| 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 | 36.1 | Very low | 73.1 | Confident | 142 Ų | 142 | 108.3 Ų | 108.3 | 70% | 0.7 | 54% | 0.535 | S | S | * | . | 0 | 111.8 | 0 | -75.3 | 173.4 | -166.5 | 0 | 0 | 107.2 | E3 | M1-E3 PolarHBondContact O-N 3.38Š| |||
| 2 | N | 35.5 | Very low | 74.9 | Confident | 155 Ų | 155 | 103.8 Ų | 103.8 | 83% | 0.829 | 52% | 0.519 | S | S | * | . | trans | -53.7 | 131.5 | 166.6 | -84.9 | -7.9 | 0 | 0 | 0 | 108.2 | Q4 | N2-Q4 PolarHBondContact O-N 3.37Š| ||
| 3 | E | 46.7 | Very low | 76.4 | Confident | 153 Ų | 153 | 95.8 Ų | 95.8 | 72% | 0.715 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 19 | -170.7 | -65.7 | -177.8 | 154.6 | 0 | 0 | 114.8 | M1 | M1-E3 PolarHBondContact O-N 3.38Š|
| 4 | Q | 57.3 | Low | 77.5 | Confident | 176 Ų | 176 | 97.7 Ų | 97.7 | 82% | 0.822 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.4 | -5.3 | -172.1 | -83.1 | -175.1 | -18.7 | 0 | 0 | 116.6 | N2 | N2-Q4 PolarHBondContact O-N 3.37Š|
| 5 | N | 74.5 | Confident | 78.3 | Confident | 149 Ų | 149 | 91.7 Ų | 91.7 | 80% | 0.797 | 46% | 0.463 | S | S | * | . | trans | -144.5 | 102.2 | 171.5 | -82 | -34.8 | 0 | 0 | 0 | 111 | ||||
| 6 | I | 85.3 | Confident | 79.1 | Confident | 50 Ų | 50 | 87.9 Ų | 87.9 | 26% | 0.256 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 125.8 | 166.5 | -58.2 | -155.9 | 0 | 0 | 0 | 107.5 | Y8 Q85 I96 I99 | I6-Y8 PolarHBondContact O-N 3.19Å; I6-Q85 HydrophobicContact CD1-CG 3.68Å; I6-Q85 VanDerWaalsContact CD1-NE2 3.26Å; I6-I96 HydrophobicContact CD1-CB 3.58Å; I6-I96 HydrophobicContact CD1-CG2 3.61Å; I6-I96 HydrophobicContact CG2-CG2 3.73Å; I6-I99 HydrophobicContact CB-CD1 4.25Å; I6-I99 HydrophobicContact CG2-CD1 3.89Å; I6-I99 HydrophobicContact CG2-CG1 3.86Å |
| 7 | P | 92.6 | Very high | 79.8 | Confident | 44 Ų | 44 | 90.1 Ų | 90.1 | 29% | 0.286 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 134.4 | -178.5 | 26.9 | -34.8 | 0 | 0 | 0 | 110.6 | F9 L29 Y97 G98 I99 | P7-F9 HydrophobicContact CB-CE1 4.5Å; P7-F9 HydrophobicContact CB-CE2 3.81Å; P7-F9 HydrophobicContact CB-CZ 3.7Å; P7-F9 HydrophobicContact CG-CE2 3.84Å; P7-F9 HydrophobicContact CG-CZ 3.92Å; P7-L29 HydrophobicContact CG-CD2 3.85Å; P7-Y97 VanDerWaalsContact CD-O 3.28Å; P7-Y97 WeakPolarHBondContact CD-O 3.38Å; P7-Y97 VanDerWaalsContact CG-O 3.27Å; P7-Y97 WeakPolarHBondContact CG-O 3.37Å; P7-G98 WeakPolarHBondContact O-CA 3.43Å; P7-I99 PolarHBondContact O-N 3.21Å |
| 8 | Y | 93.2 | Very high | 80.5 | Confident | 147 Ų | 147 | 86.5 Ų | 86.5 | 58% | 0.576 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 133.3 | 171.8 | 176.1 | -96.1 | 0 | 0 | 0 | 109.8 | I6 N10 I99 N101 | I6-Y8 PolarHBondContact O-N 3.19Å; Y8-N10 HydrophobicContact CE1-CB 4.42Å; Y8-I99 CarbonylContact C-O 3.59Å; Y8-I99 WeakPolarHBondContact CA-O 3.46Å; Y8-I99 HydrophobicContact CD2-CB 4.33Å; Y8-I99 HydrophobicContact CD2-CG2 4.01Å; Y8-I99 HydrophobicContact CE2-CG2 4.45Å; Y8-N101 PolarHBondContact OH-OD1 3.3Å |
| 9 | F | 94.7 | Very high | 81.1 | Confident | 31 Ų | 31 | 88.6 Ų | 88.6 | 14% | 0.136 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 122.1 | 178.4 | -56.7 | -80.7 | 0 | 0 | 0 | 109.4 | P7 L11 L25 L28 L29 I99 F100 | P7-F9 HydrophobicContact CB-CE1 4.5Å; P7-F9 HydrophobicContact CB-CE2 3.81Å; P7-F9 HydrophobicContact CB-CZ 3.7Å; P7-F9 HydrophobicContact CG-CE2 3.84Å; P7-F9 HydrophobicContact CG-CZ 3.92Å; F9-L11 HydrophobicContact CB-CD1 4.2Å; F9-L11 HydrophobicContact CB-CG 4.31Å; F9-L11 PolarHBondContact O-N 3.03Å; F9-L25 HydrophobicContact CB-CD1 4.01Å; F9-L25 HydrophobicContact CD1-CD1 4.47Å; F9-L25 HydrophobicContact CD2-CD1 3.38Å; F9-L25 HydrophobicContact CE2-CD1 3.94Å; F9-L25 HydrophobicContact CG-CD1 3.69Å; F9-L28 HydrophobicContact CD1-CB 4.22Å; F9-L28 HydrophobicContact CD1-CD1 3.8Å; F9-L28 HydrophobicContact CE1-CB 3.65Å; F9-L28 HydrophobicContact CE1-CD1 4.06Å; F9-L28 HydrophobicContact CE1-CG 4.37Å; F9-L28 HydrophobicContact CZ-CB 4.23Å; F9-L29 HydrophobicContact CE2-CD1 4.27Å; F9-L29 HydrophobicContact CE2-CD2 3.52Å; F9-L29 HydrophobicContact CE2-CG 3.69Å; F9-L29 HydrophobicContact CZ-CD2 3.68Å; F9-L29 HydrophobicContact CZ-CG 3.82Å; F9-I99 WeakPolarHBondContact CD2-O 3.14Å; F9-I99 PolarHBondContact N-O 3.39Å; F9-F100 HydrophobicContact CB-CB 4.49Å; F9-F100 VanDerWaalsContact O-CA 3.31Å; F9-F100 WeakPolarHBondContact O-CA 3.42Å |
| 10 | N | 94.8 | Very high | 81.6 | Confident | 128 Ų | 128 | 89.6 Ų | 89.6 | 68% | 0.684 | 45% | 0.453 | S | S | * | . | trans | -73.4 | 73.5 | 171.4 | -174.5 | 16.6 | 0 | 0 | 0 | 110.1 | Y8 N101 | Y8-N10 HydrophobicContact CE1-CB 4.42Å; N10-N101 PolarHBondContact OD1-ND2 2.97Å; N10-N101 PolarHBondContact OD1-OD1 3.42Å | ||
| 11 | L | 93.9 | Very high | 82.3 | Confident | 16 Ų | 16 | 87.2 Ų | 87.2 | 8% | 0.084 | 44% | 0.442 | C | S | . | . | trans | -138.1 | 142 | 178.9 | -66.9 | 174.9 | 0 | 0 | 0 | 108.2 | F9 K24 L25 L28 F100 N101 | F9-L11 HydrophobicContact CB-CD1 4.2Å; F9-L11 HydrophobicContact CB-CG 4.31Å; F9-L11 PolarHBondContact O-N 3.03Å; L11-K24 HydrophobicContact CD1-CD 4.31Å; L11-K24 HydrophobicContact CD1-CG 4.29Å; L11-K24 HydrophobicContact CD2-CD 3.98Å; L11-L25 HydrophobicContact CD1-CB 4.09Å; L11-L25 HydrophobicContact CD1-CD1 4.41Å; L11-L28 HydrophobicContact CD1-CD1 4.33Å; L11-F100 WeakPolarHBondContact O-CB 3.41Å; L11-N101 VanDerWaalsContact O-CB 3.23Å; L11-N101 WeakPolarHBondContact O-CB 3.46Å; L11-N101 VanDerWaalsContact O-CG 3.27Å; L11-N101 PolarHBondContact O-N 3.49Å; L11-N101 PolarHBondContact O-ND2 2.82Å | ||
| 12 | T | 94.7 | Very high | 85 | Confident | 55 Ų | 55 | 80.6 Ų | 80.6 | 34% | 0.337 | 41% | 0.409 | S | S | . | . | trans | -115.8 | 127.4 | 171.7 | -58.3 | 0 | 0 | 0 | 0 | 107.4 | N21 N101 N102 | T12-N21 PolarHBondContact O-ND2 3Å; T12-N101 WeakPolarHBondContact OG1-CB 3.48Å; T12-N101 PolarHBondContact OG1-ND2 2.87Å; T12-N101 VanDerWaalsContact OG1-ND2 3.11Å; T12-N102 WeakPolarHBondContact CA-OD1 3.13Å | ||
| 13 | I | 93.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 38% | 0.384 | C | S | . | . | trans | -102.2 | 118.8 | 178.1 | -62.4 | -179.6 | 0 | 0 | 0 | 108.9 | G15 D18 N21 I22 L25 I64 I66 F100 N102 | I13-G15 VanDerWaalsContact C-N 3.32Å; I13-G15 PolarHBondContact O-N 2.9Å; I13-D18 HydrophobicContact CG2-CB 4.28Å; I13-N21 HydrophobicContact CG1-CB 4.25Å; I13-I22 HydrophobicContact CD1-CG1 4.12Å; I13-I22 HydrophobicContact CG2-CD1 4.19Å; I13-I22 HydrophobicContact CG2-CG1 3.81Å; I13-L25 HydrophobicContact CD1-CD2 3.48Å; I13-L25 VanDerWaalsContact CD1-CD2 3.48Å; I13-I64 HydrophobicContact CD1-CD1 4.31Å; I13-I64 HydrophobicContact CD1-CG2 4.02Å; I13-I66 HydrophobicContact CB-CD1 4.14Å; I13-I66 HydrophobicContact CB-CG1 4.47Å; I13-I66 HydrophobicContact CG2-CD1 3.6Å; I13-I66 HydrophobicContact CG2-CG1 4.37Å; I13-F100 HydrophobicContact CB-CE2 4.16Å; I13-F100 HydrophobicContact CD1-CD2 4.42Å; I13-F100 HydrophobicContact CD1-CE1 4.29Å; I13-F100 HydrophobicContact CD1-CE2 4.13Å; I13-F100 HydrophobicContact CD1-CZ 4.06Å; I13-F100 HydrophobicContact CG1-CD2 4.31Å; I13-F100 HydrophobicContact CG1-CE2 4.16Å; I13-N102 PolarHBondContact N-OD1 3.19Å; I13-N102 PolarHBondContact O-ND2 2.86Å | ||
| 14 | N | 92 | Very high | 90 | Very high | 122 Ų | 122 | 74.2 Ų | 74.2 | 65% | 0.652 | 37% | 0.373 | S | S | * | . | trans | -95.5 | 53.1 | -178.7 | -57.9 | -64.1 | 0 | 0 | 0 | 111.9 | D18 | N14-D18 HydrophobicContact CB-CB 4.47Å; N14-D18 PolarHBondContact N-OD2 3.18Å; N14-D18 VanDerWaalsContact N-OD2 3.08Å; N14-D18 PolarHBondContact ND2-OD2 3.08Å | ||
| 15 | G | 89.6 | Confident | 91.7 | Very high | 7 Ų | 7 | 65.9 Ų | 65.9 | 7% | 0.072 | 33% | 0.334 | C | S | . | . | S | Bend | trans | 78.1 | -171.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | I13 N17 D18 Q50 | I13-G15 VanDerWaalsContact C-N 3.32Å; I13-G15 PolarHBondContact O-N 2.9Å; G15-N17 VanDerWaalsContact C-N 3.25Å; G15-N17 PolarHBondContact O-N 2.74Å; G15-D18 WeakPolarHBondContact O-CB 3.48Å; G15-D18 PolarHBondContact O-N 3.45Å; G15-D18 VanDerWaalsContact O-N 3.14Å; G15-Q50 VanDerWaalsContact CA-OE1 3.25Å |
| 16 | I | 90.4 | Very high | 92.7 | Very high | 32 Ų | 32 | 58.8 Ų | 58.8 | 16% | 0.164 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -27.1 | -171.1 | -170.2 | 165.6 | 0 | 0 | 0 | 114.5 | D18 A40 V42 I52 | I16-D18 PolarHBondContact O-N 3.25Å; I16-A40 HydrophobicContact CD1-CB 4.21Å; I16-A40 HydrophobicContact CG1-CB 4.21Å; I16-V42 HydrophobicContact CB-CG2 3.67Å; I16-V42 HydrophobicContact CD1-CB 4.49Å; I16-V42 HydrophobicContact CD1-CG2 3.44Å; I16-V42 VanDerWaalsContact CD1-CG2 3.44Å; I16-V42 HydrophobicContact CG1-CG2 4.12Å; I16-V42 HydrophobicContact CG2-CG2 3.63Å; I16-I52 HydrophobicContact CB-CD1 4.15Å; I16-I52 HydrophobicContact CB-CG1 4.47Å; I16-I52 HydrophobicContact CD1-CG2 4.5Å; I16-I52 HydrophobicContact CG1-CG2 4.47Å |
| 17 | N | 91.7 | Very high | 93 | Very high | 125 Ų | 125 | 58.8 Ų | 58.8 | 67% | 0.668 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -9.2 | -178.9 | -63.1 | -30 | 0 | 0 | 0 | 112.7 | G15 Y19 | G15-N17 VanDerWaalsContact C-N 3.25Å; G15-N17 PolarHBondContact O-N 2.74Å; N17-Y19 WeakPolarHBondContact O-CD2 3.35Å; N17-Y19 PolarHBondContact O-N 2.96Å |
| 18 | D | 92.4 | Very high | 93.1 | Very high | 25 Ų | 25 | 61.1 Ų | 61.1 | 13% | 0.134 | 31% | 0.306 | C | S | . | . | trans | -81.6 | 57.1 | 175.8 | -164.1 | -8.7 | 0 | 0 | 0 | 111.5 | I13 N14 G15 I16 V20 N21 I22 | I13-D18 HydrophobicContact CG2-CB 4.28Å; N14-D18 HydrophobicContact CB-CB 4.47Å; N14-D18 PolarHBondContact N-OD2 3.18Å; N14-D18 VanDerWaalsContact N-OD2 3.08Å; N14-D18 PolarHBondContact ND2-OD2 3.08Å; G15-D18 WeakPolarHBondContact O-CB 3.48Å; G15-D18 PolarHBondContact O-N 3.45Å; G15-D18 VanDerWaalsContact O-N 3.14Å; I16-D18 PolarHBondContact O-N 3.25Å; D18-V20 PolarHBondContact O-N 3Å; D18-N21 VanDerWaalsContact CG-ND2 3.3Å; D18-N21 PolarHBondContact O-N 3.48Å; D18-N21 WeakPolarHBondContact OD1-CB 3.32Å; D18-N21 PolarHBondContact OD1-N 3.5Å; D18-N21 PolarHBondContact OD1-ND2 3.28Å; D18-N21 PolarHBondContact OD2-ND2 3.46Å; D18-I22 WeakPolarHBondContact O-CB 3.4Å; D18-I22 VanDerWaalsContact O-CG1 3.31Å; D18-I22 WeakPolarHBondContact O-CG1 3.41Å; D18-I22 PolarHBondContact O-N 3.32Å | ||
| 19 | Y | 91.3 | Very high | 93.1 | Very high | 126 Ų | 126 | 54.7 Ų | 54.7 | 49% | 0.494 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.8 | -35.9 | -175.4 | -64.1 | -75.5 | 0 | 0 | 0 | 112.5 | N17 Q23 | N17-Y19 WeakPolarHBondContact O-CD2 3.35Å; N17-Y19 PolarHBondContact O-N 2.96Å; Y19-Q23 VanDerWaalsContact O-CB 3.32Å; Y19-Q23 WeakPolarHBondContact O-CB 3.19Å; Y19-Q23 VanDerWaalsContact O-CG 3.25Å; Y19-Q23 WeakPolarHBondContact O-CG 3.44Å; Y19-Q23 PolarHBondContact O-N 3.36Å |
| 20 | V | 92.4 | Very high | 92.9 | Very high | 108 Ų | 108 | 55 Ų | 55 | 66% | 0.655 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.8 | -50.6 | -178.5 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | D18 K24 | D18-V20 PolarHBondContact O-N 3Å; V20-K24 VanDerWaalsContact O-CB 3.23Å; V20-K24 WeakPolarHBondContact O-CB 3.32Å; V20-K24 PolarHBondContact O-N 3.31Å |
| 21 | N | 94.5 | Very high | 92.8 | Very high | 40 Ų | 40 | 54 Ų | 54 | 21% | 0.214 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.6 | -35.5 | 179.5 | -70.2 | -41.7 | 0 | 0 | 0 | 112 | T12 I13 D18 K24 L25 | T12-N21 PolarHBondContact O-ND2 3Å; I13-N21 HydrophobicContact CG1-CB 4.25Å; D18-N21 VanDerWaalsContact CG-ND2 3.3Å; D18-N21 PolarHBondContact O-N 3.48Å; D18-N21 WeakPolarHBondContact OD1-CB 3.32Å; D18-N21 PolarHBondContact OD1-N 3.5Å; D18-N21 PolarHBondContact OD1-ND2 3.28Å; D18-N21 PolarHBondContact OD2-ND2 3.46Å; N21-K24 PolarHBondContact O-N 2.86Å; N21-L25 VanDerWaalsContact O-CB 3.27Å; N21-L25 WeakPolarHBondContact O-CB 3.47Å; N21-L25 PolarHBondContact O-N 3.47Å |
| 22 | I | 94 | Very high | 92.5 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.015 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.3 | -53.4 | 174.5 | -71.1 | 167 | 0 | 0 | 0 | 110.6 | I13 D18 K24 L25 I26 I52 I54 I64 | I13-I22 HydrophobicContact CD1-CG1 4.12Å; I13-I22 HydrophobicContact CG2-CD1 4.19Å; I13-I22 HydrophobicContact CG2-CG1 3.81Å; D18-I22 WeakPolarHBondContact O-CB 3.4Å; D18-I22 VanDerWaalsContact O-CG1 3.31Å; D18-I22 WeakPolarHBondContact O-CG1 3.41Å; D18-I22 PolarHBondContact O-N 3.32Å; I22-K24 VanDerWaalsContact C-N 3.34Å; I22-K24 PolarHBondContact O-N 3.4Å; I22-L25 PolarHBondContact O-N 3.5Å; I22-I26 HydrophobicContact CG2-CG1 4.45Å; I22-I26 VanDerWaalsContact O-CG1 3.27Å; I22-I26 WeakPolarHBondContact O-CG1 3.32Å; I22-I26 PolarHBondContact O-N 2.99Å; I22-I52 HydrophobicContact CD1-CD1 4.02Å; I22-I54 HydrophobicContact CG2-CD1 3.77Å; I22-I64 HydrophobicContact CG1-CD1 4.21Å; I22-I64 HydrophobicContact CG2-CD1 3.94Å |
| 23 | Q | 92.2 | Very high | 92.3 | Very high | 64 Ų | 64 | 60 Ų | 60 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 179.6 | -73.3 | 176.1 | -8.2 | 0 | 0 | 111.4 | Y19 L25 I26 L27 I35 I38 | Y19-Q23 VanDerWaalsContact O-CB 3.32Å; Y19-Q23 WeakPolarHBondContact O-CB 3.19Å; Y19-Q23 VanDerWaalsContact O-CG 3.25Å; Y19-Q23 WeakPolarHBondContact O-CG 3.44Å; Y19-Q23 PolarHBondContact O-N 3.36Å; Q23-L25 PolarHBondContact O-N 2.96Å; Q23-I26 PolarHBondContact O-N 3.45Å; Q23-L27 WeakPolarHBondContact O-CB 3.46Å; Q23-L27 VanDerWaalsContact O-CG 3.29Å; Q23-L27 WeakPolarHBondContact O-CG 2.92Å; Q23-L27 PolarHBondContact O-N 3.44Å; Q23-I35 HydrophobicContact CG-CG2 4.45Å; Q23-I38 HydrophobicContact CG-CD1 4.46Å |
| 24 | K | 93.9 | Very high | 91.9 | Very high | 111 Ų | 111 | 64.7 Ų | 64.7 | 48% | 0.483 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.3 | -48.6 | 176.6 | -176.6 | 177.6 | 178.2 | -177.4 | 0 | 111.6 | L11 V20 N21 I22 I26 L27 L28 | L11-K24 HydrophobicContact CD1-CD 4.31Å; L11-K24 HydrophobicContact CD1-CG 4.29Å; L11-K24 HydrophobicContact CD2-CD 3.98Å; V20-K24 VanDerWaalsContact O-CB 3.23Å; V20-K24 WeakPolarHBondContact O-CB 3.32Å; V20-K24 PolarHBondContact O-N 3.31Å; N21-K24 PolarHBondContact O-N 2.86Å; I22-K24 VanDerWaalsContact C-N 3.34Å; I22-K24 PolarHBondContact O-N 3.4Å; K24-I26 PolarHBondContact O-N 2.89Å; K24-L27 PolarHBondContact O-N 2.85Å; K24-L28 HydrophobicContact CG-CD1 4.04Å; K24-L28 WeakPolarHBondContact O-CB 3.36Å; K24-L28 WeakPolarHBondContact O-CG 3.4Å; K24-L28 PolarHBondContact O-N 3.27Å |
| 25 | L | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 178.4 | 178.1 | 61.6 | 0 | 0 | 0 | 111.6 | F9 L11 I13 N21 I22 Q23 L28 L29 F100 V105 | F9-L25 HydrophobicContact CB-CD1 4.01Å; F9-L25 HydrophobicContact CD1-CD1 4.47Å; F9-L25 HydrophobicContact CD2-CD1 3.38Å; F9-L25 HydrophobicContact CE2-CD1 3.94Å; F9-L25 HydrophobicContact CG-CD1 3.69Å; L11-L25 HydrophobicContact CD1-CB 4.09Å; L11-L25 HydrophobicContact CD1-CD1 4.41Å; I13-L25 HydrophobicContact CD1-CD2 3.48Å; I13-L25 VanDerWaalsContact CD1-CD2 3.48Å; N21-L25 VanDerWaalsContact O-CB 3.27Å; N21-L25 WeakPolarHBondContact O-CB 3.47Å; N21-L25 PolarHBondContact O-N 3.47Å; I22-L25 PolarHBondContact O-N 3.5Å; Q23-L25 PolarHBondContact O-N 2.96Å; L25-L28 PolarHBondContact O-N 2.99Å; L25-L29 HydrophobicContact CD1-CD1 4.06Å; L25-L29 HydrophobicContact CD1-CG 4.49Å; L25-L29 HydrophobicContact CG-CD1 4.19Å; L25-L29 PolarHBondContact O-N 2.57Å; L25-F100 HydrophobicContact CD2-CD1 3.53Å; L25-F100 HydrophobicContact CD2-CE1 3.86Å; L25-F100 HydrophobicContact CD2-CG 4.17Å; L25-V105 HydrophobicContact CD2-CG2 3.52Å; L25-V105 HydrophobicContact CG-CG2 4.05Å |
| 26 | I | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66 | -42.9 | -178.8 | -65.7 | -62.7 | 0 | 0 | 0 | 111.7 | I22 Q23 K24 L28 L29 F30 Y33 I38 I54 L62 I64 V105 | I22-I26 HydrophobicContact CG2-CG1 4.45Å; I22-I26 VanDerWaalsContact O-CG1 3.27Å; I22-I26 WeakPolarHBondContact O-CG1 3.32Å; I22-I26 PolarHBondContact O-N 2.99Å; Q23-I26 PolarHBondContact O-N 3.45Å; K24-I26 PolarHBondContact O-N 2.89Å; I26-L28 VanDerWaalsContact C-N 3.34Å; I26-L28 PolarHBondContact O-N 3.05Å; I26-L29 PolarHBondContact O-N 2.98Å; I26-F30 WeakPolarHBondContact O-CA 3.38Å; I26-F30 PolarHBondContact O-N 3.47Å; I26-Y33 HydrophobicContact CG2-CD2 3.59Å; I26-Y33 HydrophobicContact CG2-CE2 4.27Å; I26-Y33 HydrophobicContact CG2-CG 4.34Å; I26-I38 HydrophobicContact CB-CD1 4.3Å; I26-I38 HydrophobicContact CG2-CD1 3.83Å; I26-I54 HydrophobicContact CD1-CB 4.43Å; I26-I54 HydrophobicContact CD1-CG1 4.13Å; I26-I54 HydrophobicContact CD1-CG2 4.2Å; I26-I54 HydrophobicContact CG1-CG1 4.42Å; I26-I54 HydrophobicContact CG1-CG2 4.23Å; I26-L62 HydrophobicContact CD1-CD1 3.98Å; I26-I64 HydrophobicContact CD1-CD1 4.35Å; I26-V105 HydrophobicContact CD1-CG1 4.43Å |
| 27 | L | 92.7 | Very high | 91.4 | Very high | 51 Ų | 51 | 71.4 Ų | 71.4 | 27% | 0.267 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.2 | -32.9 | 177.2 | -67.5 | 173.4 | 0 | 0 | 0 | 112.9 | Q23 K24 F30 P31 Y33 I35 | Q23-L27 WeakPolarHBondContact O-CB 3.46Å; Q23-L27 VanDerWaalsContact O-CG 3.29Å; Q23-L27 WeakPolarHBondContact O-CG 2.92Å; Q23-L27 PolarHBondContact O-N 3.44Å; K24-L27 PolarHBondContact O-N 2.85Å; L27-F30 CarbonylContact O-C 3.46Å; L27-P31 VanDerWaalsContact O-CA 3.26Å; L27-P31 WeakPolarHBondContact O-CA 3.3Å; L27-P31 WeakPolarHBondContact O-CG 3.27Å; L27-Y33 WeakPolarHBondContact CD2-O 3.21Å; L27-I35 HydrophobicContact CD1-CD1 3.71Å; L27-I35 HydrophobicContact CD1-CG1 3.68Å; L27-I35 HydrophobicContact CD2-CG1 4.08Å; L27-I35 HydrophobicContact CG-CG1 4.3Å |
| 28 | L | 93.7 | Very high | 91.2 | Very high | 92 Ų | 92 | 66.6 Ų | 66.6 | 48% | 0.482 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 174.1 | -74.8 | 169.7 | 0 | 0 | 0 | 111.7 | F9 L11 K24 L25 I26 | F9-L28 HydrophobicContact CD1-CB 4.22Å; F9-L28 HydrophobicContact CD1-CD1 3.8Å; F9-L28 HydrophobicContact CE1-CB 3.65Å; F9-L28 HydrophobicContact CE1-CD1 4.06Å; F9-L28 HydrophobicContact CE1-CG 4.37Å; F9-L28 HydrophobicContact CZ-CB 4.23Å; L11-L28 HydrophobicContact CD1-CD1 4.33Å; K24-L28 HydrophobicContact CG-CD1 4.04Å; K24-L28 WeakPolarHBondContact O-CB 3.36Å; K24-L28 WeakPolarHBondContact O-CG 3.4Å; K24-L28 PolarHBondContact O-N 3.27Å; L25-L28 PolarHBondContact O-N 2.99Å; I26-L28 VanDerWaalsContact C-N 3.34Å; I26-L28 PolarHBondContact O-N 3.05Å |
| 29 | L | 92.7 | Very high | 91.1 | Very high | 13 Ų | 13 | 69.5 Ų | 69.5 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -76 | -40.3 | 177.7 | -79.5 | 171.4 | 0 | 0 | 0 | 113 | P7 F9 L25 I26 Y97 V105 | P7-L29 HydrophobicContact CG-CD2 3.85Å; F9-L29 HydrophobicContact CE2-CD1 4.27Å; F9-L29 HydrophobicContact CE2-CD2 3.52Å; F9-L29 HydrophobicContact CE2-CG 3.69Å; F9-L29 HydrophobicContact CZ-CD2 3.68Å; F9-L29 HydrophobicContact CZ-CG 3.82Å; L25-L29 HydrophobicContact CD1-CD1 4.06Å; L25-L29 HydrophobicContact CD1-CG 4.49Å; L25-L29 HydrophobicContact CG-CD1 4.19Å; L25-L29 PolarHBondContact O-N 2.57Å; I26-L29 PolarHBondContact O-N 2.98Å; L29-Y97 WeakPolarHBondContact CD2-O 3.4Å; L29-V105 HydrophobicContact CD1-CB 3.75Å; L29-V105 HydrophobicContact CD1-CG1 4.02Å; L29-V105 HydrophobicContact CD1-CG2 3.68Å |
| 30 | F | 92.4 | Very high | 91.1 | Very high | 38 Ų | 38 | 64.8 Ų | 64.8 | 17% | 0.167 | 33% | 0.331 | C | S | . | . | trans | -133.2 | 77.2 | -173.7 | -57.2 | -80.4 | 0 | 0 | 0 | 110.5 | I26 L27 K32 Y33 L62 Y97 | I26-F30 WeakPolarHBondContact O-CA 3.38Å; I26-F30 PolarHBondContact O-N 3.47Å; L27-F30 CarbonylContact O-C 3.46Å; F30-K32 PolarHBondContact O-N 3.4Å; F30-Y33 HydrophobicContact CB-CD1 3.53Å; F30-Y33 HydrophobicContact CB-CD2 4.25Å; F30-Y33 HydrophobicContact CB-CE1 3.71Å; F30-Y33 HydrophobicContact CB-CE2 4.44Å; F30-Y33 HydrophobicContact CB-CG 3.82Å; F30-Y33 HydrophobicContact CD1-CE1 4.22Å; F30-Y33 HydrophobicContact CG-CD1 4.34Å; F30-Y33 HydrophobicContact CG-CE1 4.02Å; F30-Y33 WeakPolarHBondContact O-CB 3.48Å; F30-Y33 PolarHBondContact O-N 3.24Å; F30-L62 HydrophobicContact CD2-CD1 3.58Å; F30-L62 HydrophobicContact CE2-CD1 3.33Å; F30-L62 HydrophobicContact CE2-CD2 3.86Å; F30-L62 HydrophobicContact CE2-CG 4.25Å; F30-L62 HydrophobicContact CG-CD1 4.49Å; F30-L62 HydrophobicContact CZ-CD1 4.07Å; F30-L62 HydrophobicContact CZ-CD2 3.77Å; F30-Y97 HydrophobicContact CE2-CD2 4.24Å; F30-Y97 HydrophobicContact CE2-CG 4.27Å; F30-Y97 AromaticContact CZ-CD1 3.89Å; F30-Y97 HydrophobicContact CZ-CD1 3.89Å; F30-Y97 AromaticContact CZ-CD2 3.71Å; F30-Y97 HydrophobicContact CZ-CD2 3.71Å; F30-Y97 HydrophobicContact CZ-CE1 4.26Å; F30-Y97 HydrophobicContact CZ-CE2 4.07Å; F30-Y97 AromaticContact CZ-CG 3.6Å; F30-Y97 HydrophobicContact CZ-CG 3.6Å | ||
| 31 | P | 91.1 | Very high | 91.1 | Very high | 106 Ų | 106 | 65.9 Ų | 65.9 | 69% | 0.688 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -14.2 | -177.2 | -25.2 | 34.1 | 0 | 0 | 0 | 115.2 | L27 | L27-P31 VanDerWaalsContact O-CA 3.26Å; L27-P31 WeakPolarHBondContact O-CA 3.3Å; L27-P31 WeakPolarHBondContact O-CG 3.27Å |
| 32 | K | 89.1 | Confident | 90.9 | Very high | 179 Ų | 179 | 65.9 Ų | 65.9 | 78% | 0.778 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -15.8 | 176.7 | -63.5 | -174.3 | 179.1 | -176.3 | 0 | 113.4 | F30 | F30-K32 PolarHBondContact O-N 3.4Š|
| 33 | Y | 88.7 | Confident | 90.5 | Very high | 17 Ų | 17 | 67.8 Ų | 67.8 | 7% | 0.067 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -71.4 | 134.9 | -178.6 | -79.1 | 28.4 | 0 | 0 | 0 | 109.4 | I26 L27 F30 N56 H59 S60 L62 | I26-Y33 HydrophobicContact CG2-CD2 3.59Å; I26-Y33 HydrophobicContact CG2-CE2 4.27Å; I26-Y33 HydrophobicContact CG2-CG 4.34Å; L27-Y33 WeakPolarHBondContact CD2-O 3.21Å; F30-Y33 HydrophobicContact CB-CD1 3.53Å; F30-Y33 HydrophobicContact CB-CD2 4.25Å; F30-Y33 HydrophobicContact CB-CE1 3.71Å; F30-Y33 HydrophobicContact CB-CE2 4.44Å; F30-Y33 HydrophobicContact CB-CG 3.82Å; F30-Y33 HydrophobicContact CD1-CE1 4.22Å; F30-Y33 HydrophobicContact CG-CD1 4.34Å; F30-Y33 HydrophobicContact CG-CE1 4.02Å; F30-Y33 WeakPolarHBondContact O-CB 3.48Å; F30-Y33 PolarHBondContact O-N 3.24Å; Y33-N56 HydrophobicContact CD2-CB 3.39Å; Y33-N56 VanDerWaalsContact CD2-CG 3.41Å; Y33-N56 HydrophobicContact CE2-CB 3.43Å; Y33-N56 VanDerWaalsContact CE2-CB 3.43Å; Y33-N56 HydrophobicContact CG-CB 4.06Å; Y33-H59 HydrophobicContact CD1-CB 4.17Å; Y33-H59 AromaticContact CD1-CD2 3.31Å; Y33-H59 WeakPolarHBondContact CD1-CD2 3.36Å; Y33-H59 AromaticContact CD1-CG 3.89Å; Y33-H59 HydrophobicContact CE1-CB 3.35Å; Y33-H59 AromaticContact CE1-CD2 3.4Å; Y33-H59 VanDerWaalsContact CE1-CD2 3.4Å; Y33-H59 WeakPolarHBondContact CE1-CD2 3.31Å; Y33-H59 AromaticContact CE1-CG 3.45Å; Y33-H59 VanDerWaalsContact CE1-CG 3.45Å; Y33-H59 HydrophobicContact CE2-CB 4.45Å; Y33-H59 WeakPolarHBondContact OH-CB 3.48Å; Y33-S60 PolarHBondContact OH-O 2.61Å; Y33-L62 HydrophobicContact CE2-CD1 3.71Å |
| 34 | E | 86.1 | Confident | 89.4 | Confident | 100 Ų | 100 | 72 Ų | 72 | 47% | 0.467 | 36% | 0.363 | S | S | . | . | trans | -90.2 | 128.7 | 174.7 | -62.3 | -172.1 | 168 | 0 | 0 | 109.7 | K36 N37 I38 N56 | E34-K36 HydrophobicContact CB-CG 4.26Å; E34-K36 PolarHBondContact O-N 3.03Å; E34-K36 WeakPolarHBondContact OE2-CE 3.4Å; E34-K36 IonicContact OE2-NZ 3.29Å; E34-K36 PolarHBondContact OE2-NZ 2.6Å; E34-N37 PolarHBondContact O-N 3.45Å; E34-I38 PolarHBondContact O-N 2.87Å; E34-N56 PolarHBondContact O-ND2 2.59Å; E34-N56 VanDerWaalsContact O-ND2 3.11Å | ||
| 35 | I | 85.4 | Confident | 88 | Confident | 85 Ų | 85 | 72 Ų | 72 | 44% | 0.436 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -52 | -43.2 | -176.5 | -64 | 175.7 | 0 | 0 | 0 | 112 | Q23 L27 N37 I38 | Q23-I35 HydrophobicContact CG-CG2 4.45Å; L27-I35 HydrophobicContact CD1-CD1 3.71Å; L27-I35 HydrophobicContact CD1-CG1 3.68Å; L27-I35 HydrophobicContact CD2-CG1 4.08Å; L27-I35 HydrophobicContact CG-CG1 4.3Å; I35-N37 PolarHBondContact O-N 2.93Å; I35-N37 VanDerWaalsContact O-N 3.17Å; I35-I38 WeakPolarHBondContact O-CB 3.32Å; I35-I38 PolarHBondContact O-N 3.48Å |
| 36 | K | 87.6 | Confident | 86.6 | Confident | 164 Ų | 164 | 74.6 Ų | 74.6 | 71% | 0.713 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -62.3 | -20.7 | -179.2 | 61.6 | 172.3 | -169.2 | -155.4 | 0 | 113.8 | E34 | E34-K36 HydrophobicContact CB-CG 4.26Å; E34-K36 PolarHBondContact O-N 3.03Å; E34-K36 WeakPolarHBondContact OE2-CE 3.4Å; E34-K36 IonicContact OE2-NZ 3.29Å; E34-K36 PolarHBondContact OE2-NZ 2.6Å |
| 37 | N | 87.9 | Confident | 85.3 | Confident | 53 Ų | 53 | 79.3 Ų | 79.3 | 28% | 0.283 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -96.2 | -6.7 | 178.8 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | E34 I35 V39 D55 N56 D57 | E34-N37 PolarHBondContact O-N 3.45Å; I35-N37 PolarHBondContact O-N 2.93Å; I35-N37 VanDerWaalsContact O-N 3.17Å; N37-V39 PolarHBondContact O-N 3.36Å; N37-D55 VanDerWaalsContact O-O 3.05Å; N37-N56 VanDerWaalsContact C-ND2 3.34Å; N37-N56 WeakPolarHBondContact CB-ND2 3.42Å; N37-N56 WeakPolarHBondContact O-CA 3.43Å; N37-D57 PolarHBondContact ND2-O 3.39Å |
| 38 | I | 88.2 | Confident | 84.1 | Confident | 24 Ų | 24 | 77.1 Ų | 77.1 | 12% | 0.123 | 40% | 0.397 | C | S | . | . | trans | -74.5 | 110.1 | 178.9 | -61.6 | 178.8 | 0 | 0 | 0 | 109 | Q23 I26 E34 I35 I54 D55 N56 | Q23-I38 HydrophobicContact CG-CD1 4.46Å; I26-I38 HydrophobicContact CB-CD1 4.3Å; I26-I38 HydrophobicContact CG2-CD1 3.83Å; E34-I38 PolarHBondContact O-N 2.87Å; I35-I38 WeakPolarHBondContact O-CB 3.32Å; I35-I38 PolarHBondContact O-N 3.48Å; I38-I54 HydrophobicContact CG2-CG2 3.87Å; I38-D55 WeakPolarHBondContact CA-O 3.21Å; I38-N56 VanDerWaalsContact CG1-ND2 3.26Å; I38-N56 WeakPolarHBondContact CG1-ND2 3.33Å; I38-N56 PolarHBondContact N-ND2 3.31Å | ||
| 39 | V | 90.4 | Very high | 83.6 | Confident | 86 Ų | 86 | 73.5 Ų | 73.5 | 52% | 0.521 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.9 | 173.3 | -178.9 | 0 | 0 | 0 | 0 | 108.8 | N37 I54 D55 | N37-V39 PolarHBondContact O-N 3.36Å; V39-I54 WeakPolarHBondContact O-CA 3.23Å; V39-D55 HydrophobicContact CB-CB 4.37Å; V39-D55 PolarHBondContact N-O 3.34Å; V39-D55 PolarHBondContact O-N 2.95Å |
| 40 | A | 92 | Very high | 83.3 | Confident | 27 Ų | 27 | 76 Ų | 76 | 22% | 0.223 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 133.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I16 I52 R53 I54 | I16-A40 HydrophobicContact CD1-CB 4.21Å; I16-A40 HydrophobicContact CG1-CB 4.21Å; A40-I52 HydrophobicContact CB-CG2 3.95Å; A40-R53 CarbonylContact C-O 3.56Å; A40-R53 WeakPolarHBondContact CA-O 3.48Å; A40-I54 HydrophobicContact CB-CD1 3.72Å |
| 41 | K | 92 | Very high | 83.2 | Confident | 130 Ų | 130 | 75.1 Ų | 75.1 | 57% | 0.565 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 127.5 | 177.8 | -177.1 | 177.5 | 179.3 | 179.7 | 0 | 110.5 | L43 I52 R53 | K41-L43 PolarHBondContact O-N 3.11Å; K41-I52 CarbonylContact O-C 3.6Å; K41-I52 WeakPolarHBondContact O-CA 3.35Å; K41-R53 PolarHBondContact N-O 3.17Å; K41-R53 PolarHBondContact O-N 3.47Å |
| 42 | V | 89.6 | Confident | 83.3 | Confident | 41 Ų | 41 | 70 Ų | 70 | 25% | 0.248 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 132.3 | 172 | -172.9 | 0 | 0 | 0 | 0 | 109.2 | I16 N44 | I16-V42 HydrophobicContact CB-CG2 3.67Å; I16-V42 HydrophobicContact CD1-CB 4.49Å; I16-V42 HydrophobicContact CD1-CG2 3.44Å; I16-V42 VanDerWaalsContact CD1-CG2 3.44Å; I16-V42 HydrophobicContact CG1-CG2 4.12Å; I16-V42 HydrophobicContact CG2-CG2 3.63Å; V42-N44 VanDerWaalsContact CG1-OD1 3.3Å; V42-N44 WeakPolarHBondContact CG1-OD1 2.9Å |
| 43 | L | 85.3 | Confident | 83.5 | Confident | 43 Ų | 43 | 64.4 Ų | 64.4 | 23% | 0.225 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 108.7 | 166.5 | -55.3 | -175 | 0 | 0 | 0 | 107.6 | K41 K45 L51 R53 L63 Y108 | K41-L43 PolarHBondContact O-N 3.11Å; L43-K45 PolarHBondContact O-N 3.12Å; L43-L51 HydrophobicContact CB-CB 4.03Å; L43-L51 PolarHBondContact N-O 3.41Å; L43-R53 HydrophobicContact CD1-CB 4.19Å; L43-R53 HydrophobicContact CD2-CB 4.13Å; L43-R53 HydrophobicContact CG-CB 4.11Å; L43-L63 HydrophobicContact CD1-CD2 3.52Å; L43-Y108 HydrophobicContact CD1-CE2 4.49Å |
| 44 | N | 69.8 | Low | 83.7 | Confident | 152 Ų | 152 | 63.6 Ų | 63.6 | 81% | 0.813 | 32% | 0.324 | S | S | * | . | trans | -78.7 | 49.7 | 179.5 | -65.1 | -23.5 | 0 | 0 | 0 | 111.5 | V42 | V42-N44 VanDerWaalsContact CG1-OD1 3.3Å; V42-N44 WeakPolarHBondContact CG1-OD1 2.9Å | ||
| 45 | K | 64.7 | Low | 84 | Confident | 112 Ų | 112 | 60.6 Ų | 60.6 | 49% | 0.487 | 31% | 0.311 | S | S | . | . | trans | -127.2 | 114.3 | -177.2 | -61.3 | -169.1 | -179.9 | -167.8 | 0 | 108.9 | L43 D113 | L43-K45 PolarHBondContact O-N 3.12Å; K45-D113 WeakPolarHBondContact CD-OD2 3.43Å; K45-D113 WeakPolarHBondContact CE-OD2 3.46Å; K45-D113 IonicContact NZ-OD1 2.77Å; K45-D113 PolarHBondContact NZ-OD1 3.4Å; K45-D113 IonicContact NZ-OD2 3.74Å; K45-D113 PolarHBondContact NZ-OD2 3.28Å | ||
| 46 | G | 64.3 | Low | 84 | Confident | 53 Ų | 53 | 56.6 Ų | 56.6 | 55% | 0.546 | 29% | 0.291 | S | S | . | . | trans | 118.3 | 146.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 47 | Y | 67.6 | Low | 83.5 | Confident | 99 Ų | 99 | 55.1 Ų | 55.1 | 39% | 0.388 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -98.9 | -22 | 177.8 | -57.2 | -57.7 | 0 | 0 | 0 | 112.6 | S341 M342 | Y47-S341 WeakPolarHBondContact CD1-OG 3.43Å; Y47-M342 HydrophobicContact CD2-SD 4.17Å; Y47-M342 HydrophobicContact CE1-CB 4.33Å; Y47-M342 HydrophobicContact CE1-CG 4.48Å; Y47-M342 HydrophobicContact CE1-SD 4.32Å; Y47-M342 HydrophobicContact CE2-SD 3.62Å |
| 48 | S | 68.5 | Low | 83 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -91.9 | -28.8 | -170.7 | 47.9 | 0 | 0 | 0 | 0 | 113.5 | G68 T71 E243 | S48-G68 WeakPolarHBondContact O-CA 3.35Å; S48-G68 PolarHBondContact O-N 2.91Å; S48-T71 WeakPolarHBondContact O-CG2 3.43Å; S48-E243 PolarHBondContact OG-OE1 3.01Å; S48-E243 PolarHBondContact OG-OE2 3.08Å |
| 49 | N | 81.5 | Confident | 82.6 | Confident | 16 Ų | 16 | 60 Ų | 60 | 9% | 0.086 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 155.4 | -168.3 | -59 | -77.4 | 0 | 0 | 0 | 112 | R65 I66 Y67 E243 | N49-R65 HydrophobicContact CB-CG 3.94Å; N49-R65 VanDerWaalsContact ND2-CZ 3.32Å; N49-R65 PolarHBondContact ND2-NH1 3.26Å; N49-I66 WeakPolarHBondContact CA-O 3.42Å; N49-I66 WeakPolarHBondContact CB-O 3.32Å; N49-Y67 WeakPolarHBondContact OD1-CA 3.27Å; N49-E243 PolarHBondContact ND2-OE2 3.21Å; N49-E243 VanDerWaalsContact ND2-OE2 3.1Å |
| 50 | Q | 86.4 | Confident | 82.3 | Confident | 66 Ų | 66 | 60.4 Ų | 60.4 | 31% | 0.308 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 124.8 | 166.5 | -177.1 | 177.4 | 17.1 | 0 | 0 | 109.7 | G15 I52 I66 | G15-Q50 VanDerWaalsContact CA-OE1 3.25Å; Q50-I52 HydrophobicContact CG-CG1 4.49Å; Q50-I66 HydrophobicContact CB-CB 4.25Å; Q50-I66 PolarHBondContact N-O 2.98Å; Q50-I66 PolarHBondContact O-N 3.41Å |
| 51 | L | 90.9 | Very high | 82.3 | Confident | 18 Ų | 18 | 60.2 Ų | 60.2 | 9% | 0.094 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.7 | 178.8 | -62.8 | -178.7 | 0 | 0 | 0 | 110.5 | L43 I64 R65 Y106 | L43-L51 HydrophobicContact CB-CB 4.03Å; L43-L51 PolarHBondContact N-O 3.41Å; L51-I64 WeakPolarHBondContact CA-O 3.42Å; L51-R65 HydrophobicContact CD2-CB 3.71Å; L51-R65 HydrophobicContact CD2-CG 3.91Å; L51-Y106 WeakPolarHBondContact CD2-OH 3.5Å |
| 52 | I | 93 | Very high | 82.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 116.7 | 175.5 | -53.6 | 167.9 | 0 | 0 | 0 | 108.3 | I16 I22 A40 K41 Q50 I54 L63 I64 I66 | I16-I52 HydrophobicContact CB-CD1 4.15Å; I16-I52 HydrophobicContact CB-CG1 4.47Å; I16-I52 HydrophobicContact CD1-CG2 4.5Å; I16-I52 HydrophobicContact CG1-CG2 4.47Å; I22-I52 HydrophobicContact CD1-CD1 4.02Å; A40-I52 HydrophobicContact CB-CG2 3.95Å; K41-I52 CarbonylContact O-C 3.6Å; K41-I52 WeakPolarHBondContact O-CA 3.35Å; Q50-I52 HydrophobicContact CG-CG1 4.49Å; I52-I54 HydrophobicContact CG2-CD1 3.85Å; I52-L63 WeakPolarHBondContact O-CA 3.31Å; I52-I64 HydrophobicContact CB-CB 4.24Å; I52-I64 PolarHBondContact N-O 3.28Å; I52-I64 PolarHBondContact O-N 3.28Å; I52-I66 HydrophobicContact CD1-CD1 3.78Å |
| 53 | R | 93.5 | Very high | 82.6 | Confident | 60 Ų | 60 | 52.6 Ų | 52.6 | 23% | 0.226 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 131.2 | 169.6 | 178.2 | 175.5 | 164.6 | 168 | -1.9 | 109.4 | A40 K41 L43 D55 S61 L62 L63 Y108 | A40-R53 CarbonylContact C-O 3.56Å; A40-R53 WeakPolarHBondContact CA-O 3.48Å; K41-R53 PolarHBondContact N-O 3.17Å; K41-R53 PolarHBondContact O-N 3.47Å; L43-R53 HydrophobicContact CD1-CB 4.19Å; L43-R53 HydrophobicContact CD2-CB 4.13Å; L43-R53 HydrophobicContact CG-CB 4.11Å; R53-D55 IonicContact CZ-OD1 2.92Å; R53-D55 VanDerWaalsContact CZ-OD1 3.23Å; R53-D55 IonicContact CZ-OD2 3.23Å; R53-D55 IonicContact NE-OD1 3.67Å; R53-D55 PolarHBondContact NE-OD1 3.42Å; R53-D55 IonicContact NE-OD2 2.78Å; R53-D55 PolarHBondContact NE-OD2 2.68Å; R53-D55 VanDerWaalsContact NE-OD2 3.15Å; R53-D55 IonicContact NH2-OD1 2.77Å; R53-D55 PolarHBondContact NH2-OD1 3.03Å; R53-D55 IonicContact NH2-OD2 2.81Å; R53-S61 PolarHBondContact NH2-OG 2.79Å; R53-L62 WeakPolarHBondContact CA-O 3.45Å; R53-L63 HydrophobicContact CB-CD2 4.05Å; R53-Y108 HydrophobicContact CG-CD2 4.43Å; R53-Y108 VanDerWaalsContact NH1-CZ 3.28Å; R53-Y108 PolarHBondContact NH1-OH 2.73Å |
| 54 | I | 93.9 | Very high | 83 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 113.6 | 174.4 | -55.7 | -60.8 | 0 | 0 | 0 | 108.1 | I22 I26 I38 V39 A40 I52 S61 L62 I64 | I22-I54 HydrophobicContact CG2-CD1 3.77Å; I26-I54 HydrophobicContact CD1-CB 4.43Å; I26-I54 HydrophobicContact CD1-CG1 4.13Å; I26-I54 HydrophobicContact CD1-CG2 4.2Å; I26-I54 HydrophobicContact CG1-CG1 4.42Å; I26-I54 HydrophobicContact CG1-CG2 4.23Å; I38-I54 HydrophobicContact CG2-CG2 3.87Å; V39-I54 WeakPolarHBondContact O-CA 3.23Å; A40-I54 HydrophobicContact CB-CD1 3.72Å; I52-I54 HydrophobicContact CG2-CD1 3.85Å; I54-S61 CarbonylContact O-C 3.53Å; I54-S61 VanDerWaalsContact O-CA 3.24Å; I54-S61 WeakPolarHBondContact O-CA 3.49Å; I54-L62 HydrophobicContact CB-CB 4.34Å; I54-L62 PolarHBondContact N-O 3.43Å; I54-L62 PolarHBondContact O-N 2.83Å; I54-I64 HydrophobicContact CD1-CD1 3.95Å; I54-I64 HydrophobicContact CG1-CD1 3.77Å; I54-I64 HydrophobicContact CG1-CG1 3.92Å |
| 55 | D | 91.3 | Very high | 84.1 | Confident | 37 Ų | 37 | 43.7 Ų | 43.7 | 20% | 0.198 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 143.4 | 171.7 | -64.8 | -55.8 | 0 | 0 | 0 | 109.7 | N37 I38 V39 R53 S61 | N37-D55 VanDerWaalsContact O-O 3.05Å; I38-D55 WeakPolarHBondContact CA-O 3.21Å; V39-D55 HydrophobicContact CB-CB 4.37Å; V39-D55 PolarHBondContact N-O 3.34Å; V39-D55 PolarHBondContact O-N 2.95Å; R53-D55 IonicContact CZ-OD1 2.92Å; R53-D55 VanDerWaalsContact CZ-OD1 3.23Å; R53-D55 IonicContact CZ-OD2 3.23Å; R53-D55 IonicContact NE-OD1 3.67Å; R53-D55 PolarHBondContact NE-OD1 3.42Å; R53-D55 IonicContact NE-OD2 2.78Å; R53-D55 PolarHBondContact NE-OD2 2.68Å; R53-D55 VanDerWaalsContact NE-OD2 3.15Å; R53-D55 IonicContact NH2-OD1 2.77Å; R53-D55 PolarHBondContact NH2-OD1 3.03Å; R53-D55 IonicContact NH2-OD2 2.81Å; D55-S61 VanDerWaalsContact OD1-CB 3.26Å; D55-S61 WeakPolarHBondContact OD1-CB 3.11Å; D55-S61 PolarHBondContact OD1-OG 3.42Å |
| 56 | N | 85.3 | Confident | 85.3 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.011 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 81 | 173.9 | -165.7 | -89.9 | 0 | 0 | 0 | 109.8 | Y33 E34 N37 I38 H59 | Y33-N56 HydrophobicContact CD2-CB 3.39Å; Y33-N56 VanDerWaalsContact CD2-CG 3.41Å; Y33-N56 HydrophobicContact CE2-CB 3.43Å; Y33-N56 VanDerWaalsContact CE2-CB 3.43Å; Y33-N56 HydrophobicContact CG-CB 4.06Å; E34-N56 PolarHBondContact O-ND2 2.59Å; E34-N56 VanDerWaalsContact O-ND2 3.11Å; N37-N56 VanDerWaalsContact C-ND2 3.34Å; N37-N56 WeakPolarHBondContact CB-ND2 3.42Å; N37-N56 WeakPolarHBondContact O-CA 3.43Å; I38-N56 VanDerWaalsContact CG1-ND2 3.26Å; I38-N56 WeakPolarHBondContact CG1-ND2 3.33Å; I38-N56 PolarHBondContact N-ND2 3.31Å; N56-H59 CarbonylContact O-C 3.48Å; N56-H59 WeakPolarHBondContact O-CA 3.39Å; N56-H59 VanDerWaalsContact O-CB 3.23Å; N56-H59 WeakPolarHBondContact O-CB 3.47Å; N56-H59 PolarHBondContact O-N 2.69Å; N56-H59 VanDerWaalsContact O-O 3.1Å; N56-H59 PolarHBondContact OD1-CD2 3.47Å |
| 57 | D | 76.9 | Confident | 86.4 | Confident | 132 Ų | 132 | 38.6 Ų | 38.6 | 71% | 0.706 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 129 | 176.6 | -172.3 | 21 | 0 | 0 | 0 | 110.2 | N37 | N37-D57 PolarHBondContact ND2-O 3.39Š|
| 58 | P | 77.8 | Confident | 86.9 | Confident | 106 Ų | 106 | 34.9 Ų | 34.9 | 69% | 0.688 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -95.5 | 15.6 | 10.2 | 39.9 | -37.1 | 0 | 0 | 0 | 116.3 | ||
| 59 | H | 80.3 | Confident | 86.8 | Confident | 75 Ų | 75 | 41.9 Ų | 41.9 | 35% | 0.347 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 158.2 | 178.9 | -53.4 | -50.8 | 0 | 0 | 0 | 112.8 | Y33 N56 | Y33-H59 HydrophobicContact CD1-CB 4.17Å; Y33-H59 AromaticContact CD1-CD2 3.31Å; Y33-H59 WeakPolarHBondContact CD1-CD2 3.36Å; Y33-H59 AromaticContact CD1-CG 3.89Å; Y33-H59 HydrophobicContact CE1-CB 3.35Å; Y33-H59 AromaticContact CE1-CD2 3.4Å; Y33-H59 VanDerWaalsContact CE1-CD2 3.4Å; Y33-H59 WeakPolarHBondContact CE1-CD2 3.31Å; Y33-H59 AromaticContact CE1-CG 3.45Å; Y33-H59 VanDerWaalsContact CE1-CG 3.45Å; Y33-H59 HydrophobicContact CE2-CB 4.45Å; Y33-H59 WeakPolarHBondContact OH-CB 3.48Å; N56-H59 CarbonylContact O-C 3.48Å; N56-H59 WeakPolarHBondContact O-CA 3.39Å; N56-H59 VanDerWaalsContact O-CB 3.23Å; N56-H59 WeakPolarHBondContact O-CB 3.47Å; N56-H59 PolarHBondContact O-N 2.69Å; N56-H59 VanDerWaalsContact O-O 3.1Å; N56-H59 PolarHBondContact OD1-CD2 3.47Å |
| 60 | S | 83.1 | Confident | 85.8 | Confident | 93 Ų | 93 | 41.5 Ų | 41.5 | 65% | 0.65 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -65 | 144.8 | 178.5 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | Y33 | Y33-S60 PolarHBondContact OH-O 2.61Å |
| 61 | S | 91.9 | Very high | 84.4 | Confident | 23 Ų | 23 | 38.5 Ų | 38.5 | 16% | 0.161 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 152.8 | 173.5 | -46.7 | 0 | 0 | 0 | 0 | 111.9 | R53 I54 D55 Y108 | R53-S61 PolarHBondContact NH2-OG 2.79Å; I54-S61 CarbonylContact O-C 3.53Å; I54-S61 VanDerWaalsContact O-CA 3.24Å; I54-S61 WeakPolarHBondContact O-CA 3.49Å; D55-S61 VanDerWaalsContact OD1-CB 3.26Å; D55-S61 WeakPolarHBondContact OD1-CB 3.11Å; D55-S61 PolarHBondContact OD1-OG 3.42Å; S61-Y108 VanDerWaalsContact O-CB 3.28Å; S61-Y108 WeakPolarHBondContact O-CB 3.37Å; S61-Y108 PolarHBondContact O-N 3.18Å |
| 62 | L | 93.9 | Very high | 82.8 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 161.1 | 179.2 | -52.3 | 164.5 | 0 | 0 | 0 | 109.4 | I26 F30 Y33 R53 I54 Y97 V105 | I26-L62 HydrophobicContact CD1-CD1 3.98Å; F30-L62 HydrophobicContact CD2-CD1 3.58Å; F30-L62 HydrophobicContact CE2-CD1 3.33Å; F30-L62 HydrophobicContact CE2-CD2 3.86Å; F30-L62 HydrophobicContact CE2-CG 4.25Å; F30-L62 HydrophobicContact CG-CD1 4.49Å; F30-L62 HydrophobicContact CZ-CD1 4.07Å; F30-L62 HydrophobicContact CZ-CD2 3.77Å; Y33-L62 HydrophobicContact CE2-CD1 3.71Å; R53-L62 WeakPolarHBondContact CA-O 3.45Å; I54-L62 HydrophobicContact CB-CB 4.34Å; I54-L62 PolarHBondContact N-O 3.43Å; I54-L62 PolarHBondContact O-N 2.83Å; L62-Y97 HydrophobicContact CD2-CD2 3.65Å; L62-Y97 HydrophobicContact CD2-CE2 3.27Å; L62-V105 HydrophobicContact CB-CG1 4.29Å |
| 63 | L | 94.3 | Very high | 81.7 | Confident | 9 Ų | 9 | 44.9 Ų | 44.9 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.8 | 170.5 | -71.7 | 170.9 | 0 | 0 | 0 | 109.9 | L43 I52 R53 V105 Y106 Y108 | L43-L63 HydrophobicContact CD1-CD2 3.52Å; I52-L63 WeakPolarHBondContact O-CA 3.31Å; R53-L63 HydrophobicContact CB-CD2 4.05Å; L63-V105 CarbonylContact O-C 3.52Å; L63-V105 VanDerWaalsContact O-CA 3.26Å; L63-V105 WeakPolarHBondContact O-CA 3.48Å; L63-Y106 HydrophobicContact CB-CD1 3.73Å; L63-Y106 HydrophobicContact CB-CE1 3.28Å; L63-Y106 HydrophobicContact CB-CE2 4.18Å; L63-Y106 HydrophobicContact CB-CG 4.32Å; L63-Y106 HydrophobicContact CD1-CE1 4.25Å; L63-Y106 HydrophobicContact CD1-CE2 3.78Å; L63-Y106 HydrophobicContact CG-CE1 4.39Å; L63-Y106 PolarHBondContact N-O 2.88Å; L63-Y106 VanDerWaalsContact O-CD1 3.24Å; L63-Y106 WeakPolarHBondContact O-CD1 3.32Å; L63-Y106 PolarHBondContact O-N 2.88Å; L63-Y108 HydrophobicContact CD1-CD2 3.9Å; L63-Y108 HydrophobicContact CD2-CD2 3.85Å; L63-Y108 HydrophobicContact CD2-CE2 4.49Å; L63-Y108 HydrophobicContact CG-CD2 3.78Å; L63-Y108 HydrophobicContact CG-CG 4.5Å |
| 64 | I | 94.6 | Very high | 81.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 116.5 | 164 | -55.5 | -178.6 | 0 | 0 | 0 | 106.3 | I13 I22 I26 L51 I52 I54 I66 F100 V105 | I13-I64 HydrophobicContact CD1-CD1 4.31Å; I13-I64 HydrophobicContact CD1-CG2 4.02Å; I22-I64 HydrophobicContact CG1-CD1 4.21Å; I22-I64 HydrophobicContact CG2-CD1 3.94Å; I26-I64 HydrophobicContact CD1-CD1 4.35Å; L51-I64 WeakPolarHBondContact CA-O 3.42Å; I52-I64 HydrophobicContact CB-CB 4.24Å; I52-I64 PolarHBondContact N-O 3.28Å; I52-I64 PolarHBondContact O-N 3.28Å; I54-I64 HydrophobicContact CD1-CD1 3.95Å; I54-I64 HydrophobicContact CG1-CD1 3.77Å; I54-I64 HydrophobicContact CG1-CG1 3.92Å; I64-I66 HydrophobicContact CG2-CG1 4.1Å; I64-F100 HydrophobicContact CG2-CE1 3.78Å; I64-F100 HydrophobicContact CG2-CZ 3.58Å; I64-V105 HydrophobicContact CG1-CG2 4.2Å |
| 65 | R | 92.6 | Very high | 80.4 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 3% | 0.03 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 121 | 168.4 | 173.8 | 172.3 | -80.7 | -143.6 | -12.9 | 108.2 | N49 L51 E80 F100 G103 F104 Y106 D241 E243 | N49-R65 HydrophobicContact CB-CG 3.94Å; N49-R65 VanDerWaalsContact ND2-CZ 3.32Å; N49-R65 PolarHBondContact ND2-NH1 3.26Å; L51-R65 HydrophobicContact CD2-CB 3.71Å; L51-R65 HydrophobicContact CD2-CG 3.91Å; R65-E80 IonicContact CZ-OE1 3.03Å; R65-E80 IonicContact NH1-OE1 2.76Å; R65-E80 PolarHBondContact NH1-OE1 3.22Å; R65-F100 WeakPolarHBondContact O-CZ 3.49Å; R65-G103 CarbonylContact O-C 3.52Å; R65-G103 WeakPolarHBondContact O-CA 3.36Å; R65-F104 HydrophobicContact CB-CD2 4.47Å; R65-F104 HydrophobicContact CB-CE1 4.5Å; R65-F104 HydrophobicContact CB-CE2 4.15Å; R65-F104 HydrophobicContact CB-CZ 4.18Å; R65-F104 HydrophobicContact CG-CE1 4.38Å; R65-F104 HydrophobicContact CG-CZ 4.27Å; R65-F104 PolarHBondContact N-O 2.83Å; R65-F104 PolarHBondContact O-N 3.47Å; R65-Y106 HydrophobicContact CB-CD1 4.48Å; R65-Y106 HydrophobicContact CB-CE1 3.72Å; R65-D241 IonicContact CZ-OD1 2.67Å; R65-D241 VanDerWaalsContact CZ-OD1 3.29Å; R65-D241 IonicContact CZ-OD2 2.84Å; R65-D241 IonicContact NH1-OD1 2.61Å; R65-D241 PolarHBondContact NH1-OD1 3.22Å; R65-D241 IonicContact NH2-OD1 3.08Å; R65-D241 PolarHBondContact NH2-OD1 3.04Å; R65-D241 IonicContact NH2-OD2 3.92Å; R65-D241 PolarHBondContact NH2-OD2 3.01Å; R65-E243 IonicContact NH1-OE2 2.6Å; R65-E243 PolarHBondContact NH1-OE2 3.4Å |
| 66 | I | 90.5 | Very high | 79.9 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.046 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.5 | 171.3 | -55.3 | 169 | 0 | 0 | 0 | 107.1 | I13 N49 Q50 I52 I64 G68 F100 N102 | I13-I66 HydrophobicContact CB-CD1 4.14Å; I13-I66 HydrophobicContact CB-CG1 4.47Å; I13-I66 HydrophobicContact CG2-CD1 3.6Å; I13-I66 HydrophobicContact CG2-CG1 4.37Å; N49-I66 WeakPolarHBondContact CA-O 3.42Å; N49-I66 WeakPolarHBondContact CB-O 3.32Å; Q50-I66 HydrophobicContact CB-CB 4.25Å; Q50-I66 PolarHBondContact N-O 2.98Å; Q50-I66 PolarHBondContact O-N 3.41Å; I52-I66 HydrophobicContact CD1-CD1 3.78Å; I64-I66 HydrophobicContact CG2-CG1 4.1Å; I66-G68 PolarHBondContact O-N 3.33Å; I66-F100 HydrophobicContact CG1-CE2 4.42Å; I66-F100 HydrophobicContact CG1-CZ 4.24Å; I66-N102 WeakPolarHBondContact CA-O 3.26Å; I66-N102 WeakPolarHBondContact CG2-ND2 3.46Å |
| 67 | Y | 86.2 | Confident | 79.7 | Confident | 49 Ų | 49 | 46.8 Ų | 46.8 | 19% | 0.192 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 128.1 | 178.6 | -56.5 | -43.1 | 0 | 0 | 0 | 110.4 | N49 R77 M81 N102 F104 | N49-Y67 WeakPolarHBondContact OD1-CA 3.27Å; Y67-R77 HydrophobicContact CD1-CG 4.25Å; Y67-R77 HydrophobicContact CE1-CB 4.46Å; Y67-R77 HydrophobicContact CE1-CG 4.21Å; Y67-R77 HydrophobicContact CG-CG 4.46Å; Y67-M81 PolarHBondContact OH-SD 3.07Å; Y67-N102 WeakPolarHBondContact CD2-O 3.38Å; Y67-N102 PolarHBondContact N-O 3.41Å; Y67-F104 AromaticContact CE1-CD1 3.93Å; Y67-F104 HydrophobicContact CE1-CD1 3.93Å; Y67-F104 AromaticContact CE1-CE1 3.75Å; Y67-F104 HydrophobicContact CE1-CE1 3.75Å; Y67-F104 AromaticContact CZ-CD1 3.95Å; Y67-F104 WeakPolarHBondContact OH-CD1 3.22Å |
| 68 | G | 77.7 | Confident | 79.8 | Confident | 22 Ų | 22 | 44.1 Ų | 44.1 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | trans | -88.5 | 178.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S48 I66 L70 T71 | S48-G68 WeakPolarHBondContact O-CA 3.35Å; S48-G68 PolarHBondContact O-N 2.91Å; I66-G68 PolarHBondContact O-N 3.33Å; G68-L70 VanDerWaalsContact C-N 3.33Å; G68-L70 PolarHBondContact O-N 3.23Å; G68-T71 WeakPolarHBondContact O-CB 3.44Å; G68-T71 WeakPolarHBondContact O-CG2 3.48Å; G68-T71 PolarHBondContact O-N 3.46Å; G68-T71 PolarHBondContact O-OG1 3.26Å | ||
| 69 | D | 66.9 | Low | 80 | Confident | 153 Ų | 153 | 40.9 Ų | 40.9 | 82% | 0.818 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -30.9 | -176.4 | -60.4 | -33 | 0 | 0 | 0 | 112.8 | T71 | D69-T71 PolarHBondContact O-N 2.92Š|
| 70 | L | 60.5 | Low | 80.1 | Confident | 8 Ų | 8 | 37.3 Ų | 37.3 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -18.7 | 179.6 | -158.2 | 123.8 | 0 | 0 | 0 | 113.1 | G68 W330 L339 F344 | G68-L70 VanDerWaalsContact C-N 3.33Å; G68-L70 PolarHBondContact O-N 3.23Å; L70-W330 HydrophobicContact CD2-CZ2 4.33Å; L70-L339 HydrophobicContact CB-CD1 4.35Å; L70-L339 HydrophobicContact CD1-CB 4.45Å; L70-L339 HydrophobicContact CD1-CD1 3.31Å; L70-L339 HydrophobicContact CD1-CD2 4.23Å; L70-L339 HydrophobicContact CD1-CG 4.18Å; L70-L339 HydrophobicContact CG-CD1 3.65Å; L70-F344 HydrophobicContact CD1-CZ 4.21Å |
| 71 | T | 56.8 | Low | 80.1 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -92.3 | -21.3 | -152.4 | 69.6 | 0 | 0 | 0 | 0 | 115.6 | S48 G68 D69 I75 | S48-T71 WeakPolarHBondContact O-CG2 3.43Å; G68-T71 WeakPolarHBondContact O-CB 3.44Å; G68-T71 WeakPolarHBondContact O-CG2 3.48Å; G68-T71 PolarHBondContact O-N 3.46Å; G68-T71 PolarHBondContact O-OG1 3.26Å; D69-T71 PolarHBondContact O-N 2.92Å; T71-I75 WeakPolarHBondContact O-CB 3.48Å; T71-I75 PolarHBondContact O-N 3.31Å |
| 72 | T | 58.6 | Low | 79.6 | Confident | 121 Ų | 121 | 35.7 Ų | 35.7 | 74% | 0.742 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -82.5 | -20.3 | -169.2 | 57.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 73 | S | 69.4 | Low | 79.1 | Confident | 32 Ų | 32 | 35.7 Ų | 35.7 | 22% | 0.224 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -91.7 | -42.9 | -170.6 | 91 | 0 | 0 | 0 | 0 | 112.8 | R172 E337 | S73-R172 VanDerWaalsContact CB-NH2 3.28Å; S73-R172 PolarHBondContact O-NH1 3.38Å; S73-R172 PolarHBondContact OG-NH1 3.04Å; S73-R172 PolarHBondContact OG-NH2 3.4Å; S73-E337 PolarHBondContact OG-OE1 3.27Å; S73-E337 PolarHBondContact OG-OE2 3.44Å |
| 74 | L | 80 | Confident | 78.7 | Confident | 19 Ų | 19 | 35.5 Ų | 35.5 | 10% | 0.099 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -103.8 | -23.8 | -176.1 | -65.2 | 171.6 | 0 | 0 | 0 | 113.9 | W169 W330 I333 | L74-W169 HydrophobicContact CB-CZ2 4.33Å; L74-W169 HydrophobicContact CD2-CD2 3.97Å; L74-W169 HydrophobicContact CD2-CG 3.86Å; L74-W169 HydrophobicContact CD2-CZ2 4.45Å; L74-W330 HydrophobicContact CD1-CG 4.35Å; L74-I333 HydrophobicContact CD1-CB 4.45Å; L74-I333 HydrophobicContact CD1-CG2 4.11Å; L74-I333 HydrophobicContact CD2-CD1 3.9Å; L74-I333 HydrophobicContact CD2-CG2 4.35Å; L74-I333 HydrophobicContact CG-CG2 4.44Å |
| 75 | I | 78.9 | Confident | 78.1 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | trans | -112 | 128.1 | -170.9 | -59.9 | 163.6 | 0 | 0 | 0 | 109.9 | T71 R77 E243 Y244 | T71-I75 WeakPolarHBondContact O-CB 3.48Å; T71-I75 PolarHBondContact O-N 3.31Å; I75-R77 PolarHBondContact O-N 3.13Å; I75-E243 HydrophobicContact CD1-CG 4.11Å; I75-E243 WeakPolarHBondContact CD1-OE2 3.22Å; I75-E243 HydrophobicContact CG2-CB 4.13Å; I75-Y244 HydrophobicContact CD1-CE1 4.14Å; I75-Y244 HydrophobicContact CD1-CE2 4.47Å; I75-Y244 HydrophobicContact CG1-CD1 4.43Å; I75-Y244 HydrophobicContact CG1-CE1 3.77Å | ||
| 76 | N | 81.7 | Confident | 77.5 | Confident | 83 Ų | 83 | 38.5 Ų | 38.5 | 44% | 0.444 | 21% | 0.21 | S | C | . | . | trans | -86.5 | 97.4 | 172.1 | -174.7 | -26.1 | 0 | 0 | 0 | 109.7 | T78 N79 E80 | N76-T78 PolarHBondContact O-N 3.07Å; N76-T78 WeakPolarHBondContact OD1-CA 3.07Å; N76-T78 VanDerWaalsContact OD1-CB 3.26Å; N76-T78 WeakPolarHBondContact OD1-CB 3.38Å; N76-T78 PolarHBondContact OD1-N 2.82Å; N76-N79 HydrophobicContact CB-CB 3.99Å; N76-N79 PolarHBondContact ND2-ND2 3.12Å; N76-N79 WeakPolarHBondContact O-CA 3.24Å; N76-N79 WeakPolarHBondContact O-CB 3.27Å; N76-N79 PolarHBondContact O-N 3.35Å; N76-N79 PolarHBondContact OD1-N 2.84Å; N76-N79 VanDerWaalsContact OD1-N 3.08Å; N76-E80 PolarHBondContact O-N 3.34Å | ||
| 77 | R | 80.1 | Confident | 77.2 | Confident | 25 Ų | 25 | 38.2 Ų | 38.2 | 9% | 0.094 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.8 | -28.1 | 179 | -65.1 | -60.8 | 172.7 | -161.4 | -18.4 | 114.3 | Y67 I75 E80 M81 E243 | Y67-R77 HydrophobicContact CD1-CG 4.25Å; Y67-R77 HydrophobicContact CE1-CB 4.46Å; Y67-R77 HydrophobicContact CE1-CG 4.21Å; Y67-R77 HydrophobicContact CG-CG 4.46Å; I75-R77 PolarHBondContact O-N 3.13Å; R77-E80 WeakPolarHBondContact CD-OE2 3.48Å; R77-E80 IonicContact CZ-OE2 2.66Å; R77-E80 IonicContact NE-OE2 3.79Å; R77-E80 IonicContact NH1-OE1 3.92Å; R77-E80 PolarHBondContact NH1-OE1 3.37Å; R77-E80 VanDerWaalsContact NH1-OE1 3.14Å; R77-E80 IonicContact NH1-OE2 3.75Å; R77-E80 PolarHBondContact NH1-OE2 2.7Å; R77-M81 WeakPolarHBondContact O-CG 3.33Å; R77-M81 PolarHBondContact O-N 3.34Å; R77-M81 VanDerWaalsContact O-N 3.14Å; R77-E243 IonicContact CZ-OE2 2.83Å; R77-E243 VanDerWaalsContact CZ-OE2 3.29Å; R77-E243 IonicContact NH1-OE2 3.07Å; R77-E243 PolarHBondContact NH1-OE2 2.99Å; R77-E243 IonicContact NH2-OE2 2.91Å; R77-E243 PolarHBondContact NH2-OE2 3.3Å |
| 78 | T | 80.3 | Confident | 77 | Confident | 77 Ų | 77 | 36.7 Ų | 36.7 | 47% | 0.472 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.8 | -42.2 | 172.9 | -58.7 | 0 | 0 | 0 | 0 | 110.7 | N76 K82 | N76-T78 PolarHBondContact O-N 3.07Å; N76-T78 WeakPolarHBondContact OD1-CA 3.07Å; N76-T78 VanDerWaalsContact OD1-CB 3.26Å; N76-T78 WeakPolarHBondContact OD1-CB 3.38Å; N76-T78 PolarHBondContact OD1-N 2.82Å; T78-K82 WeakPolarHBondContact O-CG 3.36Å; T78-K82 PolarHBondContact O-N 2.77Å |
| 79 | N | 80.6 | Confident | 77.1 | Confident | 37 Ų | 37 | 40.1 Ų | 40.1 | 20% | 0.198 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.9 | -44.8 | 176.7 | -69.6 | -2 | 0 | 0 | 0 | 111.1 | N76 M81 K82 Y83 | N76-N79 HydrophobicContact CB-CB 3.99Å; N76-N79 PolarHBondContact ND2-ND2 3.12Å; N76-N79 WeakPolarHBondContact O-CA 3.24Å; N76-N79 WeakPolarHBondContact O-CB 3.27Å; N76-N79 PolarHBondContact O-N 3.35Å; N76-N79 PolarHBondContact OD1-N 2.84Å; N76-N79 VanDerWaalsContact OD1-N 3.08Å; N79-M81 VanDerWaalsContact C-N 3.31Å; N79-M81 PolarHBondContact O-N 3.2Å; N79-K82 CarbonylContact O-C 3.55Å; N79-K82 WeakPolarHBondContact O-CA 3.31Å; N79-K82 WeakPolarHBondContact O-CB 3.47Å; N79-K82 PolarHBondContact O-N 2.94Å; N79-Y83 VanDerWaalsContact C-CE2 3.48Å; N79-Y83 HydrophobicContact CB-CD2 4.24Å; N79-Y83 HydrophobicContact CB-CE2 3.46Å; N79-Y83 VanDerWaalsContact CB-CE2 3.46Å; N79-Y83 WeakPolarHBondContact O-CD2 3.37Å; N79-Y83 WeakPolarHBondContact O-CE2 3.22Å; N79-Y83 VanDerWaalsContact O-CG 3.31Å; N79-Y83 PolarHBondContact O-N 2.86Å |
| 80 | E | 84 | Confident | 77.6 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -47.4 | -53.3 | 173.3 | 178.8 | -168.6 | -161.2 | 0 | 0 | 111.5 | R65 N76 R77 K82 Y83 I84 E243 | R65-E80 IonicContact CZ-OE1 3.03Å; R65-E80 IonicContact NH1-OE1 2.76Å; R65-E80 PolarHBondContact NH1-OE1 3.22Å; N76-E80 PolarHBondContact O-N 3.34Å; R77-E80 WeakPolarHBondContact CD-OE2 3.48Å; R77-E80 IonicContact CZ-OE2 2.66Å; R77-E80 IonicContact NE-OE2 3.79Å; R77-E80 IonicContact NH1-OE1 3.92Å; R77-E80 PolarHBondContact NH1-OE1 3.37Å; R77-E80 VanDerWaalsContact NH1-OE1 3.14Å; R77-E80 IonicContact NH1-OE2 3.75Å; R77-E80 PolarHBondContact NH1-OE2 2.7Å; E80-K82 VanDerWaalsContact C-N 3.33Å; E80-K82 PolarHBondContact O-N 3.36Å; E80-Y83 WeakPolarHBondContact O-CB 3.39Å; E80-Y83 PolarHBondContact O-N 3.36Å; E80-Y83 VanDerWaalsContact O-N 3.14Å; E80-I84 HydrophobicContact CG-CD1 3.86Å; E80-I84 HydrophobicContact CG-CG1 4.49Å; E80-I84 WeakPolarHBondContact O-CG1 3.36Å; E80-I84 PolarHBondContact O-N 3.26Å; E80-E243 HydrophobicContact CG-CB 4.16Å |
| 81 | M | 82.5 | Confident | 78.4 | Confident | 36 Ų | 36 | 45.1 Ų | 45.1 | 18% | 0.177 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.3 | -42.3 | 179.3 | -71.3 | -173.4 | -67.3 | 0 | 0 | 112.1 | Y67 R77 N79 Y83 I84 Q85 I99 F104 | Y67-M81 PolarHBondContact OH-SD 3.07Å; R77-M81 WeakPolarHBondContact O-CG 3.33Å; R77-M81 PolarHBondContact O-N 3.34Å; R77-M81 VanDerWaalsContact O-N 3.14Å; N79-M81 VanDerWaalsContact C-N 3.31Å; N79-M81 PolarHBondContact O-N 3.2Å; M81-Y83 VanDerWaalsContact C-N 3.33Å; M81-Y83 PolarHBondContact O-N 3.34Å; M81-I84 PolarHBondContact O-N 3.45Å; M81-Q85 WeakPolarHBondContact O-CB 3.48Å; M81-Q85 VanDerWaalsContact O-CG 3.23Å; M81-Q85 WeakPolarHBondContact O-CG 3.48Å; M81-Q85 PolarHBondContact O-N 3.12Å; M81-I99 HydrophobicContact SD-CD1 3.91Å; M81-I99 HydrophobicContact SD-CG1 4.18Å; M81-I99 HydrophobicContact SD-CG2 4.09Å; M81-F104 HydrophobicContact CG-CD1 4.24Å; M81-F104 HydrophobicContact CG-CE1 4.42Å |
| 82 | K | 81.3 | Confident | 79.4 | Confident | 46 Ų | 46 | 46.4 Ų | 46.4 | 20% | 0.2 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | 175.6 | -70.4 | 175.2 | -178.3 | -174.9 | 0 | 111.2 | T78 N79 E80 Q85 I86 K146 T147 | T78-K82 WeakPolarHBondContact O-CG 3.36Å; T78-K82 PolarHBondContact O-N 2.77Å; N79-K82 CarbonylContact O-C 3.55Å; N79-K82 WeakPolarHBondContact O-CA 3.31Å; N79-K82 WeakPolarHBondContact O-CB 3.47Å; N79-K82 PolarHBondContact O-N 2.94Å; E80-K82 VanDerWaalsContact C-N 3.33Å; E80-K82 PolarHBondContact O-N 3.36Å; K82-Q85 WeakPolarHBondContact O-CB 3.13Å; K82-Q85 PolarHBondContact O-N 3.3Å; K82-I86 WeakPolarHBondContact O-CD1 3.49Å; K82-I86 VanDerWaalsContact O-CG1 3.25Å; K82-I86 WeakPolarHBondContact O-CG1 3.35Å; K82-I86 PolarHBondContact O-N 3.23Å; K82-K146 PolarHBondContact NZ-O 3.1Å; K82-T147 HydrophobicContact CD-CG2 4.14Å |
| 83 | Y | 83.4 | Confident | 80.5 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -51 | 177.9 | -62.5 | -56.6 | 0 | 0 | 0 | 111.8 | N79 E80 M81 Q85 I86 V87 F143 L218 C245 D246 | N79-Y83 VanDerWaalsContact C-CE2 3.48Å; N79-Y83 HydrophobicContact CB-CD2 4.24Å; N79-Y83 HydrophobicContact CB-CE2 3.46Å; N79-Y83 VanDerWaalsContact CB-CE2 3.46Å; N79-Y83 WeakPolarHBondContact O-CD2 3.37Å; N79-Y83 WeakPolarHBondContact O-CE2 3.22Å; N79-Y83 VanDerWaalsContact O-CG 3.31Å; N79-Y83 PolarHBondContact O-N 2.86Å; E80-Y83 WeakPolarHBondContact O-CB 3.39Å; E80-Y83 PolarHBondContact O-N 3.36Å; E80-Y83 VanDerWaalsContact O-N 3.14Å; M81-Y83 VanDerWaalsContact C-N 3.33Å; M81-Y83 PolarHBondContact O-N 3.34Å; Y83-Q85 VanDerWaalsContact C-N 3.25Å; Y83-Q85 PolarHBondContact O-N 3.33Å; Y83-I86 PolarHBondContact O-N 2.92Å; Y83-V87 WeakPolarHBondContact O-CG2 3.02Å; Y83-V87 PolarHBondContact O-N 2.65Å; Y83-F143 HydrophobicContact CD1-CD2 4.05Å; Y83-F143 AromaticContact CD1-CE2 3.67Å; Y83-F143 HydrophobicContact CD1-CE2 3.67Å; Y83-F143 AromaticContact CE1-CD2 3.71Å; Y83-F143 HydrophobicContact CE1-CD2 3.71Å; Y83-F143 AromaticContact CE1-CE2 2.93Å; Y83-F143 HydrophobicContact CE1-CE2 2.93Å; Y83-F143 AromaticContact CE1-CZ 3.45Å; Y83-F143 HydrophobicContact CE1-CZ 3.45Å; Y83-F143 VanDerWaalsContact CE1-CZ 3.45Å; Y83-F143 AromaticContact CZ-CE2 3.63Å; Y83-F143 AromaticContact CZ-CZ 3.87Å; Y83-F143 WeakPolarHBondContact OH-CZ 3.41Å; Y83-L218 HydrophobicContact CD1-CD1 4.05Å; Y83-L218 HydrophobicContact CE1-CD1 4Å; Y83-C245 HydrophobicContact CD1-CB 4.14Å; Y83-C245 HydrophobicContact CD2-CB 3.76Å; Y83-C245 WeakPolarHBondContact CD2-O 3.44Å; Y83-C245 HydrophobicContact CE2-CB 4.32Å; Y83-C245 WeakPolarHBondContact CE2-O 3.39Å; Y83-C245 HydrophobicContact CG-CB 3.75Å; Y83-C245 PolarHBondContact OH-O 2.97Å; Y83-D246 PolarHBondContact OH-OD1 3.21Å; Y83-D246 PolarHBondContact OH-OD2 2.67Å |
| 84 | I | 85.1 | Confident | 81.5 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.1 | -38.3 | 179.9 | -60 | 170.2 | 0 | 0 | 0 | 110.3 | E80 M81 G88 I96 F104 M242 | E80-I84 HydrophobicContact CG-CD1 3.86Å; E80-I84 HydrophobicContact CG-CG1 4.49Å; E80-I84 WeakPolarHBondContact O-CG1 3.36Å; E80-I84 PolarHBondContact O-N 3.26Å; M81-I84 PolarHBondContact O-N 3.45Å; I84-G88 WeakPolarHBondContact O-CA 3.49Å; I84-G88 PolarHBondContact O-N 2.71Å; I84-I96 HydrophobicContact CB-CD1 3.94Å; I84-I96 HydrophobicContact CB-CG1 4.22Å; I84-I96 HydrophobicContact CG2-CD1 3.87Å; I84-I96 HydrophobicContact CG2-CG1 3.56Å; I84-F104 HydrophobicContact CD1-CE1 4.34Å; I84-F104 HydrophobicContact CD1-CE2 3.85Å; I84-F104 HydrophobicContact CD1-CZ 3.45Å; I84-F104 VanDerWaalsContact CD1-CZ 3.45Å; I84-M242 HydrophobicContact CG1-CB 4.18Å; I84-M242 HydrophobicContact CG1-CG 4.5Å |
| 85 | Q | 83.2 | Confident | 81.9 | Confident | 61 Ų | 61 | 44.5 Ų | 44.5 | 29% | 0.285 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 173.8 | -75.5 | 179.1 | -3.8 | 0 | 0 | 112.9 | I6 M81 K82 Y83 I96 | I6-Q85 HydrophobicContact CD1-CG 3.68Å; I6-Q85 VanDerWaalsContact CD1-NE2 3.26Å; M81-Q85 WeakPolarHBondContact O-CB 3.48Å; M81-Q85 VanDerWaalsContact O-CG 3.23Å; M81-Q85 WeakPolarHBondContact O-CG 3.48Å; M81-Q85 PolarHBondContact O-N 3.12Å; K82-Q85 WeakPolarHBondContact O-CB 3.13Å; K82-Q85 PolarHBondContact O-N 3.3Å; Y83-Q85 VanDerWaalsContact C-N 3.25Å; Y83-Q85 PolarHBondContact O-N 3.33Å; Q85-I96 HydrophobicContact CG-CD1 4.19Å |
| 86 | I | 80.6 | Confident | 82.5 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 5% | 0.051 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.1 | -52.4 | -179.5 | -69.3 | 163.2 | 0 | 0 | 0 | 110.1 | K82 Y83 G88 K89 F143 | K82-I86 WeakPolarHBondContact O-CD1 3.49Å; K82-I86 VanDerWaalsContact O-CG1 3.25Å; K82-I86 WeakPolarHBondContact O-CG1 3.35Å; K82-I86 PolarHBondContact O-N 3.23Å; Y83-I86 PolarHBondContact O-N 2.92Å; I86-G88 VanDerWaalsContact C-N 3.28Å; I86-G88 PolarHBondContact O-N 2.66Å; I86-K89 WeakPolarHBondContact O-CB 3.48Å; I86-K89 PolarHBondContact O-N 3.23Å; I86-F143 HydrophobicContact CD1-CB 4.05Å; I86-F143 HydrophobicContact CD1-CD2 3.79Å; I86-F143 HydrophobicContact CD1-CG 4.45Å |
| 87 | V | 82.7 | Confident | 83.1 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.6 | -31.8 | -179.2 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | Y83 K89 L90 Y93 L135 L138 L218 M242 | Y83-V87 WeakPolarHBondContact O-CG2 3.02Å; Y83-V87 PolarHBondContact O-N 2.65Å; V87-K89 PolarHBondContact O-N 3.5Å; V87-K89 VanDerWaalsContact O-N 3.14Å; V87-L90 VanDerWaalsContact O-CB 3.3Å; V87-L90 WeakPolarHBondContact O-CB 3.43Å; V87-L90 WeakPolarHBondContact O-CD1 3.47Å; V87-L90 PolarHBondContact O-N 3.33Å; V87-Y93 HydrophobicContact CB-CD1 3.93Å; V87-Y93 HydrophobicContact CB-CE1 4.46Å; V87-Y93 HydrophobicContact CB-CG 4.08Å; V87-Y93 HydrophobicContact CG2-CD1 4.05Å; V87-Y93 HydrophobicContact CG2-CG 4.36Å; V87-Y93 WeakPolarHBondContact O-CB 3.37Å; V87-L135 HydrophobicContact CG1-CD1 3.88Å; V87-L138 HydrophobicContact CB-CD1 4.49Å; V87-L138 HydrophobicContact CG1-CD1 3.91Å; V87-L218 HydrophobicContact CG1-CD2 4.16Å; V87-M242 HydrophobicContact CG1-CE 4.28Å; V87-M242 HydrophobicContact CG2-CG 4.26Å |
| 88 | G | 83.8 | Confident | 83.7 | Confident | 17 Ų | 17 | 41.6 Ų | 41.6 | 18% | 0.175 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -12.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | I84 I86 L90 Q94 | I84-G88 WeakPolarHBondContact O-CA 3.49Å; I84-G88 PolarHBondContact O-N 2.71Å; I86-G88 VanDerWaalsContact C-N 3.28Å; I86-G88 PolarHBondContact O-N 2.66Å; G88-L90 PolarHBondContact O-N 3.2Å; G88-Q94 WeakPolarHBondContact CA-O 3.3Å |
| 89 | K | 78.8 | Confident | 84.4 | Confident | 94 Ų | 94 | 39.2 Ų | 39.2 | 41% | 0.409 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -17.5 | 168.8 | -67.2 | 179 | 172.8 | -171.7 | 0 | 112.7 | I86 V87 E142 | I86-K89 WeakPolarHBondContact O-CB 3.48Å; I86-K89 PolarHBondContact O-N 3.23Å; V87-K89 PolarHBondContact O-N 3.5Å; V87-K89 VanDerWaalsContact O-N 3.14Å; K89-E142 VanDerWaalsContact NZ-CD 3.35Å; K89-E142 IonicContact NZ-OE1 3.87Å; K89-E142 PolarHBondContact NZ-OE1 3.32Å; K89-E142 IonicContact NZ-OE2 3.99Å; K89-E142 PolarHBondContact NZ-OE2 3.16Å |
| 90 | L | 77 | Confident | 85 | Confident | 57 Ų | 57 | 37.6 Ų | 37.6 | 30% | 0.298 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -98.6 | 144.2 | -174 | -55.7 | 154 | 0 | 0 | 0 | 110.4 | V87 G88 G92 Y93 L138 | V87-L90 VanDerWaalsContact O-CB 3.3Å; V87-L90 WeakPolarHBondContact O-CB 3.43Å; V87-L90 WeakPolarHBondContact O-CD1 3.47Å; V87-L90 PolarHBondContact O-N 3.33Å; G88-L90 PolarHBondContact O-N 3.2Å; L90-G92 PolarHBondContact O-N 3.05Å; L90-Y93 HydrophobicContact CB-CD2 3.7Å; L90-Y93 HydrophobicContact CB-CE2 4.17Å; L90-Y93 HydrophobicContact CD1-CD2 4.07Å; L90-Y93 HydrophobicContact CD1-CE2 4.03Å; L90-Y93 PolarHBondContact O-N 2.94Å; L90-L138 HydrophobicContact CD1-CD1 3.2Å; L90-L138 HydrophobicContact CD1-CD2 3.08Å; L90-L138 HydrophobicContact CD1-CG 3.66Å; L90-L138 HydrophobicContact CD2-CD2 3.68Å; L90-L138 HydrophobicContact CG-CD2 3.96Å |
| 91 | K | 77.8 | Confident | 85.4 | Confident | 210 Ų | 210 | 40.5 Ų | 40.5 | 91% | 0.913 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | 128.1 | 175.9 | -170.8 | 177.7 | 179.3 | -179.6 | 0 | 110.4 | ||
| 92 | G | 76.8 | Confident | 85.8 | Confident | 28 Ų | 28 | 40.4 Ų | 40.4 | 29% | 0.289 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 19.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L90 K131 H238 | L90-G92 PolarHBondContact O-N 3.05Å; G92-K131 PolarHBondContact O-NZ 3.43Å; G92-H238 PolarHBondContact O-ND1 3.43Å |
| 93 | Y | 83.5 | Confident | 86.3 | Confident | 17 Ų | 17 | 38.2 Ų | 38.2 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -114.2 | 164.2 | 164.2 | -72.5 | -89.6 | 0 | 0 | 0 | 110.1 | V87 L90 L135 | V87-Y93 HydrophobicContact CB-CD1 3.93Å; V87-Y93 HydrophobicContact CB-CE1 4.46Å; V87-Y93 HydrophobicContact CB-CG 4.08Å; V87-Y93 HydrophobicContact CG2-CD1 4.05Å; V87-Y93 HydrophobicContact CG2-CG 4.36Å; V87-Y93 WeakPolarHBondContact O-CB 3.37Å; L90-Y93 HydrophobicContact CB-CD2 3.7Å; L90-Y93 HydrophobicContact CB-CE2 4.17Å; L90-Y93 HydrophobicContact CD1-CD2 4.07Å; L90-Y93 HydrophobicContact CD1-CE2 4.03Å; L90-Y93 PolarHBondContact O-N 2.94Å; Y93-L135 HydrophobicContact CE1-CD1 4.29Å |
| 94 | Q | 88.5 | Confident | 86.8 | Confident | 12 Ų | 12 | 38.1 Ų | 38.1 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | trans | -72.6 | 141 | -178.1 | -67.5 | 175.6 | -38.7 | 0 | 0 | 111.9 | G88 Y106 S107 I109 | G88-Q94 WeakPolarHBondContact CA-O 3.3Å; Q94-Y106 HydrophobicContact CB-CD2 3.96Å; Q94-Y106 VanDerWaalsContact CD-CE2 3.4Å; Q94-Y106 HydrophobicContact CG-CD2 4.14Å; Q94-Y106 HydrophobicContact CG-CE2 4.42Å; Q94-Y106 VanDerWaalsContact NE2-CE2 3.34Å; Q94-Y106 VanDerWaalsContact OE1-CE2 3.28Å; Q94-S107 VanDerWaalsContact CA-OG 3.3Å; Q94-S107 WeakPolarHBondContact CA-OG 3.38Å; Q94-I109 HydrophobicContact CG-CD1 3.51Å; Q94-I109 HydrophobicContact CG-CG1 3.83Å | ||
| 95 | R | 90.2 | Very high | 87.2 | Confident | 103 Ų | 103 | 37.9 Ų | 37.9 | 39% | 0.389 | 18% | 0.183 | S | C | . | . | trans | -112.4 | 128.8 | 177.6 | -179.5 | 177.2 | 178.2 | 160.7 | 8.5 | 110.4 | Y97 Y106 S107 | R95-Y97 HydrophobicContact CG-CE1 4.45Å; R95-Y106 CarbonylContact O-C 3.57Å; R95-Y106 WeakPolarHBondContact O-CA 3.41Å; R95-Y106 WeakPolarHBondContact O-CB 3.28Å; R95-S107 PolarHBondContact N-OG 3.31Å; R95-S107 PolarHBondContact O-N 3.12Å | ||
| 96 | I | 91.7 | Very high | 87.7 | Confident | 9 Ų | 9 | 35.4 Ų | 35.4 | 5% | 0.046 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 133.5 | 170.4 | -59.6 | 179.5 | 0 | 0 | 0 | 109.5 | I6 I84 Q85 I99 F104 | I6-I96 HydrophobicContact CD1-CB 3.58Å; I6-I96 HydrophobicContact CD1-CG2 3.61Å; I6-I96 HydrophobicContact CG2-CG2 3.73Å; I84-I96 HydrophobicContact CB-CD1 3.94Å; I84-I96 HydrophobicContact CB-CG1 4.22Å; I84-I96 HydrophobicContact CG2-CD1 3.87Å; I84-I96 HydrophobicContact CG2-CG1 3.56Å; Q85-I96 HydrophobicContact CG-CD1 4.19Å; I96-I99 HydrophobicContact CG2-CG1 4.28Å; I96-F104 HydrophobicContact CD1-CD2 4.4Å; I96-F104 HydrophobicContact CG1-CD2 4.27Å; I96-F104 HydrophobicContact CG2-CB 4.37Å |
| 97 | Y | 93 | Very high | 88.3 | Confident | 49 Ų | 49 | 35.7 Ų | 35.7 | 19% | 0.192 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -34.1 | 175.4 | -61.9 | -58.1 | 0 | 0 | 0 | 113 | P7 L29 F30 L62 R95 V105 S107 | P7-Y97 VanDerWaalsContact CD-O 3.28Å; P7-Y97 WeakPolarHBondContact CD-O 3.38Å; P7-Y97 VanDerWaalsContact CG-O 3.27Å; P7-Y97 WeakPolarHBondContact CG-O 3.37Å; L29-Y97 WeakPolarHBondContact CD2-O 3.4Å; F30-Y97 HydrophobicContact CE2-CD2 4.24Å; F30-Y97 HydrophobicContact CE2-CG 4.27Å; F30-Y97 AromaticContact CZ-CD1 3.89Å; F30-Y97 HydrophobicContact CZ-CD1 3.89Å; F30-Y97 AromaticContact CZ-CD2 3.71Å; F30-Y97 HydrophobicContact CZ-CD2 3.71Å; F30-Y97 HydrophobicContact CZ-CE1 4.26Å; F30-Y97 HydrophobicContact CZ-CE2 4.07Å; F30-Y97 AromaticContact CZ-CG 3.6Å; F30-Y97 HydrophobicContact CZ-CG 3.6Å; L62-Y97 HydrophobicContact CD2-CD2 3.65Å; L62-Y97 HydrophobicContact CD2-CE2 3.27Å; R95-Y97 HydrophobicContact CG-CE1 4.45Å; Y97-V105 HydrophobicContact CD2-CG1 4.47Å; Y97-V105 PolarHBondContact N-O 3.35Å; Y97-S107 VanDerWaalsContact CE2-N 3.33Å; Y97-S107 WeakPolarHBondContact OH-CB 3.45Å |
| 98 | G | 93.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 156.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P7 F104 V105 | P7-G98 WeakPolarHBondContact O-CA 3.43Å; G98-F104 CarbonylContact O-C 3.52Å; G98-F104 VanDerWaalsContact O-CA 3.31Å; G98-F104 WeakPolarHBondContact O-CA 3.48Å; G98-F104 WeakPolarHBondContact O-CB 3.43Å; G98-V105 PolarHBondContact N-O 3.32Å; G98-V105 PolarHBondContact O-N 3.49Å |
| 99 | I | 93.6 | Very high | 89 | Confident | 28 Ų | 28 | 38.5 Ų | 38.5 | 14% | 0.144 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 144.4 | 178.5 | -60.7 | 162.4 | 0 | 0 | 0 | 108.3 | I6 P7 Y8 F9 M81 I96 F104 | I6-I99 HydrophobicContact CB-CD1 4.25Å; I6-I99 HydrophobicContact CG2-CD1 3.89Å; I6-I99 HydrophobicContact CG2-CG1 3.86Å; P7-I99 PolarHBondContact O-N 3.21Å; Y8-I99 CarbonylContact C-O 3.59Å; Y8-I99 WeakPolarHBondContact CA-O 3.46Å; Y8-I99 HydrophobicContact CD2-CB 4.33Å; Y8-I99 HydrophobicContact CD2-CG2 4.01Å; Y8-I99 HydrophobicContact CE2-CG2 4.45Å; F9-I99 WeakPolarHBondContact CD2-O 3.14Å; F9-I99 PolarHBondContact N-O 3.39Å; M81-I99 HydrophobicContact SD-CD1 3.91Å; M81-I99 HydrophobicContact SD-CG1 4.18Å; M81-I99 HydrophobicContact SD-CG2 4.09Å; I96-I99 HydrophobicContact CG2-CG1 4.28Å; I99-F104 HydrophobicContact CG1-CB 4.22Å |
| 100 | F | 94 | Very high | 89.5 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 176.8 | 174.7 | 59.1 | -91.7 | 0 | 0 | 0 | 110.3 | F9 L11 I13 L25 I64 R65 I66 N102 G103 F104 V105 | F9-F100 HydrophobicContact CB-CB 4.49Å; F9-F100 VanDerWaalsContact O-CA 3.31Å; F9-F100 WeakPolarHBondContact O-CA 3.42Å; L11-F100 WeakPolarHBondContact O-CB 3.41Å; I13-F100 HydrophobicContact CB-CE2 4.16Å; I13-F100 HydrophobicContact CD1-CD2 4.42Å; I13-F100 HydrophobicContact CD1-CE1 4.29Å; I13-F100 HydrophobicContact CD1-CE2 4.13Å; I13-F100 HydrophobicContact CD1-CZ 4.06Å; I13-F100 HydrophobicContact CG1-CD2 4.31Å; I13-F100 HydrophobicContact CG1-CE2 4.16Å; L25-F100 HydrophobicContact CD2-CD1 3.53Å; L25-F100 HydrophobicContact CD2-CE1 3.86Å; L25-F100 HydrophobicContact CD2-CG 4.17Å; I64-F100 HydrophobicContact CG2-CE1 3.78Å; I64-F100 HydrophobicContact CG2-CZ 3.58Å; R65-F100 WeakPolarHBondContact O-CZ 3.49Å; I66-F100 HydrophobicContact CG1-CE2 4.42Å; I66-F100 HydrophobicContact CG1-CZ 4.24Å; F100-N102 WeakPolarHBondContact CD2-OD1 3.46Å; F100-N102 WeakPolarHBondContact CE2-OD1 2.95Å; F100-N102 PolarHBondContact O-N 3.27Å; F100-G103 WeakPolarHBondContact CD1-O 3.32Å; F100-G103 VanDerWaalsContact CE2-CA 3.47Å; F100-G103 VanDerWaalsContact CE2-N 3.35Å; F100-G103 VanDerWaalsContact CZ-C 3.45Å; F100-G103 VanDerWaalsContact CZ-CA 3.44Å; F100-G103 PolarHBondContact N-O 3.29Å; F100-G103 PolarHBondContact O-N 3.49Å; F100-G103 VanDerWaalsContact O-O 3.07Å; F100-F104 VanDerWaalsContact CE1-CA 3.48Å; F100-V105 HydrophobicContact CD1-CG2 4.35Å; F100-V105 HydrophobicContact CE1-CG2 4.13Å |
| 101 | N | 92 | Very high | 90.3 | Very high | 60 Ų | 60 | 36.5 Ų | 36.5 | 32% | 0.321 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -35.2 | -165.9 | -66.9 | -11.8 | 0 | 0 | 0 | 114 | Y8 N10 L11 T12 | Y8-N101 PolarHBondContact OH-OD1 3.3Å; N10-N101 PolarHBondContact OD1-ND2 2.97Å; N10-N101 PolarHBondContact OD1-OD1 3.42Å; L11-N101 VanDerWaalsContact O-CB 3.23Å; L11-N101 WeakPolarHBondContact O-CB 3.46Å; L11-N101 VanDerWaalsContact O-CG 3.27Å; L11-N101 PolarHBondContact O-N 3.49Å; L11-N101 PolarHBondContact O-ND2 2.82Å; T12-N101 WeakPolarHBondContact OG1-CB 3.48Å; T12-N101 PolarHBondContact OG1-ND2 2.87Å; T12-N101 VanDerWaalsContact OG1-ND2 3.11Å |
| 102 | N | 91.3 | Very high | 91 | Very high | 35 Ų | 35 | 32.1 Ų | 32.1 | 19% | 0.187 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | 29.4 | -176 | 66.8 | -34.9 | 0 | 0 | 0 | 113 | T12 I13 I66 Y67 F100 | T12-N102 WeakPolarHBondContact CA-OD1 3.13Å; I13-N102 PolarHBondContact N-OD1 3.19Å; I13-N102 PolarHBondContact O-ND2 2.86Å; I66-N102 WeakPolarHBondContact CA-O 3.26Å; I66-N102 WeakPolarHBondContact CG2-ND2 3.46Å; Y67-N102 WeakPolarHBondContact CD2-O 3.38Å; Y67-N102 PolarHBondContact N-O 3.41Å; F100-N102 WeakPolarHBondContact CD2-OD1 3.46Å; F100-N102 WeakPolarHBondContact CE2-OD1 2.95Å; F100-N102 PolarHBondContact O-N 3.27Å |
| 103 | G | 92 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.9 | -164 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | R65 F100 | R65-G103 CarbonylContact O-C 3.52Å; R65-G103 WeakPolarHBondContact O-CA 3.36Å; F100-G103 WeakPolarHBondContact CD1-O 3.32Å; F100-G103 VanDerWaalsContact CE2-CA 3.47Å; F100-G103 VanDerWaalsContact CE2-N 3.35Å; F100-G103 VanDerWaalsContact CZ-C 3.45Å; F100-G103 VanDerWaalsContact CZ-CA 3.44Å; F100-G103 PolarHBondContact N-O 3.29Å; F100-G103 PolarHBondContact O-N 3.49Å; F100-G103 VanDerWaalsContact O-O 3.07Å |
| 104 | F | 93.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 159.9 | 178.5 | 57.3 | -96 | 0 | 0 | 0 | 113.2 | R65 Y67 M81 I84 I96 G98 I99 F100 Y106 | R65-F104 HydrophobicContact CB-CD2 4.47Å; R65-F104 HydrophobicContact CB-CE1 4.5Å; R65-F104 HydrophobicContact CB-CE2 4.15Å; R65-F104 HydrophobicContact CB-CZ 4.18Å; R65-F104 HydrophobicContact CG-CE1 4.38Å; R65-F104 HydrophobicContact CG-CZ 4.27Å; R65-F104 PolarHBondContact N-O 2.83Å; R65-F104 PolarHBondContact O-N 3.47Å; Y67-F104 AromaticContact CE1-CD1 3.93Å; Y67-F104 HydrophobicContact CE1-CD1 3.93Å; Y67-F104 AromaticContact CE1-CE1 3.75Å; Y67-F104 HydrophobicContact CE1-CE1 3.75Å; Y67-F104 AromaticContact CZ-CD1 3.95Å; Y67-F104 WeakPolarHBondContact OH-CD1 3.22Å; M81-F104 HydrophobicContact CG-CD1 4.24Å; M81-F104 HydrophobicContact CG-CE1 4.42Å; I84-F104 HydrophobicContact CD1-CE1 4.34Å; I84-F104 HydrophobicContact CD1-CE2 3.85Å; I84-F104 HydrophobicContact CD1-CZ 3.45Å; I84-F104 VanDerWaalsContact CD1-CZ 3.45Å; I96-F104 HydrophobicContact CD1-CD2 4.4Å; I96-F104 HydrophobicContact CG1-CD2 4.27Å; I96-F104 HydrophobicContact CG2-CB 4.37Å; G98-F104 CarbonylContact O-C 3.52Å; G98-F104 VanDerWaalsContact O-CA 3.31Å; G98-F104 WeakPolarHBondContact O-CA 3.48Å; G98-F104 WeakPolarHBondContact O-CB 3.43Å; I99-F104 HydrophobicContact CG1-CB 4.22Å; F100-F104 VanDerWaalsContact CE1-CA 3.48Å; F104-Y106 AromaticContact CD2-CD1 3.67Å; F104-Y106 HydrophobicContact CD2-CD1 3.67Å; F104-Y106 HydrophobicContact CD2-CE1 4.34Å; F104-Y106 HydrophobicContact CD2-CG 4.11Å; F104-Y106 AromaticContact CE2-CD1 3.57Å; F104-Y106 HydrophobicContact CE2-CD1 3.57Å; F104-Y106 HydrophobicContact CE2-CD2 4.46Å; F104-Y106 AromaticContact CE2-CE1 3.93Å; F104-Y106 HydrophobicContact CE2-CE1 3.93Å; F104-Y106 AromaticContact CE2-CG 3.9Å; F104-Y106 HydrophobicContact CE2-CG 3.9Å |
| 105 | V | 94.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 133.4 | 175 | -171.3 | 0 | 0 | 0 | 0 | 109.3 | L25 I26 L29 L62 L63 I64 Y97 G98 F100 | L25-V105 HydrophobicContact CD2-CG2 3.52Å; L25-V105 HydrophobicContact CG-CG2 4.05Å; I26-V105 HydrophobicContact CD1-CG1 4.43Å; L29-V105 HydrophobicContact CD1-CB 3.75Å; L29-V105 HydrophobicContact CD1-CG1 4.02Å; L29-V105 HydrophobicContact CD1-CG2 3.68Å; L62-V105 HydrophobicContact CB-CG1 4.29Å; L63-V105 CarbonylContact O-C 3.52Å; L63-V105 VanDerWaalsContact O-CA 3.26Å; L63-V105 WeakPolarHBondContact O-CA 3.48Å; I64-V105 HydrophobicContact CG1-CG2 4.2Å; Y97-V105 HydrophobicContact CD2-CG1 4.47Å; Y97-V105 PolarHBondContact N-O 3.35Å; G98-V105 PolarHBondContact N-O 3.32Å; G98-V105 PolarHBondContact O-N 3.49Å; F100-V105 HydrophobicContact CD1-CG2 4.35Å; F100-V105 HydrophobicContact CE1-CG2 4.13Å |
| 106 | Y | 93.2 | Very high | 92.9 | Very high | 9 Ų | 9 | 32.7 Ų | 32.7 | 4% | 0.035 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 165.8 | -175.4 | 65 | -63.7 | 0 | 0 | 0 | 111.8 | L51 L63 R65 Q94 R95 F104 Y108 | L51-Y106 WeakPolarHBondContact CD2-OH 3.5Å; L63-Y106 HydrophobicContact CB-CD1 3.73Å; L63-Y106 HydrophobicContact CB-CE1 3.28Å; L63-Y106 HydrophobicContact CB-CE2 4.18Å; L63-Y106 HydrophobicContact CB-CG 4.32Å; L63-Y106 HydrophobicContact CD1-CE1 4.25Å; L63-Y106 HydrophobicContact CD1-CE2 3.78Å; L63-Y106 HydrophobicContact CG-CE1 4.39Å; L63-Y106 PolarHBondContact N-O 2.88Å; L63-Y106 VanDerWaalsContact O-CD1 3.24Å; L63-Y106 WeakPolarHBondContact O-CD1 3.32Å; L63-Y106 PolarHBondContact O-N 2.88Å; R65-Y106 HydrophobicContact CB-CD1 4.48Å; R65-Y106 HydrophobicContact CB-CE1 3.72Å; Q94-Y106 HydrophobicContact CB-CD2 3.96Å; Q94-Y106 VanDerWaalsContact CD-CE2 3.4Å; Q94-Y106 HydrophobicContact CG-CD2 4.14Å; Q94-Y106 HydrophobicContact CG-CE2 4.42Å; Q94-Y106 VanDerWaalsContact NE2-CE2 3.34Å; Q94-Y106 VanDerWaalsContact OE1-CE2 3.28Å; R95-Y106 CarbonylContact O-C 3.57Å; R95-Y106 WeakPolarHBondContact O-CA 3.41Å; R95-Y106 WeakPolarHBondContact O-CB 3.28Å; F104-Y106 AromaticContact CD2-CD1 3.67Å; F104-Y106 HydrophobicContact CD2-CD1 3.67Å; F104-Y106 HydrophobicContact CD2-CE1 4.34Å; F104-Y106 HydrophobicContact CD2-CG 4.11Å; F104-Y106 AromaticContact CE2-CD1 3.57Å; F104-Y106 HydrophobicContact CE2-CD1 3.57Å; F104-Y106 HydrophobicContact CE2-CD2 4.46Å; F104-Y106 AromaticContact CE2-CE1 3.93Å; F104-Y106 HydrophobicContact CE2-CE1 3.93Å; F104-Y106 AromaticContact CE2-CG 3.9Å; F104-Y106 HydrophobicContact CE2-CG 3.9Å; Y106-Y108 PolarHBondContact O-N 3.31Å |
| 107 | S | 92.4 | Very high | 93.1 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 11% | 0.112 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 131.7 | -178.9 | 60 | 0 | 0 | 0 | 0 | 112.4 | Q94 R95 Y97 | Q94-S107 VanDerWaalsContact CA-OG 3.3Å; Q94-S107 WeakPolarHBondContact CA-OG 3.38Å; R95-S107 PolarHBondContact N-OG 3.31Å; R95-S107 PolarHBondContact O-N 3.12Å; Y97-S107 VanDerWaalsContact CE2-N 3.33Å; Y97-S107 WeakPolarHBondContact OH-CB 3.45Å |
| 108 | Y | 91.8 | Very high | 93.2 | Very high | 56 Ų | 56 | 41.3 Ų | 41.3 | 22% | 0.22 | 21% | 0.213 | C | C | . | . | trans | -72.4 | 140.1 | 166.5 | -178.8 | -104.1 | 0 | 0 | 0 | 110.2 | L43 R53 S61 L63 Y106 D110 | L43-Y108 HydrophobicContact CD1-CE2 4.49Å; R53-Y108 HydrophobicContact CG-CD2 4.43Å; R53-Y108 VanDerWaalsContact NH1-CZ 3.28Å; R53-Y108 PolarHBondContact NH1-OH 2.73Å; S61-Y108 VanDerWaalsContact O-CB 3.28Å; S61-Y108 WeakPolarHBondContact O-CB 3.37Å; S61-Y108 PolarHBondContact O-N 3.18Å; L63-Y108 HydrophobicContact CD1-CD2 3.9Å; L63-Y108 HydrophobicContact CD2-CD2 3.85Å; L63-Y108 HydrophobicContact CD2-CE2 4.49Å; L63-Y108 HydrophobicContact CG-CD2 3.78Å; L63-Y108 HydrophobicContact CG-CG 4.5Å; Y106-Y108 PolarHBondContact O-N 3.31Å; Y108-D110 HydrophobicContact CE1-CB 4.2Å | ||
| 109 | I | 90.4 | Very high | 93.2 | Very high | 22 Ų | 22 | 41.3 Ų | 41.3 | 11% | 0.113 | 21% | 0.213 | C | C | . | . | trans | -105.7 | 123.5 | 171.1 | -63.7 | -174.6 | 0 | 0 | 0 | 107.3 | Q94 I229 H238 I240 | Q94-I109 HydrophobicContact CG-CD1 3.51Å; Q94-I109 HydrophobicContact CG-CG1 3.83Å; I109-I229 HydrophobicContact CG2-CB 4.38Å; I109-I229 HydrophobicContact CG2-CG2 4.04Å; I109-H238 HydrophobicContact CD1-CB 3.77Å; I109-H238 HydrophobicContact CG2-CB 3.85Å; I109-I240 HydrophobicContact CD1-CG2 4.09Å | ||
| 110 | D | 90.3 | Very high | 93.3 | Very high | 98 Ų | 98 | 43 Ų | 43 | 52% | 0.524 | 23% | 0.227 | S | C | . | . | trans | -78.1 | 144.6 | 178 | -165.6 | 35.4 | 0 | 0 | 0 | 111.9 | Y108 | Y108-D110 HydrophobicContact CE1-CB 4.2Š| ||
| 111 | G | 92.6 | Very high | 93.4 | Very high | 10 Ų | 10 | 46.2 Ų | 46.2 | 10% | 0.103 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 136.1 | -169.3 | -173 | 0 | 0 | 0 | 0 | 0 | 112.9 | L230 | G111-L230 VanDerWaalsContact CA-O 3.23Å; G111-L230 WeakPolarHBondContact CA-O 3.43Å |
| 112 | N | 93.3 | Very high | 93.7 | Very high | 118 Ų | 118 | 45 Ų | 45 | 63% | 0.631 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 146.5 | 177.3 | -62.9 | -79.8 | 0 | 0 | 0 | 109.7 | I114 L230 | N112-I114 PolarHBondContact O-N 3.32Å; N112-L230 PolarHBondContact N-O 3.11Å; N112-L230 VanDerWaalsContact N-O 3.11Å; N112-L230 PolarHBondContact O-N 3.08Å |
| 113 | D | 93.8 | Very high | 93.9 | Very high | 45 Ų | 45 | 48.2 Ų | 48.2 | 24% | 0.241 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.2 | 139.7 | 169.2 | -42.9 | 8.5 | 0 | 0 | 0 | 109.7 | K45 I228 I229 | K45-D113 WeakPolarHBondContact CD-OD2 3.43Å; K45-D113 WeakPolarHBondContact CE-OD2 3.46Å; K45-D113 IonicContact NZ-OD1 2.77Å; K45-D113 PolarHBondContact NZ-OD1 3.4Å; K45-D113 IonicContact NZ-OD2 3.74Å; K45-D113 PolarHBondContact NZ-OD2 3.28Å; D113-I228 CarbonylContact C-O 3.58Å; D113-I228 WeakPolarHBondContact CA-O 3.48Å; D113-I229 WeakPolarHBondContact OD1-CD1 3.48Å |
| 114 | I | 95.7 | Very high | 94.2 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 141.3 | 176.9 | -163.2 | 170.2 | 0 | 0 | 0 | 110.1 | N112 K118 L119 Y124 I128 A225 I228 | N112-I114 PolarHBondContact O-N 3.32Å; I114-K118 HydrophobicContact CD1-CB 3.89Å; I114-K118 HydrophobicContact CG1-CB 3.49Å; I114-K118 VanDerWaalsContact CG1-CB 3.49Å; I114-K118 HydrophobicContact CG1-CD 4.34Å; I114-L119 HydrophobicContact CD1-CD2 4.1Å; I114-L119 HydrophobicContact CD1-CG 4.3Å; I114-L119 HydrophobicContact CG1-CG 4.42Å; I114-L119 HydrophobicContact CG2-CD1 4.22Å; I114-L119 HydrophobicContact CG2-CD2 3.78Å; I114-L119 HydrophobicContact CG2-CG 3.79Å; I114-Y124 HydrophobicContact CD1-CD1 4.48Å; I114-Y124 HydrophobicContact CD1-CG 4.21Å; I114-I128 HydrophobicContact CD1-CD1 3.93Å; I114-A225 HydrophobicContact CG2-CB 4.19Å; I114-A225 WeakPolarHBondContact CG2-O 3.49Å; I114-I228 HydrophobicContact CB-CB 4.46Å; I114-I228 HydrophobicContact CB-CG2 4.25Å; I114-I228 HydrophobicContact CG2-CB 3.73Å; I114-I228 HydrophobicContact CG2-CD1 4.2Å; I114-I228 HydrophobicContact CG2-CG2 3.92Å; I114-I228 PolarHBondContact N-O 2.95Å |
| 115 | T | 95.2 | Very high | 94.5 | Very high | 68 Ų | 68 | 49.5 Ų | 49.5 | 42% | 0.417 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 157.4 | 175.1 | 60.6 | 0 | 0 | 0 | 0 | 110.7 | E117 K118 L119 | T115-E117 PolarHBondContact O-N 3.46Å; T115-K118 PolarHBondContact O-N 2.69Å; T115-K118 VanDerWaalsContact O-N 3.08Å; T115-K118 WeakPolarHBondContact OG1-CG 3.42Å; T115-K118 PolarHBondContact OG1-N 3.44Å; T115-L119 PolarHBondContact O-N 2.88Å |
| 116 | L | 93.8 | Very high | 94.6 | Very high | 54 Ų | 54 | 55.1 Ų | 55.1 | 28% | 0.283 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.9 | -38.8 | 173.4 | -65.2 | 176 | 0 | 0 | 0 | 112 | K118 L119 S120 A225 | L116-K118 VanDerWaalsContact C-N 3.33Å; L116-K118 PolarHBondContact O-N 3.25Å; L116-L119 HydrophobicContact CD2-CD1 4.1Å; L116-L119 WeakPolarHBondContact O-CB 3Å; L116-L119 PolarHBondContact O-N 2.85Å; L116-S120 PolarHBondContact O-N 3.08Å; L116-S120 VanDerWaalsContact O-N 3.12Å; L116-S120 PolarHBondContact O-OG 3.47Å; L116-A225 HydrophobicContact CD2-CB 4.4Å |
| 117 | E | 94.8 | Very high | 94.9 | Very high | 164 Ų | 164 | 56.2 Ų | 56.2 | 77% | 0.766 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -56.8 | -46.2 | 174.1 | -176.7 | -171.2 | 174.9 | 0 | 0 | 111.9 | T115 S120 D121 | T115-E117 PolarHBondContact O-N 3.46Å; E117-S120 PolarHBondContact O-N 2.99Å; E117-D121 PolarHBondContact O-N 3.13Å |
| 118 | K | 96.1 | Very high | 95.1 | Very high | 74 Ų | 74 | 55.4 Ų | 55.4 | 32% | 0.322 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -71.4 | -31.5 | 178.5 | -74.8 | -179.3 | 176.7 | 174.2 | 0 | 112.4 | I114 T115 L116 S120 D121 Y124 L230 | I114-K118 HydrophobicContact CD1-CB 3.89Å; I114-K118 HydrophobicContact CG1-CB 3.49Å; I114-K118 VanDerWaalsContact CG1-CB 3.49Å; I114-K118 HydrophobicContact CG1-CD 4.34Å; T115-K118 PolarHBondContact O-N 2.69Å; T115-K118 VanDerWaalsContact O-N 3.08Å; T115-K118 WeakPolarHBondContact OG1-CG 3.42Å; T115-K118 PolarHBondContact OG1-N 3.44Å; L116-K118 VanDerWaalsContact C-N 3.33Å; L116-K118 PolarHBondContact O-N 3.25Å; K118-S120 VanDerWaalsContact C-N 3.29Å; K118-S120 PolarHBondContact O-N 3.37Å; K118-D121 PolarHBondContact O-N 3.35Å; K118-Y124 HydrophobicContact CB-CD2 3.79Å; K118-Y124 HydrophobicContact CB-CE2 3.99Å; K118-Y124 HydrophobicContact CB-CG 4.21Å; K118-Y124 HydrophobicContact CD-CE1 4.32Å; K118-Y124 HydrophobicContact CD-CE2 4.1Å; K118-Y124 HydrophobicContact CG-CD2 4.05Å; K118-Y124 HydrophobicContact CG-CE2 3.7Å; K118-Y124 WeakPolarHBondContact O-CB 3.48Å; K118-Y124 WeakPolarHBondContact O-CD2 3.27Å; K118-L230 HydrophobicContact CD-CD2 3.98Å |
| 119 | L | 94.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.2 | -43.1 | 172.2 | -78.6 | 172.7 | 0 | 0 | 0 | 111.2 | I114 T115 L116 D121 I128 A225 I228 F261 Y277 | I114-L119 HydrophobicContact CD1-CD2 4.1Å; I114-L119 HydrophobicContact CD1-CG 4.3Å; I114-L119 HydrophobicContact CG1-CG 4.42Å; I114-L119 HydrophobicContact CG2-CD1 4.22Å; I114-L119 HydrophobicContact CG2-CD2 3.78Å; I114-L119 HydrophobicContact CG2-CG 3.79Å; T115-L119 PolarHBondContact O-N 2.88Å; L116-L119 HydrophobicContact CD2-CD1 4.1Å; L116-L119 WeakPolarHBondContact O-CB 3Å; L116-L119 PolarHBondContact O-N 2.85Å; L119-D121 PolarHBondContact O-N 2.92Å; L119-I128 HydrophobicContact CD2-CD1 3.53Å; L119-A225 HydrophobicContact CD1-CB 3.5Å; L119-A225 VanDerWaalsContact CD1-CB 3.5Å; L119-I228 HydrophobicContact CD2-CD1 4.02Å; L119-F261 HydrophobicContact CB-CD1 4.35Å; L119-F261 HydrophobicContact CB-CE1 4.05Å; L119-F261 HydrophobicContact CB-CZ 4.14Å; L119-F261 VanDerWaalsContact O-CE1 3.25Å; L119-F261 WeakPolarHBondContact O-CE1 3.4Å; L119-Y277 PolarHBondContact O-OH 3.39Å |
| 120 | S | 94.4 | Very high | 95.7 | Very high | 62 Ų | 62 | 56.5 Ų | 56.5 | 43% | 0.434 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70.4 | -13.5 | 177.8 | -61.2 | 0 | 0 | 0 | 0 | 114.4 | L116 E117 K118 Y277 | L116-S120 PolarHBondContact O-N 3.08Å; L116-S120 VanDerWaalsContact O-N 3.12Å; L116-S120 PolarHBondContact O-OG 3.47Å; E117-S120 PolarHBondContact O-N 2.99Å; K118-S120 VanDerWaalsContact C-N 3.29Å; K118-S120 PolarHBondContact O-N 3.37Å; S120-Y277 VanDerWaalsContact O-CE2 3.29Å; S120-Y277 WeakPolarHBondContact O-CE2 3.45Å |
| 121 | D | 96.9 | Very high | 96 | Very high | 71 Ų | 71 | 52.5 Ų | 52.5 | 38% | 0.38 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -86.2 | 119.1 | 172.4 | 174.1 | -0.2 | 0 | 0 | 0 | 110.8 | E117 K118 L119 K123 Y124 G125 | E117-D121 PolarHBondContact O-N 3.13Å; K118-D121 PolarHBondContact O-N 3.35Å; L119-D121 PolarHBondContact O-N 2.92Å; D121-K123 PolarHBondContact O-N 3.31Å; D121-K123 VanDerWaalsContact O-N 3.1Å; D121-K123 VanDerWaalsContact OD1-CB 3.24Å; D121-K123 WeakPolarHBondContact OD1-CB 3.21Å; D121-K123 PolarHBondContact OD1-N 2.96Å; D121-Y124 HydrophobicContact CB-CD2 3.92Å; D121-Y124 HydrophobicContact CB-CE2 4.39Å; D121-Y124 PolarHBondContact O-N 3.08Å; D121-G125 PolarHBondContact O-N 3.44Å |
| 122 | I | 96.9 | Very high | 96.2 | Very high | 36 Ų | 36 | 52 Ų | 52 | 19% | 0.185 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -23.2 | -176.5 | -164.1 | 51.5 | 0 | 0 | 0 | 113.6 | Y124 G125 R126 Y277 E280 W281 | I122-Y124 VanDerWaalsContact C-N 3.31Å; I122-Y124 PolarHBondContact O-N 3.02Å; I122-G125 PolarHBondContact O-N 2.9Å; I122-R126 HydrophobicContact CG1-CG 4.44Å; I122-R126 WeakPolarHBondContact O-CB 3.46Å; I122-R126 WeakPolarHBondContact O-CD 3.33Å; I122-R126 WeakPolarHBondContact O-CG 3.47Å; I122-R126 PolarHBondContact O-N 3.2Å; I122-Y277 HydrophobicContact CB-CD2 4.36Å; I122-Y277 HydrophobicContact CB-CE2 4Å; I122-Y277 HydrophobicContact CD1-CD2 4.13Å; I122-Y277 HydrophobicContact CD1-CE1 4.4Å; I122-Y277 HydrophobicContact CD1-CE2 3.83Å; I122-Y277 HydrophobicContact CG1-CE2 4.44Å; I122-E280 HydrophobicContact CD1-CB 4.1Å; I122-E280 HydrophobicContact CD1-CG 4.09Å; I122-E280 HydrophobicContact CG1-CB 4.33Å; I122-E280 HydrophobicContact CG1-CG 3.95Å; I122-E280 WeakPolarHBondContact CG1-OE1 3.45Å; I122-W281 HydrophobicContact CD1-CB 4.39Å |
| 123 | K | 97.4 | Very high | 96.3 | Very high | 101 Ų | 101 | 46.4 Ų | 46.4 | 44% | 0.439 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -54.6 | -49.8 | 170.5 | 177.3 | -169.8 | 169.6 | -173.3 | 0 | 110.6 | D121 | D121-K123 PolarHBondContact O-N 3.31Å; D121-K123 VanDerWaalsContact O-N 3.1Å; D121-K123 VanDerWaalsContact OD1-CB 3.24Å; D121-K123 WeakPolarHBondContact OD1-CB 3.21Å; D121-K123 PolarHBondContact OD1-N 2.96Å |
| 124 | Y | 98.1 | Very high | 96.3 | Very high | 28 Ų | 28 | 47.1 Ų | 47.1 | 11% | 0.11 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -78.8 | -35 | 179.6 | -58.1 | -79.1 | 0 | 0 | 0 | 111.3 | I114 K118 D121 I122 R126 L127 I128 L230 | I114-Y124 HydrophobicContact CD1-CD1 4.48Å; I114-Y124 HydrophobicContact CD1-CG 4.21Å; K118-Y124 HydrophobicContact CB-CD2 3.79Å; K118-Y124 HydrophobicContact CB-CE2 3.99Å; K118-Y124 HydrophobicContact CB-CG 4.21Å; K118-Y124 HydrophobicContact CD-CE1 4.32Å; K118-Y124 HydrophobicContact CD-CE2 4.1Å; K118-Y124 HydrophobicContact CG-CD2 4.05Å; K118-Y124 HydrophobicContact CG-CE2 3.7Å; K118-Y124 WeakPolarHBondContact O-CB 3.48Å; K118-Y124 WeakPolarHBondContact O-CD2 3.27Å; D121-Y124 HydrophobicContact CB-CD2 3.92Å; D121-Y124 HydrophobicContact CB-CE2 4.39Å; D121-Y124 PolarHBondContact O-N 3.08Å; I122-Y124 VanDerWaalsContact C-N 3.31Å; I122-Y124 PolarHBondContact O-N 3.02Å; Y124-R126 PolarHBondContact O-N 3.39Å; Y124-L127 HydrophobicContact CD1-CD1 4.25Å; Y124-L127 WeakPolarHBondContact O-CA 3.2Å; Y124-L127 WeakPolarHBondContact O-CB 3.33Å; Y124-L127 PolarHBondContact O-N 3.02Å; Y124-I128 WeakPolarHBondContact O-CG1 3.32Å; Y124-I128 PolarHBondContact O-N 2.88Å; Y124-L230 HydrophobicContact CD1-CD1 3.85Å; Y124-L230 HydrophobicContact CD1-CD2 4.37Å; Y124-L230 HydrophobicContact CE1-CD1 3.83Å; Y124-L230 HydrophobicContact CE1-CD2 3.81Å |
| 125 | G | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -50.2 | -45.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D121 I122 L127 I128 A129 Y277 W281 | D121-G125 PolarHBondContact O-N 3.44Å; I122-G125 PolarHBondContact O-N 2.9Å; G125-L127 VanDerWaalsContact C-N 3.35Å; G125-L127 PolarHBondContact O-N 3.29Å; G125-I128 PolarHBondContact O-N 2.9Å; G125-A129 VanDerWaalsContact O-CB 3.28Å; G125-A129 WeakPolarHBondContact O-CB 3.43Å; G125-A129 PolarHBondContact O-N 3.39Å; G125-Y277 WeakPolarHBondContact CA-OH 3.46Å; G125-W281 PolarHBondContact O-NE1 3.06Å |
| 126 | R | 98.2 | Very high | 96.1 | Very high | 118 Ų | 118 | 43.8 Ų | 43.8 | 45% | 0.445 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.7 | -33 | 174.9 | -70 | 164 | 177.4 | 179 | -2.2 | 113.6 | I122 Y124 K130 E280 A284 | I122-R126 HydrophobicContact CG1-CG 4.44Å; I122-R126 WeakPolarHBondContact O-CB 3.46Å; I122-R126 WeakPolarHBondContact O-CD 3.33Å; I122-R126 WeakPolarHBondContact O-CG 3.47Å; I122-R126 PolarHBondContact O-N 3.2Å; Y124-R126 PolarHBondContact O-N 3.39Å; R126-K130 WeakPolarHBondContact O-CB 3.44Å; R126-K130 WeakPolarHBondContact O-CD 3.2Å; R126-K130 VanDerWaalsContact O-CG 3.23Å; R126-K130 WeakPolarHBondContact O-CG 3.39Å; R126-K130 PolarHBondContact O-N 3.26Å; R126-E280 IonicContact CZ-OE1 3.77Å; R126-E280 IonicContact NE-OE1 2.65Å; R126-E280 PolarHBondContact NE-OE1 3.4Å; R126-E280 IonicContact NH2-OE1 3.15Å; R126-E280 PolarHBondContact NH2-OE1 2.82Å; R126-A284 HydrophobicContact CB-CB 4.43Å; R126-A284 HydrophobicContact CG-CB 3.99Å |
| 127 | L | 97.9 | Very high | 96 | Very high | 32 Ų | 32 | 42.8 Ų | 42.8 | 17% | 0.168 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.6 | -44.1 | 175.4 | -63.4 | 179.7 | 0 | 0 | 0 | 110.8 | Y124 G125 K130 K131 N235 V237 | Y124-L127 HydrophobicContact CD1-CD1 4.25Å; Y124-L127 WeakPolarHBondContact O-CA 3.2Å; Y124-L127 WeakPolarHBondContact O-CB 3.33Å; Y124-L127 PolarHBondContact O-N 3.02Å; G125-L127 VanDerWaalsContact C-N 3.35Å; G125-L127 PolarHBondContact O-N 3.29Å; L127-K130 PolarHBondContact O-N 3.15Å; L127-K131 PolarHBondContact O-N 2.77Å; L127-N235 WeakPolarHBondContact CD2-O 3.39Å; L127-V237 HydrophobicContact CB-CG1 4.12Å; L127-V237 HydrophobicContact CB-CG2 4.16Å; L127-V237 HydrophobicContact CD1-CG1 4.4Å |
| 128 | I | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.3 | -48 | 178.8 | -61.1 | 159.4 | 0 | 0 | 0 | 110.2 | I114 L119 Y124 G125 K130 K131 M132 L223 I228 V237 W281 | I114-I128 HydrophobicContact CD1-CD1 3.93Å; L119-I128 HydrophobicContact CD2-CD1 3.53Å; Y124-I128 WeakPolarHBondContact O-CG1 3.32Å; Y124-I128 PolarHBondContact O-N 2.88Å; G125-I128 PolarHBondContact O-N 2.9Å; I128-K130 VanDerWaalsContact C-N 3.29Å; I128-K130 PolarHBondContact O-N 2.85Å; I128-K131 PolarHBondContact O-N 3.02Å; I128-M132 WeakPolarHBondContact O-CB 3.47Å; I128-M132 PolarHBondContact O-N 2.82Å; I128-L223 HydrophobicContact CG2-CD2 3.93Å; I128-I228 HydrophobicContact CD1-CD1 4Å; I128-I228 HydrophobicContact CD1-CG2 4.45Å; I128-I228 HydrophobicContact CG1-CD1 4.25Å; I128-I228 HydrophobicContact CG1-CG2 4.14Å; I128-I228 HydrophobicContact CG2-CD1 4.16Å; I128-V237 HydrophobicContact CG1-CG1 4.45Å; I128-V237 HydrophobicContact CG1-CG2 4.21Å; I128-W281 HydrophobicContact CG2-CZ2 4.2Å |
| 129 | A | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53.6 | -45.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G125 A133 W281 A284 | G125-A129 VanDerWaalsContact O-CB 3.28Å; G125-A129 WeakPolarHBondContact O-CB 3.43Å; G125-A129 PolarHBondContact O-N 3.39Å; A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.46Å; A129-A133 PolarHBondContact O-N 3.24Å; A129-W281 HydrophobicContact CB-CD2 3.91Å; A129-W281 HydrophobicContact CB-CE3 4.17Å; A129-W281 HydrophobicContact CB-CG 4.49Å; A129-W281 HydrophobicContact CB-CH2 4.04Å; A129-W281 HydrophobicContact CB-CZ2 3.82Å; A129-W281 HydrophobicContact CB-CZ3 4.21Å; A129-A284 HydrophobicContact CB-CB 4.1Å |
| 130 | K | 96.4 | Very high | 93.7 | Very high | 100 Ų | 100 | 37.5 Ų | 37.5 | 44% | 0.435 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.1 | -42 | 175.4 | -75.3 | 169.4 | -175.7 | 174.7 | 0 | 112.3 | R126 L127 I128 A133 Q134 A288 | R126-K130 WeakPolarHBondContact O-CB 3.44Å; R126-K130 WeakPolarHBondContact O-CD 3.2Å; R126-K130 VanDerWaalsContact O-CG 3.23Å; R126-K130 WeakPolarHBondContact O-CG 3.39Å; R126-K130 PolarHBondContact O-N 3.26Å; L127-K130 PolarHBondContact O-N 3.15Å; I128-K130 VanDerWaalsContact C-N 3.29Å; I128-K130 PolarHBondContact O-N 2.85Å; K130-A133 PolarHBondContact O-N 2.81Å; K130-Q134 WeakPolarHBondContact O-CG 3.23Å; K130-Q134 PolarHBondContact O-N 2.99Å; K130-A288 HydrophobicContact CB-CB 4.28Å; K130-A288 HydrophobicContact CG-CB 3.83Å |
| 131 | K | 95.7 | Very high | 92.5 | Very high | 15 Ų | 15 | 39.7 Ų | 39.7 | 7% | 0.065 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.5 | -41.5 | -178.8 | -171.9 | 65.6 | 174.8 | -178.5 | 0 | 111.8 | G92 L127 I128 A133 Q134 L135 V237 L239 | G92-K131 PolarHBondContact O-NZ 3.43Å; L127-K131 PolarHBondContact O-N 2.77Å; I128-K131 PolarHBondContact O-N 3.02Å; K131-A133 VanDerWaalsContact C-N 3.35Å; K131-Q134 WeakPolarHBondContact O-CB 3.44Å; K131-Q134 PolarHBondContact O-N 3.41Å; K131-Q134 VanDerWaalsContact O-N 3.16Å; K131-L135 PolarHBondContact O-N 3.49Å; K131-L135 VanDerWaalsContact O-N 3.11Å; K131-V237 HydrophobicContact CB-CG2 3.78Å; K131-V237 WeakPolarHBondContact CD-O 3.35Å; K131-V237 HydrophobicContact CG-CG2 4.18Å; K131-L239 HydrophobicContact CB-CD2 4.32Å; K131-L239 HydrophobicContact CG-CD1 3.98Å; K131-L239 HydrophobicContact CG-CD2 3.76Å; K131-L239 HydrophobicContact CG-CG 3.62Å |
| 132 | M | 97 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 171.8 | -174.8 | -175.4 | -75 | 0 | 0 | 110.8 | I128 Q134 L135 H136 L223 D253 I254 H257 W281 Y285 | I128-M132 WeakPolarHBondContact O-CB 3.47Å; I128-M132 PolarHBondContact O-N 2.82Å; M132-Q134 VanDerWaalsContact C-N 3.27Å; M132-Q134 PolarHBondContact O-N 3.04Å; M132-L135 WeakPolarHBondContact O-CB 3.41Å; M132-L135 PolarHBondContact O-N 3.36Å; M132-L135 VanDerWaalsContact O-N 3.09Å; M132-H136 VanDerWaalsContact CG-CE1 3.46Å; M132-H136 WeakPolarHBondContact CG-CE1 3.42Å; M132-H136 WeakPolarHBondContact CG-NE2 3.33Å; M132-H136 WeakPolarHBondContact O-CB 3.33Å; M132-H136 PolarHBondContact O-CD2 3.01Å; M132-H136 PolarHBondContact O-N 3.29Å; M132-L223 HydrophobicContact CE-CB 4.46Å; M132-L223 HydrophobicContact CE-CD2 3.41Å; M132-L223 VanDerWaalsContact CE-CD2 3.41Å; M132-D253 HydrophobicContact CE-CB 4.29Å; M132-D253 HydrophobicContact SD-CB 4.18Å; M132-I254 HydrophobicContact SD-CG1 3.67Å; M132-H257 HydrophobicContact CE-CB 4.12Å; M132-W281 HydrophobicContact CE-CH2 4.16Å; M132-W281 HydrophobicContact SD-CH2 3.71Å; M132-Y285 HydrophobicContact CG-CE2 4.32Å |
| 133 | A | 95.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.3 | -35.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | A129 K130 K131 C137 Y285 A288 Y292 | A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.46Å; A129-A133 PolarHBondContact O-N 3.24Å; K130-A133 PolarHBondContact O-N 2.81Å; K131-A133 VanDerWaalsContact C-N 3.35Å; A133-C137 WeakPolarHBondContact O-CB 3.49Å; A133-C137 PolarHBondContact O-N 3.14Å; A133-C137 VanDerWaalsContact O-N 3.13Å; A133-C137 PolarHBondContact O-SG 2.89Å; A133-Y285 HydrophobicContact CB-CD2 3.85Å; A133-Y285 HydrophobicContact CB-CE2 3.89Å; A133-A288 HydrophobicContact CB-CB 3.71Å; A133-Y292 HydrophobicContact CB-CD2 4.27Å |
| 134 | Q | 93.1 | Very high | 88 | Confident | 59 Ų | 59 | 35.2 Ų | 35.2 | 28% | 0.276 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.6 | -45.7 | 172.5 | -70.2 | 174.1 | 0.4 | 0 | 0 | 111.7 | K130 K131 M132 H136 C137 L138 Y292 | K130-Q134 WeakPolarHBondContact O-CG 3.23Å; K130-Q134 PolarHBondContact O-N 2.99Å; K131-Q134 WeakPolarHBondContact O-CB 3.44Å; K131-Q134 PolarHBondContact O-N 3.41Å; K131-Q134 VanDerWaalsContact O-N 3.16Å; M132-Q134 VanDerWaalsContact C-N 3.27Å; M132-Q134 PolarHBondContact O-N 3.04Å; Q134-H136 VanDerWaalsContact C-N 3.35Å; Q134-C137 PolarHBondContact O-N 2.56Å; Q134-L138 WeakPolarHBondContact O-CD2 3.36Å; Q134-L138 WeakPolarHBondContact O-CG 3.22Å; Q134-Y292 HydrophobicContact CB-CE2 4.4Å; Q134-Y292 HydrophobicContact CG-CD1 4.33Å; Q134-Y292 HydrophobicContact CG-CD2 3.75Å; Q134-Y292 HydrophobicContact CG-CE1 3.92Å; Q134-Y292 HydrophobicContact CG-CE2 3.27Å; Q134-Y292 HydrophobicContact CG-CG 4.28Å; Q134-Y292 PolarHBondContact NE2-OH 3.01Å |
| 135 | L | 93.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60 | -45.1 | 176.3 | 179.8 | 70.1 | 0 | 0 | 0 | 111.3 | V87 Y93 K131 M132 C137 L138 L218 H220 L239 M242 | V87-L135 HydrophobicContact CG1-CD1 3.88Å; Y93-L135 HydrophobicContact CE1-CD1 4.29Å; K131-L135 PolarHBondContact O-N 3.49Å; K131-L135 VanDerWaalsContact O-N 3.11Å; M132-L135 WeakPolarHBondContact O-CB 3.41Å; M132-L135 PolarHBondContact O-N 3.36Å; M132-L135 VanDerWaalsContact O-N 3.09Å; L135-C137 PolarHBondContact O-N 2.87Å; L135-L138 HydrophobicContact CD1-CD1 3.9Å; L135-L138 WeakPolarHBondContact O-CB 3.42Å; L135-L138 WeakPolarHBondContact O-CG 3.42Å; L135-L138 PolarHBondContact O-N 2.89Å; L135-L218 HydrophobicContact CD1-CD2 4.29Å; L135-H220 HydrophobicContact CD2-CB 3.9Å; L135-L239 HydrophobicContact CB-CD1 4.47Å; L135-L239 HydrophobicContact CD2-CD1 4.18Å; L135-M242 HydrophobicContact CD1-CE 3.75Å; L135-M242 HydrophobicContact CD2-CE 4.02Å |
| 136 | H | 94 | Very high | 84.7 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.9 | -19.5 | -179 | -69.6 | -172.9 | 0 | 0 | 0 | 113.5 | M132 Q134 V217 L218 D253 Y285 Y289 | M132-H136 VanDerWaalsContact CG-CE1 3.46Å; M132-H136 WeakPolarHBondContact CG-CE1 3.42Å; M132-H136 WeakPolarHBondContact CG-NE2 3.33Å; M132-H136 WeakPolarHBondContact O-CB 3.33Å; M132-H136 PolarHBondContact O-CD2 3.01Å; M132-H136 PolarHBondContact O-N 3.29Å; Q134-H136 VanDerWaalsContact C-N 3.35Å; H136-V217 HydrophobicContact CB-CB 4.05Å; H136-V217 HydrophobicContact CB-CG1 4.35Å; H136-V217 HydrophobicContact CB-CG2 3.73Å; H136-V217 VanDerWaalsContact CG-CG2 3.49Å; H136-V217 WeakPolarHBondContact O-CB 2.89Å; H136-V217 WeakPolarHBondContact O-CG1 3.31Å; H136-L218 PolarHBondContact CD2-O 3.47Å; H136-D253 IonicContact CE1-OD2 2.7Å; H136-D253 IonicContact NE2-OD2 2.74Å; H136-D253 PolarHBondContact NE2-OD2 3.46Å; H136-D253 VanDerWaalsContact NE2-OD2 3.08Å; H136-Y285 AromaticContact ND1-CE2 3.43Å; H136-Y285 WeakPolarHBondContact ND1-CE2 3.47Å; H136-Y285 AromaticContact ND1-CZ 3.49Å; H136-Y285 PolarHBondContact ND1-OH 3.27Å; H136-Y289 HydrophobicContact CB-CD2 4Å; H136-Y289 HydrophobicContact CB-CE2 3.88Å |
| 137 | C | 90.9 | Very high | 82.9 | Confident | 33 Ų | 33 | 41.6 Ų | 41.6 | 22% | 0.223 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 5.1 | 177.4 | -69.2 | 0 | 0 | 0 | 0 | 113.7 | A133 Q134 L135 Y289 Y292 | A133-C137 WeakPolarHBondContact O-CB 3.49Å; A133-C137 PolarHBondContact O-N 3.14Å; A133-C137 VanDerWaalsContact O-N 3.13Å; A133-C137 PolarHBondContact O-SG 2.89Å; Q134-C137 PolarHBondContact O-N 2.56Å; L135-C137 PolarHBondContact O-N 2.87Å; C137-Y289 WeakPolarHBondContact SG-CD2 3.42Å; C137-Y289 VanDerWaalsContact SG-CE2 3.6Å; C137-Y289 PolarHBondContact SG-O 3.16Å; C137-Y289 VanDerWaalsContact SG-O 3.37Å; C137-Y292 VanDerWaalsContact SG-CB 3.59Å |
| 138 | L | 87.2 | Confident | 81.2 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 9% | 0.094 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -68.7 | 143.2 | 179.4 | -61 | -177.5 | 0 | 0 | 0 | 111.7 | V87 L90 Q134 L135 I140 L218 | V87-L138 HydrophobicContact CB-CD1 4.49Å; V87-L138 HydrophobicContact CG1-CD1 3.91Å; L90-L138 HydrophobicContact CD1-CD1 3.2Å; L90-L138 HydrophobicContact CD1-CD2 3.08Å; L90-L138 HydrophobicContact CD1-CG 3.66Å; L90-L138 HydrophobicContact CD2-CD2 3.68Å; L90-L138 HydrophobicContact CG-CD2 3.96Å; Q134-L138 WeakPolarHBondContact O-CD2 3.36Å; Q134-L138 WeakPolarHBondContact O-CG 3.22Å; L135-L138 HydrophobicContact CD1-CD1 3.9Å; L135-L138 WeakPolarHBondContact O-CB 3.42Å; L135-L138 WeakPolarHBondContact O-CG 3.42Å; L135-L138 PolarHBondContact O-N 2.89Å; L138-I140 PolarHBondContact O-N 3.29Å; L138-L218 HydrophobicContact CD1-CD2 4.31Å |
| 139 | P | 77.7 | Confident | 78.9 | Confident | 83 Ų | 83 | 51.9 Ų | 51.9 | 54% | 0.539 | 26% | 0.262 | S | S | . | . | trans | -65.4 | 110.1 | -179.2 | 25.9 | -32.8 | 0 | 0 | 0 | 110.3 | D141 | P139-D141 VanDerWaalsContact C-N 3.26Å; P139-D141 PolarHBondContact O-N 3.46Å | ||
| 140 | I | 71.7 | Confident | 76.6 | Confident | 27 Ų | 27 | 58.1 Ų | 58.1 | 14% | 0.138 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -72.6 | -20.3 | 179.9 | -63.5 | 162.8 | 0 | 0 | 0 | 111.6 | L138 E142 F143 I144 P158 L247 | L138-I140 PolarHBondContact O-N 3.29Å; I140-E142 VanDerWaalsContact C-N 3.3Å; I140-E142 PolarHBondContact O-N 2.85Å; I140-F143 HydrophobicContact CG2-CD1 4.35Å; I140-F143 CarbonylContact O-C 3.54Å; I140-F143 WeakPolarHBondContact O-CA 3.36Å; I140-F143 WeakPolarHBondContact O-CB 3.43Å; I140-F143 PolarHBondContact O-N 3.18Å; I140-I144 HydrophobicContact CG2-CD1 3.67Å; I140-I144 HydrophobicContact CG2-CG1 3.74Å; I140-I144 PolarHBondContact O-N 3.3Å; I140-P158 HydrophobicContact CG2-CB 4.44Å; I140-L247 HydrophobicContact CB-CD2 4.39Å; I140-L247 HydrophobicContact CD1-CD2 4.06Å; I140-L247 HydrophobicContact CG1-CD2 3.96Å; I140-L247 HydrophobicContact CG2-CD1 3.96Å; I140-L247 HydrophobicContact CG2-CD2 3.54Å; I140-L247 HydrophobicContact CG2-CG 4.39Å |
| 141 | D | 69.5 | Low | 74.1 | Confident | 108 Ų | 108 | 58.8 Ų | 58.8 | 58% | 0.578 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.5 | -39.6 | -176.1 | -65.2 | -17.5 | 0 | 0 | 0 | 112.1 | P139 F143 Q145 | P139-D141 VanDerWaalsContact C-N 3.26Å; P139-D141 PolarHBondContact O-N 3.46Å; D141-F143 PolarHBondContact O-N 3.43Å; D141-Q145 WeakPolarHBondContact O-CB 3.45Å; D141-Q145 VanDerWaalsContact O-CG 3.24Å; D141-Q145 WeakPolarHBondContact O-CG 3.42Å; D141-Q145 PolarHBondContact O-N 2.9Å |
| 142 | E | 63.5 | Low | 71.7 | Confident | 76 Ų | 76 | 66.4 Ų | 66.4 | 36% | 0.355 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.7 | -28.8 | 173.2 | -70.4 | -164.7 | 168.9 | 0 | 0 | 112.5 | K89 I140 K146 | K89-E142 VanDerWaalsContact NZ-CD 3.35Å; K89-E142 IonicContact NZ-OE1 3.87Å; K89-E142 PolarHBondContact NZ-OE1 3.32Å; K89-E142 IonicContact NZ-OE2 3.99Å; K89-E142 PolarHBondContact NZ-OE2 3.16Å; I140-E142 VanDerWaalsContact C-N 3.3Å; I140-E142 PolarHBondContact O-N 2.85Å; E142-K146 WeakPolarHBondContact O-CB 3.47Å; E142-K146 WeakPolarHBondContact O-CG 3.47Å; E142-K146 PolarHBondContact O-N 3.06Å |
| 143 | F | 66.1 | Low | 69.4 | Low | 9 Ų | 9 | 71.9 Ų | 71.9 | 4% | 0.039 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -70.6 | -53.7 | 178.1 | 171.2 | -99.8 | 0 | 0 | 0 | 110.8 | Y83 I86 I140 D141 Q145 K146 T147 L247 | Y83-F143 HydrophobicContact CD1-CD2 4.05Å; Y83-F143 AromaticContact CD1-CE2 3.67Å; Y83-F143 HydrophobicContact CD1-CE2 3.67Å; Y83-F143 AromaticContact CE1-CD2 3.71Å; Y83-F143 HydrophobicContact CE1-CD2 3.71Å; Y83-F143 AromaticContact CE1-CE2 2.93Å; Y83-F143 HydrophobicContact CE1-CE2 2.93Å; Y83-F143 AromaticContact CE1-CZ 3.45Å; Y83-F143 HydrophobicContact CE1-CZ 3.45Å; Y83-F143 VanDerWaalsContact CE1-CZ 3.45Å; Y83-F143 AromaticContact CZ-CE2 3.63Å; Y83-F143 AromaticContact CZ-CZ 3.87Å; Y83-F143 WeakPolarHBondContact OH-CZ 3.41Å; I86-F143 HydrophobicContact CD1-CB 4.05Å; I86-F143 HydrophobicContact CD1-CD2 3.79Å; I86-F143 HydrophobicContact CD1-CG 4.45Å; I140-F143 HydrophobicContact CG2-CD1 4.35Å; I140-F143 CarbonylContact O-C 3.54Å; I140-F143 WeakPolarHBondContact O-CA 3.36Å; I140-F143 WeakPolarHBondContact O-CB 3.43Å; I140-F143 PolarHBondContact O-N 3.18Å; D141-F143 PolarHBondContact O-N 3.43Å; F143-Q145 VanDerWaalsContact C-N 3.3Å; F143-Q145 PolarHBondContact O-N 3.32Å; F143-K146 PolarHBondContact O-N 3.42Å; F143-T147 HydrophobicContact CD2-CG2 3.9Å; F143-T147 HydrophobicContact CE1-CG2 4.32Å; F143-T147 HydrophobicContact CE2-CG2 3.24Å; F143-T147 HydrophobicContact CZ-CG2 3.55Å; F143-T147 PolarHBondContact O-N 3.06Å; F143-T147 PolarHBondContact O-OG1 2.93Å; F143-L247 HydrophobicContact CD1-CD1 3.84Å; F143-L247 HydrophobicContact CD1-CD2 3.96Å; F143-L247 HydrophobicContact CD1-CG 3.79Å; F143-L247 HydrophobicContact CE1-CD1 3.7Å; F143-L247 HydrophobicContact CE1-CD2 4.16Å; F143-L247 HydrophobicContact CE1-CG 3.52Å |
| 144 | I | 67.1 | Low | 67.2 | Low | 30 Ų | 30 | 80.4 Ų | 80.4 | 15% | 0.154 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -57.7 | -45.7 | -179 | -66 | 173.1 | 0 | 0 | 0 | 110.3 | I140 K146 T147 Q148 P158 L247 | I140-I144 HydrophobicContact CG2-CD1 3.67Å; I140-I144 HydrophobicContact CG2-CG1 3.74Å; I140-I144 PolarHBondContact O-N 3.3Å; I144-K146 PolarHBondContact O-N 3.09Å; I144-T147 PolarHBondContact O-N 3.49Å; I144-Q148 PolarHBondContact O-N 3.4Å; I144-Q148 VanDerWaalsContact O-N 3.07Å; I144-P158 HydrophobicContact CD1-CB 4.41Å; I144-L247 HydrophobicContact CG1-CD1 4.24Å |
| 145 | Q | 66.1 | Low | 65.4 | Low | 151 Ų | 151 | 87.7 Ų | 87.7 | 71% | 0.706 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.2 | -27.7 | 179.5 | -72.1 | 174.6 | 21 | 0 | 0 | 113.7 | D141 F143 | D141-Q145 WeakPolarHBondContact O-CB 3.45Å; D141-Q145 VanDerWaalsContact O-CG 3.24Å; D141-Q145 WeakPolarHBondContact O-CG 3.42Å; D141-Q145 PolarHBondContact O-N 2.9Å; F143-Q145 VanDerWaalsContact C-N 3.3Å; F143-Q145 PolarHBondContact O-N 3.32Å |
| 146 | K | 60.7 | Low | 63.9 | Low | 88 Ų | 88 | 90.5 Ų | 90.5 | 38% | 0.383 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -94.2 | -18.8 | -178 | -76.5 | -176.7 | 174.5 | -171.6 | 0 | 113.9 | K82 E142 F143 I144 | K82-K146 PolarHBondContact NZ-O 3.1Å; E142-K146 WeakPolarHBondContact O-CB 3.47Å; E142-K146 WeakPolarHBondContact O-CG 3.47Å; E142-K146 PolarHBondContact O-N 3.06Å; F143-K146 PolarHBondContact O-N 3.42Å; I144-K146 PolarHBondContact O-N 3.09Å |
| 147 | T | 61.1 | Low | 63 | Low | 40 Ų | 40 | 99 Ų | 99 | 25% | 0.245 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -98.9 | -25.6 | -179.8 | 53.2 | 0 | 0 | 0 | 0 | 113.1 | K82 F143 I144 | K82-T147 HydrophobicContact CD-CG2 4.14Å; F143-T147 HydrophobicContact CD2-CG2 3.9Å; F143-T147 HydrophobicContact CE1-CG2 4.32Å; F143-T147 HydrophobicContact CE2-CG2 3.24Å; F143-T147 HydrophobicContact CZ-CG2 3.55Å; F143-T147 PolarHBondContact O-N 3.06Å; F143-T147 PolarHBondContact O-OG1 2.93Å; I144-T147 PolarHBondContact O-N 3.49Å |
| 148 | Q | 61.7 | Low | 62.6 | Low | 95 Ų | 95 | 99.9 Ų | 99.9 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | trans | -96.6 | 110.1 | 174.8 | -62.4 | -179.8 | -10.2 | 0 | 0 | 109.4 | I144 D150 | I144-Q148 PolarHBondContact O-N 3.4Å; I144-Q148 VanDerWaalsContact O-N 3.07Å; Q148-D150 PolarHBondContact O-N 2.86Å | ||
| 149 | N | 51 | Low | 62.8 | Low | 153 Ų | 153 | 106.1 Ų | 106.1 | 82% | 0.818 | 54% | 0.538 | S | S | * | . | trans | -76.2 | 6.8 | -179.8 | -94.7 | -1.1 | 0 | 0 | 0 | 113.9 | ||||
| 150 | D | 49.6 | Very low | 63.5 | Low | 132 Ų | 132 | 102.8 Ų | 102.8 | 71% | 0.706 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -121.9 | 137.5 | -171.9 | -87.9 | -43.1 | 0 | 0 | 0 | 114.2 | Q148 | Q148-D150 PolarHBondContact O-N 2.86Š|
| 151 | T | 42.5 | Very low | 64.6 | Low | 113 Ų | 113 | 104.8 Ų | 104.8 | 69% | 0.693 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -55.5 | 138.6 | -174.5 | 48.2 | 0 | 0 | 0 | 0 | 114.6 | I153 | T151-I153 PolarHBondContact O-N 3.46Š|
| 152 | L | 45.8 | Very low | 65.9 | Low | 176 Ų | 176 | 99.8 Ų | 99.8 | 92% | 0.921 | 50% | 0.499 | S | S | * | . | trans | 64.9 | 32.1 | 150.6 | -63.7 | 165.7 | 0 | 0 | 0 | 118.4 | E154 | L152-E154 PolarHBondContact O-N 3.15Š| ||
| 153 | I | 49.1 | Very low | 67.5 | Low | 114 Ų | 114 | 96.7 Ų | 96.7 | 59% | 0.585 | 48% | 0.484 | S | S | * | . | trans | -81.7 | 113.3 | 167.1 | -53.4 | 179.1 | 0 | 0 | 0 | 108.2 | T151 K155 | T151-I153 PolarHBondContact O-N 3.46Å; I153-K155 PolarHBondContact O-N 2.92Å | ||
| 154 | E | 50 | Low | 68.9 | Low | 179 Ų | 179 | 99.5 Ų | 99.5 | 84% | 0.836 | 50% | 0.504 | S | S | * | . | trans | -42.1 | 136.7 | 167.8 | -71.7 | -176.3 | 149.4 | 0 | 0 | 109.9 | L152 S156 | L152-E154 PolarHBondContact O-N 3.15Å; E154-S156 WeakPolarHBondContact O-CA 3.43Å; E154-S156 PolarHBondContact O-N 3.28Å | ||
| 155 | K | 55.1 | Low | 70.2 | Confident | 212 Ų | 212 | 100 Ų | 100 | 92% | 0.922 | 51% | 0.508 | S | S | * | . | trans | -30.1 | 79.1 | 178.7 | -69.2 | -179.2 | 176.2 | -178 | 0 | 113.5 | I153 | I153-K155 PolarHBondContact O-N 2.92Š| ||
| 156 | S | 61.5 | Low | 71.7 | Confident | 60 Ų | 60 | 92.9 Ų | 92.9 | 42% | 0.42 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 140 | 179 | 54.8 | 0 | 0 | 0 | 0 | 106.2 | E154 | E154-S156 WeakPolarHBondContact O-CA 3.43Å; E154-S156 PolarHBondContact O-N 3.28Å |
| 157 | K | 75 | Confident | 73.4 | Confident | 183 Ų | 183 | 91.5 Ų | 91.5 | 80% | 0.796 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 138.7 | 175.9 | -69.7 | 179.9 | 179.6 | 177 | 0 | 108.5 | E159 | K157-E159 PolarHBondContact O-N 3.24Š|
| 158 | P | 83.4 | Confident | 75 | Confident | 51 Ų | 51 | 96 Ų | 96 | 33% | 0.331 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 133.1 | 176.4 | 24.1 | -32.9 | 0 | 0 | 0 | 110.1 | I140 I144 V216 L247 | I140-P158 HydrophobicContact CG2-CB 4.44Å; I144-P158 HydrophobicContact CD1-CB 4.41Å; P158-V216 HydrophobicContact CB-CB 4.39Å; P158-V216 HydrophobicContact CB-CG1 4.04Å; P158-V216 HydrophobicContact CG-CB 4.39Å; P158-L247 HydrophobicContact CB-CD1 4.13Å |
| 159 | E | 89.9 | Confident | 76.7 | Confident | 148 Ų | 148 | 92 Ų | 92 | 69% | 0.692 | 47% | 0.466 | S | S | * | . | trans | -107.7 | 139 | 179.8 | -65.1 | -171.8 | 167 | 0 | 0 | 111 | K157 Q161 | K157-E159 PolarHBondContact O-N 3.24Å; E159-Q161 PolarHBondContact O-NE2 3.2Å | ||
| 160 | S | 93.9 | Very high | 78.8 | Confident | 13 Ų | 13 | 84.8 Ų | 84.8 | 9% | 0.091 | 43% | 0.428 | C | S | . | . | trans | -69.8 | 136.9 | 177 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | L162 L247 N248 Y249 | S160-L162 WeakPolarHBondContact OG-CB 2.75Å; S160-L162 PolarHBondContact OG-N 3.47Å; S160-L162 VanDerWaalsContact OG-N 3.12Å; S160-L247 WeakPolarHBondContact CA-O 3.48Å; S160-N248 PolarHBondContact OG-OD1 2.97Å; S160-Y249 WeakPolarHBondContact OG-CD2 3.42Å; S160-Y249 WeakPolarHBondContact OG-CE2 3.47Å | ||
| 161 | Q | 93.4 | Very high | 81 | Confident | 69 Ų | 69 | 83.9 Ų | 83.9 | 32% | 0.322 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -89 | -1.1 | 173.6 | -59.6 | -52 | -58.6 | 0 | 0 | 113.5 | E159 T165 D246 L247 | E159-Q161 PolarHBondContact O-NE2 3.2Å; Q161-T165 WeakPolarHBondContact O-CB 3.29Å; Q161-T165 PolarHBondContact O-N 3.29Å; Q161-T165 PolarHBondContact O-OG1 3.08Å; Q161-D246 HydrophobicContact CB-CB 4.3Å; Q161-D246 HydrophobicContact CG-CB 4.41Å; Q161-D246 VanDerWaalsContact CG-OD1 3.27Å; Q161-D246 WeakPolarHBondContact CG-OD1 3.47Å; Q161-L247 PolarHBondContact N-O 3.3Å |
| 162 | L | 97 | Very high | 83.5 | Confident | 4 Ų | 4 | 82.3 Ų | 82.3 | 2% | 0.021 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59 | -60.4 | -176.2 | 175.9 | 60.8 | 0 | 0 | 0 | 113.1 | S160 T165 I166 N248 Y249 Y252 F319 V322 L326 | S160-L162 WeakPolarHBondContact OG-CB 2.75Å; S160-L162 PolarHBondContact OG-N 3.47Å; S160-L162 VanDerWaalsContact OG-N 3.12Å; L162-T165 PolarHBondContact O-N 3.45Å; L162-I166 WeakPolarHBondContact O-CG2 3.33Å; L162-I166 PolarHBondContact O-N 3.14Å; L162-N248 VanDerWaalsContact CB-OD1 3.22Å; L162-N248 WeakPolarHBondContact CB-OD1 3.37Å; L162-Y249 HydrophobicContact CD2-CD2 4.32Å; L162-Y252 HydrophobicContact CD1-CD2 3.77Å; L162-Y252 HydrophobicContact CD1-CE1 4.25Å; L162-Y252 HydrophobicContact CD1-CE2 3.42Å; L162-Y252 VanDerWaalsContact CD1-CE2 3.42Å; L162-Y252 HydrophobicContact CD1-CG 4.31Å; L162-Y252 HydrophobicContact CD2-CD2 3.46Å; L162-Y252 VanDerWaalsContact CD2-CD2 3.46Å; L162-Y252 HydrophobicContact CD2-CE2 4.01Å; L162-Y252 HydrophobicContact CD2-CG 3.89Å; L162-Y252 HydrophobicContact CG-CD2 4.27Å; L162-Y252 HydrophobicContact CG-CE2 4.37Å; L162-F319 HydrophobicContact CD2-CD1 3.85Å; L162-F319 HydrophobicContact CD2-CE1 3.77Å; L162-V322 HydrophobicContact CD1-CG1 4.15Å; L162-V322 HydrophobicContact CD2-CG1 4.05Å; L162-V322 HydrophobicContact CG-CG1 4.25Å; L162-L326 HydrophobicContact CD1-CD1 3.69Å |
| 163 | F | 97.3 | Very high | 85.8 | Confident | 10 Ų | 10 | 74.3 Ų | 74.3 | 4% | 0.044 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.2 | -43.5 | -177.7 | -65.4 | -68.8 | 0 | 0 | 0 | 112.3 | T165 I166 F167 V201 K205 L209 Y249 | F163-T165 VanDerWaalsContact C-N 3.28Å; F163-T165 PolarHBondContact O-N 3.02Å; F163-I166 HydrophobicContact CD1-CG2 4.38Å; F163-I166 VanDerWaalsContact O-CG2 3.31Å; F163-I166 WeakPolarHBondContact O-CG2 3.33Å; F163-I166 PolarHBondContact O-N 3.03Å; F163-F167 HydrophobicContact CB-CD2 4.33Å; F163-F167 HydrophobicContact CB-CE2 3.83Å; F163-F167 HydrophobicContact CB-CZ 4.41Å; F163-F167 WeakPolarHBondContact O-CB 3.45Å; F163-F167 WeakPolarHBondContact O-CD2 3.28Å; F163-F167 WeakPolarHBondContact O-CG 3.44Å; F163-F167 PolarHBondContact O-N 3.16Å; F163-V201 HydrophobicContact CD1-CG1 4.05Å; F163-V201 HydrophobicContact CE1-CG1 4.32Å; F163-K205 HydrophobicContact CB-CD 4.35Å; F163-K205 HydrophobicContact CD1-CB 4.03Å; F163-K205 HydrophobicContact CD1-CD 3.96Å; F163-K205 HydrophobicContact CD1-CG 4.01Å; F163-K205 HydrophobicContact CD2-CD 4.21Å; F163-K205 HydrophobicContact CD2-CG 4.08Å; F163-K205 HydrophobicContact CE1-CB 3.56Å; F163-K205 HydrophobicContact CE1-CD 4.29Å; F163-K205 HydrophobicContact CE1-CG 3.83Å; F163-K205 HydrophobicContact CE2-CB 4.43Å; F163-K205 HydrophobicContact CE2-CG 3.9Å; F163-K205 HydrophobicContact CG-CD 3.91Å; F163-K205 HydrophobicContact CG-CG 4.13Å; F163-K205 HydrophobicContact CZ-CB 3.78Å; F163-K205 HydrophobicContact CZ-CG 3.76Å; F163-L209 HydrophobicContact CZ-CB 4.34Å; F163-L209 HydrophobicContact CZ-CD1 3.97Å; F163-Y249 HydrophobicContact CD2-CE2 4.26Å; F163-Y249 AromaticContact CE2-CE2 3.96Å; F163-Y249 HydrophobicContact CE2-CE2 3.96Å |
| 164 | P | 95.7 | Very high | 87.9 | Confident | 69 Ų | 69 | 72.3 Ų | 72.3 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -53.6 | -43.2 | 169.9 | -28.5 | 35.8 | 0 | 0 | 0 | 113.5 | K168 | P164-K168 WeakPolarHBondContact O-CB 3.28Å; P164-K168 PolarHBondContact O-N 3.17Å |
| 165 | T | 94.9 | Very high | 89.9 | Confident | 41 Ų | 41 | 66.9 Ų | 66.9 | 25% | 0.252 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.2 | -50.4 | -179.5 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | Q161 L162 F163 F167 K168 W169 | Q161-T165 WeakPolarHBondContact O-CB 3.29Å; Q161-T165 PolarHBondContact O-N 3.29Å; Q161-T165 PolarHBondContact O-OG1 3.08Å; L162-T165 PolarHBondContact O-N 3.45Å; F163-T165 VanDerWaalsContact C-N 3.28Å; F163-T165 PolarHBondContact O-N 3.02Å; T165-F167 VanDerWaalsContact C-N 3.33Å; T165-F167 PolarHBondContact O-N 3.3Å; T165-K168 WeakPolarHBondContact O-CB 3.29Å; T165-K168 PolarHBondContact O-N 3.28Å; T165-W169 HydrophobicContact CG2-CD2 4.02Å; T165-W169 VanDerWaalsContact CG2-CE2 3.49Å; T165-W169 HydrophobicContact CG2-CG 4.4Å; T165-W169 HydrophobicContact CG2-CH2 4.42Å; T165-W169 HydrophobicContact CG2-CZ2 3.73Å; T165-W169 PolarHBondContact O-N 2.84Å |
| 166 | I | 96.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.1 | -37.6 | -179.6 | -165.3 | 172.1 | 0 | 0 | 0 | 111.6 | L162 F163 W169 I170 V201 V322 L325 L326 | L162-I166 WeakPolarHBondContact O-CG2 3.33Å; L162-I166 PolarHBondContact O-N 3.14Å; F163-I166 HydrophobicContact CD1-CG2 4.38Å; F163-I166 VanDerWaalsContact O-CG2 3.31Å; F163-I166 WeakPolarHBondContact O-CG2 3.33Å; F163-I166 PolarHBondContact O-N 3.03Å; I166-W169 PolarHBondContact O-N 3.16Å; I166-I170 HydrophobicContact CG1-CD1 4Å; I166-I170 HydrophobicContact CG1-CG1 4.39Å; I166-I170 WeakPolarHBondContact O-CB 3.39Å; I166-I170 VanDerWaalsContact O-CG1 3.23Å; I166-I170 WeakPolarHBondContact O-CG1 3.45Å; I166-I170 PolarHBondContact O-N 2.83Å; I166-V201 HydrophobicContact CD1-CG1 4.19Å; I166-V201 HydrophobicContact CD1-CG2 3.5Å; I166-V201 HydrophobicContact CG1-CG2 4.22Å; I166-V201 HydrophobicContact CG2-CG1 3.75Å; I166-V322 HydrophobicContact CD1-CG1 4.26Å; I166-L325 HydrophobicContact CD1-CB 4.22Å; I166-L326 HydrophobicContact CB-CD1 4.36Å; I166-L326 HydrophobicContact CD1-CB 3.95Å; I166-L326 HydrophobicContact CG1-CB 4.41Å |
| 167 | F | 97.4 | Very high | 93.2 | Very high | 59 Ų | 59 | 63.8 Ų | 63.8 | 26% | 0.259 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 175 | -65 | -41.3 | 0 | 0 | 0 | 111.8 | F163 T165 W169 I170 D171 L198 V201 I202 K205 | F163-F167 HydrophobicContact CB-CD2 4.33Å; F163-F167 HydrophobicContact CB-CE2 3.83Å; F163-F167 HydrophobicContact CB-CZ 4.41Å; F163-F167 WeakPolarHBondContact O-CB 3.45Å; F163-F167 WeakPolarHBondContact O-CD2 3.28Å; F163-F167 WeakPolarHBondContact O-CG 3.44Å; F163-F167 PolarHBondContact O-N 3.16Å; T165-F167 VanDerWaalsContact C-N 3.33Å; T165-F167 PolarHBondContact O-N 3.3Å; F167-W169 VanDerWaalsContact C-N 3.31Å; F167-W169 PolarHBondContact O-N 3.05Å; F167-I170 PolarHBondContact O-N 3.29Å; F167-D171 PolarHBondContact O-N 3.46Å; F167-L198 HydrophobicContact CD1-CD1 3.66Å; F167-L198 HydrophobicContact CE1-CD1 3.88Å; F167-V201 HydrophobicContact CD1-CG1 4.27Å; F167-V201 HydrophobicContact CE1-CB 4.24Å; F167-V201 HydrophobicContact CE1-CG1 3.54Å; F167-V201 HydrophobicContact CZ-CG1 4.05Å; F167-I202 HydrophobicContact CE1-CG1 4.05Å; F167-I202 HydrophobicContact CZ-CG1 4.26Å; F167-K205 HydrophobicContact CE2-CD 4.4Å; F167-K205 HydrophobicContact CZ-CD 4.17Å |
| 168 | K | 95.3 | Very high | 94 | Very high | 134 Ų | 134 | 55 Ų | 55 | 58% | 0.583 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -59.6 | -41.3 | 173.3 | 179.8 | -176.3 | 175.6 | -174.2 | 0 | 111.6 | P164 T165 D171 R172 | P164-K168 WeakPolarHBondContact O-CB 3.28Å; P164-K168 PolarHBondContact O-N 3.17Å; T165-K168 WeakPolarHBondContact O-CB 3.29Å; T165-K168 PolarHBondContact O-N 3.28Å; K168-D171 PolarHBondContact O-N 3.48Å; K168-R172 WeakPolarHBondContact O-CG 3.47Å; K168-R172 PolarHBondContact O-N 3.27Å |
| 169 | W | 95.7 | Very high | 94.3 | Very high | 11 Ų | 11 | 56 Ų | 56 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.9 | -43.1 | 179.3 | -68.8 | 5.7 | 0 | 0 | 0 | 112 | L74 T165 I166 F167 D171 R172 L173 Y244 L326 V329 W330 I333 | L74-W169 HydrophobicContact CB-CZ2 4.33Å; L74-W169 HydrophobicContact CD2-CD2 3.97Å; L74-W169 HydrophobicContact CD2-CG 3.86Å; L74-W169 HydrophobicContact CD2-CZ2 4.45Å; T165-W169 HydrophobicContact CG2-CD2 4.02Å; T165-W169 VanDerWaalsContact CG2-CE2 3.49Å; T165-W169 HydrophobicContact CG2-CG 4.4Å; T165-W169 HydrophobicContact CG2-CH2 4.42Å; T165-W169 HydrophobicContact CG2-CZ2 3.73Å; T165-W169 PolarHBondContact O-N 2.84Å; I166-W169 PolarHBondContact O-N 3.16Å; F167-W169 VanDerWaalsContact C-N 3.31Å; F167-W169 PolarHBondContact O-N 3.05Å; W169-D171 PolarHBondContact O-N 2.75Å; W169-R172 WeakPolarHBondContact O-CA 3.42Å; W169-R172 WeakPolarHBondContact O-CB 2.94Å; W169-R172 PolarHBondContact O-N 3.08Å; W169-L173 PolarHBondContact O-N 3.12Å; W169-Y244 HydrophobicContact CH2-CD1 4.2Å; W169-Y244 AromaticContact CH2-CE1 3.97Å; W169-Y244 HydrophobicContact CH2-CE1 3.97Å; W169-Y244 HydrophobicContact CZ2-CD1 4.44Å; W169-Y244 HydrophobicContact CZ2-CE1 4.25Å; W169-L326 HydrophobicContact CE3-CD2 4.31Å; W169-L326 HydrophobicContact CE3-CG 4.06Å; W169-L326 HydrophobicContact CH2-CD2 4.13Å; W169-L326 HydrophobicContact CZ3-CD1 4.39Å; W169-L326 HydrophobicContact CZ3-CD2 3.47Å; W169-L326 VanDerWaalsContact CZ3-CD2 3.47Å; W169-L326 HydrophobicContact CZ3-CG 3.71Å; W169-V329 HydrophobicContact CB-CG1 3.73Å; W169-W330 HydrophobicContact CE3-CB 4.15Å; W169-W330 HydrophobicContact CZ3-CB 3.82Å; W169-W330 HydrophobicContact CZ3-CG 4.32Å; W169-I333 HydrophobicContact CB-CD1 3.93Å; W169-I333 HydrophobicContact CG-CD1 4.45Å; W169-I333 WeakPolarHBondContact O-CD1 3.36Å |
| 170 | I | 96.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.1 | -38.8 | 172.9 | -71.4 | 167.4 | 0 | 0 | 0 | 110.2 | I166 F167 R172 L173 K194 V197 L198 V201 V329 | I166-I170 HydrophobicContact CG1-CD1 4Å; I166-I170 HydrophobicContact CG1-CG1 4.39Å; I166-I170 WeakPolarHBondContact O-CB 3.39Å; I166-I170 VanDerWaalsContact O-CG1 3.23Å; I166-I170 WeakPolarHBondContact O-CG1 3.45Å; I166-I170 PolarHBondContact O-N 2.83Å; F167-I170 PolarHBondContact O-N 3.29Å; I170-R172 PolarHBondContact O-N 3.28Å; I170-L173 HydrophobicContact CG2-CD1 4.39Å; I170-L173 WeakPolarHBondContact O-CB 3.49Å; I170-L173 PolarHBondContact O-N 2.94Å; I170-L173 VanDerWaalsContact O-N 3.12Å; I170-K194 HydrophobicContact CG2-CG 3.73Å; I170-K194 WeakPolarHBondContact O-CD 3.44Å; I170-K194 WeakPolarHBondContact O-CE 3.43Å; I170-K194 WeakPolarHBondContact O-CG 3.47Å; I170-V197 HydrophobicContact CD1-CG1 3.88Å; I170-V197 HydrophobicContact CG1-CG1 4.09Å; I170-L198 HydrophobicContact CG2-CB 4.13Å; I170-L198 HydrophobicContact CG2-CD1 4.45Å; I170-V201 HydrophobicContact CD1-CB 4.43Å; I170-V201 HydrophobicContact CD1-CG2 3.85Å; I170-V329 HydrophobicContact CG1-CG1 4.22Å; I170-V329 HydrophobicContact CG1-CG2 3.88Å |
| 171 | D | 95.4 | Very high | 94 | Very high | 113 Ų | 113 | 52.4 Ų | 52.4 | 60% | 0.604 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.2 | -31.3 | 177.2 | -167.9 | 46 | 0 | 0 | 0 | 113.3 | F167 K168 W169 L173 K194 | F167-D171 PolarHBondContact O-N 3.46Å; K168-D171 PolarHBondContact O-N 3.48Å; W169-D171 PolarHBondContact O-N 2.75Å; D171-L173 VanDerWaalsContact C-N 3.32Å; D171-L173 PolarHBondContact O-N 3.3Å; D171-K194 VanDerWaalsContact CA-NZ 3.33Å; D171-K194 PolarHBondContact O-NZ 3.43Å; D171-K194 IonicContact OD1-NZ 2.9Å; D171-K194 PolarHBondContact OD1-NZ 2.94Å |
| 172 | R | 94 | Very high | 93.4 | Very high | 79 Ų | 79 | 52.7 Ų | 52.7 | 30% | 0.298 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -6.5 | 178.5 | -64 | -176.2 | 67.8 | -146.2 | -20 | 114.5 | S73 K168 W169 I170 D174 I333 E337 | S73-R172 VanDerWaalsContact CB-NH2 3.28Å; S73-R172 PolarHBondContact O-NH1 3.38Å; S73-R172 PolarHBondContact OG-NH1 3.04Å; S73-R172 PolarHBondContact OG-NH2 3.4Å; K168-R172 WeakPolarHBondContact O-CG 3.47Å; K168-R172 PolarHBondContact O-N 3.27Å; W169-R172 WeakPolarHBondContact O-CA 3.42Å; W169-R172 WeakPolarHBondContact O-CB 2.94Å; W169-R172 PolarHBondContact O-N 3.08Å; I170-R172 PolarHBondContact O-N 3.28Å; R172-D174 PolarHBondContact O-N 3.28Å; R172-I333 HydrophobicContact CB-CD1 4.16Å; R172-E337 IonicContact CZ-OE1 3.24Å; R172-E337 IonicContact NH2-OE1 3.63Å; R172-E337 PolarHBondContact NH2-OE1 3.04Å |
| 173 | L | 94.4 | Very high | 92.6 | Very high | 8 Ų | 8 | 58.9 Ų | 58.9 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | trans | -62.5 | 128 | 174.2 | -70.9 | 173.3 | 0 | 0 | 0 | 110.3 | W169 I170 D171 I178 F191 K194 V329 V332 I333 | W169-L173 PolarHBondContact O-N 3.12Å; I170-L173 HydrophobicContact CG2-CD1 4.39Å; I170-L173 WeakPolarHBondContact O-CB 3.49Å; I170-L173 PolarHBondContact O-N 2.94Å; I170-L173 VanDerWaalsContact O-N 3.12Å; D171-L173 VanDerWaalsContact C-N 3.32Å; D171-L173 PolarHBondContact O-N 3.3Å; L173-I178 HydrophobicContact CB-CD1 3.97Å; L173-I178 HydrophobicContact CD1-CD1 4.29Å; L173-I178 HydrophobicContact CD2-CD1 4.38Å; L173-I178 HydrophobicContact CG-CD1 4.46Å; L173-F191 HydrophobicContact CD1-CE1 4.03Å; L173-F191 HydrophobicContact CD1-CZ 4.27Å; L173-F191 HydrophobicContact CD2-CE1 4.33Å; L173-F191 HydrophobicContact CD2-CZ 4.49Å; L173-K194 HydrophobicContact CB-CD 4.31Å; L173-K194 HydrophobicContact CB-CG 4.35Å; L173-K194 HydrophobicContact CD1-CB 4.42Å; L173-K194 HydrophobicContact CD1-CG 4.36Å; L173-V329 HydrophobicContact CD1-CG1 4.28Å; L173-V329 HydrophobicContact CD1-CG2 4.28Å; L173-V329 HydrophobicContact CD2-CG1 4.09Å; L173-V329 HydrophobicContact CG-CG1 4.14Å; L173-V332 HydrophobicContact CD2-CB 3.82Å; L173-V332 HydrophobicContact CD2-CG1 3.64Å; L173-I333 HydrophobicContact CD2-CG1 3.99Å | ||
| 174 | D | 93.2 | Very high | 91.8 | Very high | 73 Ų | 73 | 61.9 Ų | 61.9 | 39% | 0.39 | 31% | 0.311 | S | S | . | . | trans | -85 | 109.4 | 173.2 | 179.7 | -16.5 | 0 | 0 | 0 | 109.4 | R172 E176 F177 I178 | R172-D174 PolarHBondContact O-N 3.28Å; D174-E176 VanDerWaalsContact C-N 3.32Å; D174-E176 PolarHBondContact O-N 3.35Å; D174-E176 WeakPolarHBondContact OD1-CB 3.46Å; D174-E176 PolarHBondContact OD1-N 2.92Å; D174-F177 HydrophobicContact CB-CB 3.77Å; D174-F177 PolarHBondContact O-N 3.27Å; D174-F177 PolarHBondContact OD1-N 3.2Å; D174-I178 VanDerWaalsContact O-CG1 3.31Å; D174-I178 WeakPolarHBondContact O-CG1 3.44Å; D174-I178 PolarHBondContact O-N 2.87Å | ||
| 175 | E | 92.4 | Very high | 90.5 | Very high | 65 Ų | 65 | 68.5 Ų | 68.5 | 30% | 0.304 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.9 | -34.4 | -178.5 | -159.5 | 75.2 | -147.2 | 0 | 0 | 111.9 | F177 I178 D179 R182 S193 K194 | E175-F177 VanDerWaalsContact C-N 3.34Å; E175-I178 PolarHBondContact O-N 2.93Å; E175-D179 WeakPolarHBondContact O-CB 3.46Å; E175-D179 PolarHBondContact O-N 3.46Å; E175-R182 IonicContact OE1-NH2 3.56Å; E175-S193 VanDerWaalsContact OE1-CA 3.32Å; E175-S193 WeakPolarHBondContact OE1-CA 3.39Å; E175-S193 WeakPolarHBondContact OE1-CB 3.5Å; E175-K194 PolarHBondContact OE1-N 2.53Å; E175-K194 WeakPolarHBondContact OE2-CB 3.32Å; E175-K194 PolarHBondContact OE2-N 3.46Å |
| 176 | E | 93.1 | Very high | 89.7 | Confident | 157 Ų | 157 | 73.2 Ų | 73.2 | 73% | 0.734 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -67.2 | -40.1 | 177.2 | -63.9 | -174.1 | 177.5 | 0 | 0 | 110.6 | D174 S180 | D174-E176 VanDerWaalsContact C-N 3.32Å; D174-E176 PolarHBondContact O-N 3.35Å; D174-E176 WeakPolarHBondContact OD1-CB 3.46Å; D174-E176 PolarHBondContact OD1-N 2.92Å; E176-S180 VanDerWaalsContact O-CB 3.27Å; E176-S180 WeakPolarHBondContact O-CB 3.2Å; E176-S180 PolarHBondContact O-N 3.29Å; E176-S180 PolarHBondContact O-OG 3.27Å |
| 177 | F | 92.9 | Very high | 88.5 | Confident | 49 Ų | 49 | 75.2 Ų | 75.2 | 22% | 0.215 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 172.9 | 179 | -97.4 | 0 | 0 | 0 | 111.5 | D174 E175 D179 S180 S181 V332 A335 L345 | D174-F177 HydrophobicContact CB-CB 3.77Å; D174-F177 PolarHBondContact O-N 3.27Å; D174-F177 PolarHBondContact OD1-N 3.2Å; E175-F177 VanDerWaalsContact C-N 3.34Å; F177-D179 PolarHBondContact O-N 3Å; F177-S180 PolarHBondContact O-N 3.37Å; F177-S181 WeakPolarHBondContact O-CB 3.5Å; F177-S181 PolarHBondContact O-N 3.32Å; F177-V332 HydrophobicContact CD1-CG1 4.2Å; F177-V332 HydrophobicContact CE1-CG1 4.24Å; F177-A335 HydrophobicContact CE1-CB 3.83Å; F177-A335 HydrophobicContact CZ-CB 3.65Å; F177-L345 HydrophobicContact CE1-CD2 3.99Å; F177-L345 HydrophobicContact CZ-CD1 4.36Å; F177-L345 HydrophobicContact CZ-CD2 4.26Å |
| 178 | I | 92.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57 | -53.5 | 176.4 | -69.8 | 167.2 | 0 | 0 | 0 | 109.5 | L173 D174 E175 S180 S181 R182 F191 V332 | L173-I178 HydrophobicContact CB-CD1 3.97Å; L173-I178 HydrophobicContact CD1-CD1 4.29Å; L173-I178 HydrophobicContact CD2-CD1 4.38Å; L173-I178 HydrophobicContact CG-CD1 4.46Å; D174-I178 VanDerWaalsContact O-CG1 3.31Å; D174-I178 WeakPolarHBondContact O-CG1 3.44Å; D174-I178 PolarHBondContact O-N 2.87Å; E175-I178 PolarHBondContact O-N 2.93Å; I178-S180 VanDerWaalsContact C-N 3.3Å; I178-S180 PolarHBondContact O-N 2.98Å; I178-S181 WeakPolarHBondContact O-CB 3.21Å; I178-S181 PolarHBondContact O-N 3.49Å; I178-S181 VanDerWaalsContact O-N 3.1Å; I178-S181 PolarHBondContact O-OG 3.29Å; I178-R182 WeakPolarHBondContact O-CG 3.33Å; I178-R182 PolarHBondContact O-N 3.09Å; I178-F191 HydrophobicContact CD1-CD1 4.02Å; I178-F191 HydrophobicContact CD1-CE1 3.94Å; I178-F191 HydrophobicContact CG1-CD1 4.07Å; I178-F191 HydrophobicContact CG1-CE1 4.41Å; I178-F191 HydrophobicContact CG2-CD1 4.17Å; I178-V332 HydrophobicContact CD1-CG1 4.5Å; I178-V332 HydrophobicContact CG1-CG1 3.92Å |
| 179 | D | 90 | Very high | 85 | Confident | 72 Ų | 72 | 75.2 Ų | 75.2 | 39% | 0.385 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.3 | -43 | -179.6 | -77.1 | -8.8 | 0 | 0 | 0 | 112.1 | E175 F177 R182 | E175-D179 WeakPolarHBondContact O-CB 3.46Å; E175-D179 PolarHBondContact O-N 3.46Å; F177-D179 PolarHBondContact O-N 3Å; D179-R182 WeakPolarHBondContact O-CB 3.25Å; D179-R182 WeakPolarHBondContact O-CG 3.49Å; D179-R182 PolarHBondContact O-N 2.94Å; D179-R182 IonicContact OD1-CZ 2.76Å; D179-R182 VanDerWaalsContact OD1-CZ 3.24Å; D179-R182 IonicContact OD1-NH1 3.44Å; D179-R182 PolarHBondContact OD1-NH1 2.91Å; D179-R182 IonicContact OD1-NH2 2.8Å |
| 180 | S | 88.7 | Confident | 84 | Confident | 74 Ų | 74 | 79 Ų | 79 | 52% | 0.517 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.4 | -41 | 176.5 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | E176 F177 I178 R182 N183 | E176-S180 VanDerWaalsContact O-CB 3.27Å; E176-S180 WeakPolarHBondContact O-CB 3.2Å; E176-S180 PolarHBondContact O-N 3.29Å; E176-S180 PolarHBondContact O-OG 3.27Å; F177-S180 PolarHBondContact O-N 3.37Å; I178-S180 VanDerWaalsContact C-N 3.3Å; I178-S180 PolarHBondContact O-N 2.98Å; S180-R182 PolarHBondContact O-N 2.93Å; S180-N183 PolarHBondContact O-N 2.99Å |
| 181 | S | 86.9 | Confident | 83.7 | Confident | 11 Ų | 11 | 79.3 Ų | 79.3 | 8% | 0.077 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.8 | -28 | 179.9 | 79.4 | 0 | 0 | 0 | 0 | 112.9 | F177 I178 N183 I184 | F177-S181 WeakPolarHBondContact O-CB 3.5Å; F177-S181 PolarHBondContact O-N 3.32Å; I178-S181 WeakPolarHBondContact O-CB 3.21Å; I178-S181 PolarHBondContact O-N 3.49Å; I178-S181 VanDerWaalsContact O-N 3.1Å; I178-S181 PolarHBondContact O-OG 3.29Å; S181-N183 PolarHBondContact O-N 3.32Å; S181-I184 WeakPolarHBondContact O-CB 3.44Å; S181-I184 WeakPolarHBondContact O-CG1 3.33Å; S181-I184 PolarHBondContact O-N 3.07Å |
| 182 | R | 82.5 | Confident | 83.5 | Confident | 75 Ų | 75 | 74.7 Ų | 74.7 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -24 | 178.9 | -43.8 | -167.7 | 159.5 | 130.7 | 13.1 | 113.3 | E175 I178 D179 S180 I184 I190 F191 S193 | E175-R182 IonicContact OE1-NH2 3.56Å; I178-R182 WeakPolarHBondContact O-CG 3.33Å; I178-R182 PolarHBondContact O-N 3.09Å; D179-R182 WeakPolarHBondContact O-CB 3.25Å; D179-R182 WeakPolarHBondContact O-CG 3.49Å; D179-R182 PolarHBondContact O-N 2.94Å; D179-R182 IonicContact OD1-CZ 2.76Å; D179-R182 VanDerWaalsContact OD1-CZ 3.24Å; D179-R182 IonicContact OD1-NH1 3.44Å; D179-R182 PolarHBondContact OD1-NH1 2.91Å; D179-R182 IonicContact OD1-NH2 2.8Å; S180-R182 PolarHBondContact O-N 2.93Å; R182-I184 PolarHBondContact O-N 2.93Å; R182-I190 HydrophobicContact CB-CD1 4.15Å; R182-I190 HydrophobicContact CB-CG1 4.1Å; R182-I190 HydrophobicContact CB-CG2 3.8Å; R182-I190 HydrophobicContact CG-CG2 3.39Å; R182-I190 VanDerWaalsContact NE-CG2 3.32Å; R182-F191 PolarHBondContact NE-O 3.34Å; R182-S193 VanDerWaalsContact NH2-CA 3.31Å |
| 183 | N | 79.2 | Confident | 83.5 | Confident | 134 Ų | 134 | 72.3 Ų | 72.3 | 72% | 0.717 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -8.3 | 178.4 | -64.2 | -51 | 0 | 0 | 0 | 112.9 | S180 S181 K185 | S180-N183 PolarHBondContact O-N 2.99Å; S181-N183 PolarHBondContact O-N 3.32Å; N183-K185 PolarHBondContact O-N 3.26Å; N183-K185 VanDerWaalsContact O-N 3.16Å |
| 184 | I | 79.6 | Confident | 83.6 | Confident | 72 Ų | 72 | 74.4 Ų | 74.4 | 37% | 0.369 | 37% | 0.365 | S | S | . | . | trans | -80 | 98.6 | 178.1 | -54.1 | 172.1 | 0 | 0 | 0 | 108.5 | S181 R182 K186 Y187 L345 | S181-I184 WeakPolarHBondContact O-CB 3.44Å; S181-I184 WeakPolarHBondContact O-CG1 3.33Å; S181-I184 PolarHBondContact O-N 3.07Å; R182-I184 PolarHBondContact O-N 2.93Å; I184-K186 HydrophobicContact CG2-CB 4.01Å; I184-K186 PolarHBondContact O-N 3.44Å; I184-Y187 HydrophobicContact CB-CD2 4.01Å; I184-Y187 HydrophobicContact CB-CE2 4.05Å; I184-Y187 HydrophobicContact CD1-CE2 4.21Å; I184-Y187 HydrophobicContact CG2-CD2 3.88Å; I184-Y187 HydrophobicContact CG2-CE2 3.61Å; I184-Y187 PolarHBondContact O-N 3.38Å; I184-L345 HydrophobicContact CD1-CD1 3.98Å | ||
| 185 | K | 70 | Confident | 83.7 | Confident | 208 Ų | 208 | 74.3 Ų | 74.3 | 90% | 0.904 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -12.5 | -178.3 | -67.8 | -173.3 | 177.4 | -177.6 | 0 | 116 | N183 Y187 | N183-K185 PolarHBondContact O-N 3.26Å; N183-K185 VanDerWaalsContact O-N 3.16Å; K185-Y187 VanDerWaalsContact C-N 3.33Å |
| 186 | K | 76.8 | Confident | 83.9 | Confident | 141 Ų | 141 | 74.8 Ų | 74.8 | 61% | 0.613 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -28 | -177.7 | -170 | -176.2 | 176 | -166.1 | 0 | 112.8 | I184 D343 | I184-K186 HydrophobicContact CG2-CB 4.01Å; I184-K186 PolarHBondContact O-N 3.44Å; K186-D343 IonicContact NZ-OD2 2.66Å; K186-D343 PolarHBondContact NZ-OD2 3.14Å |
| 187 | Y | 72.5 | Confident | 84.1 | Confident | 42 Ų | 42 | 67.3 Ų | 67.3 | 17% | 0.165 | 33% | 0.334 | C | S | . | . | trans | -104.3 | 112.9 | -173.6 | -48.9 | -61.7 | 0 | 0 | 0 | 109.5 | I184 K185 S189 D343 L345 A346 | I184-Y187 HydrophobicContact CB-CD2 4.01Å; I184-Y187 HydrophobicContact CB-CE2 4.05Å; I184-Y187 HydrophobicContact CD1-CE2 4.21Å; I184-Y187 HydrophobicContact CG2-CD2 3.88Å; I184-Y187 HydrophobicContact CG2-CE2 3.61Å; I184-Y187 PolarHBondContact O-N 3.38Å; K185-Y187 VanDerWaalsContact C-N 3.33Å; Y187-S189 VanDerWaalsContact C-N 3.32Å; Y187-S189 PolarHBondContact O-N 2.89Å; Y187-D343 VanDerWaalsContact OH-CG 3.31Å; Y187-D343 PolarHBondContact OH-OD1 3.05Å; Y187-D343 PolarHBondContact OH-OD2 3.21Å; Y187-L345 HydrophobicContact CD2-CB 4.18Å; Y187-L345 HydrophobicContact CE1-CB 4.09Å; Y187-L345 HydrophobicContact CE2-CB 3.61Å; Y187-L345 HydrophobicContact CE2-CD1 3.79Å; Y187-L345 HydrophobicContact CE2-CG 4.37Å; Y187-A346 HydrophobicContact CD1-CB 4.35Å; Y187-A346 HydrophobicContact CE1-CB 3.82Å | ||
| 188 | E | 58.3 | Low | 84.3 | Confident | 170 Ų | 170 | 67.8 Ų | 67.8 | 79% | 0.794 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -71.4 | -26.1 | -173.3 | -61.7 | 171.4 | 148.4 | 0 | 0 | 112.9 | K353 | E188-K353 IonicContact OE2-NZ 3.29Å; E188-K353 PolarHBondContact OE2-NZ 3.35Å |
| 189 | S | 61.2 | Low | 84.6 | Confident | 22 Ų | 22 | 72.1 Ų | 72.1 | 15% | 0.154 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -112.1 | 110.8 | 172.3 | 67.2 | 0 | 0 | 0 | 0 | 109.9 | Y187 F191 D349 K353 | Y187-S189 VanDerWaalsContact C-N 3.32Å; Y187-S189 PolarHBondContact O-N 2.89Å; S189-F191 PolarHBondContact O-N 3.01Å; S189-D349 VanDerWaalsContact CA-OD1 3.23Å; S189-D349 WeakPolarHBondContact CA-OD1 3.43Å; S189-D349 WeakPolarHBondContact CB-OD1 3.4Å; S189-D349 PolarHBondContact N-OD1 3.37Å; S189-D349 PolarHBondContact OG-O 2.84Å; S189-D349 PolarHBondContact OG-OD1 3.3Å; S189-K353 WeakPolarHBondContact OG-CE 3.49Å; S189-K353 WeakPolarHBondContact OG-CG 3.44Å |
| 190 | I | 73.9 | Confident | 85 | Confident | 91 Ų | 91 | 69.1 Ų | 69.1 | 47% | 0.467 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -62 | 127.3 | 174.1 | -72.1 | 168.2 | 0 | 0 | 0 | 108.6 | R182 | R182-I190 HydrophobicContact CB-CD1 4.15Å; R182-I190 HydrophobicContact CB-CG1 4.1Å; R182-I190 HydrophobicContact CB-CG2 3.8Å; R182-I190 HydrophobicContact CG-CG2 3.39Å; R182-I190 VanDerWaalsContact NE-CG2 3.32Å |
| 191 | F | 90.2 | Very high | 85.4 | Confident | 10 Ų | 10 | 65.6 Ų | 65.6 | 4% | 0.044 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 125.7 | 169.1 | -172.2 | -93.8 | 0 | 0 | 0 | 108.7 | L173 I178 R182 S189 V197 A328 V329 V332 A348 M352 | L173-F191 HydrophobicContact CD1-CE1 4.03Å; L173-F191 HydrophobicContact CD1-CZ 4.27Å; L173-F191 HydrophobicContact CD2-CE1 4.33Å; L173-F191 HydrophobicContact CD2-CZ 4.49Å; I178-F191 HydrophobicContact CD1-CD1 4.02Å; I178-F191 HydrophobicContact CD1-CE1 3.94Å; I178-F191 HydrophobicContact CG1-CD1 4.07Å; I178-F191 HydrophobicContact CG1-CE1 4.41Å; I178-F191 HydrophobicContact CG2-CD1 4.17Å; R182-F191 PolarHBondContact NE-O 3.34Å; S189-F191 PolarHBondContact O-N 3.01Å; F191-V197 HydrophobicContact CE1-CG2 4.03Å; F191-V197 HydrophobicContact CZ-CG2 3.85Å; F191-A328 HydrophobicContact CD2-CB 4.5Å; F191-A328 HydrophobicContact CE2-CB 3.82Å; F191-V329 HydrophobicContact CZ-CG2 4.21Å; F191-V332 HydrophobicContact CB-CG2 4.31Å; F191-V332 HydrophobicContact CD1-CG1 4.45Å; F191-V332 HydrophobicContact CD1-CG2 3.84Å; F191-V332 HydrophobicContact CD2-CG2 3.5Å; F191-V332 HydrophobicContact CE1-CB 4.44Å; F191-V332 HydrophobicContact CE1-CG1 4.43Å; F191-V332 HydrophobicContact CE1-CG2 3.96Å; F191-V332 HydrophobicContact CE2-CG2 3.63Å; F191-V332 HydrophobicContact CG-CG2 3.61Å; F191-V332 HydrophobicContact CZ-CB 4.41Å; F191-V332 HydrophobicContact CZ-CG2 3.85Å; F191-A348 HydrophobicContact CD2-CB 4.25Å; F191-M352 HydrophobicContact CD2-CG 3.84Å; F191-M352 HydrophobicContact CD2-SD 4.4Å; F191-M352 HydrophobicContact CE2-CG 4.16Å; F191-M352 HydrophobicContact CE2-SD 4.18Å |
| 192 | P | 92.1 | Very high | 85.9 | Confident | 15 Ų | 15 | 68 Ų | 68 | 10% | 0.097 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 173.4 | -172.1 | 31.7 | -37.2 | 0 | 0 | 0 | 111.5 | Y196 V197 M352 | P192-Y196 HydrophobicContact CB-CD1 3.37Å; P192-Y196 HydrophobicContact CB-CE1 4.08Å; P192-Y196 HydrophobicContact CB-CG 3.73Å; P192-Y196 HydrophobicContact CG-CD1 3.45Å; P192-Y196 VanDerWaalsContact CG-CD1 3.45Å; P192-Y196 HydrophobicContact CG-CE1 3.99Å; P192-Y196 HydrophobicContact CG-CG 4.29Å; P192-V197 HydrophobicContact CG-CG2 3.72Å; P192-M352 HydrophobicContact CG-CE 3.77Å |
| 193 | S | 93.8 | Very high | 86.6 | Confident | 30 Ų | 30 | 67.2 Ų | 67.2 | 21% | 0.21 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 156.5 | 179.4 | 61.3 | 0 | 0 | 0 | 0 | 112 | E175 R182 S195 Y196 V197 | E175-S193 VanDerWaalsContact OE1-CA 3.32Å; E175-S193 WeakPolarHBondContact OE1-CA 3.39Å; E175-S193 WeakPolarHBondContact OE1-CB 3.5Å; R182-S193 VanDerWaalsContact NH2-CA 3.31Å; S193-S195 PolarHBondContact O-N 3.25Å; S193-S195 PolarHBondContact OG-OG 2.99Å; S193-Y196 WeakPolarHBondContact O-CB 3.44Å; S193-Y196 PolarHBondContact O-N 3.02Å; S193-Y196 WeakPolarHBondContact OG-CB 3.36Å; S193-Y196 PolarHBondContact OG-N 3.32Å; S193-V197 PolarHBondContact O-N 3.24Å; S193-V197 VanDerWaalsContact O-N 3.11Å |
| 194 | K | 95.4 | Very high | 87.4 | Confident | 52 Ų | 52 | 60.8 Ų | 60.8 | 23% | 0.226 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -52.8 | -41 | 173.2 | -179.7 | 177.3 | 167 | 170.3 | 0 | 111.4 | I170 D171 L173 E175 Y196 V197 L198 | I170-K194 HydrophobicContact CG2-CG 3.73Å; I170-K194 WeakPolarHBondContact O-CD 3.44Å; I170-K194 WeakPolarHBondContact O-CE 3.43Å; I170-K194 WeakPolarHBondContact O-CG 3.47Å; D171-K194 VanDerWaalsContact CA-NZ 3.33Å; D171-K194 PolarHBondContact O-NZ 3.43Å; D171-K194 IonicContact OD1-NZ 2.9Å; D171-K194 PolarHBondContact OD1-NZ 2.94Å; L173-K194 HydrophobicContact CB-CD 4.31Å; L173-K194 HydrophobicContact CB-CG 4.35Å; L173-K194 HydrophobicContact CD1-CB 4.42Å; L173-K194 HydrophobicContact CD1-CG 4.36Å; E175-K194 PolarHBondContact OE1-N 2.53Å; E175-K194 WeakPolarHBondContact OE2-CB 3.32Å; E175-K194 PolarHBondContact OE2-N 3.46Å; K194-Y196 PolarHBondContact O-N 3.25Å; K194-V197 PolarHBondContact O-N 3.47Å; K194-L198 WeakPolarHBondContact O-CB 3.33Å; K194-L198 PolarHBondContact O-N 3.03Å |
| 195 | S | 96.6 | Very high | 88.2 | Confident | 70 Ų | 70 | 61 Ų | 61 | 49% | 0.49 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 177.9 | 57.9 | 0 | 0 | 0 | 0 | 113.4 | S193 N199 | S193-S195 PolarHBondContact O-N 3.25Å; S193-S195 PolarHBondContact OG-OG 2.99Å; S195-N199 WeakPolarHBondContact O-CB 3.42Å; S195-N199 PolarHBondContact O-N 3.17Å; S195-N199 VanDerWaalsContact O-N 3.08Å; S195-N199 PolarHBondContact O-ND2 2.96Å |
| 196 | Y | 96.4 | Very high | 89.5 | Confident | 75 Ų | 75 | 55.2 Ų | 55.2 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.5 | -51.3 | 176.6 | 179.4 | -84.1 | 0 | 0 | 0 | 110.6 | P192 S193 K194 L198 N199 E200 Y356 | P192-Y196 HydrophobicContact CB-CD1 3.37Å; P192-Y196 HydrophobicContact CB-CE1 4.08Å; P192-Y196 HydrophobicContact CB-CG 3.73Å; P192-Y196 HydrophobicContact CG-CD1 3.45Å; P192-Y196 VanDerWaalsContact CG-CD1 3.45Å; P192-Y196 HydrophobicContact CG-CE1 3.99Å; P192-Y196 HydrophobicContact CG-CG 4.29Å; S193-Y196 WeakPolarHBondContact O-CB 3.44Å; S193-Y196 PolarHBondContact O-N 3.02Å; S193-Y196 WeakPolarHBondContact OG-CB 3.36Å; S193-Y196 PolarHBondContact OG-N 3.32Å; K194-Y196 PolarHBondContact O-N 3.25Å; Y196-L198 VanDerWaalsContact C-N 3.3Å; Y196-L198 PolarHBondContact O-N 2.89Å; Y196-N199 PolarHBondContact O-N 3.12Å; Y196-E200 HydrophobicContact CD1-CG 3.95Å; Y196-E200 HydrophobicContact CE1-CG 3.5Å; Y196-E200 VanDerWaalsContact CE1-CG 3.5Å; Y196-E200 WeakPolarHBondContact O-CG 3.09Å; Y196-E200 PolarHBondContact O-N 3.29Å; Y196-E200 PolarHBondContact OH-OE1 2.93Å; Y196-Y356 HydrophobicContact CE1-CE1 4.17Å; Y196-Y356 WeakPolarHBondContact CE1-OH 3.35Å; Y196-Y356 WeakPolarHBondContact OH-CE1 3.42Å |
| 197 | V | 97 | Very high | 90.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.4 | -43 | 179.4 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | I170 F191 P192 S193 K194 N199 E200 V201 L325 V329 | I170-V197 HydrophobicContact CD1-CG1 3.88Å; I170-V197 HydrophobicContact CG1-CG1 4.09Å; F191-V197 HydrophobicContact CE1-CG2 4.03Å; F191-V197 HydrophobicContact CZ-CG2 3.85Å; P192-V197 HydrophobicContact CG-CG2 3.72Å; S193-V197 PolarHBondContact O-N 3.24Å; S193-V197 VanDerWaalsContact O-N 3.11Å; K194-V197 PolarHBondContact O-N 3.47Å; V197-N199 PolarHBondContact O-N 3.39Å; V197-E200 PolarHBondContact O-N 3.21Å; V197-V201 WeakPolarHBondContact O-CG2 3.48Å; V197-V201 PolarHBondContact O-N 2.73Å; V197-L325 HydrophobicContact CG1-CD2 4.48Å; V197-V329 HydrophobicContact CG1-CG2 3.69Å |
| 198 | L | 97.9 | Very high | 91.3 | Very high | 59 Ų | 59 | 52.1 Ų | 52.1 | 31% | 0.309 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.5 | -48.1 | 176.5 | -178.8 | 59.8 | 0 | 0 | 0 | 112 | F167 I170 K194 Y196 E200 V201 I202 | F167-L198 HydrophobicContact CD1-CD1 3.66Å; F167-L198 HydrophobicContact CE1-CD1 3.88Å; I170-L198 HydrophobicContact CG2-CB 4.13Å; I170-L198 HydrophobicContact CG2-CD1 4.45Å; K194-L198 WeakPolarHBondContact O-CB 3.33Å; K194-L198 PolarHBondContact O-N 3.03Å; Y196-L198 VanDerWaalsContact C-N 3.3Å; Y196-L198 PolarHBondContact O-N 2.89Å; L198-E200 VanDerWaalsContact C-N 3.35Å; L198-E200 PolarHBondContact O-N 3.14Å; L198-V201 PolarHBondContact O-N 2.65Å; L198-I202 HydrophobicContact CD1-CD1 4.03Å; L198-I202 HydrophobicContact CD1-CG1 4.41Å; L198-I202 HydrophobicContact CG-CD1 3.9Å; L198-I202 VanDerWaalsContact O-CG1 3.32Å; L198-I202 WeakPolarHBondContact O-CG1 3.4Å; L198-I202 PolarHBondContact O-N 3.21Å |
| 199 | N | 97.8 | Very high | 93 | Very high | 92 Ų | 92 | 44.2 Ų | 44.2 | 49% | 0.492 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 179.5 | -73.1 | -21.3 | 0 | 0 | 0 | 111.7 | S195 Y196 V197 V201 I202 Q203 | S195-N199 WeakPolarHBondContact O-CB 3.42Å; S195-N199 PolarHBondContact O-N 3.17Å; S195-N199 VanDerWaalsContact O-N 3.08Å; S195-N199 PolarHBondContact O-ND2 2.96Å; Y196-N199 PolarHBondContact O-N 3.12Å; V197-N199 PolarHBondContact O-N 3.39Å; N199-V201 PolarHBondContact O-N 2.73Å; N199-I202 PolarHBondContact O-N 2.84Å; N199-Q203 WeakPolarHBondContact O-CB 3.39Å; N199-Q203 VanDerWaalsContact O-CG 3.32Å; N199-Q203 WeakPolarHBondContact O-CG 3.45Å; N199-Q203 PolarHBondContact O-N 2.98Å |
| 200 | E | 97.7 | Very high | 94.6 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.3 | -43 | 176.8 | -69.2 | -65.1 | 173.4 | 0 | 0 | 112 | Y196 V197 L198 Q203 L204 L325 Y355 K359 | Y196-E200 HydrophobicContact CD1-CG 3.95Å; Y196-E200 HydrophobicContact CE1-CG 3.5Å; Y196-E200 VanDerWaalsContact CE1-CG 3.5Å; Y196-E200 WeakPolarHBondContact O-CG 3.09Å; Y196-E200 PolarHBondContact O-N 3.29Å; Y196-E200 PolarHBondContact OH-OE1 2.93Å; V197-E200 PolarHBondContact O-N 3.21Å; L198-E200 VanDerWaalsContact C-N 3.35Å; L198-E200 PolarHBondContact O-N 3.14Å; E200-Q203 PolarHBondContact O-N 2.97Å; E200-Q203 PolarHBondContact OE2-OE1 3.22Å; E200-L204 VanDerWaalsContact O-CG 3.31Å; E200-L204 WeakPolarHBondContact O-CG 3.19Å; E200-L204 PolarHBondContact O-N 3.41Å; E200-L325 HydrophobicContact CB-CD1 3.97Å; E200-Y355 HydrophobicContact CG-CE1 4.4Å; E200-Y355 PolarHBondContact OE2-OH 3.37Å; E200-K359 IonicContact OE1-NZ 3.14Å; E200-K359 PolarHBondContact OE1-NZ 3.25Å; E200-K359 IonicContact OE2-NZ 2.7Å; E200-K359 PolarHBondContact OE2-NZ 2.81Å |
| 201 | V | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 176.1 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | F163 I166 F167 I170 V197 L198 N199 L204 K205 L325 | F163-V201 HydrophobicContact CD1-CG1 4.05Å; F163-V201 HydrophobicContact CE1-CG1 4.32Å; I166-V201 HydrophobicContact CD1-CG1 4.19Å; I166-V201 HydrophobicContact CD1-CG2 3.5Å; I166-V201 HydrophobicContact CG1-CG2 4.22Å; I166-V201 HydrophobicContact CG2-CG1 3.75Å; F167-V201 HydrophobicContact CD1-CG1 4.27Å; F167-V201 HydrophobicContact CE1-CB 4.24Å; F167-V201 HydrophobicContact CE1-CG1 3.54Å; F167-V201 HydrophobicContact CZ-CG1 4.05Å; I170-V201 HydrophobicContact CD1-CB 4.43Å; I170-V201 HydrophobicContact CD1-CG2 3.85Å; V197-V201 WeakPolarHBondContact O-CG2 3.48Å; V197-V201 PolarHBondContact O-N 2.73Å; L198-V201 PolarHBondContact O-N 2.65Å; N199-V201 PolarHBondContact O-N 2.73Å; V201-L204 PolarHBondContact O-N 2.79Å; V201-K205 VanDerWaalsContact O-CB 3.32Å; V201-K205 WeakPolarHBondContact O-CB 3.3Å; V201-K205 PolarHBondContact O-N 3.45Å; V201-L325 HydrophobicContact CG2-CB 4.31Å; V201-L325 HydrophobicContact CG2-CD1 3.68Å |
| 202 | I | 97.8 | Very high | 95.6 | Very high | 61 Ų | 61 | 54 Ų | 54 | 31% | 0.313 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 177.3 | -69.6 | 168.4 | 0 | 0 | 0 | 110.4 | F167 L198 N199 L204 K205 D206 | F167-I202 HydrophobicContact CE1-CG1 4.05Å; F167-I202 HydrophobicContact CZ-CG1 4.26Å; L198-I202 HydrophobicContact CD1-CD1 4.03Å; L198-I202 HydrophobicContact CD1-CG1 4.41Å; L198-I202 HydrophobicContact CG-CD1 3.9Å; L198-I202 VanDerWaalsContact O-CG1 3.32Å; L198-I202 WeakPolarHBondContact O-CG1 3.4Å; L198-I202 PolarHBondContact O-N 3.21Å; N199-I202 PolarHBondContact O-N 2.84Å; I202-L204 PolarHBondContact O-N 3.14Å; I202-K205 PolarHBondContact O-N 2.91Å; I202-D206 WeakPolarHBondContact CG2-OD2 3.32Å; I202-D206 WeakPolarHBondContact O-CB 3.3Å; I202-D206 PolarHBondContact O-N 3.43Å |
| 203 | Q | 96.4 | Very high | 95.6 | Very high | 58 Ų | 58 | 56.1 Ų | 56.1 | 27% | 0.271 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 178.1 | -74.9 | -177.9 | -31.8 | 0 | 0 | 112.1 | N199 E200 D206 Q207 L371 | N199-Q203 WeakPolarHBondContact O-CB 3.39Å; N199-Q203 VanDerWaalsContact O-CG 3.32Å; N199-Q203 WeakPolarHBondContact O-CG 3.45Å; N199-Q203 PolarHBondContact O-N 2.98Å; E200-Q203 PolarHBondContact O-N 2.97Å; E200-Q203 PolarHBondContact OE2-OE1 3.22Å; Q203-D206 PolarHBondContact O-N 2.75Å; Q203-Q207 WeakPolarHBondContact O-CB 3.44Å; Q203-Q207 WeakPolarHBondContact O-CG 3.38Å; Q203-Q207 PolarHBondContact O-N 3.21Å; Q203-L371 HydrophobicContact CB-CD2 4.23Å; Q203-L371 PolarHBondContact NE2-OXT 2.77Å |
| 204 | L | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -60.9 | -46.9 | 175.5 | -72 | 165.8 | 0 | 0 | 0 | 111.8 | E200 V201 I202 Y208 L209 L321 V322 L325 Y355 L371 | E200-L204 VanDerWaalsContact O-CG 3.31Å; E200-L204 WeakPolarHBondContact O-CG 3.19Å; E200-L204 PolarHBondContact O-N 3.41Å; V201-L204 PolarHBondContact O-N 2.79Å; I202-L204 PolarHBondContact O-N 3.14Å; L204-Y208 HydrophobicContact CD2-CD2 3.9Å; L204-Y208 HydrophobicContact CD2-CE2 4.42Å; L204-Y208 WeakPolarHBondContact O-CB 3.35Å; L204-Y208 PolarHBondContact O-N 3.28Å; L204-L209 PolarHBondContact O-N 3.42Å; L204-L321 HydrophobicContact CD1-CB 4.09Å; L204-L321 HydrophobicContact CD2-CB 4.02Å; L204-L321 HydrophobicContact CD2-CD1 3.66Å; L204-L321 HydrophobicContact CD2-CG 4.49Å; L204-V322 HydrophobicContact CB-CG2 4.24Å; L204-V322 HydrophobicContact CD1-CG2 3.97Å; L204-L325 HydrophobicContact CD1-CD1 3.63Å; L204-Y355 HydrophobicContact CD1-CE2 4.02Å; L204-L371 HydrophobicContact CD2-CD1 3.54Å; L204-L371 HydrophobicContact CG-CD1 4.28Å |
| 205 | K | 96.7 | Very high | 95.5 | Very high | 77 Ų | 77 | 57.9 Ų | 57.9 | 34% | 0.335 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -58.6 | -49.5 | 178.5 | -175.3 | -172.9 | 169.4 | -154.5 | 0 | 111.4 | F163 F167 V201 I202 L209 F210 | F163-K205 HydrophobicContact CB-CD 4.35Å; F163-K205 HydrophobicContact CD1-CB 4.03Å; F163-K205 HydrophobicContact CD1-CD 3.96Å; F163-K205 HydrophobicContact CD1-CG 4.01Å; F163-K205 HydrophobicContact CD2-CD 4.21Å; F163-K205 HydrophobicContact CD2-CG 4.08Å; F163-K205 HydrophobicContact CE1-CB 3.56Å; F163-K205 HydrophobicContact CE1-CD 4.29Å; F163-K205 HydrophobicContact CE1-CG 3.83Å; F163-K205 HydrophobicContact CE2-CB 4.43Å; F163-K205 HydrophobicContact CE2-CG 3.9Å; F163-K205 HydrophobicContact CG-CD 3.91Å; F163-K205 HydrophobicContact CG-CG 4.13Å; F163-K205 HydrophobicContact CZ-CB 3.78Å; F163-K205 HydrophobicContact CZ-CG 3.76Å; F167-K205 HydrophobicContact CE2-CD 4.4Å; F167-K205 HydrophobicContact CZ-CD 4.17Å; V201-K205 VanDerWaalsContact O-CB 3.32Å; V201-K205 WeakPolarHBondContact O-CB 3.3Å; V201-K205 PolarHBondContact O-N 3.45Å; I202-K205 PolarHBondContact O-N 2.91Å; K205-L209 CarbonylContact O-C 3.57Å; K205-F210 WeakPolarHBondContact O-CA 3.18Å; K205-F210 PolarHBondContact O-N 3Å |
| 206 | D | 95.8 | Very high | 95.4 | Very high | 85 Ų | 85 | 55.8 Ų | 55.8 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -86.7 | -25.4 | -169 | -66 | -10.6 | 0 | 0 | 0 | 113 | I202 Q203 | I202-D206 WeakPolarHBondContact CG2-OD2 3.32Å; I202-D206 WeakPolarHBondContact O-CB 3.3Å; I202-D206 PolarHBondContact O-N 3.43Å; Q203-D206 PolarHBondContact O-N 2.75Å |
| 207 | Q | 93.4 | Very high | 95.3 | Very high | 94 Ų | 94 | 52.4 Ų | 52.4 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -102.4 | -41.8 | -177.9 | -57.9 | -171.5 | 19.3 | 0 | 0 | 113.7 | Q203 L371 | Q203-Q207 WeakPolarHBondContact O-CB 3.44Å; Q203-Q207 WeakPolarHBondContact O-CG 3.38Å; Q203-Q207 PolarHBondContact O-N 3.21Å; Q207-L371 HydrophobicContact CB-CD2 4.14Å; Q207-L371 HydrophobicContact CG-CD2 4.49Å |
| 208 | Y | 93.8 | Very high | 95 | Very high | 24 Ų | 24 | 52.6 Ų | 52.6 | 9% | 0.094 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -100.6 | -29.7 | -174.4 | -73.2 | 5.7 | 0 | 0 | 0 | 112.6 | L204 C318 L321 L362 L368 P369 L371 | L204-Y208 HydrophobicContact CD2-CD2 3.9Å; L204-Y208 HydrophobicContact CD2-CE2 4.42Å; L204-Y208 WeakPolarHBondContact O-CB 3.35Å; L204-Y208 PolarHBondContact O-N 3.28Å; Y208-C318 HydrophobicContact CD2-CB 4.34Å; Y208-L321 HydrophobicContact CE2-CD1 4.44Å; Y208-L362 HydrophobicContact CE2-CD2 4.43Å; Y208-L368 HydrophobicContact CD1-CD2 3.72Å; Y208-L368 HydrophobicContact CD2-CD1 4.14Å; Y208-L368 HydrophobicContact CE1-CB 3.9Å; Y208-L368 HydrophobicContact CE1-CD1 4.36Å; Y208-L368 HydrophobicContact CE1-CD2 3.76Å; Y208-L368 HydrophobicContact CE1-CG 4.24Å; Y208-L368 HydrophobicContact CE2-CB 4.49Å; Y208-L368 HydrophobicContact CE2-CD1 3.84Å; Y208-L368 HydrophobicContact CG-CD1 4.49Å; Y208-L368 HydrophobicContact CG-CD2 4.17Å; Y208-P369 HydrophobicContact CE1-CG 4.01Å; Y208-P369 WeakPolarHBondContact CE1-O 3.38Å; Y208-P369 PolarHBondContact OH-O 3.02Å; Y208-L371 HydrophobicContact CD1-CD2 4.08Å; Y208-L371 HydrophobicContact CD2-CD1 3.97Å; Y208-L371 HydrophobicContact CD2-CG 4.48Å; Y208-L371 HydrophobicContact CE1-CD1 4.36Å; Y208-L371 HydrophobicContact CE1-CD2 3.72Å; Y208-L371 HydrophobicContact CE1-CG 3.84Å; Y208-L371 HydrophobicContact CE2-CD1 3.43Å; Y208-L371 VanDerWaalsContact CE2-CD1 3.43Å; Y208-L371 HydrophobicContact CE2-CD2 4.28Å; Y208-L371 HydrophobicContact CE2-CG 3.79Å; Y208-L371 VanDerWaalsContact CZ-CG 3.43Å; Y208-L371 WeakPolarHBondContact OH-CG 2.77Å |
| 209 | L | 95.5 | Very high | 94.9 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -123.7 | 23.6 | -168.6 | -61.1 | 170.2 | 0 | 0 | 0 | 112.9 | F163 L204 K205 N211 P212 E315 C318 F319 V322 | F163-L209 HydrophobicContact CZ-CB 4.34Å; F163-L209 HydrophobicContact CZ-CD1 3.97Å; L204-L209 PolarHBondContact O-N 3.42Å; K205-L209 CarbonylContact O-C 3.57Å; L209-N211 VanDerWaalsContact C-N 3.31Å; L209-N211 PolarHBondContact O-N 3.38Å; L209-P212 VanDerWaalsContact O-CD 3.27Å; L209-P212 WeakPolarHBondContact O-CD 3.35Å; L209-P212 VanDerWaalsContact O-CG 3.3Å; L209-P212 WeakPolarHBondContact O-CG 3.27Å; L209-E315 HydrophobicContact CD2-CG 4.26Å; L209-C318 HydrophobicContact CD2-CB 3.75Å; L209-C318 HydrophobicContact CG-CB 4.19Å; L209-F319 HydrophobicContact CD1-CD1 3.62Å; L209-F319 HydrophobicContact CD1-CE1 3.59Å; L209-F319 HydrophobicContact CD1-CG 4.26Å; L209-F319 HydrophobicContact CD1-CZ 4.21Å; L209-F319 HydrophobicContact CD2-CD1 4.13Å; L209-F319 HydrophobicContact CD2-CD2 3.89Å; L209-F319 HydrophobicContact CD2-CE1 3.91Å; L209-F319 HydrophobicContact CD2-CE2 3.65Å; L209-F319 HydrophobicContact CD2-CG 4.13Å; L209-F319 HydrophobicContact CD2-CZ 3.65Å; L209-F319 HydrophobicContact CG-CE1 4.24Å; L209-F319 HydrophobicContact CG-CZ 4.38Å; L209-V322 HydrophobicContact CD1-CG2 3.64Å |
| 210 | F | 93.1 | Very high | 94.8 | Very high | 168 Ų | 168 | 45.4 Ų | 45.4 | 74% | 0.737 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -64.8 | -34.3 | -177.8 | 176.1 | -98.7 | 0 | 0 | 0 | 113 | K205 | K205-F210 WeakPolarHBondContact O-CA 3.18Å; K205-F210 PolarHBondContact O-N 3Å |
| 211 | N | 92.1 | Very high | 94.8 | Very high | 136 Ų | 136 | 45.7 Ų | 45.7 | 73% | 0.727 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -139.7 | 75.9 | 178.3 | -173.7 | 42.3 | 0 | 0 | 0 | 110.7 | L209 | L209-N211 VanDerWaalsContact C-N 3.31Å; L209-N211 PolarHBondContact O-N 3.38Å |
| 212 | P | 93.7 | Very high | 94.7 | Very high | 25 Ų | 25 | 46.7 Ų | 46.7 | 16% | 0.162 | 23% | 0.228 | C | C | . | . | trans | -63.2 | 139.8 | -177.7 | -23.1 | 36.8 | 0 | 0 | 0 | 111.9 | L209 Y249 E315 F319 | L209-P212 VanDerWaalsContact O-CD 3.27Å; L209-P212 WeakPolarHBondContact O-CD 3.35Å; L209-P212 VanDerWaalsContact O-CG 3.3Å; L209-P212 WeakPolarHBondContact O-CG 3.27Å; P212-Y249 HydrophobicContact CB-CD1 3.86Å; P212-Y249 HydrophobicContact CB-CE1 3.96Å; P212-Y249 HydrophobicContact CG-CD1 4Å; P212-Y249 HydrophobicContact CG-CE1 3.65Å; P212-E315 WeakPolarHBondContact CA-OE2 3.5Å; P212-E315 WeakPolarHBondContact CB-OE2 3.34Å; P212-F319 HydrophobicContact CB-CE2 4.4Å; P212-F319 HydrophobicContact CB-CZ 4.29Å; P212-F319 HydrophobicContact CG-CZ 4.17Å | ||
| 213 | I | 92.9 | Very high | 94.6 | Very high | 60 Ų | 60 | 43.8 Ų | 43.8 | 31% | 0.308 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -79.8 | -26.1 | 176 | 62.9 | 154.8 | 0 | 0 | 0 | 112.1 | Y308 Q311 W312 E315 | I213-Y308 HydrophobicContact CD1-CE2 4.15Å; I213-Q311 HydrophobicContact CD1-CB 3.57Å; I213-W312 HydrophobicContact CD1-CG 4.01Å; I213-E315 WeakPolarHBondContact CG1-OE2 3.46Å; I213-E315 PolarHBondContact N-OE2 2.83Å |
| 214 | S | 93.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -72.9 | 140.9 | 175.5 | 63.8 | 0 | 0 | 0 | 0 | 111.3 | A251 E315 | S214-A251 VanDerWaalsContact OG-CB 3.27Å; S214-A251 WeakPolarHBondContact OG-CB 3.4Å; S214-A251 PolarHBondContact OG-N 2.76Å; S214-E315 WeakPolarHBondContact CA-OE1 3.49Å; S214-E315 WeakPolarHBondContact CB-OE1 3.42Å; S214-E315 PolarHBondContact N-OE1 3.39Å; S214-E315 PolarHBondContact OG-OE1 3.14Å |
| 215 | K | 93.3 | Very high | 94.5 | Very high | 113 Ų | 113 | 43.2 Ų | 43.2 | 49% | 0.491 | 21% | 0.214 | S | C | . | . | P | Polyproline II helix | trans | -71.4 | 150.7 | 178.3 | -66.6 | -179.7 | 179 | 177.6 | 0 | 110.4 | V217 A250 | K215-V217 HydrophobicContact CB-CG1 4.13Å; K215-V217 PolarHBondContact O-N 2.84Å; K215-A250 PolarHBondContact O-N 2.92Å |
| 216 | V | 93.7 | Very high | 94.3 | Very high | 26 Ų | 26 | 41.7 Ų | 41.7 | 16% | 0.158 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 121.6 | 163.1 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | P158 L247 N248 Y249 | P158-V216 HydrophobicContact CB-CB 4.39Å; P158-V216 HydrophobicContact CB-CG1 4.04Å; P158-V216 HydrophobicContact CG-CB 4.39Å; V216-L247 HydrophobicContact CG1-CB 4Å; V216-N248 CarbonylContact C-O 3.04Å; V216-N248 VanDerWaalsContact CA-O 3.28Å; V216-N248 WeakPolarHBondContact CA-O 3.35Å; V216-Y249 HydrophobicContact CG2-CD1 4.07Å; V216-Y249 HydrophobicContact CG2-CE1 3.97Å |
| 217 | V | 93.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 171.1 | -176.6 | -61.5 | 0 | 0 | 0 | 0 | 110.2 | H136 K215 C219 L247 N248 A250 Y289 | H136-V217 HydrophobicContact CB-CB 4.05Å; H136-V217 HydrophobicContact CB-CG1 4.35Å; H136-V217 HydrophobicContact CB-CG2 3.73Å; H136-V217 VanDerWaalsContact CG-CG2 3.49Å; H136-V217 WeakPolarHBondContact O-CB 2.89Å; H136-V217 WeakPolarHBondContact O-CG1 3.31Å; K215-V217 HydrophobicContact CB-CG1 4.13Å; K215-V217 PolarHBondContact O-N 2.84Å; V217-C219 VanDerWaalsContact CG2-SG 3.58Å; V217-C219 PolarHBondContact O-N 3.14Å; V217-L247 CarbonylContact O-C 3.57Å; V217-L247 WeakPolarHBondContact O-CA 3.39Å; V217-N248 PolarHBondContact N-O 2.81Å; V217-N248 PolarHBondContact O-N 3.42Å; V217-N248 VanDerWaalsContact O-O 3.07Å; V217-A250 HydrophobicContact CG2-CB 3.73Å; V217-Y289 HydrophobicContact CG1-CE2 4.29Å |
| 218 | L | 92 | Very high | 94.4 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 114 | 168.1 | -170.9 | 71.6 | 0 | 0 | 0 | 109 | Y83 V87 L135 H136 L138 C245 L247 | Y83-L218 HydrophobicContact CD1-CD1 4.05Å; Y83-L218 HydrophobicContact CE1-CD1 4Å; V87-L218 HydrophobicContact CG1-CD2 4.16Å; L135-L218 HydrophobicContact CD1-CD2 4.29Å; H136-L218 PolarHBondContact CD2-O 3.47Å; L138-L218 HydrophobicContact CD1-CD2 4.31Å; L218-C245 VanDerWaalsContact CD1-SG 3.58Å; L218-L247 HydrophobicContact CB-CD2 4.5Å; L218-L247 HydrophobicContact CD1-CD2 4.42Å |
| 219 | C | 95.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 154.2 | -178.6 | -72.2 | 0 | 0 | 0 | 0 | 111.4 | V217 N221 C245 D246 N248 D253 | V217-C219 VanDerWaalsContact CG2-SG 3.58Å; V217-C219 PolarHBondContact O-N 3.14Å; C219-N221 WeakPolarHBondContact CB-OD1 3.5Å; C219-C245 VanDerWaalsContact O-CA 3.29Å; C219-C245 WeakPolarHBondContact O-CA 3.23Å; C219-C245 PolarHBondContact O-SG 3.38Å; C219-D246 PolarHBondContact N-O 2.79Å; C219-D246 PolarHBondContact O-N 2.78Å; C219-N248 HydrophobicContact CB-CB 3.85Å; C219-D253 HydrophobicContact CB-CB 3.94Å |
| 220 | H | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -71.2 | -38.3 | 172.1 | -169.1 | -77 | 0 | 0 | 0 | 111.5 | L135 D222 L223 I240 D241 M242 Y244 D253 | L135-H220 HydrophobicContact CD2-CB 3.9Å; H220-D222 PolarHBondContact CE1-O 2.87Å; H220-D222 PolarHBondContact ND1-N 3.39Å; H220-D222 PolarHBondContact ND1-O 3.15Å; H220-D222 PolarHBondContact O-N 3.26Å; H220-L223 HydrophobicContact CB-CB 4.22Å; H220-L223 HydrophobicContact CB-CD1 4.45Å; H220-L223 PolarHBondContact ND1-N 2.67Å; H220-I240 PolarHBondContact CE1-O 3.3Å; H220-I240 PolarHBondContact NE2-O 2.83Å; H220-D241 PolarHBondContact CE1-O 2.9Å; H220-M242 PolarHBondContact CD2-SD 3.3Å; H220-Y244 CarbonylContact O-C 3.55Å; H220-D253 WeakPolarHBondContact CB-OD2 3.42Å; H220-D253 PolarHBondContact N-OD2 3.28Å | ||
| 221 | N | 97 | Very high | 94.6 | Very high | 16 Ų | 16 | 26 Ų | 26 | 9% | 0.086 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 66 | -17.8 | -179.2 | -61.9 | -43.5 | 0 | 0 | 0 | 116.2 | C219 Y244 D246 N248 Y252 D253 N256 | C219-N221 WeakPolarHBondContact CB-OD1 3.5Å; N221-Y244 WeakPolarHBondContact CB-O 3.25Å; N221-Y244 PolarHBondContact ND2-O 3.22Å; N221-D246 PolarHBondContact ND2-N 3.01Å; N221-N248 WeakPolarHBondContact OD1-CB 3.42Å; N221-N248 PolarHBondContact OD1-ND2 2.69Å; N221-Y252 HydrophobicContact CB-CE1 4.3Å; N221-D253 WeakPolarHBondContact CA-OD1 3.25Å; N221-D253 PolarHBondContact N-OD1 3.08Å; N221-N256 PolarHBondContact O-ND2 3.24Å |
| 222 | D | 95.8 | Very high | 94.7 | Very high | 20 Ų | 20 | 24 Ų | 24 | 11% | 0.107 | 14% | 0.141 | C | C | . | . | trans | -132.6 | 49.7 | 175.6 | -177.2 | 26.4 | 0 | 0 | 0 | 113.1 | H220 N224 N227 Y244 W327 | H220-D222 PolarHBondContact CE1-O 2.87Å; H220-D222 PolarHBondContact ND1-N 3.39Å; H220-D222 PolarHBondContact ND1-O 3.15Å; H220-D222 PolarHBondContact O-N 3.26Å; D222-N224 VanDerWaalsContact C-N 3.34Å; D222-N224 PolarHBondContact O-N 3.22Å; D222-N224 PolarHBondContact O-ND2 2.65Å; D222-N224 PolarHBondContact OD1-ND2 2.85Å; D222-N224 PolarHBondContact OD2-ND2 3.47Å; D222-N227 PolarHBondContact O-ND2 3.27Å; D222-N227 PolarHBondContact OD2-ND2 2.86Å; D222-Y244 HydrophobicContact CB-CD2 3.63Å; D222-Y244 HydrophobicContact CB-CE2 4.41Å; D222-Y244 HydrophobicContact CB-CG 4.29Å; D222-W327 HydrophobicContact CB-CH2 3.95Å; D222-W327 HydrophobicContact CB-CZ2 3.87Å | ||
| 223 | L | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -84.5 | 72.5 | -175.3 | -162.1 | 72.7 | 0 | 0 | 0 | 113.7 | I128 M132 H220 I228 L239 H257 | I128-L223 HydrophobicContact CG2-CD2 3.93Å; M132-L223 HydrophobicContact CE-CB 4.46Å; M132-L223 HydrophobicContact CE-CD2 3.41Å; M132-L223 VanDerWaalsContact CE-CD2 3.41Å; H220-L223 HydrophobicContact CB-CB 4.22Å; H220-L223 HydrophobicContact CB-CD1 4.45Å; H220-L223 PolarHBondContact ND1-N 2.67Å; L223-I228 HydrophobicContact CD1-CD1 4.4Å; L223-I228 HydrophobicContact CD1-CG1 3.8Å; L223-I228 HydrophobicContact CD2-CD1 4.27Å; L223-I228 HydrophobicContact CD2-CG1 4.43Å; L223-I228 HydrophobicContact CG-CD1 4.01Å; L223-I228 HydrophobicContact CG-CG1 3.98Å; L223-L239 HydrophobicContact CD1-CB 4.14Å; L223-L239 HydrophobicContact CD1-CD1 4.27Å; L223-L239 HydrophobicContact CD1-CD2 3.71Å; L223-L239 HydrophobicContact CD1-CG 4.21Å; L223-L239 HydrophobicContact CD2-CD2 4.22Å; L223-H257 PolarHBondContact O-ND1 2.61Å | ||
| 224 | N | 95.4 | Very high | 94.7 | Very high | 28 Ų | 28 | 25.4 Ų | 25.4 | 15% | 0.15 | 15% | 0.15 | C | C | . | . | trans | -88.4 | 174.9 | 172.1 | 65.7 | 62.3 | 0 | 0 | 0 | 112.8 | D222 A226 N227 E260 | D222-N224 VanDerWaalsContact C-N 3.34Å; D222-N224 PolarHBondContact O-N 3.22Å; D222-N224 PolarHBondContact O-ND2 2.65Å; D222-N224 PolarHBondContact OD1-ND2 2.85Å; D222-N224 PolarHBondContact OD2-ND2 3.47Å; N224-A226 VanDerWaalsContact C-N 3.31Å; N224-A226 PolarHBondContact O-N 3.37Å; N224-A226 WeakPolarHBondContact OD1-CB 2.99Å; N224-A226 PolarHBondContact OD1-N 3.31Å; N224-N227 PolarHBondContact ND2-ND2 3.27Å; N224-N227 VanDerWaalsContact ND2-ND2 3.11Å; N224-N227 PolarHBondContact O-N 3.22Å; N224-N227 VanDerWaalsContact O-N 3.14Å; N224-N227 PolarHBondContact OD1-N 3.13Å; N224-E260 HydrophobicContact CB-CB 4.02Å; N224-E260 HydrophobicContact CB-CG 3.7Å; N224-E260 WeakPolarHBondContact CB-OE2 3.04Å | ||
| 225 | A | 95.2 | Very high | 94.8 | Very high | 18 Ų | 18 | 30 Ų | 30 | 15% | 0.149 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -58.6 | -37.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I114 L116 L119 N227 I228 | I114-A225 HydrophobicContact CG2-CB 4.19Å; I114-A225 WeakPolarHBondContact CG2-O 3.49Å; L116-A225 HydrophobicContact CD2-CB 4.4Å; L119-A225 HydrophobicContact CD1-CB 3.5Å; L119-A225 VanDerWaalsContact CD1-CB 3.5Å; A225-N227 PolarHBondContact O-N 2.78Å; A225-I228 PolarHBondContact O-N 3.37Å |
| 226 | A | 93.5 | Very high | 94.8 | Very high | 46 Ų | 46 | 26.8 Ų | 26.8 | 38% | 0.38 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -69.3 | -26.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N224 I228 | N224-A226 VanDerWaalsContact C-N 3.31Å; N224-A226 PolarHBondContact O-N 3.37Å; N224-A226 WeakPolarHBondContact OD1-CB 2.99Å; N224-A226 PolarHBondContact OD1-N 3.31Å; A226-I228 VanDerWaalsContact C-N 3.3Å; A226-I228 PolarHBondContact O-N 3.15Å |
| 227 | N | 94.9 | Very high | 94.9 | Very high | 11 Ų | 11 | 25.9 Ų | 25.9 | 6% | 0.059 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -87.4 | 5 | 179.5 | -68.9 | -16.3 | 0 | 0 | 0 | 113.7 | D222 N224 A225 L239 I240 D241 | D222-N227 PolarHBondContact O-ND2 3.27Å; D222-N227 PolarHBondContact OD2-ND2 2.86Å; N224-N227 PolarHBondContact ND2-ND2 3.27Å; N224-N227 VanDerWaalsContact ND2-ND2 3.11Å; N224-N227 PolarHBondContact O-N 3.22Å; N224-N227 VanDerWaalsContact O-N 3.14Å; N224-N227 PolarHBondContact OD1-N 3.13Å; A225-N227 PolarHBondContact O-N 2.78Å; N227-L239 WeakPolarHBondContact O-CA 3.44Å; N227-I240 HydrophobicContact CB-CG1 4.48Å; N227-I240 PolarHBondContact O-N 2.93Å; N227-D241 WeakPolarHBondContact OD1-CB 3.45Å |
| 228 | I | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 106.4 | 177.3 | -59 | 162.4 | 0 | 0 | 0 | 109.4 | D113 I114 L119 I128 L223 A225 A226 V237 L239 | D113-I228 CarbonylContact C-O 3.58Å; D113-I228 WeakPolarHBondContact CA-O 3.48Å; I114-I228 HydrophobicContact CB-CB 4.46Å; I114-I228 HydrophobicContact CB-CG2 4.25Å; I114-I228 HydrophobicContact CG2-CB 3.73Å; I114-I228 HydrophobicContact CG2-CD1 4.2Å; I114-I228 HydrophobicContact CG2-CG2 3.92Å; I114-I228 PolarHBondContact N-O 2.95Å; L119-I228 HydrophobicContact CD2-CD1 4.02Å; I128-I228 HydrophobicContact CD1-CD1 4Å; I128-I228 HydrophobicContact CD1-CG2 4.45Å; I128-I228 HydrophobicContact CG1-CD1 4.25Å; I128-I228 HydrophobicContact CG1-CG2 4.14Å; I128-I228 HydrophobicContact CG2-CD1 4.16Å; L223-I228 HydrophobicContact CD1-CD1 4.4Å; L223-I228 HydrophobicContact CD1-CG1 3.8Å; L223-I228 HydrophobicContact CD2-CD1 4.27Å; L223-I228 HydrophobicContact CD2-CG1 4.43Å; L223-I228 HydrophobicContact CG-CD1 4.01Å; L223-I228 HydrophobicContact CG-CG1 3.98Å; A225-I228 PolarHBondContact O-N 3.37Å; A226-I228 VanDerWaalsContact C-N 3.3Å; A226-I228 PolarHBondContact O-N 3.15Å; I228-V237 HydrophobicContact CG2-CB 3.93Å; I228-V237 HydrophobicContact CG2-CG1 4.08Å; I228-L239 HydrophobicContact CG1-CD2 4.35Å |
| 229 | I | 95.6 | Very high | 95.1 | Very high | 11 Ų | 11 | 27.4 Ų | 27.4 | 6% | 0.056 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 116.2 | 175.1 | -55 | -55.3 | 0 | 0 | 0 | 109.6 | I109 D113 V237 H238 I240 | I109-I229 HydrophobicContact CG2-CB 4.38Å; I109-I229 HydrophobicContact CG2-CG2 4.04Å; D113-I229 WeakPolarHBondContact OD1-CD1 3.48Å; I229-V237 CarbonylContact O-C 3.6Å; I229-V237 VanDerWaalsContact O-CA 3.26Å; I229-V237 WeakPolarHBondContact O-CA 3.3Å; I229-H238 HydrophobicContact CB-CB 4.36Å; I229-H238 PolarHBondContact N-O 3.36Å; I229-H238 PolarHBondContact O-N 2.95Å; I229-I240 HydrophobicContact CD1-CD1 3.83Å; I229-I240 HydrophobicContact CG1-CD1 3.87Å; I229-I240 HydrophobicContact CG1-CG1 4.24Å; I229-I240 HydrophobicContact CG1-CG2 3.99Å |
| 230 | L | 96.6 | Very high | 94.9 | Very high | 13 Ų | 13 | 28.9 Ų | 28.9 | 7% | 0.068 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 122.1 | 169 | -177.4 | 67.7 | 0 | 0 | 0 | 109.2 | G111 N112 K118 Y124 V237 | G111-L230 VanDerWaalsContact CA-O 3.23Å; G111-L230 WeakPolarHBondContact CA-O 3.43Å; N112-L230 PolarHBondContact N-O 3.11Å; N112-L230 VanDerWaalsContact N-O 3.11Å; N112-L230 PolarHBondContact O-N 3.08Å; K118-L230 HydrophobicContact CD-CD2 3.98Å; Y124-L230 HydrophobicContact CD1-CD1 3.85Å; Y124-L230 HydrophobicContact CD1-CD2 4.37Å; Y124-L230 HydrophobicContact CE1-CD1 3.83Å; Y124-L230 HydrophobicContact CE1-CD2 3.81Å; L230-V237 HydrophobicContact CD1-CG1 3.93Å |
| 231 | A | 94.7 | Very high | 94.6 | Very high | 9 Ų | 9 | 30 Ų | 30 | 7% | 0.074 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 152.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D233 G234 S236 | A231-D233 WeakPolarHBondContact CB-OD1 3.41Å; A231-D233 PolarHBondContact O-N 3.17Å; A231-D233 VanDerWaalsContact O-N 3.09Å; A231-G234 PolarHBondContact O-N 3.27Å; A231-S236 WeakPolarHBondContact CB-O 3.1Å; A231-S236 WeakPolarHBondContact CB-OG 3.29Å; A231-S236 PolarHBondContact N-O 3.49Å |
| 232 | P | 94.1 | Very high | 94.2 | Very high | 96 Ų | 96 | 29.4 Ų | 29.4 | 62% | 0.623 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -28.5 | -179.1 | -27.5 | 35.2 | 0 | 0 | 0 | 114.7 | G234 | P232-G234 PolarHBondContact O-N 3.11Š|
| 233 | D | 93.3 | Very high | 93.8 | Very high | 99 Ų | 99 | 29 Ų | 29 | 53% | 0.529 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -10.7 | 176.6 | 70 | 3.6 | 0 | 0 | 0 | 114 | A231 N235 | A231-D233 WeakPolarHBondContact CB-OD1 3.41Å; A231-D233 PolarHBondContact O-N 3.17Å; A231-D233 VanDerWaalsContact O-N 3.09Å; D233-N235 PolarHBondContact O-N 3.16Å; D233-N235 PolarHBondContact O-ND2 2.97Å; D233-N235 PolarHBondContact OD1-N 2.7Å |
| 234 | G | 93.6 | Very high | 93.6 | Very high | 14 Ų | 14 | 30.4 Ų | 30.4 | 14% | 0.144 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 68.2 | 11.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A231 P232 | A231-G234 PolarHBondContact O-N 3.27Å; P232-G234 PolarHBondContact O-N 3.11Å |
| 235 | N | 94.4 | Very high | 93.4 | Very high | 104 Ų | 104 | 29.1 Ų | 29.1 | 56% | 0.556 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -114.5 | -5.5 | -171.5 | -65.9 | -40.1 | 0 | 0 | 0 | 113.8 | L127 D233 | L127-N235 WeakPolarHBondContact CD2-O 3.39Å; D233-N235 PolarHBondContact O-N 3.16Å; D233-N235 PolarHBondContact O-ND2 2.97Å; D233-N235 PolarHBondContact OD1-N 2.7Å |
| 236 | S | 94 | Very high | 93.2 | Very high | 44 Ų | 44 | 29.8 Ų | 29.8 | 31% | 0.308 | 18% | 0.175 | S | C | . | . | trans | -143.1 | 156.6 | 176.1 | 63.4 | 0 | 0 | 0 | 0 | 112.1 | A231 | A231-S236 WeakPolarHBondContact CB-O 3.1Å; A231-S236 WeakPolarHBondContact CB-OG 3.29Å; A231-S236 PolarHBondContact N-O 3.49Å | ||
| 237 | V | 95.8 | Very high | 93.2 | Very high | 7 Ų | 7 | 28 Ų | 28 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 149.2 | 176.8 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | L127 I128 K131 I228 I229 L230 | L127-V237 HydrophobicContact CB-CG1 4.12Å; L127-V237 HydrophobicContact CB-CG2 4.16Å; L127-V237 HydrophobicContact CD1-CG1 4.4Å; I128-V237 HydrophobicContact CG1-CG1 4.45Å; I128-V237 HydrophobicContact CG1-CG2 4.21Å; K131-V237 HydrophobicContact CB-CG2 3.78Å; K131-V237 WeakPolarHBondContact CD-O 3.35Å; K131-V237 HydrophobicContact CG-CG2 4.18Å; I228-V237 HydrophobicContact CG2-CB 3.93Å; I228-V237 HydrophobicContact CG2-CG1 4.08Å; I229-V237 CarbonylContact O-C 3.6Å; I229-V237 VanDerWaalsContact O-CA 3.26Å; I229-V237 WeakPolarHBondContact O-CA 3.3Å; L230-V237 HydrophobicContact CD1-CG1 3.93Å |
| 238 | H | 94.3 | Very high | 93.2 | Very high | 37 Ų | 37 | 27.6 Ų | 27.6 | 17% | 0.171 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 134.9 | 176.1 | -60.9 | -89.1 | 0 | 0 | 0 | 109.6 | G92 I109 I229 | G92-H238 PolarHBondContact O-ND1 3.43Å; I109-H238 HydrophobicContact CD1-CB 3.77Å; I109-H238 HydrophobicContact CG2-CB 3.85Å; I229-H238 HydrophobicContact CB-CB 4.36Å; I229-H238 PolarHBondContact N-O 3.36Å; I229-H238 PolarHBondContact O-N 2.95Å |
| 239 | L | 94.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 136.1 | 174.9 | -38.9 | 179.3 | 0 | 0 | 0 | 107.8 | K131 L135 L223 N227 I228 | K131-L239 HydrophobicContact CB-CD2 4.32Å; K131-L239 HydrophobicContact CG-CD1 3.98Å; K131-L239 HydrophobicContact CG-CD2 3.76Å; K131-L239 HydrophobicContact CG-CG 3.62Å; L135-L239 HydrophobicContact CB-CD1 4.47Å; L135-L239 HydrophobicContact CD2-CD1 4.18Å; L223-L239 HydrophobicContact CD1-CB 4.14Å; L223-L239 HydrophobicContact CD1-CD1 4.27Å; L223-L239 HydrophobicContact CD1-CD2 3.71Å; L223-L239 HydrophobicContact CD1-CG 4.21Å; L223-L239 HydrophobicContact CD2-CD2 4.22Å; N227-L239 WeakPolarHBondContact O-CA 3.44Å; I228-L239 HydrophobicContact CG1-CD2 4.35Å |
| 240 | I | 92 | Very high | 93.4 | Very high | 32 Ų | 32 | 29.1 Ų | 29.1 | 16% | 0.164 | 16% | 0.163 | C | C | . | . | trans | -131.8 | 168.9 | -179.7 | 64 | 165.6 | 0 | 0 | 0 | 109.8 | I109 H220 N227 I229 | I109-I240 HydrophobicContact CD1-CG2 4.09Å; H220-I240 PolarHBondContact CE1-O 3.3Å; H220-I240 PolarHBondContact NE2-O 2.83Å; N227-I240 HydrophobicContact CB-CG1 4.48Å; N227-I240 PolarHBondContact O-N 2.93Å; I229-I240 HydrophobicContact CD1-CD1 3.83Å; I229-I240 HydrophobicContact CG1-CD1 3.87Å; I229-I240 HydrophobicContact CG1-CG1 4.24Å; I229-I240 HydrophobicContact CG1-CG2 3.99Å | ||
| 241 | D | 89.3 | Confident | 93.5 | Very high | 22 Ų | 22 | 28.5 Ų | 28.5 | 12% | 0.118 | 16% | 0.159 | C | C | . | . | trans | 64.8 | 62.2 | 178.4 | -146.7 | -8.3 | 0 | 0 | 0 | 114.5 | R65 H220 N227 E243 | R65-D241 IonicContact CZ-OD1 2.67Å; R65-D241 VanDerWaalsContact CZ-OD1 3.29Å; R65-D241 IonicContact CZ-OD2 2.84Å; R65-D241 IonicContact NH1-OD1 2.61Å; R65-D241 PolarHBondContact NH1-OD1 3.22Å; R65-D241 IonicContact NH2-OD1 3.08Å; R65-D241 PolarHBondContact NH2-OD1 3.04Å; R65-D241 IonicContact NH2-OD2 3.92Å; R65-D241 PolarHBondContact NH2-OD2 3.01Å; H220-D241 PolarHBondContact CE1-O 2.9Å; N227-D241 WeakPolarHBondContact OD1-CB 3.45Å; D241-E243 PolarHBondContact O-N 3.06Å; D241-E243 WeakPolarHBondContact OD1-CG 3.31Å | ||
| 242 | M | 88.4 | Confident | 93.7 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.02 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -77.3 | 27.5 | -179.3 | -52.1 | -62.2 | -57.9 | 0 | 0 | 113.2 | I84 V87 L135 H220 Y244 C245 | I84-M242 HydrophobicContact CG1-CB 4.18Å; I84-M242 HydrophobicContact CG1-CG 4.5Å; V87-M242 HydrophobicContact CG1-CE 4.28Å; V87-M242 HydrophobicContact CG2-CG 4.26Å; L135-M242 HydrophobicContact CD1-CE 3.75Å; L135-M242 HydrophobicContact CD2-CE 4.02Å; H220-M242 PolarHBondContact CD2-SD 3.3Å; M242-Y244 VanDerWaalsContact C-N 3.35Å; M242-Y244 PolarHBondContact O-N 2.77Å; M242-C245 HydrophobicContact CB-CB 3.92Å; M242-C245 HydrophobicContact CE-CB 3.86Å; M242-C245 WeakPolarHBondContact CE-SG 3.49Å; M242-C245 WeakPolarHBondContact O-CB 3.45Å; M242-C245 PolarHBondContact O-N 2.91Å |
| 243 | E | 87.8 | Confident | 93.9 | Very high | 12 Ų | 12 | 23.7 Ų | 23.7 | 6% | 0.056 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -72.3 | -26.8 | -171.5 | 71.9 | 178.6 | 178.7 | 0 | 0 | 114 | S48 N49 R65 I75 R77 E80 D241 | S48-E243 PolarHBondContact OG-OE1 3.01Å; S48-E243 PolarHBondContact OG-OE2 3.08Å; N49-E243 PolarHBondContact ND2-OE2 3.21Å; N49-E243 VanDerWaalsContact ND2-OE2 3.1Å; R65-E243 IonicContact NH1-OE2 2.6Å; R65-E243 PolarHBondContact NH1-OE2 3.4Å; I75-E243 HydrophobicContact CD1-CG 4.11Å; I75-E243 WeakPolarHBondContact CD1-OE2 3.22Å; I75-E243 HydrophobicContact CG2-CB 4.13Å; R77-E243 IonicContact CZ-OE2 2.83Å; R77-E243 VanDerWaalsContact CZ-OE2 3.29Å; R77-E243 IonicContact NH1-OE2 3.07Å; R77-E243 PolarHBondContact NH1-OE2 2.99Å; R77-E243 IonicContact NH2-OE2 2.91Å; R77-E243 PolarHBondContact NH2-OE2 3.3Å; E80-E243 HydrophobicContact CG-CB 4.16Å; D241-E243 PolarHBondContact O-N 3.06Å; D241-E243 WeakPolarHBondContact OD1-CG 3.31Å |
| 244 | Y | 91.7 | Very high | 94.1 | Very high | 29 Ų | 29 | 19 Ų | 19 | 11% | 0.114 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -98.7 | 3.5 | 172.1 | -60.8 | -76.8 | 0 | 0 | 0 | 113.4 | I75 W169 H220 N221 D222 M242 D246 W327 W330 | I75-Y244 HydrophobicContact CD1-CE1 4.14Å; I75-Y244 HydrophobicContact CD1-CE2 4.47Å; I75-Y244 HydrophobicContact CG1-CD1 4.43Å; I75-Y244 HydrophobicContact CG1-CE1 3.77Å; W169-Y244 HydrophobicContact CH2-CD1 4.2Å; W169-Y244 AromaticContact CH2-CE1 3.97Å; W169-Y244 HydrophobicContact CH2-CE1 3.97Å; W169-Y244 HydrophobicContact CZ2-CD1 4.44Å; W169-Y244 HydrophobicContact CZ2-CE1 4.25Å; H220-Y244 CarbonylContact O-C 3.55Å; N221-Y244 WeakPolarHBondContact CB-O 3.25Å; N221-Y244 PolarHBondContact ND2-O 3.22Å; D222-Y244 HydrophobicContact CB-CD2 3.63Å; D222-Y244 HydrophobicContact CB-CE2 4.41Å; D222-Y244 HydrophobicContact CB-CG 4.29Å; M242-Y244 VanDerWaalsContact C-N 3.35Å; M242-Y244 PolarHBondContact O-N 2.77Å; Y244-D246 PolarHBondContact O-N 3.47Å; Y244-W327 HydrophobicContact CD1-CH2 4.33Å; Y244-W327 AromaticContact CD2-CH2 3.95Å; Y244-W327 HydrophobicContact CD2-CH2 3.95Å; Y244-W327 HydrophobicContact CE1-CH2 4.27Å; Y244-W327 HydrophobicContact CE1-CZ3 4.41Å; Y244-W327 AromaticContact CE2-CH2 3.88Å; Y244-W327 HydrophobicContact CE2-CH2 3.88Å; Y244-W327 HydrophobicContact CE2-CZ3 4.29Å; Y244-W327 HydrophobicContact CG-CH2 4.17Å; Y244-W330 PolarHBondContact OH-NE1 2.93Å |
| 245 | C | 91.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.014 | 10% | 0.095 | C | C | . | . | trans | -54 | 135.1 | 179.6 | -175.6 | 0 | 0 | 0 | 0 | 110 | Y83 L218 C219 M242 | Y83-C245 HydrophobicContact CD1-CB 4.14Å; Y83-C245 HydrophobicContact CD2-CB 3.76Å; Y83-C245 WeakPolarHBondContact CD2-O 3.44Å; Y83-C245 HydrophobicContact CE2-CB 4.32Å; Y83-C245 WeakPolarHBondContact CE2-O 3.39Å; Y83-C245 HydrophobicContact CG-CB 3.75Å; Y83-C245 PolarHBondContact OH-O 2.97Å; L218-C245 VanDerWaalsContact CD1-SG 3.58Å; C219-C245 VanDerWaalsContact O-CA 3.29Å; C219-C245 WeakPolarHBondContact O-CA 3.23Å; C219-C245 PolarHBondContact O-SG 3.38Å; M242-C245 HydrophobicContact CB-CB 3.92Å; M242-C245 HydrophobicContact CE-CB 3.86Å; M242-C245 WeakPolarHBondContact CE-SG 3.49Å; M242-C245 WeakPolarHBondContact O-CB 3.45Å; M242-C245 PolarHBondContact O-N 2.91Å | ||
| 246 | D | 91.3 | Very high | 94.5 | Very high | 32 Ų | 32 | 13.3 Ų | 13.3 | 17% | 0.171 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.3 | 174.6 | 174.2 | -142.3 | -43.5 | 0 | 0 | 0 | 110.1 | Y83 Q161 C219 N221 Y244 N248 | Y83-D246 PolarHBondContact OH-OD1 3.21Å; Y83-D246 PolarHBondContact OH-OD2 2.67Å; Q161-D246 HydrophobicContact CB-CB 4.3Å; Q161-D246 HydrophobicContact CG-CB 4.41Å; Q161-D246 VanDerWaalsContact CG-OD1 3.27Å; Q161-D246 WeakPolarHBondContact CG-OD1 3.47Å; C219-D246 PolarHBondContact N-O 2.79Å; C219-D246 PolarHBondContact O-N 2.78Å; N221-D246 PolarHBondContact ND2-N 3.01Å; Y244-D246 PolarHBondContact O-N 3.47Å; D246-N248 PolarHBondContact O-N 3.43Å |
| 247 | L | 92.2 | Very high | 94.8 | Very high | 8 Ų | 8 | 11.2 Ų | 11.2 | 4% | 0.042 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 123.1 | 168.3 | -62.6 | -178 | 0 | 0 | 0 | 110.4 | I140 F143 I144 P158 S160 Q161 V216 V217 L218 | I140-L247 HydrophobicContact CB-CD2 4.39Å; I140-L247 HydrophobicContact CD1-CD2 4.06Å; I140-L247 HydrophobicContact CG1-CD2 3.96Å; I140-L247 HydrophobicContact CG2-CD1 3.96Å; I140-L247 HydrophobicContact CG2-CD2 3.54Å; I140-L247 HydrophobicContact CG2-CG 4.39Å; F143-L247 HydrophobicContact CD1-CD1 3.84Å; F143-L247 HydrophobicContact CD1-CD2 3.96Å; F143-L247 HydrophobicContact CD1-CG 3.79Å; F143-L247 HydrophobicContact CE1-CD1 3.7Å; F143-L247 HydrophobicContact CE1-CD2 4.16Å; F143-L247 HydrophobicContact CE1-CG 3.52Å; I144-L247 HydrophobicContact CG1-CD1 4.24Å; P158-L247 HydrophobicContact CB-CD1 4.13Å; S160-L247 WeakPolarHBondContact CA-O 3.48Å; Q161-L247 PolarHBondContact N-O 3.3Å; V216-L247 HydrophobicContact CG1-CB 4Å; V217-L247 CarbonylContact O-C 3.57Å; V217-L247 WeakPolarHBondContact O-CA 3.39Å; L218-L247 HydrophobicContact CB-CD2 4.5Å; L218-L247 HydrophobicContact CD1-CD2 4.42Å |
| 248 | N | 96.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 10.9 Ų | 10.9 | 1% | 0.011 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 171.2 | 179.2 | -157.9 | -6.6 | 0 | 0 | 0 | 111.4 | S160 L162 V216 V217 C219 N221 D246 A250 Y252 | S160-N248 PolarHBondContact OG-OD1 2.97Å; L162-N248 VanDerWaalsContact CB-OD1 3.22Å; L162-N248 WeakPolarHBondContact CB-OD1 3.37Å; V216-N248 CarbonylContact C-O 3.04Å; V216-N248 VanDerWaalsContact CA-O 3.28Å; V216-N248 WeakPolarHBondContact CA-O 3.35Å; V217-N248 PolarHBondContact N-O 2.81Å; V217-N248 PolarHBondContact O-N 3.42Å; V217-N248 VanDerWaalsContact O-O 3.07Å; C219-N248 HydrophobicContact CB-CB 3.85Å; N221-N248 WeakPolarHBondContact OD1-CB 3.42Å; N221-N248 PolarHBondContact OD1-ND2 2.69Å; D246-N248 PolarHBondContact O-N 3.43Å; N248-A250 PolarHBondContact O-N 2.92Å; N248-Y252 WeakPolarHBondContact ND2-CD1 3.44Å; N248-Y252 WeakPolarHBondContact ND2-CE1 3.22Å |
| 249 | Y | 97.4 | Very high | 95 | Very high | 43 Ų | 43 | 9.1 Ų | 9.1 | 17% | 0.169 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 129.1 | 173.2 | -57.9 | -77.8 | 0 | 0 | 0 | 110 | S160 L162 F163 P212 V216 A251 Y252 F319 | S160-Y249 WeakPolarHBondContact OG-CD2 3.42Å; S160-Y249 WeakPolarHBondContact OG-CE2 3.47Å; L162-Y249 HydrophobicContact CD2-CD2 4.32Å; F163-Y249 HydrophobicContact CD2-CE2 4.26Å; F163-Y249 AromaticContact CE2-CE2 3.96Å; F163-Y249 HydrophobicContact CE2-CE2 3.96Å; P212-Y249 HydrophobicContact CB-CD1 3.86Å; P212-Y249 HydrophobicContact CB-CE1 3.96Å; P212-Y249 HydrophobicContact CG-CD1 4Å; P212-Y249 HydrophobicContact CG-CE1 3.65Å; V216-Y249 HydrophobicContact CG2-CD1 4.07Å; V216-Y249 HydrophobicContact CG2-CE1 3.97Å; Y249-A251 PolarHBondContact O-N 3.05Å; Y249-A251 VanDerWaalsContact O-N 3.14Å; Y249-Y252 WeakPolarHBondContact O-CB 3.29Å; Y249-Y252 PolarHBondContact O-N 2.8Å; Y249-F319 HydrophobicContact CD1-CZ 4.16Å; Y249-F319 AromaticContact CD2-CE1 3.59Å; Y249-F319 HydrophobicContact CD2-CE1 3.59Å; Y249-F319 AromaticContact CD2-CZ 3.44Å; Y249-F319 HydrophobicContact CD2-CZ 3.44Å; Y249-F319 VanDerWaalsContact CD2-CZ 3.44Å; Y249-F319 HydrophobicContact CE2-CE1 4.23Å; Y249-F319 HydrophobicContact CE2-CZ 4.15Å; Y249-F319 HydrophobicContact CG-CE1 4.07Å; Y249-F319 HydrophobicContact CG-CE2 4.17Å; Y249-F319 AromaticContact CG-CZ 3.45Å; Y249-F319 HydrophobicContact CG-CZ 3.45Å; Y249-F319 VanDerWaalsContact CG-CZ 3.45Å |
| 250 | A | 97.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 9.7 Ų | 9.7 | 1% | 0.008 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -55.9 | -34.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K215 V217 N248 Y252 D253 I254 Y285 W312 | K215-A250 PolarHBondContact O-N 2.92Å; V217-A250 HydrophobicContact CG2-CB 3.73Å; N248-A250 PolarHBondContact O-N 2.92Å; A250-Y252 VanDerWaalsContact C-N 3.29Å; A250-Y252 PolarHBondContact O-N 3.1Å; A250-D253 PolarHBondContact O-N 3.14Å; A250-I254 WeakPolarHBondContact O-CG1 3.45Å; A250-I254 PolarHBondContact O-N 3.26Å; A250-Y285 WeakPolarHBondContact CB-OH 3.3Å; A250-W312 HydrophobicContact CB-CH2 4.05Å; A250-W312 HydrophobicContact CB-CZ3 4.45Å |
| 251 | A | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -69 | -24.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S214 Y249 G255 W312 E315 V316 F319 | S214-A251 VanDerWaalsContact OG-CB 3.27Å; S214-A251 WeakPolarHBondContact OG-CB 3.4Å; S214-A251 PolarHBondContact OG-N 2.76Å; Y249-A251 PolarHBondContact O-N 3.05Å; Y249-A251 VanDerWaalsContact O-N 3.14Å; A251-G255 PolarHBondContact O-N 2.97Å; A251-W312 HydrophobicContact CB-CE3 4.34Å; A251-W312 HydrophobicContact CB-CZ3 4.15Å; A251-E315 HydrophobicContact CB-CB 4.48Å; A251-E315 HydrophobicContact CB-CG 3.8Å; A251-E315 WeakPolarHBondContact CB-OE1 3.23Å; A251-V316 HydrophobicContact CB-CG2 3.87Å; A251-F319 HydrophobicContact CB-CD2 3.66Å; A251-F319 HydrophobicContact CB-CE2 3.9Å |
| 252 | Y | 98.7 | Very high | 95.6 | Very high | 3 Ų | 3 | 7.3 Ų | 7.3 | 1% | 0.012 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -66.5 | -46.3 | 172.9 | 173 | -89.1 | 0 | 0 | 0 | 111.7 | L162 N221 N248 Y249 A250 I254 G255 N256 F319 V322 | L162-Y252 HydrophobicContact CD1-CD2 3.77Å; L162-Y252 HydrophobicContact CD1-CE1 4.25Å; L162-Y252 HydrophobicContact CD1-CE2 3.42Å; L162-Y252 VanDerWaalsContact CD1-CE2 3.42Å; L162-Y252 HydrophobicContact CD1-CG 4.31Å; L162-Y252 HydrophobicContact CD2-CD2 3.46Å; L162-Y252 VanDerWaalsContact CD2-CD2 3.46Å; L162-Y252 HydrophobicContact CD2-CE2 4.01Å; L162-Y252 HydrophobicContact CD2-CG 3.89Å; L162-Y252 HydrophobicContact CG-CD2 4.27Å; L162-Y252 HydrophobicContact CG-CE2 4.37Å; N221-Y252 HydrophobicContact CB-CE1 4.3Å; N248-Y252 WeakPolarHBondContact ND2-CD1 3.44Å; N248-Y252 WeakPolarHBondContact ND2-CE1 3.22Å; Y249-Y252 WeakPolarHBondContact O-CB 3.29Å; Y249-Y252 PolarHBondContact O-N 2.8Å; A250-Y252 VanDerWaalsContact C-N 3.29Å; A250-Y252 PolarHBondContact O-N 3.1Å; Y252-I254 PolarHBondContact O-N 3.34Å; Y252-G255 PolarHBondContact O-N 3.44Å; Y252-G255 VanDerWaalsContact O-N 3.14Å; Y252-N256 HydrophobicContact CE1-CB 4.21Å; Y252-N256 VanDerWaalsContact O-CB 3.28Å; Y252-N256 WeakPolarHBondContact O-CB 3.45Å; Y252-N256 PolarHBondContact O-N 2.7Å; Y252-F319 HydrophobicContact CD2-CB 4.16Å; Y252-F319 HydrophobicContact CD2-CD1 4.04Å; Y252-F319 HydrophobicContact CD2-CG 4.43Å; Y252-F319 HydrophobicContact CG-CD1 4.46Å; Y252-V322 HydrophobicContact CE2-CG1 4.42Å |
| 253 | D | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -61.9 | -35.9 | -178.7 | -150.8 | 19.3 | 0 | 0 | 0 | 111.2 | M132 H136 C219 H220 N221 A250 H257 | M132-D253 HydrophobicContact CE-CB 4.29Å; M132-D253 HydrophobicContact SD-CB 4.18Å; H136-D253 IonicContact CE1-OD2 2.7Å; H136-D253 IonicContact NE2-OD2 2.74Å; H136-D253 PolarHBondContact NE2-OD2 3.46Å; H136-D253 VanDerWaalsContact NE2-OD2 3.08Å; C219-D253 HydrophobicContact CB-CB 3.94Å; H220-D253 WeakPolarHBondContact CB-OD2 3.42Å; H220-D253 PolarHBondContact N-OD2 3.28Å; N221-D253 WeakPolarHBondContact CA-OD1 3.25Å; N221-D253 PolarHBondContact N-OD1 3.08Å; A250-D253 PolarHBondContact O-N 3.14Å; D253-H257 VanDerWaalsContact O-CB 3.28Å; D253-H257 WeakPolarHBondContact O-CB 3.35Å; D253-H257 PolarHBondContact O-N 2.8Å |
| 254 | I | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -68.2 | -48.8 | 173.4 | -56.7 | 170.8 | 0 | 0 | 0 | 111.2 | M132 A250 Y252 N256 H257 F258 W281 Y285 W312 V316 | M132-I254 HydrophobicContact SD-CG1 3.67Å; A250-I254 WeakPolarHBondContact O-CG1 3.45Å; A250-I254 PolarHBondContact O-N 3.26Å; Y252-I254 PolarHBondContact O-N 3.34Å; I254-N256 VanDerWaalsContact C-N 3.3Å; I254-N256 PolarHBondContact O-N 3.35Å; I254-H257 WeakPolarHBondContact O-CB 3.44Å; I254-H257 PolarHBondContact O-N 3.28Å; I254-F258 HydrophobicContact CG2-CD2 4.17Å; I254-F258 HydrophobicContact CG2-CE1 4.08Å; I254-F258 HydrophobicContact CG2-CE2 3.63Å; I254-F258 HydrophobicContact CG2-CZ 3.58Å; I254-F258 WeakPolarHBondContact O-CG 3.48Å; I254-F258 PolarHBondContact O-N 2.8Å; I254-W281 HydrophobicContact CB-CZ3 4.18Å; I254-W281 HydrophobicContact CD1-CZ3 3.8Å; I254-W281 HydrophobicContact CG1-CH2 3.92Å; I254-W281 HydrophobicContact CG1-CZ3 3.61Å; I254-W281 HydrophobicContact CG2-CE3 3.92Å; I254-W281 HydrophobicContact CG2-CH2 4.17Å; I254-W281 HydrophobicContact CG2-CZ3 3.57Å; I254-Y285 HydrophobicContact CD1-CD1 3.84Å; I254-Y285 HydrophobicContact CD1-CD2 4.42Å; I254-Y285 HydrophobicContact CD1-CE1 3.98Å; I254-Y285 HydrophobicContact CD1-CG 4.1Å; I254-W312 HydrophobicContact CD1-CE3 4.07Å; I254-W312 HydrophobicContact CD1-CZ3 3.63Å; I254-V316 HydrophobicContact CB-CG1 4.3Å; I254-V316 HydrophobicContact CB-CG2 4.08Å; I254-V316 HydrophobicContact CD1-CG2 4.4Å; I254-V316 HydrophobicContact CG2-CG1 3.78Å; I254-V316 HydrophobicContact CG2-CG2 3.96Å |
| 255 | G | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62 | -40.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A251 Y252 F258 C259 | A251-G255 PolarHBondContact O-N 2.97Å; Y252-G255 PolarHBondContact O-N 3.44Å; Y252-G255 VanDerWaalsContact O-N 3.14Å; G255-F258 PolarHBondContact O-N 3.27Å; G255-C259 PolarHBondContact O-N 3.28Å; G255-C259 VanDerWaalsContact O-N 3.12Å; G255-C259 PolarHBondContact O-SG 3.39Å |
| 256 | N | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.1 | -50.2 | 172.1 | -172.3 | 74.7 | 0 | 0 | 0 | 111.3 | N221 Y252 I254 F258 C259 E260 S323 W327 | N221-N256 PolarHBondContact O-ND2 3.24Å; Y252-N256 HydrophobicContact CE1-CB 4.21Å; Y252-N256 VanDerWaalsContact O-CB 3.28Å; Y252-N256 WeakPolarHBondContact O-CB 3.45Å; Y252-N256 PolarHBondContact O-N 2.7Å; I254-N256 VanDerWaalsContact C-N 3.3Å; I254-N256 PolarHBondContact O-N 3.35Å; N256-F258 VanDerWaalsContact C-N 3.27Å; N256-F258 PolarHBondContact O-N 3.03Å; N256-C259 VanDerWaalsContact O-CB 3.3Å; N256-C259 WeakPolarHBondContact O-CB 3.5Å; N256-C259 PolarHBondContact O-N 3.3Å; N256-E260 PolarHBondContact O-N 3.22Å; N256-S323 PolarHBondContact OD1-OG 2.86Å; N256-W327 PolarHBondContact OD1-NE1 3.2Å |
| 257 | H | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55.5 | -41.1 | 177.2 | 177.8 | 56.9 | 0 | 0 | 0 | 112.4 | M132 L223 D253 I254 E260 F261 W281 | M132-H257 HydrophobicContact CE-CB 4.12Å; L223-H257 PolarHBondContact O-ND1 2.61Å; D253-H257 VanDerWaalsContact O-CB 3.28Å; D253-H257 WeakPolarHBondContact O-CB 3.35Å; D253-H257 PolarHBondContact O-N 2.8Å; I254-H257 WeakPolarHBondContact O-CB 3.44Å; I254-H257 PolarHBondContact O-N 3.28Å; H257-E260 PolarHBondContact O-N 3.44Å; H257-F261 AromaticContact CD2-CE2 3.96Å; H257-F261 AromaticContact CE1-CE2 3.96Å; H257-F261 AromaticContact NE2-CE2 3.63Å; H257-F261 VanDerWaalsContact O-CD2 3.29Å; H257-F261 WeakPolarHBondContact O-CD2 3.42Å; H257-W281 AromaticContact CD2-CZ2 3.78Å; H257-W281 AromaticContact NE2-NE1 3.99Å |
| 258 | F | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.7 | -33.7 | 176.3 | -67.7 | -13.5 | 0 | 0 | 0 | 113.4 | I254 G255 N256 E260 F261 Y272 P273 Q278 W281 V316 | I254-F258 HydrophobicContact CG2-CD2 4.17Å; I254-F258 HydrophobicContact CG2-CE1 4.08Å; I254-F258 HydrophobicContact CG2-CE2 3.63Å; I254-F258 HydrophobicContact CG2-CZ 3.58Å; I254-F258 WeakPolarHBondContact O-CG 3.48Å; I254-F258 PolarHBondContact O-N 2.8Å; G255-F258 PolarHBondContact O-N 3.27Å; N256-F258 VanDerWaalsContact C-N 3.27Å; N256-F258 PolarHBondContact O-N 3.03Å; F258-E260 PolarHBondContact O-N 2.74Å; F258-F261 HydrophobicContact CD1-CE2 4.08Å; F258-F261 WeakPolarHBondContact O-CB 3.39Å; F258-F261 PolarHBondContact O-N 3.47Å; F258-Y272 HydrophobicContact CB-CE2 3.87Å; F258-Y272 WeakPolarHBondContact O-CD2 3.48Å; F258-P273 HydrophobicContact CB-CG 4.1Å; F258-P273 HydrophobicContact CD1-CG 4.04Å; F258-P273 HydrophobicContact CG-CG 4.09Å; F258-Q278 HydrophobicContact CD2-CG 3.84Å; F258-Q278 HydrophobicContact CE2-CB 3.82Å; F258-Q278 HydrophobicContact CE2-CG 3.55Å; F258-Q278 HydrophobicContact CZ-CB 4.27Å; F258-Q278 HydrophobicContact CZ-CG 4.18Å; F258-W281 HydrophobicContact CE1-CB 4.34Å; F258-W281 AromaticContact CE1-CD2 3.78Å; F258-W281 HydrophobicContact CE1-CD2 3.78Å; F258-W281 HydrophobicContact CE1-CE3 4.16Å; F258-W281 AromaticContact CE1-CG 3.85Å; F258-W281 HydrophobicContact CE1-CG 3.85Å; F258-W281 HydrophobicContact CZ-CB 4.08Å; F258-W281 AromaticContact CZ-CD2 3.88Å; F258-W281 HydrophobicContact CZ-CD2 3.88Å; F258-W281 AromaticContact CZ-CE3 3.9Å; F258-W281 HydrophobicContact CZ-CE3 3.9Å; F258-W281 AromaticContact CZ-CG 3.97Å; F258-W281 HydrophobicContact CZ-CG 3.97Å; F258-V316 HydrophobicContact CD2-CG1 3.65Å; F258-V316 HydrophobicContact CE2-CG1 3.71Å |
| 259 | C | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.2 | -34.9 | 173.4 | -64.2 | 0 | 0 | 0 | 0 | 111.7 | G255 N256 F261 T262 | G255-C259 PolarHBondContact O-N 3.28Å; G255-C259 VanDerWaalsContact O-N 3.12Å; G255-C259 PolarHBondContact O-SG 3.39Å; N256-C259 VanDerWaalsContact O-CB 3.3Å; N256-C259 WeakPolarHBondContact O-CB 3.5Å; N256-C259 PolarHBondContact O-N 3.3Å; C259-F261 PolarHBondContact O-N 2.76Å; C259-T262 WeakPolarHBondContact O-CB 3.29Å; C259-T262 PolarHBondContact O-N 2.98Å; C259-T262 PolarHBondContact O-OG1 3.33Å |
| 260 | E | 96.8 | Very high | 94.6 | Very high | 13 Ų | 13 | 28.2 Ų | 28.2 | 6% | 0.061 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -73.5 | -8.6 | -176 | -60.3 | -57.5 | 131.9 | 0 | 0 | 114 | N224 N256 H257 F258 T262 G263 R351 | N224-E260 HydrophobicContact CB-CB 4.02Å; N224-E260 HydrophobicContact CB-CG 3.7Å; N224-E260 WeakPolarHBondContact CB-OE2 3.04Å; N256-E260 PolarHBondContact O-N 3.22Å; H257-E260 PolarHBondContact O-N 3.44Å; F258-E260 PolarHBondContact O-N 2.74Å; E260-T262 PolarHBondContact O-N 3.43Å; E260-G263 PolarHBondContact O-N 3.2Å; E260-R351 IonicContact OE1-CZ 2.6Å; E260-R351 IonicContact OE1-NH1 2.79Å; E260-R351 PolarHBondContact OE1-NH1 3.01Å |
| 261 | F | 96.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -66.4 | -20.2 | 171 | -76.5 | -122.7 | 0 | 0 | 0 | 111.9 | L119 H257 F258 C259 G263 H271 P273 Y277 | L119-F261 HydrophobicContact CB-CD1 4.35Å; L119-F261 HydrophobicContact CB-CE1 4.05Å; L119-F261 HydrophobicContact CB-CZ 4.14Å; L119-F261 VanDerWaalsContact O-CE1 3.25Å; L119-F261 WeakPolarHBondContact O-CE1 3.4Å; H257-F261 AromaticContact CD2-CE2 3.96Å; H257-F261 AromaticContact CE1-CE2 3.96Å; H257-F261 AromaticContact NE2-CE2 3.63Å; H257-F261 VanDerWaalsContact O-CD2 3.29Å; H257-F261 WeakPolarHBondContact O-CD2 3.42Å; F258-F261 HydrophobicContact CD1-CE2 4.08Å; F258-F261 WeakPolarHBondContact O-CB 3.39Å; F258-F261 PolarHBondContact O-N 3.47Å; C259-F261 PolarHBondContact O-N 2.76Å; F261-G263 PolarHBondContact O-N 3.23Å; F261-H271 WeakPolarHBondContact CB-O 3.39Å; F261-H271 VanDerWaalsContact O-CB 3.32Å; F261-H271 WeakPolarHBondContact O-CB 3.47Å; F261-P273 HydrophobicContact CB-CG 4.23Å; F261-P273 HydrophobicContact CD1-CG 3.6Å; F261-P273 HydrophobicContact CD2-CG 3.96Å; F261-P273 HydrophobicContact CE1-CG 3.81Å; F261-P273 HydrophobicContact CE2-CG 4.19Å; F261-P273 HydrophobicContact CG-CG 3.67Å; F261-P273 HydrophobicContact CZ-CG 4.12Å; F261-Y277 HydrophobicContact CE1-CE1 4.01Å; F261-Y277 AromaticContact CE1-CZ 3.96Å; F261-Y277 AromaticContact CZ-CE1 3.98Å; F261-Y277 HydrophobicContact CZ-CE1 3.98Å |
| 262 | T | 93.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -78.4 | 6.2 | 177.4 | 67.6 | 0 | 0 | 0 | 0 | 113.6 | C259 E260 A266 T267 E268 Y272 | C259-T262 WeakPolarHBondContact O-CB 3.29Å; C259-T262 PolarHBondContact O-N 2.98Å; C259-T262 PolarHBondContact O-OG1 3.33Å; E260-T262 PolarHBondContact O-N 3.43Å; T262-A266 CarbonylContact O-C 3.58Å; T262-A266 VanDerWaalsContact OG1-CA 3.31Å; T262-A266 WeakPolarHBondContact OG1-CA 3.46Å; T262-T267 PolarHBondContact O-N 3.45Å; T262-E268 WeakPolarHBondContact CA-O 3.39Å; T262-E268 WeakPolarHBondContact CB-O 3.32Å; T262-E268 WeakPolarHBondContact CG2-O 3.1Å; T262-E268 PolarHBondContact O-N 2.9Å; T262-E268 VanDerWaalsContact O-N 3.15Å; T262-Y272 HydrophobicContact CG2-CD2 4.45Å |
| 263 | G | 92.2 | Very high | 94.2 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | trans | 88.6 | 170.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E260 F261 Y265 A266 | E260-G263 PolarHBondContact O-N 3.2Å; F261-G263 PolarHBondContact O-N 3.23Å; G263-Y265 PolarHBondContact O-N 2.84Å; G263-A266 PolarHBondContact O-N 3.34Å | ||
| 264 | P | 88.7 | Confident | 94.1 | Very high | 80 Ų | 80 | 36.3 Ų | 36.3 | 52% | 0.519 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -14.4 | -173.2 | 26.3 | -35.9 | 0 | 0 | 0 | 114.4 | Y347 | P264-Y347 VanDerWaalsContact O-CE2 3.3Å; P264-Y347 WeakPolarHBondContact O-CE2 3.29Å |
| 265 | Y | 90.2 | Very high | 93.9 | Very high | 124 Ų | 124 | 38.5 Ų | 38.5 | 49% | 0.486 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 4.6 | 175.7 | -56.6 | -69.5 | 0 | 0 | 0 | 113.5 | G263 T267 M342 S350 | G263-Y265 PolarHBondContact O-N 2.84Å; Y265-T267 PolarHBondContact O-N 3.02Å; Y265-T267 VanDerWaalsContact O-N 3.13Å; Y265-M342 HydrophobicContact CD1-CE 3.96Å; Y265-M342 HydrophobicContact CE1-CE 4.07Å; Y265-S350 VanDerWaalsContact O-CB 3.27Å; Y265-S350 WeakPolarHBondContact O-CB 3.42Å; Y265-S350 PolarHBondContact O-OG 3.48Å |
| 266 | A | 89.7 | Confident | 93.8 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 55.8 | 20.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | T262 G263 Y347 S350 R351 Q354 | T262-A266 CarbonylContact O-C 3.58Å; T262-A266 VanDerWaalsContact OG1-CA 3.31Å; T262-A266 WeakPolarHBondContact OG1-CA 3.46Å; G263-A266 PolarHBondContact O-N 3.34Å; A266-Y347 HydrophobicContact CB-CE2 4.44Å; A266-S350 PolarHBondContact O-OG 2.93Å; A266-R351 VanDerWaalsContact CB-CD 3.42Å; A266-R351 HydrophobicContact CB-CG 4.38Å; A266-Q354 PolarHBondContact O-NE2 2.85Å |
| 267 | T | 88.4 | Confident | 93.8 | Very high | 95 Ų | 95 | 46.4 Ų | 46.4 | 58% | 0.583 | 23% | 0.233 | S | C | * | . | trans | -84.2 | -18.8 | -172.1 | 49.2 | 0 | 0 | 0 | 0 | 114 | T262 Y265 F269 S350 | T262-T267 PolarHBondContact O-N 3.45Å; Y265-T267 PolarHBondContact O-N 3.02Å; Y265-T267 VanDerWaalsContact O-N 3.13Å; T267-F269 PolarHBondContact O-N 3.19Å; T267-S350 PolarHBondContact N-OG 3.33Å | ||
| 268 | E | 88.3 | Confident | 93.7 | Very high | 71 Ų | 71 | 46.4 Ų | 46.4 | 33% | 0.332 | 23% | 0.233 | S | C | . | . | trans | -100.7 | 66.3 | -170.4 | -60.6 | -179.4 | 169.7 | 0 | 0 | 111.5 | T262 Q270 H271 | T262-E268 WeakPolarHBondContact CA-O 3.39Å; T262-E268 WeakPolarHBondContact CB-O 3.32Å; T262-E268 WeakPolarHBondContact CG2-O 3.1Å; T262-E268 PolarHBondContact O-N 2.9Å; T262-E268 VanDerWaalsContact O-N 3.15Å; E268-Q270 VanDerWaalsContact C-OE1 3.27Å; E268-Q270 PolarHBondContact O-N 2.91Å; E268-Q270 VanDerWaalsContact O-N 3.1Å; E268-H271 WeakPolarHBondContact O-CB 3.5Å; E268-H271 PolarHBondContact O-N 3.08Å; E268-H271 IonicContact OE2-CE1 3.27Å; E268-H271 PolarHBondContact OE2-CE1 2.88Å; E268-H271 IonicContact OE2-ND1 2.95Å; E268-H271 PolarHBondContact OE2-ND1 3.34Å | ||
| 269 | F | 87.5 | Confident | 93.6 | Very high | 60 Ų | 60 | 49.2 Ų | 49.2 | 26% | 0.263 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -55 | -33.1 | -176.1 | -168 | -122.8 | 0 | 0 | 0 | 113.7 | T267 H271 Y272 Q354 N357 M358 | T267-F269 PolarHBondContact O-N 3.19Å; F269-H271 PolarHBondContact O-N 2.94Å; F269-Y272 HydrophobicContact CE2-CG 4.42Å; F269-Y272 VanDerWaalsContact O-CB 3.25Å; F269-Y272 WeakPolarHBondContact O-CB 3.49Å; F269-Y272 PolarHBondContact O-N 3.43Å; F269-Q354 VanDerWaalsContact CA-NE2 3.26Å; F269-Q354 HydrophobicContact CD2-CG 4.41Å; F269-N357 HydrophobicContact CE1-CB 4.26Å; F269-N357 HydrophobicContact CZ-CB 4.29Å; F269-M358 HydrophobicContact CE2-CG 3.73Å; F269-M358 HydrophobicContact CE2-SD 4.34Å; F269-M358 HydrophobicContact CZ-CG 3.83Å |
| 270 | Q | 90.7 | Very high | 93.6 | Very high | 136 Ų | 136 | 52.7 Ų | 52.7 | 64% | 0.636 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -60.4 | -15.9 | 178.9 | 70.4 | -79.5 | 3 | 0 | 0 | 113.6 | E268 | E268-Q270 VanDerWaalsContact C-OE1 3.27Å; E268-Q270 PolarHBondContact O-N 2.91Å; E268-Q270 VanDerWaalsContact O-N 3.1Å |
| 271 | H | 93.8 | Very high | 93.6 | Very high | 80 Ų | 80 | 52 Ų | 52 | 37% | 0.37 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -91.5 | -5.1 | 175.3 | -62.2 | 162.6 | 0 | 0 | 0 | 113.4 | F261 E268 F269 | F261-H271 WeakPolarHBondContact CB-O 3.39Å; F261-H271 VanDerWaalsContact O-CB 3.32Å; F261-H271 WeakPolarHBondContact O-CB 3.47Å; E268-H271 WeakPolarHBondContact O-CB 3.5Å; E268-H271 PolarHBondContact O-N 3.08Å; E268-H271 IonicContact OE2-CE1 3.27Å; E268-H271 PolarHBondContact OE2-CE1 2.88Å; E268-H271 IonicContact OE2-ND1 2.95Å; E268-H271 PolarHBondContact OE2-ND1 3.34Å; F269-H271 PolarHBondContact O-N 2.94Å |
| 272 | Y | 95.8 | Very high | 93.6 | Very high | 23 Ų | 23 | 51.9 Ų | 51.9 | 9% | 0.09 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -56.2 | 132 | 171.4 | -170.7 | -99.4 | 0 | 0 | 0 | 109.6 | F258 T262 F269 S274 Q278 N317 A320 M358 W361 | F258-Y272 HydrophobicContact CB-CE2 3.87Å; F258-Y272 WeakPolarHBondContact O-CD2 3.48Å; T262-Y272 HydrophobicContact CG2-CD2 4.45Å; F269-Y272 HydrophobicContact CE2-CG 4.42Å; F269-Y272 VanDerWaalsContact O-CB 3.25Å; F269-Y272 WeakPolarHBondContact O-CB 3.49Å; F269-Y272 PolarHBondContact O-N 3.43Å; Y272-S274 PolarHBondContact O-N 3.2Å; Y272-Q278 VanDerWaalsContact CE1-NE2 3.34Å; Y272-N317 WeakPolarHBondContact CE1-OD1 3.27Å; Y272-N317 PolarHBondContact OH-OD1 3.23Å; Y272-A320 WeakPolarHBondContact OH-CB 3.43Å; Y272-M358 HydrophobicContact CE1-CE 4.05Å; Y272-M358 HydrophobicContact CE2-CE 4.21Å; Y272-M358 HydrophobicContact CE2-SD 4.39Å; Y272-M358 WeakPolarHBondContact OH-CE 3.4Å; Y272-W361 HydrophobicContact CE1-CH2 4.48Å; Y272-W361 HydrophobicContact CE1-CZ3 4.43Å |
| 273 | P | 96.7 | Very high | 93.7 | Very high | 10 Ų | 10 | 53.9 Ų | 53.9 | 7% | 0.065 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 138.8 | -167.9 | -24.9 | 34 | 0 | 0 | 0 | 113 | F258 F261 Y277 Q278 | F258-P273 HydrophobicContact CB-CG 4.1Å; F258-P273 HydrophobicContact CD1-CG 4.04Å; F258-P273 HydrophobicContact CG-CG 4.09Å; F261-P273 HydrophobicContact CB-CG 4.23Å; F261-P273 HydrophobicContact CD1-CG 3.6Å; F261-P273 HydrophobicContact CD2-CG 3.96Å; F261-P273 HydrophobicContact CE1-CG 3.81Å; F261-P273 HydrophobicContact CE2-CG 4.19Å; F261-P273 HydrophobicContact CG-CG 3.67Å; F261-P273 HydrophobicContact CZ-CG 4.12Å; P273-Y277 HydrophobicContact CB-CD1 3.65Å; P273-Y277 HydrophobicContact CB-CE1 4.33Å; P273-Y277 HydrophobicContact CB-CG 4.21Å; P273-Y277 HydrophobicContact CG-CD1 4.37Å; P273-Q278 HydrophobicContact CB-CG 3.85Å; P273-Q278 PolarHBondContact O-NE2 2.72Å |
| 274 | S | 96.1 | Very high | 93.8 | Very high | 61 Ų | 61 | 54.6 Ų | 54.6 | 43% | 0.427 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 157.8 | 174.6 | 88.3 | 0 | 0 | 0 | 0 | 111.3 | Y272 E276 Y277 Q278 | Y272-S274 PolarHBondContact O-N 3.2Å; S274-E276 VanDerWaalsContact CB-OE2 3.25Å; S274-E276 WeakPolarHBondContact CB-OE2 3.46Å; S274-E276 PolarHBondContact O-N 3.43Å; S274-E276 PolarHBondContact OG-N 3.47Å; S274-E276 PolarHBondContact OG-OE2 2.96Å; S274-Y277 PolarHBondContact O-N 3.49Å; S274-Y277 VanDerWaalsContact O-N 3.08Å; S274-Y277 PolarHBondContact OG-N 2.84Å; S274-Q278 VanDerWaalsContact O-CG 3.31Å; S274-Q278 WeakPolarHBondContact O-CG 3.23Å; S274-Q278 PolarHBondContact O-N 3.33Å |
| 275 | I | 95.8 | Very high | 94.2 | Very high | 47 Ų | 47 | 50.8 Ų | 50.8 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57 | -35.9 | 178.7 | -64.5 | -57 | 0 | 0 | 0 | 111.5 | Q278 K279 L313 W361 T365 F366 | I275-Q278 PolarHBondContact O-N 2.88Å; I275-K279 VanDerWaalsContact O-CB 3.22Å; I275-K279 WeakPolarHBondContact O-CB 3.32Å; I275-K279 PolarHBondContact O-N 2.99Å; I275-L313 HydrophobicContact CG2-CD1 4.21Å; I275-W361 HydrophobicContact CD1-CH2 3.83Å; I275-W361 HydrophobicContact CD1-CZ2 3.8Å; I275-W361 HydrophobicContact CG1-CZ2 4.28Å; I275-T365 HydrophobicContact CD1-CG2 4.45Å; I275-F366 HydrophobicContact CD1-CE1 4.36Å; I275-F366 HydrophobicContact CD1-CE2 4.4Å; I275-F366 HydrophobicContact CD1-CZ 3.61Å |
| 276 | E | 95.9 | Very high | 94.4 | Very high | 137 Ų | 137 | 45 Ų | 45 | 64% | 0.64 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -63.7 | -46.3 | 176.8 | -58.4 | 71.4 | -154.3 | 0 | 0 | 111.4 | S274 K279 E280 | S274-E276 VanDerWaalsContact CB-OE2 3.25Å; S274-E276 WeakPolarHBondContact CB-OE2 3.46Å; S274-E276 PolarHBondContact O-N 3.43Å; S274-E276 PolarHBondContact OG-N 3.47Å; S274-E276 PolarHBondContact OG-OE2 2.96Å; E276-K279 PolarHBondContact O-N 3.17Å; E276-E280 PolarHBondContact O-N 3.33Å; E276-E280 VanDerWaalsContact O-N 3.12Å |
| 277 | Y | 97.7 | Very high | 94.5 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 11% | 0.114 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.5 | -48.5 | 175.3 | -178.7 | -77.2 | 0 | 0 | 0 | 110.9 | L119 S120 I122 G125 F261 P273 S274 K279 E280 W281 | L119-Y277 PolarHBondContact O-OH 3.39Å; S120-Y277 VanDerWaalsContact O-CE2 3.29Å; S120-Y277 WeakPolarHBondContact O-CE2 3.45Å; I122-Y277 HydrophobicContact CB-CD2 4.36Å; I122-Y277 HydrophobicContact CB-CE2 4Å; I122-Y277 HydrophobicContact CD1-CD2 4.13Å; I122-Y277 HydrophobicContact CD1-CE1 4.4Å; I122-Y277 HydrophobicContact CD1-CE2 3.83Å; I122-Y277 HydrophobicContact CG1-CE2 4.44Å; G125-Y277 WeakPolarHBondContact CA-OH 3.46Å; F261-Y277 HydrophobicContact CE1-CE1 4.01Å; F261-Y277 AromaticContact CE1-CZ 3.96Å; F261-Y277 AromaticContact CZ-CE1 3.98Å; F261-Y277 HydrophobicContact CZ-CE1 3.98Å; P273-Y277 HydrophobicContact CB-CD1 3.65Å; P273-Y277 HydrophobicContact CB-CE1 4.33Å; P273-Y277 HydrophobicContact CB-CG 4.21Å; P273-Y277 HydrophobicContact CG-CD1 4.37Å; S274-Y277 PolarHBondContact O-N 3.49Å; S274-Y277 VanDerWaalsContact O-N 3.08Å; S274-Y277 PolarHBondContact OG-N 2.84Å; Y277-K279 VanDerWaalsContact C-N 3.27Å; Y277-K279 PolarHBondContact O-N 3.12Å; Y277-E280 PolarHBondContact O-N 3.43Å; Y277-E280 VanDerWaalsContact O-N 3.17Å; Y277-W281 HydrophobicContact CD1-CB 4.32Å; Y277-W281 HydrophobicContact CE1-CB 4.06Å; Y277-W281 AromaticContact CE1-CD1 3.66Å; Y277-W281 HydrophobicContact CE1-CG 4.17Å; Y277-W281 WeakPolarHBondContact O-CB 3.47Å; Y277-W281 PolarHBondContact O-N 3.38Å |
| 278 | Q | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58 | -42.7 | 180 | -65.3 | -179.5 | 29.4 | 0 | 0 | 111 | F258 Y272 P273 S274 I275 E280 W281 I282 L313 N317 | F258-Q278 HydrophobicContact CD2-CG 3.84Å; F258-Q278 HydrophobicContact CE2-CB 3.82Å; F258-Q278 HydrophobicContact CE2-CG 3.55Å; F258-Q278 HydrophobicContact CZ-CB 4.27Å; F258-Q278 HydrophobicContact CZ-CG 4.18Å; Y272-Q278 VanDerWaalsContact CE1-NE2 3.34Å; P273-Q278 HydrophobicContact CB-CG 3.85Å; P273-Q278 PolarHBondContact O-NE2 2.72Å; S274-Q278 VanDerWaalsContact O-CG 3.31Å; S274-Q278 WeakPolarHBondContact O-CG 3.23Å; S274-Q278 PolarHBondContact O-N 3.33Å; I275-Q278 PolarHBondContact O-N 2.88Å; Q278-E280 PolarHBondContact O-N 3.47Å; Q278-W281 PolarHBondContact O-N 2.88Å; Q278-I282 WeakPolarHBondContact O-CB 3.22Å; Q278-I282 WeakPolarHBondContact O-CD1 3.48Å; Q278-I282 WeakPolarHBondContact O-CG1 3.47Å; Q278-I282 PolarHBondContact O-N 3.32Å; Q278-L313 HydrophobicContact CB-CD2 3.48Å; Q278-L313 VanDerWaalsContact CB-CD2 3.48Å; Q278-N317 PolarHBondContact OE1-ND2 3.37Å |
| 279 | K | 96.2 | Very high | 95 | Very high | 59 Ų | 59 | 41.1 Ų | 41.1 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.1 | -45.8 | 178 | -174.5 | 178.2 | 177.7 | 177.3 | 0 | 111.3 | I275 E276 Y277 N283 E306 I309 L313 | I275-K279 VanDerWaalsContact O-CB 3.22Å; I275-K279 WeakPolarHBondContact O-CB 3.32Å; I275-K279 PolarHBondContact O-N 2.99Å; E276-K279 PolarHBondContact O-N 3.17Å; Y277-K279 VanDerWaalsContact C-N 3.27Å; Y277-K279 PolarHBondContact O-N 3.12Å; K279-N283 WeakPolarHBondContact O-CB 3.45Å; K279-N283 PolarHBondContact O-N 2.96Å; K279-N283 PolarHBondContact O-ND2 3.11Å; K279-E306 WeakPolarHBondContact CE-OE1 3.38Å; K279-E306 WeakPolarHBondContact CE-OE2 3.28Å; K279-E306 IonicContact NZ-OE1 2.93Å; K279-E306 PolarHBondContact NZ-OE1 3.28Å; K279-E306 IonicContact NZ-OE2 2.87Å; K279-E306 PolarHBondContact NZ-OE2 3.22Å; K279-I309 HydrophobicContact CG-CG2 3.72Å; K279-L313 HydrophobicContact CB-CD1 4.23Å; K279-L313 HydrophobicContact CG-CD1 4.46Å |
| 280 | E | 96.1 | Very high | 95.1 | Very high | 72 Ų | 72 | 39.1 Ų | 39.1 | 34% | 0.336 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67 | -42.5 | 178.2 | -166.5 | -179.2 | 149.5 | 0 | 0 | 112 | I122 R126 E276 Y277 Q278 N283 A284 | I122-E280 HydrophobicContact CD1-CB 4.1Å; I122-E280 HydrophobicContact CD1-CG 4.09Å; I122-E280 HydrophobicContact CG1-CB 4.33Å; I122-E280 HydrophobicContact CG1-CG 3.95Å; I122-E280 WeakPolarHBondContact CG1-OE1 3.45Å; R126-E280 IonicContact CZ-OE1 3.77Å; R126-E280 IonicContact NE-OE1 2.65Å; R126-E280 PolarHBondContact NE-OE1 3.4Å; R126-E280 IonicContact NH2-OE1 3.15Å; R126-E280 PolarHBondContact NH2-OE1 2.82Å; E276-E280 PolarHBondContact O-N 3.33Å; E276-E280 VanDerWaalsContact O-N 3.12Å; Y277-E280 PolarHBondContact O-N 3.43Å; Y277-E280 VanDerWaalsContact O-N 3.17Å; Q278-E280 PolarHBondContact O-N 3.47Å; E280-N283 WeakPolarHBondContact O-CB 3.5Å; E280-N283 PolarHBondContact O-N 3.14Å; E280-A284 PolarHBondContact O-N 3.45Å |
| 281 | W | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62 | -47.3 | 177.9 | -165.7 | 108.8 | 0 | 0 | 0 | 111.5 | I122 G125 I128 A129 M132 I254 H257 F258 Y277 Q278 N283 A284 Y285 | I122-W281 HydrophobicContact CD1-CB 4.39Å; G125-W281 PolarHBondContact O-NE1 3.06Å; I128-W281 HydrophobicContact CG2-CZ2 4.2Å; A129-W281 HydrophobicContact CB-CD2 3.91Å; A129-W281 HydrophobicContact CB-CE3 4.17Å; A129-W281 HydrophobicContact CB-CG 4.49Å; A129-W281 HydrophobicContact CB-CH2 4.04Å; A129-W281 HydrophobicContact CB-CZ2 3.82Å; A129-W281 HydrophobicContact CB-CZ3 4.21Å; M132-W281 HydrophobicContact CE-CH2 4.16Å; M132-W281 HydrophobicContact SD-CH2 3.71Å; I254-W281 HydrophobicContact CB-CZ3 4.18Å; I254-W281 HydrophobicContact CD1-CZ3 3.8Å; I254-W281 HydrophobicContact CG1-CH2 3.92Å; I254-W281 HydrophobicContact CG1-CZ3 3.61Å; I254-W281 HydrophobicContact CG2-CE3 3.92Å; I254-W281 HydrophobicContact CG2-CH2 4.17Å; I254-W281 HydrophobicContact CG2-CZ3 3.57Å; H257-W281 AromaticContact CD2-CZ2 3.78Å; H257-W281 AromaticContact NE2-NE1 3.99Å; F258-W281 HydrophobicContact CE1-CB 4.34Å; F258-W281 AromaticContact CE1-CD2 3.78Å; F258-W281 HydrophobicContact CE1-CD2 3.78Å; F258-W281 HydrophobicContact CE1-CE3 4.16Å; F258-W281 AromaticContact CE1-CG 3.85Å; F258-W281 HydrophobicContact CE1-CG 3.85Å; F258-W281 HydrophobicContact CZ-CB 4.08Å; F258-W281 AromaticContact CZ-CD2 3.88Å; F258-W281 HydrophobicContact CZ-CD2 3.88Å; F258-W281 AromaticContact CZ-CE3 3.9Å; F258-W281 HydrophobicContact CZ-CE3 3.9Å; F258-W281 AromaticContact CZ-CG 3.97Å; F258-W281 HydrophobicContact CZ-CG 3.97Å; Y277-W281 HydrophobicContact CD1-CB 4.32Å; Y277-W281 HydrophobicContact CE1-CB 4.06Å; Y277-W281 AromaticContact CE1-CD1 3.66Å; Y277-W281 HydrophobicContact CE1-CG 4.17Å; Y277-W281 WeakPolarHBondContact O-CB 3.47Å; Y277-W281 PolarHBondContact O-N 3.38Å; Q278-W281 PolarHBondContact O-N 2.88Å; W281-N283 VanDerWaalsContact C-N 3.35Å; W281-N283 PolarHBondContact O-N 3.09Å; W281-A284 WeakPolarHBondContact O-CB 3.2Å; W281-A284 PolarHBondContact O-N 2.95Å; W281-A284 VanDerWaalsContact O-N 3.16Å; W281-Y285 HydrophobicContact CH2-CD2 4.41Å; W281-Y285 HydrophobicContact CZ3-CD2 4.23Å; W281-Y285 AromaticContact CZ3-CG 3.99Å; W281-Y285 HydrophobicContact CZ3-CG 3.99Å; W281-Y285 PolarHBondContact O-N 2.8Å |
| 282 | I | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 177.3 | -71.5 | 166.5 | 0 | 0 | 0 | 110.6 | Q278 A284 Y285 L286 I309 W312 L313 V316 | Q278-I282 WeakPolarHBondContact O-CB 3.22Å; Q278-I282 WeakPolarHBondContact O-CD1 3.48Å; Q278-I282 WeakPolarHBondContact O-CG1 3.47Å; Q278-I282 PolarHBondContact O-N 3.32Å; I282-A284 VanDerWaalsContact C-N 3.32Å; I282-A284 PolarHBondContact O-N 3.29Å; I282-Y285 PolarHBondContact O-N 3.16Å; I282-L286 HydrophobicContact CG2-CD1 3.76Å; I282-L286 HydrophobicContact CG2-CG 4.19Å; I282-L286 WeakPolarHBondContact O-CB 3.41Å; I282-L286 WeakPolarHBondContact O-CG 3.37Å; I282-L286 PolarHBondContact O-N 2.91Å; I282-I309 HydrophobicContact CG2-CD1 4.18Å; I282-I309 HydrophobicContact CG2-CG2 4.46Å; I282-W312 HydrophobicContact CD1-CB 4.38Å; I282-W312 HydrophobicContact CG2-CB 3.8Å; I282-W312 HydrophobicContact CG2-CG 4.22Å; I282-L313 HydrophobicContact CD1-CD2 3.65Å; I282-L313 HydrophobicContact CD1-CG 3.96Å; I282-V316 HydrophobicContact CD1-CG2 4.21Å |
| 283 | N | 94.4 | Very high | 94.4 | Very high | 42 Ų | 42 | 41.4 Ų | 41.4 | 23% | 0.225 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.5 | -44.3 | 174.4 | -88.2 | -64.3 | 0 | 0 | 0 | 111.9 | K279 E280 W281 T287 I309 | K279-N283 WeakPolarHBondContact O-CB 3.45Å; K279-N283 PolarHBondContact O-N 2.96Å; K279-N283 PolarHBondContact O-ND2 3.11Å; E280-N283 WeakPolarHBondContact O-CB 3.5Å; E280-N283 PolarHBondContact O-N 3.14Å; W281-N283 VanDerWaalsContact C-N 3.35Å; W281-N283 PolarHBondContact O-N 3.09Å; N283-T287 VanDerWaalsContact O-CB 3.29Å; N283-T287 WeakPolarHBondContact O-CB 3.31Å; N283-T287 PolarHBondContact O-N 3.01Å; N283-T287 PolarHBondContact O-OG1 3.35Å; N283-I309 VanDerWaalsContact OD1-CD1 3.32Å; N283-I309 WeakPolarHBondContact OD1-CD1 3.07Å |
| 284 | A | 95.4 | Very high | 93.3 | Very high | 19 Ų | 19 | 49.1 Ų | 49.1 | 16% | 0.157 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64 | -42.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R126 A129 E280 W281 I282 A288 | R126-A284 HydrophobicContact CB-CB 4.43Å; R126-A284 HydrophobicContact CG-CB 3.99Å; A129-A284 HydrophobicContact CB-CB 4.1Å; E280-A284 PolarHBondContact O-N 3.45Å; W281-A284 WeakPolarHBondContact O-CB 3.2Å; W281-A284 PolarHBondContact O-N 2.95Å; W281-A284 VanDerWaalsContact O-N 3.16Å; I282-A284 VanDerWaalsContact C-N 3.32Å; I282-A284 PolarHBondContact O-N 3.29Å; A284-A288 WeakPolarHBondContact O-CB 3.45Å; A284-A288 PolarHBondContact O-N 3.05Å; A284-A288 VanDerWaalsContact O-N 3.12Å |
| 285 | Y | 97 | Very high | 91.9 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.1 | -53.8 | 176 | 167.1 | -95.8 | 0 | 0 | 0 | 111.4 | M132 A133 H136 A250 I254 W281 I282 T287 A288 Y289 W312 | M132-Y285 HydrophobicContact CG-CE2 4.32Å; A133-Y285 HydrophobicContact CB-CD2 3.85Å; A133-Y285 HydrophobicContact CB-CE2 3.89Å; H136-Y285 AromaticContact ND1-CE2 3.43Å; H136-Y285 WeakPolarHBondContact ND1-CE2 3.47Å; H136-Y285 AromaticContact ND1-CZ 3.49Å; H136-Y285 PolarHBondContact ND1-OH 3.27Å; A250-Y285 WeakPolarHBondContact CB-OH 3.3Å; I254-Y285 HydrophobicContact CD1-CD1 3.84Å; I254-Y285 HydrophobicContact CD1-CD2 4.42Å; I254-Y285 HydrophobicContact CD1-CE1 3.98Å; I254-Y285 HydrophobicContact CD1-CG 4.1Å; W281-Y285 HydrophobicContact CH2-CD2 4.41Å; W281-Y285 HydrophobicContact CZ3-CD2 4.23Å; W281-Y285 AromaticContact CZ3-CG 3.99Å; W281-Y285 HydrophobicContact CZ3-CG 3.99Å; W281-Y285 PolarHBondContact O-N 2.8Å; I282-Y285 PolarHBondContact O-N 3.16Å; Y285-T287 PolarHBondContact O-N 3.06Å; Y285-A288 PolarHBondContact O-N 2.83Å; Y285-A288 VanDerWaalsContact O-N 3.14Å; Y285-Y289 AromaticContact CZ-CD2 3.98Å; Y285-Y289 WeakPolarHBondContact O-CB 3.45Å; Y285-Y289 PolarHBondContact O-N 2.79Å; Y285-Y289 WeakPolarHBondContact OH-CD2 3.38Å; Y285-W312 HydrophobicContact CD1-CZ3 4.28Å; Y285-W312 AromaticContact CE1-CH2 3.69Å; Y285-W312 HydrophobicContact CE1-CH2 3.69Å; Y285-W312 AromaticContact CE1-CZ3 3.78Å; Y285-W312 HydrophobicContact CE1-CZ3 3.78Å |
| 286 | L | 94.3 | Very high | 90 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.4 | -46.2 | -177.7 | -69.6 | 174.4 | 0 | 0 | 0 | 111.1 | I282 A288 Y289 Y290 Y308 I309 W312 | I282-L286 HydrophobicContact CG2-CD1 3.76Å; I282-L286 HydrophobicContact CG2-CG 4.19Å; I282-L286 WeakPolarHBondContact O-CB 3.41Å; I282-L286 WeakPolarHBondContact O-CG 3.37Å; I282-L286 PolarHBondContact O-N 2.91Å; L286-A288 VanDerWaalsContact C-N 3.25Å; L286-A288 PolarHBondContact O-N 3.42Å; L286-Y289 PolarHBondContact O-N 3.16Å; L286-Y289 VanDerWaalsContact O-N 3.17Å; L286-Y290 HydrophobicContact CB-CD2 4.3Å; L286-Y290 HydrophobicContact CB-CE2 4.18Å; L286-Y290 HydrophobicContact CD2-CE2 4.06Å; L286-Y290 WeakPolarHBondContact O-CD2 3.29Å; L286-Y290 PolarHBondContact O-N 3.43Å; L286-Y308 HydrophobicContact CD1-CD1 4.33Å; L286-Y308 HydrophobicContact CD1-CE1 3.99Å; L286-I309 HydrophobicContact CD1-CD1 3.56Å; L286-W312 HydrophobicContact CD1-CD2 4.43Å; L286-W312 HydrophobicContact CD1-CG 4.27Å; L286-W312 HydrophobicContact CD2-CD2 4.12Å; L286-W312 HydrophobicContact CD2-CH2 4.06Å; L286-W312 HydrophobicContact CD2-CZ2 3.58Å |
| 287 | T | 92.1 | Very high | 88 | Confident | 56 Ų | 56 | 53.7 Ų | 53.7 | 34% | 0.344 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -54.7 | -43.5 | 176.1 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | N283 Y285 K291 | N283-T287 VanDerWaalsContact O-CB 3.29Å; N283-T287 WeakPolarHBondContact O-CB 3.31Å; N283-T287 PolarHBondContact O-N 3.01Å; N283-T287 PolarHBondContact O-OG1 3.35Å; Y285-T287 PolarHBondContact O-N 3.06Å; T287-K291 WeakPolarHBondContact O-CB 3.31Å; T287-K291 PolarHBondContact O-N 3.46Å |
| 288 | A | 93.7 | Very high | 86 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 7% | 0.066 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70 | -44.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K130 A133 A284 Y285 L286 Y290 K291 Y292 | K130-A288 HydrophobicContact CB-CB 4.28Å; K130-A288 HydrophobicContact CG-CB 3.83Å; A133-A288 HydrophobicContact CB-CB 3.71Å; A284-A288 WeakPolarHBondContact O-CB 3.45Å; A284-A288 PolarHBondContact O-N 3.05Å; A284-A288 VanDerWaalsContact O-N 3.12Å; Y285-A288 PolarHBondContact O-N 2.83Å; Y285-A288 VanDerWaalsContact O-N 3.14Å; L286-A288 VanDerWaalsContact C-N 3.25Å; L286-A288 PolarHBondContact O-N 3.42Å; A288-Y290 PolarHBondContact O-N 2.75Å; A288-K291 WeakPolarHBondContact O-CB 3.15Å; A288-K291 PolarHBondContact O-N 2.81Å; A288-K291 VanDerWaalsContact O-N 3.16Å; A288-Y292 HydrophobicContact CB-CD2 4.34Å; A288-Y292 HydrophobicContact CB-CE2 4.03Å; A288-Y292 WeakPolarHBondContact O-CD2 3.25Å; A288-Y292 PolarHBondContact O-N 3.29Å |
| 289 | Y | 93.3 | Very high | 84 | Confident | 23 Ų | 23 | 57.5 Ų | 57.5 | 9% | 0.09 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.2 | -49.1 | -178.7 | 179.8 | -88.5 | 0 | 0 | 0 | 111.7 | H136 C137 V217 Y285 L286 K291 Y292 S293 | H136-Y289 HydrophobicContact CB-CD2 4Å; H136-Y289 HydrophobicContact CB-CE2 3.88Å; C137-Y289 WeakPolarHBondContact SG-CD2 3.42Å; C137-Y289 VanDerWaalsContact SG-CE2 3.6Å; C137-Y289 PolarHBondContact SG-O 3.16Å; C137-Y289 VanDerWaalsContact SG-O 3.37Å; V217-Y289 HydrophobicContact CG1-CE2 4.29Å; Y285-Y289 AromaticContact CZ-CD2 3.98Å; Y285-Y289 WeakPolarHBondContact O-CB 3.45Å; Y285-Y289 PolarHBondContact O-N 2.79Å; Y285-Y289 WeakPolarHBondContact OH-CD2 3.38Å; L286-Y289 PolarHBondContact O-N 3.16Å; L286-Y289 VanDerWaalsContact O-N 3.17Å; Y289-K291 VanDerWaalsContact C-N 3.27Å; Y289-K291 PolarHBondContact O-N 2.93Å; Y289-Y292 PolarHBondContact O-N 3.14Å; Y289-S293 WeakPolarHBondContact O-CB 3.35Å; Y289-S293 PolarHBondContact O-N 3.12Å; Y289-S293 PolarHBondContact O-OG 3.31Å |
| 290 | Y | 89.3 | Confident | 82 | Confident | 17 Ų | 17 | 62.9 Ų | 62.9 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.9 | -27.6 | 178.4 | -69.2 | -71.3 | 0 | 0 | 0 | 112.9 | L286 A288 S293 S295 D298 L299 I303 Y308 | L286-Y290 HydrophobicContact CB-CD2 4.3Å; L286-Y290 HydrophobicContact CB-CE2 4.18Å; L286-Y290 HydrophobicContact CD2-CE2 4.06Å; L286-Y290 WeakPolarHBondContact O-CD2 3.29Å; L286-Y290 PolarHBondContact O-N 3.43Å; A288-Y290 PolarHBondContact O-N 2.75Å; Y290-S293 WeakPolarHBondContact CA-OG 3.47Å; Y290-S295 WeakPolarHBondContact CD1-OG 3.44Å; Y290-D298 HydrophobicContact CD1-CB 3.46Å; Y290-D298 VanDerWaalsContact CD1-CB 3.46Å; Y290-D298 HydrophobicContact CE1-CB 3.29Å; Y290-D298 HydrophobicContact CG-CB 4.42Å; Y290-L299 WeakPolarHBondContact O-CD1 3.37Å; Y290-I303 HydrophobicContact CD2-CG2 3.33Å; Y290-I303 HydrophobicContact CE2-CG2 3.23Å; Y290-I303 HydrophobicContact CG-CG2 4.31Å; Y290-Y308 PolarHBondContact OH-OH 3Å |
| 291 | K | 89.5 | Confident | 80.2 | Confident | 152 Ų | 152 | 64.6 Ų | 64.6 | 66% | 0.661 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -67.5 | -43.1 | 171.4 | -178.4 | 179.7 | 178.4 | 178.1 | 0 | 111.7 | T287 A288 Y289 | T287-K291 WeakPolarHBondContact O-CB 3.31Å; T287-K291 PolarHBondContact O-N 3.46Å; A288-K291 WeakPolarHBondContact O-CB 3.15Å; A288-K291 PolarHBondContact O-N 2.81Å; A288-K291 VanDerWaalsContact O-N 3.16Å; Y289-K291 VanDerWaalsContact C-N 3.27Å; Y289-K291 PolarHBondContact O-N 2.93Å |
| 292 | Y | 90 | Very high | 78.5 | Confident | 91 Ų | 91 | 67.6 Ų | 67.6 | 36% | 0.357 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -75.8 | -38.4 | -177.7 | -70.7 | -53.3 | 0 | 0 | 0 | 113.6 | A133 Q134 C137 A288 Y289 Q294 | A133-Y292 HydrophobicContact CB-CD2 4.27Å; Q134-Y292 HydrophobicContact CB-CE2 4.4Å; Q134-Y292 HydrophobicContact CG-CD1 4.33Å; Q134-Y292 HydrophobicContact CG-CD2 3.75Å; Q134-Y292 HydrophobicContact CG-CE1 3.92Å; Q134-Y292 HydrophobicContact CG-CE2 3.27Å; Q134-Y292 HydrophobicContact CG-CG 4.28Å; Q134-Y292 PolarHBondContact NE2-OH 3.01Å; C137-Y292 VanDerWaalsContact SG-CB 3.59Å; A288-Y292 HydrophobicContact CB-CD2 4.34Å; A288-Y292 HydrophobicContact CB-CE2 4.03Å; A288-Y292 WeakPolarHBondContact O-CD2 3.25Å; A288-Y292 PolarHBondContact O-N 3.29Å; Y289-Y292 PolarHBondContact O-N 3.14Å; Y292-Q294 PolarHBondContact O-N 3.4Å; Y292-Q294 VanDerWaalsContact O-N 3.11Å |
| 293 | S | 85.4 | Confident | 76.8 | Confident | 45 Ų | 45 | 67.7 Ų | 67.7 | 32% | 0.315 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -0.2 | 179.5 | 53.2 | 0 | 0 | 0 | 0 | 114.4 | Y289 Y290 S295 | Y289-S293 WeakPolarHBondContact O-CB 3.35Å; Y289-S293 PolarHBondContact O-N 3.12Å; Y289-S293 PolarHBondContact O-OG 3.31Å; Y290-S293 WeakPolarHBondContact CA-OG 3.47Å; S293-S295 PolarHBondContact O-N 2.7Å; S293-S295 PolarHBondContact OG-OG 3.03Å |
| 294 | Q | 74.5 | Confident | 75.2 | Confident | 171 Ų | 171 | 74.2 Ų | 74.2 | 80% | 0.799 | 36% | 0.359 | S | S | * | . | trans | 56.1 | 12.8 | -177.3 | -54.6 | -176.3 | 9.3 | 0 | 0 | 114.6 | Y292 K296 | Y292-Q294 PolarHBondContact O-N 3.4Å; Y292-Q294 VanDerWaalsContact O-N 3.11Å; Q294-K296 PolarHBondContact O-N 3.15Å | ||
| 295 | S | 66.4 | Low | 74.3 | Confident | 29 Ų | 29 | 78.5 Ų | 78.5 | 20% | 0.203 | 37% | 0.374 | C | S | . | . | trans | -76.1 | 74.2 | 175.7 | 59.1 | 0 | 0 | 0 | 0 | 109.7 | Y290 S293 L297 D298 | Y290-S295 WeakPolarHBondContact CD1-OG 3.44Å; S293-S295 PolarHBondContact O-N 2.7Å; S293-S295 PolarHBondContact OG-OG 3.03Å; S295-L297 PolarHBondContact O-N 3.34Å; S295-L297 VanDerWaalsContact O-N 3.16Å; S295-D298 PolarHBondContact O-N 3.13Å | ||
| 296 | K | 56.2 | Low | 73.8 | Confident | 176 Ų | 176 | 82.9 Ų | 82.9 | 77% | 0.765 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -26.1 | 178.2 | -72.9 | -173.8 | 178.1 | 180 | 0 | 112.8 | Q294 | Q294-K296 PolarHBondContact O-N 3.15Š|
| 297 | L | 53.1 | Low | 73.5 | Confident | 137 Ų | 137 | 88.4 Ų | 88.4 | 72% | 0.717 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -35.6 | -177.8 | -132.6 | 77.3 | 0 | 0 | 0 | 112.9 | S295 | S295-L297 PolarHBondContact O-N 3.34Å; S295-L297 VanDerWaalsContact O-N 3.16Å |
| 298 | D | 55.7 | Low | 73.4 | Confident | 58 Ų | 58 | 87.4 Ų | 87.4 | 31% | 0.31 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -81.2 | -28.6 | -174.8 | -70.7 | -18.9 | 0 | 0 | 0 | 113 | Y290 S295 Q300 L301 | Y290-D298 HydrophobicContact CD1-CB 3.46Å; Y290-D298 VanDerWaalsContact CD1-CB 3.46Å; Y290-D298 HydrophobicContact CE1-CB 3.29Å; Y290-D298 HydrophobicContact CG-CB 4.42Å; S295-D298 PolarHBondContact O-N 3.13Å; D298-Q300 PolarHBondContact O-N 2.92Å; D298-L301 PolarHBondContact O-N 3.4Å |
| 299 | L | 57 | Low | 73.4 | Confident | 51 Ų | 51 | 87.2 Ų | 87.2 | 27% | 0.267 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -57.3 | -28.6 | 176 | -96.8 | 145.1 | 0 | 0 | 0 | 113 | Y290 I303 | Y290-L299 WeakPolarHBondContact O-CD1 3.37Å; L299-I303 HydrophobicContact CD2-CD1 3.75Å |
| 300 | Q | 54.6 | Low | 73.3 | Confident | 172 Ų | 172 | 89.2 Ų | 89.2 | 80% | 0.804 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -91.2 | -15.8 | -175.8 | -74.5 | -175.1 | -15.8 | 0 | 0 | 114.2 | D298 | D298-Q300 PolarHBondContact O-N 2.92Š|
| 301 | L | 58.2 | Low | 73.5 | Confident | 107 Ų | 107 | 92.8 Ų | 92.8 | 56% | 0.56 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | -29.1 | -164.2 | -78.8 | 161.8 | 0 | 0 | 0 | 116.1 | D298 K305 | D298-L301 PolarHBondContact O-N 3.4Å; L301-K305 WeakPolarHBondContact O-CE 3.4Å; L301-K305 PolarHBondContact O-NZ 3.24Å; L301-K305 VanDerWaalsContact O-NZ 3.07Å |
| 302 | N | 61.5 | Low | 73.9 | Confident | 64 Ų | 64 | 86 Ų | 86 | 34% | 0.342 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.9 | -22.6 | -170 | -71.7 | -30.5 | 0 | 0 | 0 | 117.1 | Y304 K305 Y308 | N302-Y304 PolarHBondContact O-N 3.38Å; N302-Y304 VanDerWaalsContact O-N 3.14Å; N302-K305 PolarHBondContact O-N 3.03Å; N302-K305 VanDerWaalsContact O-N 3.08Å; N302-K305 PolarHBondContact OD1-NZ 3.38Å; N302-K305 VanDerWaalsContact OD1-NZ 3.12Å; N302-Y308 HydrophobicContact CB-CD1 4.36Å; N302-Y308 HydrophobicContact CB-CG 4.36Å |
| 303 | I | 60.4 | Low | 74.2 | Confident | 1 Ų | 1 | 81.9 Ų | 81.9 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -19.2 | -168.8 | 66.4 | 172.4 | 0 | 0 | 0 | 115.3 | Y290 L299 | Y290-I303 HydrophobicContact CD2-CG2 3.33Å; Y290-I303 HydrophobicContact CE2-CG2 3.23Å; Y290-I303 HydrophobicContact CG-CG2 4.31Å; L299-I303 HydrophobicContact CD2-CD1 3.75Å |
| 304 | Y | 61.6 | Low | 74.7 | Confident | 179 Ų | 179 | 83.4 Ų | 83.4 | 70% | 0.702 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 2.2 | 177.8 | -58.5 | -70 | 0 | 0 | 0 | 113.1 | N302 E306 | N302-Y304 PolarHBondContact O-N 3.38Å; N302-Y304 VanDerWaalsContact O-N 3.14Å; Y304-E306 PolarHBondContact O-N 3.24Å |
| 305 | K | 76.8 | Confident | 75.7 | Confident | 109 Ų | 109 | 76 Ų | 76 | 47% | 0.474 | 36% | 0.362 | S | S | . | . | trans | -81 | 121.1 | 175.6 | -69.5 | -178.9 | -177.2 | 159.3 | 0 | 108.9 | L301 N302 D307 Y308 I309 | L301-K305 WeakPolarHBondContact O-CE 3.4Å; L301-K305 PolarHBondContact O-NZ 3.24Å; L301-K305 VanDerWaalsContact O-NZ 3.07Å; N302-K305 PolarHBondContact O-N 3.03Å; N302-K305 VanDerWaalsContact O-N 3.08Å; N302-K305 PolarHBondContact OD1-NZ 3.38Å; N302-K305 VanDerWaalsContact OD1-NZ 3.12Å; K305-D307 PolarHBondContact O-N 2.95Å; K305-Y308 PolarHBondContact O-N 2.96Å; K305-I309 PolarHBondContact O-N 3.11Å | ||
| 306 | E | 86.4 | Confident | 77.3 | Confident | 94 Ų | 94 | 74.6 Ų | 74.6 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -47.4 | -44.9 | 175.3 | -172.3 | 64.5 | -162 | 0 | 0 | 111.7 | K279 Y304 Y308 I309 N310 | K279-E306 WeakPolarHBondContact CE-OE1 3.38Å; K279-E306 WeakPolarHBondContact CE-OE2 3.28Å; K279-E306 IonicContact NZ-OE1 2.93Å; K279-E306 PolarHBondContact NZ-OE1 3.28Å; K279-E306 IonicContact NZ-OE2 2.87Å; K279-E306 PolarHBondContact NZ-OE2 3.22Å; Y304-E306 PolarHBondContact O-N 3.24Å; E306-Y308 VanDerWaalsContact C-N 3.3Å; E306-Y308 PolarHBondContact O-N 3.1Å; E306-I309 PolarHBondContact O-N 3.49Å; E306-N310 WeakPolarHBondContact O-CB 3.28Å; E306-N310 VanDerWaalsContact O-CG 3.24Å; E306-N310 PolarHBondContact O-N 2.9Å; E306-N310 PolarHBondContact O-ND2 3.04Å |
| 307 | D | 88.1 | Confident | 79.3 | Confident | 116 Ų | 116 | 66.2 Ų | 66.2 | 62% | 0.62 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.6 | -35.7 | 179.5 | -63.1 | -23.3 | 0 | 0 | 0 | 113.6 | K305 N310 Q311 | K305-D307 PolarHBondContact O-N 2.95Å; D307-N310 PolarHBondContact O-N 3.3Å; D307-Q311 WeakPolarHBondContact O-CG 3.27Å; D307-Q311 PolarHBondContact O-N 2.92Å; D307-Q311 VanDerWaalsContact O-N 3.09Å; D307-Q311 PolarHBondContact O-NE2 2.87Å |
| 308 | Y | 90.3 | Very high | 81.4 | Confident | 36 Ų | 36 | 59.8 Ų | 59.8 | 14% | 0.141 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.8 | -40.7 | 179.7 | -174.8 | -116.1 | 0 | 0 | 0 | 111.2 | I213 L286 Y290 N302 K305 E306 N310 Q311 W312 | I213-Y308 HydrophobicContact CD1-CE2 4.15Å; L286-Y308 HydrophobicContact CD1-CD1 4.33Å; L286-Y308 HydrophobicContact CD1-CE1 3.99Å; Y290-Y308 PolarHBondContact OH-OH 3Å; N302-Y308 HydrophobicContact CB-CD1 4.36Å; N302-Y308 HydrophobicContact CB-CG 4.36Å; K305-Y308 PolarHBondContact O-N 2.96Å; E306-Y308 VanDerWaalsContact C-N 3.3Å; E306-Y308 PolarHBondContact O-N 3.1Å; Y308-N310 VanDerWaalsContact C-N 3.32Å; Y308-Q311 PolarHBondContact O-N 3.06Å; Y308-W312 AromaticContact CE1-CD1 3.89Å; Y308-W312 AromaticContact CE1-NE1 3.65Å; Y308-W312 AromaticContact CE2-NE1 3.86Å; Y308-W312 AromaticContact CZ-CD1 3.78Å; Y308-W312 AromaticContact CZ-NE1 3.28Å; Y308-W312 VanDerWaalsContact CZ-NE1 3.28Å; Y308-W312 PolarHBondContact O-N 2.93Å; Y308-W312 VanDerWaalsContact O-N 3.16Å; Y308-W312 PolarHBondContact OH-NE1 3Å; Y308-W312 VanDerWaalsContact OH-NE1 3.15Å |
| 309 | I | 92.5 | Very high | 83.4 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 173.9 | -59.6 | -62.1 | 0 | 0 | 0 | 110.8 | K279 I282 N283 L286 K305 E306 Q311 W312 L313 | K279-I309 HydrophobicContact CG-CG2 3.72Å; I282-I309 HydrophobicContact CG2-CD1 4.18Å; I282-I309 HydrophobicContact CG2-CG2 4.46Å; N283-I309 VanDerWaalsContact OD1-CD1 3.32Å; N283-I309 WeakPolarHBondContact OD1-CD1 3.07Å; L286-I309 HydrophobicContact CD1-CD1 3.56Å; K305-I309 PolarHBondContact O-N 3.11Å; E306-I309 PolarHBondContact O-N 3.49Å; I309-Q311 VanDerWaalsContact C-N 3.32Å; I309-Q311 PolarHBondContact O-N 2.86Å; I309-W312 PolarHBondContact O-N 3.08Å; I309-L313 HydrophobicContact CG2-CD1 4.26Å; I309-L313 HydrophobicContact CG2-CG 4.46Å; I309-L313 WeakPolarHBondContact O-CG 3.42Å; I309-L313 PolarHBondContact O-N 3.2Å |
| 310 | N | 92.7 | Very high | 85.4 | Confident | 65 Ų | 65 | 54.6 Ų | 54.6 | 35% | 0.348 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 175.8 | -72.3 | -22.6 | 0 | 0 | 0 | 112.7 | E306 D307 Y308 L313 K314 | E306-N310 WeakPolarHBondContact O-CB 3.28Å; E306-N310 VanDerWaalsContact O-CG 3.24Å; E306-N310 PolarHBondContact O-N 2.9Å; E306-N310 PolarHBondContact O-ND2 3.04Å; D307-N310 PolarHBondContact O-N 3.3Å; Y308-N310 VanDerWaalsContact C-N 3.32Å; N310-L313 PolarHBondContact O-N 3.11Å; N310-K314 WeakPolarHBondContact O-CB 3.1Å; N310-K314 PolarHBondContact O-N 2.79Å |
| 311 | Q | 93.6 | Very high | 87.4 | Confident | 93 Ų | 93 | 46.4 Ų | 46.4 | 44% | 0.435 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.3 | -41.8 | 172.9 | -69.5 | 169.1 | 44.9 | 0 | 0 | 111.8 | I213 D307 Y308 I309 K314 E315 | I213-Q311 HydrophobicContact CD1-CB 3.57Å; D307-Q311 WeakPolarHBondContact O-CG 3.27Å; D307-Q311 PolarHBondContact O-N 2.92Å; D307-Q311 VanDerWaalsContact O-N 3.09Å; D307-Q311 PolarHBondContact O-NE2 2.87Å; Y308-Q311 PolarHBondContact O-N 3.06Å; I309-Q311 VanDerWaalsContact C-N 3.32Å; I309-Q311 PolarHBondContact O-N 2.86Å; Q311-K314 PolarHBondContact O-N 3.02Å; Q311-E315 WeakPolarHBondContact O-CB 3.3Å; Q311-E315 PolarHBondContact O-N 2.91Å |
| 312 | W | 96.1 | Very high | 89.3 | Confident | 10 Ų | 10 | 41.3 Ų | 41.3 | 4% | 0.038 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 174.1 | -88.9 | 80.9 | 0 | 0 | 0 | 112 | I213 A250 A251 I254 I282 Y285 L286 Y308 I309 K314 E315 V316 | I213-W312 HydrophobicContact CD1-CG 4.01Å; A250-W312 HydrophobicContact CB-CH2 4.05Å; A250-W312 HydrophobicContact CB-CZ3 4.45Å; A251-W312 HydrophobicContact CB-CE3 4.34Å; A251-W312 HydrophobicContact CB-CZ3 4.15Å; I254-W312 HydrophobicContact CD1-CE3 4.07Å; I254-W312 HydrophobicContact CD1-CZ3 3.63Å; I282-W312 HydrophobicContact CD1-CB 4.38Å; I282-W312 HydrophobicContact CG2-CB 3.8Å; I282-W312 HydrophobicContact CG2-CG 4.22Å; Y285-W312 HydrophobicContact CD1-CZ3 4.28Å; Y285-W312 AromaticContact CE1-CH2 3.69Å; Y285-W312 HydrophobicContact CE1-CH2 3.69Å; Y285-W312 AromaticContact CE1-CZ3 3.78Å; Y285-W312 HydrophobicContact CE1-CZ3 3.78Å; L286-W312 HydrophobicContact CD1-CD2 4.43Å; L286-W312 HydrophobicContact CD1-CG 4.27Å; L286-W312 HydrophobicContact CD2-CD2 4.12Å; L286-W312 HydrophobicContact CD2-CH2 4.06Å; L286-W312 HydrophobicContact CD2-CZ2 3.58Å; Y308-W312 AromaticContact CE1-CD1 3.89Å; Y308-W312 AromaticContact CE1-NE1 3.65Å; Y308-W312 AromaticContact CE2-NE1 3.86Å; Y308-W312 AromaticContact CZ-CD1 3.78Å; Y308-W312 AromaticContact CZ-NE1 3.28Å; Y308-W312 VanDerWaalsContact CZ-NE1 3.28Å; Y308-W312 PolarHBondContact O-N 2.93Å; Y308-W312 VanDerWaalsContact O-N 3.16Å; Y308-W312 PolarHBondContact OH-NE1 3Å; Y308-W312 VanDerWaalsContact OH-NE1 3.15Å; I309-W312 PolarHBondContact O-N 3.08Å; W312-K314 VanDerWaalsContact C-N 3.32Å; W312-K314 PolarHBondContact O-N 2.86Å; W312-E315 PolarHBondContact O-N 2.83Å; W312-V316 HydrophobicContact CE3-CG2 4.27Å; W312-V316 VanDerWaalsContact O-CB 3.29Å; W312-V316 WeakPolarHBondContact O-CB 3.47Å; W312-V316 WeakPolarHBondContact O-CG2 3.2Å; W312-V316 PolarHBondContact O-N 3.41Å |
| 313 | L | 96.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.5 | -48.9 | 176 | -78.6 | 167.3 | 0 | 0 | 0 | 111.1 | I275 Q278 K279 I282 I309 N310 N317 F366 | I275-L313 HydrophobicContact CG2-CD1 4.21Å; Q278-L313 HydrophobicContact CB-CD2 3.48Å; Q278-L313 VanDerWaalsContact CB-CD2 3.48Å; K279-L313 HydrophobicContact CB-CD1 4.23Å; K279-L313 HydrophobicContact CG-CD1 4.46Å; I282-L313 HydrophobicContact CD1-CD2 3.65Å; I282-L313 HydrophobicContact CD1-CG 3.96Å; I309-L313 HydrophobicContact CG2-CD1 4.26Å; I309-L313 HydrophobicContact CG2-CG 4.46Å; I309-L313 WeakPolarHBondContact O-CG 3.42Å; I309-L313 PolarHBondContact O-N 3.2Å; N310-L313 PolarHBondContact O-N 3.11Å; L313-N317 PolarHBondContact O-N 2.92Å; L313-N317 VanDerWaalsContact O-N 3.15Å; L313-N317 PolarHBondContact O-ND2 3.48Å; L313-F366 HydrophobicContact CB-CE1 3.87Å; L313-F366 HydrophobicContact CB-CZ 4.36Å |
| 314 | K | 96 | Very high | 92.8 | Very high | 77 Ų | 77 | 38.2 Ų | 38.2 | 34% | 0.335 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.5 | -51.9 | 176.7 | 176.2 | -177.3 | 176 | 175.4 | 0 | 111.5 | N310 Q311 W312 N317 C318 F366 L368 | N310-K314 WeakPolarHBondContact O-CB 3.1Å; N310-K314 PolarHBondContact O-N 2.79Å; Q311-K314 PolarHBondContact O-N 3.02Å; W312-K314 VanDerWaalsContact C-N 3.32Å; W312-K314 PolarHBondContact O-N 2.86Å; K314-N317 PolarHBondContact O-N 2.81Å; K314-C318 PolarHBondContact O-N 3.4Å; K314-C318 PolarHBondContact O-SG 3.29Å; K314-F366 HydrophobicContact CB-CB 4.36Å; K314-F366 HydrophobicContact CB-CD1 4.07Å; K314-F366 HydrophobicContact CB-CG 4.26Å; K314-F366 HydrophobicContact CG-CB 4.13Å; K314-F366 HydrophobicContact CG-CG 4.47Å; K314-L368 HydrophobicContact CD-CD2 4.41Å; K314-L368 HydrophobicContact CG-CD1 4.27Å |
| 315 | E | 97.2 | Very high | 94.6 | Very high | 16 Ų | 16 | 29.7 Ų | 29.7 | 8% | 0.075 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.1 | -44.6 | -176.2 | -177 | 169.1 | 107.5 | 0 | 0 | 112.8 | L209 P212 I213 S214 A251 Q311 W312 N317 C318 F319 | L209-E315 HydrophobicContact CD2-CG 4.26Å; P212-E315 WeakPolarHBondContact CA-OE2 3.5Å; P212-E315 WeakPolarHBondContact CB-OE2 3.34Å; I213-E315 WeakPolarHBondContact CG1-OE2 3.46Å; I213-E315 PolarHBondContact N-OE2 2.83Å; S214-E315 WeakPolarHBondContact CA-OE1 3.49Å; S214-E315 WeakPolarHBondContact CB-OE1 3.42Å; S214-E315 PolarHBondContact N-OE1 3.39Å; S214-E315 PolarHBondContact OG-OE1 3.14Å; A251-E315 HydrophobicContact CB-CB 4.48Å; A251-E315 HydrophobicContact CB-CG 3.8Å; A251-E315 WeakPolarHBondContact CB-OE1 3.23Å; Q311-E315 WeakPolarHBondContact O-CB 3.3Å; Q311-E315 PolarHBondContact O-N 2.91Å; W312-E315 PolarHBondContact O-N 2.83Å; E315-N317 VanDerWaalsContact C-N 3.31Å; E315-N317 PolarHBondContact O-N 3.02Å; E315-C318 WeakPolarHBondContact O-CB 3.26Å; E315-C318 PolarHBondContact O-N 2.84Å; E315-C318 VanDerWaalsContact O-N 3.13Å; E315-F319 HydrophobicContact CG-CD2 3.69Å; E315-F319 HydrophobicContact CG-CE2 3.5Å; E315-F319 VanDerWaalsContact CG-CE2 3.5Å; E315-F319 VanDerWaalsContact O-CD2 3.32Å; E315-F319 WeakPolarHBondContact O-CD2 3.46Å; E315-F319 PolarHBondContact O-N 2.93Å |
| 316 | V | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.7 | -45.3 | 176.3 | 165.7 | 0 | 0 | 0 | 0 | 111 | A251 I254 F258 I282 W312 F319 A320 | A251-V316 HydrophobicContact CB-CG2 3.87Å; I254-V316 HydrophobicContact CB-CG1 4.3Å; I254-V316 HydrophobicContact CB-CG2 4.08Å; I254-V316 HydrophobicContact CD1-CG2 4.4Å; I254-V316 HydrophobicContact CG2-CG1 3.78Å; I254-V316 HydrophobicContact CG2-CG2 3.96Å; F258-V316 HydrophobicContact CD2-CG1 3.65Å; F258-V316 HydrophobicContact CE2-CG1 3.71Å; I282-V316 HydrophobicContact CD1-CG2 4.21Å; W312-V316 HydrophobicContact CE3-CG2 4.27Å; W312-V316 VanDerWaalsContact O-CB 3.29Å; W312-V316 WeakPolarHBondContact O-CB 3.47Å; W312-V316 WeakPolarHBondContact O-CG2 3.2Å; W312-V316 PolarHBondContact O-N 3.41Å; V316-F319 PolarHBondContact O-N 3.34Å; V316-A320 PolarHBondContact O-N 3.2Å |
| 317 | N | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -72.1 | -29.3 | 178.5 | -74.6 | -76 | 0 | 0 | 0 | 112.6 | Y272 Q278 L313 K314 E315 A320 L321 W361 L362 F366 | Y272-N317 WeakPolarHBondContact CE1-OD1 3.27Å; Y272-N317 PolarHBondContact OH-OD1 3.23Å; Q278-N317 PolarHBondContact OE1-ND2 3.37Å; L313-N317 PolarHBondContact O-N 2.92Å; L313-N317 VanDerWaalsContact O-N 3.15Å; L313-N317 PolarHBondContact O-ND2 3.48Å; K314-N317 PolarHBondContact O-N 2.81Å; E315-N317 VanDerWaalsContact C-N 3.31Å; E315-N317 PolarHBondContact O-N 3.02Å; N317-A320 WeakPolarHBondContact O-CB 3.43Å; N317-A320 PolarHBondContact O-N 3.02Å; N317-L321 PolarHBondContact O-N 3Å; N317-W361 HydrophobicContact CB-CZ3 4.28Å; N317-W361 WeakPolarHBondContact OD1-CZ3 3.24Å; N317-L362 HydrophobicContact CB-CD1 4.08Å; N317-L362 HydrophobicContact CB-CD2 4.16Å; N317-L362 HydrophobicContact CB-CG 4.22Å; N317-F366 HydrophobicContact CB-CE2 3.89Å; N317-F366 HydrophobicContact CB-CZ 4.38Å; N317-F366 WeakPolarHBondContact ND2-CZ 3.42Å |
| 318 | C | 97.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.007 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.6 | -40.4 | 170.5 | -66.4 | 0 | 0 | 0 | 0 | 111.1 | Y208 L209 K314 E315 L321 V322 L362 | Y208-C318 HydrophobicContact CD2-CB 4.34Å; L209-C318 HydrophobicContact CD2-CB 3.75Å; L209-C318 HydrophobicContact CG-CB 4.19Å; K314-C318 PolarHBondContact O-N 3.4Å; K314-C318 PolarHBondContact O-SG 3.29Å; E315-C318 WeakPolarHBondContact O-CB 3.26Å; E315-C318 PolarHBondContact O-N 2.84Å; E315-C318 VanDerWaalsContact O-N 3.13Å; C318-L321 WeakPolarHBondContact O-CB 3.39Å; C318-L321 PolarHBondContact O-N 3.29Å; C318-V322 PolarHBondContact O-N 2.6Å; C318-L362 HydrophobicContact CB-CD2 4.37Å; C318-L362 WeakPolarHBondContact SG-CD2 3.38Å |
| 319 | F | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -72 | -26.9 | 174.1 | -77.6 | -63.5 | 0 | 0 | 0 | 113.5 | L162 L209 P212 Y249 A251 Y252 E315 V316 L321 V322 S323 | L162-F319 HydrophobicContact CD2-CD1 3.85Å; L162-F319 HydrophobicContact CD2-CE1 3.77Å; L209-F319 HydrophobicContact CD1-CD1 3.62Å; L209-F319 HydrophobicContact CD1-CE1 3.59Å; L209-F319 HydrophobicContact CD1-CG 4.26Å; L209-F319 HydrophobicContact CD1-CZ 4.21Å; L209-F319 HydrophobicContact CD2-CD1 4.13Å; L209-F319 HydrophobicContact CD2-CD2 3.89Å; L209-F319 HydrophobicContact CD2-CE1 3.91Å; L209-F319 HydrophobicContact CD2-CE2 3.65Å; L209-F319 HydrophobicContact CD2-CG 4.13Å; L209-F319 HydrophobicContact CD2-CZ 3.65Å; L209-F319 HydrophobicContact CG-CE1 4.24Å; L209-F319 HydrophobicContact CG-CZ 4.38Å; P212-F319 HydrophobicContact CB-CE2 4.4Å; P212-F319 HydrophobicContact CB-CZ 4.29Å; P212-F319 HydrophobicContact CG-CZ 4.17Å; Y249-F319 HydrophobicContact CD1-CZ 4.16Å; Y249-F319 AromaticContact CD2-CE1 3.59Å; Y249-F319 HydrophobicContact CD2-CE1 3.59Å; Y249-F319 AromaticContact CD2-CZ 3.44Å; Y249-F319 HydrophobicContact CD2-CZ 3.44Å; Y249-F319 VanDerWaalsContact CD2-CZ 3.44Å; Y249-F319 HydrophobicContact CE2-CE1 4.23Å; Y249-F319 HydrophobicContact CE2-CZ 4.15Å; Y249-F319 HydrophobicContact CG-CE1 4.07Å; Y249-F319 HydrophobicContact CG-CE2 4.17Å; Y249-F319 AromaticContact CG-CZ 3.45Å; Y249-F319 HydrophobicContact CG-CZ 3.45Å; Y249-F319 VanDerWaalsContact CG-CZ 3.45Å; A251-F319 HydrophobicContact CB-CD2 3.66Å; A251-F319 HydrophobicContact CB-CE2 3.9Å; Y252-F319 HydrophobicContact CD2-CB 4.16Å; Y252-F319 HydrophobicContact CD2-CD1 4.04Å; Y252-F319 HydrophobicContact CD2-CG 4.43Å; Y252-F319 HydrophobicContact CG-CD1 4.46Å; E315-F319 HydrophobicContact CG-CD2 3.69Å; E315-F319 HydrophobicContact CG-CE2 3.5Å; E315-F319 VanDerWaalsContact CG-CE2 3.5Å; E315-F319 VanDerWaalsContact O-CD2 3.32Å; E315-F319 WeakPolarHBondContact O-CD2 3.46Å; E315-F319 PolarHBondContact O-N 2.93Å; V316-F319 PolarHBondContact O-N 3.34Å; F319-L321 VanDerWaalsContact C-N 3.29Å; F319-L321 PolarHBondContact O-N 3.41Å; F319-V322 HydrophobicContact CD1-CG2 4.48Å; F319-V322 CarbonylContact O-C 3.58Å; F319-V322 WeakPolarHBondContact O-CA 3.5Å; F319-V322 WeakPolarHBondContact O-CB 3.33Å; F319-V322 PolarHBondContact O-N 3.4Å; F319-V322 VanDerWaalsContact O-N 3.08Å; F319-S323 PolarHBondContact O-N 3.5Å |
| 320 | A | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.7 | -37.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y272 V316 N317 V322 S323 H324 M358 | Y272-A320 WeakPolarHBondContact OH-CB 3.43Å; V316-A320 PolarHBondContact O-N 3.2Å; N317-A320 WeakPolarHBondContact O-CB 3.43Å; N317-A320 PolarHBondContact O-N 3.02Å; A320-V322 VanDerWaalsContact C-N 3.34Å; A320-V322 PolarHBondContact O-N 3.24Å; A320-S323 WeakPolarHBondContact O-CB 3.35Å; A320-S323 PolarHBondContact O-N 3.08Å; A320-H324 PolarHBondContact O-CD2 2.91Å; A320-H324 VanDerWaalsContact O-CD2 3.25Å; A320-H324 PolarHBondContact O-N 3.3Å; A320-M358 HydrophobicContact CB-CE 3.6Å; A320-M358 HydrophobicContact CB-SD 4.3Å |
| 321 | L | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -58.1 | -45.6 | 169.2 | -73.3 | 173.5 | 0 | 0 | 0 | 112 | L204 Y208 N317 C318 F319 S323 H324 L325 Y355 M358 K359 L362 | L204-L321 HydrophobicContact CD1-CB 4.09Å; L204-L321 HydrophobicContact CD2-CB 4.02Å; L204-L321 HydrophobicContact CD2-CD1 3.66Å; L204-L321 HydrophobicContact CD2-CG 4.49Å; Y208-L321 HydrophobicContact CE2-CD1 4.44Å; N317-L321 PolarHBondContact O-N 3Å; C318-L321 WeakPolarHBondContact O-CB 3.39Å; C318-L321 PolarHBondContact O-N 3.29Å; F319-L321 VanDerWaalsContact C-N 3.29Å; F319-L321 PolarHBondContact O-N 3.41Å; L321-S323 VanDerWaalsContact C-N 3.33Å; L321-S323 PolarHBondContact O-N 3.22Å; L321-H324 PolarHBondContact O-N 2.91Å; L321-L325 PolarHBondContact O-N 3.03Å; L321-Y355 HydrophobicContact CB-CD2 4.17Å; L321-Y355 HydrophobicContact CB-CE2 4Å; L321-Y355 HydrophobicContact CD2-CD2 3.64Å; L321-Y355 HydrophobicContact CD2-CE2 3.78Å; L321-Y355 HydrophobicContact CD2-CG 4.46Å; L321-Y355 WeakPolarHBondContact CD2-O 3.32Å; L321-Y355 HydrophobicContact CG-CE2 4.42Å; L321-Y355 WeakPolarHBondContact O-CD2 3.36Å; L321-M358 HydrophobicContact CD2-CB 3.41Å; L321-M358 VanDerWaalsContact CD2-CB 3.41Å; L321-M358 HydrophobicContact CG-CB 4.26Å; L321-K359 HydrophobicContact CD2-CB 4.25Å; L321-L362 HydrophobicContact CD1-CD1 3.96Å; L321-L362 HydrophobicContact CD1-CD2 4.3Å; L321-L362 HydrophobicContact CG-CD1 4.07Å |
| 322 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -63 | -40.4 | 177.6 | -176.8 | 0 | 0 | 0 | 0 | 111 | L162 I166 L204 L209 Y252 C318 F319 A320 H324 L325 L326 | L162-V322 HydrophobicContact CD1-CG1 4.15Å; L162-V322 HydrophobicContact CD2-CG1 4.05Å; L162-V322 HydrophobicContact CG-CG1 4.25Å; I166-V322 HydrophobicContact CD1-CG1 4.26Å; L204-V322 HydrophobicContact CB-CG2 4.24Å; L204-V322 HydrophobicContact CD1-CG2 3.97Å; L209-V322 HydrophobicContact CD1-CG2 3.64Å; Y252-V322 HydrophobicContact CE2-CG1 4.42Å; C318-V322 PolarHBondContact O-N 2.6Å; F319-V322 HydrophobicContact CD1-CG2 4.48Å; F319-V322 CarbonylContact O-C 3.58Å; F319-V322 WeakPolarHBondContact O-CA 3.5Å; F319-V322 WeakPolarHBondContact O-CB 3.33Å; F319-V322 PolarHBondContact O-N 3.4Å; F319-V322 VanDerWaalsContact O-N 3.08Å; A320-V322 VanDerWaalsContact C-N 3.34Å; A320-V322 PolarHBondContact O-N 3.24Å; V322-H324 PolarHBondContact O-N 2.86Å; V322-L325 PolarHBondContact O-N 2.76Å; V322-L326 WeakPolarHBondContact O-CB 3.2Å; V322-L326 PolarHBondContact O-N 3.33Å |
| 323 | S | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -58.5 | -46.4 | 175 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | N256 F319 A320 L321 L325 L326 W327 R351 | N256-S323 PolarHBondContact OD1-OG 2.86Å; F319-S323 PolarHBondContact O-N 3.5Å; A320-S323 WeakPolarHBondContact O-CB 3.35Å; A320-S323 PolarHBondContact O-N 3.08Å; L321-S323 VanDerWaalsContact C-N 3.33Å; L321-S323 PolarHBondContact O-N 3.22Å; S323-L325 PolarHBondContact O-N 3.01Å; S323-L326 PolarHBondContact O-N 3.32Å; S323-W327 PolarHBondContact O-N 3.41Å; S323-R351 PolarHBondContact O-NH2 3.11Å; S323-R351 PolarHBondContact OG-NH2 3.29Å |
| 324 | H | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -58.7 | -44.5 | 176.1 | -72.2 | -57 | 0 | 0 | 0 | 113 | A320 L321 V322 A328 R351 Q354 Y355 M358 | A320-H324 PolarHBondContact O-CD2 2.91Å; A320-H324 VanDerWaalsContact O-CD2 3.25Å; A320-H324 PolarHBondContact O-N 3.3Å; L321-H324 PolarHBondContact O-N 2.91Å; V322-H324 PolarHBondContact O-N 2.86Å; H324-A328 WeakPolarHBondContact O-CB 3.36Å; H324-A328 PolarHBondContact O-N 3.12Å; H324-R351 PolarHBondContact ND1-NE 2.83Å; H324-Q354 WeakPolarHBondContact CE1-CB 3.42Å; H324-Y355 HydrophobicContact CB-CD2 4.47Å; H324-M358 VanDerWaalsContact CD2-SD 3.54Å; H324-M358 PolarHBondContact NE2-SD 2.89Å |
| 325 | L | 97.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 3.2 Ų | 3.2 | 1% | 0.005 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -63.7 | -46.7 | 176 | -65.4 | 177 | 0 | 0 | 0 | 111.8 | I166 V197 E200 V201 L204 L321 V322 S323 W327 A328 V329 M352 Y355 | I166-L325 HydrophobicContact CD1-CB 4.22Å; V197-L325 HydrophobicContact CG1-CD2 4.48Å; E200-L325 HydrophobicContact CB-CD1 3.97Å; V201-L325 HydrophobicContact CG2-CB 4.31Å; V201-L325 HydrophobicContact CG2-CD1 3.68Å; L204-L325 HydrophobicContact CD1-CD1 3.63Å; L321-L325 PolarHBondContact O-N 3.03Å; V322-L325 PolarHBondContact O-N 2.76Å; S323-L325 PolarHBondContact O-N 3.01Å; L325-W327 PolarHBondContact O-N 3.24Å; L325-A328 PolarHBondContact O-N 3.36Å; L325-V329 WeakPolarHBondContact O-CB 3.17Å; L325-V329 WeakPolarHBondContact O-CG2 3.26Å; L325-V329 PolarHBondContact O-N 2.82Å; L325-M352 HydrophobicContact CD2-CE 4.16Å; L325-M352 HydrophobicContact CD2-SD 3.98Å; L325-Y355 HydrophobicContact CD1-CD2 4.16Å; L325-Y355 HydrophobicContact CD1-CE2 3.6Å; L325-Y355 HydrophobicContact CD2-CD1 3.98Å; L325-Y355 HydrophobicContact CD2-CD2 3.72Å; L325-Y355 HydrophobicContact CD2-CE1 4.07Å; L325-Y355 HydrophobicContact CD2-CE2 3.81Å; L325-Y355 HydrophobicContact CD2-CG 3.81Å; L325-Y355 HydrophobicContact CG-CD2 3.62Å; L325-Y355 HydrophobicContact CG-CE2 3.6Å; L325-Y355 HydrophobicContact CG-CG 4.22Å |
| 326 | L | 97.6 | Very high | 95.9 | Very high | 8 Ų | 8 | 4 Ų | 4 | 4% | 0.042 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -57.4 | -48.6 | -179.1 | -177.5 | 142.1 | 0 | 0 | 0 | 111.8 | L162 I166 W169 V322 S323 V329 W330 | L162-L326 HydrophobicContact CD1-CD1 3.69Å; I166-L326 HydrophobicContact CB-CD1 4.36Å; I166-L326 HydrophobicContact CD1-CB 3.95Å; I166-L326 HydrophobicContact CG1-CB 4.41Å; W169-L326 HydrophobicContact CE3-CD2 4.31Å; W169-L326 HydrophobicContact CE3-CG 4.06Å; W169-L326 HydrophobicContact CH2-CD2 4.13Å; W169-L326 HydrophobicContact CZ3-CD1 4.39Å; W169-L326 HydrophobicContact CZ3-CD2 3.47Å; W169-L326 VanDerWaalsContact CZ3-CD2 3.47Å; W169-L326 HydrophobicContact CZ3-CG 3.71Å; V322-L326 WeakPolarHBondContact O-CB 3.2Å; V322-L326 PolarHBondContact O-N 3.33Å; S323-L326 PolarHBondContact O-N 3.32Å; L326-V329 PolarHBondContact O-N 2.9Å; L326-W330 WeakPolarHBondContact O-CB 3.43Å; L326-W330 PolarHBondContact O-N 3.48Å |
| 327 | W | 96.6 | Very high | 95.4 | Very high | 8 Ų | 8 | 7.4 Ų | 7.4 | 3% | 0.03 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -78.2 | -25 | -177.9 | -68.2 | 114.7 | 0 | 0 | 0 | 113.6 | D222 Y244 N256 S323 L325 W330 A331 Y347 R351 | D222-W327 HydrophobicContact CB-CH2 3.95Å; D222-W327 HydrophobicContact CB-CZ2 3.87Å; Y244-W327 HydrophobicContact CD1-CH2 4.33Å; Y244-W327 AromaticContact CD2-CH2 3.95Å; Y244-W327 HydrophobicContact CD2-CH2 3.95Å; Y244-W327 HydrophobicContact CE1-CH2 4.27Å; Y244-W327 HydrophobicContact CE1-CZ3 4.41Å; Y244-W327 AromaticContact CE2-CH2 3.88Å; Y244-W327 HydrophobicContact CE2-CH2 3.88Å; Y244-W327 HydrophobicContact CE2-CZ3 4.29Å; Y244-W327 HydrophobicContact CG-CH2 4.17Å; N256-W327 PolarHBondContact OD1-NE1 3.2Å; S323-W327 PolarHBondContact O-N 3.41Å; L325-W327 PolarHBondContact O-N 3.24Å; W327-W330 HydrophobicContact CE3-CB 3.97Å; W327-W330 AromaticContact CE3-CD2 3.93Å; W327-W330 HydrophobicContact CE3-CD2 3.93Å; W327-W330 HydrophobicContact CE3-CE3 4.21Å; W327-W330 AromaticContact CE3-CG 3.79Å; W327-W330 HydrophobicContact CE3-CG 3.79Å; W327-W330 AromaticContact CZ3-CD1 3.94Å; W327-W330 HydrophobicContact CZ3-CD2 4.12Å; W327-W330 AromaticContact CZ3-CG 3.98Å; W327-W330 HydrophobicContact CZ3-CG 3.98Å; W327-A331 WeakPolarHBondContact O-CB 3.38Å; W327-A331 PolarHBondContact O-N 3.2Å; W327-A331 VanDerWaalsContact O-N 3.09Å; W327-Y347 HydrophobicContact CB-CE1 4.16Å; W327-R351 HydrophobicContact CB-CG 4.45Å; W327-R351 VanDerWaalsContact CD1-NH2 3.3Å |
| 328 | A | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.7 | -45.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | F191 H324 L325 A331 V332 R351 M352 | F191-A328 HydrophobicContact CD2-CB 4.5Å; F191-A328 HydrophobicContact CE2-CB 3.82Å; H324-A328 WeakPolarHBondContact O-CB 3.36Å; H324-A328 PolarHBondContact O-N 3.12Å; L325-A328 PolarHBondContact O-N 3.36Å; A328-A331 PolarHBondContact O-N 3.48Å; A328-V332 WeakPolarHBondContact O-CG2 3.46Å; A328-V332 PolarHBondContact O-N 3.08Å; A328-V332 VanDerWaalsContact O-N 3.07Å; A328-R351 HydrophobicContact CB-CB 3.82Å; A328-M352 HydrophobicContact CB-CG 3.97Å; A328-M352 HydrophobicContact CB-SD 3.84Å |
| 329 | V | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.7 | -48.6 | 174.5 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | W169 I170 L173 F191 V197 L325 L326 A331 V332 I333 | W169-V329 HydrophobicContact CB-CG1 3.73Å; I170-V329 HydrophobicContact CG1-CG1 4.22Å; I170-V329 HydrophobicContact CG1-CG2 3.88Å; L173-V329 HydrophobicContact CD1-CG1 4.28Å; L173-V329 HydrophobicContact CD1-CG2 4.28Å; L173-V329 HydrophobicContact CD2-CG1 4.09Å; L173-V329 HydrophobicContact CG-CG1 4.14Å; F191-V329 HydrophobicContact CZ-CG2 4.21Å; V197-V329 HydrophobicContact CG1-CG2 3.69Å; L325-V329 WeakPolarHBondContact O-CB 3.17Å; L325-V329 WeakPolarHBondContact O-CG2 3.26Å; L325-V329 PolarHBondContact O-N 2.82Å; L326-V329 PolarHBondContact O-N 2.9Å; V329-A331 VanDerWaalsContact C-N 3.28Å; V329-A331 PolarHBondContact O-N 2.9Å; V329-V332 PolarHBondContact O-N 3.49Å; V329-I333 HydrophobicContact CG1-CD1 3.95Å; V329-I333 WeakPolarHBondContact O-CG1 3.22Å; V329-I333 PolarHBondContact O-N 3.31Å |
| 330 | W | 94.6 | Very high | 92.9 | Very high | 18 Ų | 18 | 25.9 Ų | 25.9 | 7% | 0.068 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -51.1 | -48.5 | 175.6 | 172.8 | 92.8 | 0 | 0 | 0 | 111.8 | L70 L74 W169 Y244 L326 W327 I333 C334 F344 Y347 | L70-W330 HydrophobicContact CD2-CZ2 4.33Å; L74-W330 HydrophobicContact CD1-CG 4.35Å; W169-W330 HydrophobicContact CE3-CB 4.15Å; W169-W330 HydrophobicContact CZ3-CB 3.82Å; W169-W330 HydrophobicContact CZ3-CG 4.32Å; Y244-W330 PolarHBondContact OH-NE1 2.93Å; L326-W330 WeakPolarHBondContact O-CB 3.43Å; L326-W330 PolarHBondContact O-N 3.48Å; W327-W330 HydrophobicContact CE3-CB 3.97Å; W327-W330 AromaticContact CE3-CD2 3.93Å; W327-W330 HydrophobicContact CE3-CD2 3.93Å; W327-W330 HydrophobicContact CE3-CE3 4.21Å; W327-W330 AromaticContact CE3-CG 3.79Å; W327-W330 HydrophobicContact CE3-CG 3.79Å; W327-W330 AromaticContact CZ3-CD1 3.94Å; W327-W330 HydrophobicContact CZ3-CD2 4.12Å; W327-W330 AromaticContact CZ3-CG 3.98Å; W327-W330 HydrophobicContact CZ3-CG 3.98Å; W330-I333 PolarHBondContact O-N 3.3Å; W330-C334 PolarHBondContact O-N 3.34Å; W330-C334 PolarHBondContact O-SG 3.07Å; W330-C334 VanDerWaalsContact O-SG 3.37Å; W330-F344 HydrophobicContact CH2-CD1 4.13Å; W330-F344 AromaticContact CH2-CE1 3.55Å; W330-F344 HydrophobicContact CH2-CE1 3.55Å; W330-F344 HydrophobicContact CZ2-CE1 4.28Å; W330-F344 AromaticContact CZ3-CD1 3.92Å; W330-F344 HydrophobicContact CZ3-CD1 3.92Å; W330-F344 AromaticContact CZ3-CE1 3.83Å; W330-F344 HydrophobicContact CZ3-CE1 3.83Å; W330-Y347 HydrophobicContact CE3-CE1 4.39Å; W330-Y347 HydrophobicContact CZ3-CE1 4.36Å |
| 331 | A | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.2 | -38.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | W327 A328 V329 I333 C334 A335 F344 Y347 A348 | W327-A331 WeakPolarHBondContact O-CB 3.38Å; W327-A331 PolarHBondContact O-N 3.2Å; W327-A331 VanDerWaalsContact O-N 3.09Å; A328-A331 PolarHBondContact O-N 3.48Å; V329-A331 VanDerWaalsContact C-N 3.28Å; V329-A331 PolarHBondContact O-N 2.9Å; A331-I333 VanDerWaalsContact C-N 3.34Å; A331-I333 PolarHBondContact O-N 3.35Å; A331-C334 PolarHBondContact O-N 2.72Å; A331-A335 WeakPolarHBondContact O-CB 3.24Å; A331-A335 PolarHBondContact O-N 2.93Å; A331-F344 HydrophobicContact CB-CB 4.41Å; A331-F344 HydrophobicContact CB-CD1 4.42Å; A331-F344 WeakPolarHBondContact CB-O 3.31Å; A331-F344 WeakPolarHBondContact O-CB 3.3Å; A331-Y347 HydrophobicContact CB-CD1 3.61Å; A331-Y347 HydrophobicContact CB-CE1 4.37Å; A331-A348 HydrophobicContact CB-CB 4.03Å |
| 332 | V | 93.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.1 | -40.5 | 175.1 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | L173 F177 I178 F191 A328 V329 A335 S336 A348 | L173-V332 HydrophobicContact CD2-CB 3.82Å; L173-V332 HydrophobicContact CD2-CG1 3.64Å; F177-V332 HydrophobicContact CD1-CG1 4.2Å; F177-V332 HydrophobicContact CE1-CG1 4.24Å; I178-V332 HydrophobicContact CD1-CG1 4.5Å; I178-V332 HydrophobicContact CG1-CG1 3.92Å; F191-V332 HydrophobicContact CB-CG2 4.31Å; F191-V332 HydrophobicContact CD1-CG1 4.45Å; F191-V332 HydrophobicContact CD1-CG2 3.84Å; F191-V332 HydrophobicContact CD2-CG2 3.5Å; F191-V332 HydrophobicContact CE1-CB 4.44Å; F191-V332 HydrophobicContact CE1-CG1 4.43Å; F191-V332 HydrophobicContact CE1-CG2 3.96Å; F191-V332 HydrophobicContact CE2-CG2 3.63Å; F191-V332 HydrophobicContact CG-CG2 3.61Å; F191-V332 HydrophobicContact CZ-CB 4.41Å; F191-V332 HydrophobicContact CZ-CG2 3.85Å; A328-V332 WeakPolarHBondContact O-CG2 3.46Å; A328-V332 PolarHBondContact O-N 3.08Å; A328-V332 VanDerWaalsContact O-N 3.07Å; V329-V332 PolarHBondContact O-N 3.49Å; V332-A335 PolarHBondContact O-N 2.86Å; V332-S336 PolarHBondContact O-N 2.78Å; V332-A348 HydrophobicContact CG2-CB 3.71Å |
| 333 | I | 92.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.3 | -50 | 173.6 | -63.9 | 167.2 | 0 | 0 | 0 | 109.6 | L74 W169 R172 L173 V329 W330 A331 A335 S336 E337 | L74-I333 HydrophobicContact CD1-CB 4.45Å; L74-I333 HydrophobicContact CD1-CG2 4.11Å; L74-I333 HydrophobicContact CD2-CD1 3.9Å; L74-I333 HydrophobicContact CD2-CG2 4.35Å; L74-I333 HydrophobicContact CG-CG2 4.44Å; W169-I333 HydrophobicContact CB-CD1 3.93Å; W169-I333 HydrophobicContact CG-CD1 4.45Å; W169-I333 WeakPolarHBondContact O-CD1 3.36Å; R172-I333 HydrophobicContact CB-CD1 4.16Å; L173-I333 HydrophobicContact CD2-CG1 3.99Å; V329-I333 HydrophobicContact CG1-CD1 3.95Å; V329-I333 WeakPolarHBondContact O-CG1 3.22Å; V329-I333 PolarHBondContact O-N 3.31Å; W330-I333 PolarHBondContact O-N 3.3Å; A331-I333 VanDerWaalsContact C-N 3.34Å; A331-I333 PolarHBondContact O-N 3.35Å; I333-A335 VanDerWaalsContact C-N 3.28Å; I333-A335 PolarHBondContact O-N 3.49Å; I333-S336 PolarHBondContact O-N 2.84Å; I333-S336 VanDerWaalsContact O-N 3.12Å; I333-S336 PolarHBondContact O-OG 2.85Å; I333-E337 WeakPolarHBondContact O-CG 3.49Å; I333-E337 PolarHBondContact O-N 3.38Å |
| 334 | C | 90.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.7 | -39.5 | 178.4 | -70 | 0 | 0 | 0 | 0 | 113 | W330 A331 E337 L339 F344 | W330-C334 PolarHBondContact O-N 3.34Å; W330-C334 PolarHBondContact O-SG 3.07Å; W330-C334 VanDerWaalsContact O-SG 3.37Å; A331-C334 PolarHBondContact O-N 2.72Å; C334-E337 PolarHBondContact O-N 3.03Å; C334-L339 HydrophobicContact CB-CB 4.5Å; C334-L339 HydrophobicContact CB-CD1 3.69Å; C334-L339 WeakPolarHBondContact O-CB 3.48Å; C334-L339 PolarHBondContact O-N 3.32Å; C334-F344 HydrophobicContact CB-CD1 3.46Å; C334-F344 VanDerWaalsContact CB-CD1 3.46Å; C334-F344 HydrophobicContact CB-CD2 4.15Å; C334-F344 HydrophobicContact CB-CE1 3.49Å; C334-F344 VanDerWaalsContact CB-CE1 3.49Å; C334-F344 HydrophobicContact CB-CE2 4.2Å; C334-F344 HydrophobicContact CB-CG 3.8Å; C334-F344 HydrophobicContact CB-CZ 3.88Å |
| 335 | A | 90.9 | Very high | 90.5 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 11% | 0.107 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | F177 A331 V332 I333 E337 N338 F344 L345 | F177-A335 HydrophobicContact CE1-CB 3.83Å; F177-A335 HydrophobicContact CZ-CB 3.65Å; A331-A335 WeakPolarHBondContact O-CB 3.24Å; A331-A335 PolarHBondContact O-N 2.93Å; V332-A335 PolarHBondContact O-N 2.86Å; I333-A335 VanDerWaalsContact C-N 3.28Å; I333-A335 PolarHBondContact O-N 3.49Å; A335-E337 VanDerWaalsContact C-N 3.25Å; A335-E337 PolarHBondContact O-N 2.92Å; A335-N338 PolarHBondContact O-N 2.97Å; A335-N338 VanDerWaalsContact O-N 3.08Å; A335-F344 HydrophobicContact CB-CB 3.84Å; A335-L345 HydrophobicContact CB-CD2 3.85Å; A335-L345 HydrophobicContact CB-CG 3.85Å |
| 336 | S | 90.5 | Very high | 90.2 | Very high | 31 Ų | 31 | 35.4 Ų | 35.4 | 22% | 0.217 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -30.1 | 178.4 | 73.9 | 0 | 0 | 0 | 0 | 112.7 | V332 I333 N338 | V332-S336 PolarHBondContact O-N 2.78Å; I333-S336 PolarHBondContact O-N 2.84Å; I333-S336 VanDerWaalsContact O-N 3.12Å; I333-S336 PolarHBondContact O-OG 2.85Å; S336-N338 PolarHBondContact O-N 2.86Å |
| 337 | E | 88.2 | Confident | 90 | Very high | 72 Ų | 72 | 35.9 Ų | 35.9 | 34% | 0.336 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 11.1 | 175.6 | -66.4 | 179.3 | 169.8 | 0 | 0 | 112.9 | S73 R172 I333 C334 A335 L339 | S73-E337 PolarHBondContact OG-OE1 3.27Å; S73-E337 PolarHBondContact OG-OE2 3.44Å; R172-E337 IonicContact CZ-OE1 3.24Å; R172-E337 IonicContact NH2-OE1 3.63Å; R172-E337 PolarHBondContact NH2-OE1 3.04Å; I333-E337 WeakPolarHBondContact O-CG 3.49Å; I333-E337 PolarHBondContact O-N 3.38Å; C334-E337 PolarHBondContact O-N 3.03Å; A335-E337 VanDerWaalsContact C-N 3.25Å; A335-E337 PolarHBondContact O-N 2.92Å; E337-L339 VanDerWaalsContact C-N 3.25Å; E337-L339 HydrophobicContact CB-CD1 4.38Å; E337-L339 HydrophobicContact CB-CG 4.31Å; E337-L339 PolarHBondContact O-N 2.96Å |
| 338 | N | 84.4 | Confident | 89.9 | Confident | 125 Ų | 125 | 35.5 Ų | 35.5 | 67% | 0.668 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 29.3 | 179.1 | -69.7 | -73.3 | 0 | 0 | 0 | 114.7 | A335 S336 R340 | A335-N338 PolarHBondContact O-N 2.97Å; A335-N338 VanDerWaalsContact O-N 3.08Å; S336-N338 PolarHBondContact O-N 2.86Å; N338-R340 WeakPolarHBondContact O-CG 3.5Å |
| 339 | L | 82.2 | Confident | 89.7 | Confident | 39 Ų | 39 | 36.3 Ų | 36.3 | 20% | 0.204 | 19% | 0.185 | C | C | . | . | trans | -70.9 | 138.6 | 175.2 | -61.9 | 167.8 | 0 | 0 | 0 | 110.1 | L70 C334 E337 F344 | L70-L339 HydrophobicContact CB-CD1 4.35Å; L70-L339 HydrophobicContact CD1-CB 4.45Å; L70-L339 HydrophobicContact CD1-CD1 3.31Å; L70-L339 HydrophobicContact CD1-CD2 4.23Å; L70-L339 HydrophobicContact CD1-CG 4.18Å; L70-L339 HydrophobicContact CG-CD1 3.65Å; C334-L339 HydrophobicContact CB-CB 4.5Å; C334-L339 HydrophobicContact CB-CD1 3.69Å; C334-L339 WeakPolarHBondContact O-CB 3.48Å; C334-L339 PolarHBondContact O-N 3.32Å; E337-L339 VanDerWaalsContact C-N 3.25Å; E337-L339 HydrophobicContact CB-CD1 4.38Å; E337-L339 HydrophobicContact CB-CG 4.31Å; E337-L339 PolarHBondContact O-N 2.96Å; L339-F344 HydrophobicContact CB-CD2 4.19Å; L339-F344 HydrophobicContact CB-CE2 3.45Å; L339-F344 VanDerWaalsContact CB-CE2 3.45Å; L339-F344 HydrophobicContact CB-CZ 3.95Å; L339-F344 WeakPolarHBondContact O-CD2 3.47Å; L339-F344 WeakPolarHBondContact O-CE2 3.39Å | ||
| 340 | R | 76.1 | Confident | 89.5 | Confident | 225 Ų | 225 | 36.7 Ų | 36.7 | 85% | 0.849 | 19% | 0.188 | S | C | * | . | trans | -121 | 9.7 | -168.6 | -59.1 | -171.2 | 179.6 | -178.4 | -1.5 | 115.1 | N338 M342 | N338-R340 WeakPolarHBondContact O-CG 3.5Å; R340-M342 PolarHBondContact O-N 3.1Å | ||
| 341 | S | 79.1 | Confident | 89.6 | Confident | 59 Ų | 59 | 35.9 Ų | 35.9 | 41% | 0.413 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -71 | -20.1 | -175.7 | 63.8 | 0 | 0 | 0 | 0 | 113.5 | Y47 F344 | Y47-S341 WeakPolarHBondContact CD1-OG 3.43Å; S341-F344 VanDerWaalsContact OG-CZ 3.3Å; S341-F344 WeakPolarHBondContact OG-CZ 3.48Å |
| 342 | M | 86.3 | Confident | 89.7 | Confident | 25 Ų | 25 | 35.9 Ų | 35.9 | 12% | 0.123 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -157.8 | 172.9 | 173.1 | 59.8 | -178.3 | -75.8 | 0 | 0 | 110.2 | Y47 Y265 R340 F344 Y347 | Y47-M342 HydrophobicContact CD2-SD 4.17Å; Y47-M342 HydrophobicContact CE1-CB 4.33Å; Y47-M342 HydrophobicContact CE1-CG 4.48Å; Y47-M342 HydrophobicContact CE1-SD 4.32Å; Y47-M342 HydrophobicContact CE2-SD 3.62Å; Y265-M342 HydrophobicContact CD1-CE 3.96Å; Y265-M342 HydrophobicContact CE1-CE 4.07Å; R340-M342 PolarHBondContact O-N 3.1Å; M342-F344 VanDerWaalsContact C-N 3.33Å; M342-F344 HydrophobicContact CG-CD1 3.87Å; M342-F344 HydrophobicContact CG-CD2 4.16Å; M342-F344 HydrophobicContact CG-CE1 3.75Å; M342-F344 HydrophobicContact CG-CE2 4.03Å; M342-F344 HydrophobicContact CG-CG 4.08Å; M342-F344 HydrophobicContact CG-CZ 3.84Å; M342-F344 VanDerWaalsContact O-CD2 3.32Å; M342-F344 WeakPolarHBondContact O-CD2 3.45Å; M342-F344 PolarHBondContact O-N 2.96Å; M342-F344 HydrophobicContact SD-CD1 4.24Å; M342-F344 HydrophobicContact SD-CE1 4.08Å; M342-Y347 VanDerWaalsContact CE-CB 3.49Å; M342-Y347 HydrophobicContact CE-CD2 3.69Å; M342-Y347 HydrophobicContact CE-CG 3.7Å |
| 343 | D | 90.1 | Very high | 89.6 | Confident | 56 Ų | 56 | 38.9 Ų | 38.9 | 30% | 0.299 | 20% | 0.198 | S | C | . | . | trans | -78.5 | 84.3 | 170 | -168.4 | -22.6 | 0 | 0 | 0 | 109.4 | K186 Y187 L345 A346 Y347 | K186-D343 IonicContact NZ-OD2 2.66Å; K186-D343 PolarHBondContact NZ-OD2 3.14Å; Y187-D343 VanDerWaalsContact OH-CG 3.31Å; Y187-D343 PolarHBondContact OH-OD1 3.05Å; Y187-D343 PolarHBondContact OH-OD2 3.21Å; D343-L345 VanDerWaalsContact C-N 3.28Å; D343-L345 PolarHBondContact O-N 3.31Å; D343-A346 HydrophobicContact CB-CB 3.84Å; D343-A346 VanDerWaalsContact CG-CB 3.43Å; D343-A346 WeakPolarHBondContact O-CB 3.2Å; D343-A346 PolarHBondContact O-N 2.9Å; D343-A346 PolarHBondContact OD1-N 3.31Å; D343-Y347 PolarHBondContact O-N 2.88Å; D343-Y347 VanDerWaalsContact O-N 3.08Å | ||
| 344 | F | 91 | Very high | 89.7 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 2% | 0.022 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.3 | -34.1 | -177.1 | -71.2 | -78.4 | 0 | 0 | 0 | 113 | L70 W330 A331 C334 A335 L339 S341 M342 Y347 A348 | L70-F344 HydrophobicContact CD1-CZ 4.21Å; W330-F344 HydrophobicContact CH2-CD1 4.13Å; W330-F344 AromaticContact CH2-CE1 3.55Å; W330-F344 HydrophobicContact CH2-CE1 3.55Å; W330-F344 HydrophobicContact CZ2-CE1 4.28Å; W330-F344 AromaticContact CZ3-CD1 3.92Å; W330-F344 HydrophobicContact CZ3-CD1 3.92Å; W330-F344 AromaticContact CZ3-CE1 3.83Å; W330-F344 HydrophobicContact CZ3-CE1 3.83Å; A331-F344 HydrophobicContact CB-CB 4.41Å; A331-F344 HydrophobicContact CB-CD1 4.42Å; A331-F344 WeakPolarHBondContact CB-O 3.31Å; A331-F344 WeakPolarHBondContact O-CB 3.3Å; C334-F344 HydrophobicContact CB-CD1 3.46Å; C334-F344 VanDerWaalsContact CB-CD1 3.46Å; C334-F344 HydrophobicContact CB-CD2 4.15Å; C334-F344 HydrophobicContact CB-CE1 3.49Å; C334-F344 VanDerWaalsContact CB-CE1 3.49Å; C334-F344 HydrophobicContact CB-CE2 4.2Å; C334-F344 HydrophobicContact CB-CG 3.8Å; C334-F344 HydrophobicContact CB-CZ 3.88Å; A335-F344 HydrophobicContact CB-CB 3.84Å; L339-F344 HydrophobicContact CB-CD2 4.19Å; L339-F344 HydrophobicContact CB-CE2 3.45Å; L339-F344 VanDerWaalsContact CB-CE2 3.45Å; L339-F344 HydrophobicContact CB-CZ 3.95Å; L339-F344 WeakPolarHBondContact O-CD2 3.47Å; L339-F344 WeakPolarHBondContact O-CE2 3.39Å; S341-F344 VanDerWaalsContact OG-CZ 3.3Å; S341-F344 WeakPolarHBondContact OG-CZ 3.48Å; M342-F344 VanDerWaalsContact C-N 3.33Å; M342-F344 HydrophobicContact CG-CD1 3.87Å; M342-F344 HydrophobicContact CG-CD2 4.16Å; M342-F344 HydrophobicContact CG-CE1 3.75Å; M342-F344 HydrophobicContact CG-CE2 4.03Å; M342-F344 HydrophobicContact CG-CG 4.08Å; M342-F344 HydrophobicContact CG-CZ 3.84Å; M342-F344 VanDerWaalsContact O-CD2 3.32Å; M342-F344 WeakPolarHBondContact O-CD2 3.45Å; M342-F344 PolarHBondContact O-N 2.96Å; M342-F344 HydrophobicContact SD-CD1 4.24Å; M342-F344 HydrophobicContact SD-CE1 4.08Å; F344-Y347 PolarHBondContact O-N 3.21Å; F344-A348 PolarHBondContact O-N 2.99Å |
| 345 | L | 91.8 | Very high | 90 | Very high | 21 Ų | 21 | 39 Ų | 39 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.8 | -39.5 | 175.8 | -70.6 | 178.1 | 0 | 0 | 0 | 111.7 | F177 I184 Y187 A335 D343 Y347 A348 D349 | F177-L345 HydrophobicContact CE1-CD2 3.99Å; F177-L345 HydrophobicContact CZ-CD1 4.36Å; F177-L345 HydrophobicContact CZ-CD2 4.26Å; I184-L345 HydrophobicContact CD1-CD1 3.98Å; Y187-L345 HydrophobicContact CD2-CB 4.18Å; Y187-L345 HydrophobicContact CE1-CB 4.09Å; Y187-L345 HydrophobicContact CE2-CB 3.61Å; Y187-L345 HydrophobicContact CE2-CD1 3.79Å; Y187-L345 HydrophobicContact CE2-CG 4.37Å; A335-L345 HydrophobicContact CB-CD2 3.85Å; A335-L345 HydrophobicContact CB-CG 3.85Å; D343-L345 VanDerWaalsContact C-N 3.28Å; D343-L345 PolarHBondContact O-N 3.31Å; L345-Y347 VanDerWaalsContact C-N 3.26Å; L345-Y347 PolarHBondContact O-N 2.88Å; L345-A348 PolarHBondContact O-N 3.3Å; L345-D349 WeakPolarHBondContact O-CB 3.27Å; L345-D349 PolarHBondContact O-N 2.85Å |
| 346 | A | 91.5 | Very high | 90.1 | Very high | 36 Ų | 36 | 41.4 Ų | 41.4 | 30% | 0.298 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.3 | -39.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y187 D343 S350 | Y187-A346 HydrophobicContact CD1-CB 4.35Å; Y187-A346 HydrophobicContact CE1-CB 3.82Å; D343-A346 HydrophobicContact CB-CB 3.84Å; D343-A346 VanDerWaalsContact CG-CB 3.43Å; D343-A346 WeakPolarHBondContact O-CB 3.2Å; D343-A346 PolarHBondContact O-N 2.9Å; D343-A346 PolarHBondContact OD1-N 3.31Å; A346-S350 WeakPolarHBondContact O-CB 3.41Å; A346-S350 PolarHBondContact O-N 3.21Å |
| 347 | Y | 93.1 | Very high | 90.2 | Very high | 17 Ų | 17 | 43.4 Ų | 43.4 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.6 | -45.2 | 176.4 | -176.3 | -94 | 0 | 0 | 0 | 111.9 | P264 A266 W327 W330 A331 M342 D343 F344 L345 D349 S350 R351 | P264-Y347 VanDerWaalsContact O-CE2 3.3Å; P264-Y347 WeakPolarHBondContact O-CE2 3.29Å; A266-Y347 HydrophobicContact CB-CE2 4.44Å; W327-Y347 HydrophobicContact CB-CE1 4.16Å; W330-Y347 HydrophobicContact CE3-CE1 4.39Å; W330-Y347 HydrophobicContact CZ3-CE1 4.36Å; A331-Y347 HydrophobicContact CB-CD1 3.61Å; A331-Y347 HydrophobicContact CB-CE1 4.37Å; M342-Y347 VanDerWaalsContact CE-CB 3.49Å; M342-Y347 HydrophobicContact CE-CD2 3.69Å; M342-Y347 HydrophobicContact CE-CG 3.7Å; D343-Y347 PolarHBondContact O-N 2.88Å; D343-Y347 VanDerWaalsContact O-N 3.08Å; F344-Y347 PolarHBondContact O-N 3.21Å; L345-Y347 VanDerWaalsContact C-N 3.26Å; L345-Y347 PolarHBondContact O-N 2.88Å; Y347-D349 PolarHBondContact O-N 2.66Å; Y347-S350 WeakPolarHBondContact O-CB 3.23Å; Y347-S350 PolarHBondContact O-N 2.88Å; Y347-R351 HydrophobicContact CD1-CG 3.86Å; Y347-R351 HydrophobicContact CE1-CG 3.56Å; Y347-R351 HydrophobicContact CE2-CG 4.47Å; Y347-R351 HydrophobicContact CG-CG 4.48Å; Y347-R351 WeakPolarHBondContact O-CG 3.28Å; Y347-R351 PolarHBondContact O-N 2.97Å; Y347-R351 PolarHBondContact OH-NH1 2.8Å |
| 348 | A | 94.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.7 | -45.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | F191 A331 V332 F344 L345 S350 R351 M352 | F191-A348 HydrophobicContact CD2-CB 4.25Å; A331-A348 HydrophobicContact CB-CB 4.03Å; V332-A348 HydrophobicContact CG2-CB 3.71Å; F344-A348 PolarHBondContact O-N 2.99Å; L345-A348 PolarHBondContact O-N 3.3Å; A348-S350 VanDerWaalsContact C-N 3.35Å; A348-S350 PolarHBondContact O-N 3.43Å; A348-R351 PolarHBondContact O-N 2.8Å; A348-M352 WeakPolarHBondContact O-CB 3.47Å; A348-M352 WeakPolarHBondContact O-CG 3.23Å; A348-M352 PolarHBondContact O-N 3.49Å |
| 349 | D | 92.4 | Very high | 90.9 | Very high | 16 Ų | 16 | 35.7 Ų | 35.7 | 9% | 0.086 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.5 | -49.8 | 173.4 | 174.5 | 88 | 0 | 0 | 0 | 111.1 | S189 L345 Y347 M352 K353 | S189-D349 VanDerWaalsContact CA-OD1 3.23Å; S189-D349 WeakPolarHBondContact CA-OD1 3.43Å; S189-D349 WeakPolarHBondContact CB-OD1 3.4Å; S189-D349 PolarHBondContact N-OD1 3.37Å; S189-D349 PolarHBondContact OG-O 2.84Å; S189-D349 PolarHBondContact OG-OD1 3.3Å; L345-D349 WeakPolarHBondContact O-CB 3.27Å; L345-D349 PolarHBondContact O-N 2.85Å; Y347-D349 PolarHBondContact O-N 2.66Å; D349-M352 PolarHBondContact O-N 3.01Å; D349-K353 WeakPolarHBondContact O-CG 3.26Å; D349-K353 PolarHBondContact O-N 3.48Å; D349-K353 IonicContact OD1-NZ 3.69Å; D349-K353 WeakPolarHBondContact OD2-CE 3.2Å; D349-K353 IonicContact OD2-NZ 2.69Å; D349-K353 PolarHBondContact OD2-NZ 3.03Å |
| 350 | S | 93.3 | Very high | 91.4 | Very high | 8 Ų | 8 | 41.6 Ų | 41.6 | 6% | 0.056 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.3 | -51.1 | 177.6 | -172 | 0 | 0 | 0 | 0 | 111.9 | Y265 A266 T267 A346 Y347 A348 M352 K353 Q354 | Y265-S350 VanDerWaalsContact O-CB 3.27Å; Y265-S350 WeakPolarHBondContact O-CB 3.42Å; Y265-S350 PolarHBondContact O-OG 3.48Å; A266-S350 PolarHBondContact O-OG 2.93Å; T267-S350 PolarHBondContact N-OG 3.33Å; A346-S350 WeakPolarHBondContact O-CB 3.41Å; A346-S350 PolarHBondContact O-N 3.21Å; Y347-S350 WeakPolarHBondContact O-CB 3.23Å; Y347-S350 PolarHBondContact O-N 2.88Å; A348-S350 VanDerWaalsContact C-N 3.35Å; A348-S350 PolarHBondContact O-N 3.43Å; S350-M352 VanDerWaalsContact C-N 3.33Å; S350-M352 PolarHBondContact O-N 3.49Å; S350-K353 PolarHBondContact O-N 3.38Å; S350-Q354 WeakPolarHBondContact O-CG 3.46Å; S350-Q354 PolarHBondContact O-N 3.49Å |
| 351 | R | 95.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.2 | -39.9 | 177.9 | -63.5 | -60.7 | -70.1 | -135.3 | 18.4 | 112.1 | E260 A266 S323 H324 W327 A328 Y347 A348 Q354 Y355 | E260-R351 IonicContact OE1-CZ 2.6Å; E260-R351 IonicContact OE1-NH1 2.79Å; E260-R351 PolarHBondContact OE1-NH1 3.01Å; A266-R351 VanDerWaalsContact CB-CD 3.42Å; A266-R351 HydrophobicContact CB-CG 4.38Å; S323-R351 PolarHBondContact O-NH2 3.11Å; S323-R351 PolarHBondContact OG-NH2 3.29Å; H324-R351 PolarHBondContact ND1-NE 2.83Å; W327-R351 HydrophobicContact CB-CG 4.45Å; W327-R351 VanDerWaalsContact CD1-NH2 3.3Å; A328-R351 HydrophobicContact CB-CB 3.82Å; Y347-R351 HydrophobicContact CD1-CG 3.86Å; Y347-R351 HydrophobicContact CE1-CG 3.56Å; Y347-R351 HydrophobicContact CE2-CG 4.47Å; Y347-R351 HydrophobicContact CG-CG 4.48Å; Y347-R351 WeakPolarHBondContact O-CG 3.28Å; Y347-R351 PolarHBondContact O-N 2.97Å; Y347-R351 PolarHBondContact OH-NH1 2.8Å; A348-R351 PolarHBondContact O-N 2.8Å; R351-Q354 PolarHBondContact O-N 2.76Å; R351-Y355 WeakPolarHBondContact O-CB 3.45Å; R351-Y355 PolarHBondContact O-N 2.86Å |
| 352 | M | 94.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.2 | -40.4 | 176.7 | -73.2 | -54.8 | -53.8 | 0 | 0 | 112.5 | F191 P192 L325 A328 A348 D349 S350 Q354 Y355 Y356 | F191-M352 HydrophobicContact CD2-CG 3.84Å; F191-M352 HydrophobicContact CD2-SD 4.4Å; F191-M352 HydrophobicContact CE2-CG 4.16Å; F191-M352 HydrophobicContact CE2-SD 4.18Å; P192-M352 HydrophobicContact CG-CE 3.77Å; L325-M352 HydrophobicContact CD2-CE 4.16Å; L325-M352 HydrophobicContact CD2-SD 3.98Å; A328-M352 HydrophobicContact CB-CG 3.97Å; A328-M352 HydrophobicContact CB-SD 3.84Å; A348-M352 WeakPolarHBondContact O-CB 3.47Å; A348-M352 WeakPolarHBondContact O-CG 3.23Å; A348-M352 PolarHBondContact O-N 3.49Å; D349-M352 PolarHBondContact O-N 3.01Å; S350-M352 VanDerWaalsContact C-N 3.33Å; S350-M352 PolarHBondContact O-N 3.49Å; M352-Q354 VanDerWaalsContact C-N 3.32Å; M352-Q354 PolarHBondContact O-N 3.5Å; M352-Y355 HydrophobicContact CE-CD1 4.03Å; M352-Y355 WeakPolarHBondContact O-CB 3.25Å; M352-Y355 PolarHBondContact O-N 3.43Å; M352-Y356 HydrophobicContact CB-CE2 4.24Å; M352-Y356 HydrophobicContact CE-CE1 4.21Å; M352-Y356 HydrophobicContact CE-CE2 3.82Å; M352-Y356 WeakPolarHBondContact CE-OH 3.21Å; M352-Y356 WeakPolarHBondContact O-CD2 3.43Å; M352-Y356 PolarHBondContact O-N 2.88Å |
| 353 | K | 93.3 | Very high | 93.1 | Very high | 63 Ų | 63 | 31.2 Ų | 31.2 | 27% | 0.274 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -58.8 | -44.4 | 173.1 | -75.5 | 166.7 | 171.9 | 172.3 | 0 | 111.4 | E188 S189 D349 S350 Y356 N357 | E188-K353 IonicContact OE2-NZ 3.29Å; E188-K353 PolarHBondContact OE2-NZ 3.35Å; S189-K353 WeakPolarHBondContact OG-CE 3.49Å; S189-K353 WeakPolarHBondContact OG-CG 3.44Å; D349-K353 WeakPolarHBondContact O-CG 3.26Å; D349-K353 PolarHBondContact O-N 3.48Å; D349-K353 IonicContact OD1-NZ 3.69Å; D349-K353 WeakPolarHBondContact OD2-CE 3.2Å; D349-K353 IonicContact OD2-NZ 2.69Å; D349-K353 PolarHBondContact OD2-NZ 3.03Å; S350-K353 PolarHBondContact O-N 3.38Å; K353-Y356 PolarHBondContact O-N 3.09Å; K353-N357 VanDerWaalsContact O-CG 3.3Å; K353-N357 PolarHBondContact O-N 2.89Å; K353-N357 PolarHBondContact O-ND2 3.15Å |
| 354 | Q | 94.2 | Very high | 93.1 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 3% | 0.028 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 175.9 | -58.1 | -60.6 | 30.4 | 0 | 0 | 112.3 | A266 F269 H324 S350 R351 M352 Y356 N357 M358 | A266-Q354 PolarHBondContact O-NE2 2.85Å; F269-Q354 VanDerWaalsContact CA-NE2 3.26Å; F269-Q354 HydrophobicContact CD2-CG 4.41Å; H324-Q354 WeakPolarHBondContact CE1-CB 3.42Å; S350-Q354 WeakPolarHBondContact O-CG 3.46Å; S350-Q354 PolarHBondContact O-N 3.49Å; R351-Q354 PolarHBondContact O-N 2.76Å; M352-Q354 VanDerWaalsContact C-N 3.32Å; M352-Q354 PolarHBondContact O-N 3.5Å; Q354-Y356 VanDerWaalsContact C-N 3.34Å; Q354-Y356 PolarHBondContact O-N 2.84Å; Q354-N357 PolarHBondContact O-N 2.86Å; Q354-M358 WeakPolarHBondContact O-CB 3.44Å; Q354-M358 WeakPolarHBondContact O-CG 3.26Å; Q354-M358 PolarHBondContact O-N 2.78Å |
| 355 | Y | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -52.7 | -50.8 | 173.4 | 173.3 | -98.7 | 0 | 0 | 0 | 111.9 | E200 L204 L321 H324 L325 R351 M352 N357 M358 K359 | E200-Y355 HydrophobicContact CG-CE1 4.4Å; E200-Y355 PolarHBondContact OE2-OH 3.37Å; L204-Y355 HydrophobicContact CD1-CE2 4.02Å; L321-Y355 HydrophobicContact CB-CD2 4.17Å; L321-Y355 HydrophobicContact CB-CE2 4Å; L321-Y355 HydrophobicContact CD2-CD2 3.64Å; L321-Y355 HydrophobicContact CD2-CE2 3.78Å; L321-Y355 HydrophobicContact CD2-CG 4.46Å; L321-Y355 WeakPolarHBondContact CD2-O 3.32Å; L321-Y355 HydrophobicContact CG-CE2 4.42Å; L321-Y355 WeakPolarHBondContact O-CD2 3.36Å; H324-Y355 HydrophobicContact CB-CD2 4.47Å; L325-Y355 HydrophobicContact CD1-CD2 4.16Å; L325-Y355 HydrophobicContact CD1-CE2 3.6Å; L325-Y355 HydrophobicContact CD2-CD1 3.98Å; L325-Y355 HydrophobicContact CD2-CD2 3.72Å; L325-Y355 HydrophobicContact CD2-CE1 4.07Å; L325-Y355 HydrophobicContact CD2-CE2 3.81Å; L325-Y355 HydrophobicContact CD2-CG 3.81Å; L325-Y355 HydrophobicContact CG-CD2 3.62Å; L325-Y355 HydrophobicContact CG-CE2 3.6Å; L325-Y355 HydrophobicContact CG-CG 4.22Å; R351-Y355 WeakPolarHBondContact O-CB 3.45Å; R351-Y355 PolarHBondContact O-N 2.86Å; M352-Y355 HydrophobicContact CE-CD1 4.03Å; M352-Y355 WeakPolarHBondContact O-CB 3.25Å; M352-Y355 PolarHBondContact O-N 3.43Å; Y355-N357 PolarHBondContact O-N 2.89Å; Y355-M358 PolarHBondContact O-N 2.95Å; Y355-K359 HydrophobicContact CE1-CD 4.02Å; Y355-K359 VanDerWaalsContact O-CB 3.3Å; Y355-K359 WeakPolarHBondContact O-CB 3.31Å; Y355-K359 PolarHBondContact O-N 2.54Å |
| 356 | Y | 94.4 | Very high | 93 | Very high | 63 Ų | 63 | 36 Ų | 36 | 25% | 0.247 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.8 | -37.2 | -179.7 | -66.2 | -50.8 | 0 | 0 | 0 | 113.3 | Y196 M352 K353 Q354 K360 | Y196-Y356 HydrophobicContact CE1-CE1 4.17Å; Y196-Y356 WeakPolarHBondContact CE1-OH 3.35Å; Y196-Y356 WeakPolarHBondContact OH-CE1 3.42Å; M352-Y356 HydrophobicContact CB-CE2 4.24Å; M352-Y356 HydrophobicContact CE-CE1 4.21Å; M352-Y356 HydrophobicContact CE-CE2 3.82Å; M352-Y356 WeakPolarHBondContact CE-OH 3.21Å; M352-Y356 WeakPolarHBondContact O-CD2 3.43Å; M352-Y356 PolarHBondContact O-N 2.88Å; K353-Y356 PolarHBondContact O-N 3.09Å; Q354-Y356 VanDerWaalsContact C-N 3.34Å; Q354-Y356 PolarHBondContact O-N 2.84Å; Y356-K360 WeakPolarHBondContact O-CG 3.42Å; Y356-K360 PolarHBondContact O-N 3.27Å |
| 357 | N | 92.2 | Very high | 92.9 | Very high | 73 Ų | 73 | 43 Ų | 43 | 39% | 0.39 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.4 | -48.7 | 174.9 | -72.2 | -22.2 | 0 | 0 | 0 | 110.9 | F269 K353 Q354 Y355 K359 K360 W361 | F269-N357 HydrophobicContact CE1-CB 4.26Å; F269-N357 HydrophobicContact CZ-CB 4.29Å; K353-N357 VanDerWaalsContact O-CG 3.3Å; K353-N357 PolarHBondContact O-N 2.89Å; K353-N357 PolarHBondContact O-ND2 3.15Å; Q354-N357 PolarHBondContact O-N 2.86Å; Y355-N357 PolarHBondContact O-N 2.89Å; N357-K359 PolarHBondContact O-N 3.28Å; N357-K360 PolarHBondContact O-N 2.81Å; N357-W361 WeakPolarHBondContact O-CB 3.26Å; N357-W361 PolarHBondContact O-N 2.93Å; N357-W361 VanDerWaalsContact O-N 3.08Å |
| 358 | M | 93.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.6 | -37.8 | 178.3 | -70.9 | -170.7 | 75.5 | 0 | 0 | 112.3 | F269 Y272 A320 L321 H324 Q354 Y355 K360 W361 L362 | F269-M358 HydrophobicContact CE2-CG 3.73Å; F269-M358 HydrophobicContact CE2-SD 4.34Å; F269-M358 HydrophobicContact CZ-CG 3.83Å; Y272-M358 HydrophobicContact CE1-CE 4.05Å; Y272-M358 HydrophobicContact CE2-CE 4.21Å; Y272-M358 HydrophobicContact CE2-SD 4.39Å; Y272-M358 WeakPolarHBondContact OH-CE 3.4Å; A320-M358 HydrophobicContact CB-CE 3.6Å; A320-M358 HydrophobicContact CB-SD 4.3Å; L321-M358 HydrophobicContact CD2-CB 3.41Å; L321-M358 VanDerWaalsContact CD2-CB 3.41Å; L321-M358 HydrophobicContact CG-CB 4.26Å; H324-M358 VanDerWaalsContact CD2-SD 3.54Å; H324-M358 PolarHBondContact NE2-SD 2.89Å; Q354-M358 WeakPolarHBondContact O-CB 3.44Å; Q354-M358 WeakPolarHBondContact O-CG 3.26Å; Q354-M358 PolarHBondContact O-N 2.78Å; Y355-M358 PolarHBondContact O-N 2.95Å; M358-K360 PolarHBondContact O-N 2.96Å; M358-W361 HydrophobicContact CE-CE3 4.46Å; M358-W361 HydrophobicContact CE-CZ3 4.11Å; M358-W361 PolarHBondContact O-N 2.88Å; M358-W361 VanDerWaalsContact O-N 3.11Å; M358-L362 HydrophobicContact CB-CD1 4.19Å; M358-L362 HydrophobicContact CE-CD1 4.04Å; M358-L362 WeakPolarHBondContact O-CD1 3.24Å; M358-L362 PolarHBondContact O-N 3.24Å |
| 359 | K | 94.3 | Very high | 92 | Very high | 34 Ų | 34 | 46.5 Ų | 46.5 | 15% | 0.148 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.3 | -34.3 | 178.4 | -173.7 | 178.7 | -177.7 | 175.6 | 0 | 111.4 | E200 L321 Y355 N357 P363 L371 | E200-K359 IonicContact OE1-NZ 3.14Å; E200-K359 PolarHBondContact OE1-NZ 3.25Å; E200-K359 IonicContact OE2-NZ 2.7Å; E200-K359 PolarHBondContact OE2-NZ 2.81Å; L321-K359 HydrophobicContact CD2-CB 4.25Å; Y355-K359 HydrophobicContact CE1-CD 4.02Å; Y355-K359 VanDerWaalsContact O-CB 3.3Å; Y355-K359 WeakPolarHBondContact O-CB 3.31Å; Y355-K359 PolarHBondContact O-N 2.54Å; N357-K359 PolarHBondContact O-N 3.28Å; K359-P363 WeakPolarHBondContact O-CD 3.22Å; K359-P363 WeakPolarHBondContact O-CG 3.23Å; K359-L371 WeakPolarHBondContact CE-O 3.46Å; K359-L371 HydrophobicContact CG-CD1 4.41Å |
| 360 | K | 93 | Very high | 91.4 | Very high | 163 Ų | 163 | 52.9 Ų | 52.9 | 71% | 0.709 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -77.2 | -38.1 | 174.3 | -67.6 | 172.6 | -176.1 | 174 | 0 | 112.6 | Y356 N357 M358 | Y356-K360 WeakPolarHBondContact O-CG 3.42Å; Y356-K360 PolarHBondContact O-N 3.27Å; N357-K360 PolarHBondContact O-N 2.81Å; M358-K360 PolarHBondContact O-N 2.96Å |
| 361 | W | 92.7 | Very high | 90.8 | Very high | 73 Ų | 73 | 54.5 Ų | 54.5 | 28% | 0.277 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -73.8 | -46.4 | -175.6 | 170 | 70.8 | 0 | 0 | 0 | 113.2 | Y272 I275 N317 N357 M358 S364 T365 F366 | Y272-W361 HydrophobicContact CE1-CH2 4.48Å; Y272-W361 HydrophobicContact CE1-CZ3 4.43Å; I275-W361 HydrophobicContact CD1-CH2 3.83Å; I275-W361 HydrophobicContact CD1-CZ2 3.8Å; I275-W361 HydrophobicContact CG1-CZ2 4.28Å; N317-W361 HydrophobicContact CB-CZ3 4.28Å; N317-W361 WeakPolarHBondContact OD1-CZ3 3.24Å; N357-W361 WeakPolarHBondContact O-CB 3.26Å; N357-W361 PolarHBondContact O-N 2.93Å; N357-W361 VanDerWaalsContact O-N 3.08Å; M358-W361 HydrophobicContact CE-CE3 4.46Å; M358-W361 HydrophobicContact CE-CZ3 4.11Å; M358-W361 PolarHBondContact O-N 2.88Å; M358-W361 VanDerWaalsContact O-N 3.11Å; W361-S364 PolarHBondContact O-N 3.39Å; W361-S364 PolarHBondContact O-OG 3.24Å; W361-T365 HydrophobicContact CZ2-CG2 3.86Å; W361-T365 PolarHBondContact NE1-OG1 3.18Å; W361-T365 PolarHBondContact O-N 3.17Å; W361-T365 VanDerWaalsContact O-N 3.12Å; W361-T365 PolarHBondContact O-OG1 3.05Å; W361-F366 AromaticContact CH2-CE2 3.86Å; W361-F366 HydrophobicContact CH2-CE2 3.86Å; W361-F366 HydrophobicContact CH2-CZ 4.34Å; W361-F366 HydrophobicContact CZ2-CE2 4.37Å; W361-F366 HydrophobicContact CZ3-CE2 4.18Å |
| 362 | L | 92.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -53.9 | -49.7 | -173.5 | -108.6 | 103 | 0 | 0 | 0 | 114.6 | Y208 N317 C318 L321 M358 S364 T365 F366 L368 | Y208-L362 HydrophobicContact CE2-CD2 4.43Å; N317-L362 HydrophobicContact CB-CD1 4.08Å; N317-L362 HydrophobicContact CB-CD2 4.16Å; N317-L362 HydrophobicContact CB-CG 4.22Å; C318-L362 HydrophobicContact CB-CD2 4.37Å; C318-L362 WeakPolarHBondContact SG-CD2 3.38Å; L321-L362 HydrophobicContact CD1-CD1 3.96Å; L321-L362 HydrophobicContact CD1-CD2 4.3Å; L321-L362 HydrophobicContact CG-CD1 4.07Å; M358-L362 HydrophobicContact CB-CD1 4.19Å; M358-L362 HydrophobicContact CE-CD1 4.04Å; M358-L362 WeakPolarHBondContact O-CD1 3.24Å; M358-L362 PolarHBondContact O-N 3.24Å; L362-S364 VanDerWaalsContact C-N 3.28Å; L362-S364 PolarHBondContact O-N 2.96Å; L362-T365 PolarHBondContact O-N 3.34Å; L362-F366 HydrophobicContact CD2-CD2 4.42Å; L362-F366 HydrophobicContact CG-CD2 4.1Å; L362-F366 HydrophobicContact CG-CE2 4.43Å; L362-F366 PolarHBondContact O-N 3.49Å; L362-L368 HydrophobicContact CB-CD1 4.39Å; L362-L368 HydrophobicContact CD2-CD1 3.65Å |
| 363 | P | 91.3 | Very high | 90.3 | Very high | 19 Ų | 19 | 60.1 Ų | 60.1 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -52.7 | -46 | 178.3 | -28.3 | 35.5 | 0 | 0 | 0 | 113.2 | K359 Q367 L368 I370 | K359-P363 WeakPolarHBondContact O-CD 3.22Å; K359-P363 WeakPolarHBondContact O-CG 3.23Å; P363-Q367 VanDerWaalsContact O-CA 3.32Å; P363-Q367 WeakPolarHBondContact O-CA 3.5Å; P363-Q367 PolarHBondContact O-N 3.11Å; P363-L368 PolarHBondContact O-N 2.93Å; P363-I370 HydrophobicContact CB-CG1 4.34Å |
| 364 | S | 90.6 | Very high | 90.1 | Very high | 95 Ų | 95 | 59.9 Ų | 59.9 | 66% | 0.664 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -70.8 | -34 | -178.4 | 71.1 | 0 | 0 | 0 | 0 | 113.2 | W361 L362 | W361-S364 PolarHBondContact O-N 3.39Å; W361-S364 PolarHBondContact O-OG 3.24Å; L362-S364 VanDerWaalsContact C-N 3.28Å; L362-S364 PolarHBondContact O-N 2.96Å |
| 365 | T | 90.5 | Very high | 89.9 | Confident | 57 Ų | 57 | 63.1 Ų | 63.1 | 35% | 0.35 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -83.8 | -36.2 | -176 | -61.4 | 0 | 0 | 0 | 0 | 112.7 | I275 W361 L362 | I275-T365 HydrophobicContact CD1-CG2 4.45Å; W361-T365 HydrophobicContact CZ2-CG2 3.86Å; W361-T365 PolarHBondContact NE1-OG1 3.18Å; W361-T365 PolarHBondContact O-N 3.17Å; W361-T365 VanDerWaalsContact O-N 3.12Å; W361-T365 PolarHBondContact O-OG1 3.05Å; L362-T365 PolarHBondContact O-N 3.34Å |
| 366 | F | 90.7 | Very high | 89.5 | Confident | 31 Ų | 31 | 67.1 Ų | 67.1 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -116.8 | 13.3 | -173.2 | -60.7 | -72.8 | 0 | 0 | 0 | 114.4 | I275 L313 K314 N317 W361 L362 L368 | I275-F366 HydrophobicContact CD1-CE1 4.36Å; I275-F366 HydrophobicContact CD1-CE2 4.4Å; I275-F366 HydrophobicContact CD1-CZ 3.61Å; L313-F366 HydrophobicContact CB-CE1 3.87Å; L313-F366 HydrophobicContact CB-CZ 4.36Å; K314-F366 HydrophobicContact CB-CB 4.36Å; K314-F366 HydrophobicContact CB-CD1 4.07Å; K314-F366 HydrophobicContact CB-CG 4.26Å; K314-F366 HydrophobicContact CG-CB 4.13Å; K314-F366 HydrophobicContact CG-CG 4.47Å; N317-F366 HydrophobicContact CB-CE2 3.89Å; N317-F366 HydrophobicContact CB-CZ 4.38Å; N317-F366 WeakPolarHBondContact ND2-CZ 3.42Å; W361-F366 AromaticContact CH2-CE2 3.86Å; W361-F366 HydrophobicContact CH2-CE2 3.86Å; W361-F366 HydrophobicContact CH2-CZ 4.34Å; W361-F366 HydrophobicContact CZ2-CE2 4.37Å; W361-F366 HydrophobicContact CZ3-CE2 4.18Å; L362-F366 HydrophobicContact CD2-CD2 4.42Å; L362-F366 HydrophobicContact CG-CD2 4.1Å; L362-F366 HydrophobicContact CG-CE2 4.43Å; L362-F366 PolarHBondContact O-N 3.49Å; F366-L368 VanDerWaalsContact C-N 3.27Å; F366-L368 HydrophobicContact CB-CD1 4.19Å; F366-L368 HydrophobicContact CB-CG 4.41Å; F366-L368 PolarHBondContact O-N 3.38Å |
| 367 | Q | 88.3 | Confident | 89.2 | Confident | 183 Ų | 183 | 67.3 Ų | 67.3 | 86% | 0.855 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 43.2 | 179.5 | -56.1 | 176.2 | 7.5 | 0 | 0 | 112.5 | P363 | P363-Q367 VanDerWaalsContact O-CA 3.32Å; P363-Q367 WeakPolarHBondContact O-CA 3.5Å; P363-Q367 PolarHBondContact O-N 3.11Å |
| 368 | L | 86 | Confident | 89 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 8% | 0.079 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -88.6 | 152.7 | 176.6 | -80.7 | 162.4 | 0 | 0 | 0 | 111 | Y208 K314 L362 P363 F366 | Y208-L368 HydrophobicContact CD1-CD2 3.72Å; Y208-L368 HydrophobicContact CD2-CD1 4.14Å; Y208-L368 HydrophobicContact CE1-CB 3.9Å; Y208-L368 HydrophobicContact CE1-CD1 4.36Å; Y208-L368 HydrophobicContact CE1-CD2 3.76Å; Y208-L368 HydrophobicContact CE1-CG 4.24Å; Y208-L368 HydrophobicContact CE2-CB 4.49Å; Y208-L368 HydrophobicContact CE2-CD1 3.84Å; Y208-L368 HydrophobicContact CG-CD1 4.49Å; Y208-L368 HydrophobicContact CG-CD2 4.17Å; K314-L368 HydrophobicContact CD-CD2 4.41Å; K314-L368 HydrophobicContact CG-CD1 4.27Å; L362-L368 HydrophobicContact CB-CD1 4.39Å; L362-L368 HydrophobicContact CD2-CD1 3.65Å; P363-L368 PolarHBondContact O-N 2.93Å; F366-L368 VanDerWaalsContact C-N 3.27Å; F366-L368 HydrophobicContact CB-CD1 4.19Å; F366-L368 HydrophobicContact CB-CG 4.41Å; F366-L368 PolarHBondContact O-N 3.38Å |
| 369 | P | 83.4 | Confident | 88.6 | Confident | 76 Ų | 76 | 72.1 Ų | 72.1 | 49% | 0.494 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -63 | 147.5 | 169.8 | 26.5 | -30.4 | 0 | 0 | 0 | 110.1 | Y208 L371 | Y208-P369 HydrophobicContact CE1-CG 4.01Å; Y208-P369 WeakPolarHBondContact CE1-O 3.38Å; Y208-P369 PolarHBondContact OH-O 3.02Å; P369-L371 PolarHBondContact O-N 2.68Å |
| 370 | I | 80.1 | Confident | 88.2 | Confident | 150 Ų | 150 | 75.3 Ų | 75.3 | 77% | 0.769 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -70 | 130.8 | 176.8 | -59.1 | 171.9 | 0 | 0 | 0 | 108.6 | P363 | P363-I370 HydrophobicContact CB-CG1 4.34Š|
| 371 | L | 79.6 | Confident | 87.7 | Confident | 41 Ų | 41 | 67.3 Ų | 67.3 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | trans | -81.8 | 0 | 178.3 | -71.8 | 174.9 | 0 | 0 | 0 | 113.6 | Q203 L204 Q207 Y208 K359 P369 | Q203-L371 HydrophobicContact CB-CD2 4.23Å; Q203-L371 PolarHBondContact NE2-OXT 2.77Å; L204-L371 HydrophobicContact CD2-CD1 3.54Å; L204-L371 HydrophobicContact CG-CD1 4.28Å; Q207-L371 HydrophobicContact CB-CD2 4.14Å; Q207-L371 HydrophobicContact CG-CD2 4.49Å; Y208-L371 HydrophobicContact CD1-CD2 4.08Å; Y208-L371 HydrophobicContact CD2-CD1 3.97Å; Y208-L371 HydrophobicContact CD2-CG 4.48Å; Y208-L371 HydrophobicContact CE1-CD1 4.36Å; Y208-L371 HydrophobicContact CE1-CD2 3.72Å; Y208-L371 HydrophobicContact CE1-CG 3.84Å; Y208-L371 HydrophobicContact CE2-CD1 3.43Å; Y208-L371 VanDerWaalsContact CE2-CD1 3.43Å; Y208-L371 HydrophobicContact CE2-CD2 4.28Å; Y208-L371 HydrophobicContact CE2-CG 3.79Å; Y208-L371 VanDerWaalsContact CZ-CG 3.43Å; Y208-L371 WeakPolarHBondContact OH-CG 2.77Å; K359-L371 WeakPolarHBondContact CE-O 3.46Å; K359-L371 HydrophobicContact CG-CD1 4.41Å; P369-L371 PolarHBondContact O-N 2.68Å |
Retrieved 371 of 371 residues in 98.4 ms
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