 | 44.4 Ų | 44.4 | 63% | 0.63 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -65.9 | -38.8 | 173.6 | -64.5 | -178.8 | 178.5 | -177.4 | 0 | 110.9 | R434 T435 S440 A441 | R434-K437 WeakPolarHBondContact O-CB 3.47Å; R434-K437 PolarHBondContact O-N 2.96Å; R434-K437 VanDerWaalsContact O-N 3.17Å; T435-K437 VanDerWaalsContact C-N 3.26Å; T435-K437 PolarHBondContact O-N 3.46Å; K437-S440 PolarHBondContact O-N 3.11Å; K437-A441 WeakPolarHBondContact O-CB 3.26Å; K437-A441 PolarHBondContact O-N 3.22Å |
| 438 | V | 97.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.7 | -43.4 | 175.4 | -176.4 | 0 | 0 | 0 | 0 | 110.7 | V136 Q166 I168 F190 I192 R434 T435 E436 S440 A441 A442 | V136-V438 HydrophobicContact CG1-CG1 4.15Å; V136-V438 HydrophobicContact CG2-CG1 4.39Å; Q166-V438 HydrophobicContact CB-CG1 3.65Å; Q166-V438 HydrophobicContact CG-CG1 4.24Å; I168-V438 HydrophobicContact CD1-CB 4.25Å; I168-V438 HydrophobicContact CD1-CG1 4.13Å; I168-V438 HydrophobicContact CD1-CG2 4.26Å; I168-V438 HydrophobicContact CG1-CB 4.43Å; I168-V438 HydrophobicContact CG1-CG1 3.99Å; I168-V438 HydrophobicContact CG1-CG2 4.17Å; F190-V438 HydrophobicContact CB-CG2 3.94Å; F190-V438 HydrophobicContact CD1-CG2 4.09Å; F190-V438 HydrophobicContact CD2-CG1 3.92Å; F190-V438 HydrophobicContact CD2-CG2 3.91Å; F190-V438 HydrophobicContact CE2-CG1 4.24Å; F190-V438 HydrophobicContact CE2-CG2 4.48Å; F190-V438 HydrophobicContact CG-CG2 3.69Å; I192-V438 HydrophobicContact CD1-CG2 3.83Å; R434-V438 PolarHBondContact O-N 2.88Å; T435-V438 WeakPolarHBondContact O-CA 3.25Å; T435-V438 WeakPolarHBondContact O-CB 3.24Å; T435-V438 PolarHBondContact O-N 3.07Å; E436-V438 VanDerWaalsContact C-N 3.32Å; V438-S440 PolarHBondContact O-N 3.44Å; V438-A441 PolarHBondContact O-N 3.3Å; V438-A442 PolarHBondContact O-N 2.92Å |
| 439 | Y | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.6 | -47 | 173.1 | -65.8 | -28.3 | 0 | 0 | 0 | 112.3 | F15 I17 L42 I110 H112 V136 T435 E436 A441 A442 M443 | F15-Y439 HydrophobicContact CD2-CD2 4.5Å; I17-Y439 HydrophobicContact CD1-CD2 3.85Å; I17-Y439 HydrophobicContact CD1-CE2 3.42Å; I17-Y439 VanDerWaalsContact CD1-CE2 3.42Å; I17-Y439 HydrophobicContact CG1-CE2 4.33Å; L42-Y439 HydrophobicContact CD1-CE2 3.88Å; L42-Y439 HydrophobicContact CD2-CE2 3.93Å; I110-Y439 HydrophobicContact CD1-CD1 3.83Å; I110-Y439 HydrophobicContact CD1-CD2 4.45Å; I110-Y439 HydrophobicContact CD1-CG 3.71Å; I110-Y439 HydrophobicContact CG2-CD1 3.97Å; I110-Y439 HydrophobicContact CG2-CE1 4.04Å; H112-Y439 HydrophobicContact CB-CE1 4.43Å; H112-Y439 AromaticContact ND1-CE1 3.74Å; H112-Y439 AromaticContact ND1-CZ 3.68Å; H112-Y439 PolarHBondContact ND1-OH 3.34Å; V136-Y439 HydrophobicContact CB-CD1 4.42Å; V136-Y439 HydrophobicContact CB-CE1 4.18Å; V136-Y439 HydrophobicContact CG1-CE1 4.37Å; V136-Y439 HydrophobicContact CG2-CD1 3.81Å; V136-Y439 HydrophobicContact CG2-CE1 4.07Å; T435-Y439 HydrophobicContact CG2-CD2 4.28Å; T435-Y439 HydrophobicContact CG2-CE1 3.91Å; T435-Y439 HydrophobicContact CG2-CE2 3.62Å; T435-Y439 VanDerWaalsContact CG2-CZ 3.42Å; T435-Y439 PolarHBondContact O-N 3.49Å; E436-Y439 PolarHBondContact O-N 2.89Å; Y439-A441 VanDerWaalsContact C-N 3.29Å; Y439-A441 PolarHBondContact O-N 3.02Å; Y439-A442 WeakPolarHBondContact O-CB 3.35Å; Y439-A442 PolarHBondContact O-N 3.38Å; Y439-A442 VanDerWaalsContact O-N 3.13Å; Y439-M443 VanDerWaalsContact O-CG 3.3Å; Y439-M443 WeakPolarHBondContact O-CG 3.14Å; Y439-M443 PolarHBondContact O-N 3.43Å |
| 440 | S | 95.8 | Very high | 92.3 | Very high | 60 Ų | 60 | 47.6 Ų | 47.6 | 42% | 0.42 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61 | -38.7 | 176.5 | -57.7 | 0 | 0 | 0 | 0 | 112 | E436 K437 V438 M443 S444 | E436-S440 WeakPolarHBondContact O-CB 3.23Å; E436-S440 PolarHBondContact O-N 3.4Å; E436-S440 PolarHBondContact O-OG 2.74Å; K437-S440 PolarHBondContact O-N 3.11Å; V438-S440 PolarHBondContact O-N 3.44Å; S440-M443 PolarHBondContact O-N 2.91Å; S440-S444 WeakPolarHBondContact O-CB 3.42Å; S440-S444 PolarHBondContact O-N 3.23Å |
| 441 | A | 94.7 | Very high | 91.9 | Very high | 26 Ų | 26 | 53.4 Ų | 53.4 | 22% | 0.215 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.9 | -27.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q166 F190 K437 V438 Y439 S444 | Q166-A441 PolarHBondContact NE2-O 3.47Å; F190-A441 HydrophobicContact CZ-CB 4.42Å; K437-A441 WeakPolarHBondContact O-CB 3.26Å; K437-A441 PolarHBondContact O-N 3.22Å; V438-A441 PolarHBondContact O-N 3.3Å; Y439-A441 VanDerWaalsContact C-N 3.29Å; Y439-A441 PolarHBondContact O-N 3.02Å; A441-S444 PolarHBondContact O-OG 2.85Å |
| 442 | A | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -73 | -40.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | R134 V136 D165 Q166 V438 Y439 | R134-A442 HydrophobicContact CB-CB 4.28Å; R134-A442 PolarHBondContact NH1-O 2.97Å; V136-A442 HydrophobicContact CG2-CB 4.14Å; D165-A442 HydrophobicContact CB-CB 4.18Å; Q166-A442 HydrophobicContact CG-CB 3.77Å; V438-A442 PolarHBondContact O-N 2.92Å; Y439-A442 WeakPolarHBondContact O-CB 3.35Å; Y439-A442 PolarHBondContact O-N 3.38Å; Y439-A442 VanDerWaalsContact O-N 3.13Å |
| 443 | M | 94.4 | Very high | 90.9 | Very high | 64 Ų | 64 | 57.4 Ų | 57.4 | 32% | 0.315 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -72.8 | -24.4 | 179.8 | -68.1 | -63.6 | -69.6 | 0 | 0 | 113.7 | F15 D109 I110 R134 Y439 S440 | F15-M443 HydrophobicContact CD1-CE 4.45Å; F15-M443 HydrophobicContact CD1-CG 4.26Å; F15-M443 HydrophobicContact CE1-CB 4.4Å; F15-M443 HydrophobicContact CE1-CE 4.33Å; F15-M443 HydrophobicContact CE1-CG 3.76Å; F15-M443 HydrophobicContact CZ-CB 4.5Å; F15-M443 HydrophobicContact CZ-CG 4.03Å; D109-M443 HydrophobicContact CB-CE 4.3Å; D109-M443 HydrophobicContact CB-SD 4.44Å; I110-M443 HydrophobicContact CD1-CG 4.09Å; I110-M443 HydrophobicContact CD1-SD 4.34Å; I110-M443 HydrophobicContact CG1-CG 4.37Å; I110-M443 HydrophobicContact CG1-SD 3.99Å; R134-M443 HydrophobicContact CB-SD 4.07Å; R134-M443 HydrophobicContact CG-CG 4.4Å; R134-M443 HydrophobicContact CG-SD 3.33Å; R134-M443 WeakPolarHBondContact CG-SD 3.4Å; Y439-M443 VanDerWaalsContact O-CG 3.3Å; Y439-M443 WeakPolarHBondContact O-CG 3.14Å; Y439-M443 PolarHBondContact O-N 3.43Å; S440-M443 PolarHBondContact O-N 2.91Å |
| 444 | S | 92.2 | Very high | 90.6 | Very high | 93 Ų | 93 | 57.5 Ų | 57.5 | 65% | 0.65 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -23.3 | -176.3 | 67.5 | 0 | 0 | 0 | 0 | 114.9 | S440 A441 | S440-S444 WeakPolarHBondContact O-CB 3.42Å; S440-S444 PolarHBondContact O-N 3.23Å; A441-S444 PolarHBondContact O-OG 2.85Å |
| 445 | K | 86.5 | Confident | 90.3 | Very high | 93 Ų | 93 | 56.6 Ų | 56.6 | 40% | 0.404 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -84.6 | 155.8 | 175.9 | -64 | -177.4 | 179.7 | -178.6 | 0 | 109.3 | R134 | R134-K445 PolarHBondContact NH1-O 3.39Å; R134-K445 PolarHBondContact NH2-O 3.17Å |
| 446 | P | 84.3 | Confident | 89.9 | Confident | 106 Ų | 106 | 60.4 Ų | 60.4 | 69% | 0.688 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -69 | 155.5 | 168.9 | 28.6 | -34.3 | 0 | 0 | 0 | 111.8 | R134 | R134-P446 PolarHBondContact NH1-O 2.97Š|
| 447 | P | 82.3 | Confident | 89.6 | Confident | 73 Ų | 73 | 59.8 Ų | 59.8 | 47% | 0.474 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 148.6 | 176.1 | 29 | -32.5 | 0 | 0 | 0 | 110.1 | S449 | P447-S449 PolarHBondContact O-N 3.18Š|
| 448 | V | 82.5 | Confident | 89.3 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 13% | 0.127 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 123.4 | -178.1 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | D452 R453 R456 | V448-D452 HydrophobicContact CG1-CB 3.82Å; V448-R453 HydrophobicContact CG1-CB 4.4Å; V448-R456 VanDerWaalsContact CG2-NH1 3.3Å |
| 449 | S | 84 | Confident | 88.9 | Confident | 49 Ų | 49 | 66.5 Ų | 66.5 | 34% | 0.343 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 155.8 | 176.8 | 78.1 | 0 | 0 | 0 | 0 | 111.4 | P447 Q451 D452 R453 | P447-S449 PolarHBondContact O-N 3.18Å; S449-Q451 PolarHBondContact O-N 3.46Å; S449-D452 WeakPolarHBondContact CB-OD2 3.47Å; S449-D452 PolarHBondContact O-N 3.38Å; S449-D452 WeakPolarHBondContact OG-CB 3.25Å; S449-D452 PolarHBondContact OG-N 3.07Å; S449-D452 VanDerWaalsContact OG-N 3.07Å; S449-D452 PolarHBondContact OG-OD2 2.67Å; S449-R453 PolarHBondContact O-N 3.15Å |
| 450 | L | 81.6 | Confident | 88.3 | Confident | 66 Ų | 66 | 67.7 Ų | 67.7 | 35% | 0.346 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.4 | -37.8 | 174.7 | 179.3 | 62.5 | 0 | 0 | 0 | 111.5 | R453 I454 W476 | L450-R453 WeakPolarHBondContact O-CB 3.3Å; L450-R453 PolarHBondContact O-N 2.97Å; L450-I454 HydrophobicContact CD1-CD1 4.2Å; L450-I454 HydrophobicContact CD1-CG1 4.35Å; L450-I454 HydrophobicContact CG-CD1 3.98Å; L450-I454 VanDerWaalsContact O-CG1 3.31Å; L450-I454 WeakPolarHBondContact O-CG1 3.43Å; L450-I454 PolarHBondContact O-N 2.96Å; L450-W476 HydrophobicContact CD2-CD2 4.49Å; L450-W476 HydrophobicContact CD2-CG 4.11Å |
| 451 | Q | 86.7 | Confident | 87.9 | Confident | 159 Ų | 159 | 66 Ų | 66 | 74% | 0.743 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.1 | -46.3 | 178.1 | -175.5 | 176.1 | 5.9 | 0 | 0 | 111.6 | S449 R453 I454 S455 | S449-Q451 PolarHBondContact O-N 3.46Å; Q451-R453 VanDerWaalsContact C-N 3.28Å; Q451-R453 PolarHBondContact O-N 2.99Å; Q451-I454 PolarHBondContact O-N 3.25Å; Q451-S455 PolarHBondContact O-N 3.17Å |
| 452 | D | 86.9 | Confident | 87.4 | Confident | 81 Ų | 81 | 70 Ų | 70 | 43% | 0.433 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.6 | -37.6 | 176.2 | -63.4 | -42.3 | 0 | 0 | 0 | 111.3 | V448 S449 S455 R456 | V448-D452 HydrophobicContact CG1-CB 3.82Å; S449-D452 WeakPolarHBondContact CB-OD2 3.47Å; S449-D452 PolarHBondContact O-N 3.38Å; S449-D452 WeakPolarHBondContact OG-CB 3.25Å; S449-D452 PolarHBondContact OG-N 3.07Å; S449-D452 VanDerWaalsContact OG-N 3.07Å; S449-D452 PolarHBondContact OG-OD2 2.67Å; D452-S455 WeakPolarHBondContact O-CB 3.42Å; D452-S455 PolarHBondContact O-N 2.91Å; D452-R456 VanDerWaalsContact O-CG 3.31Å; D452-R456 WeakPolarHBondContact O-CG 3.42Å; D452-R456 PolarHBondContact O-N 3.45Å |
| 453 | R | 85.9 | Confident | 87 | Confident | 10 Ų | 10 | 75.8 Ų | 75.8 | 4% | 0.038 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -62 | -49.8 | 175.2 | -166.9 | -164.3 | -172.5 | 159 | -10.1 | 111.5 | V126 Q129 S130 V448 S449 L450 Q451 S455 R456 L457 | V126-R453 PolarHBondContact O-NH1 2.79Å; Q129-R453 VanDerWaalsContact OE1-CD 3.23Å; S130-R453 PolarHBondContact OG-NH1 3.01Å; V448-R453 HydrophobicContact CG1-CB 4.4Å; S449-R453 PolarHBondContact O-N 3.15Å; L450-R453 WeakPolarHBondContact O-CB 3.3Å; L450-R453 PolarHBondContact O-N 2.97Å; Q451-R453 VanDerWaalsContact C-N 3.28Å; Q451-R453 PolarHBondContact O-N 2.99Å; R453-S455 PolarHBondContact O-N 3.26Å; R453-R456 PolarHBondContact O-N 3.35Å; R453-L457 HydrophobicContact CG-CD1 4.06Å; R453-L457 HydrophobicContact CG-CG 4.4Å; R453-L457 WeakPolarHBondContact O-CB 3.42Å; R453-L457 VanDerWaalsContact O-CG 3.32Å; R453-L457 WeakPolarHBondContact O-CG 3.2Å; R453-L457 PolarHBondContact O-N 3.35Å |
| 454 | I | 88.8 | Confident | 86.6 | Confident | 55 Ų | 55 | 74.6 Ų | 74.6 | 28% | 0.282 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 177.8 | -70.7 | 169.4 | 0 | 0 | 0 | 110 | L450 Q451 L457 Y458 C469 | L450-I454 HydrophobicContact CD1-CD1 4.2Å; L450-I454 HydrophobicContact CD1-CG1 4.35Å; L450-I454 HydrophobicContact CG-CD1 3.98Å; L450-I454 VanDerWaalsContact O-CG1 3.31Å; L450-I454 WeakPolarHBondContact O-CG1 3.43Å; L450-I454 PolarHBondContact O-N 2.96Å; Q451-I454 PolarHBondContact O-N 3.25Å; I454-L457 PolarHBondContact O-N 3.49Å; I454-Y458 WeakPolarHBondContact O-CB 3.48Å; I454-Y458 PolarHBondContact O-N 3.28Å; I454-C469 PolarHBondContact O-SG 2.99Å; I454-C469 VanDerWaalsContact O-SG 3.34Å |
| 455 | S | 89.8 | Confident | 86.5 | Confident | 63 Ų | 63 | 70.1 Ų | 70.1 | 44% | 0.441 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.6 | -49.2 | 175.4 | -175 | 0 | 0 | 0 | 0 | 112.1 | Q451 D452 R453 L457 Y458 Q459 | Q451-S455 PolarHBondContact O-N 3.17Å; D452-S455 WeakPolarHBondContact O-CB 3.42Å; D452-S455 PolarHBondContact O-N 2.91Å; R453-S455 PolarHBondContact O-N 3.26Å; S455-L457 PolarHBondContact O-N 2.95Å; S455-Y458 PolarHBondContact O-N 3.25Å; S455-Q459 WeakPolarHBondContact O-CG 3.34Å; S455-Q459 PolarHBondContact O-N 2.93Å |
| 456 | R | 89.5 | Confident | 86.7 | Confident | 82 Ų | 82 | 71.6 Ų | 71.6 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 176.6 | -69.5 | 172.8 | -170.1 | -178.1 | 3.6 | 112.4 | T162 V448 D452 R453 Y458 Q459 | T162-R456 HydrophobicContact CG2-CB 4.23Å; T162-R456 PolarHBondContact O-NH1 3.01Å; V448-R456 VanDerWaalsContact CG2-NH1 3.3Å; D452-R456 VanDerWaalsContact O-CG 3.31Å; D452-R456 WeakPolarHBondContact O-CG 3.42Å; D452-R456 PolarHBondContact O-N 3.45Å; R453-R456 PolarHBondContact O-N 3.35Å; R456-Y458 VanDerWaalsContact C-N 3.34Å; R456-Y458 PolarHBondContact O-N 3.27Å; R456-Q459 WeakPolarHBondContact O-CB 3.47Å; R456-Q459 PolarHBondContact O-N 3.18Å |
| 457 | L | 89.5 | Confident | 86.9 | Confident | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.037 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | 178.8 | -73.4 | 174.9 | 0 | 0 | 0 | 111.6 | T162 R453 I454 S455 Q459 L460 G465 A472 | T162-L457 HydrophobicContact CG2-CD2 3.93Å; T162-L457 VanDerWaalsContact OG1-CD2 3.24Å; T162-L457 WeakPolarHBondContact OG1-CD2 3.47Å; R453-L457 HydrophobicContact CG-CD1 4.06Å; R453-L457 HydrophobicContact CG-CG 4.4Å; R453-L457 WeakPolarHBondContact O-CB 3.42Å; R453-L457 VanDerWaalsContact O-CG 3.32Å; R453-L457 WeakPolarHBondContact O-CG 3.2Å; R453-L457 PolarHBondContact O-N 3.35Å; I454-L457 PolarHBondContact O-N 3.49Å; S455-L457 PolarHBondContact O-N 2.95Å; L457-Q459 PolarHBondContact O-N 3.25Å; L457-L460 HydrophobicContact CD2-CD1 3.95Å; L457-L460 VanDerWaalsContact O-CB 3.25Å; L457-L460 WeakPolarHBondContact O-CB 3.33Å; L457-L460 VanDerWaalsContact O-CG 3.23Å; L457-L460 WeakPolarHBondContact O-CG 3.46Å; L457-L460 PolarHBondContact O-N 3.37Å; L457-L460 VanDerWaalsContact O-N 3.13Å; L457-G465 WeakPolarHBondContact O-CA 3.25Å; L457-A472 HydrophobicContact CD1-CB 3.7Å |
| 458 | Y | 90.7 | Very high | 87.2 | Confident | 137 Ų | 137 | 70 Ų | 70 | 54% | 0.537 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.4 | -30.7 | 178.9 | -166.3 | -102.4 | 0 | 0 | 0 | 112.6 | I454 S455 R456 L460 G461 K466 | I454-Y458 WeakPolarHBondContact O-CB 3.48Å; I454-Y458 PolarHBondContact O-N 3.28Å; S455-Y458 PolarHBondContact O-N 3.25Å; R456-Y458 VanDerWaalsContact C-N 3.34Å; R456-Y458 PolarHBondContact O-N 3.27Å; Y458-L460 PolarHBondContact O-N 2.82Å; Y458-G461 PolarHBondContact O-N 3.15Å; Y458-K466 HydrophobicContact CE2-CG 4.09Å |
| 459 | Q | 88.5 | Confident | 87.6 | Confident | 152 Ų | 152 | 69.6 Ų | 69.6 | 71% | 0.71 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -10.6 | 177 | -68.1 | 173.5 | 2.6 | 0 | 0 | 114 | S455 R456 L457 G461 | S455-Q459 WeakPolarHBondContact O-CG 3.34Å; S455-Q459 PolarHBondContact O-N 2.93Å; R456-Q459 WeakPolarHBondContact O-CB 3.47Å; R456-Q459 PolarHBondContact O-N 3.18Å; L457-Q459 PolarHBondContact O-N 3.25Å; Q459-G461 PolarHBondContact O-N 2.8Å |
| 460 | L | 86 | Confident | 87.9 | Confident | 25 Ų | 25 | 74 Ų | 74 | 13% | 0.131 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -12.1 | 178 | -62.4 | 177.8 | 0 | 0 | 0 | 114 | K155 E158 T162 L457 Y458 T464 T468 | K155-L460 PolarHBondContact NZ-O 3.22Å; E158-L460 HydrophobicContact CB-CD2 3.74Å; T162-L460 HydrophobicContact CG2-CD1 4.48Å; L457-L460 HydrophobicContact CD2-CD1 3.95Å; L457-L460 VanDerWaalsContact O-CB 3.25Å; L457-L460 WeakPolarHBondContact O-CB 3.33Å; L457-L460 VanDerWaalsContact O-CG 3.23Å; L457-L460 WeakPolarHBondContact O-CG 3.46Å; L457-L460 PolarHBondContact O-N 3.37Å; L457-L460 VanDerWaalsContact O-N 3.13Å; Y458-L460 PolarHBondContact O-N 2.82Å; L460-T464 HydrophobicContact CB-CG2 4.29Å; L460-T468 HydrophobicContact CD1-CG2 4.29Å |
| 461 | G | 85.8 | Confident | 88.3 | Confident | 24 Ų | 24 | 72.6 Ų | 72.6 | 25% | 0.247 | 37% | 0.371 | C | S | . | . | trans | 130.1 | 171.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y458 Q459 L463 G465 | Y458-G461 PolarHBondContact O-N 3.15Å; Q459-G461 PolarHBondContact O-N 2.8Å; G461-L463 PolarHBondContact O-N 2.91Å; G461-G465 VanDerWaalsContact O-CA 3.29Å; G461-G465 WeakPolarHBondContact O-CA 3.4Å; G461-G465 PolarHBondContact O-N 3.42Å | ||
| 462 | P | 85.5 | Confident | 88.4 | Confident | 109 Ų | 109 | 65.4 Ų | 65.4 | 71% | 0.708 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -32 | -168.9 | 24.7 | -34.8 | 0 | 0 | 0 | 114.3 | K466 | P462-K466 WeakPolarHBondContact O-CD 3.3Å; P462-K466 VanDerWaalsContact O-CE 3.3Å; P462-K466 WeakPolarHBondContact O-CE 3.47Å; P462-K466 VanDerWaalsContact O-CG 3.24Å; P462-K466 WeakPolarHBondContact O-CG 3.33Å |
| 463 | L | 86.4 | Confident | 88.6 | Confident | 123 Ų | 123 | 65.4 Ų | 65.4 | 64% | 0.644 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -60 | 176.1 | -175.8 | 66.2 | 0 | 0 | 0 | 110.7 | G461 G465 K466 M467 | G461-L463 PolarHBondContact O-N 2.91Å; L463-G465 VanDerWaalsContact C-N 3.32Å; L463-G465 PolarHBondContact O-N 2.93Å; L463-K466 PolarHBondContact O-N 2.83Å; L463-K466 VanDerWaalsContact O-N 3.14Å; L463-M467 WeakPolarHBondContact O-CG 3.3Å; L463-M467 PolarHBondContact O-N 3.3Å |
| 464 | T | 85.8 | Confident | 89 | Confident | 38 Ų | 38 | 68.6 Ų | 68.6 | 23% | 0.233 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.7 | -45.1 | -177.5 | -52.5 | 0 | 0 | 0 | 0 | 112.1 | L460 K466 M467 T468 | L460-T464 HydrophobicContact CB-CG2 4.29Å; T464-K466 PolarHBondContact O-N 2.76Å; T464-M467 PolarHBondContact O-N 3.25Å; T464-T468 HydrophobicContact CG2-CG2 4.36Å; T464-T468 WeakPolarHBondContact O-CG2 3.48Å; T464-T468 PolarHBondContact O-N 3.28Å; T464-T468 PolarHBondContact O-OG1 2.85Å; T464-T468 VanDerWaalsContact O-OG1 3.07Å |
| 465 | G | 89.5 | Confident | 89.2 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.1 | -37 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L457 G461 L463 T468 C469 | L457-G465 WeakPolarHBondContact O-CA 3.25Å; G461-G465 VanDerWaalsContact O-CA 3.29Å; G461-G465 WeakPolarHBondContact O-CA 3.4Å; G461-G465 PolarHBondContact O-N 3.42Å; L463-G465 VanDerWaalsContact C-N 3.32Å; L463-G465 PolarHBondContact O-N 2.93Å; G465-T468 WeakPolarHBondContact CA-OG1 3.26Å; G465-T468 PolarHBondContact O-OG1 3.48Å; G465-T468 VanDerWaalsContact O-OG1 3.11Å; G465-C469 VanDerWaalsContact O-CB 3.31Å; G465-C469 WeakPolarHBondContact O-CB 3.24Å; G465-C469 PolarHBondContact O-N 3.04Å; G465-C469 PolarHBondContact O-SG 3Å |
| 466 | K | 89.9 | Confident | 89.3 | Confident | 124 Ų | 124 | 68.1 Ų | 68.1 | 54% | 0.539 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 174.5 | -69.8 | -178 | -170.7 | 175.7 | 0 | 111.7 | Y458 P462 L463 T464 F470 | Y458-K466 HydrophobicContact CE2-CG 4.09Å; P462-K466 WeakPolarHBondContact O-CD 3.3Å; P462-K466 VanDerWaalsContact O-CE 3.3Å; P462-K466 WeakPolarHBondContact O-CE 3.47Å; P462-K466 VanDerWaalsContact O-CG 3.24Å; P462-K466 WeakPolarHBondContact O-CG 3.33Å; L463-K466 PolarHBondContact O-N 2.83Å; L463-K466 VanDerWaalsContact O-N 3.14Å; T464-K466 PolarHBondContact O-N 2.76Å; K466-F470 WeakPolarHBondContact O-CB 3.33Å; K466-F470 PolarHBondContact O-N 2.93Å |
| 467 | M | 88.6 | Confident | 89.5 | Confident | 113 Ų | 113 | 68.6 Ų | 68.6 | 56% | 0.557 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.6 | -42.6 | 178.3 | -64.1 | -165.7 | -42.4 | 0 | 0 | 111.9 | L463 T464 F470 A471 | L463-M467 WeakPolarHBondContact O-CG 3.3Å; L463-M467 PolarHBondContact O-N 3.3Å; T464-M467 PolarHBondContact O-N 3.25Å; M467-F470 PolarHBondContact O-N 2.96Å; M467-A471 PolarHBondContact O-N 3.31Å |
| 468 | T | 88.7 | Confident | 89.8 | Confident | 33 Ų | 33 | 70.6 Ų | 70.6 | 20% | 0.202 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71.7 | -36.2 | 179.4 | 55.3 | 0 | 0 | 0 | 0 | 112.4 | L460 T464 G465 A471 A472 | L460-T468 HydrophobicContact CD1-CG2 4.29Å; T464-T468 HydrophobicContact CG2-CG2 4.36Å; T464-T468 WeakPolarHBondContact O-CG2 3.48Å; T464-T468 PolarHBondContact O-N 3.28Å; T464-T468 PolarHBondContact O-OG1 2.85Å; T464-T468 VanDerWaalsContact O-OG1 3.07Å; G465-T468 WeakPolarHBondContact CA-OG1 3.26Å; G465-T468 PolarHBondContact O-OG1 3.48Å; G465-T468 VanDerWaalsContact O-OG1 3.11Å; T468-A471 PolarHBondContact O-N 2.95Å; T468-A472 WeakPolarHBondContact O-CB 3.14Å; T468-A472 PolarHBondContact O-N 3.37Å |
| 469 | C | 91.1 | Very high | 90 | Very high | 12 Ų | 12 | 64.5 Ų | 64.5 | 8% | 0.081 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 170.7 | -73.6 | 0 | 0 | 0 | 0 | 111.9 | I454 G465 A471 A472 I473 | I454-C469 PolarHBondContact O-SG 2.99Å; I454-C469 VanDerWaalsContact O-SG 3.34Å; G465-C469 VanDerWaalsContact O-CB 3.31Å; G465-C469 WeakPolarHBondContact O-CB 3.24Å; G465-C469 PolarHBondContact O-N 3.04Å; G465-C469 PolarHBondContact O-SG 3Å; C469-A471 PolarHBondContact O-N 2.93Å; C469-A472 PolarHBondContact O-N 2.89Å; C469-I473 WeakPolarHBondContact O-CG1 3.48Å; C469-I473 PolarHBondContact O-N 3.42Å |
| 470 | F | 90.9 | Very high | 90.3 | Very high | 142 Ų | 142 | 61.6 Ų | 61.6 | 62% | 0.623 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60 | -45.8 | 174.8 | 178.1 | -98.8 | 0 | 0 | 0 | 111.7 | K466 M467 A472 I473 L474 | K466-F470 WeakPolarHBondContact O-CB 3.33Å; K466-F470 PolarHBondContact O-N 2.93Å; M467-F470 PolarHBondContact O-N 2.96Å; F470-A472 VanDerWaalsContact C-N 3.3Å; F470-A472 PolarHBondContact O-N 3.02Å; F470-I473 PolarHBondContact O-N 3.33Å; F470-L474 PolarHBondContact O-N 3.12Å |
| 471 | A | 89.2 | Confident | 90.8 | Very high | 36 Ų | 36 | 65.7 Ų | 65.7 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M467 T468 C469 L474 H475 | M467-A471 PolarHBondContact O-N 3.31Å; T468-A471 PolarHBondContact O-N 2.95Å; C469-A471 PolarHBondContact O-N 2.93Å; A471-L474 PolarHBondContact O-N 2.86Å; A471-H475 VanDerWaalsContact O-CB 3.25Å; A471-H475 WeakPolarHBondContact O-CB 3.29Å; A471-H475 PolarHBondContact O-N 3.13Å |
| 472 | A | 89.9 | Confident | 91.3 | Very high | 7 Ų | 7 | 65.4 Ų | 65.4 | 6% | 0.058 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.8 | -37.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L457 T468 C469 F470 W476 | L457-A472 HydrophobicContact CD1-CB 3.7Å; T468-A472 WeakPolarHBondContact O-CB 3.14Å; T468-A472 PolarHBondContact O-N 3.37Å; C469-A472 PolarHBondContact O-N 2.89Å; F470-A472 VanDerWaalsContact C-N 3.3Å; F470-A472 PolarHBondContact O-N 3.02Å; A472-W476 WeakPolarHBondContact O-CB 3.1Å; A472-W476 PolarHBondContact O-N 2.83Å |
| 473 | I | 91.5 | Very high | 91.7 | Very high | 81 Ų | 81 | 61.9 Ų | 61.9 | 42% | 0.415 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.1 | -45.1 | 174.7 | -66.6 | 166.2 | 0 | 0 | 0 | 110.4 | C469 F470 H475 W476 L477 | C469-I473 WeakPolarHBondContact O-CG1 3.48Å; C469-I473 PolarHBondContact O-N 3.42Å; F470-I473 PolarHBondContact O-N 3.33Å; I473-H475 VanDerWaalsContact C-N 3.33Å; I473-H475 PolarHBondContact O-N 2.88Å; I473-W476 PolarHBondContact O-N 3.35Å; I473-L477 HydrophobicContact CG2-CD1 4.21Å; I473-L477 WeakPolarHBondContact O-CG 3.45Å; I473-L477 PolarHBondContact O-N 3.17Å |
| 474 | L | 92.8 | Very high | 92.1 | Very high | 77 Ų | 77 | 65.2 Ų | 65.2 | 40% | 0.403 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 176.9 | -177.1 | 62.5 | 0 | 0 | 0 | 111.6 | L93 F470 A471 L477 L478 | L93-L474 HydrophobicContact CD1-CD2 3.83Å; L93-L474 HydrophobicContact CD1-CG 3.89Å; F470-L474 PolarHBondContact O-N 3.12Å; A471-L474 PolarHBondContact O-N 2.86Å; L474-L477 PolarHBondContact O-N 3.39Å; L474-L478 WeakPolarHBondContact O-CB 3.38Å; L474-L478 PolarHBondContact O-N 2.93Å |
| 475 | H | 93.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 68.8 Ų | 68.8 | 2% | 0.019 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.9 | -47.2 | 173.1 | 178.7 | -81.4 | 0 | 0 | 0 | 111.6 | L93 H127 S130 A471 I473 L478 L479 | L93-H475 HydrophobicContact CD2-CB 3.65Å; H127-H475 AromaticContact CE1-CD2 3.86Å; H127-H475 AromaticContact CE1-NE2 3.52Å; H127-H475 AromaticContact CG-NE2 3.82Å; H127-H475 AromaticContact ND1-CD2 3.63Å; H127-H475 AromaticContact ND1-CE1 3.98Å; H127-H475 AromaticContact ND1-NE2 2.92Å; H127-H475 PolarHBondContact ND1-NE2 2.93Å; S130-H475 PolarHBondContact OG-CE1 3.21Å; S130-H475 VanDerWaalsContact OG-CE1 3.25Å; S130-H475 PolarHBondContact OG-ND1 3.37Å; A471-H475 VanDerWaalsContact O-CB 3.25Å; A471-H475 WeakPolarHBondContact O-CB 3.29Å; A471-H475 PolarHBondContact O-N 3.13Å; I473-H475 VanDerWaalsContact C-N 3.33Å; I473-H475 PolarHBondContact O-N 2.88Å; H475-L478 PolarHBondContact O-N 3.1Å; H475-L479 PolarHBondContact O-N 3Å |
| 476 | W | 92.3 | Very high | 92.8 | Very high | 104 Ų | 104 | 73.7 Ų | 73.7 | 39% | 0.394 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 177.2 | 177.5 | 83.3 | 0 | 0 | 0 | 112.4 | L450 A472 I473 L478 L479 Q480 | L450-W476 HydrophobicContact CD2-CD2 4.49Å; L450-W476 HydrophobicContact CD2-CG 4.11Å; A472-W476 WeakPolarHBondContact O-CB 3.1Å; A472-W476 PolarHBondContact O-N 2.83Å; I473-W476 PolarHBondContact O-N 3.35Å; W476-L478 VanDerWaalsContact C-N 3.33Å; W476-L478 PolarHBondContact O-N 3.29Å; W476-L479 WeakPolarHBondContact O-CB 3.31Å; W476-L479 PolarHBondContact O-N 3.3Å; W476-Q480 HydrophobicContact CD2-CG 4.13Å; W476-Q480 HydrophobicContact CE3-CG 4.36Å; W476-Q480 HydrophobicContact CH2-CG 4.02Å; W476-Q480 HydrophobicContact CZ2-CG 3.76Å; W476-Q480 HydrophobicContact CZ3-CG 4.31Å; W476-Q480 WeakPolarHBondContact O-CG 3.44Å; W476-Q480 PolarHBondContact O-N 3.48Å |
| 477 | L | 94.4 | Very high | 93.1 | Very high | 92 Ų | 92 | 69.6 Ų | 69.6 | 48% | 0.482 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 176.3 | -73.6 | 172.1 | 0 | 0 | 0 | 111.8 | I473 L474 L479 Q480 F481 | I473-L477 HydrophobicContact CG2-CD1 4.21Å; I473-L477 WeakPolarHBondContact O-CG 3.45Å; I473-L477 PolarHBondContact O-N 3.17Å; L474-L477 PolarHBondContact O-N 3.39Å; L477-L479 VanDerWaalsContact C-N 3.32Å; L477-L479 PolarHBondContact O-N 2.9Å; L477-Q480 PolarHBondContact O-N 3.38Å; L477-F481 PolarHBondContact O-N 2.89Å |
| 478 | L | 95 | Very high | 93.3 | Very high | 49 Ų | 49 | 69.6 Ų | 69.6 | 26% | 0.257 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 175.8 | 179.7 | 62.7 | 0 | 0 | 0 | 111.2 | L93 L96 L474 H475 W476 Q480 F481 I482 | L93-L478 HydrophobicContact CB-CD2 3.7Å; L93-L478 HydrophobicContact CD1-CD2 4.08Å; L93-L478 HydrophobicContact CD2-CD2 4.34Å; L93-L478 HydrophobicContact CG-CD2 4.25Å; L96-L478 HydrophobicContact CD2-CB 4.42Å; L96-L478 HydrophobicContact CD2-CD2 4.02Å; L96-L478 HydrophobicContact CD2-CG 4.08Å; L474-L478 WeakPolarHBondContact O-CB 3.38Å; L474-L478 PolarHBondContact O-N 2.93Å; H475-L478 PolarHBondContact O-N 3.1Å; W476-L478 VanDerWaalsContact C-N 3.33Å; W476-L478 PolarHBondContact O-N 3.29Å; L478-Q480 VanDerWaalsContact C-N 3.34Å; L478-Q480 PolarHBondContact O-N 3.49Å; L478-F481 HydrophobicContact CD1-CD1 4.36Å; L478-F481 PolarHBondContact O-N 3.13Å; L478-I482 HydrophobicContact CD1-CD1 4.08Å; L478-I482 HydrophobicContact CD1-CG1 4.2Å; L478-I482 HydrophobicContact CD2-CD1 4.36Å; L478-I482 HydrophobicContact CG-CD1 3.77Å; L478-I482 HydrophobicContact CG-CG1 4.34Å; L478-I482 VanDerWaalsContact O-CG1 3.27Å; L478-I482 WeakPolarHBondContact O-CG1 3.32Å; L478-I482 PolarHBondContact O-N 2.96Å |
| 479 | L | 95 | Very high | 93.5 | Very high | 10 Ų | 10 | 76.2 Ų | 76.2 | 5% | 0.052 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.3 | -42 | 174.6 | -180 | 58.3 | 0 | 0 | 0 | 111.6 | L96 L131 H475 W476 L477 F481 I482 S483 | L96-L479 HydrophobicContact CD1-CD1 4.43Å; L96-L479 HydrophobicContact CD2-CB 4.19Å; L131-L479 HydrophobicContact CD2-CD1 3.84Å; L131-L479 HydrophobicContact CD2-CD2 4.37Å; H475-L479 PolarHBondContact O-N 3Å; W476-L479 WeakPolarHBondContact O-CB 3.31Å; W476-L479 PolarHBondContact O-N 3.3Å; L477-L479 VanDerWaalsContact C-N 3.32Å; L477-L479 PolarHBondContact O-N 2.9Å; L479-F481 VanDerWaalsContact C-N 3.35Å; L479-I482 PolarHBondContact O-N 3.17Å; L479-S483 WeakPolarHBondContact O-CB 3.33Å; L479-S483 PolarHBondContact O-N 3.01Å; L479-S483 PolarHBondContact O-OG 3.5Å |
| 480 | Q | 95.2 | Very high | 93.7 | Very high | 90 Ų | 90 | 80.4 Ų | 80.4 | 42% | 0.421 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 174.6 | -62.7 | -48.4 | -52.4 | 0 | 0 | 111.5 | W476 L477 L478 S483 W484 | W476-Q480 HydrophobicContact CD2-CG 4.13Å; W476-Q480 HydrophobicContact CE3-CG 4.36Å; W476-Q480 HydrophobicContact CH2-CG 4.02Å; W476-Q480 HydrophobicContact CZ2-CG 3.76Å; W476-Q480 HydrophobicContact CZ3-CG 4.31Å; W476-Q480 WeakPolarHBondContact O-CG 3.44Å; W476-Q480 PolarHBondContact O-N 3.48Å; L477-Q480 PolarHBondContact O-N 3.38Å; L478-Q480 VanDerWaalsContact C-N 3.34Å; L478-Q480 PolarHBondContact O-N 3.49Å; Q480-S483 PolarHBondContact O-N 3.21Å; Q480-W484 WeakPolarHBondContact O-CB 3.49Å; Q480-W484 PolarHBondContact O-N 3.18Å |
| 481 | F | 96.5 | Very high | 93.8 | Very high | 112 Ų | 112 | 74 Ų | 74 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 177.3 | 177.7 | -104.7 | 0 | 0 | 0 | 112.6 | L477 L478 L479 W484 L485 | L477-F481 PolarHBondContact O-N 2.89Å; L478-F481 HydrophobicContact CD1-CD1 4.36Å; L478-F481 PolarHBondContact O-N 3.13Å; L479-F481 VanDerWaalsContact C-N 3.35Å; F481-W484 HydrophobicContact CD2-CE3 4.12Å; F481-W484 HydrophobicContact CD2-CZ3 4.45Å; F481-W484 HydrophobicContact CE2-CE3 4.01Å; F481-W484 AromaticContact CE2-CZ3 3.91Å; F481-W484 HydrophobicContact CE2-CZ3 3.91Å; F481-W484 PolarHBondContact O-N 3Å; F481-L485 HydrophobicContact CE1-CD2 4.45Å; F481-L485 WeakPolarHBondContact O-CB 3.31Å; F481-L485 PolarHBondContact O-N 3.23Å |
| 482 | I | 95.3 | Very high | 94 | Very high | 18 Ų | 18 | 77.5 Ų | 77.5 | 9% | 0.092 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 176.3 | -67.7 | 163.5 | 0 | 0 | 0 | 110.5 | L96 P97 L478 L479 W484 L485 R486 | L96-I482 HydrophobicContact CB-CD1 4.4Å; L96-I482 HydrophobicContact CD2-CD1 3.88Å; L96-I482 HydrophobicContact CG-CD1 3.9Å; P97-I482 HydrophobicContact CB-CD1 4.24Å; P97-I482 HydrophobicContact CG-CD1 3.73Å; P97-I482 HydrophobicContact CG-CG1 4.46Å; L478-I482 HydrophobicContact CD1-CD1 4.08Å; L478-I482 HydrophobicContact CD1-CG1 4.2Å; L478-I482 HydrophobicContact CD2-CD1 4.36Å; L478-I482 HydrophobicContact CG-CD1 3.77Å; L478-I482 HydrophobicContact CG-CG1 4.34Å; L478-I482 VanDerWaalsContact O-CG1 3.27Å; L478-I482 WeakPolarHBondContact O-CG1 3.32Å; L478-I482 PolarHBondContact O-N 2.96Å; L479-I482 PolarHBondContact O-N 3.17Å; I482-W484 PolarHBondContact O-N 3.34Å; I482-L485 PolarHBondContact O-N 2.9Å; I482-R486 WeakPolarHBondContact O-CA 3.31Å; I482-R486 PolarHBondContact O-N 3.49Å |
| 483 | S | 94.1 | Very high | 94.2 | Very high | 34 Ų | 34 | 81.4 Ų | 81.4 | 24% | 0.238 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.8 | -31.9 | 177.8 | -67.9 | 0 | 0 | 0 | 0 | 112.5 | R100 L479 Q480 R486 P487 | R100-S483 PolarHBondContact NE-OG 3.04Å; R100-S483 PolarHBondContact NH2-OG 3.32Å; L479-S483 WeakPolarHBondContact O-CB 3.33Å; L479-S483 PolarHBondContact O-N 3.01Å; L479-S483 PolarHBondContact O-OG 3.5Å; Q480-S483 PolarHBondContact O-N 3.21Å; S483-R486 CarbonylContact O-C 3.42Å; S483-P487 VanDerWaalsContact O-CA 3.26Å; S483-P487 WeakPolarHBondContact O-CA 3.43Å |
| 484 | W | 95.6 | Very high | 93.9 | Very high | 193 Ų | 193 | 79.3 Ų | 79.3 | 73% | 0.731 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -71 | -45 | 171.9 | 174.4 | 74 | 0 | 0 | 0 | 112.4 | Q480 F481 I482 | Q480-W484 WeakPolarHBondContact O-CB 3.49Å; Q480-W484 PolarHBondContact O-N 3.18Å; F481-W484 HydrophobicContact CD2-CE3 4.12Å; F481-W484 HydrophobicContact CD2-CZ3 4.45Å; F481-W484 HydrophobicContact CE2-CE3 4.01Å; F481-W484 AromaticContact CE2-CZ3 3.91Å; F481-W484 HydrophobicContact CE2-CZ3 3.91Å; F481-W484 PolarHBondContact O-N 3Å; I482-W484 PolarHBondContact O-N 3.34Å |
| 485 | L | 95.7 | Very high | 93.1 | Very high | 113 Ų | 113 | 77.9 Ų | 77.9 | 59% | 0.592 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -71 | -35.6 | -179.5 | -175.1 | 66.3 | 0 | 0 | 0 | 112.9 | F481 I482 | F481-L485 HydrophobicContact CE1-CD2 4.45Å; F481-L485 WeakPolarHBondContact O-CB 3.31Å; F481-L485 PolarHBondContact O-N 3.23Å; I482-L485 PolarHBondContact O-N 2.9Å |
| 486 | R | 94.9 | Very high | 91.8 | Very high | 103 Ų | 103 | 79.3 Ų | 79.3 | 39% | 0.389 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -133.3 | 76.7 | -178.4 | -166.2 | 73.9 | 178.3 | 170.1 | 6.8 | 110 | R100 I482 S483 M490 | R100-R486 PolarHBondContact NH1-O 3.3Å; R100-R486 PolarHBondContact NH2-O 3.39Å; R100-R486 VanDerWaalsContact NH2-O 3.1Å; I482-R486 WeakPolarHBondContact O-CA 3.31Å; I482-R486 PolarHBondContact O-N 3.49Å; S483-R486 CarbonylContact O-C 3.42Å; R486-M490 PolarHBondContact NH2-O 3.3Å |
| 487 | P | 95.4 | Very high | 90.5 | Very high | 38 Ų | 38 | 79.1 Ų | 79.1 | 25% | 0.247 | 39% | 0.388 | C | S | . | . | trans | -57.1 | 151.6 | 177.8 | -24.5 | 34.6 | 0 | 0 | 0 | 112.6 | S483 Q489 M490 | S483-P487 VanDerWaalsContact O-CA 3.26Å; S483-P487 WeakPolarHBondContact O-CA 3.43Å; P487-Q489 PolarHBondContact O-N 3.31Å; P487-M490 WeakPolarHBondContact O-CB 3.39Å; P487-M490 PolarHBondContact O-N 3.48Å | ||
| 488 | E | 93.1 | Very high | 88.9 | Confident | 113 Ų | 113 | 79.9 Ų | 79.9 | 53% | 0.528 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -59.7 | -30.4 | -177.1 | -54.8 | -170.9 | 171.4 | 0 | 0 | 112.7 | I104 M490 I491 | I104-E488 HydrophobicContact CD1-CG 3.97Å; E488-M490 PolarHBondContact O-N 2.87Å; E488-M490 VanDerWaalsContact O-N 3.17Å; E488-I491 PolarHBondContact O-N 3.32Å; E488-I491 VanDerWaalsContact O-N 3.09Å |
| 489 | Q | 92.7 | Very high | 87.3 | Confident | 172 Ų | 172 | 80.1 Ų | 80.1 | 80% | 0.804 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -67.4 | -15.5 | 179.4 | -49.5 | 89 | 10.4 | 0 | 0 | 113.2 | P487 | P487-Q489 PolarHBondContact O-N 3.31Š|
| 490 | M | 94.2 | Very high | 85.6 | Confident | 100 Ų | 100 | 85 Ų | 85 | 49% | 0.493 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -88.5 | -3.6 | 176.3 | -63.1 | -170.7 | 72.4 | 0 | 0 | 113.4 | R486 P487 E488 | R486-M490 PolarHBondContact NH2-O 3.3Å; P487-M490 WeakPolarHBondContact O-CB 3.39Å; P487-M490 PolarHBondContact O-N 3.48Å; E488-M490 PolarHBondContact O-N 2.87Å; E488-M490 VanDerWaalsContact O-N 3.17Å |
| 491 | I | 94.2 | Very high | 83.9 | Confident | 7 Ų | 7 | 83.4 Ų | 83.4 | 4% | 0.036 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -100.3 | 115.8 | -176.3 | -55.8 | 178.8 | 0 | 0 | 0 | 107.8 | E101 I104 R105 E488 I493 | E101-I491 VanDerWaalsContact OE2-CD1 3.27Å; E101-I491 WeakPolarHBondContact OE2-CD1 3.39Å; E101-I491 WeakPolarHBondContact OE2-CG1 3.44Å; I104-I491 HydrophobicContact CB-CD1 4.07Å; I104-I491 HydrophobicContact CB-CG2 4.24Å; I104-I491 HydrophobicContact CD1-CD1 3.65Å; I104-I491 HydrophobicContact CG1-CD1 4.47Å; I104-I491 HydrophobicContact CG2-CB 4.02Å; I104-I491 HydrophobicContact CG2-CD1 4Å; I104-I491 HydrophobicContact CG2-CG2 3.92Å; R105-I491 HydrophobicContact CB-CG2 3.94Å; E488-I491 PolarHBondContact O-N 3.32Å; E488-I491 VanDerWaalsContact O-N 3.09Å; I491-I493 PolarHBondContact O-N 2.91Å |
| 492 | D | 93 | Very high | 82.4 | Confident | 111 Ų | 111 | 81.7 Ų | 81.7 | 59% | 0.594 | 41% | 0.412 | S | S | * | . | trans | -62.7 | 130.3 | 177.2 | -52.5 | -45.4 | 0 | 0 | 0 | 110.1 | R105 | R105-D492 VanDerWaalsContact CG-O 3.29Å; R105-D492 WeakPolarHBondContact CG-O 3.38Å; R105-D492 IonicContact NH1-OD2 2.74Å | ||
| 493 | I | 93 | Very high | 80.3 | Confident | 89 Ų | 89 | 90.7 Ų | 90.7 | 46% | 0.456 | 45% | 0.446 | S | S | . | . | trans | -82.4 | 124.5 | 173.3 | -56.2 | -50.5 | 0 | 0 | 0 | 109.2 | I104 Q107 I491 P495 | I104-I493 HydrophobicContact CG2-CD1 4.12Å; I104-I493 WeakPolarHBondContact O-CD1 3.36Å; Q107-I493 HydrophobicContact CG-CD1 4.5Å; Q107-I493 HydrophobicContact CG-CG2 3.72Å; Q107-I493 VanDerWaalsContact NE2-CD1 3.35Å; I491-I493 PolarHBondContact O-N 2.91Å; I493-P495 VanDerWaalsContact O-CD 3.27Å; I493-P495 WeakPolarHBondContact O-CD 3.48Å | ||
| 494 | M | 85.4 | Confident | 78.3 | Confident | 37 Ų | 37 | 91.7 Ų | 91.7 | 18% | 0.182 | 45% | 0.447 | C | S | . | . | trans | -78.7 | 112.6 | 178.5 | -176.9 | 71.8 | -163.5 | 0 | 0 | 109.3 | R48 R105 | R48-M494 PolarHBondContact NH1-O 3.21Å; R48-M494 VanDerWaalsContact NH2-CB 3.32Å; R48-M494 PolarHBondContact NH2-O 3.08Å; R48-M494 VanDerWaalsContact NH2-O 3.16Å; R105-M494 HydrophobicContact CG-CB 4.05Å; R105-M494 WeakPolarHBondContact O-CB 3.41Å; R105-M494 PolarHBondContact O-N 3.37Å | ||
| 495 | P | 76.9 | Confident | 75.8 | Confident | 46 Ų | 46 | 85.4 Ų | 85.4 | 30% | 0.299 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 152.7 | -179.7 | 25 | -35.2 | 0 | 0 | 0 | 111.9 | L6 R48 I493 L497 | L6-P495 HydrophobicContact CB-CB 3.69Å; L6-P495 HydrophobicContact CB-CG 4.32Å; L6-P495 HydrophobicContact CD1-CB 4.48Å; L6-P495 HydrophobicContact CD1-CG 4.22Å; L6-P495 HydrophobicContact CD2-CB 3.69Å; L6-P495 HydrophobicContact CD2-CG 3.61Å; L6-P495 HydrophobicContact CG-CB 4.13Å; L6-P495 HydrophobicContact CG-CG 4.26Å; R48-P495 PolarHBondContact NH1-O 3.28Å; I493-P495 VanDerWaalsContact O-CD 3.27Å; I493-P495 WeakPolarHBondContact O-CD 3.48Å; P495-L497 PolarHBondContact O-N 3.04Å |
| 496 | S | 66.5 | Low | 73.5 | Confident | 35 Ų | 35 | 83.9 Ų | 83.9 | 25% | 0.245 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -64 | 133.3 | 174.9 | 49.6 | 0 | 0 | 0 | 0 | 110 | S8 | S8-S496 PolarHBondContact OG-OG 2.71Å; S8-S496 VanDerWaalsContact OG-OG 3.11Å |
| 497 | L | 65.1 | Low | 71 | Confident | 99 Ų | 99 | 81.6 Ų | 81.6 | 52% | 0.518 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -96 | 119 | 164.3 | -69.2 | 168.4 | 0 | 0 | 0 | 106.8 | Y5 L6 P495 T499 | Y5-L497 HydrophobicContact CD2-CD2 4.32Å; Y5-L497 HydrophobicContact CE2-CD2 4.09Å; L6-L497 HydrophobicContact CD2-CD2 4.4Å; P495-L497 PolarHBondContact O-N 3.04Å; L497-T499 PolarHBondContact O-N 3.29Å |
| 498 | E | 59.2 | Low | 68.5 | Low | 109 Ų | 109 | 86.1 Ų | 86.1 | 51% | 0.509 | 44% | 0.442 | S | S | . | . | trans | -68.9 | 114.8 | 172.7 | -69.2 | -164.1 | 142.6 | 0 | 0 | 109.7 | S8 | S8-E498 WeakPolarHBondContact CB-OE1 3.43Š| ||
| 499 | T | 62.4 | Low | 66.2 | Low | 54 Ų | 54 | 82.8 Ų | 82.8 | 33% | 0.331 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -93.7 | 139.9 | 166.1 | 48.9 | 0 | 0 | 0 | 0 | 109.8 | I43 L497 I501 | I43-T499 HydrophobicContact CG2-CG2 4.15Å; L497-T499 PolarHBondContact O-N 3.29Å; T499-I501 PolarHBondContact O-N 3.37Å |
| 500 | P | 58.8 | Low | 63.4 | Low | 113 Ų | 113 | 78.8 Ų | 78.8 | 73% | 0.734 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -54 | 124.7 | 173.5 | -23 | 32.1 | 0 | 0 | 0 | 110.8 | ||
| 501 | I | 60.1 | Low | 60.4 | Low | 55 Ų | 55 | 79.9 Ų | 79.9 | 28% | 0.282 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 126.7 | 175.1 | -59.5 | 174.5 | 0 | 0 | 0 | 107.3 | T499 | T499-I501 PolarHBondContact O-N 3.37Š|
| 502 | E | 63.8 | Low | 57.7 | Low | 76 Ų | 76 | 86.3 Ų | 86.3 | 36% | 0.355 | 45% | 0.448 | S | S | . | . | trans | -102.4 | 111.6 | 173.3 | -68 | -174.1 | -126.7 | 0 | 0 | 108.3 | R44 R71 F504 | R44-E502 IonicContact CZ-OE1 2.81Å; R44-E502 IonicContact CZ-OE2 2.66Å; R44-E502 IonicContact NH1-OE1 2.68Å; R44-E502 PolarHBondContact NH1-OE1 2.87Å; R44-E502 IonicContact NH1-OE2 3.55Å; R44-E502 PolarHBondContact NH1-OE2 2.87Å; R44-E502 VanDerWaalsContact NH2-CB 3.3Å; R44-E502 IonicContact NH2-OE2 3.34Å; R44-E502 PolarHBondContact NH2-OE2 2.86Å; R44-E502 PolarHBondContact O-N 3.41Å; R71-E502 IonicContact CZ-OE1 3.5Å; R71-E502 IonicContact NH1-OE1 2.69Å; R71-E502 PolarHBondContact NH1-OE1 3.39Å; R71-E502 IonicContact NH2-OE1 2.91Å; E502-F504 PolarHBondContact O-N 2.6Å | ||
| 503 | Y | 51.4 | Low | 54.9 | Low | 207 Ų | 207 | 85 Ų | 85 | 81% | 0.812 | 45% | 0.448 | S | S | * | . | trans | -71.5 | 107.6 | 169.8 | -70 | -84.7 | 0 | 0 | 0 | 107.8 | S505 | Y503-S505 PolarHBondContact O-N 3.17Š| ||
| 504 | F | 52.6 | Low | 52 | Low | 56 Ų | 56 | 86 Ų | 86 | 25% | 0.246 | 46% | 0.458 | C | S | . | . | trans | -69.8 | 123.2 | 158.3 | -70.1 | -81.4 | 0 | 0 | 0 | 106.7 | R44 P429 E502 D506 | R44-F504 HydrophobicContact CB-CE2 4.49Å; P429-F504 HydrophobicContact CB-CD2 4.32Å; P429-F504 HydrophobicContact CB-CE2 4.16Å; P429-F504 HydrophobicContact CB-CZ 4.26Å; P429-F504 HydrophobicContact CG-CE1 3.99Å; P429-F504 HydrophobicContact CG-CE2 4.08Å; P429-F504 HydrophobicContact CG-CZ 3.71Å; E502-F504 PolarHBondContact O-N 2.6Å; F504-D506 PolarHBondContact O-N 3.01Å | ||
| 505 | S | 44.3 | Very low | 49.3 | Very low | 60 Ų | 60 | 91.8 Ų | 91.8 | 42% | 0.42 | 49% | 0.489 | S | S | . | . | trans | -64 | 129.6 | 164.2 | 59.7 | 0 | 0 | 0 | 0 | 106.9 | Y503 S507 E508 | Y503-S505 PolarHBondContact O-N 3.17Å; S505-S507 WeakPolarHBondContact CB-OG 3.42Å; S505-S507 PolarHBondContact O-N 2.96Å; S505-S507 PolarHBondContact OG-OG 3.35Å; S505-E508 PolarHBondContact O-N 3.42Å; S505-E508 VanDerWaalsContact O-N 3.09Å | ||
| 506 | D | 45.4 | Very low | 47.2 | Very low | 81 Ų | 81 | 93.3 Ų | 93.3 | 43% | 0.433 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -24.8 | 175.1 | -79.8 | -34 | 0 | 0 | 0 | 110.5 | K433 F504 E508 C509 E510 | K433-D506 IonicContact NZ-OD1 2.64Å; K433-D506 PolarHBondContact NZ-OD1 3.14Å; K433-D506 IonicContact NZ-OD2 3.54Å; K433-D506 PolarHBondContact NZ-OD2 3.31Å; F504-D506 PolarHBondContact O-N 3.01Å; D506-E508 VanDerWaalsContact C-N 3.33Å; D506-E508 PolarHBondContact O-N 3.32Å; D506-C509 PolarHBondContact O-N 2.93Å; D506-C509 VanDerWaalsContact O-N 3.11Å; D506-E510 HydrophobicContact CB-CG 4.3Å; D506-E510 WeakPolarHBondContact O-CB 3.45Å; D506-E510 WeakPolarHBondContact O-CG 3.49Å; D506-E510 PolarHBondContact O-N 3.07Å |
| 507 | S | 43.3 | Very low | 45.4 | Very low | 56 Ų | 56 | 100.1 Ų | 100.1 | 39% | 0.392 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -56.3 | -33.9 | 174.4 | 68.4 | 0 | 0 | 0 | 0 | 115.1 | S505 C509 D511 | S505-S507 WeakPolarHBondContact CB-OG 3.42Å; S505-S507 PolarHBondContact O-N 2.96Å; S505-S507 PolarHBondContact OG-OG 3.35Å; S507-C509 PolarHBondContact O-N 2.94Å; S507-D511 WeakPolarHBondContact O-CB 3.49Å; S507-D511 PolarHBondContact O-N 3.28Å |
| 508 | E | 43.9 | Very low | 43.7 | Very low | 132 Ų | 132 | 108.1 Ų | 108.1 | 62% | 0.617 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69 | -16.3 | 179.8 | -75.3 | -172.2 | 171.1 | 0 | 0 | 113.2 | S505 D506 | S505-E508 PolarHBondContact O-N 3.42Å; S505-E508 VanDerWaalsContact O-N 3.09Å; D506-E508 VanDerWaalsContact C-N 3.33Å; D506-E508 PolarHBondContact O-N 3.32Å |
| 509 | C | 43.2 | Very low | 42.9 | Very low | 43 Ų | 43 | 108.1 Ų | 108.1 | 29% | 0.291 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -116.1 | -25 | 176.1 | -65.3 | 0 | 0 | 0 | 0 | 113.3 | D506 S507 | D506-C509 PolarHBondContact O-N 2.93Å; D506-C509 VanDerWaalsContact O-N 3.11Å; S507-C509 PolarHBondContact O-N 2.94Å |
| 510 | E | 34.6 | Very low | 41.9 | Very low | 88 Ų | 88 | 110.9 Ų | 110.9 | 41% | 0.411 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -95 | -5.7 | -174.3 | -70.5 | -176.6 | -179.1 | 0 | 0 | 114.9 | K433 D506 F512 S513 | K433-E510 IonicContact NZ-OE1 2.82Å; D506-E510 HydrophobicContact CB-CG 4.3Å; D506-E510 WeakPolarHBondContact O-CB 3.45Å; D506-E510 WeakPolarHBondContact O-CG 3.49Å; D506-E510 PolarHBondContact O-N 3.07Å; E510-F512 PolarHBondContact O-N 2.65Å; E510-S513 PolarHBondContact O-N 3.22Å |
| 511 | D | 31.8 | Very low | 40.9 | Very low | 123 Ų | 123 | 110.8 Ų | 110.8 | 66% | 0.658 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | 15.6 | 177.6 | -85.8 | -2.3 | 0 | 0 | 0 | 115 | S507 | S507-D511 WeakPolarHBondContact O-CB 3.49Å; S507-D511 PolarHBondContact O-N 3.28Å |
| 512 | F | 37.9 | Very low | 39.8 | Very low | 143 Ų | 143 | 114.1 Ų | 114.1 | 63% | 0.627 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.3 | 1.8 | 172.5 | -71.5 | -79.5 | 0 | 0 | 0 | 115.6 | E510 | E510-F512 PolarHBondContact O-N 2.65Š|
| 513 | S | 33.8 | Very low | 38.3 | Very low | 83 Ų | 83 | 116.5 Ų | 116.5 | 58% | 0.58 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -105.9 | 0 | 177.2 | 69.5 | 0 | 0 | 0 | 0 | 116 | E510 | E510-S513 PolarHBondContact O-N 3.22Š|
| 514 | V | 31.2 | Very low | 37.4 | Very low | 111 Ų | 111 | 110.5 Ų | 110.5 | 67% | 0.673 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -119.6 | -16.6 | -173.4 | -171.7 | 0 | 0 | 0 | 0 | 115.2 | S516 | V514-S516 PolarHBondContact O-N 3.36Š|
| 515 | D | 29.3 | Very low | 36.3 | Very low | 157 Ų | 157 | 114.4 Ų | 114.4 | 84% | 0.84 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -95.9 | 34.2 | 178.1 | -79.9 | -15.5 | 0 | 0 | 0 | 114 | ||
| 516 | S | 32.8 | Very low | 35.7 | Very low | 79 Ų | 79 | 118.5 Ų | 118.5 | 55% | 0.552 | 62% | 0.62 | S | S | * | * | trans | -105.7 | 20.1 | 175.2 | 72.8 | 0 | 0 | 0 | 0 | 114.5 | V514 | V514-S516 PolarHBondContact O-N 3.36Š| ||
| 517 | H | 28.9 | Very low | 34.9 | Very low | 177 Ų | 177 | 121.7 Ų | 121.7 | 82% | 0.819 | 64% | 0.635 | S | S | * | * | trans | -138.2 | 70.2 | 171.1 | -78.5 | -44.5 | 0 | 0 | 0 | 111.4 | ||||
| 518 | K | 28.4 | Very low | 34.1 | Very low | 268 Ų | 268 | 127.6 Ų | 127.6 | 100% | 1.165 | 66% | 0.658 | S | S | * | * | trans | -167.4 | 0 | 154 | -104 | 167.1 | -168.2 | 179.5 | 0 | 108.5 |
Retrieved 518 of 518 residues in 421.9 ms
(Link to these results)