| 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 | 38.3 | Very low | 70.8 | Confident | 248 Ų | 248 | 114.8 Ų | 114.8 | 100% | 1.222 | 57% | 0.574 | S | S | * | * | 0 | 61.1 | 0 | -144.6 | -179.3 | -138.3 | 0 | 0 | 109.8 | |||||
| 2 | S | 45.9 | Very low | 72.4 | Confident | 70 Ų | 70 | 112.3 Ų | 112.3 | 49% | 0.49 | 56% | 0.564 | S | S | . | * | trans | -138 | 127.9 | 152.2 | 53.1 | 0 | 0 | 0 | 0 | 103.3 | F4 | S2-F4 PolarHBondContact O-N 3.12Š| ||
| 3 | F | 58.2 | Low | 74 | Confident | 192 Ų | 192 | 104.3 Ų | 104.3 | 84% | 0.842 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -76.5 | -6.7 | -167.7 | -104.7 | -92.1 | 0 | 0 | 0 | 114 | ||
| 4 | F | 66.5 | Low | 75.3 | Confident | 128 Ų | 128 | 98.4 Ų | 98.4 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | trans | -150 | 86.5 | 177.2 | -63 | -77.2 | 0 | 0 | 0 | 109.3 | S2 E6 L7 | S2-F4 PolarHBondContact O-N 3.12Å; F4-E6 VanDerWaalsContact CA-OE2 3.22Å; F4-E6 WeakPolarHBondContact CA-OE2 3.41Å; F4-E6 PolarHBondContact O-N 3.39Å; F4-E6 VanDerWaalsContact O-N 3.17Å; F4-L7 HydrophobicContact CB-CD1 3.74Å; F4-L7 HydrophobicContact CB-CG 3.82Å; F4-L7 HydrophobicContact CD2-CD1 4.37Å; F4-L7 HydrophobicContact CG-CD1 4.37Å; F4-L7 PolarHBondContact O-N 2.9Å; F4-L7 VanDerWaalsContact O-N 3.17Å | ||
| 5 | P | 66.7 | Low | 76.6 | Confident | 65 Ų | 65 | 101 Ų | 101 | 42% | 0.422 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -24.5 | 176.6 | 23.9 | -32.8 | 0 | 0 | 0 | 112.5 | L7 Y8 F9 | P5-L7 PolarHBondContact O-N 3.38Å; P5-Y8 PolarHBondContact O-N 2.7Å; P5-F9 PolarHBondContact O-N 2.65Å; P5-F9 VanDerWaalsContact O-N 3.13Å |
| 6 | E | 73.1 | Confident | 77.7 | Confident | 62 Ų | 62 | 94.8 Ų | 94.8 | 29% | 0.29 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.3 | -30.1 | 177.9 | -54 | 79.9 | -171.1 | 0 | 0 | 112.5 | F4 Y8 F9 F310 | F4-E6 VanDerWaalsContact CA-OE2 3.22Å; F4-E6 WeakPolarHBondContact CA-OE2 3.41Å; F4-E6 PolarHBondContact O-N 3.39Å; F4-E6 VanDerWaalsContact O-N 3.17Å; E6-Y8 VanDerWaalsContact C-N 3.28Å; E6-Y8 PolarHBondContact O-N 3.13Å; E6-F9 PolarHBondContact O-N 2.73Å; E6-F310 HydrophobicContact CB-CB 4.12Å; E6-F310 HydrophobicContact CB-CD2 4.04Å; E6-F310 HydrophobicContact CB-CG 4.26Å; E6-F310 HydrophobicContact CG-CB 4.12Å; E6-F310 HydrophobicContact CG-CD2 4.3Å |
| 7 | L | 77.9 | Confident | 78.7 | Confident | 128 Ų | 128 | 89.7 Ų | 89.7 | 67% | 0.67 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -67.5 | -28.5 | -179.8 | -69.7 | 175.1 | 0 | 0 | 0 | 113.1 | F4 P5 | F4-L7 HydrophobicContact CB-CD1 3.74Å; F4-L7 HydrophobicContact CB-CG 3.82Å; F4-L7 HydrophobicContact CD2-CD1 4.37Å; F4-L7 HydrophobicContact CG-CD1 4.37Å; F4-L7 PolarHBondContact O-N 2.9Å; F4-L7 VanDerWaalsContact O-N 3.17Å; P5-L7 PolarHBondContact O-N 3.38Å |
| 8 | Y | 83.6 | Confident | 79.5 | Confident | 159 Ų | 159 | 87.2 Ų | 87.2 | 62% | 0.624 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -104.9 | -10.6 | -178.4 | -62 | -80 | 0 | 0 | 0 | 112.7 | P5 E6 N10 V11 | P5-Y8 PolarHBondContact O-N 2.7Å; E6-Y8 VanDerWaalsContact C-N 3.28Å; E6-Y8 PolarHBondContact O-N 3.13Å; Y8-N10 VanDerWaalsContact C-N 3.27Å; Y8-N10 PolarHBondContact O-N 2.98Å; Y8-V11 WeakPolarHBondContact O-CB 3.48Å; Y8-V11 WeakPolarHBondContact O-CG2 3.36Å; Y8-V11 PolarHBondContact O-N 3.17Å |
| 9 | F | 88.3 | Confident | 80.4 | Confident | 16 Ų | 16 | 85 Ų | 85 | 7% | 0.07 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -52.5 | -46 | -177.3 | -176.1 | -85.7 | 0 | 0 | 0 | 112.5 | P5 E6 V11 N13 E17 F310 F312 | P5-F9 PolarHBondContact O-N 2.65Å; P5-F9 VanDerWaalsContact O-N 3.13Å; E6-F9 PolarHBondContact O-N 2.73Å; F9-V11 PolarHBondContact O-N 3.19Å; F9-N13 HydrophobicContact CD1-CB 4.04Å; F9-N13 HydrophobicContact CE1-CB 3.58Å; F9-N13 HydrophobicContact CE2-CB 4.19Å; F9-N13 HydrophobicContact CG-CB 4.49Å; F9-N13 HydrophobicContact CZ-CB 3.68Å; F9-N13 WeakPolarHBondContact O-CB 3.24Å; F9-N13 PolarHBondContact O-N 3.29Å; F9-N13 PolarHBondContact O-ND2 3.08Å; F9-E17 HydrophobicContact CE1-CB 3.88Å; F9-E17 HydrophobicContact CE1-CG 4.4Å; F9-E17 WeakPolarHBondContact CE1-OE2 3.24Å; F9-E17 HydrophobicContact CZ-CB 4.4Å; F9-F310 HydrophobicContact CB-CB 4.07Å; F9-F310 HydrophobicContact CB-CD1 4.44Å; F9-F310 HydrophobicContact CD1-CB 4.05Å; F9-F310 AromaticContact CD1-CD1 3.86Å; F9-F310 HydrophobicContact CD1-CD1 3.86Å; F9-F310 HydrophobicContact CD1-CG 4.47Å; F9-F310 HydrophobicContact CD2-CB 4.23Å; F9-F310 VanDerWaalsContact CE2-C 3.44Å; F9-F310 HydrophobicContact CG-CB 3.84Å; F9-F310 HydrophobicContact CG-CD1 4.34Å; F9-F312 HydrophobicContact CD2-CE1 4.16Å; F9-F312 AromaticContact CE2-CD1 3.66Å; F9-F312 HydrophobicContact CE2-CD1 3.66Å; F9-F312 AromaticContact CE2-CE1 3.34Å; F9-F312 HydrophobicContact CE2-CE1 3.34Å; F9-F312 HydrophobicContact CE2-CZ 4.2Å; F9-F312 HydrophobicContact CZ-CD1 4.05Å; F9-F312 AromaticContact CZ-CE1 3.94Å; F9-F312 HydrophobicContact CZ-CE1 3.94Å |
| 10 | N | 90.7 | Very high | 81.1 | Confident | 87 Ų | 87 | 80.8 Ų | 80.8 | 47% | 0.465 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -70.8 | -14.3 | -175.8 | -75.2 | -12.6 | 0 | 0 | 0 | 114.4 | Y8 D12 G14 | Y8-N10 VanDerWaalsContact C-N 3.27Å; Y8-N10 PolarHBondContact O-N 2.98Å; N10-D12 VanDerWaalsContact C-N 3.33Å; N10-G14 PolarHBondContact O-N 3.14Å |
| 11 | V | 90.1 | Very high | 81.7 | Confident | 108 Ų | 108 | 79.9 Ų | 79.9 | 66% | 0.655 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.7 | -46 | 179.2 | 178 | 0 | 0 | 0 | 0 | 110.1 | Y8 F9 | Y8-V11 WeakPolarHBondContact O-CB 3.48Å; Y8-V11 WeakPolarHBondContact O-CG2 3.36Å; Y8-V11 PolarHBondContact O-N 3.17Å; F9-V11 PolarHBondContact O-N 3.19Å |
| 12 | D | 89.9 | Confident | 84.4 | Confident | 85 Ų | 85 | 70.1 Ų | 70.1 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -108 | -29.3 | -177.2 | -56.8 | -47.9 | 0 | 0 | 0 | 112.6 | N10 | N10-D12 VanDerWaalsContact C-N 3.33Å |
| 13 | N | 92.6 | Very high | 86.6 | Confident | 8 Ų | 8 | 68.6 Ų | 68.6 | 4% | 0.043 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -114.8 | -4.8 | -166.9 | -52.8 | -69.4 | 0 | 0 | 0 | 114.4 | F9 Y15 L16 E17 L93 F312 | F9-N13 HydrophobicContact CD1-CB 4.04Å; F9-N13 HydrophobicContact CE1-CB 3.58Å; F9-N13 HydrophobicContact CE2-CB 4.19Å; F9-N13 HydrophobicContact CG-CB 4.49Å; F9-N13 HydrophobicContact CZ-CB 3.68Å; F9-N13 WeakPolarHBondContact O-CB 3.24Å; F9-N13 PolarHBondContact O-N 3.29Å; F9-N13 PolarHBondContact O-ND2 3.08Å; N13-Y15 PolarHBondContact O-N 2.9Å; N13-L16 PolarHBondContact O-N 3.48Å; N13-L16 VanDerWaalsContact O-N 3.14Å; N13-E17 PolarHBondContact O-N 2.82Å; N13-L93 HydrophobicContact CB-CD2 4.48Å; N13-L93 WeakPolarHBondContact OD1-CB 3.37Å; N13-L93 VanDerWaalsContact OD1-CD2 3.29Å; N13-L93 WeakPolarHBondContact OD1-CD2 3.41Å; N13-F312 HydrophobicContact CB-CE1 4.35Å |
| 14 | G | 92.3 | Very high | 88.2 | Confident | 21 Ų | 21 | 62.3 Ų | 62.3 | 22% | 0.216 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.1 | -40.1 | -173 | 0 | 0 | 0 | 0 | 0 | 113.2 | N10 G18 | N10-G14 PolarHBondContact O-N 3.14Å; G14-G18 PolarHBondContact O-N 3.44Å |
| 15 | Y | 94.3 | Very high | 89.4 | Confident | 138 Ų | 138 | 60.1 Ų | 60.1 | 54% | 0.541 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60 | -47.1 | 173.4 | 170.3 | -108.5 | 0 | 0 | 0 | 111.6 | N13 G18 L19 H84 | N13-Y15 PolarHBondContact O-N 2.9Å; Y15-G18 PolarHBondContact O-N 3.5Å; Y15-L19 WeakPolarHBondContact O-CB 3.47Å; Y15-L19 PolarHBondContact O-N 3.18Å; Y15-H84 PolarHBondContact OH-NE2 3.37Å |
| 16 | L | 95.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.8 | -39.5 | -176.4 | -71.9 | 176.7 | 0 | 0 | 0 | 112.8 | N13 G18 L19 V20 M85 H88 A89 L93 F315 | N13-L16 PolarHBondContact O-N 3.48Å; N13-L16 VanDerWaalsContact O-N 3.14Å; L16-G18 VanDerWaalsContact C-N 3.35Å; L16-L19 HydrophobicContact CD2-CD2 4.45Å; L16-L19 PolarHBondContact O-N 2.85Å; L16-V20 WeakPolarHBondContact O-CG1 3.46Å; L16-V20 PolarHBondContact O-N 2.96Å; L16-M85 HydrophobicContact CD2-CB 4.32Å; L16-M85 HydrophobicContact CD2-CG 4.39Å; L16-H88 HydrophobicContact CD1-CB 4.44Å; L16-H88 HydrophobicContact CD2-CB 3.97Å; L16-A89 HydrophobicContact CD1-CB 3.9Å; L16-L93 HydrophobicContact CB-CD2 4.22Å; L16-L93 HydrophobicContact CD1-CD2 3.49Å; L16-L93 VanDerWaalsContact CD1-CD2 3.49Å; L16-F315 HydrophobicContact CB-CE1 3.92Å; L16-F315 HydrophobicContact CB-CZ 3.72Å |
| 17 | E | 93.8 | Very high | 91.4 | Very high | 9 Ų | 9 | 55 Ų | 55 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 173.1 | -178.4 | 175.7 | -168.5 | 0 | 0 | 110.9 | F9 N13 L19 V20 R21 F310 | F9-E17 HydrophobicContact CE1-CB 3.88Å; F9-E17 HydrophobicContact CE1-CG 4.4Å; F9-E17 WeakPolarHBondContact CE1-OE2 3.24Å; F9-E17 HydrophobicContact CZ-CB 4.4Å; N13-E17 PolarHBondContact O-N 2.82Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 3.37Å; E17-V20 VanDerWaalsContact O-CG1 3.32Å; E17-V20 WeakPolarHBondContact O-CG1 3.4Å; E17-R21 HydrophobicContact CG-CG 4.47Å; E17-R21 WeakPolarHBondContact O-CB 3.15Å; E17-R21 VanDerWaalsContact O-CG 3.24Å; E17-R21 WeakPolarHBondContact O-CG 3.48Å; E17-R21 PolarHBondContact O-N 3.19Å; E17-R21 IonicContact OE1-CZ 2.72Å; E17-R21 VanDerWaalsContact OE1-CZ 3.3Å; E17-R21 IonicContact OE1-NE 2.98Å; E17-R21 PolarHBondContact OE1-NE 2.92Å; E17-R21 IonicContact OE1-NH2 3.33Å; E17-R21 PolarHBondContact OE1-NH2 3.27Å; E17-F310 PolarHBondContact OE1-N 3Å; E17-F310 PolarHBondContact OE2-N 3.02Å |
| 18 | G | 94.4 | Very high | 92.2 | Very high | 44 Ų | 44 | 49 Ų | 49 | 45% | 0.454 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G14 Y15 L16 G22 | G14-G18 PolarHBondContact O-N 3.44Å; Y15-G18 PolarHBondContact O-N 3.5Å; L16-G18 VanDerWaalsContact C-N 3.35Å; G18-G22 PolarHBondContact O-N 2.99Å |
| 19 | L | 95 | Very high | 92.6 | Very high | 46 Ų | 46 | 43.6 Ų | 43.6 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.1 | -52.7 | 177.9 | -179.4 | 64.6 | 0 | 0 | 0 | 111.8 | Y15 L16 E17 R21 G22 L23 M85 | Y15-L19 WeakPolarHBondContact O-CB 3.47Å; Y15-L19 PolarHBondContact O-N 3.18Å; L16-L19 HydrophobicContact CD2-CD2 4.45Å; L16-L19 PolarHBondContact O-N 2.85Å; E17-L19 VanDerWaalsContact C-N 3.32Å; E17-L19 PolarHBondContact O-N 3.37Å; L19-R21 VanDerWaalsContact C-N 3.29Å; L19-R21 PolarHBondContact O-N 3.33Å; L19-G22 CarbonylContact O-C 3.6Å; L19-G22 WeakPolarHBondContact O-CA 3.4Å; L19-G22 PolarHBondContact O-N 3.3Å; L19-L23 HydrophobicContact CG-CD1 4.31Å; L19-L23 WeakPolarHBondContact O-CG 3.4Å; L19-L23 PolarHBondContact O-N 2.98Å; L19-M85 HydrophobicContact CD2-CG 4.14Å |
| 20 | V | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.3 | -34.6 | -178.3 | 68.8 | 0 | 0 | 0 | 0 | 112 | L16 E17 G22 L23 K24 M85 V314 F315 F318 | L16-V20 WeakPolarHBondContact O-CG1 3.46Å; L16-V20 PolarHBondContact O-N 2.96Å; E17-V20 VanDerWaalsContact O-CG1 3.32Å; E17-V20 WeakPolarHBondContact O-CG1 3.4Å; V20-G22 VanDerWaalsContact C-N 3.34Å; V20-L23 PolarHBondContact O-N 3.37Å; V20-K24 WeakPolarHBondContact O-CB 3.24Å; V20-K24 PolarHBondContact O-N 2.8Å; V20-M85 HydrophobicContact CB-SD 3.97Å; V20-M85 HydrophobicContact CG2-SD 4.14Å; V20-V314 HydrophobicContact CG1-CB 4.33Å; V20-V314 HydrophobicContact CG1-CG2 3.75Å; V20-F315 HydrophobicContact CB-CD1 4.12Å; V20-F315 HydrophobicContact CB-CE1 4.03Å; V20-F315 HydrophobicContact CG1-CD1 4.12Å; V20-F315 HydrophobicContact CG1-CE1 3.84Å; V20-F315 HydrophobicContact CG1-CZ 4.17Å; V20-F315 HydrophobicContact CG2-CD1 4.27Å; V20-F318 HydrophobicContact CG2-CB 3.38Å; V20-F318 HydrophobicContact CG2-CD1 3.9Å; V20-F318 HydrophobicContact CG2-CD2 4.08Å; V20-F318 HydrophobicContact CG2-CG 3.51Å |
| 21 | R | 94.1 | Very high | 92.7 | Very high | 62 Ų | 62 | 46.9 Ų | 46.9 | 23% | 0.234 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.5 | -35.1 | 173.1 | -72.3 | 179.3 | -177.6 | -73.5 | -7.1 | 112.4 | E17 L19 A25 F306 N308 | E17-R21 HydrophobicContact CG-CG 4.47Å; E17-R21 WeakPolarHBondContact O-CB 3.15Å; E17-R21 VanDerWaalsContact O-CG 3.24Å; E17-R21 WeakPolarHBondContact O-CG 3.48Å; E17-R21 PolarHBondContact O-N 3.19Å; E17-R21 IonicContact OE1-CZ 2.72Å; E17-R21 VanDerWaalsContact OE1-CZ 3.3Å; E17-R21 IonicContact OE1-NE 2.98Å; E17-R21 PolarHBondContact OE1-NE 2.92Å; E17-R21 IonicContact OE1-NH2 3.33Å; E17-R21 PolarHBondContact OE1-NH2 3.27Å; L19-R21 VanDerWaalsContact C-N 3.29Å; L19-R21 PolarHBondContact O-N 3.33Å; R21-A25 PolarHBondContact O-N 3.15Å; R21-F306 PolarHBondContact NH1-O 3.41Å; R21-F306 VanDerWaalsContact NH1-O 3.11Å; R21-N308 PolarHBondContact NH2-O 3.5Å |
| 22 | G | 93.8 | Very high | 92.8 | Very high | 43 Ų | 43 | 44 Ų | 44 | 44% | 0.443 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.6 | -49.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G18 L19 V20 K24 A25 | G18-G22 PolarHBondContact O-N 2.99Å; L19-G22 CarbonylContact O-C 3.6Å; L19-G22 WeakPolarHBondContact O-CA 3.4Å; L19-G22 PolarHBondContact O-N 3.3Å; V20-G22 VanDerWaalsContact C-N 3.34Å; G22-K24 VanDerWaalsContact C-N 3.25Å; G22-K24 PolarHBondContact O-N 2.95Å; G22-A25 VanDerWaalsContact O-CB 3.24Å; G22-A25 WeakPolarHBondContact O-CB 3.02Å; G22-A25 PolarHBondContact O-N 2.96Å |
| 23 | L | 92.9 | Very high | 92.9 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 20% | 0.199 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -35.4 | 176.6 | -66.5 | 173.4 | 0 | 0 | 0 | 112.4 | L19 V20 A25 G26 E81 M85 F318 | L19-L23 HydrophobicContact CG-CD1 4.31Å; L19-L23 WeakPolarHBondContact O-CG 3.4Å; L19-L23 PolarHBondContact O-N 2.98Å; V20-L23 PolarHBondContact O-N 3.37Å; L23-A25 PolarHBondContact O-N 3.01Å; L23-G26 WeakPolarHBondContact O-CA 3.4Å; L23-G26 PolarHBondContact O-N 2.75Å; L23-E81 HydrophobicContact CD1-CB 4.3Å; L23-E81 HydrophobicContact CD1-CG 4.47Å; L23-E81 HydrophobicContact CD2-CG 4.35Å; L23-M85 HydrophobicContact CD1-SD 4.43Å; L23-F318 HydrophobicContact CB-CD2 4.31Å; L23-F318 HydrophobicContact CB-CE1 4.35Å; L23-F318 HydrophobicContact CB-CE2 3.46Å; L23-F318 VanDerWaalsContact CB-CE2 3.46Å; L23-F318 HydrophobicContact CB-CZ 3.48Å; L23-F318 VanDerWaalsContact CB-CZ 3.48Å; L23-F318 HydrophobicContact CD1-CE1 4.05Å; L23-F318 HydrophobicContact CD1-CZ 3.88Å; L23-F318 HydrophobicContact CG-CZ 4.25Å |
| 24 | K | 92.2 | Very high | 92.9 | Very high | 61 Ų | 61 | 43.4 Ų | 43.4 | 27% | 0.265 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.6 | -26.8 | 173.7 | 178.2 | -99.3 | 170.4 | -161.3 | 0 | 112.9 | V20 G22 G26 V27 F306 F318 F351 | V20-K24 WeakPolarHBondContact O-CB 3.24Å; V20-K24 PolarHBondContact O-N 2.8Å; G22-K24 VanDerWaalsContact C-N 3.25Å; G22-K24 PolarHBondContact O-N 2.95Å; K24-G26 PolarHBondContact O-N 3.17Å; K24-V27 WeakPolarHBondContact O-CG2 3.48Å; K24-V27 PolarHBondContact O-N 3.37Å; K24-F306 HydrophobicContact CB-CD1 4.44Å; K24-F306 HydrophobicContact CB-CE1 3.79Å; K24-F306 HydrophobicContact CB-CZ 4.05Å; K24-F306 HydrophobicContact CD-CD1 4.1Å; K24-F306 HydrophobicContact CD-CE1 4.28Å; K24-F306 HydrophobicContact CD-CG 4.41Å; K24-F306 HydrophobicContact CG-CD1 3.95Å; K24-F306 HydrophobicContact CG-CD2 4.44Å; K24-F306 HydrophobicContact CG-CE1 3.65Å; K24-F306 HydrophobicContact CG-CE2 4.18Å; K24-F306 HydrophobicContact CG-CG 4.33Å; K24-F306 HydrophobicContact CG-CZ 3.78Å; K24-F318 HydrophobicContact CB-CD2 4.35Å; K24-F351 HydrophobicContact CD-CZ 4.29Å; K24-F351 VanDerWaalsContact CE-CE1 3.48Å; K24-F351 HydrophobicContact CG-CE2 4.26Å; K24-F351 HydrophobicContact CG-CZ 4.15Å |
| 25 | A | 91.5 | Very high | 92.9 | Very high | 81 Ų | 81 | 45.6 Ų | 45.6 | 67% | 0.669 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -69.9 | -22.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R21 G22 L23 V27 | R21-A25 PolarHBondContact O-N 3.15Å; G22-A25 VanDerWaalsContact O-CB 3.24Å; G22-A25 WeakPolarHBondContact O-CB 3.02Å; G22-A25 PolarHBondContact O-N 2.96Å; L23-A25 PolarHBondContact O-N 3.01Å; A25-V27 VanDerWaalsContact C-N 3.29Å; A25-V27 PolarHBondContact O-N 3.05Å |
| 26 | G | 90.7 | Very high | 92.8 | Very high | 10 Ų | 10 | 39.2 Ų | 39.2 | 10% | 0.103 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 13.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L23 K24 D53 K322 | L23-G26 WeakPolarHBondContact O-CA 3.4Å; L23-G26 PolarHBondContact O-N 2.75Å; K24-G26 PolarHBondContact O-N 3.17Å; G26-D53 WeakPolarHBondContact CA-OD2 3.18Å; G26-D53 PolarHBondContact N-OD2 2.97Å; G26-K322 PolarHBondContact O-NZ 3.17Å |
| 27 | V | 91.9 | Very high | 92.6 | Very high | 11 Ų | 11 | 40 Ų | 40 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -80.1 | 131.6 | 170.5 | 177.7 | 0 | 0 | 0 | 0 | 108.6 | K24 A25 S29 K322 E325 I350 F351 | K24-V27 WeakPolarHBondContact O-CG2 3.48Å; K24-V27 PolarHBondContact O-N 3.37Å; A25-V27 VanDerWaalsContact C-N 3.29Å; A25-V27 PolarHBondContact O-N 3.05Å; V27-S29 PolarHBondContact O-N 3.4Å; V27-K322 HydrophobicContact CG2-CD 4.2Å; V27-E325 VanDerWaalsContact CA-OE1 3.25Å; V27-E325 WeakPolarHBondContact CA-OE1 3.5Å; V27-I350 HydrophobicContact CG1-CB 4.2Å; V27-I350 HydrophobicContact CG1-CD1 3.95Å; V27-I350 HydrophobicContact CG1-CG2 4.12Å; V27-F351 HydrophobicContact CB-CD2 3.81Å; V27-F351 HydrophobicContact CB-CE2 3.87Å; V27-F351 HydrophobicContact CG1-CD2 3.63Å; V27-F351 HydrophobicContact CG1-CE2 3.83Å; V27-F351 HydrophobicContact CG2-CE2 4.17Å |
| 28 | L | 92.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -51.5 | 126 | -179.9 | -65.4 | -175.4 | 0 | 0 | 0 | 110.7 | D32 Y33 L36 L49 T52 Y54 E325 I329 | L28-D32 HydrophobicContact CB-CB 4.11Å; L28-D32 HydrophobicContact CD2-CB 3.91Å; L28-D32 HydrophobicContact CG-CB 4.49Å; L28-Y33 HydrophobicContact CB-CD2 4.35Å; L28-Y33 HydrophobicContact CB-CE2 3.83Å; L28-Y33 HydrophobicContact CD1-CE1 4.17Å; L28-Y33 WeakPolarHBondContact O-CE2 3.39Å; L28-L36 HydrophobicContact CD1-CD1 3.77Å; L28-L49 HydrophobicContact CD1-CD2 4.26Å; L28-T52 HydrophobicContact CD2-CG2 3.61Å; L28-Y54 HydrophobicContact CD1-CE2 4.44Å; L28-Y54 HydrophobicContact CD2-CD2 4.43Å; L28-Y54 HydrophobicContact CD2-CE2 4.39Å; L28-Y54 HydrophobicContact CG-CE2 4.27Å; L28-E325 HydrophobicContact CB-CG 4.46Å; L28-E325 WeakPolarHBondContact CB-OE1 2.97Å; L28-E325 HydrophobicContact CD1-CG 4.13Å; L28-E325 HydrophobicContact CG-CG 4.16Å; L28-E325 VanDerWaalsContact CG-OE1 3.28Å; L28-E325 WeakPolarHBondContact CG-OE1 3.09Å; L28-E325 PolarHBondContact N-OE1 3.25Å; L28-I329 HydrophobicContact CD1-CD1 3.77Å; L28-I329 HydrophobicContact CD1-CG1 3.83Å |
| 29 | S | 92.2 | Very high | 92.4 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 31% | 0.308 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 165.9 | 174.8 | 70.9 | 0 | 0 | 0 | 0 | 111.1 | V27 A31 D32 Y33 | V27-S29 PolarHBondContact O-N 3.4Å; S29-A31 PolarHBondContact O-N 3.46Å; S29-A31 PolarHBondContact OG-N 2.63Å; S29-D32 WeakPolarHBondContact CB-OD2 3.3Å; S29-D32 PolarHBondContact N-OD2 2.83Å; S29-D32 WeakPolarHBondContact O-CB 3.45Å; S29-D32 PolarHBondContact O-N 3.04Å; S29-D32 VanDerWaalsContact OG-CG 3.31Å; S29-D32 PolarHBondContact OG-N 2.79Å; S29-D32 PolarHBondContact OG-OD2 3.31Å; S29-Y33 VanDerWaalsContact O-CD2 3.27Å; S29-Y33 WeakPolarHBondContact O-CD2 3.42Å; S29-Y33 PolarHBondContact O-N 3.3Å; S29-Y33 VanDerWaalsContact O-N 3.15Å |
| 30 | Q | 90.2 | Very high | 92.2 | Very high | 115 Ų | 115 | 49.2 Ų | 49.2 | 54% | 0.537 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -51.9 | -36.2 | 169.7 | -170.6 | 177.2 | 12.2 | 0 | 0 | 113.1 | Y33 L34 F351 | Q30-Y33 PolarHBondContact O-N 2.71Å; Q30-L34 WeakPolarHBondContact O-CG 3.14Å; Q30-L34 PolarHBondContact O-N 3.32Å; Q30-L34 VanDerWaalsContact O-N 3.09Å; Q30-F351 PolarHBondContact N-O 3.23Å |
| 31 | A | 91.4 | Very high | 92 | Very high | 58 Ų | 58 | 52.3 Ų | 52.3 | 48% | 0.479 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67 | -37.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S29 L34 N35 | S29-A31 PolarHBondContact O-N 3.46Å; S29-A31 PolarHBondContact OG-N 2.63Å; A31-L34 PolarHBondContact O-N 2.83Å; A31-N35 PolarHBondContact O-N 3.17Å; A31-N35 VanDerWaalsContact O-N 3.15Å; A31-N35 PolarHBondContact O-ND2 3.34Å |
| 32 | D | 92.5 | Very high | 91.9 | Very high | 46 Ų | 46 | 50.4 Ų | 50.4 | 25% | 0.246 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.9 | -45.1 | 176.7 | -57.3 | -53.2 | 0 | 0 | 0 | 110.8 | L28 S29 L34 N35 L36 | L28-D32 HydrophobicContact CB-CB 4.11Å; L28-D32 HydrophobicContact CD2-CB 3.91Å; L28-D32 HydrophobicContact CG-CB 4.49Å; S29-D32 WeakPolarHBondContact CB-OD2 3.3Å; S29-D32 PolarHBondContact N-OD2 2.83Å; S29-D32 WeakPolarHBondContact O-CB 3.45Å; S29-D32 PolarHBondContact O-N 3.04Å; S29-D32 VanDerWaalsContact OG-CG 3.31Å; S29-D32 PolarHBondContact OG-N 2.79Å; S29-D32 PolarHBondContact OG-OD2 3.31Å; D32-L34 VanDerWaalsContact C-N 3.32Å; D32-L34 PolarHBondContact O-N 3.37Å; D32-N35 WeakPolarHBondContact O-CB 3.41Å; D32-N35 PolarHBondContact O-N 3.01Å; D32-N35 VanDerWaalsContact O-N 3.11Å; D32-L36 WeakPolarHBondContact O-CG 3.31Å; D32-L36 PolarHBondContact O-N 3.33Å |
| 33 | Y | 92.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 175.2 | -74 | -68.1 | 0 | 0 | 0 | 112.7 | L28 S29 Q30 N35 L36 V37 N328 I332 Y347 | L28-Y33 HydrophobicContact CB-CD2 4.35Å; L28-Y33 HydrophobicContact CB-CE2 3.83Å; L28-Y33 HydrophobicContact CD1-CE1 4.17Å; L28-Y33 WeakPolarHBondContact O-CE2 3.39Å; S29-Y33 VanDerWaalsContact O-CD2 3.27Å; S29-Y33 WeakPolarHBondContact O-CD2 3.42Å; S29-Y33 PolarHBondContact O-N 3.3Å; S29-Y33 VanDerWaalsContact O-N 3.15Å; Q30-Y33 PolarHBondContact O-N 2.71Å; Y33-N35 VanDerWaalsContact C-N 3.27Å; Y33-N35 PolarHBondContact O-N 3.1Å; Y33-L36 HydrophobicContact CD1-CD1 4.38Å; Y33-L36 PolarHBondContact O-N 3.4Å; Y33-L36 VanDerWaalsContact O-N 3.15Å; Y33-V37 VanDerWaalsContact O-CG2 3.32Å; Y33-V37 WeakPolarHBondContact O-CG2 3.22Å; Y33-V37 PolarHBondContact O-N 3.31Å; Y33-N328 HydrophobicContact CD1-CB 4.45Å; Y33-N328 HydrophobicContact CE1-CB 3.48Å; Y33-N328 VanDerWaalsContact CE1-CB 3.48Å; Y33-N328 PolarHBondContact OH-ND2 3.36Å; Y33-I332 HydrophobicContact CD1-CD1 3.87Å; Y33-I332 HydrophobicContact CE1-CD1 4.5Å; Y33-Y347 VanDerWaalsContact CB-CE2 3.47Å; Y33-Y347 AromaticContact CD1-CD2 3.89Å; Y33-Y347 HydrophobicContact CD1-CD2 3.89Å; Y33-Y347 AromaticContact CD1-CE2 3.99Å; Y33-Y347 HydrophobicContact CD1-CE2 3.99Å; Y33-Y347 HydrophobicContact CD1-CG 4.43Å; Y33-Y347 HydrophobicContact CD2-CD2 4.36Å; Y33-Y347 AromaticContact CD2-CE2 3.97Å; Y33-Y347 HydrophobicContact CD2-CE2 3.97Å; Y33-Y347 HydrophobicContact CE1-CD2 4.33Å; Y33-Y347 AromaticContact CG-CD2 3.91Å; Y33-Y347 HydrophobicContact CG-CD2 3.91Å; Y33-Y347 AromaticContact CG-CE2 3.54Å; Y33-Y347 HydrophobicContact CG-CE2 3.54Å |
| 34 | L | 91.5 | Very high | 91.7 | Very high | 82 Ų | 82 | 52.1 Ų | 52.1 | 43% | 0.429 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.9 | -36.3 | 176.1 | -71.5 | 172.3 | 0 | 0 | 0 | 112.3 | Q30 A31 D32 Q38 | Q30-L34 WeakPolarHBondContact O-CG 3.14Å; Q30-L34 PolarHBondContact O-N 3.32Å; Q30-L34 VanDerWaalsContact O-N 3.09Å; A31-L34 PolarHBondContact O-N 2.83Å; D32-L34 VanDerWaalsContact C-N 3.32Å; D32-L34 PolarHBondContact O-N 3.37Å; L34-Q38 VanDerWaalsContact O-CG 3.32Å; L34-Q38 WeakPolarHBondContact O-CG 3.16Å; L34-Q38 PolarHBondContact O-N 2.95Å; L34-Q38 PolarHBondContact O-NE2 3.22Å |
| 35 | N | 92.6 | Very high | 91.7 | Very high | 66 Ų | 66 | 49.2 Ų | 49.2 | 35% | 0.353 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.5 | -41.5 | 174.2 | -65 | -33.9 | 0 | 0 | 0 | 111.4 | A31 D32 Y33 V37 Q38 C39 | A31-N35 PolarHBondContact O-N 3.17Å; A31-N35 VanDerWaalsContact O-N 3.15Å; A31-N35 PolarHBondContact O-ND2 3.34Å; D32-N35 WeakPolarHBondContact O-CB 3.41Å; D32-N35 PolarHBondContact O-N 3.01Å; D32-N35 VanDerWaalsContact O-N 3.11Å; Y33-N35 VanDerWaalsContact C-N 3.27Å; Y33-N35 PolarHBondContact O-N 3.1Å; N35-V37 PolarHBondContact O-N 3.49Å; N35-Q38 PolarHBondContact O-N 3.29Å; N35-C39 PolarHBondContact O-SG 3.17Å |
| 36 | L | 92.2 | Very high | 91.6 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.6 | -40.7 | 178.1 | -65.6 | 176.8 | 0 | 0 | 0 | 112.2 | L28 D32 Y33 Q38 C39 L45 H48 L49 I329 I332 | L28-L36 HydrophobicContact CD1-CD1 3.77Å; D32-L36 WeakPolarHBondContact O-CG 3.31Å; D32-L36 PolarHBondContact O-N 3.33Å; Y33-L36 HydrophobicContact CD1-CD1 4.38Å; Y33-L36 PolarHBondContact O-N 3.4Å; Y33-L36 VanDerWaalsContact O-N 3.15Å; L36-Q38 PolarHBondContact O-N 2.84Å; L36-C39 VanDerWaalsContact O-CB 3.26Å; L36-C39 WeakPolarHBondContact O-CB 3.49Å; L36-C39 PolarHBondContact O-N 3.44Å; L36-C39 PolarHBondContact O-SG 2.96Å; L36-C39 VanDerWaalsContact O-SG 3.38Å; L36-L45 HydrophobicContact CD2-CG 4.15Å; L36-H48 HydrophobicContact CD2-CB 3.88Å; L36-L49 HydrophobicContact CD1-CD2 4.16Å; L36-L49 HydrophobicContact CD2-CD2 4.02Å; L36-L49 HydrophobicContact CD2-CG 4.13Å; L36-I329 HydrophobicContact CD1-CG1 4.47Å; L36-I332 HydrophobicContact CB-CD1 4.18Å; L36-I332 HydrophobicContact CB-CG2 4.22Å |
| 37 | V | 91.9 | Very high | 91.6 | Very high | 19 Ų | 19 | 51 Ų | 51 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.3 | -29.4 | 177 | 169.2 | 0 | 0 | 0 | 0 | 112.4 | Y33 N35 C39 I332 I344 Y347 | Y33-V37 VanDerWaalsContact O-CG2 3.32Å; Y33-V37 WeakPolarHBondContact O-CG2 3.22Å; Y33-V37 PolarHBondContact O-N 3.31Å; N35-V37 PolarHBondContact O-N 3.49Å; V37-C39 VanDerWaalsContact C-N 3.33Å; V37-I332 HydrophobicContact CG2-CD1 4.23Å; V37-I344 HydrophobicContact CG1-CD1 4.2Å; V37-I344 HydrophobicContact CG1-CG1 4.26Å; V37-I344 HydrophobicContact CG1-CG2 3.67Å; V37-I344 HydrophobicContact CG2-CG1 4.27Å; V37-Y347 HydrophobicContact CG2-CD1 4.36Å; V37-Y347 HydrophobicContact CG2-CE1 3.85Å |
| 38 | Q | 91.3 | Very high | 91.6 | Very high | 135 Ų | 135 | 54 Ų | 54 | 63% | 0.631 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -78.3 | -15.9 | -179.9 | -69.8 | 172.1 | 26.7 | 0 | 0 | 113.5 | L34 N35 L36 | L34-Q38 VanDerWaalsContact O-CG 3.32Å; L34-Q38 WeakPolarHBondContact O-CG 3.16Å; L34-Q38 PolarHBondContact O-N 2.95Å; L34-Q38 PolarHBondContact O-NE2 3.22Å; N35-Q38 PolarHBondContact O-N 3.29Å; L36-Q38 PolarHBondContact O-N 2.84Å |
| 39 | C | 91.7 | Very high | 91.6 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 3% | 0.027 | 28% | 0.283 | C | S | . | . | trans | -57.5 | 141.1 | -178.7 | -66.5 | 0 | 0 | 0 | 0 | 112.3 | N35 L36 V37 D44 L45 H48 I336 R341 | N35-C39 PolarHBondContact O-SG 3.17Å; L36-C39 VanDerWaalsContact O-CB 3.26Å; L36-C39 WeakPolarHBondContact O-CB 3.49Å; L36-C39 PolarHBondContact O-N 3.44Å; L36-C39 PolarHBondContact O-SG 2.96Å; L36-C39 VanDerWaalsContact O-SG 3.38Å; V37-C39 VanDerWaalsContact C-N 3.33Å; C39-D44 HydrophobicContact CB-CB 3.91Å; C39-L45 HydrophobicContact CB-CB 4.33Å; C39-H48 PolarHBondContact SG-CD2 2.91Å; C39-I336 HydrophobicContact CB-CD1 3.75Å; C39-R341 PolarHBondContact O-NH2 2.9Å | ||
| 40 | E | 90.7 | Very high | 91.5 | Very high | 153 Ų | 153 | 54.4 Ų | 54.4 | 72% | 0.715 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -94.9 | -31.6 | 177.9 | -67.5 | -168.7 | 176.6 | 0 | 0 | 113.1 | D44 | E40-D44 PolarHBondContact N-OD2 3.28Š|
| 41 | T | 92 | Very high | 91.5 | Very high | 64 Ų | 64 | 53.4 Ų | 53.4 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -129.5 | 163.8 | -177.8 | 69.6 | 0 | 0 | 0 | 0 | 111.3 | E43 D44 L45 | T41-E43 PolarHBondContact O-N 3.2Å; T41-E43 PolarHBondContact OG1-N 2.92Å; T41-D44 PolarHBondContact N-OD2 3.27Å; T41-D44 PolarHBondContact O-N 3.41Å; T41-D44 PolarHBondContact OG1-N 2.98Å; T41-D44 PolarHBondContact OG1-OD2 2.9Å; T41-L45 PolarHBondContact O-N 3.38Å |
| 42 | L | 91.4 | Very high | 91.5 | Very high | 23 Ų | 23 | 51.9 Ų | 51.9 | 12% | 0.12 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.3 | -23.5 | 172.8 | -64.9 | -179.2 | 0 | 0 | 0 | 112.4 | K46 L65 V67 I70 A333 I336 A337 | L42-K46 WeakPolarHBondContact O-CB 3.43Å; L42-K46 PolarHBondContact O-N 3.47Å; L42-L65 HydrophobicContact CB-CB 4.39Å; L42-L65 HydrophobicContact CB-CD2 4.26Å; L42-L65 VanDerWaalsContact CD1-O 3.28Å; L42-L65 WeakPolarHBondContact CD1-O 3.33Å; L42-V67 HydrophobicContact CD1-CG2 4.24Å; L42-I70 HydrophobicContact CD2-CD1 4.15Å; L42-A333 HydrophobicContact CD2-CB 3.84Å; L42-I336 HydrophobicContact CD2-CB 4.43Å; L42-I336 HydrophobicContact CD2-CG2 4.26Å; L42-A337 HydrophobicContact CD1-CB 4.31Å |
| 43 | E | 90 | Very high | 91.4 | Very high | 63 Ų | 63 | 54.8 Ų | 54.8 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -71.9 | -37.4 | 174.3 | -62.8 | -66.5 | 172 | 0 | 0 | 111.1 | T41 L45 K46 L47 S63 | T41-E43 PolarHBondContact O-N 3.2Å; T41-E43 PolarHBondContact OG1-N 2.92Å; E43-L45 VanDerWaalsContact C-N 3.35Å; E43-K46 WeakPolarHBondContact O-CB 3.21Å; E43-K46 PolarHBondContact O-N 3.21Å; E43-L47 WeakPolarHBondContact O-CG 3.27Å; E43-L47 PolarHBondContact O-N 2.98Å; E43-S63 PolarHBondContact OE1-OG 3.23Å |
| 44 | D | 91.7 | Very high | 91.2 | Very high | 54 Ų | 54 | 55.2 Ų | 55.2 | 29% | 0.289 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 172.7 | -54.2 | -42.3 | 0 | 0 | 0 | 110.7 | C39 E40 T41 K46 L47 H48 | C39-D44 HydrophobicContact CB-CB 3.91Å; E40-D44 PolarHBondContact N-OD2 3.28Å; T41-D44 PolarHBondContact N-OD2 3.27Å; T41-D44 PolarHBondContact O-N 3.41Å; T41-D44 PolarHBondContact OG1-N 2.98Å; T41-D44 PolarHBondContact OG1-OD2 2.9Å; D44-K46 VanDerWaalsContact C-N 3.32Å; D44-K46 PolarHBondContact O-N 3.34Å; D44-L47 PolarHBondContact O-N 3.46Å; D44-H48 PolarHBondContact O-CD2 3.11Å; D44-H48 VanDerWaalsContact O-CD2 3.28Å; D44-H48 PolarHBondContact O-N 3.04Å |
| 45 | L | 91.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 175.5 | -178.7 | 147.7 | 0 | 0 | 0 | 111.2 | L36 C39 T41 E43 H48 L49 I70 I329 I332 A333 I336 | L36-L45 HydrophobicContact CD2-CG 4.15Å; C39-L45 HydrophobicContact CB-CB 4.33Å; T41-L45 PolarHBondContact O-N 3.38Å; E43-L45 VanDerWaalsContact C-N 3.35Å; L45-H48 PolarHBondContact O-N 2.89Å; L45-L49 HydrophobicContact CD2-CD1 3.54Å; L45-L49 HydrophobicContact CD2-CG 4.24Å; L45-L49 HydrophobicContact CG-CD1 4.45Å; L45-L49 WeakPolarHBondContact O-CG 3.41Å; L45-L49 PolarHBondContact O-N 2.94Å; L45-I70 HydrophobicContact CD2-CD1 4.1Å; L45-I329 HydrophobicContact CD2-CG2 4.48Å; L45-I332 HydrophobicContact CD1-CG2 4.07Å; L45-A333 HydrophobicContact CD1-CB 4.03Å; L45-I336 HydrophobicContact CB-CD1 4.48Å; L45-I336 HydrophobicContact CD1-CD1 3.79Å |
| 46 | K | 91 | Very high | 90.8 | Very high | 22 Ų | 22 | 55.1 Ų | 55.1 | 10% | 0.096 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 174.5 | 170.6 | 176.5 | 171 | 179.8 | 0 | 112 | L42 E43 D44 H48 L49 Q50 L58 L65 | L42-K46 WeakPolarHBondContact O-CB 3.43Å; L42-K46 PolarHBondContact O-N 3.47Å; E43-K46 WeakPolarHBondContact O-CB 3.21Å; E43-K46 PolarHBondContact O-N 3.21Å; D44-K46 VanDerWaalsContact C-N 3.32Å; D44-K46 PolarHBondContact O-N 3.34Å; K46-H48 PolarHBondContact O-N 2.91Å; K46-L49 PolarHBondContact O-N 2.92Å; K46-Q50 VanDerWaalsContact O-CG 3.32Å; K46-Q50 WeakPolarHBondContact O-CG 3.45Å; K46-Q50 PolarHBondContact O-N 2.67Å; K46-L58 HydrophobicContact CB-CD1 4.03Å; K46-L58 HydrophobicContact CD-CB 3.87Å; K46-L58 HydrophobicContact CD-CD1 4.27Å; K46-L58 WeakPolarHBondContact CE-O 3.49Å; K46-L58 HydrophobicContact CG-CB 3.96Å; K46-L58 HydrophobicContact CG-CD1 3.86Å; K46-L58 PolarHBondContact NZ-O 2.77Å; K46-L65 HydrophobicContact CB-CD2 4.09Å; K46-L65 HydrophobicContact CD-CD2 4.22Å |
| 47 | L | 90.8 | Very high | 90.6 | Very high | 107 Ų | 107 | 56.7 Ų | 56.7 | 56% | 0.56 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.4 | -41.6 | 178.3 | -72.4 | 170.6 | 0 | 0 | 0 | 112 | E43 D44 Q50 S51 | E43-L47 WeakPolarHBondContact O-CG 3.27Å; E43-L47 PolarHBondContact O-N 2.98Å; D44-L47 PolarHBondContact O-N 3.46Å; L47-Q50 WeakPolarHBondContact O-CB 3.46Å; L47-Q50 PolarHBondContact O-N 3.24Å; L47-S51 PolarHBondContact O-N 3.26Å |
| 48 | H | 91.4 | Very high | 90.2 | Very high | 73 Ų | 73 | 55.8 Ų | 55.8 | 34% | 0.338 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.5 | -45.9 | 175.8 | -81.5 | -67.3 | 0 | 0 | 0 | 111.8 | L36 C39 D44 L45 K46 Q50 S51 | L36-H48 HydrophobicContact CD2-CB 3.88Å; C39-H48 PolarHBondContact SG-CD2 2.91Å; D44-H48 PolarHBondContact O-CD2 3.11Å; D44-H48 VanDerWaalsContact O-CD2 3.28Å; D44-H48 PolarHBondContact O-N 3.04Å; L45-H48 PolarHBondContact O-N 2.89Å; K46-H48 PolarHBondContact O-N 2.91Å; H48-Q50 PolarHBondContact O-N 3.21Å; H48-S51 PolarHBondContact O-N 3.24Å; H48-S51 PolarHBondContact O-OG 3.35Å |
| 49 | L | 91.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.9 | -34.3 | 176.3 | -68.5 | 177.3 | 0 | 0 | 0 | 112.2 | L28 L36 L45 K46 S51 T52 Y54 F57 I329 | L28-L49 HydrophobicContact CD1-CD2 4.26Å; L36-L49 HydrophobicContact CD1-CD2 4.16Å; L36-L49 HydrophobicContact CD2-CD2 4.02Å; L36-L49 HydrophobicContact CD2-CG 4.13Å; L45-L49 HydrophobicContact CD2-CD1 3.54Å; L45-L49 HydrophobicContact CD2-CG 4.24Å; L45-L49 HydrophobicContact CG-CD1 4.45Å; L45-L49 WeakPolarHBondContact O-CG 3.41Å; L45-L49 PolarHBondContact O-N 2.94Å; K46-L49 PolarHBondContact O-N 2.92Å; L49-S51 PolarHBondContact O-N 2.93Å; L49-T52 PolarHBondContact O-N 3.4Å; L49-T52 PolarHBondContact O-OG1 3.08Å; L49-Y54 HydrophobicContact CD2-CD2 4.11Å; L49-Y54 WeakPolarHBondContact O-CB 3.41Å; L49-F57 HydrophobicContact CB-CE1 3.9Å; L49-F57 HydrophobicContact CB-CZ 4.5Å; L49-F57 HydrophobicContact CD1-CE1 4.09Å; L49-F57 HydrophobicContact CD1-CZ 3.84Å; L49-I329 HydrophobicContact CD1-CG2 3.92Å; L49-I329 HydrophobicContact CD2-CD1 4.07Å; L49-I329 HydrophobicContact CD2-CG1 4.44Å |
| 50 | Q | 90.7 | Very high | 89.1 | Confident | 54 Ų | 54 | 59.4 Ų | 59.4 | 25% | 0.252 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.6 | -27.6 | 174.7 | -76.7 | 174.8 | -13.5 | 0 | 0 | 114.1 | K46 L47 H48 T52 G55 | K46-Q50 VanDerWaalsContact O-CG 3.32Å; K46-Q50 WeakPolarHBondContact O-CG 3.45Å; K46-Q50 PolarHBondContact O-N 2.67Å; L47-Q50 WeakPolarHBondContact O-CB 3.46Å; L47-Q50 PolarHBondContact O-N 3.24Å; H48-Q50 PolarHBondContact O-N 3.21Å; Q50-T52 VanDerWaalsContact C-N 3.26Å; Q50-G55 WeakPolarHBondContact CA-O 3.31Å; Q50-G55 WeakPolarHBondContact CG-O 3.41Å |
| 51 | S | 90.3 | Very high | 88.8 | Confident | 95 Ų | 95 | 54.1 Ų | 54.1 | 66% | 0.664 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -8.2 | 174.8 | 69 | 0 | 0 | 0 | 0 | 114.4 | L47 H48 L49 | L47-S51 PolarHBondContact O-N 3.26Å; H48-S51 PolarHBondContact O-N 3.24Å; H48-S51 PolarHBondContact O-OG 3.35Å; L49-S51 PolarHBondContact O-N 2.93Å |
| 52 | T | 91.6 | Very high | 88.1 | Confident | 25 Ų | 25 | 55 Ų | 55 | 15% | 0.153 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -99.9 | -178.4 | 177.4 | 72.5 | 0 | 0 | 0 | 0 | 110.5 | L28 L49 Q50 Y54 G55 | L28-T52 HydrophobicContact CD2-CG2 3.61Å; L49-T52 PolarHBondContact O-N 3.4Å; L49-T52 PolarHBondContact O-OG1 3.08Å; Q50-T52 VanDerWaalsContact C-N 3.26Å; T52-Y54 PolarHBondContact O-N 3.24Å; T52-Y54 WeakPolarHBondContact OG1-CD2 3.49Å; T52-Y54 PolarHBondContact OG1-N 3.45Å; T52-G55 PolarHBondContact O-N 2.64Å |
| 53 | D | 89.5 | Confident | 87.5 | Confident | 108 Ų | 108 | 58 Ų | 58 | 58% | 0.578 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -8.6 | 176.3 | -79.3 | 3.3 | 0 | 0 | 0 | 113.9 | G26 G55 K77 | G26-D53 WeakPolarHBondContact CA-OD2 3.18Å; G26-D53 PolarHBondContact N-OD2 2.97Å; D53-G55 VanDerWaalsContact C-N 3.27Å; D53-G55 PolarHBondContact O-N 3.28Å; D53-K77 PolarHBondContact O-NZ 2.9Å |
| 54 | Y | 89.3 | Confident | 87.2 | Confident | 8 Ų | 8 | 60.5 Ų | 60.5 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -36.2 | 166.1 | -79.8 | -78.1 | 0 | 0 | 0 | 112.2 | L28 L49 T52 F57 L74 K77 E325 I329 | L28-Y54 HydrophobicContact CD1-CE2 4.44Å; L28-Y54 HydrophobicContact CD2-CD2 4.43Å; L28-Y54 HydrophobicContact CD2-CE2 4.39Å; L28-Y54 HydrophobicContact CG-CE2 4.27Å; L49-Y54 HydrophobicContact CD2-CD2 4.11Å; L49-Y54 WeakPolarHBondContact O-CB 3.41Å; T52-Y54 PolarHBondContact O-N 3.24Å; T52-Y54 WeakPolarHBondContact OG1-CD2 3.49Å; T52-Y54 PolarHBondContact OG1-N 3.45Å; Y54-F57 HydrophobicContact CD1-CD1 4.24Å; Y54-F57 HydrophobicContact CD1-CE1 4.15Å; Y54-F57 HydrophobicContact CD1-CE2 4.44Å; Y54-F57 HydrophobicContact CD1-CG 4.43Å; Y54-F57 HydrophobicContact CD1-CZ 4.24Å; Y54-F57 HydrophobicContact CG-CD1 4.4Å; Y54-F57 HydrophobicContact CG-CE1 4.2Å; Y54-L74 HydrophobicContact CD1-CD2 3.73Å; Y54-L74 HydrophobicContact CE1-CD2 3.14Å; Y54-K77 HydrophobicContact CD1-CD 3.51Å; Y54-K77 HydrophobicContact CE1-CD 3.8Å; Y54-K77 HydrophobicContact CG-CD 4.47Å; Y54-K77 PolarHBondContact O-NZ 3.37Å; Y54-E325 PolarHBondContact OH-OE2 3.42Å; Y54-I329 HydrophobicContact CE2-CD1 3.72Å |
| 55 | G | 88.9 | Confident | 86.9 | Confident | 22 Ų | 22 | 58.7 Ų | 58.7 | 23% | 0.227 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | -142.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q50 T52 D53 F57 | Q50-G55 WeakPolarHBondContact CA-O 3.31Å; Q50-G55 WeakPolarHBondContact CG-O 3.41Å; T52-G55 PolarHBondContact O-N 2.64Å; D53-G55 VanDerWaalsContact C-N 3.27Å; D53-G55 PolarHBondContact O-N 3.28Å; G55-F57 PolarHBondContact O-N 3.37Å |
| 56 | N | 87.4 | Confident | 86.9 | Confident | 124 Ų | 124 | 61.8 Ų | 61.8 | 66% | 0.663 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 30.9 | -173.2 | -69.9 | -29 | 0 | 0 | 0 | 114.7 | L58 A59 | N56-L58 PolarHBondContact O-N 3.45Å; N56-A59 HydrophobicContact CB-CB 3.97Å; N56-A59 VanDerWaalsContact O-CB 3.27Å; N56-A59 WeakPolarHBondContact O-CB 3.06Å; N56-A59 PolarHBondContact O-N 3.1Å; N56-A59 VanDerWaalsContact O-N 3.07Å |
| 57 | F | 86.9 | Confident | 86.9 | Confident | 38 Ų | 38 | 61.9 Ų | 61.9 | 17% | 0.167 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -25 | -175 | 82.6 | -68.5 | 0 | 0 | 0 | 114.1 | L49 Y54 G55 R73 L74 | L49-F57 HydrophobicContact CB-CE1 3.9Å; L49-F57 HydrophobicContact CB-CZ 4.5Å; L49-F57 HydrophobicContact CD1-CE1 4.09Å; L49-F57 HydrophobicContact CD1-CZ 3.84Å; Y54-F57 HydrophobicContact CD1-CD1 4.24Å; Y54-F57 HydrophobicContact CD1-CE1 4.15Å; Y54-F57 HydrophobicContact CD1-CE2 4.44Å; Y54-F57 HydrophobicContact CD1-CG 4.43Å; Y54-F57 HydrophobicContact CD1-CZ 4.24Å; Y54-F57 HydrophobicContact CG-CD1 4.4Å; Y54-F57 HydrophobicContact CG-CE1 4.2Å; G55-F57 PolarHBondContact O-N 3.37Å; F57-R73 HydrophobicContact CD2-CB 3.79Å; F57-R73 HydrophobicContact CE2-CB 3.98Å; F57-L74 HydrophobicContact CE2-CD2 3.78Å; F57-L74 HydrophobicContact CE2-CG 4.09Å; F57-L74 HydrophobicContact CZ-CD2 3.94Å |
| 58 | L | 84 | Confident | 86.9 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 11 | 176.5 | -65.8 | 171.7 | 0 | 0 | 0 | 113.8 | K46 N56 N60 E61 L65 I70 R73 | K46-L58 HydrophobicContact CB-CD1 4.03Å; K46-L58 HydrophobicContact CD-CB 3.87Å; K46-L58 HydrophobicContact CD-CD1 4.27Å; K46-L58 WeakPolarHBondContact CE-O 3.49Å; K46-L58 HydrophobicContact CG-CB 3.96Å; K46-L58 HydrophobicContact CG-CD1 3.86Å; K46-L58 PolarHBondContact NZ-O 2.77Å; N56-L58 PolarHBondContact O-N 3.45Å; L58-N60 VanDerWaalsContact C-N 3.28Å; L58-N60 PolarHBondContact O-N 2.89Å; L58-E61 HydrophobicContact CD2-CG 4.13Å; L58-E61 PolarHBondContact O-N 2.96Å; L58-L65 HydrophobicContact CD1-CD2 4.18Å; L58-L65 HydrophobicContact CD2-CD1 4.32Å; L58-I70 HydrophobicContact CD1-CG1 4.42Å; L58-R73 HydrophobicContact CD2-CB 3.89Å; L58-R73 HydrophobicContact CD2-CG 3.97Å |
| 59 | A | 79.7 | Confident | 86.9 | Confident | 54 Ų | 54 | 58.6 Ų | 58.6 | 45% | 0.446 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -31.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N56 | N56-A59 HydrophobicContact CB-CB 3.97Å; N56-A59 VanDerWaalsContact O-CB 3.27Å; N56-A59 WeakPolarHBondContact O-CB 3.06Å; N56-A59 PolarHBondContact O-N 3.1Å; N56-A59 VanDerWaalsContact O-N 3.07Å |
| 60 | N | 81.3 | Confident | 86.9 | Confident | 160 Ų | 160 | 58.6 Ų | 58.6 | 86% | 0.856 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -3.1 | -177 | -64.4 | -28.5 | 0 | 0 | 0 | 113.9 | L58 | L58-N60 VanDerWaalsContact C-N 3.28Å; L58-N60 PolarHBondContact O-N 2.89Å |
| 61 | E | 83 | Confident | 87 | Confident | 42 Ų | 42 | 57.9 Ų | 57.9 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 126.9 | -178.6 | -66.5 | -55.5 | 140.4 | 0 | 0 | 111.5 | L58 L65 V69 R73 | L58-E61 HydrophobicContact CD2-CG 4.13Å; L58-E61 PolarHBondContact O-N 2.96Å; E61-L65 HydrophobicContact CB-CD1 4.18Å; E61-V69 HydrophobicContact CB-CG1 4.3Å; E61-V69 HydrophobicContact CG-CG1 3.64Å; E61-V69 WeakPolarHBondContact OE2-CG1 3.4Å; E61-R73 HydrophobicContact CG-CG 4.49Å; E61-R73 IonicContact OE1-CZ 3.88Å; E61-R73 IonicContact OE1-NE 2.75Å; E61-R73 PolarHBondContact OE1-NE 3.43Å; E61-R73 IonicContact OE1-NH2 3.81Å; E61-R73 PolarHBondContact OE1-NH2 3.41Å |
| 62 | A | 78.3 | Confident | 87 | Confident | 84 Ų | 84 | 57.1 Ų | 57.1 | 69% | 0.694 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -75 | 140.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 63 | S | 78.7 | Confident | 87 | Confident | 84 Ų | 84 | 60 Ų | 60 | 59% | 0.587 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -70.7 | 145.9 | 171 | -56.1 | 0 | 0 | 0 | 0 | 110.7 | E43 | E43-S63 PolarHBondContact OE1-OG 3.23Š|
| 64 | P | 82.6 | Confident | 87.1 | Confident | 116 Ų | 116 | 54.9 Ų | 54.9 | 75% | 0.753 | 33% | 0.331 | S | S | * | . | S | Bend | cis | -80.7 | 132.5 | 4.4 | 32 | -33.5 | 0 | 0 | 0 | 112.8 | ||
| 65 | L | 87.1 | Confident | 87.2 | Confident | 16 Ų | 16 | 57.3 Ų | 57.3 | 8% | 0.084 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 135.9 | 172.8 | -167.5 | 65.4 | 0 | 0 | 0 | 109.9 | L42 K46 L58 E61 V69 I70 | L42-L65 HydrophobicContact CB-CB 4.39Å; L42-L65 HydrophobicContact CB-CD2 4.26Å; L42-L65 VanDerWaalsContact CD1-O 3.28Å; L42-L65 WeakPolarHBondContact CD1-O 3.33Å; K46-L65 HydrophobicContact CB-CD2 4.09Å; K46-L65 HydrophobicContact CD-CD2 4.22Å; L58-L65 HydrophobicContact CD1-CD2 4.18Å; L58-L65 HydrophobicContact CD2-CD1 4.32Å; E61-L65 HydrophobicContact CB-CD1 4.18Å; L65-V69 HydrophobicContact CD1-CB 4.34Å; L65-V69 HydrophobicContact CD1-CG1 3.89Å; L65-I70 HydrophobicContact CD1-CG1 4.18Å; L65-I70 HydrophobicContact CD2-CD1 3.7Å; L65-I70 HydrophobicContact CD2-CG1 3.73Å; L65-I70 HydrophobicContact CG-CD1 4.04Å; L65-I70 HydrophobicContact CG-CG1 3.86Å |
| 66 | T | 90.9 | Very high | 87.3 | Confident | 66 Ų | 66 | 60.7 Ų | 60.7 | 41% | 0.405 | 35% | 0.352 | S | S | . | . | trans | -113.5 | 156.1 | 175 | 68.6 | 0 | 0 | 0 | 0 | 110.1 | S68 V69 I70 | T66-S68 PolarHBondContact O-N 3.47Å; T66-V69 PolarHBondContact O-N 3.3Å; T66-V69 VanDerWaalsContact O-N 3.17Å; T66-V69 VanDerWaalsContact OG1-CG2 3.29Å; T66-V69 WeakPolarHBondContact OG1-CG2 3.43Å; T66-V69 PolarHBondContact OG1-N 2.88Å; T66-I70 PolarHBondContact O-N 2.89Å | ||
| 67 | V | 91.8 | Very high | 87.5 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 15% | 0.145 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.6 | -36.4 | 178.5 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | L42 V69 I70 D71 V330 A333 E334 A337 | L42-V67 HydrophobicContact CD1-CG2 4.24Å; V67-V69 VanDerWaalsContact C-N 3.35Å; V67-V69 PolarHBondContact O-N 3.21Å; V67-I70 WeakPolarHBondContact O-CB 2.98Å; V67-I70 PolarHBondContact O-N 3.37Å; V67-D71 PolarHBondContact O-N 2.99Å; V67-V330 HydrophobicContact CG1-CG1 3.91Å; V67-A333 HydrophobicContact CG1-CB 4.06Å; V67-A333 HydrophobicContact CG2-CB 4.21Å; V67-E334 HydrophobicContact CB-CG 4.45Å; V67-E334 HydrophobicContact CG1-CG 3.64Å; V67-E334 HydrophobicContact CG2-CG 4.4Å; V67-A337 HydrophobicContact CG2-CB 3.83Å |
| 68 | S | 90.8 | Very high | 87.8 | Confident | 73 Ų | 73 | 55.9 Ų | 55.9 | 51% | 0.51 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 174.5 | -169.6 | 0 | 0 | 0 | 0 | 112.1 | T66 I70 D71 D72 | T66-S68 PolarHBondContact O-N 3.47Å; S68-I70 VanDerWaalsContact C-N 3.31Å; S68-I70 PolarHBondContact O-N 2.84Å; S68-D71 PolarHBondContact O-N 3.26Å; S68-D72 WeakPolarHBondContact O-CB 3.34Å; S68-D72 PolarHBondContact O-N 3.49Å |
| 69 | V | 90.9 | Very high | 88.2 | Confident | 37 Ų | 37 | 56.1 Ų | 56.1 | 22% | 0.224 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65 | -37.3 | 179.4 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | E61 L65 T66 V67 R73 | E61-V69 HydrophobicContact CB-CG1 4.3Å; E61-V69 HydrophobicContact CG-CG1 3.64Å; E61-V69 WeakPolarHBondContact OE2-CG1 3.4Å; L65-V69 HydrophobicContact CD1-CB 4.34Å; L65-V69 HydrophobicContact CD1-CG1 3.89Å; T66-V69 PolarHBondContact O-N 3.3Å; T66-V69 VanDerWaalsContact O-N 3.17Å; T66-V69 VanDerWaalsContact OG1-CG2 3.29Å; T66-V69 WeakPolarHBondContact OG1-CG2 3.43Å; T66-V69 PolarHBondContact OG1-N 2.88Å; V67-V69 VanDerWaalsContact C-N 3.35Å; V67-V69 PolarHBondContact O-N 3.21Å; V69-R73 HydrophobicContact CG1-CG 4.47Å; V69-R73 WeakPolarHBondContact O-CB 3.41Å; V69-R73 VanDerWaalsContact O-CG 3.27Å; V69-R73 WeakPolarHBondContact O-CG 3.22Å; V69-R73 PolarHBondContact O-N 2.72Å; V69-R73 VanDerWaalsContact O-N 3.11Å |
| 70 | I | 91.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.5 | -50.9 | 174.4 | -63.8 | 168 | 0 | 0 | 0 | 109.7 | L42 L45 L58 L65 T66 V67 S68 D72 R73 L74 I329 A333 | L42-I70 HydrophobicContact CD2-CD1 4.15Å; L45-I70 HydrophobicContact CD2-CD1 4.1Å; L58-I70 HydrophobicContact CD1-CG1 4.42Å; L65-I70 HydrophobicContact CD1-CG1 4.18Å; L65-I70 HydrophobicContact CD2-CD1 3.7Å; L65-I70 HydrophobicContact CD2-CG1 3.73Å; L65-I70 HydrophobicContact CG-CD1 4.04Å; L65-I70 HydrophobicContact CG-CG1 3.86Å; T66-I70 PolarHBondContact O-N 2.89Å; V67-I70 WeakPolarHBondContact O-CB 2.98Å; V67-I70 PolarHBondContact O-N 3.37Å; S68-I70 VanDerWaalsContact C-N 3.31Å; S68-I70 PolarHBondContact O-N 2.84Å; I70-D72 PolarHBondContact O-N 3.37Å; I70-R73 PolarHBondContact O-N 3.47Å; I70-L74 HydrophobicContact CG2-CD1 3.74Å; I70-L74 HydrophobicContact CG2-CG 4.15Å; I70-L74 WeakPolarHBondContact O-CB 3.43Å; I70-L74 WeakPolarHBondContact O-CG 3.44Å; I70-L74 PolarHBondContact O-N 2.86Å; I70-I329 HydrophobicContact CG2-CG2 4.22Å; I70-A333 HydrophobicContact CD1-CB 4.14Å |
| 71 | D | 92.1 | Very high | 89.4 | Confident | 40 Ų | 40 | 51.8 Ų | 51.8 | 21% | 0.214 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.7 | -46.6 | 179.4 | -173.7 | 32.2 | 0 | 0 | 0 | 112 | V67 S68 R73 L74 K75 V330 | V67-D71 PolarHBondContact O-N 2.99Å; S68-D71 PolarHBondContact O-N 3.26Å; D71-R73 PolarHBondContact O-N 3.25Å; D71-L74 PolarHBondContact O-N 3.2Å; D71-K75 VanDerWaalsContact CG-NZ 3.26Å; D71-K75 WeakPolarHBondContact O-CG 3.4Å; D71-K75 PolarHBondContact O-N 2.82Å; D71-K75 WeakPolarHBondContact OD1-CE 3.41Å; D71-K75 IonicContact OD1-NZ 3.8Å; D71-K75 PolarHBondContact OD1-NZ 2.89Å; D71-K75 WeakPolarHBondContact OD2-CE 3.49Å; D71-K75 IonicContact OD2-NZ 3.84Å; D71-K75 PolarHBondContact OD2-NZ 3.28Å; D71-V330 HydrophobicContact CB-CG2 3.76Å |
| 72 | D | 90.7 | Very high | 90 | Very high | 78 Ų | 78 | 50.1 Ų | 50.1 | 42% | 0.417 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 179.3 | -67.4 | -26.6 | 0 | 0 | 0 | 112.2 | S68 I70 K75 E76 | S68-D72 WeakPolarHBondContact O-CB 3.34Å; S68-D72 PolarHBondContact O-N 3.49Å; I70-D72 PolarHBondContact O-N 3.37Å; D72-K75 PolarHBondContact O-N 2.92Å; D72-E76 WeakPolarHBondContact O-CB 3.31Å; D72-E76 PolarHBondContact O-N 3.45Å |
| 73 | R | 90.9 | Very high | 90.7 | Very high | 86 Ų | 86 | 51.7 Ų | 51.7 | 33% | 0.325 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -72.2 | -32.4 | 179.8 | -67 | -63.2 | -173 | -164.6 | -3.3 | 112.9 | F57 L58 E61 V69 I70 D71 E76 K77 | F57-R73 HydrophobicContact CD2-CB 3.79Å; F57-R73 HydrophobicContact CE2-CB 3.98Å; L58-R73 HydrophobicContact CD2-CB 3.89Å; L58-R73 HydrophobicContact CD2-CG 3.97Å; E61-R73 HydrophobicContact CG-CG 4.49Å; E61-R73 IonicContact OE1-CZ 3.88Å; E61-R73 IonicContact OE1-NE 2.75Å; E61-R73 PolarHBondContact OE1-NE 3.43Å; E61-R73 IonicContact OE1-NH2 3.81Å; E61-R73 PolarHBondContact OE1-NH2 3.41Å; V69-R73 HydrophobicContact CG1-CG 4.47Å; V69-R73 WeakPolarHBondContact O-CB 3.41Å; V69-R73 VanDerWaalsContact O-CG 3.27Å; V69-R73 WeakPolarHBondContact O-CG 3.22Å; V69-R73 PolarHBondContact O-N 2.72Å; V69-R73 VanDerWaalsContact O-N 3.11Å; I70-R73 PolarHBondContact O-N 3.47Å; D71-R73 PolarHBondContact O-N 3.25Å; R73-E76 WeakPolarHBondContact CD-OE2 3.28Å; R73-E76 IonicContact CZ-OE2 3.28Å; R73-E76 IonicContact NE-OE2 2.7Å; R73-E76 IonicContact NH1-OE1 3.71Å; R73-E76 IonicContact NH1-OE2 3.42Å; R73-E76 PolarHBondContact NH1-OE2 3.48Å; R73-K77 PolarHBondContact O-N 3.25Å; R73-K77 VanDerWaalsContact O-N 3.11Å |
| 74 | L | 92.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.9 | -48.6 | 171.6 | -71.6 | 172.3 | 0 | 0 | 0 | 110.6 | Y54 F57 I70 D71 E76 K77 M78 C326 I329 V330 | Y54-L74 HydrophobicContact CD1-CD2 3.73Å; Y54-L74 HydrophobicContact CE1-CD2 3.14Å; F57-L74 HydrophobicContact CE2-CD2 3.78Å; F57-L74 HydrophobicContact CE2-CG 4.09Å; F57-L74 HydrophobicContact CZ-CD2 3.94Å; I70-L74 HydrophobicContact CG2-CD1 3.74Å; I70-L74 HydrophobicContact CG2-CG 4.15Å; I70-L74 WeakPolarHBondContact O-CB 3.43Å; I70-L74 WeakPolarHBondContact O-CG 3.44Å; I70-L74 PolarHBondContact O-N 2.86Å; D71-L74 PolarHBondContact O-N 3.2Å; L74-E76 PolarHBondContact O-N 2.94Å; L74-K77 PolarHBondContact O-N 3.32Å; L74-M78 PolarHBondContact O-N 3.1Å; L74-M78 VanDerWaalsContact O-N 3.12Å; L74-C326 HydrophobicContact CB-CB 4.4Å; L74-C326 HydrophobicContact CD1-CB 4.41Å; L74-I329 HydrophobicContact CD1-CB 3.97Å; L74-I329 HydrophobicContact CD1-CD1 4.31Å; L74-I329 HydrophobicContact CD1-CG2 3.78Å; L74-I329 HydrophobicContact CD2-CD1 3.93Å; L74-V330 HydrophobicContact CD1-CG2 4.11Å |
| 75 | K | 91.6 | Very high | 92.1 | Very high | 58 Ų | 58 | 45.7 Ų | 45.7 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 176.1 | -71.7 | 170.6 | -172.2 | 157.3 | 0 | 111.9 | D71 D72 K77 M78 V79 | D71-K75 VanDerWaalsContact CG-NZ 3.26Å; D71-K75 WeakPolarHBondContact O-CG 3.4Å; D71-K75 PolarHBondContact O-N 2.82Å; D71-K75 WeakPolarHBondContact OD1-CE 3.41Å; D71-K75 IonicContact OD1-NZ 3.8Å; D71-K75 PolarHBondContact OD1-NZ 2.89Å; D71-K75 WeakPolarHBondContact OD2-CE 3.49Å; D71-K75 IonicContact OD2-NZ 3.84Å; D71-K75 PolarHBondContact OD2-NZ 3.28Å; D72-K75 PolarHBondContact O-N 2.92Å; K75-K77 PolarHBondContact O-N 3.49Å; K75-M78 PolarHBondContact O-N 3.17Å; K75-V79 WeakPolarHBondContact O-CB 3.48Å; K75-V79 WeakPolarHBondContact O-CG2 3.44Å; K75-V79 PolarHBondContact O-N 3.07Å |
| 76 | E | 91.4 | Very high | 92.4 | Very high | 94 Ų | 94 | 47.9 Ų | 47.9 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.5 | -45.1 | 178.8 | -173.2 | 179.5 | -167.6 | 0 | 0 | 111.8 | D72 R73 L74 M78 V79 V80 | D72-E76 WeakPolarHBondContact O-CB 3.31Å; D72-E76 PolarHBondContact O-N 3.45Å; R73-E76 WeakPolarHBondContact CD-OE2 3.28Å; R73-E76 IonicContact CZ-OE2 3.28Å; R73-E76 IonicContact NE-OE2 2.7Å; R73-E76 IonicContact NH1-OE1 3.71Å; R73-E76 IonicContact NH1-OE2 3.42Å; R73-E76 PolarHBondContact NH1-OE2 3.48Å; L74-E76 PolarHBondContact O-N 2.94Å; E76-M78 PolarHBondContact O-N 3.23Å; E76-V79 PolarHBondContact O-N 3.15Å; E76-V80 WeakPolarHBondContact O-CG2 3.21Å; E76-V80 PolarHBondContact O-N 2.91Å |
| 77 | K | 91.7 | Very high | 92.6 | Very high | 48 Ų | 48 | 51 Ų | 51 | 21% | 0.209 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59 | -48.4 | 175.7 | -174.6 | -173.2 | 172.4 | 86.5 | 0 | 111.4 | D53 Y54 R73 L74 K75 V79 V80 E81 | D53-K77 PolarHBondContact O-NZ 2.9Å; Y54-K77 HydrophobicContact CD1-CD 3.51Å; Y54-K77 HydrophobicContact CE1-CD 3.8Å; Y54-K77 HydrophobicContact CG-CD 4.47Å; Y54-K77 PolarHBondContact O-NZ 3.37Å; R73-K77 PolarHBondContact O-N 3.25Å; R73-K77 VanDerWaalsContact O-N 3.11Å; L74-K77 PolarHBondContact O-N 3.32Å; K75-K77 PolarHBondContact O-N 3.49Å; K77-V79 VanDerWaalsContact C-N 3.29Å; K77-V79 PolarHBondContact O-N 2.91Å; K77-V80 PolarHBondContact O-N 3.14Å; K77-E81 WeakPolarHBondContact CE-OE1 3.12Å; K77-E81 IonicContact NZ-OE1 3.3Å; K77-E81 WeakPolarHBondContact O-CG 3.26Å; K77-E81 PolarHBondContact O-N 3.03Å; K77-E81 VanDerWaalsContact O-N 3.09Å |
| 78 | M | 92.7 | Very high | 92.7 | Very high | 12 Ų | 12 | 54.7 Ų | 54.7 | 6% | 0.059 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.7 | -41.3 | 177.3 | -174.9 | -177.7 | 76.5 | 0 | 0 | 111.8 | L74 K75 E76 E81 F82 L132 K322 E323 | L74-M78 PolarHBondContact O-N 3.1Å; L74-M78 VanDerWaalsContact O-N 3.12Å; K75-M78 PolarHBondContact O-N 3.17Å; E76-M78 PolarHBondContact O-N 3.23Å; M78-E81 PolarHBondContact O-N 3.05Å; M78-F82 WeakPolarHBondContact O-CB 3.28Å; M78-F82 PolarHBondContact O-N 2.95Å; M78-L132 HydrophobicContact CE-CD1 4.12Å; M78-K322 HydrophobicContact CG-CB 4.44Å; M78-K322 HydrophobicContact SD-CB 4.24Å; M78-E323 HydrophobicContact CE-CG 4.1Å; M78-E323 HydrophobicContact SD-CG 3.81Å |
| 79 | V | 92.9 | Very high | 92.9 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.03 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.4 | -41.8 | 178.5 | 169.7 | 0 | 0 | 0 | 0 | 111.5 | K75 E76 K77 F82 R83 P131 L132 | K75-V79 WeakPolarHBondContact O-CB 3.48Å; K75-V79 WeakPolarHBondContact O-CG2 3.44Å; K75-V79 PolarHBondContact O-N 3.07Å; E76-V79 PolarHBondContact O-N 3.15Å; K77-V79 VanDerWaalsContact C-N 3.29Å; K77-V79 PolarHBondContact O-N 2.91Å; V79-F82 PolarHBondContact O-N 3.27Å; V79-R83 HydrophobicContact CG1-CG 4.23Å; V79-R83 WeakPolarHBondContact O-CB 3.48Å; V79-R83 VanDerWaalsContact O-CG 3.29Å; V79-R83 WeakPolarHBondContact O-CG 3.1Å; V79-R83 PolarHBondContact O-N 3.37Å; V79-P131 HydrophobicContact CG1-CB 4.21Å; V79-P131 HydrophobicContact CG2-CB 3.77Å; V79-P131 HydrophobicContact CG2-CG 4.19Å; V79-L132 HydrophobicContact CB-CD2 4.19Å; V79-L132 HydrophobicContact CG1-CD2 4.07Å; V79-L132 HydrophobicContact CG2-CD2 3.89Å; V79-L132 HydrophobicContact CG2-CG 3.82Å |
| 80 | V | 92.8 | Very high | 93 | Very high | 90 Ų | 90 | 57.6 Ų | 57.6 | 55% | 0.545 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | 177.2 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | E76 K77 R83 H84 | E76-V80 WeakPolarHBondContact O-CG2 3.21Å; E76-V80 PolarHBondContact O-N 2.91Å; K77-V80 PolarHBondContact O-N 3.14Å; V80-R83 PolarHBondContact O-N 2.85Å; V80-H84 WeakPolarHBondContact O-CB 3.22Å; V80-H84 PolarHBondContact O-N 2.95Å |
| 81 | E | 93.3 | Very high | 93 | Very high | 34 Ų | 34 | 61.7 Ų | 61.7 | 16% | 0.159 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 177.1 | -70.2 | 172.5 | -174.3 | 0 | 0 | 111.4 | L23 K77 M78 H84 M85 | L23-E81 HydrophobicContact CD1-CB 4.3Å; L23-E81 HydrophobicContact CD1-CG 4.47Å; L23-E81 HydrophobicContact CD2-CG 4.35Å; K77-E81 WeakPolarHBondContact CE-OE1 3.12Å; K77-E81 IonicContact NZ-OE1 3.3Å; K77-E81 WeakPolarHBondContact O-CG 3.26Å; K77-E81 PolarHBondContact O-N 3.03Å; K77-E81 VanDerWaalsContact O-N 3.09Å; M78-E81 PolarHBondContact O-N 3.05Å; E81-H84 PolarHBondContact O-N 3.12Å; E81-M85 PolarHBondContact O-N 3.43Å; E81-M85 VanDerWaalsContact O-N 3.12Å |
| 82 | F | 94.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 62.1 Ų | 62.1 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.5 | -48.1 | 177.8 | -175.7 | -88.1 | 0 | 0 | 0 | 112.6 | M78 V79 H84 M85 R86 L97 I100 T101 L132 V319 | M78-F82 WeakPolarHBondContact O-CB 3.28Å; M78-F82 PolarHBondContact O-N 2.95Å; V79-F82 PolarHBondContact O-N 3.27Å; F82-H84 VanDerWaalsContact C-N 3.27Å; F82-H84 PolarHBondContact O-N 2.7Å; F82-M85 PolarHBondContact O-N 2.79Å; F82-M85 VanDerWaalsContact O-N 3.15Å; F82-R86 HydrophobicContact CE1-CB 4.39Å; F82-R86 PolarHBondContact O-N 3.02Å; F82-L97 HydrophobicContact CE2-CD2 4.01Å; F82-L97 HydrophobicContact CZ-CB 4.13Å; F82-L97 HydrophobicContact CZ-CD2 4.32Å; F82-L97 WeakPolarHBondContact CZ-O 3.35Å; F82-I100 HydrophobicContact CE2-CB 4.26Å; F82-I100 HydrophobicContact CE2-CD1 4.38Å; F82-I100 HydrophobicContact CE2-CG2 3.97Å; F82-I100 HydrophobicContact CZ-CB 4.27Å; F82-I100 HydrophobicContact CZ-CG2 4.3Å; F82-T101 HydrophobicContact CE1-CG2 3.51Å; F82-T101 HydrophobicContact CZ-CG2 3.73Å; F82-L132 HydrophobicContact CB-CD2 3.95Å; F82-L132 HydrophobicContact CD1-CD1 4.43Å; F82-L132 HydrophobicContact CD1-CD2 3.45Å; F82-L132 VanDerWaalsContact CD1-CD2 3.45Å; F82-L132 HydrophobicContact CE1-CD2 4.16Å; F82-L132 HydrophobicContact CG-CD1 4.23Å; F82-L132 HydrophobicContact CG-CD2 3.82Å; F82-V319 HydrophobicContact CD2-CG2 3.61Å; F82-V319 HydrophobicContact CE2-CG2 3.92Å |
| 83 | R | 94.1 | Very high | 93.2 | Very high | 118 Ų | 118 | 58.4 Ų | 58.4 | 45% | 0.445 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.8 | -37.6 | 178.2 | -74.9 | 178.4 | -178.8 | 175.4 | 2.1 | 111.3 | V79 V80 R86 N87 P131 | V79-R83 HydrophobicContact CG1-CG 4.23Å; V79-R83 WeakPolarHBondContact O-CB 3.48Å; V79-R83 VanDerWaalsContact O-CG 3.29Å; V79-R83 WeakPolarHBondContact O-CG 3.1Å; V79-R83 PolarHBondContact O-N 3.37Å; V80-R83 PolarHBondContact O-N 2.85Å; R83-R86 PolarHBondContact O-N 3.33Å; R83-N87 VanDerWaalsContact O-CB 3.29Å; R83-N87 WeakPolarHBondContact O-CB 3.35Å; R83-N87 PolarHBondContact O-N 3.34Å; R83-N87 PolarHBondContact O-ND2 3.21Å; R83-N87 PolarHBondContact O-OD1 2.77Å; R83-P131 PolarHBondContact NH2-O 3.19Å; R83-P131 VanDerWaalsContact NH2-O 3.11Å |
| 84 | H | 94.5 | Very high | 93.4 | Very high | 74 Ų | 74 | 54.5 Ų | 54.5 | 34% | 0.343 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 174.4 | -177.1 | 86.9 | 0 | 0 | 0 | 111.6 | Y15 V80 E81 F82 H88 | Y15-H84 PolarHBondContact OH-NE2 3.37Å; V80-H84 WeakPolarHBondContact O-CB 3.22Å; V80-H84 PolarHBondContact O-N 2.95Å; E81-H84 PolarHBondContact O-N 3.12Å; F82-H84 VanDerWaalsContact C-N 3.27Å; F82-H84 PolarHBondContact O-N 2.7Å; H84-H88 AromaticContact CE1-CE1 3.35Å; H84-H88 PolarHBondContact CE1-CE1 2.73Å; H84-H88 AromaticContact CE1-ND1 3.79Å; H84-H88 AromaticContact ND1-CE1 3.72Å; H84-H88 AromaticContact NE2-CE1 3.79Å; H84-H88 AromaticContact NE2-ND1 3.84Å; H84-H88 PolarHBondContact O-N 2.95Å; H84-H88 PolarHBondContact O-ND1 3.31Å |
| 85 | M | 94.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62 | -46.1 | 175.5 | -68.5 | -175.4 | -70.6 | 0 | 0 | 111.7 | L16 L19 V20 L23 E81 F82 N87 H88 A89 L97 F315 F318 | L16-M85 HydrophobicContact CD2-CB 4.32Å; L16-M85 HydrophobicContact CD2-CG 4.39Å; L19-M85 HydrophobicContact CD2-CG 4.14Å; V20-M85 HydrophobicContact CB-SD 3.97Å; V20-M85 HydrophobicContact CG2-SD 4.14Å; L23-M85 HydrophobicContact CD1-SD 4.43Å; E81-M85 PolarHBondContact O-N 3.43Å; E81-M85 VanDerWaalsContact O-N 3.12Å; F82-M85 PolarHBondContact O-N 2.79Å; F82-M85 VanDerWaalsContact O-N 3.15Å; M85-N87 PolarHBondContact O-N 3.41Å; M85-H88 PolarHBondContact O-N 2.7Å; M85-A89 WeakPolarHBondContact O-CB 3.5Å; M85-A89 PolarHBondContact O-N 3.07Å; M85-L97 HydrophobicContact CB-CD1 4.44Å; M85-F315 HydrophobicContact SD-CD1 3.78Å; M85-F315 HydrophobicContact SD-CE1 4.02Å; M85-F318 HydrophobicContact CE-CD1 3.95Å; M85-F318 HydrophobicContact CE-CE1 4.03Å |
| 86 | R | 94.4 | Very high | 93.7 | Very high | 62 Ų | 62 | 53.3 Ų | 53.3 | 23% | 0.234 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.3 | -39.3 | -179.7 | 179.2 | 60.8 | -171.8 | 92.1 | -8.2 | 113.4 | F82 R83 H88 A89 A94 L97 D98 | F82-R86 HydrophobicContact CE1-CB 4.39Å; F82-R86 PolarHBondContact O-N 3.02Å; R83-R86 PolarHBondContact O-N 3.33Å; R86-H88 VanDerWaalsContact C-N 3.29Å; R86-H88 PolarHBondContact O-N 3.05Å; R86-A89 PolarHBondContact O-N 3.2Å; R86-A94 PolarHBondContact NE-O 2.87Å; R86-A94 VanDerWaalsContact NH1-CB 3.34Å; R86-L97 HydrophobicContact CB-CD1 4.14Å; R86-D98 IonicContact CZ-OD1 3.72Å; R86-D98 IonicContact CZ-OD2 2.7Å; R86-D98 IonicContact NE-OD1 3.81Å; R86-D98 PolarHBondContact NE-OD1 2.77Å; R86-D98 IonicContact NE-OD2 3.6Å; R86-D98 VanDerWaalsContact NH2-CG 3.35Å; R86-D98 IonicContact NH2-OD1 3.09Å; R86-D98 PolarHBondContact NH2-OD1 3.1Å; R86-D98 IonicContact NH2-OD2 3.99Å; R86-D98 PolarHBondContact NH2-OD2 3.33Å |
| 87 | N | 94.3 | Very high | 93.9 | Very high | 131 Ų | 131 | 48.9 Ų | 48.9 | 70% | 0.701 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -68.9 | -26.1 | -179.4 | -72.6 | -13 | 0 | 0 | 0 | 113.3 | R83 M85 | R83-N87 VanDerWaalsContact O-CB 3.29Å; R83-N87 WeakPolarHBondContact O-CB 3.35Å; R83-N87 PolarHBondContact O-N 3.34Å; R83-N87 PolarHBondContact O-ND2 3.21Å; R83-N87 PolarHBondContact O-OD1 2.77Å; M85-N87 PolarHBondContact O-N 3.41Å |
| 88 | H | 94.2 | Very high | 94 | Very high | 101 Ų | 101 | 48.5 Ų | 48.5 | 47% | 0.468 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -97.9 | -6.4 | 177.6 | -67.6 | 85 | 0 | 0 | 0 | 112.6 | L16 H84 M85 R86 | L16-H88 HydrophobicContact CD1-CB 4.44Å; L16-H88 HydrophobicContact CD2-CB 3.97Å; H84-H88 AromaticContact CE1-CE1 3.35Å; H84-H88 PolarHBondContact CE1-CE1 2.73Å; H84-H88 AromaticContact CE1-ND1 3.79Å; H84-H88 AromaticContact ND1-CE1 3.72Å; H84-H88 AromaticContact NE2-CE1 3.79Å; H84-H88 AromaticContact NE2-ND1 3.84Å; H84-H88 PolarHBondContact O-N 2.95Å; H84-H88 PolarHBondContact O-ND1 3.31Å; M85-H88 PolarHBondContact O-N 2.7Å; R86-H88 VanDerWaalsContact C-N 3.29Å; R86-H88 PolarHBondContact O-N 3.05Å |
| 89 | A | 94.6 | Very high | 94 | Very high | 14 Ų | 14 | 49.1 Ų | 49.1 | 12% | 0.116 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -77 | 134.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L16 M85 R86 L93 A94 L97 | L16-A89 HydrophobicContact CD1-CB 3.9Å; M85-A89 WeakPolarHBondContact O-CB 3.5Å; M85-A89 PolarHBondContact O-N 3.07Å; R86-A89 PolarHBondContact O-N 3.2Å; A89-L93 HydrophobicContact CB-CB 4.28Å; A89-L93 HydrophobicContact CB-CD2 4.01Å; A89-L93 HydrophobicContact CB-CG 3.84Å; A89-A94 HydrophobicContact CB-CB 4.36Å; A89-L97 HydrophobicContact CB-CD1 3.77Å |
| 90 | Y | 93.1 | Very high | 94.1 | Very high | 158 Ų | 158 | 49 Ų | 49 | 62% | 0.62 | 24% | 0.237 | S | C | * | . | P | Polyproline II helix | trans | -102.7 | 163.9 | 168.4 | -169.1 | -108.5 | 0 | 0 | 0 | 110.3 | L93 A94 | Y90-L93 WeakPolarHBondContact O-CA 3.21Å; Y90-L93 WeakPolarHBondContact O-CB 3.33Å; Y90-L93 PolarHBondContact O-N 3.32Å; Y90-A94 PolarHBondContact O-N 2.86Å |
| 91 | E | 91.8 | Very high | 94.1 | Very high | 86 Ų | 86 | 45.2 Ų | 45.2 | 40% | 0.402 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 138.8 | 175.9 | -69.2 | -58.6 | 155.8 | 0 | 0 | 111.1 | A94 S95 | E91-A94 HydrophobicContact CG-CB 4.48Å; E91-A94 WeakPolarHBondContact OE1-CB 3.36Å; E91-S95 PolarHBondContact OE1-N 3.29Å; E91-S95 PolarHBondContact OE1-OG 3.32Å; E91-S95 VanDerWaalsContact OE1-OG 3.13Å; E91-S95 VanDerWaalsContact OE2-CB 3.25Å; E91-S95 WeakPolarHBondContact OE2-CB 3.41Å; E91-S95 PolarHBondContact OE2-N 3.36Å; E91-S95 PolarHBondContact OE2-OG 2.92Å |
| 92 | P | 93.5 | Very high | 94.1 | Very high | 48 Ų | 48 | 45.4 Ų | 45.4 | 31% | 0.312 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -90.2 | -1.7 | 7 | 34.5 | -37.4 | 0 | 0 | 0 | 116 | A94 S95 F96 L200 F312 | P92-A94 VanDerWaalsContact C-N 3.31Å; P92-A94 PolarHBondContact O-N 3.44Å; P92-S95 PolarHBondContact O-N 2.94Å; P92-F96 PolarHBondContact O-N 3.3Å; P92-F96 VanDerWaalsContact O-N 3.09Å; P92-L200 HydrophobicContact CB-CD2 3.65Å; P92-L200 HydrophobicContact CG-CD2 3.82Å; P92-F312 HydrophobicContact CB-CE2 4.41Å; P92-F312 HydrophobicContact CG-CE2 3.62Å; P92-F312 HydrophobicContact CG-CZ 3.84Å |
| 93 | L | 94.1 | Very high | 94 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.3 | -35 | -178.6 | 175.7 | 60.4 | 0 | 0 | 0 | 111.8 | N13 L16 A89 Y90 F96 L97 F312 F315 | N13-L93 HydrophobicContact CB-CD2 4.48Å; N13-L93 WeakPolarHBondContact OD1-CB 3.37Å; N13-L93 VanDerWaalsContact OD1-CD2 3.29Å; N13-L93 WeakPolarHBondContact OD1-CD2 3.41Å; L16-L93 HydrophobicContact CB-CD2 4.22Å; L16-L93 HydrophobicContact CD1-CD2 3.49Å; L16-L93 VanDerWaalsContact CD1-CD2 3.49Å; A89-L93 HydrophobicContact CB-CB 4.28Å; A89-L93 HydrophobicContact CB-CD2 4.01Å; A89-L93 HydrophobicContact CB-CG 3.84Å; Y90-L93 WeakPolarHBondContact O-CA 3.21Å; Y90-L93 WeakPolarHBondContact O-CB 3.33Å; Y90-L93 PolarHBondContact O-N 3.32Å; L93-F96 HydrophobicContact CD1-CB 4.48Å; L93-F96 HydrophobicContact CD1-CD1 4.27Å; L93-F96 WeakPolarHBondContact O-CB 3.15Å; L93-F96 PolarHBondContact O-N 2.96Å; L93-L97 HydrophobicContact CD1-CD1 4.27Å; L93-L97 HydrophobicContact CD1-CD2 4.43Å; L93-L97 HydrophobicContact CD1-CG 4Å; L93-L97 HydrophobicContact CG-CD1 4.16Å; L93-L97 HydrophobicContact CG-CG 4.33Å; L93-L97 WeakPolarHBondContact O-CG 3.28Å; L93-L97 PolarHBondContact O-N 3.36Å; L93-F312 HydrophobicContact CB-CD1 4.27Å; L93-F312 HydrophobicContact CB-CE1 3.98Å; L93-F312 HydrophobicContact CB-CZ 4.24Å; L93-F312 HydrophobicContact CD1-CB 4.23Å; L93-F312 HydrophobicContact CD1-CD1 3.74Å; L93-F312 HydrophobicContact CD1-CE1 4.31Å; L93-F312 HydrophobicContact CD1-CG 4Å; L93-F312 HydrophobicContact CG-CD1 4.43Å; L93-F315 HydrophobicContact CD1-CD2 3.52Å; L93-F315 HydrophobicContact CD1-CE2 3.6Å; L93-F315 HydrophobicContact CD1-CG 4.06Å; L93-F315 HydrophobicContact CD1-CZ 4.18Å; L93-F315 HydrophobicContact CD2-CE1 4.32Å; L93-F315 HydrophobicContact CD2-CE2 3.85Å; L93-F315 HydrophobicContact CD2-CZ 3.72Å; L93-F315 HydrophobicContact CG-CE2 4.41Å |
| 94 | A | 94.7 | Very high | 94 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.033 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.6 | -55.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R86 A89 Y90 E91 P92 F96 L97 D98 | R86-A94 PolarHBondContact NE-O 2.87Å; R86-A94 VanDerWaalsContact NH1-CB 3.34Å; A89-A94 HydrophobicContact CB-CB 4.36Å; Y90-A94 PolarHBondContact O-N 2.86Å; E91-A94 HydrophobicContact CG-CB 4.48Å; E91-A94 WeakPolarHBondContact OE1-CB 3.36Å; P92-A94 VanDerWaalsContact C-N 3.31Å; P92-A94 PolarHBondContact O-N 3.44Å; A94-F96 VanDerWaalsContact C-N 3.33Å; A94-F96 PolarHBondContact O-N 2.84Å; A94-L97 PolarHBondContact O-N 3.46Å; A94-D98 PolarHBondContact O-N 3.09Å |
| 95 | S | 94.2 | Very high | 93.8 | Very high | 35 Ų | 35 | 38 Ų | 38 | 25% | 0.245 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.1 | -42 | 174.1 | -68.1 | 0 | 0 | 0 | 0 | 112.7 | E91 P92 L97 D98 F99 | E91-S95 PolarHBondContact OE1-N 3.29Å; E91-S95 PolarHBondContact OE1-OG 3.32Å; E91-S95 VanDerWaalsContact OE1-OG 3.13Å; E91-S95 VanDerWaalsContact OE2-CB 3.25Å; E91-S95 WeakPolarHBondContact OE2-CB 3.41Å; E91-S95 PolarHBondContact OE2-N 3.36Å; E91-S95 PolarHBondContact OE2-OG 2.92Å; P92-S95 PolarHBondContact O-N 2.94Å; S95-L97 VanDerWaalsContact C-N 3.33Å; S95-L97 PolarHBondContact O-N 3.02Å; S95-D98 WeakPolarHBondContact O-CB 3.43Å; S95-D98 PolarHBondContact O-N 3.41Å; S95-D98 VanDerWaalsContact O-N 3.16Å; S95-F99 VanDerWaalsContact O-CD2 3.24Å; S95-F99 WeakPolarHBondContact O-CD2 3.42Å; S95-F99 PolarHBondContact O-N 2.99Å |
| 96 | F | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.8 | -44.2 | 178 | -178 | -90.6 | 0 | 0 | 0 | 112.2 | P92 L93 A94 F99 I100 F193 F196 L200 T204 M208 F312 F315 | P92-F96 PolarHBondContact O-N 3.3Å; P92-F96 VanDerWaalsContact O-N 3.09Å; L93-F96 HydrophobicContact CD1-CB 4.48Å; L93-F96 HydrophobicContact CD1-CD1 4.27Å; L93-F96 WeakPolarHBondContact O-CB 3.15Å; L93-F96 PolarHBondContact O-N 2.96Å; A94-F96 VanDerWaalsContact C-N 3.33Å; A94-F96 PolarHBondContact O-N 2.84Å; F96-F99 WeakPolarHBondContact O-CB 3.29Å; F96-F99 PolarHBondContact O-N 3.03Å; F96-I100 HydrophobicContact CD1-CD1 4.19Å; F96-I100 HydrophobicContact CE1-CD1 3.84Å; F96-I100 HydrophobicContact CE1-CG1 4.49Å; F96-I100 PolarHBondContact O-N 3.35Å; F96-F193 AromaticContact CD2-CE2 3.73Å; F96-F193 HydrophobicContact CD2-CE2 3.73Å; F96-F193 HydrophobicContact CD2-CZ 4.12Å; F96-F193 AromaticContact CE2-CE2 3.67Å; F96-F193 HydrophobicContact CE2-CE2 3.67Å; F96-F193 AromaticContact CE2-CZ 3.69Å; F96-F193 HydrophobicContact CE2-CZ 3.69Å; F96-F193 HydrophobicContact CZ-CE2 4.42Å; F96-F193 HydrophobicContact CZ-CZ 4.01Å; F96-F196 HydrophobicContact CB-CE1 3.84Å; F96-F196 HydrophobicContact CB-CZ 4.42Å; F96-F196 HydrophobicContact CD2-CD1 4.45Å; F96-F196 AromaticContact CD2-CE1 3.99Å; F96-F196 HydrophobicContact CD2-CE1 3.99Å; F96-F196 HydrophobicContact CG-CE1 4.42Å; F96-L200 HydrophobicContact CD2-CD1 4.5Å; F96-T204 HydrophobicContact CE2-CG2 4.49Å; F96-M208 HydrophobicContact CE2-CE 3.96Å; F96-M208 HydrophobicContact CE2-CG 3.91Å; F96-M208 HydrophobicContact CE2-SD 4.36Å; F96-M208 HydrophobicContact CZ-CE 3.68Å; F96-M208 HydrophobicContact CZ-CG 3.91Å; F96-M208 HydrophobicContact CZ-SD 3.87Å; F96-F312 HydrophobicContact CB-CD2 4.5Å; F96-F312 HydrophobicContact CD1-CB 3.85Å; F96-F312 HydrophobicContact CD2-CB 4.02Å; F96-F312 HydrophobicContact CE1-CB 3.9Å; F96-F312 WeakPolarHBondContact CE1-O 3.42Å; F96-F312 HydrophobicContact CE2-CB 4.08Å; F96-F312 HydrophobicContact CG-CB 3.91Å; F96-F312 HydrophobicContact CG-CD2 4.49Å; F96-F312 HydrophobicContact CZ-CB 4.01Å; F96-F312 WeakPolarHBondContact CZ-O 3.48Å; F96-F315 HydrophobicContact CE1-CB 4.2Å |
| 97 | L | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68 | -36.5 | 176.4 | -67.8 | 175.7 | 0 | 0 | 0 | 111.3 | F82 M85 R86 A89 L93 A94 S95 F99 I100 T101 F315 | F82-L97 HydrophobicContact CE2-CD2 4.01Å; F82-L97 HydrophobicContact CZ-CB 4.13Å; F82-L97 HydrophobicContact CZ-CD2 4.32Å; F82-L97 WeakPolarHBondContact CZ-O 3.35Å; M85-L97 HydrophobicContact CB-CD1 4.44Å; R86-L97 HydrophobicContact CB-CD1 4.14Å; A89-L97 HydrophobicContact CB-CD1 3.77Å; L93-L97 HydrophobicContact CD1-CD1 4.27Å; L93-L97 HydrophobicContact CD1-CD2 4.43Å; L93-L97 HydrophobicContact CD1-CG 4Å; L93-L97 HydrophobicContact CG-CD1 4.16Å; L93-L97 HydrophobicContact CG-CG 4.33Å; L93-L97 WeakPolarHBondContact O-CG 3.28Å; L93-L97 PolarHBondContact O-N 3.36Å; A94-L97 PolarHBondContact O-N 3.46Å; S95-L97 VanDerWaalsContact C-N 3.33Å; S95-L97 PolarHBondContact O-N 3.02Å; L97-F99 VanDerWaalsContact C-N 3.33Å; L97-F99 PolarHBondContact O-N 2.92Å; L97-I100 HydrophobicContact CD2-CD1 4.06Å; L97-I100 WeakPolarHBondContact O-CB 3.47Å; L97-I100 PolarHBondContact O-N 3.26Å; L97-I100 VanDerWaalsContact O-N 3.14Å; L97-T101 PolarHBondContact O-N 3.41Å; L97-F315 HydrophobicContact CD2-CB 3.83Å; L97-F315 HydrophobicContact CD2-CD1 4.37Å; L97-F315 HydrophobicContact CD2-CG 4.23Å |
| 98 | D | 93.7 | Very high | 93.3 | Very high | 41 Ų | 41 | 31.5 Ų | 31.5 | 22% | 0.219 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 173.5 | -68.9 | -25.7 | 0 | 0 | 0 | 112 | R86 A94 S95 I100 T101 Y102 | R86-D98 IonicContact CZ-OD1 3.72Å; R86-D98 IonicContact CZ-OD2 2.7Å; R86-D98 IonicContact NE-OD1 3.81Å; R86-D98 PolarHBondContact NE-OD1 2.77Å; R86-D98 IonicContact NE-OD2 3.6Å; R86-D98 VanDerWaalsContact NH2-CG 3.35Å; R86-D98 IonicContact NH2-OD1 3.09Å; R86-D98 PolarHBondContact NH2-OD1 3.1Å; R86-D98 IonicContact NH2-OD2 3.99Å; R86-D98 PolarHBondContact NH2-OD2 3.33Å; A94-D98 PolarHBondContact O-N 3.09Å; S95-D98 WeakPolarHBondContact O-CB 3.43Å; S95-D98 PolarHBondContact O-N 3.41Å; S95-D98 VanDerWaalsContact O-N 3.16Å; D98-I100 VanDerWaalsContact C-N 3.25Å; D98-I100 PolarHBondContact O-N 2.84Å; D98-T101 WeakPolarHBondContact O-CA 3.44Å; D98-T101 WeakPolarHBondContact O-CB 3.42Å; D98-T101 PolarHBondContact O-N 2.78Å; D98-T101 PolarHBondContact O-OG1 3.05Å; D98-Y102 HydrophobicContact CB-CE1 4.19Å; D98-Y102 WeakPolarHBondContact O-CD1 3.2Å; D98-Y102 WeakPolarHBondContact O-CE1 3.4Å; D98-Y102 PolarHBondContact O-N 3.41Å |
| 99 | F | 94.2 | Very high | 92.9 | Very high | 25 Ų | 25 | 26.7 Ų | 26.7 | 11% | 0.11 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.8 | -41 | 173.2 | -87.3 | -75.1 | 0 | 0 | 0 | 112.1 | S95 F96 L97 T101 Y102 Y189 F193 F196 | S95-F99 VanDerWaalsContact O-CD2 3.24Å; S95-F99 WeakPolarHBondContact O-CD2 3.42Å; S95-F99 PolarHBondContact O-N 2.99Å; F96-F99 WeakPolarHBondContact O-CB 3.29Å; F96-F99 PolarHBondContact O-N 3.03Å; L97-F99 VanDerWaalsContact C-N 3.33Å; L97-F99 PolarHBondContact O-N 2.92Å; F99-T101 PolarHBondContact O-N 3.28Å; F99-Y102 AromaticContact CD1-CD2 3.76Å; F99-Y102 HydrophobicContact CD1-CD2 3.76Å; F99-Y102 AromaticContact CD1-CE2 3.88Å; F99-Y102 HydrophobicContact CD1-CE2 3.88Å; F99-Y102 HydrophobicContact CE1-CD2 4.22Å; F99-Y102 HydrophobicContact CE1-CE2 4.07Å; F99-Y102 HydrophobicContact CG-CD2 4.33Å; F99-Y102 HydrophobicContact CG-CE2 4.26Å; F99-Y102 WeakPolarHBondContact O-CB 3.27Å; F99-Y102 PolarHBondContact O-N 2.95Å; F99-Y102 VanDerWaalsContact O-N 3.11Å; F99-Y189 HydrophobicContact CD1-CD2 4.5Å; F99-Y189 HydrophobicContact CD1-CE2 4.3Å; F99-Y189 WeakPolarHBondContact O-CE2 3.19Å; F99-Y189 PolarHBondContact O-OH 3.09Å; F99-F193 HydrophobicContact CB-CD1 4.43Å; F99-F193 HydrophobicContact CB-CD2 3.56Å; F99-F193 HydrophobicContact CB-CE1 4.46Å; F99-F193 HydrophobicContact CB-CE2 3.61Å; F99-F193 HydrophobicContact CB-CG 4.01Å; F99-F193 HydrophobicContact CB-CZ 4.07Å; F99-F193 HydrophobicContact CD1-CB 3.87Å; F99-F193 AromaticContact CD1-CD2 3.97Å; F99-F193 HydrophobicContact CD1-CD2 3.97Å; F99-F193 HydrophobicContact CD1-CG 4.08Å; F99-F193 HydrophobicContact CD2-CD2 4.18Å; F99-F193 HydrophobicContact CE1-CB 4.35Å; F99-F193 HydrophobicContact CG-CB 4.44Å; F99-F193 AromaticContact CG-CD2 3.65Å; F99-F193 HydrophobicContact CG-CD2 3.65Å; F99-F193 HydrophobicContact CG-CE2 4.12Å; F99-F193 HydrophobicContact CG-CG 4.17Å; F99-F196 HydrophobicContact CD2-CB 4.47Å; F99-F196 AromaticContact CD2-CD1 3.85Å; F99-F196 HydrophobicContact CD2-CD1 3.85Å; F99-F196 HydrophobicContact CD2-CD2 4.41Å; F99-F196 HydrophobicContact CD2-CE1 4.14Å; F99-F196 AromaticContact CD2-CG 3.99Å; F99-F196 HydrophobicContact CD2-CG 3.99Å; F99-F196 HydrophobicContact CE2-CB 3.89Å; F99-F196 AromaticContact CE2-CD1 3.92Å; F99-F196 HydrophobicContact CE2-CD1 3.92Å; F99-F196 AromaticContact CE2-CD2 3.71Å; F99-F196 HydrophobicContact CE2-CD2 3.71Å; F99-F196 HydrophobicContact CE2-CE1 4.38Å; F99-F196 HydrophobicContact CE2-CE2 4.2Å; F99-F196 AromaticContact CE2-CG 3.56Å; F99-F196 HydrophobicContact CE2-CG 3.56Å; F99-F196 HydrophobicContact CZ-CB 4.07Å; F99-F196 HydrophobicContact CZ-CD2 4.48Å; F99-F196 HydrophobicContact CZ-CG 4.24Å |
| 100 | I | 94.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59 | -38.4 | 175 | -61.2 | 175.2 | 0 | 0 | 0 | 111 | F82 F96 L97 D98 Y102 S103 Y104 F193 Y316 V319 | F82-I100 HydrophobicContact CE2-CB 4.26Å; F82-I100 HydrophobicContact CE2-CD1 4.38Å; F82-I100 HydrophobicContact CE2-CG2 3.97Å; F82-I100 HydrophobicContact CZ-CB 4.27Å; F82-I100 HydrophobicContact CZ-CG2 4.3Å; F96-I100 HydrophobicContact CD1-CD1 4.19Å; F96-I100 HydrophobicContact CE1-CD1 3.84Å; F96-I100 HydrophobicContact CE1-CG1 4.49Å; F96-I100 PolarHBondContact O-N 3.35Å; L97-I100 HydrophobicContact CD2-CD1 4.06Å; L97-I100 WeakPolarHBondContact O-CB 3.47Å; L97-I100 PolarHBondContact O-N 3.26Å; L97-I100 VanDerWaalsContact O-N 3.14Å; D98-I100 VanDerWaalsContact C-N 3.25Å; D98-I100 PolarHBondContact O-N 2.84Å; I100-Y102 VanDerWaalsContact C-N 3.28Å; I100-Y102 PolarHBondContact O-N 3.41Å; I100-S103 PolarHBondContact O-OG 2.9Å; I100-S103 VanDerWaalsContact O-OG 3.12Å; I100-Y104 HydrophobicContact CG2-CE2 4.13Å; I100-Y104 VanDerWaalsContact O-CD2 3.25Å; I100-Y104 WeakPolarHBondContact O-CD2 3.42Å; I100-Y104 WeakPolarHBondContact O-CE2 3.28Å; I100-F193 HydrophobicContact CG1-CZ 4.44Å; I100-Y316 HydrophobicContact CD1-CD2 4.27Å; I100-Y316 HydrophobicContact CG1-CD2 3.99Å; I100-V319 HydrophobicContact CG2-CG1 4.24Å |
| 101 | T | 93.3 | Very high | 92.3 | Very high | 12 Ų | 12 | 21.5 Ų | 21.5 | 7% | 0.074 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.7 | -27.8 | 179.2 | 70.8 | 0 | 0 | 0 | 0 | 113.2 | F82 L97 D98 F99 S103 Y104 M105 | F82-T101 HydrophobicContact CE1-CG2 3.51Å; F82-T101 HydrophobicContact CZ-CG2 3.73Å; L97-T101 PolarHBondContact O-N 3.41Å; D98-T101 WeakPolarHBondContact O-CA 3.44Å; D98-T101 WeakPolarHBondContact O-CB 3.42Å; D98-T101 PolarHBondContact O-N 2.78Å; D98-T101 PolarHBondContact O-OG1 3.05Å; F99-T101 PolarHBondContact O-N 3.28Å; T101-S103 VanDerWaalsContact C-N 3.3Å; T101-S103 PolarHBondContact O-N 2.92Å; T101-Y104 WeakPolarHBondContact O-CB 3.43Å; T101-Y104 PolarHBondContact O-N 2.98Å; T101-M105 WeakPolarHBondContact O-CG 3.22Å; T101-M105 PolarHBondContact O-N 2.78Å |
| 102 | Y | 92.8 | Very high | 92 | Very high | 38 Ų | 38 | 17.4 Ų | 17.4 | 15% | 0.149 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.3 | -33.1 | -175 | -63.3 | -11.9 | 0 | 0 | 0 | 112.8 | D98 F99 I100 Y104 M105 I106 P159 L160 F163 Y189 | D98-Y102 HydrophobicContact CB-CE1 4.19Å; D98-Y102 WeakPolarHBondContact O-CD1 3.2Å; D98-Y102 WeakPolarHBondContact O-CE1 3.4Å; D98-Y102 PolarHBondContact O-N 3.41Å; F99-Y102 AromaticContact CD1-CD2 3.76Å; F99-Y102 HydrophobicContact CD1-CD2 3.76Å; F99-Y102 AromaticContact CD1-CE2 3.88Å; F99-Y102 HydrophobicContact CD1-CE2 3.88Å; F99-Y102 HydrophobicContact CE1-CD2 4.22Å; F99-Y102 HydrophobicContact CE1-CE2 4.07Å; F99-Y102 HydrophobicContact CG-CD2 4.33Å; F99-Y102 HydrophobicContact CG-CE2 4.26Å; F99-Y102 WeakPolarHBondContact O-CB 3.27Å; F99-Y102 PolarHBondContact O-N 2.95Å; F99-Y102 VanDerWaalsContact O-N 3.11Å; I100-Y102 VanDerWaalsContact C-N 3.28Å; I100-Y102 PolarHBondContact O-N 3.41Å; Y102-Y104 VanDerWaalsContact C-N 3.32Å; Y102-Y104 PolarHBondContact O-N 3.07Å; Y102-M105 HydrophobicContact CD1-SD 3.93Å; Y102-M105 HydrophobicContact CE1-SD 4.46Å; Y102-M105 PolarHBondContact O-N 3Å; Y102-I106 VanDerWaalsContact O-CG1 3.28Å; Y102-I106 WeakPolarHBondContact O-CG1 3.46Å; Y102-I106 PolarHBondContact O-N 3.19Å; Y102-P159 HydrophobicContact CD1-CG 3.99Å; Y102-P159 HydrophobicContact CE1-CB 3.86Å; Y102-P159 HydrophobicContact CE1-CG 3.35Å; Y102-P159 HydrophobicContact CE2-CB 4.46Å; Y102-L160 HydrophobicContact CG-CD2 4.32Å; Y102-F163 HydrophobicContact CD2-CE2 4.04Å; Y102-F163 HydrophobicContact CD2-CZ 4.26Å; Y102-Y189 HydrophobicContact CD2-CD2 4.46Å |
| 103 | S | 93.2 | Very high | 91.5 | Very high | 10 Ų | 10 | 15.1 Ų | 15.1 | 7% | 0.07 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.1 | -42.5 | 174 | 61.4 | 0 | 0 | 0 | 0 | 111.9 | I100 T101 I106 D107 Y186 | I100-S103 PolarHBondContact O-OG 2.9Å; I100-S103 VanDerWaalsContact O-OG 3.12Å; T101-S103 VanDerWaalsContact C-N 3.3Å; T101-S103 PolarHBondContact O-N 2.92Å; S103-I106 PolarHBondContact O-N 3.43Å; S103-D107 PolarHBondContact O-N 3.21Å; S103-D107 VanDerWaalsContact O-N 3.07Å; S103-Y186 PolarHBondContact O-OH 3.41Å |
| 104 | Y | 92.6 | Very high | 91.1 | Very high | 8 Ų | 8 | 17 Ų | 17 | 3% | 0.031 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -70 | -35.5 | 177.4 | -57.2 | -85.2 | 0 | 0 | 0 | 112.4 | I100 T101 Y102 D107 N108 H130 L132 V319 E323 | I100-Y104 HydrophobicContact CG2-CE2 4.13Å; I100-Y104 VanDerWaalsContact O-CD2 3.25Å; I100-Y104 WeakPolarHBondContact O-CD2 3.42Å; I100-Y104 WeakPolarHBondContact O-CE2 3.28Å; T101-Y104 WeakPolarHBondContact O-CB 3.43Å; T101-Y104 PolarHBondContact O-N 2.98Å; Y102-Y104 VanDerWaalsContact C-N 3.32Å; Y102-Y104 PolarHBondContact O-N 3.07Å; Y104-D107 PolarHBondContact O-N 3.06Å; Y104-N108 WeakPolarHBondContact O-CB 3.28Å; Y104-N108 VanDerWaalsContact O-CG 3.27Å; Y104-N108 PolarHBondContact O-N 3.27Å; Y104-H130 HydrophobicContact CD1-CB 4.11Å; Y104-H130 AromaticContact CD1-CE1 3.65Å; Y104-H130 AromaticContact CD1-CG 3.57Å; Y104-H130 AromaticContact CD1-ND1 3.2Å; Y104-H130 WeakPolarHBondContact CD1-ND1 3.44Å; Y104-H130 AromaticContact CE1-CE1 3.54Å; Y104-H130 AromaticContact CE1-ND1 3.62Å; Y104-H130 AromaticContact CE1-NE2 4Å; Y104-H130 AromaticContact CG-ND1 3.85Å; Y104-L132 HydrophobicContact CD1-CB 4.41Å; Y104-L132 HydrophobicContact CD2-CB 3.96Å; Y104-L132 HydrophobicContact CD2-CD1 4.36Å; Y104-L132 HydrophobicContact CE1-CD1 4.46Å; Y104-L132 HydrophobicContact CE2-CB 4.36Å; Y104-L132 HydrophobicContact CE2-CD1 3.91Å; Y104-L132 HydrophobicContact CG-CB 3.97Å; Y104-V319 VanDerWaalsContact OH-CG1 3.29Å; Y104-V319 WeakPolarHBondContact OH-CG1 3.32Å; Y104-E323 WeakPolarHBondContact CE1-OE1 3.42Å; Y104-E323 PolarHBondContact OH-OE1 2.97Å; Y104-E323 PolarHBondContact OH-OE2 3.13Å |
| 105 | M | 90.8 | Very high | 90.7 | Very high | 23 Ų | 23 | 17 Ų | 17 | 11% | 0.113 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.2 | -46 | 174 | -66.6 | -178.4 | -178.6 | 0 | 0 | 110 | T101 Y102 D107 N108 V109 P159 L160 | T101-M105 WeakPolarHBondContact O-CG 3.22Å; T101-M105 PolarHBondContact O-N 2.78Å; Y102-M105 HydrophobicContact CD1-SD 3.93Å; Y102-M105 HydrophobicContact CE1-SD 4.46Å; Y102-M105 PolarHBondContact O-N 3Å; M105-D107 VanDerWaalsContact C-N 3.34Å; M105-D107 PolarHBondContact O-N 3.35Å; M105-N108 PolarHBondContact O-N 3.18Å; M105-V109 WeakPolarHBondContact O-CB 3.37Å; M105-V109 WeakPolarHBondContact O-CG2 3.32Å; M105-V109 PolarHBondContact O-N 3.5Å; M105-P159 HydrophobicContact SD-CG 4.3Å; M105-L160 HydrophobicContact CB-CD1 3.89Å; M105-L160 HydrophobicContact CB-CG 4.43Å |
| 106 | I | 90.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -56.5 | -49.1 | 175.9 | -67.1 | 163.6 | 0 | 0 | 0 | 110.2 | Y102 S103 N108 V109 I110 L160 L185 Y186 Y189 | Y102-I106 VanDerWaalsContact O-CG1 3.28Å; Y102-I106 WeakPolarHBondContact O-CG1 3.46Å; Y102-I106 PolarHBondContact O-N 3.19Å; S103-I106 PolarHBondContact O-N 3.43Å; I106-N108 PolarHBondContact O-N 3.39Å; I106-V109 PolarHBondContact O-N 2.93Å; I106-I110 HydrophobicContact CG2-CG1 4.32Å; I106-I110 VanDerWaalsContact O-CG1 3.26Å; I106-I110 WeakPolarHBondContact O-CG1 3.25Å; I106-I110 PolarHBondContact O-N 2.87Å; I106-L160 HydrophobicContact CD1-CD2 4.33Å; I106-L160 HydrophobicContact CG1-CD1 3.95Å; I106-L160 HydrophobicContact CG1-CD2 3.86Å; I106-L185 HydrophobicContact CD1-CB 4.05Å; I106-L185 HydrophobicContact CG1-CB 4.14Å; I106-L185 HydrophobicContact CG2-CB 3.92Å; I106-L185 HydrophobicContact CG2-CD1 4.03Å; I106-Y186 HydrophobicContact CB-CE2 4.23Å; I106-Y186 HydrophobicContact CG2-CD2 3.71Å; I106-Y186 HydrophobicContact CG2-CE2 3.52Å; I106-Y189 HydrophobicContact CD1-CD1 4.49Å; I106-Y189 HydrophobicContact CD1-CG 4.16Å |
| 107 | D | 91.8 | Very high | 89.6 | Confident | 54 Ų | 54 | 19.1 Ų | 19.1 | 29% | 0.289 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 179.8 | -73.4 | -23.3 | 0 | 0 | 0 | 113.3 | S103 Y104 M105 I110 L111 R182 Y186 | S103-D107 PolarHBondContact O-N 3.21Å; S103-D107 VanDerWaalsContact O-N 3.07Å; Y104-D107 PolarHBondContact O-N 3.06Å; M105-D107 VanDerWaalsContact C-N 3.34Å; M105-D107 PolarHBondContact O-N 3.35Å; D107-I110 PolarHBondContact O-N 3.27Å; D107-L111 WeakPolarHBondContact O-CB 3.41Å; D107-L111 PolarHBondContact O-N 3.48Å; D107-R182 IonicContact OD1-NE 3.55Å; D107-R182 IonicContact OD1-NH2 2.7Å; D107-Y186 WeakPolarHBondContact OD1-CE2 3.49Å; D107-Y186 PolarHBondContact OD1-OH 3.47Å; D107-Y186 PolarHBondContact OD2-OH 3.16Å |
| 108 | N | 89.8 | Confident | 89.1 | Confident | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64 | -44.1 | 175.7 | -75.2 | -8.6 | 0 | 0 | 0 | 111.6 | Y104 M105 I106 I110 L111 L112 C129 H130 G133 | Y104-N108 WeakPolarHBondContact O-CB 3.28Å; Y104-N108 VanDerWaalsContact O-CG 3.27Å; Y104-N108 PolarHBondContact O-N 3.27Å; M105-N108 PolarHBondContact O-N 3.18Å; I106-N108 PolarHBondContact O-N 3.39Å; N108-I110 VanDerWaalsContact C-N 3.34Å; N108-I110 PolarHBondContact O-N 2.97Å; N108-L111 PolarHBondContact O-N 3.26Å; N108-L112 WeakPolarHBondContact O-CB 3.49Å; N108-L112 WeakPolarHBondContact O-CG 3.31Å; N108-L112 PolarHBondContact O-N 3.32Å; N108-C129 HydrophobicContact CB-CB 4.39Å; N108-C129 WeakPolarHBondContact OD1-CA 3.49Å; N108-C129 WeakPolarHBondContact OD1-CB 3.42Å; N108-H130 PolarHBondContact ND2-O 3.38Å; N108-H130 PolarHBondContact OD1-N 2.82Å; N108-G133 VanDerWaalsContact ND2-CA 3.3Å; N108-G133 WeakPolarHBondContact ND2-CA 3.16Å; N108-G133 PolarHBondContact ND2-O 3Å |
| 109 | V | 85.4 | Confident | 88.6 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.4 | -46.4 | 177.4 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | M105 I106 L111 L112 I113 F135 I154 L160 | M105-V109 WeakPolarHBondContact O-CB 3.37Å; M105-V109 WeakPolarHBondContact O-CG2 3.32Å; M105-V109 PolarHBondContact O-N 3.5Å; I106-V109 PolarHBondContact O-N 2.93Å; V109-L111 PolarHBondContact O-N 3.1Å; V109-L112 PolarHBondContact O-N 2.87Å; V109-I113 HydrophobicContact CG1-CD1 3.7Å; V109-I113 HydrophobicContact CG1-CG1 4.45Å; V109-I113 VanDerWaalsContact O-CG1 3.27Å; V109-I113 WeakPolarHBondContact O-CG1 3.42Å; V109-I113 PolarHBondContact O-N 3.02Å; V109-F135 HydrophobicContact CG2-CE1 4.18Å; V109-F135 HydrophobicContact CG2-CZ 4.49Å; V109-I154 HydrophobicContact CB-CG2 4.41Å; V109-I154 HydrophobicContact CG1-CD1 4.08Å; V109-I154 HydrophobicContact CG1-CG2 4.02Å; V109-I154 HydrophobicContact CG2-CD1 4.2Å; V109-I154 HydrophobicContact CG2-CG2 3.46Å; V109-I154 VanDerWaalsContact CG2-CG2 3.46Å; V109-L160 HydrophobicContact CG2-CD1 4.24Å |
| 110 | I | 87.3 | Confident | 88.1 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.015 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.9 | -44.6 | 176.8 | -64.9 | -61.7 | 0 | 0 | 0 | 111 | I106 D107 N108 L112 I113 T114 I178 I181 R182 L185 | I106-I110 HydrophobicContact CG2-CG1 4.32Å; I106-I110 VanDerWaalsContact O-CG1 3.26Å; I106-I110 WeakPolarHBondContact O-CG1 3.25Å; I106-I110 PolarHBondContact O-N 2.87Å; D107-I110 PolarHBondContact O-N 3.27Å; N108-I110 VanDerWaalsContact C-N 3.34Å; N108-I110 PolarHBondContact O-N 2.97Å; I110-L112 VanDerWaalsContact C-N 3.34Å; I110-L112 PolarHBondContact O-N 2.75Å; I110-I113 PolarHBondContact O-N 2.94Å; I110-T114 WeakPolarHBondContact O-CB 3.27Å; I110-T114 PolarHBondContact O-N 2.96Å; I110-T114 PolarHBondContact O-OG1 3.48Å; I110-I178 HydrophobicContact CD1-CG2 4.02Å; I110-I178 HydrophobicContact CG2-CG2 3.73Å; I110-I181 HydrophobicContact CD1-CG2 4.06Å; I110-R182 HydrophobicContact CD1-CB 3.74Å; I110-R182 HydrophobicContact CG1-CB 3.84Å; I110-R182 HydrophobicContact CG1-CG 4.15Å; I110-R182 HydrophobicContact CG2-CB 4.49Å; I110-L185 HydrophobicContact CD1-CD1 4.48Å |
| 111 | L | 88.5 | Confident | 87.5 | Confident | 59 Ų | 59 | 37.6 Ų | 37.6 | 31% | 0.309 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.1 | -42.4 | 177.5 | -179.7 | 64.7 | 0 | 0 | 0 | 112.4 | D107 N108 V109 G115 K128 | D107-L111 WeakPolarHBondContact O-CB 3.41Å; D107-L111 PolarHBondContact O-N 3.48Å; N108-L111 PolarHBondContact O-N 3.26Å; V109-L111 PolarHBondContact O-N 3.1Å; L111-G115 PolarHBondContact O-N 3.3Å; L111-K128 HydrophobicContact CD2-CB 4.05Å |
| 112 | L | 85.2 | Confident | 86.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.7 | -43.7 | 179.4 | -69.7 | 167.8 | 0 | 0 | 0 | 111.7 | N108 V109 I110 G115 T116 I122 L125 M138 V141 L150 | N108-L112 WeakPolarHBondContact O-CB 3.49Å; N108-L112 WeakPolarHBondContact O-CG 3.31Å; N108-L112 PolarHBondContact O-N 3.32Å; V109-L112 PolarHBondContact O-N 2.87Å; I110-L112 VanDerWaalsContact C-N 3.34Å; I110-L112 PolarHBondContact O-N 2.75Å; L112-G115 PolarHBondContact O-N 2.93Å; L112-T116 WeakPolarHBondContact O-CB 3.42Å; L112-T116 PolarHBondContact O-N 3.47Å; L112-T116 PolarHBondContact O-OG1 3.43Å; L112-I122 HydrophobicContact CD2-CG2 4.24Å; L112-L125 HydrophobicContact CD2-CB 4.02Å; L112-M138 HydrophobicContact CD1-SD 4.16Å; L112-V141 HydrophobicContact CD1-CG1 4.37Å; L112-L150 HydrophobicContact CB-CD2 4.06Å |
| 113 | I | 83.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.5 | -49.5 | 177.5 | -66.4 | 170.5 | 0 | 0 | 0 | 110.3 | V109 I110 G115 T116 L117 P147 L150 Y151 I178 | V109-I113 HydrophobicContact CG1-CD1 3.7Å; V109-I113 HydrophobicContact CG1-CG1 4.45Å; V109-I113 VanDerWaalsContact O-CG1 3.27Å; V109-I113 WeakPolarHBondContact O-CG1 3.42Å; V109-I113 PolarHBondContact O-N 3.02Å; I110-I113 PolarHBondContact O-N 2.94Å; I113-G115 VanDerWaalsContact C-N 3.33Å; I113-G115 PolarHBondContact O-N 3.33Å; I113-T116 PolarHBondContact O-N 3.34Å; I113-L117 PolarHBondContact O-N 3Å; I113-P147 HydrophobicContact CG2-CB 4.28Å; I113-L150 HydrophobicContact CG1-CD2 3.98Å; I113-L150 HydrophobicContact CG1-CG 4.26Å; I113-Y151 HydrophobicContact CD1-CD2 4.08Å; I113-I178 HydrophobicContact CG2-CD1 3.88Å; I113-I178 HydrophobicContact CG2-CG1 3.92Å |
| 114 | T | 86 | Confident | 85.9 | Confident | 40 Ų | 40 | 44.5 Ų | 44.5 | 25% | 0.245 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.2 | -41.8 | 177.4 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | I110 L117 H118 I178 | I110-T114 WeakPolarHBondContact O-CB 3.27Å; I110-T114 PolarHBondContact O-N 2.96Å; I110-T114 PolarHBondContact O-OG1 3.48Å; T114-L117 WeakPolarHBondContact O-CB 3.41Å; T114-L117 PolarHBondContact O-N 3.27Å; T114-H118 PolarHBondContact O-N 3.45Å; T114-H118 VanDerWaalsContact O-N 3.15Å; T114-H118 PolarHBondContact O-ND1 3.43Å; T114-I178 WeakPolarHBondContact OG1-CG2 3.19Å |
| 115 | G | 85.7 | Confident | 85.5 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67 | -36.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | L111 L112 I113 H118 Q119 R120 | L111-G115 PolarHBondContact O-N 3.3Å; L112-G115 PolarHBondContact O-N 2.93Å; I113-G115 VanDerWaalsContact C-N 3.33Å; I113-G115 PolarHBondContact O-N 3.33Å; G115-H118 CarbonylContact O-C 3.49Å; G115-H118 PolarHBondContact O-N 2.98Å; G115-Q119 PolarHBondContact O-N 3.34Å; G115-R120 WeakPolarHBondContact O-CB 3.42Å; G115-R120 PolarHBondContact O-N 2.86Å |
| 116 | T | 82.5 | Confident | 85.2 | Confident | 18 Ų | 18 | 45.8 Ų | 45.8 | 11% | 0.11 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.1 | -39.4 | 174.6 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | L112 I113 H118 Q119 P147 L150 | L112-T116 WeakPolarHBondContact O-CB 3.42Å; L112-T116 PolarHBondContact O-N 3.47Å; L112-T116 PolarHBondContact O-OG1 3.43Å; I113-T116 PolarHBondContact O-N 3.34Å; T116-H118 PolarHBondContact O-N 2.81Å; T116-Q119 PolarHBondContact O-N 3.16Å; T116-P147 HydrophobicContact CG2-CG 4.22Å; T116-L150 WeakPolarHBondContact OG1-CD2 3.28Å |
| 117 | L | 84.3 | Confident | 84.9 | Confident | 60 Ų | 60 | 50.4 Ų | 50.4 | 31% | 0.314 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58 | -38.7 | 173.3 | -175.4 | 67 | 0 | 0 | 0 | 111.7 | I113 T114 Q119 P147 L173 E175 I178 | I113-L117 PolarHBondContact O-N 3Å; T114-L117 WeakPolarHBondContact O-CB 3.41Å; T114-L117 PolarHBondContact O-N 3.27Å; L117-Q119 PolarHBondContact O-N 2.93Å; L117-P147 HydrophobicContact CD1-CG 4.49Å; L117-L173 WeakPolarHBondContact CD1-O 3.46Å; L117-E175 HydrophobicContact CD2-CG 3.91Å; L117-I178 HydrophobicContact CB-CD1 4.47Å; L117-I178 HydrophobicContact CD2-CD1 3.73Å |
| 118 | H | 85.2 | Confident | 84.6 | Confident | 91 Ų | 91 | 54.1 Ų | 54.1 | 42% | 0.421 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 12.3 | 175.9 | -71.4 | 89.5 | 0 | 0 | 0 | 114.4 | T114 G115 T116 R120 E175 | T114-H118 PolarHBondContact O-N 3.45Å; T114-H118 VanDerWaalsContact O-N 3.15Å; T114-H118 PolarHBondContact O-ND1 3.43Å; G115-H118 CarbonylContact O-C 3.49Å; G115-H118 PolarHBondContact O-N 2.98Å; T116-H118 PolarHBondContact O-N 2.81Å; H118-R120 HydrophobicContact CB-CG 4.4Å; H118-R120 PolarHBondContact O-N 2.9Å; H118-R120 VanDerWaalsContact O-N 3.17Å; H118-E175 IonicContact CE1-OE1 3.95Å; H118-E175 PolarHBondContact CE1-OE1 2.74Å; H118-E175 IonicContact NE2-OE1 2.74Å; H118-E175 PolarHBondContact NE2-OE1 3.32Å; H118-E175 VanDerWaalsContact NE2-OE1 3.08Å |
| 119 | Q | 82.2 | Confident | 84.5 | Confident | 183 Ų | 183 | 54.5 Ų | 54.5 | 86% | 0.855 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 27.3 | 179.9 | -54.6 | 176.5 | -4.5 | 0 | 0 | 113.8 | G115 T116 L117 | G115-Q119 PolarHBondContact O-N 3.34Å; T116-Q119 PolarHBondContact O-N 3.16Å; L117-Q119 PolarHBondContact O-N 2.93Å |
| 120 | R | 83.7 | Confident | 84.7 | Confident | 131 Ų | 131 | 56.1 Ų | 56.1 | 49% | 0.494 | 30% | 0.295 | S | S | . | . | trans | -82 | 142.6 | 172.5 | -64.4 | -175 | 179.3 | 173.5 | 1 | 109.7 | G115 H118 L125 | G115-R120 WeakPolarHBondContact O-CB 3.42Å; G115-R120 PolarHBondContact O-N 2.86Å; H118-R120 HydrophobicContact CB-CG 4.4Å; H118-R120 PolarHBondContact O-N 2.9Å; H118-R120 VanDerWaalsContact O-N 3.17Å; R120-L125 HydrophobicContact CB-CD1 4.31Å; R120-L125 HydrophobicContact CB-CD2 4.25Å; R120-L125 HydrophobicContact CB-CG 4.29Å | ||
| 121 | S | 82.3 | Confident | 84.8 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 36% | 0.357 | 31% | 0.309 | S | S | . | . | trans | -67.1 | 138.9 | 176.5 | 72.7 | 0 | 0 | 0 | 0 | 110.1 | A123 E124 L125 | S121-A123 PolarHBondContact O-N 3.21Å; S121-E124 WeakPolarHBondContact O-CB 3.39Å; S121-E124 PolarHBondContact O-N 3.06Å; S121-E124 WeakPolarHBondContact OG-CG 3.46Å; S121-E124 PolarHBondContact OG-N 3.23Å; S121-E124 PolarHBondContact OG-OE1 3.29Å; S121-L125 PolarHBondContact O-N 3.12Å | ||
| 122 | I | 80.1 | Confident | 84.8 | Confident | 16 Ų | 16 | 55.9 Ų | 55.9 | 8% | 0.082 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.8 | -34.6 | 178.5 | -66.4 | 169.7 | 0 | 0 | 0 | 110.4 | L112 E124 L125 V126 V141 N142 | L112-I122 HydrophobicContact CD2-CG2 4.24Å; I122-E124 PolarHBondContact O-N 3.43Å; I122-L125 PolarHBondContact O-N 3.4Å; I122-V126 HydrophobicContact CG2-CG2 3.87Å; I122-V126 WeakPolarHBondContact O-CG2 3.32Å; I122-V126 PolarHBondContact O-N 3.11Å; I122-V141 HydrophobicContact CD1-CG1 3.83Å; I122-V141 WeakPolarHBondContact CD1-O 3.37Å; I122-V141 HydrophobicContact CG1-CG1 4.49Å; I122-V141 HydrophobicContact CG2-CG1 3.82Å; I122-N142 WeakPolarHBondContact CB-OD1 3.2Å; I122-N142 WeakPolarHBondContact CG2-OD1 3.32Å |
| 123 | A | 81.6 | Confident | 84.8 | Confident | 71 Ų | 71 | 55.9 Ų | 55.9 | 59% | 0.587 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57.9 | -29.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S121 P127 | S121-A123 PolarHBondContact O-N 3.21Å; A123-P127 WeakPolarHBondContact O-CD 3.3Å |
| 124 | E | 84.4 | Confident | 84.7 | Confident | 118 Ų | 118 | 58.5 Ų | 58.5 | 55% | 0.551 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -82.4 | -22 | 173.6 | -74.4 | 164.2 | -135.6 | 0 | 0 | 113.4 | S121 I122 | S121-E124 WeakPolarHBondContact O-CB 3.39Å; S121-E124 PolarHBondContact O-N 3.06Å; S121-E124 WeakPolarHBondContact OG-CG 3.46Å; S121-E124 PolarHBondContact OG-N 3.23Å; S121-E124 PolarHBondContact OG-OE1 3.29Å; I122-E124 PolarHBondContact O-N 3.43Å |
| 125 | L | 84.6 | Confident | 84.4 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -89.9 | -35 | -177.8 | -62.8 | 169.9 | 0 | 0 | 0 | 112.5 | L112 R120 S121 I122 K128 C129 | L112-L125 HydrophobicContact CD2-CB 4.02Å; R120-L125 HydrophobicContact CB-CD1 4.31Å; R120-L125 HydrophobicContact CB-CD2 4.25Å; R120-L125 HydrophobicContact CB-CG 4.29Å; S121-L125 PolarHBondContact O-N 3.12Å; I122-L125 PolarHBondContact O-N 3.4Å; L125-K128 WeakPolarHBondContact O-CA 3.29Å; L125-K128 WeakPolarHBondContact O-CB 3.41Å; L125-K128 PolarHBondContact O-N 3.46Å; L125-C129 PolarHBondContact O-N 3.25Å; L125-C129 PolarHBondContact O-SG 3.35Å; L125-C129 VanDerWaalsContact O-SG 3.37Å |
| 126 | V | 84.1 | Confident | 83.7 | Confident | 56 Ų | 56 | 65.8 Ų | 65.8 | 34% | 0.339 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -54.5 | -44.5 | -179.9 | 168.2 | 0 | 0 | 0 | 0 | 112.3 | I122 K128 C129 | I122-V126 HydrophobicContact CG2-CG2 3.87Å; I122-V126 WeakPolarHBondContact O-CG2 3.32Å; I122-V126 PolarHBondContact O-N 3.11Å; V126-K128 PolarHBondContact O-N 2.63Å; V126-K128 VanDerWaalsContact O-N 3.15Å; V126-C129 VanDerWaalsContact O-CB 3.32Å; V126-C129 WeakPolarHBondContact O-CB 3.46Å; V126-C129 PolarHBondContact O-N 3.36Å |
| 127 | P | 84.9 | Confident | 83.1 | Confident | 98 Ų | 98 | 67.6 Ų | 67.6 | 64% | 0.636 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -62.8 | -20.7 | 175.7 | -23.5 | 34.8 | 0 | 0 | 0 | 114.3 | A123 | A123-P127 WeakPolarHBondContact O-CD 3.3Š|
| 128 | K | 86 | Confident | 82.4 | Confident | 131 Ų | 131 | 65.9 Ų | 65.9 | 57% | 0.57 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -88.8 | -11.6 | 178 | -59.1 | -179.4 | -178.7 | 176.7 | 0 | 112.9 | L111 L125 V126 | L111-K128 HydrophobicContact CD2-CB 4.05Å; L125-K128 WeakPolarHBondContact O-CA 3.29Å; L125-K128 WeakPolarHBondContact O-CB 3.41Å; L125-K128 PolarHBondContact O-N 3.46Å; V126-K128 PolarHBondContact O-N 2.63Å; V126-K128 VanDerWaalsContact O-N 3.15Å |
| 129 | C | 87.5 | Confident | 81.5 | Confident | 13 Ų | 13 | 69.2 Ų | 69.2 | 9% | 0.088 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -71.8 | 145.2 | 177.9 | -66 | 0 | 0 | 0 | 0 | 110.5 | N108 L125 V126 M138 | N108-C129 HydrophobicContact CB-CB 4.39Å; N108-C129 WeakPolarHBondContact OD1-CA 3.49Å; N108-C129 WeakPolarHBondContact OD1-CB 3.42Å; L125-C129 PolarHBondContact O-N 3.25Å; L125-C129 PolarHBondContact O-SG 3.35Å; L125-C129 VanDerWaalsContact O-SG 3.37Å; V126-C129 VanDerWaalsContact O-CB 3.32Å; V126-C129 WeakPolarHBondContact O-CB 3.46Å; V126-C129 PolarHBondContact O-N 3.36Å; C129-M138 HydrophobicContact CB-CE 4.12Å |
| 130 | H | 89.9 | Confident | 80.8 | Confident | 33 Ų | 33 | 62.9 Ų | 62.9 | 15% | 0.153 | 34% | 0.337 | C | S | . | . | trans | -72.2 | 129 | 177.6 | -166.3 | -90.5 | 0 | 0 | 0 | 110.6 | Y104 N108 L132 G133 | Y104-H130 HydrophobicContact CD1-CB 4.11Å; Y104-H130 AromaticContact CD1-CE1 3.65Å; Y104-H130 AromaticContact CD1-CG 3.57Å; Y104-H130 AromaticContact CD1-ND1 3.2Å; Y104-H130 WeakPolarHBondContact CD1-ND1 3.44Å; Y104-H130 AromaticContact CE1-CE1 3.54Å; Y104-H130 AromaticContact CE1-ND1 3.62Å; Y104-H130 AromaticContact CE1-NE2 4Å; Y104-H130 AromaticContact CG-ND1 3.85Å; N108-H130 PolarHBondContact ND2-O 3.38Å; N108-H130 PolarHBondContact OD1-N 2.82Å; H130-L132 WeakPolarHBondContact ND1-CB 3.48Å; H130-L132 PolarHBondContact ND1-N 3.2Å; H130-L132 PolarHBondContact O-N 2.9Å; H130-L132 VanDerWaalsContact O-N 3.13Å; H130-G133 PolarHBondContact O-N 3.28Å | ||
| 131 | P | 88.5 | Confident | 80 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -67.5 | -15.2 | -173.9 | -19.7 | 30.2 | 0 | 0 | 0 | 115.6 | V79 R83 S134 | V79-P131 HydrophobicContact CG1-CB 4.21Å; V79-P131 HydrophobicContact CG2-CB 3.77Å; V79-P131 HydrophobicContact CG2-CG 4.19Å; R83-P131 PolarHBondContact NH2-O 3.19Å; R83-P131 VanDerWaalsContact NH2-O 3.11Å; P131-S134 PolarHBondContact O-OG 3.11Å |
| 132 | L | 89.2 | Confident | 79.4 | Confident | 9 Ų | 9 | 58.4 Ų | 58.4 | 5% | 0.047 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -76.6 | -24.3 | 170.8 | -68.3 | -177.2 | 0 | 0 | 0 | 113.2 | M78 V79 F82 Y104 H130 S134 | M78-L132 HydrophobicContact CE-CD1 4.12Å; V79-L132 HydrophobicContact CB-CD2 4.19Å; V79-L132 HydrophobicContact CG1-CD2 4.07Å; V79-L132 HydrophobicContact CG2-CD2 3.89Å; V79-L132 HydrophobicContact CG2-CG 3.82Å; F82-L132 HydrophobicContact CB-CD2 3.95Å; F82-L132 HydrophobicContact CD1-CD1 4.43Å; F82-L132 HydrophobicContact CD1-CD2 3.45Å; F82-L132 VanDerWaalsContact CD1-CD2 3.45Å; F82-L132 HydrophobicContact CE1-CD2 4.16Å; F82-L132 HydrophobicContact CG-CD1 4.23Å; F82-L132 HydrophobicContact CG-CD2 3.82Å; Y104-L132 HydrophobicContact CD1-CB 4.41Å; Y104-L132 HydrophobicContact CD2-CB 3.96Å; Y104-L132 HydrophobicContact CD2-CD1 4.36Å; Y104-L132 HydrophobicContact CE1-CD1 4.46Å; Y104-L132 HydrophobicContact CE2-CB 4.36Å; Y104-L132 HydrophobicContact CE2-CD1 3.91Å; Y104-L132 HydrophobicContact CG-CB 3.97Å; H130-L132 WeakPolarHBondContact ND1-CB 3.48Å; H130-L132 PolarHBondContact ND1-N 3.2Å; H130-L132 PolarHBondContact O-N 2.9Å; H130-L132 VanDerWaalsContact O-N 3.13Å; L132-S134 VanDerWaalsContact C-N 3.27Å |
| 133 | G | 83.7 | Confident | 78.9 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -92.6 | 17.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N108 H130 | N108-G133 VanDerWaalsContact ND2-CA 3.3Å; N108-G133 WeakPolarHBondContact ND2-CA 3.16Å; N108-G133 PolarHBondContact ND2-O 3Å; H130-G133 PolarHBondContact O-N 3.28Å |
| 134 | S | 82.9 | Confident | 78.5 | Confident | 54 Ų | 54 | 61.4 Ų | 61.4 | 38% | 0.378 | 33% | 0.326 | S | S | . | . | trans | -79.7 | 130.9 | -179.7 | 64.8 | 0 | 0 | 0 | 0 | 111.8 | P131 L132 M138 | P131-S134 PolarHBondContact O-OG 3.11Å; L132-S134 VanDerWaalsContact C-N 3.27Å; S134-M138 VanDerWaalsContact CA-CE 3.44Å | ||
| 135 | F | 78.2 | Confident | 77.9 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 11% | 0.105 | 34% | 0.337 | C | S | . | . | trans | -124 | 152.2 | 174.4 | 53.4 | -88.8 | 0 | 0 | 0 | 109.8 | V109 Q137 M138 V141 I154 T158 | V109-F135 HydrophobicContact CG2-CE1 4.18Å; V109-F135 HydrophobicContact CG2-CZ 4.49Å; F135-Q137 HydrophobicContact CD2-CB 3.99Å; F135-Q137 HydrophobicContact CE2-CB 4.24Å; F135-Q137 PolarHBondContact O-N 3.42Å; F135-Q137 VanDerWaalsContact O-N 3.17Å; F135-M138 HydrophobicContact CD1-CG 4.12Å; F135-M138 HydrophobicContact CD2-CG 4.1Å; F135-M138 HydrophobicContact CE1-CG 3.84Å; F135-M138 HydrophobicContact CE2-CB 4.48Å; F135-M138 HydrophobicContact CE2-CG 3.83Å; F135-M138 HydrophobicContact CG-CG 4.24Å; F135-M138 HydrophobicContact CZ-CG 3.69Å; F135-M138 WeakPolarHBondContact O-CB 3.48Å; F135-M138 PolarHBondContact O-N 3.45Å; F135-V141 HydrophobicContact CE2-CG2 4.27Å; F135-I154 HydrophobicContact CE2-CG1 4.25Å; F135-I154 HydrophobicContact CZ-CD1 4.34Å; F135-I154 HydrophobicContact CZ-CG1 3.97Å; F135-I154 HydrophobicContact CZ-CG2 4.3Å; F135-T158 HydrophobicContact CD2-CG2 4.2Å; F135-T158 HydrophobicContact CE2-CG2 4.48Å; F135-T158 HydrophobicContact CG-CG2 4.24Å | ||
| 136 | E | 71.5 | Confident | 77.4 | Confident | 174 Ų | 174 | 66.7 Ų | 66.7 | 81% | 0.813 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -35 | -171.3 | -64.2 | -173.8 | 161 | 0 | 0 | 112.7 | M138 | E136-M138 PolarHBondContact O-N 2.91Š|
| 137 | Q | 69.6 | Low | 77 | Confident | 57 Ų | 57 | 65.1 Ų | 65.1 | 27% | 0.266 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 0.8 | -177.4 | -60.7 | 75.1 | 9.4 | 0 | 0 | 113.5 | F135 E139 A140 V141 D157 | F135-Q137 HydrophobicContact CD2-CB 3.99Å; F135-Q137 HydrophobicContact CE2-CB 4.24Å; F135-Q137 PolarHBondContact O-N 3.42Å; F135-Q137 VanDerWaalsContact O-N 3.17Å; Q137-E139 PolarHBondContact O-N 3.35Å; Q137-E139 VanDerWaalsContact O-N 3.1Å; Q137-A140 HydrophobicContact CB-CB 4.4Å; Q137-A140 WeakPolarHBondContact O-CA 3.44Å; Q137-A140 WeakPolarHBondContact O-CB 3.48Å; Q137-A140 PolarHBondContact O-N 3.42Å; Q137-V141 WeakPolarHBondContact O-CG2 3.46Å; Q137-V141 PolarHBondContact O-N 2.94Å; Q137-D157 HydrophobicContact CG-CB 4.31Å |
| 138 | M | 70.1 | Confident | 76.6 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.2 | -25.5 | 170.6 | -86 | -135.9 | -125.4 | 0 | 0 | 112.5 | L112 C129 S134 F135 E136 V141 | L112-M138 HydrophobicContact CD1-SD 4.16Å; C129-M138 HydrophobicContact CB-CE 4.12Å; S134-M138 VanDerWaalsContact CA-CE 3.44Å; F135-M138 HydrophobicContact CD1-CG 4.12Å; F135-M138 HydrophobicContact CD2-CG 4.1Å; F135-M138 HydrophobicContact CE1-CG 3.84Å; F135-M138 HydrophobicContact CE2-CB 4.48Å; F135-M138 HydrophobicContact CE2-CG 3.83Å; F135-M138 HydrophobicContact CG-CG 4.24Å; F135-M138 HydrophobicContact CZ-CG 3.69Å; F135-M138 WeakPolarHBondContact O-CB 3.48Å; F135-M138 PolarHBondContact O-N 3.45Å; E136-M138 PolarHBondContact O-N 2.91Å; M138-V141 WeakPolarHBondContact O-CB 3.33Å |
| 139 | E | 65.8 | Low | 76.2 | Confident | 161 Ų | 161 | 60.4 Ų | 60.4 | 75% | 0.752 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -72.8 | -38 | 172.7 | -65.6 | -171 | 174.7 | 0 | 0 | 112.6 | Q137 V141 N142 | Q137-E139 PolarHBondContact O-N 3.35Å; Q137-E139 VanDerWaalsContact O-N 3.1Å; E139-V141 VanDerWaalsContact C-N 3.27Å; E139-V141 PolarHBondContact O-N 3.35Å; E139-N142 VanDerWaalsContact O-CB 3.31Å; E139-N142 WeakPolarHBondContact O-CB 3.32Å; E139-N142 PolarHBondContact O-N 3.21Å; E139-N142 PolarHBondContact O-ND2 3Å; E139-N142 VanDerWaalsContact O-ND2 3.11Å |
| 140 | A | 67.3 | Low | 75.7 | Confident | 51 Ų | 51 | 59.8 Ų | 59.8 | 42% | 0.421 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.8 | -30.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q137 N142 I143 | Q137-A140 HydrophobicContact CB-CB 4.4Å; Q137-A140 WeakPolarHBondContact O-CA 3.44Å; Q137-A140 WeakPolarHBondContact O-CB 3.48Å; Q137-A140 PolarHBondContact O-N 3.42Å; A140-N142 PolarHBondContact O-N 3.26Å; A140-I143 WeakPolarHBondContact O-CB 3.2Å; A140-I143 PolarHBondContact O-N 3.43Å |
| 141 | V | 68.2 | Low | 74.9 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.012 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -54 | -33 | 172.9 | 157.3 | 0 | 0 | 0 | 0 | 111.8 | L112 I122 F135 Q137 M138 E139 I143 A144 L150 I154 | L112-V141 HydrophobicContact CD1-CG1 4.37Å; I122-V141 HydrophobicContact CD1-CG1 3.83Å; I122-V141 WeakPolarHBondContact CD1-O 3.37Å; I122-V141 HydrophobicContact CG1-CG1 4.49Å; I122-V141 HydrophobicContact CG2-CG1 3.82Å; F135-V141 HydrophobicContact CE2-CG2 4.27Å; Q137-V141 WeakPolarHBondContact O-CG2 3.46Å; Q137-V141 PolarHBondContact O-N 2.94Å; M138-V141 WeakPolarHBondContact O-CB 3.33Å; E139-V141 VanDerWaalsContact C-N 3.27Å; E139-V141 PolarHBondContact O-N 3.35Å; V141-I143 PolarHBondContact O-N 3.41Å; V141-A144 WeakPolarHBondContact O-CB 3.29Å; V141-A144 PolarHBondContact O-N 2.88Å; V141-L150 HydrophobicContact CB-CD1 3.79Å; V141-L150 HydrophobicContact CG1-CD1 3.2Å; V141-L150 HydrophobicContact CG2-CD1 3.57Å; V141-I154 HydrophobicContact CG2-CD1 4.19Å; V141-I154 HydrophobicContact CG2-CG1 3.73Å |
| 142 | N | 68.7 | Low | 74.3 | Confident | 86 Ų | 86 | 59.8 Ų | 59.8 | 46% | 0.46 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -17.4 | 177 | -68.9 | -52.7 | 0 | 0 | 0 | 114.7 | I122 E139 A140 | I122-N142 WeakPolarHBondContact CB-OD1 3.2Å; I122-N142 WeakPolarHBondContact CG2-OD1 3.32Å; E139-N142 VanDerWaalsContact O-CB 3.31Å; E139-N142 WeakPolarHBondContact O-CB 3.32Å; E139-N142 PolarHBondContact O-N 3.21Å; E139-N142 PolarHBondContact O-ND2 3Å; E139-N142 VanDerWaalsContact O-ND2 3.11Å; A140-N142 PolarHBondContact O-N 3.26Å |
| 143 | I | 70.4 | Confident | 73.7 | Confident | 137 Ų | 137 | 61.3 Ų | 61.3 | 70% | 0.703 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -25.6 | -179.3 | -56.6 | 169.8 | 0 | 0 | 0 | 111.1 | A140 V141 Q145 | A140-I143 WeakPolarHBondContact O-CB 3.2Å; A140-I143 PolarHBondContact O-N 3.43Å; V141-I143 PolarHBondContact O-N 3.41Å; I143-Q145 PolarHBondContact O-N 3.42Å |
| 144 | A | 72.8 | Confident | 73.3 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | trans | -68.1 | 125.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V141 E149 L150 | V141-A144 WeakPolarHBondContact O-CB 3.29Å; V141-A144 PolarHBondContact O-N 2.88Å; A144-E149 HydrophobicContact CB-CB 3.94Å; A144-L150 HydrophobicContact CB-CB 3.81Å; A144-L150 HydrophobicContact CB-CD1 4.35Å | ||
| 145 | Q | 71.7 | Confident | 72.7 | Confident | 170 Ų | 170 | 60.2 Ų | 60.2 | 79% | 0.794 | 32% | 0.319 | S | S | * | . | trans | -99.9 | -20.3 | 179.5 | -62.5 | -170.1 | -3.4 | 0 | 0 | 112.2 | I143 E149 | I143-Q145 PolarHBondContact O-N 3.42Å; Q145-E149 PolarHBondContact N-OE2 3.42Å | ||
| 146 | T | 75.4 | Confident | 72.3 | Confident | 59 Ų | 59 | 64.4 Ų | 64.4 | 36% | 0.362 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -116.1 | 148.3 | 178.5 | 68.5 | 0 | 0 | 0 | 0 | 111 | A148 E149 L150 | T146-A148 PolarHBondContact O-N 3.11Å; T146-E149 PolarHBondContact N-OE2 3.43Å; T146-E149 PolarHBondContact O-N 2.73Å; T146-E149 WeakPolarHBondContact OG1-CB 3.49Å; T146-E149 VanDerWaalsContact OG1-CG 3.24Å; T146-E149 WeakPolarHBondContact OG1-CG 3.12Å; T146-E149 PolarHBondContact OG1-N 3.11Å; T146-E149 VanDerWaalsContact OG1-N 3.12Å; T146-L150 WeakPolarHBondContact O-CB 3.35Å; T146-L150 PolarHBondContact O-N 3.46Å |
| 147 | P | 75.3 | Confident | 72.3 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 16% | 0.156 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -54.6 | -31.6 | 172.3 | -28.6 | 37 | 0 | 0 | 0 | 113.4 | I113 T116 L117 Y151 L173 | I113-P147 HydrophobicContact CG2-CB 4.28Å; T116-P147 HydrophobicContact CG2-CG 4.22Å; L117-P147 HydrophobicContact CD1-CG 4.49Å; P147-Y151 WeakPolarHBondContact O-CB 3.37Å; P147-Y151 PolarHBondContact O-N 2.66Å; P147-L173 HydrophobicContact CB-CB 4.31Å; P147-L173 HydrophobicContact CB-CD1 3.58Å |
| 148 | A | 75.7 | Confident | 72.7 | Confident | 30 Ų | 30 | 58.8 Ų | 58.8 | 25% | 0.248 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.1 | -42.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T146 L150 Y151 N152 L173 | T146-A148 PolarHBondContact O-N 3.11Å; A148-L150 VanDerWaalsContact C-N 3.3Å; A148-L150 PolarHBondContact O-N 3.18Å; A148-Y151 PolarHBondContact O-N 3.17Å; A148-N152 WeakPolarHBondContact O-CB 3.25Å; A148-N152 PolarHBondContact O-N 2.65Å; A148-N152 PolarHBondContact O-ND2 2.9Å; A148-L173 HydrophobicContact CB-CD1 4.33Å |
| 149 | E | 77.4 | Confident | 73.1 | Confident | 99 Ų | 99 | 60.6 Ų | 60.6 | 46% | 0.463 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 171.9 | -77.3 | 168.5 | -177 | 0 | 0 | 111.2 | A144 Q145 T146 N152 A153 | A144-E149 HydrophobicContact CB-CB 3.94Å; Q145-E149 PolarHBondContact N-OE2 3.42Å; T146-E149 PolarHBondContact N-OE2 3.43Å; T146-E149 PolarHBondContact O-N 2.73Å; T146-E149 WeakPolarHBondContact OG1-CB 3.49Å; T146-E149 VanDerWaalsContact OG1-CG 3.24Å; T146-E149 WeakPolarHBondContact OG1-CG 3.12Å; T146-E149 PolarHBondContact OG1-N 3.11Å; T146-E149 VanDerWaalsContact OG1-N 3.12Å; E149-N152 PolarHBondContact O-N 3.05Å; E149-A153 VanDerWaalsContact O-CB 3.24Å; E149-A153 WeakPolarHBondContact O-CB 3.16Å; E149-A153 PolarHBondContact O-N 3.31Å |
| 150 | L | 76.7 | Confident | 73.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.1 | -49.5 | 177.8 | 175.2 | 57.2 | 0 | 0 | 0 | 111 | L112 I113 T116 V141 A144 T146 A148 A153 I154 | L112-L150 HydrophobicContact CB-CD2 4.06Å; I113-L150 HydrophobicContact CG1-CD2 3.98Å; I113-L150 HydrophobicContact CG1-CG 4.26Å; T116-L150 WeakPolarHBondContact OG1-CD2 3.28Å; V141-L150 HydrophobicContact CB-CD1 3.79Å; V141-L150 HydrophobicContact CG1-CD1 3.2Å; V141-L150 HydrophobicContact CG2-CD1 3.57Å; A144-L150 HydrophobicContact CB-CB 3.81Å; A144-L150 HydrophobicContact CB-CD1 4.35Å; T146-L150 WeakPolarHBondContact O-CB 3.35Å; T146-L150 PolarHBondContact O-N 3.46Å; A148-L150 VanDerWaalsContact C-N 3.3Å; A148-L150 PolarHBondContact O-N 3.18Å; L150-A153 PolarHBondContact O-N 3.46Å; L150-I154 HydrophobicContact CD1-CD1 3.49Å; L150-I154 VanDerWaalsContact CD1-CD1 3.49Å; L150-I154 HydrophobicContact CD1-CG1 4.01Å; L150-I154 HydrophobicContact CG-CD1 3.77Å; L150-I154 WeakPolarHBondContact O-CB 3.44Å; L150-I154 WeakPolarHBondContact O-CG1 3.47Å; L150-I154 PolarHBondContact O-N 2.8Å |
| 151 | Y | 73.3 | Confident | 74.2 | Confident | 20 Ų | 20 | 52.3 Ų | 52.3 | 8% | 0.078 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -53.2 | -56.5 | 175.1 | 179.4 | -98.8 | 0 | 0 | 0 | 110.2 | I113 P147 A148 A153 I154 L155 F164 | I113-Y151 HydrophobicContact CD1-CD2 4.08Å; P147-Y151 WeakPolarHBondContact O-CB 3.37Å; P147-Y151 PolarHBondContact O-N 2.66Å; A148-Y151 PolarHBondContact O-N 3.17Å; Y151-A153 PolarHBondContact O-N 3.44Å; Y151-I154 PolarHBondContact O-N 3.31Å; Y151-L155 HydrophobicContact CD1-CD1 3.61Å; Y151-L155 HydrophobicContact CD1-CG 4.17Å; Y151-L155 HydrophobicContact CE1-CD1 3.18Å; Y151-L155 HydrophobicContact CE1-CG 4.1Å; Y151-L155 HydrophobicContact CE2-CD1 4.3Å; Y151-L155 HydrophobicContact CG-CD1 4.32Å; Y151-L155 HydrophobicContact CG-CG 4.45Å; Y151-L155 WeakPolarHBondContact O-CB 3.4Å; Y151-L155 WeakPolarHBondContact O-CG 3.12Å; Y151-L155 PolarHBondContact O-N 3.36Å; Y151-F164 HydrophobicContact CD2-CE1 4.21Å; Y151-F164 AromaticContact CE2-CD1 3.66Å; Y151-F164 HydrophobicContact CE2-CD1 3.66Å; Y151-F164 AromaticContact CE2-CE1 3.33Å; Y151-F164 HydrophobicContact CE2-CE1 3.33Å; Y151-F164 HydrophobicContact CE2-CZ 4.23Å; Y151-F164 AromaticContact CZ-CD1 3.69Å; Y151-F164 AromaticContact CZ-CE1 3.88Å; Y151-F164 WeakPolarHBondContact OH-CD1 3.47Å |
| 152 | N | 77.1 | Confident | 74.7 | Confident | 62 Ų | 62 | 55.3 Ų | 55.3 | 33% | 0.332 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.4 | -39.5 | -179.7 | -75.5 | -29.1 | 0 | 0 | 0 | 113.4 | A148 E149 I154 L155 V156 E170 | A148-N152 WeakPolarHBondContact O-CB 3.25Å; A148-N152 PolarHBondContact O-N 2.65Å; A148-N152 PolarHBondContact O-ND2 2.9Å; E149-N152 PolarHBondContact O-N 3.05Å; N152-I154 PolarHBondContact O-N 3.08Å; N152-L155 PolarHBondContact O-N 3.33Å; N152-V156 VanDerWaalsContact O-CG2 3.31Å; N152-V156 WeakPolarHBondContact O-CG2 3.38Å; N152-V156 PolarHBondContact O-N 3.19Å; N152-E170 PolarHBondContact ND2-OE1 3Å; N152-E170 PolarHBondContact OD1-OE1 2.93Å |
| 153 | A | 76.8 | Confident | 75.1 | Confident | 42 Ų | 42 | 52.1 Ų | 52.1 | 35% | 0.347 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | E149 L150 Y151 | E149-A153 VanDerWaalsContact O-CB 3.24Å; E149-A153 WeakPolarHBondContact O-CB 3.16Å; E149-A153 PolarHBondContact O-N 3.31Å; L150-A153 PolarHBondContact O-N 3.46Å; Y151-A153 PolarHBondContact O-N 3.44Å |
| 154 | I | 73.9 | Confident | 75.1 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.1 | -37.9 | 176.4 | -68.7 | 170 | 0 | 0 | 0 | 110.6 | V109 F135 V141 L150 Y151 N152 V156 T158 | V109-I154 HydrophobicContact CB-CG2 4.41Å; V109-I154 HydrophobicContact CG1-CD1 4.08Å; V109-I154 HydrophobicContact CG1-CG2 4.02Å; V109-I154 HydrophobicContact CG2-CD1 4.2Å; V109-I154 HydrophobicContact CG2-CG2 3.46Å; V109-I154 VanDerWaalsContact CG2-CG2 3.46Å; F135-I154 HydrophobicContact CE2-CG1 4.25Å; F135-I154 HydrophobicContact CZ-CD1 4.34Å; F135-I154 HydrophobicContact CZ-CG1 3.97Å; F135-I154 HydrophobicContact CZ-CG2 4.3Å; V141-I154 HydrophobicContact CG2-CD1 4.19Å; V141-I154 HydrophobicContact CG2-CG1 3.73Å; L150-I154 HydrophobicContact CD1-CD1 3.49Å; L150-I154 VanDerWaalsContact CD1-CD1 3.49Å; L150-I154 HydrophobicContact CD1-CG1 4.01Å; L150-I154 HydrophobicContact CG-CD1 3.77Å; L150-I154 WeakPolarHBondContact O-CB 3.44Å; L150-I154 WeakPolarHBondContact O-CG1 3.47Å; L150-I154 PolarHBondContact O-N 2.8Å; Y151-I154 PolarHBondContact O-N 3.31Å; N152-I154 PolarHBondContact O-N 3.08Å; I154-V156 PolarHBondContact O-N 3.21Å; I154-T158 HydrophobicContact CG2-CG2 4.08Å; I154-T158 WeakPolarHBondContact O-CB 3.46Å; I154-T158 WeakPolarHBondContact O-CG2 3.2Å; I154-T158 PolarHBondContact O-N 3.07Å; I154-T158 PolarHBondContact O-OG1 2.94Å |
| 155 | L | 70.8 | Confident | 74.6 | Confident | 28 Ų | 28 | 53.4 Ų | 53.4 | 15% | 0.147 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.7 | -34.6 | -175.5 | -74.9 | -168 | 0 | 0 | 0 | 114.7 | Y151 N152 D157 A161 F164 | Y151-L155 HydrophobicContact CD1-CD1 3.61Å; Y151-L155 HydrophobicContact CD1-CG 4.17Å; Y151-L155 HydrophobicContact CE1-CD1 3.18Å; Y151-L155 HydrophobicContact CE1-CG 4.1Å; Y151-L155 HydrophobicContact CE2-CD1 4.3Å; Y151-L155 HydrophobicContact CG-CD1 4.32Å; Y151-L155 HydrophobicContact CG-CG 4.45Å; Y151-L155 WeakPolarHBondContact O-CB 3.4Å; Y151-L155 WeakPolarHBondContact O-CG 3.12Å; Y151-L155 PolarHBondContact O-N 3.36Å; N152-L155 PolarHBondContact O-N 3.33Å; L155-D157 VanDerWaalsContact C-N 3.32Å; L155-D157 PolarHBondContact O-N 3.46Å; L155-A161 WeakPolarHBondContact O-CB 3.36Å; L155-F164 HydrophobicContact CD1-CB 4.33Å; L155-F164 HydrophobicContact CD1-CG 4.38Å; L155-F164 HydrophobicContact CD2-CB 3.75Å; L155-F164 HydrophobicContact CD2-CD1 3.65Å; L155-F164 HydrophobicContact CD2-CD2 2.93Å; L155-F164 HydrophobicContact CD2-CE1 3.82Å; L155-F164 HydrophobicContact CD2-CE2 3.13Å; L155-F164 HydrophobicContact CD2-CG 3.18Å; L155-F164 HydrophobicContact CD2-CZ 3.55Å; L155-F164 HydrophobicContact CG-CD2 4.39Å; L155-F164 HydrophobicContact CG-CG 4.4Å |
| 156 | V | 70.4 | Confident | 74.1 | Confident | 112 Ų | 112 | 52.5 Ų | 52.5 | 68% | 0.679 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.3 | -35.2 | -168.6 | 171.3 | 0 | 0 | 0 | 0 | 112.2 | N152 I154 | N152-V156 VanDerWaalsContact O-CG2 3.31Å; N152-V156 WeakPolarHBondContact O-CG2 3.38Å; N152-V156 PolarHBondContact O-N 3.19Å; I154-V156 PolarHBondContact O-N 3.21Å |
| 157 | D | 71.6 | Confident | 73.4 | Confident | 105 Ų | 105 | 50.7 Ų | 50.7 | 56% | 0.561 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -118.2 | -4.9 | -169.4 | -66.6 | -37.3 | 0 | 0 | 0 | 114.4 | Q137 L155 | Q137-D157 HydrophobicContact CG-CB 4.31Å; L155-D157 VanDerWaalsContact C-N 3.32Å; L155-D157 PolarHBondContact O-N 3.46Å |
| 158 | T | 76.9 | Confident | 72.6 | Confident | 9 Ų | 9 | 53.4 Ų | 53.4 | 6% | 0.055 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -87.6 | 146.6 | 178.9 | 59.5 | 0 | 0 | 0 | 0 | 111.5 | F135 I154 L160 A161 | F135-T158 HydrophobicContact CD2-CG2 4.2Å; F135-T158 HydrophobicContact CE2-CG2 4.48Å; F135-T158 HydrophobicContact CG-CG2 4.24Å; I154-T158 HydrophobicContact CG2-CG2 4.08Å; I154-T158 WeakPolarHBondContact O-CB 3.46Å; I154-T158 WeakPolarHBondContact O-CG2 3.2Å; I154-T158 PolarHBondContact O-N 3.07Å; I154-T158 PolarHBondContact O-OG1 2.94Å; T158-L160 PolarHBondContact O-N 3.42Å; T158-A161 VanDerWaalsContact O-CB 3.28Å; T158-A161 WeakPolarHBondContact O-CB 3.38Å; T158-A161 PolarHBondContact O-N 3.39Å |
| 159 | P | 78.8 | Confident | 71.7 | Confident | 60 Ų | 60 | 56.3 Ų | 56.3 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -61.8 | -15.2 | 172.2 | 26.9 | -34.8 | 0 | 0 | 0 | 112.3 | Y102 M105 A161 | Y102-P159 HydrophobicContact CD1-CG 3.99Å; Y102-P159 HydrophobicContact CE1-CB 3.86Å; Y102-P159 HydrophobicContact CE1-CG 3.35Å; Y102-P159 HydrophobicContact CE2-CB 4.46Å; M105-P159 HydrophobicContact SD-CG 4.3Å; P159-A161 PolarHBondContact O-N 3.31Å |
| 160 | L | 79.7 | Confident | 70.8 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -65.8 | -20.5 | 173.7 | -56.1 | -177.3 | 0 | 0 | 0 | 112.7 | Y102 M105 I106 V109 T158 A162 F163 F164 | Y102-L160 HydrophobicContact CG-CD2 4.32Å; M105-L160 HydrophobicContact CB-CD1 3.89Å; M105-L160 HydrophobicContact CB-CG 4.43Å; I106-L160 HydrophobicContact CD1-CD2 4.33Å; I106-L160 HydrophobicContact CG1-CD1 3.95Å; I106-L160 HydrophobicContact CG1-CD2 3.86Å; V109-L160 HydrophobicContact CG2-CD1 4.24Å; T158-L160 PolarHBondContact O-N 3.42Å; L160-A162 PolarHBondContact O-N 3.47Å; L160-F163 HydrophobicContact CB-CD2 4.34Å; L160-F163 HydrophobicContact CD2-CD2 3.8Å; L160-F163 HydrophobicContact CD2-CE2 3.91Å; L160-F163 WeakPolarHBondContact O-CA 3.37Å; L160-F163 VanDerWaalsContact O-CB 3.27Å; L160-F163 WeakPolarHBondContact O-CB 3.5Å; L160-F163 PolarHBondContact O-N 2.82Å; L160-F164 HydrophobicContact CB-CD2 4.23Å; L160-F164 HydrophobicContact CB-CE2 3.83Å; L160-F164 WeakPolarHBondContact O-CD2 3.49Å |
| 161 | A | 77.1 | Confident | 69.7 | Low | 39 Ų | 39 | 64.9 Ų | 64.9 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -48.8 | -38.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L155 T158 P159 F163 F164 | L155-A161 WeakPolarHBondContact O-CB 3.36Å; T158-A161 VanDerWaalsContact O-CB 3.28Å; T158-A161 WeakPolarHBondContact O-CB 3.38Å; T158-A161 PolarHBondContact O-N 3.39Å; P159-A161 PolarHBondContact O-N 3.31Å; A161-F163 PolarHBondContact O-N 2.92Å; A161-F164 PolarHBondContact O-N 3.49Å |
| 162 | A | 77.7 | Confident | 69 | Low | 64 Ų | 64 | 70 Ų | 70 | 53% | 0.529 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -62.8 | -25.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | L160 | L160-A162 PolarHBondContact O-N 3.47Š|
| 163 | F | 77.7 | Confident | 68.4 | Low | 19 Ų | 19 | 68.9 Ų | 68.9 | 8% | 0.083 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -87.1 | -15.1 | -179.7 | -54.2 | -37.2 | 0 | 0 | 0 | 113.4 | Y102 L160 A161 L185 A188 | Y102-F163 HydrophobicContact CD2-CE2 4.04Å; Y102-F163 HydrophobicContact CD2-CZ 4.26Å; L160-F163 HydrophobicContact CB-CD2 4.34Å; L160-F163 HydrophobicContact CD2-CD2 3.8Å; L160-F163 HydrophobicContact CD2-CE2 3.91Å; L160-F163 WeakPolarHBondContact O-CA 3.37Å; L160-F163 VanDerWaalsContact O-CB 3.27Å; L160-F163 WeakPolarHBondContact O-CB 3.5Å; L160-F163 PolarHBondContact O-N 2.82Å; A161-F163 PolarHBondContact O-N 2.92Å; F163-L185 HydrophobicContact CB-CD2 4.01Å; F163-A188 HydrophobicContact CB-CB 3.66Å; F163-A188 HydrophobicContact CD1-CB 3.84Å; F163-A188 HydrophobicContact CG-CB 3.97Å |
| 164 | F | 71.2 | Confident | 68.1 | Low | 14 Ų | 14 | 70 Ų | 70 | 6% | 0.061 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -91.3 | -4 | -177.7 | -78 | -85.6 | 0 | 0 | 0 | 114.4 | Y151 L155 L160 A161 D166 C167 I181 L185 | Y151-F164 HydrophobicContact CD2-CE1 4.21Å; Y151-F164 AromaticContact CE2-CD1 3.66Å; Y151-F164 HydrophobicContact CE2-CD1 3.66Å; Y151-F164 AromaticContact CE2-CE1 3.33Å; Y151-F164 HydrophobicContact CE2-CE1 3.33Å; Y151-F164 HydrophobicContact CE2-CZ 4.23Å; Y151-F164 AromaticContact CZ-CD1 3.69Å; Y151-F164 AromaticContact CZ-CE1 3.88Å; Y151-F164 WeakPolarHBondContact OH-CD1 3.47Å; L155-F164 HydrophobicContact CD1-CB 4.33Å; L155-F164 HydrophobicContact CD1-CG 4.38Å; L155-F164 HydrophobicContact CD2-CB 3.75Å; L155-F164 HydrophobicContact CD2-CD1 3.65Å; L155-F164 HydrophobicContact CD2-CD2 2.93Å; L155-F164 HydrophobicContact CD2-CE1 3.82Å; L155-F164 HydrophobicContact CD2-CE2 3.13Å; L155-F164 HydrophobicContact CD2-CG 3.18Å; L155-F164 HydrophobicContact CD2-CZ 3.55Å; L155-F164 HydrophobicContact CG-CD2 4.39Å; L155-F164 HydrophobicContact CG-CG 4.4Å; L160-F164 HydrophobicContact CB-CD2 4.23Å; L160-F164 HydrophobicContact CB-CE2 3.83Å; L160-F164 WeakPolarHBondContact O-CD2 3.49Å; A161-F164 PolarHBondContact O-N 3.49Å; F164-D166 PolarHBondContact O-N 3.25Å; F164-D166 VanDerWaalsContact O-N 3.1Å; F164-C167 HydrophobicContact CD1-CB 3.97Å; F164-C167 WeakPolarHBondContact O-CB 3.28Å; F164-C167 PolarHBondContact O-N 2.93Å; F164-I181 HydrophobicContact CE1-CG2 3.93Å; F164-L185 HydrophobicContact CD1-CD2 3.68Å; F164-L185 HydrophobicContact CD1-CG 4.39Å; F164-L185 HydrophobicContact CD2-CD2 3.48Å; F164-L185 VanDerWaalsContact CD2-CD2 3.48Å; F164-L185 HydrophobicContact CE1-CD1 3.6Å; F164-L185 HydrophobicContact CE1-CD2 3.47Å; F164-L185 VanDerWaalsContact CE1-CD2 3.47Å; F164-L185 HydrophobicContact CE1-CG 3.85Å; F164-L185 HydrophobicContact CE2-CD1 4.05Å; F164-L185 HydrophobicContact CE2-CD2 3.29Å; F164-L185 HydrophobicContact CE2-CG 4.26Å; F164-L185 HydrophobicContact CG-CD2 3.72Å; F164-L185 HydrophobicContact CZ-CD1 3.32Å; F164-L185 HydrophobicContact CZ-CD2 3.32Å; F164-L185 HydrophobicContact CZ-CG 3.83Å |
| 165 | Q | 61.9 | Low | 68 | Low | 164 Ų | 164 | 75.4 Ų | 75.4 | 77% | 0.766 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -26.2 | -177.9 | -66.5 | -173.4 | -8.5 | 0 | 0 | 113.2 | ||
| 166 | D | 60.2 | Low | 68.1 | Low | 151 Ų | 151 | 77.7 Ų | 77.7 | 81% | 0.807 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 1.8 | 178.7 | -63.2 | -33.9 | 0 | 0 | 0 | 113.2 | F164 | F164-D166 PolarHBondContact O-N 3.25Å; F164-D166 VanDerWaalsContact O-N 3.1Å |
| 167 | C | 61.1 | Low | 68.5 | Low | 21 Ų | 21 | 73.8 Ų | 73.8 | 14% | 0.142 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -83.4 | 145.9 | -176 | -74.8 | 0 | 0 | 0 | 0 | 112.9 | F164 T184 | F164-C167 HydrophobicContact CD1-CB 3.97Å; F164-C167 WeakPolarHBondContact O-CB 3.28Å; F164-C167 PolarHBondContact O-N 2.93Å; C167-T184 WeakPolarHBondContact SG-CG2 3.36Å |
| 168 | I | 58.8 | Low | 69 | Low | 80 Ų | 80 | 68.9 Ų | 68.9 | 41% | 0.41 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -49.4 | 146.2 | -171.4 | -64.2 | 163.9 | 0 | 0 | 0 | 113.2 | I180 | I168-I180 HydrophobicContact CD1-CB 4.42Å; I168-I180 HydrophobicContact CD1-CG2 3.46Å; I168-I180 VanDerWaalsContact CD1-CG2 3.46Å |
| 169 | S | 57 | Low | 69.4 | Low | 91 Ų | 91 | 72.4 Ų | 72.4 | 64% | 0.636 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -49.3 | 138.5 | 171.9 | 49.5 | 0 | 0 | 0 | 0 | 112.1 | Q171 | S169-Q171 PolarHBondContact O-N 2.89Š|
| 170 | E | 57.6 | Low | 69.7 | Low | 116 Ų | 116 | 70.6 Ų | 70.6 | 54% | 0.542 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -4.3 | -176 | -62.1 | 179.6 | 146.1 | 0 | 0 | 117.1 | N152 | N152-E170 PolarHBondContact ND2-OE1 3Å; N152-E170 PolarHBondContact OD1-OE1 2.93Å |
| 171 | Q | 53.5 | Low | 69.9 | Low | 163 Ų | 163 | 71 Ų | 71 | 76% | 0.762 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -7 | -153 | -76 | -165.3 | -18.7 | 0 | 0 | 118.7 | S169 | S169-Q171 PolarHBondContact O-N 2.89Š|
| 172 | D | 59.3 | Low | 70.6 | Confident | 129 Ų | 129 | 72.3 Ų | 72.3 | 69% | 0.69 | 37% | 0.374 | S | S | * | . | trans | -155.2 | 82.6 | 167.7 | -79.6 | -51.7 | 0 | 0 | 0 | 110 | D174 N177 | D172-D174 VanDerWaalsContact C-N 3.29Å; D172-D174 PolarHBondContact O-N 3.32Å; D172-N177 PolarHBondContact O-ND2 3.09Å | ||
| 173 | L | 63.6 | Low | 71.2 | Confident | 37 Ų | 37 | 70.3 Ų | 70.3 | 19% | 0.194 | 35% | 0.354 | C | S | . | . | trans | -73.9 | 83 | 173.9 | -69.7 | 169.2 | 0 | 0 | 0 | 110.3 | L117 P147 A148 I181 | L117-L173 WeakPolarHBondContact CD1-O 3.46Å; P147-L173 HydrophobicContact CB-CB 4.31Å; P147-L173 HydrophobicContact CB-CD1 3.58Å; A148-L173 HydrophobicContact CB-CD1 4.33Å; L173-I181 HydrophobicContact CD2-CD1 3.51Å | ||
| 174 | D | 71.9 | Confident | 71.7 | Confident | 66 Ų | 66 | 70.5 Ų | 70.5 | 35% | 0.353 | 36% | 0.357 | S | S | . | . | trans | -95.9 | 172.1 | 167.2 | 67.9 | 20.8 | 0 | 0 | 0 | 111.5 | D172 M176 N177 I178 | D172-D174 VanDerWaalsContact C-N 3.29Å; D172-D174 PolarHBondContact O-N 3.32Å; D174-M176 PolarHBondContact O-N 3.37Å; D174-M176 WeakPolarHBondContact OD1-CB 3.45Å; D174-M176 PolarHBondContact OD1-N 3.02Å; D174-N177 PolarHBondContact O-N 2.88Å; D174-N177 VanDerWaalsContact OD1-CB 3.24Å; D174-N177 WeakPolarHBondContact OD1-CB 3.38Å; D174-N177 PolarHBondContact OD1-N 3.49Å; D174-N177 PolarHBondContact OD1-ND2 2.94Å; D174-N177 VanDerWaalsContact OD1-ND2 3.13Å; D174-I178 WeakPolarHBondContact O-CG1 3.27Å; D174-I178 PolarHBondContact O-N 3.3Å | ||
| 175 | E | 72 | Confident | 72.6 | Confident | 116 Ų | 116 | 69.8 Ų | 69.8 | 54% | 0.542 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.2 | -37 | -179.2 | -70.1 | -177.5 | -177 | 0 | 0 | 112.9 | L117 H118 I178 E179 | L117-E175 HydrophobicContact CD2-CG 3.91Å; H118-E175 IonicContact CE1-OE1 3.95Å; H118-E175 PolarHBondContact CE1-OE1 2.74Å; H118-E175 IonicContact NE2-OE1 2.74Å; H118-E175 PolarHBondContact NE2-OE1 3.32Å; H118-E175 VanDerWaalsContact NE2-OE1 3.08Å; E175-I178 PolarHBondContact O-N 2.93Å; E175-E179 PolarHBondContact O-N 2.87Å |
| 176 | M | 71.4 | Confident | 74.1 | Confident | 76 Ų | 76 | 63.1 Ų | 63.1 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65 | -44.7 | 178 | -177.9 | 177.9 | 66.1 | 0 | 0 | 110.3 | D174 I178 E179 I180 | D174-M176 PolarHBondContact O-N 3.37Å; D174-M176 WeakPolarHBondContact OD1-CB 3.45Å; D174-M176 PolarHBondContact OD1-N 3.02Å; M176-I178 VanDerWaalsContact C-N 3.28Å; M176-I178 PolarHBondContact O-N 3.31Å; M176-E179 PolarHBondContact O-N 3.01Å; M176-I180 HydrophobicContact CG-CD1 4.02Å; M176-I180 VanDerWaalsContact O-CG1 3.3Å; M176-I180 WeakPolarHBondContact O-CG1 3.47Å; M176-I180 PolarHBondContact O-N 2.72Å |
| 177 | N | 78.8 | Confident | 75.6 | Confident | 29 Ų | 29 | 57.2 Ų | 57.2 | 16% | 0.155 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.2 | -31.3 | 178.2 | -70.4 | -30.4 | 0 | 0 | 0 | 111.5 | D172 D174 I180 I181 | D172-N177 PolarHBondContact O-ND2 3.09Å; D174-N177 PolarHBondContact O-N 2.88Å; D174-N177 VanDerWaalsContact OD1-CB 3.24Å; D174-N177 WeakPolarHBondContact OD1-CB 3.38Å; D174-N177 PolarHBondContact OD1-N 3.49Å; D174-N177 PolarHBondContact OD1-ND2 2.94Å; D174-N177 VanDerWaalsContact OD1-ND2 3.13Å; N177-I180 PolarHBondContact O-N 3.33Å; N177-I181 WeakPolarHBondContact O-CB 3.28Å; N177-I181 WeakPolarHBondContact O-CD1 3.33Å; N177-I181 WeakPolarHBondContact O-CG1 3.28Å; N177-I181 PolarHBondContact O-N 2.74Å |
| 178 | I | 83.2 | Confident | 77.1 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 172.8 | -64.2 | 166.9 | 0 | 0 | 0 | 111.7 | I110 I113 T114 L117 D174 E175 M176 I180 I181 R182 | I110-I178 HydrophobicContact CD1-CG2 4.02Å; I110-I178 HydrophobicContact CG2-CG2 3.73Å; I113-I178 HydrophobicContact CG2-CD1 3.88Å; I113-I178 HydrophobicContact CG2-CG1 3.92Å; T114-I178 WeakPolarHBondContact OG1-CG2 3.19Å; L117-I178 HydrophobicContact CB-CD1 4.47Å; L117-I178 HydrophobicContact CD2-CD1 3.73Å; D174-I178 WeakPolarHBondContact O-CG1 3.27Å; D174-I178 PolarHBondContact O-N 3.3Å; E175-I178 PolarHBondContact O-N 2.93Å; M176-I178 VanDerWaalsContact C-N 3.28Å; M176-I178 PolarHBondContact O-N 3.31Å; I178-I180 VanDerWaalsContact C-N 3.31Å; I178-I180 PolarHBondContact O-N 3.1Å; I178-I181 PolarHBondContact O-N 2.73Å; I178-R182 WeakPolarHBondContact O-CB 3.13Å; I178-R182 PolarHBondContact O-N 2.64Å |
| 179 | E | 84.7 | Confident | 78.8 | Confident | 84 Ų | 84 | 53.8 Ų | 53.8 | 39% | 0.393 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.2 | -33.2 | 175.9 | -75.1 | -60.5 | 142.5 | 0 | 0 | 112.1 | E175 M176 R182 N183 | E175-E179 PolarHBondContact O-N 2.87Å; M176-E179 PolarHBondContact O-N 3.01Å; E179-R182 PolarHBondContact O-N 3.13Å; E179-R182 IonicContact OE1-CZ 3.53Å; E179-R182 IonicContact OE1-NH1 2.92Å; E179-R182 PolarHBondContact OE1-NH1 2.94Å; E179-R182 WeakPolarHBondContact OE2-CD 3.47Å; E179-R182 IonicContact OE2-NH1 2.88Å; E179-N183 WeakPolarHBondContact O-CB 3.32Å; E179-N183 PolarHBondContact O-N 3.29Å; E179-N183 PolarHBondContact O-ND2 3.1Å |
| 180 | I | 85.4 | Confident | 80.6 | Confident | 22 Ų | 22 | 49.5 Ų | 49.5 | 11% | 0.113 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.9 | -44.5 | 171.5 | -67.4 | 167.2 | 0 | 0 | 0 | 110.7 | I168 M176 N177 I178 N183 T184 L232 L240 | I168-I180 HydrophobicContact CD1-CB 4.42Å; I168-I180 HydrophobicContact CD1-CG2 3.46Å; I168-I180 VanDerWaalsContact CD1-CG2 3.46Å; M176-I180 HydrophobicContact CG-CD1 4.02Å; M176-I180 VanDerWaalsContact O-CG1 3.3Å; M176-I180 WeakPolarHBondContact O-CG1 3.47Å; M176-I180 PolarHBondContact O-N 2.72Å; N177-I180 PolarHBondContact O-N 3.33Å; I178-I180 VanDerWaalsContact C-N 3.31Å; I178-I180 PolarHBondContact O-N 3.1Å; I180-N183 PolarHBondContact O-N 3.22Å; I180-T184 WeakPolarHBondContact O-CB 3.16Å; I180-T184 PolarHBondContact O-N 3.31Å; I180-T184 PolarHBondContact O-OG1 3.46Å; I180-L232 HydrophobicContact CD1-CD1 4.05Å; I180-L232 HydrophobicContact CG1-CD1 4.42Å; I180-L240 HydrophobicContact CG2-CD2 3.83Å |
| 181 | I | 84.9 | Confident | 82.4 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.1 | -47.9 | 175.4 | -71 | 161.5 | 0 | 0 | 0 | 109.9 | I110 F164 L173 N177 I178 N183 T184 L185 | I110-I181 HydrophobicContact CD1-CG2 4.06Å; F164-I181 HydrophobicContact CE1-CG2 3.93Å; L173-I181 HydrophobicContact CD2-CD1 3.51Å; N177-I181 WeakPolarHBondContact O-CB 3.28Å; N177-I181 WeakPolarHBondContact O-CD1 3.33Å; N177-I181 WeakPolarHBondContact O-CG1 3.28Å; N177-I181 PolarHBondContact O-N 2.74Å; I178-I181 PolarHBondContact O-N 2.73Å; I181-N183 VanDerWaalsContact C-N 3.33Å; I181-N183 PolarHBondContact O-N 2.88Å; I181-T184 PolarHBondContact O-N 3.48Å; I181-L185 HydrophobicContact CG2-CD1 3.76Å; I181-L185 HydrophobicContact CG2-CG 4.26Å; I181-L185 WeakPolarHBondContact O-CB 3.4Å; I181-L185 VanDerWaalsContact O-CG 3.28Å; I181-L185 WeakPolarHBondContact O-CG 3.23Å; I181-L185 PolarHBondContact O-N 3.33Å |
| 182 | R | 90 | Very high | 84.3 | Confident | 66 Ų | 66 | 39.8 Ų | 39.8 | 25% | 0.249 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -52.6 | -52.1 | 175.7 | 177.9 | -179.1 | -110 | 166.1 | -4.6 | 110.8 | D107 I110 I178 E179 T184 L185 Y186 | D107-R182 IonicContact OD1-NE 3.55Å; D107-R182 IonicContact OD1-NH2 2.7Å; I110-R182 HydrophobicContact CD1-CB 3.74Å; I110-R182 HydrophobicContact CG1-CB 3.84Å; I110-R182 HydrophobicContact CG1-CG 4.15Å; I110-R182 HydrophobicContact CG2-CB 4.49Å; I178-R182 WeakPolarHBondContact O-CB 3.13Å; I178-R182 PolarHBondContact O-N 2.64Å; E179-R182 PolarHBondContact O-N 3.13Å; E179-R182 IonicContact OE1-CZ 3.53Å; E179-R182 IonicContact OE1-NH1 2.92Å; E179-R182 PolarHBondContact OE1-NH1 2.94Å; E179-R182 WeakPolarHBondContact OE2-CD 3.47Å; E179-R182 IonicContact OE2-NH1 2.88Å; R182-T184 VanDerWaalsContact C-N 3.35Å; R182-T184 PolarHBondContact O-N 3.38Å; R182-L185 PolarHBondContact O-N 2.63Å; R182-Y186 HydrophobicContact CG-CD2 3.82Å; R182-Y186 HydrophobicContact CG-CE2 4Å; R182-Y186 WeakPolarHBondContact O-CB 3.2Å; R182-Y186 VanDerWaalsContact O-CD2 3.31Å; R182-Y186 WeakPolarHBondContact O-CD2 3.25Å; R182-Y186 PolarHBondContact O-N 3.28Å |
| 183 | N | 90.9 | Very high | 86 | Confident | 22 Ų | 22 | 33.6 Ų | 33.6 | 12% | 0.118 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.5 | -36.4 | -177.8 | -73.2 | -49 | 0 | 0 | 0 | 113 | E179 I180 I181 K187 R219 I223 L240 | E179-N183 WeakPolarHBondContact O-CB 3.32Å; E179-N183 PolarHBondContact O-N 3.29Å; E179-N183 PolarHBondContact O-ND2 3.1Å; I180-N183 PolarHBondContact O-N 3.22Å; I181-N183 VanDerWaalsContact C-N 3.33Å; I181-N183 PolarHBondContact O-N 2.88Å; N183-K187 VanDerWaalsContact O-CB 3.32Å; N183-K187 WeakPolarHBondContact O-CB 3.21Å; N183-K187 PolarHBondContact O-N 3.3Å; N183-R219 PolarHBondContact OD1-NH1 3.3Å; N183-R219 PolarHBondContact OD1-NH2 3.46Å; N183-R219 VanDerWaalsContact OD1-NH2 3.09Å; N183-I223 HydrophobicContact CB-CD1 4.01Å; N183-I223 WeakPolarHBondContact OD1-CD1 3.4Å; N183-I223 WeakPolarHBondContact OD1-CG1 2.84Å; N183-L240 HydrophobicContact CB-CB 4.21Å; N183-L240 HydrophobicContact CB-CD1 4.4Å; N183-L240 HydrophobicContact CB-CD2 4Å; N183-L240 HydrophobicContact CB-CG 4.42Å |
| 184 | T | 88.4 | Confident | 87.5 | Confident | 23 Ų | 23 | 34.6 Ų | 34.6 | 14% | 0.141 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.4 | -43.4 | 175.7 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | C167 I180 I181 R182 K187 A188 L240 | C167-T184 WeakPolarHBondContact SG-CG2 3.36Å; I180-T184 WeakPolarHBondContact O-CB 3.16Å; I180-T184 PolarHBondContact O-N 3.31Å; I180-T184 PolarHBondContact O-OG1 3.46Å; I181-T184 PolarHBondContact O-N 3.48Å; R182-T184 VanDerWaalsContact C-N 3.35Å; R182-T184 PolarHBondContact O-N 3.38Å; T184-K187 WeakPolarHBondContact O-CB 3.43Å; T184-K187 PolarHBondContact O-N 3.25Å; T184-A188 PolarHBondContact O-N 2.5Å; T184-L240 WeakPolarHBondContact OG1-CD2 3.42Å |
| 185 | L | 90.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.1 | -46.8 | 176.6 | -70.9 | 169.8 | 0 | 0 | 0 | 112.5 | I106 I110 F163 F164 I181 R182 K187 A188 Y189 | I106-L185 HydrophobicContact CD1-CB 4.05Å; I106-L185 HydrophobicContact CG1-CB 4.14Å; I106-L185 HydrophobicContact CG2-CB 3.92Å; I106-L185 HydrophobicContact CG2-CD1 4.03Å; I110-L185 HydrophobicContact CD1-CD1 4.48Å; F163-L185 HydrophobicContact CB-CD2 4.01Å; F164-L185 HydrophobicContact CD1-CD2 3.68Å; F164-L185 HydrophobicContact CD1-CG 4.39Å; F164-L185 HydrophobicContact CD2-CD2 3.48Å; F164-L185 VanDerWaalsContact CD2-CD2 3.48Å; F164-L185 HydrophobicContact CE1-CD1 3.6Å; F164-L185 HydrophobicContact CE1-CD2 3.47Å; F164-L185 VanDerWaalsContact CE1-CD2 3.47Å; F164-L185 HydrophobicContact CE1-CG 3.85Å; F164-L185 HydrophobicContact CE2-CD1 4.05Å; F164-L185 HydrophobicContact CE2-CD2 3.29Å; F164-L185 HydrophobicContact CE2-CG 4.26Å; F164-L185 HydrophobicContact CG-CD2 3.72Å; F164-L185 HydrophobicContact CZ-CD1 3.32Å; F164-L185 HydrophobicContact CZ-CD2 3.32Å; F164-L185 HydrophobicContact CZ-CG 3.83Å; I181-L185 HydrophobicContact CG2-CD1 3.76Å; I181-L185 HydrophobicContact CG2-CG 4.26Å; I181-L185 WeakPolarHBondContact O-CB 3.4Å; I181-L185 VanDerWaalsContact O-CG 3.28Å; I181-L185 WeakPolarHBondContact O-CG 3.23Å; I181-L185 PolarHBondContact O-N 3.33Å; R182-L185 PolarHBondContact O-N 2.63Å; L185-K187 VanDerWaalsContact C-N 3.28Å; L185-K187 PolarHBondContact O-N 3.14Å; L185-A188 PolarHBondContact O-N 3.01Å; L185-Y189 VanDerWaalsContact O-CB 3.25Å; L185-Y189 WeakPolarHBondContact O-CB 3.46Å; L185-Y189 PolarHBondContact O-N 2.92Å |
| 186 | Y | 92.8 | Very high | 89.7 | Confident | 23 Ų | 23 | 34.2 Ų | 34.2 | 9% | 0.09 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63 | -36.7 | 177 | -92.9 | -76.4 | 0 | 0 | 0 | 112.1 | S103 I106 D107 R182 Y189 L190 R219 | S103-Y186 PolarHBondContact O-OH 3.41Å; I106-Y186 HydrophobicContact CB-CE2 4.23Å; I106-Y186 HydrophobicContact CG2-CD2 3.71Å; I106-Y186 HydrophobicContact CG2-CE2 3.52Å; D107-Y186 WeakPolarHBondContact OD1-CE2 3.49Å; D107-Y186 PolarHBondContact OD1-OH 3.47Å; D107-Y186 PolarHBondContact OD2-OH 3.16Å; R182-Y186 HydrophobicContact CG-CD2 3.82Å; R182-Y186 HydrophobicContact CG-CE2 4Å; R182-Y186 WeakPolarHBondContact O-CB 3.2Å; R182-Y186 VanDerWaalsContact O-CD2 3.31Å; R182-Y186 WeakPolarHBondContact O-CD2 3.25Å; R182-Y186 PolarHBondContact O-N 3.28Å; Y186-Y189 HydrophobicContact CD1-CD1 4.01Å; Y186-Y189 HydrophobicContact CE1-CD1 4.43Å; Y186-L190 VanDerWaalsContact O-CB 3.29Å; Y186-L190 WeakPolarHBondContact O-CB 3.45Å; Y186-L190 WeakPolarHBondContact O-CG 3.43Å; Y186-L190 PolarHBondContact O-N 3.11Å; Y186-R219 VanDerWaalsContact CG-CZ 3.42Å; Y186-R219 VanDerWaalsContact CG-NH2 3.33Å |
| 187 | K | 93 | Very high | 90.8 | Very high | 28 Ų | 28 | 30.6 Ų | 30.6 | 12% | 0.122 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.8 | -54.3 | 172.4 | 163 | 173.5 | -176.9 | 160.4 | 0 | 111.4 | N183 T184 L185 Y189 L190 E191 K239 F241 P242 H243 | N183-K187 VanDerWaalsContact O-CB 3.32Å; N183-K187 WeakPolarHBondContact O-CB 3.21Å; N183-K187 PolarHBondContact O-N 3.3Å; T184-K187 WeakPolarHBondContact O-CB 3.43Å; T184-K187 PolarHBondContact O-N 3.25Å; L185-K187 VanDerWaalsContact C-N 3.28Å; L185-K187 PolarHBondContact O-N 3.14Å; K187-Y189 VanDerWaalsContact C-N 3.33Å; K187-Y189 PolarHBondContact O-N 3.25Å; K187-L190 PolarHBondContact O-N 2.7Å; K187-E191 WeakPolarHBondContact CE-OE1 3.34Å; K187-E191 WeakPolarHBondContact O-CB 3.2Å; K187-E191 WeakPolarHBondContact O-CG 3.45Å; K187-E191 PolarHBondContact O-N 3.28Å; K187-K239 VanDerWaalsContact CD-O 3.27Å; K187-K239 WeakPolarHBondContact CD-O 3.42Å; K187-K239 PolarHBondContact NZ-O 3.33Å; K187-F241 VanDerWaalsContact CD-O 3.28Å; K187-F241 WeakPolarHBondContact CD-O 3.21Å; K187-F241 WeakPolarHBondContact CE-O 3.46Å; K187-F241 PolarHBondContact NZ-O 2.88Å; K187-P242 HydrophobicContact CB-CB 4.49Å; K187-P242 HydrophobicContact CB-CG 4.3Å; K187-P242 HydrophobicContact CG-CB 4.47Å; K187-H243 PolarHBondContact NZ-CE1 3.4Å |
| 188 | A | 92.1 | Very high | 91.5 | Very high | 23 Ų | 23 | 32.8 Ų | 32.8 | 19% | 0.19 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.7 | -40.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | F163 T184 L185 S192 | F163-A188 HydrophobicContact CB-CB 3.66Å; F163-A188 HydrophobicContact CD1-CB 3.84Å; F163-A188 HydrophobicContact CG-CB 3.97Å; T184-A188 PolarHBondContact O-N 2.5Å; L185-A188 PolarHBondContact O-N 3.01Å; A188-S192 WeakPolarHBondContact O-CB 3.36Å; A188-S192 PolarHBondContact O-N 3.36Å |
| 189 | Y | 94.3 | Very high | 92 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 2% | 0.024 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.3 | -53.1 | 173.6 | 160.6 | -113.2 | 0 | 0 | 0 | 112.1 | F99 Y102 I106 L185 Y186 K187 E191 S192 F193 | F99-Y189 HydrophobicContact CD1-CD2 4.5Å; F99-Y189 HydrophobicContact CD1-CE2 4.3Å; F99-Y189 WeakPolarHBondContact O-CE2 3.19Å; F99-Y189 PolarHBondContact O-OH 3.09Å; Y102-Y189 HydrophobicContact CD2-CD2 4.46Å; I106-Y189 HydrophobicContact CD1-CD1 4.49Å; I106-Y189 HydrophobicContact CD1-CG 4.16Å; L185-Y189 VanDerWaalsContact O-CB 3.25Å; L185-Y189 WeakPolarHBondContact O-CB 3.46Å; L185-Y189 PolarHBondContact O-N 2.92Å; Y186-Y189 HydrophobicContact CD1-CD1 4.01Å; Y186-Y189 HydrophobicContact CE1-CD1 4.43Å; K187-Y189 VanDerWaalsContact C-N 3.33Å; K187-Y189 PolarHBondContact O-N 3.25Å; Y189-E191 PolarHBondContact O-N 2.7Å; Y189-S192 PolarHBondContact O-N 2.95Å; Y189-F193 HydrophobicContact CE2-CB 4.15Å; Y189-F193 HydrophobicContact CE2-CD1 4.1Å; Y189-F193 HydrophobicContact CE2-CG 4.37Å; Y189-F193 AromaticContact CZ-CD1 3.91Å; Y189-F193 WeakPolarHBondContact O-CB 3.31Å; Y189-F193 PolarHBondContact O-N 3.26Å; Y189-F193 WeakPolarHBondContact OH-CD1 3.45Å |
| 190 | L | 94.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.1 | -40.7 | -177.7 | -73.6 | 172.7 | 0 | 0 | 0 | 111.7 | Y186 K187 Y194 L212 E215 A216 P242 | Y186-L190 VanDerWaalsContact O-CB 3.29Å; Y186-L190 WeakPolarHBondContact O-CB 3.45Å; Y186-L190 WeakPolarHBondContact O-CG 3.43Å; Y186-L190 PolarHBondContact O-N 3.11Å; K187-L190 PolarHBondContact O-N 2.7Å; L190-Y194 WeakPolarHBondContact O-CB 3.24Å; L190-Y194 PolarHBondContact O-N 3.15Å; L190-L212 HydrophobicContact CD2-CD2 4.26Å; L190-E215 HydrophobicContact CD1-CG 4.13Å; L190-E215 HydrophobicContact CD2-CB 4.18Å; L190-E215 HydrophobicContact CD2-CG 3.7Å; L190-A216 HydrophobicContact CD1-CB 4.41Å; L190-P242 HydrophobicContact CB-CB 4.4Å; L190-P242 HydrophobicContact CD1-CB 4.35Å; L190-P242 HydrophobicContact CD1-CG 3.91Å |
| 191 | E | 94.4 | Very high | 92.5 | Very high | 36 Ų | 36 | 38.6 Ų | 38.6 | 17% | 0.168 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67 | -39.9 | 176.4 | -72 | -176.2 | -170.4 | 0 | 0 | 112.2 | K187 Y189 K195 H243 | K187-E191 WeakPolarHBondContact CE-OE1 3.34Å; K187-E191 WeakPolarHBondContact O-CB 3.2Å; K187-E191 WeakPolarHBondContact O-CG 3.45Å; K187-E191 PolarHBondContact O-N 3.28Å; Y189-E191 PolarHBondContact O-N 2.7Å; E191-K195 WeakPolarHBondContact O-CB 3.47Å; E191-K195 WeakPolarHBondContact O-CD 3.32Å; E191-K195 WeakPolarHBondContact O-CG 3.37Å; E191-K195 PolarHBondContact O-N 2.88Å; E191-H243 IonicContact OE1-CE1 2.67Å; E191-H243 IonicContact OE1-CG 2.82Å; E191-H243 PolarHBondContact OE1-N 2.98Å; E191-H243 IonicContact OE1-ND1 3.63Å; E191-H243 PolarHBondContact OE1-ND1 3.4Å |
| 192 | S | 94.1 | Very high | 92.7 | Very high | 38 Ų | 38 | 40 Ų | 40 | 27% | 0.266 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.2 | -45.3 | 175.9 | -172.3 | 0 | 0 | 0 | 0 | 111.4 | A188 Y189 Y194 K195 F196 | A188-S192 WeakPolarHBondContact O-CB 3.36Å; A188-S192 PolarHBondContact O-N 3.36Å; Y189-S192 PolarHBondContact O-N 2.95Å; S192-Y194 PolarHBondContact O-N 3.24Å; S192-K195 PolarHBondContact O-N 3.41Å; S192-F196 WeakPolarHBondContact O-CB 3.5Å; S192-F196 PolarHBondContact O-N 2.91Å |
| 193 | F | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.3 | -37 | -179.9 | -169.4 | -160.1 | 0 | 0 | 0 | 112 | F96 F99 I100 Y189 F196 C197 M208 L212 Y316 | F96-F193 AromaticContact CD2-CE2 3.73Å; F96-F193 HydrophobicContact CD2-CE2 3.73Å; F96-F193 HydrophobicContact CD2-CZ 4.12Å; F96-F193 AromaticContact CE2-CE2 3.67Å; F96-F193 HydrophobicContact CE2-CE2 3.67Å; F96-F193 AromaticContact CE2-CZ 3.69Å; F96-F193 HydrophobicContact CE2-CZ 3.69Å; F96-F193 HydrophobicContact CZ-CE2 4.42Å; F96-F193 HydrophobicContact CZ-CZ 4.01Å; F99-F193 HydrophobicContact CB-CD1 4.43Å; F99-F193 HydrophobicContact CB-CD2 3.56Å; F99-F193 HydrophobicContact CB-CE1 4.46Å; F99-F193 HydrophobicContact CB-CE2 3.61Å; F99-F193 HydrophobicContact CB-CG 4.01Å; F99-F193 HydrophobicContact CB-CZ 4.07Å; F99-F193 HydrophobicContact CD1-CB 3.87Å; F99-F193 AromaticContact CD1-CD2 3.97Å; F99-F193 HydrophobicContact CD1-CD2 3.97Å; F99-F193 HydrophobicContact CD1-CG 4.08Å; F99-F193 HydrophobicContact CD2-CD2 4.18Å; F99-F193 HydrophobicContact CE1-CB 4.35Å; F99-F193 HydrophobicContact CG-CB 4.44Å; F99-F193 AromaticContact CG-CD2 3.65Å; F99-F193 HydrophobicContact CG-CD2 3.65Å; F99-F193 HydrophobicContact CG-CE2 4.12Å; F99-F193 HydrophobicContact CG-CG 4.17Å; I100-F193 HydrophobicContact CG1-CZ 4.44Å; Y189-F193 HydrophobicContact CE2-CB 4.15Å; Y189-F193 HydrophobicContact CE2-CD1 4.1Å; Y189-F193 HydrophobicContact CE2-CG 4.37Å; Y189-F193 AromaticContact CZ-CD1 3.91Å; Y189-F193 WeakPolarHBondContact O-CB 3.31Å; Y189-F193 PolarHBondContact O-N 3.26Å; Y189-F193 WeakPolarHBondContact OH-CD1 3.45Å; F193-F196 HydrophobicContact CD2-CD1 4.21Å; F193-F196 HydrophobicContact CE2-CD1 4.29Å; F193-F196 PolarHBondContact O-N 3.41Å; F193-C197 VanDerWaalsContact CE2-SG 3.59Å; F193-C197 PolarHBondContact O-N 3.22Å; F193-C197 PolarHBondContact O-SG 3.42Å; F193-M208 HydrophobicContact CE1-CE 3.79Å; F193-M208 HydrophobicContact CZ-CE 3.62Å; F193-L212 HydrophobicContact CB-CD1 4.31Å; F193-L212 HydrophobicContact CD1-CD1 3.82Å; F193-L212 HydrophobicContact CD1-CD2 3.49Å; F193-L212 VanDerWaalsContact CD1-CD2 3.49Å; F193-L212 HydrophobicContact CD1-CG 4.31Å; F193-L212 HydrophobicContact CD2-CD1 4.44Å; F193-L212 HydrophobicContact CE1-CD1 4.26Å; F193-L212 HydrophobicContact CE1-CD2 3.79Å; F193-L212 HydrophobicContact CG-CD1 3.92Å; F193-L212 HydrophobicContact CG-CD2 4.36Å; F193-Y316 AromaticContact CE1-CD2 3.93Å; F193-Y316 HydrophobicContact CE1-CD2 3.93Å; F193-Y316 AromaticContact CE1-CE2 4Å; F193-Y316 HydrophobicContact CE1-CE2 4Å; F193-Y316 HydrophobicContact CZ-CD2 4.29Å |
| 194 | Y | 95.6 | Very high | 92.8 | Very high | 57 Ų | 57 | 37.7 Ų | 37.7 | 22% | 0.224 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.9 | -50.7 | 171.8 | -172 | -90.6 | 0 | 0 | 0 | 110.9 | L190 S192 F196 C197 T198 C209 L212 E213 C244 | L190-Y194 WeakPolarHBondContact O-CB 3.24Å; L190-Y194 PolarHBondContact O-N 3.15Å; S192-Y194 PolarHBondContact O-N 3.24Å; Y194-F196 VanDerWaalsContact C-N 3.29Å; Y194-F196 PolarHBondContact O-N 3.18Å; Y194-C197 PolarHBondContact O-N 2.98Å; Y194-C197 VanDerWaalsContact O-N 3.14Å; Y194-T198 PolarHBondContact O-N 3.29Å; Y194-T198 PolarHBondContact O-OG1 3.02Å; Y194-C209 HydrophobicContact CD2-CB 4.27Å; Y194-C209 HydrophobicContact CE2-CB 3.56Å; Y194-L212 HydrophobicContact CD2-CB 4.1Å; Y194-E213 HydrophobicContact CE2-CG 3.81Å; Y194-E213 WeakPolarHBondContact CE2-OE1 3.32Å; Y194-E213 PolarHBondContact OH-OE1 3.44Å; Y194-C244 HydrophobicContact CD1-CB 3.87Å; Y194-C244 HydrophobicContact CD2-CB 3.78Å; Y194-C244 HydrophobicContact CE1-CB 4.41Å; Y194-C244 HydrophobicContact CE2-CB 4.34Å; Y194-C244 HydrophobicContact CG-CB 3.51Å |
| 195 | K | 95.1 | Very high | 93 | Very high | 138 Ų | 138 | 37.2 Ų | 37.2 | 60% | 0.6 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -57.3 | -41.4 | 176.4 | -73.8 | 167.7 | -171.6 | 167.3 | 0 | 112 | E191 S192 T198 L199 | E191-K195 WeakPolarHBondContact O-CB 3.47Å; E191-K195 WeakPolarHBondContact O-CD 3.32Å; E191-K195 WeakPolarHBondContact O-CG 3.37Å; E191-K195 PolarHBondContact O-N 2.88Å; S192-K195 PolarHBondContact O-N 3.41Å; K195-T198 PolarHBondContact O-N 3.45Å; K195-L199 WeakPolarHBondContact O-CB 3.49Å; K195-L199 PolarHBondContact O-N 3.35Å |
| 196 | F | 94.6 | Very high | 93.1 | Very high | 37 Ų | 37 | 42.8 Ų | 42.8 | 16% | 0.162 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.5 | -48.8 | 175.3 | 178.3 | -100.9 | 0 | 0 | 0 | 111.5 | F96 F99 S192 F193 Y194 T198 L199 L200 | F96-F196 HydrophobicContact CB-CE1 3.84Å; F96-F196 HydrophobicContact CB-CZ 4.42Å; F96-F196 HydrophobicContact CD2-CD1 4.45Å; F96-F196 AromaticContact CD2-CE1 3.99Å; F96-F196 HydrophobicContact CD2-CE1 3.99Å; F96-F196 HydrophobicContact CG-CE1 4.42Å; F99-F196 HydrophobicContact CD2-CB 4.47Å; F99-F196 AromaticContact CD2-CD1 3.85Å; F99-F196 HydrophobicContact CD2-CD1 3.85Å; F99-F196 HydrophobicContact CD2-CD2 4.41Å; F99-F196 HydrophobicContact CD2-CE1 4.14Å; F99-F196 AromaticContact CD2-CG 3.99Å; F99-F196 HydrophobicContact CD2-CG 3.99Å; F99-F196 HydrophobicContact CE2-CB 3.89Å; F99-F196 AromaticContact CE2-CD1 3.92Å; F99-F196 HydrophobicContact CE2-CD1 3.92Å; F99-F196 AromaticContact CE2-CD2 3.71Å; F99-F196 HydrophobicContact CE2-CD2 3.71Å; F99-F196 HydrophobicContact CE2-CE1 4.38Å; F99-F196 HydrophobicContact CE2-CE2 4.2Å; F99-F196 AromaticContact CE2-CG 3.56Å; F99-F196 HydrophobicContact CE2-CG 3.56Å; F99-F196 HydrophobicContact CZ-CB 4.07Å; F99-F196 HydrophobicContact CZ-CD2 4.48Å; F99-F196 HydrophobicContact CZ-CG 4.24Å; S192-F196 WeakPolarHBondContact O-CB 3.5Å; S192-F196 PolarHBondContact O-N 2.91Å; F193-F196 HydrophobicContact CD2-CD1 4.21Å; F193-F196 HydrophobicContact CE2-CD1 4.29Å; F193-F196 PolarHBondContact O-N 3.41Å; Y194-F196 VanDerWaalsContact C-N 3.29Å; Y194-F196 PolarHBondContact O-N 3.18Å; F196-T198 PolarHBondContact O-N 3.4Å; F196-L199 PolarHBondContact O-N 3.23Å; F196-L200 HydrophobicContact CD1-CD1 4.01Å; F196-L200 HydrophobicContact CE1-CD1 3.48Å; F196-L200 VanDerWaalsContact CE1-CD1 3.48Å; F196-L200 HydrophobicContact CE1-CG 4.18Å; F196-L200 HydrophobicContact CZ-CD1 3.87Å; F196-L200 HydrophobicContact CZ-CD2 4.29Å; F196-L200 HydrophobicContact CZ-CG 4.24Å; F196-L200 WeakPolarHBondContact O-CG 3.25Å; F196-L200 PolarHBondContact O-N 3.15Å |
| 197 | C | 94 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.8 | -42 | 177 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | F193 Y194 L199 L200 G201 A205 M208 L212 | F193-C197 VanDerWaalsContact CE2-SG 3.59Å; F193-C197 PolarHBondContact O-N 3.22Å; F193-C197 PolarHBondContact O-SG 3.42Å; Y194-C197 PolarHBondContact O-N 2.98Å; Y194-C197 VanDerWaalsContact O-N 3.14Å; C197-L199 VanDerWaalsContact C-N 3.33Å; C197-L199 PolarHBondContact O-N 2.99Å; C197-L200 PolarHBondContact O-N 3.16Å; C197-G201 PolarHBondContact O-N 3.5Å; C197-G201 VanDerWaalsContact O-N 3.13Å; C197-A205 WeakPolarHBondContact O-CB 3.36Å; C197-M208 HydrophobicContact CB-CB 4.2Å; C197-L212 HydrophobicContact CB-CD1 4.45Å |
| 198 | T | 93.7 | Very high | 93.2 | Very high | 74 Ų | 74 | 40.9 Ų | 40.9 | 45% | 0.454 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 175.5 | -51.6 | 0 | 0 | 0 | 0 | 111.7 | Y194 K195 F196 G201 | Y194-T198 PolarHBondContact O-N 3.29Å; Y194-T198 PolarHBondContact O-OG1 3.02Å; K195-T198 PolarHBondContact O-N 3.45Å; F196-T198 PolarHBondContact O-N 3.4Å; T198-G201 PolarHBondContact O-N 2.85Å |
| 199 | L | 93.2 | Very high | 93.4 | Very high | 151 Ų | 151 | 40.3 Ų | 40.3 | 79% | 0.791 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -67 | -38 | 178.2 | -177.8 | 66.5 | 0 | 0 | 0 | 112.3 | K195 F196 C197 G201 | K195-L199 WeakPolarHBondContact O-CB 3.49Å; K195-L199 PolarHBondContact O-N 3.35Å; F196-L199 PolarHBondContact O-N 3.23Å; C197-L199 VanDerWaalsContact C-N 3.33Å; C197-L199 PolarHBondContact O-N 2.99Å; L199-G201 VanDerWaalsContact C-N 3.28Å |
| 200 | L | 90.9 | Very high | 93.4 | Very high | 56 Ų | 56 | 41.8 Ų | 41.8 | 29% | 0.293 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.9 | -39.7 | 172.8 | -68.7 | 178.6 | 0 | 0 | 0 | 111.6 | P92 F96 F196 C197 T204 F312 | P92-L200 HydrophobicContact CB-CD2 3.65Å; P92-L200 HydrophobicContact CG-CD2 3.82Å; F96-L200 HydrophobicContact CD2-CD1 4.5Å; F196-L200 HydrophobicContact CD1-CD1 4.01Å; F196-L200 HydrophobicContact CE1-CD1 3.48Å; F196-L200 VanDerWaalsContact CE1-CD1 3.48Å; F196-L200 HydrophobicContact CE1-CG 4.18Å; F196-L200 HydrophobicContact CZ-CD1 3.87Å; F196-L200 HydrophobicContact CZ-CD2 4.29Å; F196-L200 HydrophobicContact CZ-CG 4.24Å; F196-L200 WeakPolarHBondContact O-CG 3.25Å; F196-L200 PolarHBondContact O-N 3.15Å; C197-L200 PolarHBondContact O-N 3.16Å; L200-T204 HydrophobicContact CD1-CG2 4.11Å; L200-F312 HydrophobicContact CD1-CD2 3.82Å; L200-F312 HydrophobicContact CD1-CE2 4.05Å |
| 201 | G | 89.8 | Confident | 93.4 | Very high | 23 Ų | 23 | 42.1 Ų | 42.1 | 24% | 0.237 | 24% | 0.238 | C | C | . | . | trans | 66.5 | -166.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | C197 T198 L199 A205 | C197-G201 PolarHBondContact O-N 3.5Å; C197-G201 VanDerWaalsContact O-N 3.13Å; T198-G201 PolarHBondContact O-N 2.85Å; L199-G201 VanDerWaalsContact C-N 3.28Å; G201-A205 PolarHBondContact O-N 3.24Å | ||
| 202 | G | 88.8 | Confident | 93.5 | Very high | 37 Ų | 37 | 40.4 Ų | 40.4 | 38% | 0.381 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | 58.8 | -154.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T204 A205 D206 | G202-T204 PolarHBondContact O-N 3.41Å; G202-T204 VanDerWaalsContact O-N 3.08Å; G202-A205 PolarHBondContact O-N 2.88Å; G202-D206 PolarHBondContact O-N 3.12Å; G202-D206 VanDerWaalsContact O-N 3.12Å |
| 203 | T | 91.4 | Very high | 93.6 | Very high | 29 Ų | 29 | 39.9 Ų | 39.9 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.8 | -26.3 | -179.3 | -49.5 | 0 | 0 | 0 | 0 | 113.2 | A207 N308 H311 | T203-A207 WeakPolarHBondContact O-CB 3.36Å; T203-A207 PolarHBondContact O-N 3.48Å; T203-N308 HydrophobicContact CG2-CB 3.67Å; T203-H311 HydrophobicContact CG2-CB 3.81Å |
| 204 | T | 92.2 | Very high | 93.6 | Very high | 11 Ų | 11 | 40.1 Ų | 40.1 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65 | -47.4 | 174.1 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | F96 L200 G202 A207 M208 H311 F312 | F96-T204 HydrophobicContact CE2-CG2 4.49Å; L200-T204 HydrophobicContact CD1-CG2 4.11Å; G202-T204 PolarHBondContact O-N 3.41Å; G202-T204 VanDerWaalsContact O-N 3.08Å; T204-A207 PolarHBondContact O-N 3.47Å; T204-M208 HydrophobicContact CG2-CG 4.45Å; T204-M208 VanDerWaalsContact O-CB 3.25Å; T204-M208 WeakPolarHBondContact O-CB 3.44Å; T204-M208 PolarHBondContact O-N 2.93Å; T204-H311 WeakPolarHBondContact OG1-CA 3.45Å; T204-H311 WeakPolarHBondContact OG1-CB 3.49Å; T204-F312 HydrophobicContact CG2-CB 3.98Å; T204-F312 HydrophobicContact CG2-CD2 4.06Å; T204-F312 HydrophobicContact CG2-CG 4.38Å; T204-F312 PolarHBondContact OG1-N 3.37Å |
| 205 | A | 92.8 | Very high | 93.6 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 11% | 0.107 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.7 | -44.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | C197 G201 G202 A207 M208 C209 | C197-A205 WeakPolarHBondContact O-CB 3.36Å; G201-A205 PolarHBondContact O-N 3.24Å; G202-A205 PolarHBondContact O-N 2.88Å; A205-A207 VanDerWaalsContact C-N 3.27Å; A205-A207 PolarHBondContact O-N 3.26Å; A205-M208 PolarHBondContact O-N 3.44Å; A205-C209 WeakPolarHBondContact O-CB 3.04Å; A205-C209 PolarHBondContact O-N 2.92Å; A205-C209 PolarHBondContact O-SG 2.94Å |
| 206 | D | 93.1 | Very high | 93.6 | Very high | 117 Ų | 117 | 31.8 Ų | 31.8 | 63% | 0.626 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -62.5 | -33.1 | -178.8 | -64.5 | -24 | 0 | 0 | 0 | 112.8 | G202 P210 | G202-D206 PolarHBondContact O-N 3.12Å; G202-D206 VanDerWaalsContact O-N 3.12Å; D206-P210 VanDerWaalsContact O-CD 3.22Å; D206-P210 WeakPolarHBondContact O-CD 3.34Å; D206-P210 VanDerWaalsContact O-CG 3.3Å; D206-P210 WeakPolarHBondContact O-CG 3.38Å |
| 207 | A | 93.4 | Very high | 93.7 | Very high | 12 Ų | 12 | 30 Ų | 30 | 10% | 0.099 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -84.1 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T203 T204 A205 I211 | T203-A207 WeakPolarHBondContact O-CB 3.36Å; T203-A207 PolarHBondContact O-N 3.48Å; T204-A207 PolarHBondContact O-N 3.47Å; A205-A207 VanDerWaalsContact C-N 3.27Å; A205-A207 PolarHBondContact O-N 3.26Å; A207-I211 VanDerWaalsContact O-CD1 3.3Å; A207-I211 WeakPolarHBondContact O-CD1 3.29Å; A207-I211 WeakPolarHBondContact O-CG1 3.12Å |
| 208 | M | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -85.5 | -37.3 | -172.1 | -77 | -61.1 | -68.8 | 0 | 0 | 114.3 | F96 F193 C197 T204 A205 I211 L212 G313 Y316 | F96-M208 HydrophobicContact CE2-CE 3.96Å; F96-M208 HydrophobicContact CE2-CG 3.91Å; F96-M208 HydrophobicContact CE2-SD 4.36Å; F96-M208 HydrophobicContact CZ-CE 3.68Å; F96-M208 HydrophobicContact CZ-CG 3.91Å; F96-M208 HydrophobicContact CZ-SD 3.87Å; F193-M208 HydrophobicContact CE1-CE 3.79Å; F193-M208 HydrophobicContact CZ-CE 3.62Å; C197-M208 HydrophobicContact CB-CB 4.2Å; T204-M208 HydrophobicContact CG2-CG 4.45Å; T204-M208 VanDerWaalsContact O-CB 3.25Å; T204-M208 WeakPolarHBondContact O-CB 3.44Å; T204-M208 PolarHBondContact O-N 2.93Å; A205-M208 PolarHBondContact O-N 3.44Å; M208-I211 PolarHBondContact O-N 3.41Å; M208-I211 VanDerWaalsContact O-N 3.1Å; M208-I211 HydrophobicContact SD-CD1 4.26Å; M208-L212 HydrophobicContact CE-CD1 4.46Å; M208-L212 HydrophobicContact CE-CD2 4.38Å; M208-L212 HydrophobicContact CE-CG 4.31Å; M208-L212 WeakPolarHBondContact O-CG 3.32Å; M208-L212 PolarHBondContact O-N 3.35Å; M208-G313 VanDerWaalsContact SD-CA 3.56Å; M208-Y316 HydrophobicContact CE-CD1 3.92Å; M208-Y316 HydrophobicContact CE-CD2 3.48Å; M208-Y316 VanDerWaalsContact CE-CD2 3.48Å; M208-Y316 HydrophobicContact CE-CE2 4.15Å; M208-Y316 HydrophobicContact CE-CG 3.35Å; M208-Y316 VanDerWaalsContact SD-CB 3.53Å; M208-Y316 HydrophobicContact SD-CD1 4.06Å; M208-Y316 HydrophobicContact SD-CG 3.79Å |
| 209 | C | 95.1 | Very high | 93.7 | Very high | 11 Ų | 11 | 29.4 Ų | 29.4 | 7% | 0.074 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.4 | -44.6 | -177.6 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | Y194 A205 I211 L212 E213 | Y194-C209 HydrophobicContact CD2-CB 4.27Å; Y194-C209 HydrophobicContact CE2-CB 3.56Å; A205-C209 WeakPolarHBondContact O-CB 3.04Å; A205-C209 PolarHBondContact O-N 2.92Å; A205-C209 PolarHBondContact O-SG 2.94Å; C209-I211 VanDerWaalsContact C-N 3.29Å; C209-I211 PolarHBondContact O-N 3.29Å; C209-L212 PolarHBondContact O-N 2.89Å; C209-E213 VanDerWaalsContact O-CB 3.29Å; C209-E213 WeakPolarHBondContact O-CB 3.46Å; C209-E213 VanDerWaalsContact O-CG 3.31Å; C209-E213 WeakPolarHBondContact O-CG 3.37Å; C209-E213 PolarHBondContact O-N 3.23Å |
| 210 | P | 94.6 | Very high | 93.8 | Very high | 37 Ų | 37 | 22.2 Ų | 22.2 | 24% | 0.24 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.9 | -33.6 | 174.9 | -25.2 | 36.4 | 0 | 0 | 0 | 114.1 | D206 F214 | D206-P210 VanDerWaalsContact O-CD 3.22Å; D206-P210 WeakPolarHBondContact O-CD 3.34Å; D206-P210 VanDerWaalsContact O-CG 3.3Å; D206-P210 WeakPolarHBondContact O-CG 3.38Å; P210-F214 WeakPolarHBondContact O-CB 3.29Å; P210-F214 PolarHBondContact O-N 2.96Å; P210-F214 VanDerWaalsContact O-N 3.09Å |
| 211 | I | 95.4 | Very high | 94 | Very high | 7 Ų | 7 | 19.6 Ų | 19.6 | 4% | 0.036 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.6 | -44.8 | 177.5 | -64.4 | 169.5 | 0 | 0 | 0 | 110.3 | A207 M208 C209 F214 E215 L301 A305 Y316 | A207-I211 VanDerWaalsContact O-CD1 3.3Å; A207-I211 WeakPolarHBondContact O-CD1 3.29Å; A207-I211 WeakPolarHBondContact O-CG1 3.12Å; M208-I211 PolarHBondContact O-N 3.41Å; M208-I211 VanDerWaalsContact O-N 3.1Å; M208-I211 HydrophobicContact SD-CD1 4.26Å; C209-I211 VanDerWaalsContact C-N 3.29Å; C209-I211 PolarHBondContact O-N 3.29Å; I211-F214 PolarHBondContact O-N 3.44Å; I211-E215 PolarHBondContact O-N 3.36Å; I211-L301 HydrophobicContact CG1-CB 4.08Å; I211-A305 HydrophobicContact CD1-CB 4.31Å; I211-Y316 HydrophobicContact CG2-CD1 3.98Å; I211-Y316 HydrophobicContact CG2-CE1 3.38Å |
| 212 | L | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.8 | -35 | 178.5 | -64.8 | 177.7 | 0 | 0 | 0 | 112.4 | L190 F193 Y194 C197 M208 C209 E215 A216 | L190-L212 HydrophobicContact CD2-CD2 4.26Å; F193-L212 HydrophobicContact CB-CD1 4.31Å; F193-L212 HydrophobicContact CD1-CD1 3.82Å; F193-L212 HydrophobicContact CD1-CD2 3.49Å; F193-L212 VanDerWaalsContact CD1-CD2 3.49Å; F193-L212 HydrophobicContact CD1-CG 4.31Å; F193-L212 HydrophobicContact CD2-CD1 4.44Å; F193-L212 HydrophobicContact CE1-CD1 4.26Å; F193-L212 HydrophobicContact CE1-CD2 3.79Å; F193-L212 HydrophobicContact CG-CD1 3.92Å; F193-L212 HydrophobicContact CG-CD2 4.36Å; Y194-L212 HydrophobicContact CD2-CB 4.1Å; C197-L212 HydrophobicContact CB-CD1 4.45Å; M208-L212 HydrophobicContact CE-CD1 4.46Å; M208-L212 HydrophobicContact CE-CD2 4.38Å; M208-L212 HydrophobicContact CE-CG 4.31Å; M208-L212 WeakPolarHBondContact O-CG 3.32Å; M208-L212 PolarHBondContact O-N 3.35Å; C209-L212 PolarHBondContact O-N 2.89Å; L212-E215 PolarHBondContact O-N 2.77Å; L212-A216 WeakPolarHBondContact O-CB 3.09Å; L212-A216 PolarHBondContact O-N 3.2Å |
| 213 | E | 96.1 | Very high | 94.3 | Very high | 28 Ų | 28 | 20.1 Ų | 20.1 | 13% | 0.131 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.8 | -49.3 | 170.9 | -86.4 | 159.9 | -151.4 | 0 | 0 | 111 | Y194 C209 E215 A216 D217 C244 R246 | Y194-E213 HydrophobicContact CE2-CG 3.81Å; Y194-E213 WeakPolarHBondContact CE2-OE1 3.32Å; Y194-E213 PolarHBondContact OH-OE1 3.44Å; C209-E213 VanDerWaalsContact O-CB 3.29Å; C209-E213 WeakPolarHBondContact O-CB 3.46Å; C209-E213 VanDerWaalsContact O-CG 3.31Å; C209-E213 WeakPolarHBondContact O-CG 3.37Å; C209-E213 PolarHBondContact O-N 3.23Å; E213-E215 VanDerWaalsContact C-N 3.33Å; E213-E215 PolarHBondContact O-N 3.11Å; E213-A216 PolarHBondContact O-N 2.86Å; E213-D217 WeakPolarHBondContact O-CB 3.33Å; E213-D217 PolarHBondContact O-N 3.32Å; E213-C244 WeakPolarHBondContact CG-O 3.5Å; E213-R246 HydrophobicContact CB-CG 4.38Å; E213-R246 HydrophobicContact CG-CG 4.43Å; E213-R246 IonicContact OE2-NE 3.86Å; E213-R246 PolarHBondContact OE2-NE 3.01Å; E213-R246 IonicContact OE2-NH2 2.75Å |
| 214 | F | 95.6 | Very high | 94.3 | Very high | 5 Ų | 5 | 18.7 Ų | 18.7 | 2% | 0.022 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.2 | -42.2 | 176.7 | 176 | -99.2 | 0 | 0 | 0 | 111.7 | P210 I211 A216 D217 R218 Y274 L277 F294 H297 E298 L301 | P210-F214 WeakPolarHBondContact O-CB 3.29Å; P210-F214 PolarHBondContact O-N 2.96Å; P210-F214 VanDerWaalsContact O-N 3.09Å; I211-F214 PolarHBondContact O-N 3.44Å; F214-A216 PolarHBondContact O-N 3.07Å; F214-D217 PolarHBondContact O-N 3.3Å; F214-R218 WeakPolarHBondContact O-CB 3.46Å; F214-R218 PolarHBondContact O-N 2.98Å; F214-Y274 AromaticContact CD2-CE1 3.88Å; F214-Y274 HydrophobicContact CD2-CE1 3.88Å; F214-Y274 HydrophobicContact CE2-CE1 4.1Å; F214-L277 HydrophobicContact CE2-CD1 3.98Å; F214-F294 HydrophobicContact CE2-CD1 4.07Å; F214-F294 HydrophobicContact CZ-CB 4.24Å; F214-F294 AromaticContact CZ-CD1 3.78Å; F214-F294 HydrophobicContact CZ-CD1 3.78Å; F214-F294 HydrophobicContact CZ-CG 4.44Å; F214-H297 AromaticContact CD2-CD2 3.46Å; F214-H297 VanDerWaalsContact CD2-CD2 3.46Å; F214-H297 WeakPolarHBondContact CD2-CD2 3.5Å; F214-H297 HydrophobicContact CE2-CB 4.05Å; F214-H297 AromaticContact CE2-CD2 3.25Å; F214-H297 WeakPolarHBondContact CE2-CD2 3.29Å; F214-H297 AromaticContact CE2-CG 3.82Å; F214-H297 HydrophobicContact CZ-CB 3.82Å; F214-H297 AromaticContact CZ-CD2 3.69Å; F214-E298 HydrophobicContact CE1-CB 3.99Å; F214-L301 HydrophobicContact CB-CD1 3.63Å; F214-L301 HydrophobicContact CD1-CD1 4.01Å; F214-L301 HydrophobicContact CD2-CD1 4.24Å; F214-L301 HydrophobicContact CG-CD1 3.68Å |
| 215 | E | 94.9 | Very high | 94.3 | Very high | 20 Ų | 20 | 20.2 Ų | 20.2 | 9% | 0.093 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.3 | -42.9 | 177.2 | -173.7 | 58.4 | -151.4 | 0 | 0 | 112 | L190 I211 L212 E213 R218 R219 | L190-E215 HydrophobicContact CD1-CG 4.13Å; L190-E215 HydrophobicContact CD2-CB 4.18Å; L190-E215 HydrophobicContact CD2-CG 3.7Å; I211-E215 PolarHBondContact O-N 3.36Å; L212-E215 PolarHBondContact O-N 2.77Å; E213-E215 VanDerWaalsContact C-N 3.33Å; E213-E215 PolarHBondContact O-N 3.11Å; E215-R218 IonicContact OE1-CZ 3.09Å; E215-R218 IonicContact OE1-NE 3.99Å; E215-R218 IonicContact OE1-NH2 3.99Å; E215-R218 PolarHBondContact OE1-NH2 3.17Å; E215-R218 IonicContact OE2-CZ 3.46Å; E215-R218 IonicContact OE2-NE 3.65Å; E215-R218 PolarHBondContact OE2-NE 3.23Å; E215-R218 IonicContact OE2-NH1 3.36Å; E215-R218 IonicContact OE2-NH2 3.93Å; E215-R218 PolarHBondContact OE2-NH2 3.25Å; E215-R219 WeakPolarHBondContact O-CB 3.33Å; E215-R219 WeakPolarHBondContact O-CG 3.45Å; E215-R219 PolarHBondContact O-N 2.8Å |
| 216 | A | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.3 | -47.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L190 L212 E213 F214 R219 A220 P242 | L190-A216 HydrophobicContact CD1-CB 4.41Å; L212-A216 WeakPolarHBondContact O-CB 3.09Å; L212-A216 PolarHBondContact O-N 3.2Å; E213-A216 PolarHBondContact O-N 2.86Å; F214-A216 PolarHBondContact O-N 3.07Å; A216-R219 PolarHBondContact O-N 3.18Å; A216-A220 PolarHBondContact O-N 3.01Å; A216-P242 HydrophobicContact CB-CB 3.79Å; A216-P242 HydrophobicContact CB-CG 4.1Å |
| 217 | D | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.1 | -42 | -179.9 | -70.6 | -24.3 | 0 | 0 | 0 | 111.5 | E213 F214 R219 A220 F221 G245 R246 L247 Y274 | E213-D217 WeakPolarHBondContact O-CB 3.33Å; E213-D217 PolarHBondContact O-N 3.32Å; F214-D217 PolarHBondContact O-N 3.3Å; D217-R219 VanDerWaalsContact C-N 3.33Å; D217-R219 PolarHBondContact O-N 2.54Å; D217-A220 WeakPolarHBondContact O-CB 3.16Å; D217-A220 PolarHBondContact O-N 2.89Å; D217-A220 VanDerWaalsContact O-N 3.16Å; D217-F221 WeakPolarHBondContact O-CD2 3.32Å; D217-F221 PolarHBondContact O-N 3Å; D217-G245 VanDerWaalsContact OD1-CA 3.25Å; D217-G245 WeakPolarHBondContact OD1-CA 3.18Å; D217-R246 PolarHBondContact OD1-N 2.75Å; D217-R246 WeakPolarHBondContact OD2-CA 3.39Å; D217-R246 WeakPolarHBondContact OD2-CB 3.43Å; D217-R246 PolarHBondContact OD2-N 3.2Å; D217-L247 HydrophobicContact CB-CD1 3.78Å; D217-L247 HydrophobicContact CB-CG 4Å; D217-L247 VanDerWaalsContact OD1-CB 3.28Å; D217-L247 WeakPolarHBondContact OD1-CB 3.34Å; D217-L247 VanDerWaalsContact OD1-CG 3.23Å; D217-L247 WeakPolarHBondContact OD1-CG 3.37Å; D217-L247 PolarHBondContact OD1-N 2.91Å; D217-L247 VanDerWaalsContact OD1-N 3.07Å; D217-L247 PolarHBondContact OD2-N 3.41Å; D217-Y274 HydrophobicContact CB-CE1 4.31Å; D217-Y274 HydrophobicContact CB-CE2 4.07Å; D217-Y274 WeakPolarHBondContact CB-OH 3.44Å; D217-Y274 VanDerWaalsContact CG-OH 3.27Å; D217-Y274 WeakPolarHBondContact OD2-CE2 3.45Å; D217-Y274 VanDerWaalsContact OD2-CZ 3.31Å; D217-Y274 PolarHBondContact OD2-OH 3.39Å |
| 218 | R | 94.8 | Very high | 93.8 | Very high | 34 Ų | 34 | 22.2 Ų | 22.2 | 13% | 0.128 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55 | -49.1 | 172.5 | 179.3 | 179.4 | 79.1 | 174.5 | 1.6 | 110.8 | F214 E215 A220 F221 I222 F294 E298 | F214-R218 WeakPolarHBondContact O-CB 3.46Å; F214-R218 PolarHBondContact O-N 2.98Å; E215-R218 IonicContact OE1-CZ 3.09Å; E215-R218 IonicContact OE1-NE 3.99Å; E215-R218 IonicContact OE1-NH2 3.99Å; E215-R218 PolarHBondContact OE1-NH2 3.17Å; E215-R218 IonicContact OE2-CZ 3.46Å; E215-R218 IonicContact OE2-NE 3.65Å; E215-R218 PolarHBondContact OE2-NE 3.23Å; E215-R218 IonicContact OE2-NH1 3.36Å; E215-R218 IonicContact OE2-NH2 3.93Å; E215-R218 PolarHBondContact OE2-NH2 3.25Å; R218-A220 VanDerWaalsContact C-N 3.34Å; R218-A220 PolarHBondContact O-N 2.99Å; R218-F221 PolarHBondContact O-N 3.01Å; R218-I222 HydrophobicContact CG-CD1 3.75Å; R218-I222 HydrophobicContact CG-CG1 4.49Å; R218-I222 VanDerWaalsContact O-CG1 3.32Å; R218-I222 WeakPolarHBondContact O-CG1 3.35Å; R218-I222 PolarHBondContact O-N 3.05Å; R218-F294 HydrophobicContact CG-CB 4.27Å; R218-F294 HydrophobicContact CG-CD1 4.3Å; R218-F294 HydrophobicContact CG-CD2 3.92Å; R218-F294 HydrophobicContact CG-CE2 4.27Å; R218-F294 HydrophobicContact CG-CG 3.94Å; R218-E298 IonicContact CZ-OE2 2.63Å; R218-E298 IonicContact NH1-OE2 2.66Å; R218-E298 PolarHBondContact NH1-OE2 3.28Å; R218-E298 IonicContact NH2-OE2 2.56Å |
| 219 | R | 94.2 | Very high | 93.2 | Very high | 27 Ų | 27 | 26.5 Ų | 26.5 | 10% | 0.102 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 177.5 | -73.6 | -174.3 | 108.7 | -77.5 | -9.6 | 111.6 | N183 Y186 E215 A216 D217 F221 I222 I223 | N183-R219 PolarHBondContact OD1-NH1 3.3Å; N183-R219 PolarHBondContact OD1-NH2 3.46Å; N183-R219 VanDerWaalsContact OD1-NH2 3.09Å; Y186-R219 VanDerWaalsContact CG-CZ 3.42Å; Y186-R219 VanDerWaalsContact CG-NH2 3.33Å; E215-R219 WeakPolarHBondContact O-CB 3.33Å; E215-R219 WeakPolarHBondContact O-CG 3.45Å; E215-R219 PolarHBondContact O-N 2.8Å; A216-R219 PolarHBondContact O-N 3.18Å; D217-R219 VanDerWaalsContact C-N 3.33Å; D217-R219 PolarHBondContact O-N 2.54Å; R219-F221 PolarHBondContact O-N 3.04Å; R219-I222 PolarHBondContact O-N 3.42Å; R219-I223 WeakPolarHBondContact O-CB 3.48Å; R219-I223 WeakPolarHBondContact O-CD1 3.5Å; R219-I223 WeakPolarHBondContact O-CG1 3.38Å; R219-I223 PolarHBondContact O-N 2.86Å |
| 220 | A | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.3 | -42.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A216 D217 R218 T224 F241 L247 L252 L255 | A216-A220 PolarHBondContact O-N 3.01Å; D217-A220 WeakPolarHBondContact O-CB 3.16Å; D217-A220 PolarHBondContact O-N 2.89Å; D217-A220 VanDerWaalsContact O-N 3.16Å; R218-A220 VanDerWaalsContact C-N 3.34Å; R218-A220 PolarHBondContact O-N 2.99Å; A220-T224 WeakPolarHBondContact O-CB 3.46Å; A220-T224 PolarHBondContact O-N 3.28Å; A220-T224 VanDerWaalsContact O-N 3.07Å; A220-T224 PolarHBondContact O-OG1 3.42Å; A220-F241 HydrophobicContact CB-CB 4.5Å; A220-F241 HydrophobicContact CB-CD1 3.87Å; A220-F241 HydrophobicContact CB-CE1 4.32Å; A220-F241 HydrophobicContact CB-CG 4.25Å; A220-L247 HydrophobicContact CB-CD1 4.34Å; A220-L252 HydrophobicContact CB-CD2 3.54Å; A220-L255 HydrophobicContact CB-CD1 4.07Å |
| 221 | F | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.3 | -49.7 | 173.6 | -75.9 | -58.9 | 0 | 0 | 0 | 112 | D217 R218 R219 T224 I225 L247 L255 V264 A268 Y274 F278 F294 | D217-F221 WeakPolarHBondContact O-CD2 3.32Å; D217-F221 PolarHBondContact O-N 3Å; R218-F221 PolarHBondContact O-N 3.01Å; R219-F221 PolarHBondContact O-N 3.04Å; F221-T224 PolarHBondContact O-N 3.31Å; F221-I225 WeakPolarHBondContact O-CG1 3.45Å; F221-I225 PolarHBondContact O-N 3.09Å; F221-L247 HydrophobicContact CD2-CD1 4.19Å; F221-L247 HydrophobicContact CE1-CD1 4.35Å; F221-L247 HydrophobicContact CE2-CD1 3.73Å; F221-L247 HydrophobicContact CE2-CD2 4.45Å; F221-L247 HydrophobicContact CZ-CD1 3.81Å; F221-L247 HydrophobicContact CZ-CD2 4.04Å; F221-L255 HydrophobicContact CD1-CD1 4.02Å; F221-L255 HydrophobicContact CD1-CD2 3.98Å; F221-L255 HydrophobicContact CE1-CD1 4.15Å; F221-L255 HydrophobicContact CE1-CD2 3.99Å; F221-V264 HydrophobicContact CD1-CG1 3.63Å; F221-V264 HydrophobicContact CE1-CG1 4.1Å; F221-A268 HydrophobicContact CE1-CB 4.07Å; F221-A268 HydrophobicContact CZ-CB 3.93Å; F221-Y274 HydrophobicContact CE2-CD1 4.04Å; F221-Y274 AromaticContact CE2-CD2 3.93Å; F221-Y274 HydrophobicContact CE2-CD2 3.93Å; F221-Y274 HydrophobicContact CE2-CE1 4.47Å; F221-Y274 HydrophobicContact CE2-CE2 4.37Å; F221-Y274 AromaticContact CE2-CG 3.79Å; F221-Y274 HydrophobicContact CE2-CG 3.79Å; F221-Y274 HydrophobicContact CZ-CD2 4.18Å; F221-Y274 HydrophobicContact CZ-CG 4.18Å; F221-F278 HydrophobicContact CD1-CE2 4.03Å; F221-F278 AromaticContact CD1-CZ 3.76Å; F221-F278 HydrophobicContact CD1-CZ 3.76Å; F221-F278 HydrophobicContact CD2-CE2 4.32Å; F221-F278 AromaticContact CE1-CE2 3.95Å; F221-F278 HydrophobicContact CE1-CE2 3.95Å; F221-F278 AromaticContact CE1-CZ 3.99Å; F221-F278 HydrophobicContact CE1-CZ 3.99Å; F221-F278 HydrophobicContact CE2-CE2 4.25Å; F221-F278 HydrophobicContact CG-CE2 4.23Å; F221-F278 HydrophobicContact CG-CZ 4.13Å; F221-F278 HydrophobicContact CZ-CE2 4.06Å; F221-F294 HydrophobicContact CB-CZ 4.19Å; F221-F294 HydrophobicContact CD2-CE1 4.45Å; F221-F294 HydrophobicContact CD2-CZ 4.02Å; F221-F294 HydrophobicContact CG-CZ 4.35Å |
| 222 | I | 92.6 | Very high | 91.6 | Very high | 60 Ų | 60 | 37.8 Ų | 37.8 | 31% | 0.308 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.2 | -45.3 | -178.3 | -67.6 | 170.1 | 0 | 0 | 0 | 111.3 | R218 R219 T224 I225 N226 | R218-I222 HydrophobicContact CG-CD1 3.75Å; R218-I222 HydrophobicContact CG-CG1 4.49Å; R218-I222 VanDerWaalsContact O-CG1 3.32Å; R218-I222 WeakPolarHBondContact O-CG1 3.35Å; R218-I222 PolarHBondContact O-N 3.05Å; R219-I222 PolarHBondContact O-N 3.42Å; I222-T224 VanDerWaalsContact C-N 3.26Å; I222-T224 PolarHBondContact O-N 2.96Å; I222-I225 PolarHBondContact O-N 2.81Å; I222-N226 WeakPolarHBondContact CG2-ND2 3.41Å; I222-N226 VanDerWaalsContact O-CB 3.32Å; I222-N226 WeakPolarHBondContact O-CB 3.47Å; I222-N226 VanDerWaalsContact O-CG 3.32Å; I222-N226 PolarHBondContact O-N 2.89Å |
| 223 | I | 92.1 | Very high | 91.1 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.1 | -43 | 175.9 | -69.2 | 163.8 | 0 | 0 | 0 | 110.1 | N183 R219 S227 R237 L240 F241 | N183-I223 HydrophobicContact CB-CD1 4.01Å; N183-I223 WeakPolarHBondContact OD1-CD1 3.4Å; N183-I223 WeakPolarHBondContact OD1-CG1 2.84Å; R219-I223 WeakPolarHBondContact O-CB 3.48Å; R219-I223 WeakPolarHBondContact O-CD1 3.5Å; R219-I223 WeakPolarHBondContact O-CG1 3.38Å; R219-I223 PolarHBondContact O-N 2.86Å; I223-S227 VanDerWaalsContact O-CB 3.22Å; I223-S227 WeakPolarHBondContact O-CB 3.02Å; I223-S227 PolarHBondContact O-N 3.13Å; I223-S227 PolarHBondContact O-OG 2.82Å; I223-R237 HydrophobicContact CG2-CG 4.41Å; I223-L240 HydrophobicContact CD1-CB 4.21Å; I223-L240 HydrophobicContact CG2-CB 4.32Å; I223-L240 HydrophobicContact CG2-CD1 4.21Å; I223-F241 HydrophobicContact CB-CD1 4.5Å; I223-F241 HydrophobicContact CB-CE1 4.08Å; I223-F241 HydrophobicContact CD1-CD1 4.43Å; I223-F241 HydrophobicContact CG2-CD1 4.36Å; I223-F241 HydrophobicContact CG2-CE1 3.83Å |
| 224 | T | 92.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.1 | -46.4 | 180 | -54 | 0 | 0 | 0 | 0 | 111.4 | A220 F221 I222 S227 F228 F241 L255 A258 V264 | A220-T224 WeakPolarHBondContact O-CB 3.46Å; A220-T224 PolarHBondContact O-N 3.28Å; A220-T224 VanDerWaalsContact O-N 3.07Å; A220-T224 PolarHBondContact O-OG1 3.42Å; F221-T224 PolarHBondContact O-N 3.31Å; I222-T224 VanDerWaalsContact C-N 3.26Å; I222-T224 PolarHBondContact O-N 2.96Å; T224-S227 PolarHBondContact O-N 2.85Å; T224-S227 PolarHBondContact O-OG 2.93Å; T224-F228 HydrophobicContact CG2-CE1 4.45Å; T224-F228 HydrophobicContact CG2-CZ 4.07Å; T224-F241 VanDerWaalsContact OG1-CZ 3.28Å; T224-F241 WeakPolarHBondContact OG1-CZ 3.41Å; T224-L255 HydrophobicContact CG2-CB 4.41Å; T224-L255 HydrophobicContact CG2-CD2 4.27Å; T224-A258 HydrophobicContact CG2-CB 4.15Å; T224-V264 HydrophobicContact CG2-CG2 3.61Å |
| 225 | I | 91.7 | Very high | 90.4 | Very high | 43 Ų | 43 | 49.7 Ų | 49.7 | 22% | 0.221 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 179.2 | -66.5 | 164.4 | 0 | 0 | 0 | 111 | F221 I222 S227 F228 Y261 V264 L290 | F221-I225 WeakPolarHBondContact O-CG1 3.45Å; F221-I225 PolarHBondContact O-N 3.09Å; I222-I225 PolarHBondContact O-N 2.81Å; I225-S227 VanDerWaalsContact C-N 3.29Å; I225-S227 PolarHBondContact O-N 3.09Å; I225-F228 WeakPolarHBondContact O-CD2 3.31Å; I225-F228 PolarHBondContact O-N 3.21Å; I225-Y261 HydrophobicContact CD1-CD2 4.26Å; I225-Y261 HydrophobicContact CD1-CE2 3.9Å; I225-Y261 HydrophobicContact CG1-CD2 4.15Å; I225-Y261 HydrophobicContact CG1-CE2 4.31Å; I225-V264 HydrophobicContact CD1-CG1 4.45Å; I225-V264 HydrophobicContact CG1-CG1 4.27Å; I225-L290 HydrophobicContact CD1-CD2 3.78Å |
| 226 | N | 89.9 | Confident | 90.1 | Very high | 109 Ų | 109 | 51.8 Ų | 51.8 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -74.7 | -19 | -179.6 | -67.9 | -9.2 | 0 | 0 | 0 | 113 | I222 F228 T230 | I222-N226 WeakPolarHBondContact CG2-ND2 3.41Å; I222-N226 VanDerWaalsContact O-CB 3.32Å; I222-N226 WeakPolarHBondContact O-CB 3.47Å; I222-N226 VanDerWaalsContact O-CG 3.32Å; I222-N226 PolarHBondContact O-N 2.89Å; N226-F228 VanDerWaalsContact C-N 3.25Å; N226-F228 PolarHBondContact O-N 3.48Å; N226-T230 WeakPolarHBondContact O-CG2 3.29Å |
| 227 | S | 89.6 | Confident | 89.8 | Confident | 12 Ų | 12 | 52.2 Ų | 52.2 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.2 | -20 | 174.6 | 72 | 0 | 0 | 0 | 0 | 113.2 | I223 T224 I225 G229 T230 R237 | I223-S227 VanDerWaalsContact O-CB 3.22Å; I223-S227 WeakPolarHBondContact O-CB 3.02Å; I223-S227 PolarHBondContact O-N 3.13Å; I223-S227 PolarHBondContact O-OG 2.82Å; T224-S227 PolarHBondContact O-N 2.85Å; T224-S227 PolarHBondContact O-OG 2.93Å; I225-S227 VanDerWaalsContact C-N 3.29Å; I225-S227 PolarHBondContact O-N 3.09Å; S227-G229 PolarHBondContact O-N 3.46Å; S227-T230 PolarHBondContact O-N 2.85Å; S227-T230 VanDerWaalsContact O-N 3.1Å; S227-T230 PolarHBondContact O-OG1 3.46Å; S227-R237 VanDerWaalsContact OG-CD 3.31Å; S227-R237 WeakPolarHBondContact OG-CD 3.48Å; S227-R237 PolarHBondContact OG-NH1 2.89Å |
| 228 | F | 88.8 | Confident | 89.5 | Confident | 62 Ų | 62 | 54 Ų | 54 | 27% | 0.272 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 123.9 | -179.4 | -60.9 | -41 | 0 | 0 | 0 | 111.3 | T224 I225 N226 T230 D259 D260 V264 | T224-F228 HydrophobicContact CG2-CE1 4.45Å; T224-F228 HydrophobicContact CG2-CZ 4.07Å; I225-F228 WeakPolarHBondContact O-CD2 3.31Å; I225-F228 PolarHBondContact O-N 3.21Å; N226-F228 VanDerWaalsContact C-N 3.25Å; N226-F228 PolarHBondContact O-N 3.48Å; F228-T230 VanDerWaalsContact C-N 3.33Å; F228-D259 VanDerWaalsContact CE1-C 3.43Å; F228-D260 VanDerWaalsContact CZ-O 3.29Å; F228-D260 WeakPolarHBondContact CZ-O 3.12Å; F228-V264 HydrophobicContact CE2-CG2 3.98Å; F228-V264 HydrophobicContact CZ-CG2 3.65Å |
| 229 | G | 82.9 | Confident | 89.3 | Confident | 91 Ų | 91 | 58.4 Ų | 58.4 | 94% | 0.938 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | 3.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S227 | S227-G229 PolarHBondContact O-N 3.46Š|
| 230 | T | 85.8 | Confident | 89.1 | Confident | 71 Ų | 71 | 57.4 Ų | 57.4 | 44% | 0.436 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -96.1 | 166.1 | 171.2 | 71.4 | 0 | 0 | 0 | 0 | 111.5 | N226 S227 F228 L232 | N226-T230 WeakPolarHBondContact O-CG2 3.29Å; S227-T230 PolarHBondContact O-N 2.85Å; S227-T230 VanDerWaalsContact O-N 3.1Å; S227-T230 PolarHBondContact O-OG1 3.46Å; F228-T230 VanDerWaalsContact C-N 3.33Å; T230-L232 PolarHBondContact O-N 3.14Å; T230-L232 WeakPolarHBondContact OG1-CB 3.25Å |
| 231 | E | 81.5 | Confident | 89 | Confident | 182 Ų | 182 | 57.5 Ų | 57.5 | 85% | 0.85 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -78.8 | 4.2 | 177.5 | -60.2 | -172.4 | 170.2 | 0 | 0 | 113.4 | S233 | E231-S233 PolarHBondContact O-N 2.92Š|
| 232 | L | 84 | Confident | 89 | Confident | 38 Ų | 38 | 57.5 Ų | 57.5 | 20% | 0.199 | 32% | 0.316 | C | S | . | . | trans | -68.1 | 121.8 | -176.3 | -170.1 | 69.1 | 0 | 0 | 0 | 111.4 | I180 T230 D236 R237 L240 | I180-L232 HydrophobicContact CD1-CD1 4.05Å; I180-L232 HydrophobicContact CG1-CD1 4.42Å; T230-L232 PolarHBondContact O-N 3.14Å; T230-L232 WeakPolarHBondContact OG1-CB 3.25Å; L232-D236 HydrophobicContact CD1-CB 3.66Å; L232-D236 HydrophobicContact CG-CB 4.36Å; L232-R237 HydrophobicContact CD2-CB 3.93Å; L232-R237 HydrophobicContact CG-CB 4.35Å; L232-L240 HydrophobicContact CD2-CD1 3.87Å | ||
| 233 | S | 86.4 | Confident | 89 | Confident | 45 Ų | 45 | 58.2 Ų | 58.2 | 32% | 0.315 | 32% | 0.317 | S | S | . | . | trans | -67.1 | 154.8 | 177.5 | 84.8 | 0 | 0 | 0 | 0 | 111.6 | E231 E235 D236 R237 | E231-S233 PolarHBondContact O-N 2.92Å; S233-E235 PolarHBondContact O-N 3.31Å; S233-E235 PolarHBondContact OG-N 3.24Å; S233-D236 PolarHBondContact O-N 3.44Å; S233-D236 PolarHBondContact OG-N 3.27Å; S233-D236 PolarHBondContact OG-OD2 3.33Å; S233-R237 WeakPolarHBondContact O-CB 3.46Å; S233-R237 PolarHBondContact O-N 2.86Å | ||
| 234 | K | 88.7 | Confident | 89.1 | Confident | 89 Ų | 89 | 58.2 Ų | 58.2 | 39% | 0.387 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.8 | -33.5 | 174.9 | -67.9 | -171.9 | 179.4 | -163.2 | 0 | 112.3 | A238 A256 R257 D259 | K234-A238 PolarHBondContact O-N 2.93Å; K234-A256 WeakPolarHBondContact CB-O 3.46Å; K234-R257 PolarHBondContact NZ-O 3.1Å; K234-D259 WeakPolarHBondContact CE-OD1 3.34Å; K234-D259 IonicContact NZ-OD1 2.79Å; K234-D259 PolarHBondContact NZ-OD1 2.85Å; K234-D259 IonicContact NZ-OD2 3.14Å; K234-D259 PolarHBondContact NZ-OD2 3.3Å |
| 235 | E | 88 | Confident | 89 | Confident | 149 Ų | 149 | 58.7 Ų | 58.7 | 70% | 0.696 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -72.5 | -43.4 | 178.7 | -65.1 | -175.9 | -178.5 | 0 | 0 | 111.9 | S233 A238 K239 | S233-E235 PolarHBondContact O-N 3.31Å; S233-E235 PolarHBondContact OG-N 3.24Å; E235-A238 WeakPolarHBondContact O-CB 3.47Å; E235-A238 PolarHBondContact O-N 3.03Å; E235-K239 PolarHBondContact O-N 3.38Å |
| 236 | D | 87 | Confident | 89.1 | Confident | 64 Ų | 64 | 61.4 Ų | 61.4 | 34% | 0.342 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.5 | -37.9 | 178.7 | -61.7 | -43.5 | 0 | 0 | 0 | 111.1 | L232 S233 A238 K239 L240 | L232-D236 HydrophobicContact CD1-CB 3.66Å; L232-D236 HydrophobicContact CG-CB 4.36Å; S233-D236 PolarHBondContact O-N 3.44Å; S233-D236 PolarHBondContact OG-N 3.27Å; S233-D236 PolarHBondContact OG-OD2 3.33Å; D236-A238 VanDerWaalsContact C-N 3.29Å; D236-A238 PolarHBondContact O-N 2.89Å; D236-K239 WeakPolarHBondContact O-CB 3.34Å; D236-K239 PolarHBondContact O-N 3.31Å; D236-K239 VanDerWaalsContact O-N 3.08Å; D236-K239 IonicContact OD1-NZ 3.08Å; D236-K239 PolarHBondContact OD1-NZ 2.91Å; D236-L240 PolarHBondContact O-N 2.56Å |
| 237 | R | 89.7 | Confident | 89.1 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 4% | 0.038 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -54.3 | -45.1 | 169.9 | 178.4 | 171.5 | 64.3 | 178.7 | 2 | 112.2 | I223 S227 L232 S233 K239 L240 F241 L255 A256 A258 | I223-R237 HydrophobicContact CG2-CG 4.41Å; S227-R237 VanDerWaalsContact OG-CD 3.31Å; S227-R237 WeakPolarHBondContact OG-CD 3.48Å; S227-R237 PolarHBondContact OG-NH1 2.89Å; L232-R237 HydrophobicContact CD2-CB 3.93Å; L232-R237 HydrophobicContact CG-CB 4.35Å; S233-R237 WeakPolarHBondContact O-CB 3.46Å; S233-R237 PolarHBondContact O-N 2.86Å; R237-K239 VanDerWaalsContact C-N 3.26Å; R237-K239 PolarHBondContact O-N 3.31Å; R237-L240 PolarHBondContact O-N 3.24Å; R237-L240 VanDerWaalsContact O-N 3.1Å; R237-F241 HydrophobicContact CG-CE1 3.9Å; R237-F241 HydrophobicContact CG-CE2 4.23Å; R237-F241 HydrophobicContact CG-CZ 3.47Å; R237-F241 VanDerWaalsContact CG-CZ 3.47Å; R237-L255 VanDerWaalsContact CZ-O 3.24Å; R237-L255 PolarHBondContact NH2-O 3.06Å; R237-A256 PolarHBondContact NH2-O 3.14Å; R237-A258 PolarHBondContact NH1-O 3.43Å; R237-A258 PolarHBondContact NH2-O 3.47Å |
| 238 | A | 90.6 | Very high | 89.2 | Confident | 38 Ų | 38 | 61.7 Ų | 61.7 | 31% | 0.314 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62 | -34.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K234 E235 D236 L240 F241 A256 | K234-A238 PolarHBondContact O-N 2.93Å; E235-A238 WeakPolarHBondContact O-CB 3.47Å; E235-A238 PolarHBondContact O-N 3.03Å; D236-A238 VanDerWaalsContact C-N 3.29Å; D236-A238 PolarHBondContact O-N 2.89Å; A238-L240 PolarHBondContact O-N 3.21Å; A238-F241 PolarHBondContact O-N 3.09Å; A238-A256 HydrophobicContact CB-CB 3.79Å |
| 239 | K | 89.5 | Confident | 89.4 | Confident | 125 Ų | 125 | 62.5 Ų | 62.5 | 54% | 0.543 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.5 | -21.5 | 177.2 | -64 | 171.1 | -165.8 | 157.9 | 0 | 112.7 | K187 E235 D236 R237 | K187-K239 VanDerWaalsContact CD-O 3.27Å; K187-K239 WeakPolarHBondContact CD-O 3.42Å; K187-K239 PolarHBondContact NZ-O 3.33Å; E235-K239 PolarHBondContact O-N 3.38Å; D236-K239 WeakPolarHBondContact O-CB 3.34Å; D236-K239 PolarHBondContact O-N 3.31Å; D236-K239 VanDerWaalsContact O-N 3.08Å; D236-K239 IonicContact OD1-NZ 3.08Å; D236-K239 PolarHBondContact OD1-NZ 2.91Å; R237-K239 VanDerWaalsContact C-N 3.26Å; R237-K239 PolarHBondContact O-N 3.31Å |
| 240 | L | 90.7 | Very high | 89.9 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 4% | 0.037 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -84.3 | -14.7 | -179.1 | -60 | 173.5 | 0 | 0 | 0 | 113.9 | I180 N183 T184 I223 L232 D236 R237 A238 | I180-L240 HydrophobicContact CG2-CD2 3.83Å; N183-L240 HydrophobicContact CB-CB 4.21Å; N183-L240 HydrophobicContact CB-CD1 4.4Å; N183-L240 HydrophobicContact CB-CD2 4Å; N183-L240 HydrophobicContact CB-CG 4.42Å; T184-L240 WeakPolarHBondContact OG1-CD2 3.42Å; I223-L240 HydrophobicContact CD1-CB 4.21Å; I223-L240 HydrophobicContact CG2-CB 4.32Å; I223-L240 HydrophobicContact CG2-CD1 4.21Å; L232-L240 HydrophobicContact CD2-CD1 3.87Å; D236-L240 PolarHBondContact O-N 2.56Å; R237-L240 PolarHBondContact O-N 3.24Å; R237-L240 VanDerWaalsContact O-N 3.1Å; A238-L240 PolarHBondContact O-N 3.21Å |
| 241 | F | 92.7 | Very high | 90.2 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -76.6 | 132.1 | -176.9 | -57.3 | -33.6 | 0 | 0 | 0 | 112.1 | K187 A220 I223 T224 R237 A238 L252 L255 A256 | K187-F241 VanDerWaalsContact CD-O 3.28Å; K187-F241 WeakPolarHBondContact CD-O 3.21Å; K187-F241 WeakPolarHBondContact CE-O 3.46Å; K187-F241 PolarHBondContact NZ-O 2.88Å; A220-F241 HydrophobicContact CB-CB 4.5Å; A220-F241 HydrophobicContact CB-CD1 3.87Å; A220-F241 HydrophobicContact CB-CE1 4.32Å; A220-F241 HydrophobicContact CB-CG 4.25Å; I223-F241 HydrophobicContact CB-CD1 4.5Å; I223-F241 HydrophobicContact CB-CE1 4.08Å; I223-F241 HydrophobicContact CD1-CD1 4.43Å; I223-F241 HydrophobicContact CG2-CD1 4.36Å; I223-F241 HydrophobicContact CG2-CE1 3.83Å; T224-F241 VanDerWaalsContact OG1-CZ 3.28Å; T224-F241 WeakPolarHBondContact OG1-CZ 3.41Å; R237-F241 HydrophobicContact CG-CE1 3.9Å; R237-F241 HydrophobicContact CG-CE2 4.23Å; R237-F241 HydrophobicContact CG-CZ 3.47Å; R237-F241 VanDerWaalsContact CG-CZ 3.47Å; A238-F241 PolarHBondContact O-N 3.09Å; F241-L252 HydrophobicContact CB-CD1 3.89Å; F241-L252 HydrophobicContact CB-CD2 4.02Å; F241-L252 HydrophobicContact CB-CG 4.46Å; F241-L252 HydrophobicContact CD2-CB 4.16Å; F241-L252 HydrophobicContact CD2-CD2 4.1Å; F241-L252 HydrophobicContact CG-CD2 4.13Å; F241-L255 HydrophobicContact CE2-CB 4.13Å; F241-L255 HydrophobicContact CZ-CB 4.15Å; F241-A256 HydrophobicContact CE2-CB 3.95Å |
| 242 | P | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -70.7 | 137.8 | 169.7 | -9 | 24.3 | 0 | 0 | 0 | 111.1 | K187 L190 A216 L252 | K187-P242 HydrophobicContact CB-CB 4.49Å; K187-P242 HydrophobicContact CB-CG 4.3Å; K187-P242 HydrophobicContact CG-CB 4.47Å; L190-P242 HydrophobicContact CB-CB 4.4Å; L190-P242 HydrophobicContact CD1-CB 4.35Å; L190-P242 HydrophobicContact CD1-CG 3.91Å; A216-P242 HydrophobicContact CB-CB 3.79Å; A216-P242 HydrophobicContact CB-CG 4.1Å; P242-L252 WeakPolarHBondContact O-CD1 3.29Å | ||
| 243 | H | 93.5 | Very high | 91.2 | Very high | 74 Ų | 74 | 53.5 Ų | 53.5 | 34% | 0.343 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 10 | -175.6 | -51.8 | 106.7 | 0 | 0 | 0 | 114.8 | K187 E191 Y248 | K187-H243 PolarHBondContact NZ-CE1 3.4Å; E191-H243 IonicContact OE1-CE1 2.67Å; E191-H243 IonicContact OE1-CG 2.82Å; E191-H243 PolarHBondContact OE1-N 2.98Å; E191-H243 IonicContact OE1-ND1 3.63Å; E191-H243 PolarHBondContact OE1-ND1 3.4Å; H243-Y248 HydrophobicContact CB-CD1 4.43Å; H243-Y248 HydrophobicContact CB-CD2 3.86Å; H243-Y248 HydrophobicContact CB-CE2 4.03Å; H243-Y248 HydrophobicContact CB-CG 4.06Å; H243-Y248 AromaticContact CD2-CD2 3.52Å; H243-Y248 AromaticContact CD2-CE2 3.42Å; H243-Y248 VanDerWaalsContact CD2-CE2 3.42Å; H243-Y248 WeakPolarHBondContact CD2-CE2 3.43Å |
| 244 | C | 92.9 | Very high | 91.5 | Very high | 12 Ų | 12 | 54.8 Ų | 54.8 | 8% | 0.081 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -2.1 | -179.8 | 54 | 0 | 0 | 0 | 0 | 114.3 | Y194 E213 | Y194-C244 HydrophobicContact CD1-CB 3.87Å; Y194-C244 HydrophobicContact CD2-CB 3.78Å; Y194-C244 HydrophobicContact CE1-CB 4.41Å; Y194-C244 HydrophobicContact CE2-CB 4.34Å; Y194-C244 HydrophobicContact CG-CB 3.51Å; E213-C244 WeakPolarHBondContact CG-O 3.5Å |
| 245 | G | 92.3 | Very high | 91.7 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -87.1 | 173.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D217 L247 Y248 | D217-G245 VanDerWaalsContact OD1-CA 3.25Å; D217-G245 WeakPolarHBondContact OD1-CA 3.18Å; G245-L247 VanDerWaalsContact C-N 3.28Å; G245-L247 PolarHBondContact O-N 3.41Å; G245-Y248 PolarHBondContact O-N 3.37Å |
| 246 | R | 92.2 | Very high | 92 | Very high | 100 Ų | 100 | 44 Ų | 44 | 38% | 0.377 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -18.8 | -180 | -61.7 | -179.7 | 177.1 | -172.9 | -0.1 | 112.7 | E213 D217 Y248 Y271 E273 | E213-R246 HydrophobicContact CB-CG 4.38Å; E213-R246 HydrophobicContact CG-CG 4.43Å; E213-R246 IonicContact OE2-NE 3.86Å; E213-R246 PolarHBondContact OE2-NE 3.01Å; E213-R246 IonicContact OE2-NH2 2.75Å; D217-R246 PolarHBondContact OD1-N 2.75Å; D217-R246 WeakPolarHBondContact OD2-CA 3.39Å; D217-R246 WeakPolarHBondContact OD2-CB 3.43Å; D217-R246 PolarHBondContact OD2-N 3.2Å; R246-Y248 PolarHBondContact O-N 3.35Å; R246-Y271 VanDerWaalsContact O-CE1 3.32Å; R246-Y271 WeakPolarHBondContact O-CE1 3.32Å; R246-E273 IonicContact CZ-OE1 3.57Å; R246-E273 IonicContact CZ-OE2 3.51Å; R246-E273 IonicContact NH1-OE1 3.71Å; R246-E273 PolarHBondContact NH1-OE1 3.46Å; R246-E273 IonicContact NH1-OE2 3.07Å; R246-E273 PolarHBondContact NH1-OE2 3.16Å |
| 247 | L | 91.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -19.6 | 173.8 | -62.8 | 175.8 | 0 | 0 | 0 | 112 | D217 A220 F221 G245 P249 E250 G251 L252 L255 V267 Y271 Y274 | D217-L247 HydrophobicContact CB-CD1 3.78Å; D217-L247 HydrophobicContact CB-CG 4Å; D217-L247 VanDerWaalsContact OD1-CB 3.28Å; D217-L247 WeakPolarHBondContact OD1-CB 3.34Å; D217-L247 VanDerWaalsContact OD1-CG 3.23Å; D217-L247 WeakPolarHBondContact OD1-CG 3.37Å; D217-L247 PolarHBondContact OD1-N 2.91Å; D217-L247 VanDerWaalsContact OD1-N 3.07Å; D217-L247 PolarHBondContact OD2-N 3.41Å; A220-L247 HydrophobicContact CB-CD1 4.34Å; F221-L247 HydrophobicContact CD2-CD1 4.19Å; F221-L247 HydrophobicContact CE1-CD1 4.35Å; F221-L247 HydrophobicContact CE2-CD1 3.73Å; F221-L247 HydrophobicContact CE2-CD2 4.45Å; F221-L247 HydrophobicContact CZ-CD1 3.81Å; F221-L247 HydrophobicContact CZ-CD2 4.04Å; G245-L247 VanDerWaalsContact C-N 3.28Å; G245-L247 PolarHBondContact O-N 3.41Å; L247-P249 CarbonylContact O-C 3.59Å; L247-E250 PolarHBondContact O-N 3.09Å; L247-G251 CarbonylContact O-C 3.59Å; L247-G251 WeakPolarHBondContact O-CA 3.32Å; L247-G251 PolarHBondContact O-N 3.44Å; L247-L252 HydrophobicContact CB-CD2 3.71Å; L247-L252 HydrophobicContact CB-CG 3.92Å; L247-L252 HydrophobicContact CD1-CD2 4.2Å; L247-L252 PolarHBondContact O-N 3.34Å; L247-L255 HydrophobicContact CD1-CD1 3.71Å; L247-V267 HydrophobicContact CD2-CG1 4.39Å; L247-Y271 HydrophobicContact CD2-CD2 3.67Å; L247-Y271 HydrophobicContact CD2-CE1 4.31Å; L247-Y271 HydrophobicContact CD2-CE2 3.43Å; L247-Y271 VanDerWaalsContact CD2-CE2 3.43Å; L247-Y271 HydrophobicContact CD2-CG 4.23Å; L247-Y274 HydrophobicContact CD2-CD2 4.13Å; L247-Y274 HydrophobicContact CD2-CE2 4.13Å; L247-Y274 HydrophobicContact CG-CE2 4.26Å |
| 248 | Y | 91.4 | Very high | 92.4 | Very high | 128 Ų | 128 | 49 Ų | 49 | 50% | 0.502 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 134.1 | 178.2 | -178.6 | -103.1 | 0 | 0 | 0 | 111.1 | H243 G245 R246 L252 | H243-Y248 HydrophobicContact CB-CD1 4.43Å; H243-Y248 HydrophobicContact CB-CD2 3.86Å; H243-Y248 HydrophobicContact CB-CE2 4.03Å; H243-Y248 HydrophobicContact CB-CG 4.06Å; H243-Y248 AromaticContact CD2-CD2 3.52Å; H243-Y248 AromaticContact CD2-CE2 3.42Å; H243-Y248 VanDerWaalsContact CD2-CE2 3.42Å; H243-Y248 WeakPolarHBondContact CD2-CE2 3.43Å; G245-Y248 PolarHBondContact O-N 3.37Å; R246-Y248 PolarHBondContact O-N 3.35Å; Y248-L252 HydrophobicContact CD2-CD1 4.02Å; Y248-L252 HydrophobicContact CG-CD1 4.46Å |
| 249 | P | 92.6 | Very high | 92.4 | Very high | 79 Ų | 79 | 51.9 Ų | 51.9 | 51% | 0.513 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -93.5 | -27.1 | -0.9 | 33.8 | -33 | 0 | 0 | 0 | 115 | L247 A253 | L247-P249 CarbonylContact O-C 3.59Å; P249-A253 PolarHBondContact O-N 3.46Å |
| 250 | E | 92.5 | Very high | 92.5 | Very high | 141 Ų | 141 | 49 Ų | 49 | 66% | 0.659 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -74.1 | -43.8 | -166.3 | -64.5 | -173.5 | 176.4 | 0 | 0 | 113.7 | L247 L252 A253 Q254 | L247-E250 PolarHBondContact O-N 3.09Å; E250-L252 PolarHBondContact O-N 2.92Å; E250-A253 PolarHBondContact O-N 3.37Å; E250-Q254 WeakPolarHBondContact O-CG 3.5Å; E250-Q254 PolarHBondContact O-N 2.94Å |
| 251 | G | 92.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L247 A253 Q254 L255 Y271 | L247-G251 CarbonylContact O-C 3.59Å; L247-G251 WeakPolarHBondContact O-CA 3.32Å; L247-G251 PolarHBondContact O-N 3.44Å; G251-A253 PolarHBondContact O-N 3.3Å; G251-Q254 PolarHBondContact O-N 2.77Å; G251-L255 WeakPolarHBondContact O-CG 3.36Å; G251-L255 PolarHBondContact O-N 3.48Å; G251-Y271 PolarHBondContact N-OH 3.46Å |
| 252 | L | 93.8 | Very high | 92.4 | Very high | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 175.8 | -65.7 | -171.6 | 0 | 0 | 0 | 112.3 | A220 F241 P242 L247 Y248 E250 Q254 L255 A256 | A220-L252 HydrophobicContact CB-CD2 3.54Å; F241-L252 HydrophobicContact CB-CD1 3.89Å; F241-L252 HydrophobicContact CB-CD2 4.02Å; F241-L252 HydrophobicContact CB-CG 4.46Å; F241-L252 HydrophobicContact CD2-CB 4.16Å; F241-L252 HydrophobicContact CD2-CD2 4.1Å; F241-L252 HydrophobicContact CG-CD2 4.13Å; P242-L252 WeakPolarHBondContact O-CD1 3.29Å; L247-L252 HydrophobicContact CB-CD2 3.71Å; L247-L252 HydrophobicContact CB-CG 3.92Å; L247-L252 HydrophobicContact CD1-CD2 4.2Å; L247-L252 PolarHBondContact O-N 3.34Å; Y248-L252 HydrophobicContact CD2-CD1 4.02Å; Y248-L252 HydrophobicContact CG-CD1 4.46Å; E250-L252 PolarHBondContact O-N 2.92Å; L252-Q254 VanDerWaalsContact C-N 3.28Å; L252-Q254 PolarHBondContact O-N 3.43Å; L252-L255 HydrophobicContact CD2-CD1 4.35Å; L252-L255 PolarHBondContact O-N 3.47Å; L252-A256 VanDerWaalsContact O-CB 3.28Å; L252-A256 WeakPolarHBondContact O-CB 3.43Å; L252-A256 PolarHBondContact O-N 3.06Å |
| 253 | A | 93.4 | Very high | 92.4 | Very high | 42 Ų | 42 | 61.4 Ų | 61.4 | 35% | 0.347 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.8 | -33.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P249 E250 G251 R257 | P249-A253 PolarHBondContact O-N 3.46Å; E250-A253 PolarHBondContact O-N 3.37Å; G251-A253 PolarHBondContact O-N 3.3Å; A253-R257 WeakPolarHBondContact O-CG 3.39Å |
| 254 | Q | 92.8 | Very high | 92.3 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 34% | 0.341 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -73.9 | -44.6 | 174.2 | -66.4 | 179.8 | 44.6 | 0 | 0 | 111.7 | E250 G251 L252 A256 R257 A258 V267 | E250-Q254 WeakPolarHBondContact O-CG 3.5Å; E250-Q254 PolarHBondContact O-N 2.94Å; G251-Q254 PolarHBondContact O-N 2.77Å; L252-Q254 VanDerWaalsContact C-N 3.28Å; L252-Q254 PolarHBondContact O-N 3.43Å; Q254-A256 VanDerWaalsContact C-N 3.29Å; Q254-A256 PolarHBondContact O-N 3.02Å; Q254-R257 CarbonylContact O-C 3.46Å; Q254-R257 WeakPolarHBondContact O-CA 3.19Å; Q254-R257 PolarHBondContact O-N 3.35Å; Q254-A258 PolarHBondContact O-N 3.03Å; Q254-V267 HydrophobicContact CB-CG1 4.44Å; Q254-V267 HydrophobicContact CB-CG2 3.49Å; Q254-V267 VanDerWaalsContact CB-CG2 3.49Å |
| 255 | L | 93.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.6 | -41 | 174 | -74 | -176.9 | 0 | 0 | 0 | 111.9 | A220 F221 T224 R237 F241 L247 G251 L252 R257 A258 V264 V267 | A220-L255 HydrophobicContact CB-CD1 4.07Å; F221-L255 HydrophobicContact CD1-CD1 4.02Å; F221-L255 HydrophobicContact CD1-CD2 3.98Å; F221-L255 HydrophobicContact CE1-CD1 4.15Å; F221-L255 HydrophobicContact CE1-CD2 3.99Å; T224-L255 HydrophobicContact CG2-CB 4.41Å; T224-L255 HydrophobicContact CG2-CD2 4.27Å; R237-L255 VanDerWaalsContact CZ-O 3.24Å; R237-L255 PolarHBondContact NH2-O 3.06Å; F241-L255 HydrophobicContact CE2-CB 4.13Å; F241-L255 HydrophobicContact CZ-CB 4.15Å; L247-L255 HydrophobicContact CD1-CD1 3.71Å; G251-L255 WeakPolarHBondContact O-CG 3.36Å; G251-L255 PolarHBondContact O-N 3.48Å; L252-L255 HydrophobicContact CD2-CD1 4.35Å; L252-L255 PolarHBondContact O-N 3.47Å; L255-R257 PolarHBondContact O-N 3.49Å; L255-R257 VanDerWaalsContact O-N 3.12Å; L255-A258 WeakPolarHBondContact O-CB 3.44Å; L255-A258 PolarHBondContact O-N 2.89Å; L255-A258 VanDerWaalsContact O-N 3.14Å; L255-V264 HydrophobicContact CD2-CB 4.33Å; L255-V264 HydrophobicContact CD2-CG1 3.9Å; L255-V264 HydrophobicContact CD2-CG2 4.19Å; L255-V267 HydrophobicContact CD2-CB 4.03Å; L255-V267 HydrophobicContact CD2-CG1 4.17Å; L255-V267 HydrophobicContact CD2-CG2 4.11Å; L255-V267 HydrophobicContact CG-CB 4.46Å; L255-V267 HydrophobicContact CG-CG1 4.09Å; L255-V267 HydrophobicContact CG-CG2 4.49Å |
| 256 | A | 93.2 | Very high | 92.2 | Very high | 11 Ų | 11 | 63.7 Ų | 63.7 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K234 R237 A238 F241 L252 Q254 | K234-A256 WeakPolarHBondContact CB-O 3.46Å; R237-A256 PolarHBondContact NH2-O 3.14Å; A238-A256 HydrophobicContact CB-CB 3.79Å; F241-A256 HydrophobicContact CE2-CB 3.95Å; L252-A256 VanDerWaalsContact O-CB 3.28Å; L252-A256 WeakPolarHBondContact O-CB 3.43Å; L252-A256 PolarHBondContact O-N 3.06Å; Q254-A256 VanDerWaalsContact C-N 3.29Å; Q254-A256 PolarHBondContact O-N 3.02Å |
| 257 | R | 92.2 | Very high | 92.2 | Very high | 177 Ų | 177 | 59.1 Ų | 59.1 | 67% | 0.668 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -15.7 | 177.7 | -68.3 | 174.8 | -172.9 | 161.6 | 4.6 | 113.8 | K234 A253 Q254 L255 | K234-R257 PolarHBondContact NZ-O 3.1Å; A253-R257 WeakPolarHBondContact O-CG 3.39Å; Q254-R257 CarbonylContact O-C 3.46Å; Q254-R257 WeakPolarHBondContact O-CA 3.19Å; Q254-R257 PolarHBondContact O-N 3.35Å; L255-R257 PolarHBondContact O-N 3.49Å; L255-R257 VanDerWaalsContact O-N 3.12Å |
| 258 | A | 92.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 2% | 0.017 | 28% | 0.284 | C | S | . | . | trans | -59 | 133.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T224 R237 Q254 L255 Q263 V264 | T224-A258 HydrophobicContact CG2-CB 4.15Å; R237-A258 PolarHBondContact NH1-O 3.43Å; R237-A258 PolarHBondContact NH2-O 3.47Å; Q254-A258 PolarHBondContact O-N 3.03Å; L255-A258 WeakPolarHBondContact O-CB 3.44Å; L255-A258 PolarHBondContact O-N 2.89Å; L255-A258 VanDerWaalsContact O-N 3.14Å; A258-Q263 VanDerWaalsContact CA-OE1 3.29Å; A258-Q263 HydrophobicContact CB-CB 3.93Å; A258-V264 HydrophobicContact CB-CG2 4.01Å | ||
| 259 | D | 90.5 | Very high | 92.2 | Very high | 98 Ų | 98 | 55.7 Ų | 55.7 | 52% | 0.524 | 28% | 0.275 | S | S | . | . | trans | -105.7 | -15.2 | 179.6 | -70 | -53.2 | 0 | 0 | 0 | 113.4 | F228 K234 | F228-D259 VanDerWaalsContact CE1-C 3.43Å; K234-D259 WeakPolarHBondContact CE-OD1 3.34Å; K234-D259 IonicContact NZ-OD1 2.79Å; K234-D259 PolarHBondContact NZ-OD1 2.85Å; K234-D259 IonicContact NZ-OD2 3.14Å; K234-D259 PolarHBondContact NZ-OD2 3.3Å | ||
| 260 | D | 91.9 | Very high | 92.1 | Very high | 65 Ų | 65 | 59.8 Ų | 59.8 | 35% | 0.348 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -150.5 | 170.6 | -176.4 | 61.2 | 54.8 | 0 | 0 | 0 | 112 | F228 E262 Q263 V264 | F228-D260 VanDerWaalsContact CZ-O 3.29Å; F228-D260 WeakPolarHBondContact CZ-O 3.12Å; D260-E262 VanDerWaalsContact C-N 3.32Å; D260-E262 PolarHBondContact O-N 3.2Å; D260-E262 WeakPolarHBondContact OD1-CA 3.45Å; D260-E262 WeakPolarHBondContact OD1-CB 3.38Å; D260-E262 PolarHBondContact OD1-N 2.64Å; D260-Q263 PolarHBondContact O-N 2.89Å; D260-Q263 WeakPolarHBondContact OD1-CG 3.44Å; D260-Q263 PolarHBondContact OD1-N 2.7Å; D260-Q263 PolarHBondContact OD2-NE2 2.95Å; D260-V264 PolarHBondContact O-N 2.93Å |
| 261 | Y | 90.9 | Very high | 92 | Very high | 90 Ų | 90 | 55.5 Ų | 55.5 | 35% | 0.353 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.4 | -32.5 | -179.4 | -173.8 | -94.8 | 0 | 0 | 0 | 113.3 | I225 V264 K265 F278 L290 | I225-Y261 HydrophobicContact CD1-CD2 4.26Å; I225-Y261 HydrophobicContact CD1-CE2 3.9Å; I225-Y261 HydrophobicContact CG1-CD2 4.15Å; I225-Y261 HydrophobicContact CG1-CE2 4.31Å; Y261-V264 WeakPolarHBondContact O-CB 3.5Å; Y261-V264 PolarHBondContact O-N 3.32Å; Y261-K265 PolarHBondContact O-N 3.43Å; Y261-F278 HydrophobicContact CE2-CE1 4.34Å; Y261-L290 HydrophobicContact CE2-CD2 4.47Å |
| 262 | E | 91.1 | Very high | 91.9 | Very high | 114 Ų | 114 | 60.4 Ų | 60.4 | 53% | 0.533 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.3 | -38.5 | 178.8 | -71.2 | -65.4 | 158.2 | 0 | 0 | 111 | D260 V264 K265 N266 | D260-E262 VanDerWaalsContact C-N 3.32Å; D260-E262 PolarHBondContact O-N 3.2Å; D260-E262 WeakPolarHBondContact OD1-CA 3.45Å; D260-E262 WeakPolarHBondContact OD1-CB 3.38Å; D260-E262 PolarHBondContact OD1-N 2.64Å; E262-V264 VanDerWaalsContact C-N 3.33Å; E262-V264 PolarHBondContact O-N 3.07Å; E262-K265 WeakPolarHBondContact O-CB 3.36Å; E262-K265 PolarHBondContact O-N 3.29Å; E262-N266 PolarHBondContact O-N 3.31Å; E262-N266 PolarHBondContact O-ND2 2.9Å |
| 263 | Q | 92.7 | Very high | 91.6 | Very high | 65 Ų | 65 | 63.7 Ų | 63.7 | 30% | 0.304 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 173.6 | -68.9 | 174.7 | 35.6 | 0 | 0 | 111.7 | A258 D260 K265 N266 V267 | A258-Q263 VanDerWaalsContact CA-OE1 3.29Å; A258-Q263 HydrophobicContact CB-CB 3.93Å; D260-Q263 PolarHBondContact O-N 2.89Å; D260-Q263 WeakPolarHBondContact OD1-CG 3.44Å; D260-Q263 PolarHBondContact OD1-N 2.7Å; D260-Q263 PolarHBondContact OD2-NE2 2.95Å; Q263-K265 VanDerWaalsContact C-N 3.35Å; Q263-N266 PolarHBondContact O-N 2.94Å; Q263-V267 WeakPolarHBondContact O-CG2 3.46Å; Q263-V267 PolarHBondContact O-N 3.45Å; Q263-V267 VanDerWaalsContact O-N 3.1Å |
| 264 | V | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 173.9 | 177.5 | 0 | 0 | 0 | 0 | 111 | F221 T224 I225 F228 L255 A258 D260 Y261 E262 V267 A268 F278 | F221-V264 HydrophobicContact CD1-CG1 3.63Å; F221-V264 HydrophobicContact CE1-CG1 4.1Å; T224-V264 HydrophobicContact CG2-CG2 3.61Å; I225-V264 HydrophobicContact CD1-CG1 4.45Å; I225-V264 HydrophobicContact CG1-CG1 4.27Å; F228-V264 HydrophobicContact CE2-CG2 3.98Å; F228-V264 HydrophobicContact CZ-CG2 3.65Å; L255-V264 HydrophobicContact CD2-CB 4.33Å; L255-V264 HydrophobicContact CD2-CG1 3.9Å; L255-V264 HydrophobicContact CD2-CG2 4.19Å; A258-V264 HydrophobicContact CB-CG2 4.01Å; D260-V264 PolarHBondContact O-N 2.93Å; Y261-V264 WeakPolarHBondContact O-CB 3.5Å; Y261-V264 PolarHBondContact O-N 3.32Å; E262-V264 VanDerWaalsContact C-N 3.33Å; E262-V264 PolarHBondContact O-N 3.07Å; V264-V267 WeakPolarHBondContact O-CB 3.44Å; V264-V267 PolarHBondContact O-N 3.36Å; V264-A268 PolarHBondContact O-N 3.45Å; V264-A268 VanDerWaalsContact O-N 3.08Å; V264-F278 HydrophobicContact CG1-CE1 4.09Å; V264-F278 HydrophobicContact CG1-CZ 3.97Å |
| 265 | K | 91.2 | Very high | 91.3 | Very high | 62 Ų | 62 | 62 Ų | 62 | 27% | 0.27 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 175.6 | -175.1 | 178.7 | 177.5 | -177 | 0 | 112.1 | Y261 E262 Q263 V267 A268 D269 F278 | Y261-K265 PolarHBondContact O-N 3.43Å; E262-K265 WeakPolarHBondContact O-CB 3.36Å; E262-K265 PolarHBondContact O-N 3.29Å; Q263-K265 VanDerWaalsContact C-N 3.35Å; K265-V267 VanDerWaalsContact C-N 3.26Å; K265-V267 PolarHBondContact O-N 2.88Å; K265-A268 CarbonylContact O-C 3.52Å; K265-A268 WeakPolarHBondContact O-CA 3.29Å; K265-A268 WeakPolarHBondContact O-CB 3.05Å; K265-A268 PolarHBondContact O-N 3.3Å; K265-D269 PolarHBondContact O-N 3.41Å; K265-F278 HydrophobicContact CB-CD1 4.18Å; K265-F278 HydrophobicContact CG-CB 4.28Å; K265-F278 HydrophobicContact CG-CD1 4.22Å |
| 266 | N | 92 | Very high | 91.1 | Very high | 81 Ų | 81 | 67.7 Ų | 67.7 | 43% | 0.433 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.8 | -36.8 | 175 | -68.2 | -32.4 | 0 | 0 | 0 | 111.9 | E262 Q263 D269 Y270 | E262-N266 PolarHBondContact O-N 3.31Å; E262-N266 PolarHBondContact O-ND2 2.9Å; Q263-N266 PolarHBondContact O-N 2.94Å; N266-D269 PolarHBondContact O-N 3.42Å; N266-Y270 WeakPolarHBondContact O-CD2 3.46Å; N266-Y270 WeakPolarHBondContact O-CE2 3.34Å |
| 267 | V | 92.5 | Very high | 90.9 | Very high | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.024 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 173 | -179.6 | 0 | 0 | 0 | 0 | 110.6 | L247 Q254 L255 Q263 V264 K265 D269 Y270 Y271 | L247-V267 HydrophobicContact CD2-CG1 4.39Å; Q254-V267 HydrophobicContact CB-CG1 4.44Å; Q254-V267 HydrophobicContact CB-CG2 3.49Å; Q254-V267 VanDerWaalsContact CB-CG2 3.49Å; L255-V267 HydrophobicContact CD2-CB 4.03Å; L255-V267 HydrophobicContact CD2-CG1 4.17Å; L255-V267 HydrophobicContact CD2-CG2 4.11Å; L255-V267 HydrophobicContact CG-CB 4.46Å; L255-V267 HydrophobicContact CG-CG1 4.09Å; L255-V267 HydrophobicContact CG-CG2 4.49Å; Q263-V267 WeakPolarHBondContact O-CG2 3.46Å; Q263-V267 PolarHBondContact O-N 3.45Å; Q263-V267 VanDerWaalsContact O-N 3.1Å; V264-V267 WeakPolarHBondContact O-CB 3.44Å; V264-V267 PolarHBondContact O-N 3.36Å; K265-V267 VanDerWaalsContact C-N 3.26Å; K265-V267 PolarHBondContact O-N 2.88Å; V267-D269 VanDerWaalsContact C-N 3.27Å; V267-D269 PolarHBondContact O-N 3.15Å; V267-Y270 PolarHBondContact O-N 3.12Å; V267-Y271 HydrophobicContact CG1-CE2 4.48Å; V267-Y271 WeakPolarHBondContact O-CD2 3.46Å |
| 268 | A | 91.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.6 | -33.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | F221 V264 K265 Y270 Y271 K275 F278 | F221-A268 HydrophobicContact CE1-CB 4.07Å; F221-A268 HydrophobicContact CZ-CB 3.93Å; V264-A268 PolarHBondContact O-N 3.45Å; V264-A268 VanDerWaalsContact O-N 3.08Å; K265-A268 CarbonylContact O-C 3.52Å; K265-A268 WeakPolarHBondContact O-CA 3.29Å; K265-A268 WeakPolarHBondContact O-CB 3.05Å; K265-A268 PolarHBondContact O-N 3.3Å; A268-Y270 PolarHBondContact O-N 3.39Å; A268-Y271 CarbonylContact O-C 3.57Å; A268-Y271 PolarHBondContact O-N 2.94Å; A268-K275 PolarHBondContact O-N 3.37Å; A268-F278 HydrophobicContact CB-CB 4.46Å; A268-F278 HydrophobicContact CB-CD2 3.35Å; A268-F278 HydrophobicContact CB-CE2 3.55Å; A268-F278 HydrophobicContact CB-CG 3.87Å; A268-F278 HydrophobicContact CB-CZ 4.23Å |
| 269 | D | 90.9 | Very high | 90.4 | Very high | 57 Ų | 57 | 64.7 Ų | 64.7 | 31% | 0.305 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.6 | -25.3 | 180 | -79.8 | -14.6 | 0 | 0 | 0 | 113.9 | K265 N266 V267 Y271 | K265-D269 PolarHBondContact O-N 3.41Å; N266-D269 PolarHBondContact O-N 3.42Å; V267-D269 VanDerWaalsContact C-N 3.27Å; V267-D269 PolarHBondContact O-N 3.15Å; D269-Y271 PolarHBondContact O-N 3.44Å |
| 270 | Y | 90.5 | Very high | 89.8 | Confident | 164 Ų | 164 | 61 Ų | 61 | 64% | 0.643 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -17.6 | 173.9 | -67.4 | -69.2 | 0 | 0 | 0 | 113.2 | N266 V267 A268 | N266-Y270 WeakPolarHBondContact O-CD2 3.46Å; N266-Y270 WeakPolarHBondContact O-CE2 3.34Å; V267-Y270 PolarHBondContact O-N 3.12Å; A268-Y270 PolarHBondContact O-N 3.39Å |
| 271 | Y | 91.3 | Very high | 89.2 | Confident | 52 Ų | 52 | 58.8 Ų | 58.8 | 20% | 0.204 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -115.5 | 109.1 | -176.4 | -62.6 | -91.4 | 0 | 0 | 0 | 109.3 | R246 L247 G251 V267 A268 D269 E273 Y274 K275 | R246-Y271 VanDerWaalsContact O-CE1 3.32Å; R246-Y271 WeakPolarHBondContact O-CE1 3.32Å; L247-Y271 HydrophobicContact CD2-CD2 3.67Å; L247-Y271 HydrophobicContact CD2-CE1 4.31Å; L247-Y271 HydrophobicContact CD2-CE2 3.43Å; L247-Y271 VanDerWaalsContact CD2-CE2 3.43Å; L247-Y271 HydrophobicContact CD2-CG 4.23Å; G251-Y271 PolarHBondContact N-OH 3.46Å; V267-Y271 HydrophobicContact CG1-CE2 4.48Å; V267-Y271 WeakPolarHBondContact O-CD2 3.46Å; A268-Y271 CarbonylContact O-C 3.57Å; A268-Y271 PolarHBondContact O-N 2.94Å; D269-Y271 PolarHBondContact O-N 3.44Å; Y271-E273 PolarHBondContact O-N 3.38Å; Y271-Y274 HydrophobicContact CD2-CD2 4.46Å; Y271-Y274 AromaticContact CG-CD2 3.96Å; Y271-Y274 HydrophobicContact CG-CD2 3.96Å; Y271-Y274 HydrophobicContact CG-CE2 4.47Å; Y271-Y274 PolarHBondContact O-N 3.38Å; Y271-K275 WeakPolarHBondContact O-CB 3.43Å; Y271-K275 PolarHBondContact O-N 3.29Å |
| 272 | P | 89.4 | Confident | 88.3 | Confident | 102 Ų | 102 | 55.9 Ų | 55.9 | 66% | 0.662 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -54.6 | -34.5 | -171.4 | -29 | 34.8 | 0 | 0 | 0 | 114.9 | L276 | P272-L276 WeakPolarHBondContact O-CG 3.29Å; P272-L276 PolarHBondContact O-N 2.85Å |
| 273 | E | 87.4 | Confident | 87.1 | Confident | 78 Ų | 78 | 56.4 Ų | 56.4 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.4 | -45.1 | 178.4 | -67.6 | 176 | -176.4 | 0 | 0 | 111.9 | R246 Y271 L277 | R246-E273 IonicContact CZ-OE1 3.57Å; R246-E273 IonicContact CZ-OE2 3.51Å; R246-E273 IonicContact NH1-OE1 3.71Å; R246-E273 PolarHBondContact NH1-OE1 3.46Å; R246-E273 IonicContact NH1-OE2 3.07Å; R246-E273 PolarHBondContact NH1-OE2 3.16Å; Y271-E273 PolarHBondContact O-N 3.38Å; E273-L277 WeakPolarHBondContact O-CG 3.38Å |
| 274 | Y | 90.9 | Very high | 85.7 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -74.5 | -36.5 | 179.9 | -58.5 | -46.2 | 0 | 0 | 0 | 112.1 | F214 D217 F221 L247 Y271 L276 L277 F278 | F214-Y274 AromaticContact CD2-CE1 3.88Å; F214-Y274 HydrophobicContact CD2-CE1 3.88Å; F214-Y274 HydrophobicContact CE2-CE1 4.1Å; D217-Y274 HydrophobicContact CB-CE1 4.31Å; D217-Y274 HydrophobicContact CB-CE2 4.07Å; D217-Y274 WeakPolarHBondContact CB-OH 3.44Å; D217-Y274 VanDerWaalsContact CG-OH 3.27Å; D217-Y274 WeakPolarHBondContact OD2-CE2 3.45Å; D217-Y274 VanDerWaalsContact OD2-CZ 3.31Å; D217-Y274 PolarHBondContact OD2-OH 3.39Å; F221-Y274 HydrophobicContact CE2-CD1 4.04Å; F221-Y274 AromaticContact CE2-CD2 3.93Å; F221-Y274 HydrophobicContact CE2-CD2 3.93Å; F221-Y274 HydrophobicContact CE2-CE1 4.47Å; F221-Y274 HydrophobicContact CE2-CE2 4.37Å; F221-Y274 AromaticContact CE2-CG 3.79Å; F221-Y274 HydrophobicContact CE2-CG 3.79Å; F221-Y274 HydrophobicContact CZ-CD2 4.18Å; F221-Y274 HydrophobicContact CZ-CG 4.18Å; L247-Y274 HydrophobicContact CD2-CD2 4.13Å; L247-Y274 HydrophobicContact CD2-CE2 4.13Å; L247-Y274 HydrophobicContact CG-CE2 4.26Å; Y271-Y274 HydrophobicContact CD2-CD2 4.46Å; Y271-Y274 AromaticContact CG-CD2 3.96Å; Y271-Y274 HydrophobicContact CG-CD2 3.96Å; Y271-Y274 HydrophobicContact CG-CE2 4.47Å; Y271-Y274 PolarHBondContact O-N 3.38Å; Y274-L276 VanDerWaalsContact C-N 3.29Å; Y274-L276 PolarHBondContact O-N 2.96Å; Y274-L277 HydrophobicContact CD1-CD1 4.22Å; Y274-L277 WeakPolarHBondContact O-CB 3.49Å; Y274-L277 PolarHBondContact O-N 2.75Å; Y274-F278 WeakPolarHBondContact O-CD2 3.26Å; Y274-F278 PolarHBondContact O-N 3.2Å |
| 275 | K | 89.5 | Confident | 84 | Confident | 77 Ų | 77 | 65.1 Ų | 65.1 | 34% | 0.335 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -49.1 | -50.4 | 172.8 | 178.8 | 167.4 | -179.5 | 171.7 | 0 | 112.2 | A268 Y271 L277 F278 E279 | A268-K275 PolarHBondContact O-N 3.37Å; Y271-K275 WeakPolarHBondContact O-CB 3.43Å; Y271-K275 PolarHBondContact O-N 3.29Å; K275-L277 VanDerWaalsContact C-N 3.26Å; K275-L277 PolarHBondContact O-N 3.09Å; K275-F278 PolarHBondContact O-N 3.32Å; K275-E279 WeakPolarHBondContact CE-OE1 3.49Å; K275-E279 HydrophobicContact CG-CG 4.27Å; K275-E279 IonicContact NZ-OE1 2.7Å; K275-E279 WeakPolarHBondContact O-CB 3.37Å; K275-E279 WeakPolarHBondContact O-CG 3.35Å; K275-E279 PolarHBondContact O-N 3.3Å |
| 276 | L | 88.9 | Confident | 82.7 | Confident | 119 Ų | 119 | 64.5 Ų | 64.5 | 62% | 0.623 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.1 | -32.1 | 180 | -69.2 | 171.9 | 0 | 0 | 0 | 112.9 | P272 Y274 G280 | P272-L276 WeakPolarHBondContact O-CG 3.29Å; P272-L276 PolarHBondContact O-N 2.85Å; Y274-L276 VanDerWaalsContact C-N 3.29Å; Y274-L276 PolarHBondContact O-N 2.96Å; L276-G280 PolarHBondContact O-N 3.35Å |
| 277 | L | 88.8 | Confident | 81.8 | Confident | 16 Ų | 16 | 64 Ų | 64 | 8% | 0.084 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -72 | -43.4 | 177.5 | -58.5 | 178.5 | 0 | 0 | 0 | 111.3 | F214 E273 Y274 K275 G280 A281 R293 F294 H297 | F214-L277 HydrophobicContact CE2-CD1 3.98Å; E273-L277 WeakPolarHBondContact O-CG 3.38Å; Y274-L277 HydrophobicContact CD1-CD1 4.22Å; Y274-L277 WeakPolarHBondContact O-CB 3.49Å; Y274-L277 PolarHBondContact O-N 2.75Å; K275-L277 VanDerWaalsContact C-N 3.26Å; K275-L277 PolarHBondContact O-N 3.09Å; L277-G280 PolarHBondContact O-N 2.95Å; L277-A281 PolarHBondContact O-N 2.79Å; L277-A281 VanDerWaalsContact O-N 3.13Å; L277-R293 HydrophobicContact CB-CB 4.38Å; L277-R293 HydrophobicContact CD2-CB 4.24Å; L277-F294 HydrophobicContact CD1-CD1 3.79Å; L277-F294 HydrophobicContact CD1-CE1 3.93Å; L277-H297 HydrophobicContact CD1-CB 4.09Å; L277-H297 HydrophobicContact CD2-CB 3.91Å |
| 278 | F | 88.2 | Confident | 81.2 | Confident | 4 Ų | 4 | 67.8 Ų | 67.8 | 2% | 0.018 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -71.6 | -37.8 | 178.1 | -85.1 | -97.3 | 0 | 0 | 0 | 112.9 | F221 Y261 V264 K265 A268 Y274 K275 G280 A281 L290 F294 | F221-F278 HydrophobicContact CD1-CE2 4.03Å; F221-F278 AromaticContact CD1-CZ 3.76Å; F221-F278 HydrophobicContact CD1-CZ 3.76Å; F221-F278 HydrophobicContact CD2-CE2 4.32Å; F221-F278 AromaticContact CE1-CE2 3.95Å; F221-F278 HydrophobicContact CE1-CE2 3.95Å; F221-F278 AromaticContact CE1-CZ 3.99Å; F221-F278 HydrophobicContact CE1-CZ 3.99Å; F221-F278 HydrophobicContact CE2-CE2 4.25Å; F221-F278 HydrophobicContact CG-CE2 4.23Å; F221-F278 HydrophobicContact CG-CZ 4.13Å; F221-F278 HydrophobicContact CZ-CE2 4.06Å; Y261-F278 HydrophobicContact CE2-CE1 4.34Å; V264-F278 HydrophobicContact CG1-CE1 4.09Å; V264-F278 HydrophobicContact CG1-CZ 3.97Å; K265-F278 HydrophobicContact CB-CD1 4.18Å; K265-F278 HydrophobicContact CG-CB 4.28Å; K265-F278 HydrophobicContact CG-CD1 4.22Å; A268-F278 HydrophobicContact CB-CB 4.46Å; A268-F278 HydrophobicContact CB-CD2 3.35Å; A268-F278 HydrophobicContact CB-CE2 3.55Å; A268-F278 HydrophobicContact CB-CG 3.87Å; A268-F278 HydrophobicContact CB-CZ 4.23Å; Y274-F278 WeakPolarHBondContact O-CD2 3.26Å; Y274-F278 PolarHBondContact O-N 3.2Å; K275-F278 PolarHBondContact O-N 3.32Å; F278-G280 VanDerWaalsContact C-N 3.3Å; F278-A281 PolarHBondContact O-N 3.42Å; F278-L290 HydrophobicContact CD1-CD1 4.23Å; F278-L290 HydrophobicContact CD1-CD2 4.3Å; F278-L290 HydrophobicContact CD2-CD1 4.01Å; F278-L290 HydrophobicContact CE1-CD1 4.29Å; F278-L290 HydrophobicContact CE1-CD2 3.67Å; F278-L290 HydrophobicContact CE2-CD1 4.08Å; F278-L290 HydrophobicContact CE2-CD2 4.34Å; F278-L290 HydrophobicContact CG-CD1 4.1Å; F278-L290 HydrophobicContact CZ-CD1 4.23Å; F278-L290 HydrophobicContact CZ-CD2 3.7Å; F278-F294 HydrophobicContact CE2-CZ 4.21Å |
| 279 | E | 85.3 | Confident | 80.9 | Confident | 108 Ų | 108 | 71 Ų | 71 | 51% | 0.505 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.6 | -33.1 | 173.1 | -73.3 | -179.1 | 159.3 | 0 | 0 | 112 | K275 A281 | K275-E279 WeakPolarHBondContact CE-OE1 3.49Å; K275-E279 HydrophobicContact CG-CG 4.27Å; K275-E279 IonicContact NZ-OE1 2.7Å; K275-E279 WeakPolarHBondContact O-CB 3.37Å; K275-E279 WeakPolarHBondContact O-CG 3.35Å; K275-E279 PolarHBondContact O-N 3.3Å; E279-A281 VanDerWaalsContact C-N 3.33Å |
| 280 | G | 77.9 | Confident | 80.8 | Confident | 20 Ų | 20 | 69.4 Ų | 69.4 | 21% | 0.206 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -78.2 | -14.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L276 L277 F278 R293 | L276-G280 PolarHBondContact O-N 3.35Å; L277-G280 PolarHBondContact O-N 2.95Å; F278-G280 VanDerWaalsContact C-N 3.3Å; G280-R293 VanDerWaalsContact O-CZ 3.28Å; G280-R293 PolarHBondContact O-NE 3Å; G280-R293 PolarHBondContact O-NH2 2.88Å |
| 281 | A | 79 | Confident | 80.6 | Confident | 19 Ų | 19 | 67.1 Ų | 67.1 | 16% | 0.157 | 39% | 0.388 | C | S | . | . | trans | -83.9 | 114.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | L277 F278 E279 K288 L290 R293 | L277-A281 PolarHBondContact O-N 2.79Å; L277-A281 VanDerWaalsContact O-N 3.13Å; F278-A281 PolarHBondContact O-N 3.42Å; E279-A281 VanDerWaalsContact C-N 3.33Å; A281-K288 WeakPolarHBondContact CA-O 3.4Å; A281-L290 HydrophobicContact CB-CB 4.01Å; A281-L290 HydrophobicContact CB-CD1 4.23Å; A281-R293 HydrophobicContact CB-CG 4.47Å | ||
| 282 | G | 72.7 | Confident | 80.5 | Confident | 29 Ų | 29 | 67.2 Ų | 67.2 | 30% | 0.299 | 39% | 0.392 | S | S | . | . | trans | -98.5 | 157.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | D287 K288 | G282-D287 VanDerWaalsContact CA-CB 3.42Å; G282-D287 VanDerWaalsContact CA-OD2 3.31Å; G282-D287 WeakPolarHBondContact CA-OD2 3.37Å; G282-K288 PolarHBondContact N-O 3Å | ||
| 283 | S | 66.3 | Low | 80.5 | Confident | 125 Ų | 125 | 65.7 Ų | 65.7 | 87% | 0.874 | 37% | 0.373 | S | S | * | . | trans | -97 | -3.9 | 178.5 | -51.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 284 | N | 62.2 | Low | 80.8 | Confident | 111 Ų | 111 | 62.1 Ų | 62.1 | 59% | 0.594 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -83.7 | 149.5 | -177.5 | -55.4 | -64.8 | 0 | 0 | 0 | 111.6 | G286 D287 | N284-G286 PolarHBondContact O-N 3.28Å; N284-D287 WeakPolarHBondContact CB-OD2 3.4Å; N284-D287 PolarHBondContact N-OD2 3.2Å; N284-D287 PolarHBondContact ND2-OD2 3.24Å; N284-D287 WeakPolarHBondContact O-CB 3.27Å; N284-D287 PolarHBondContact O-N 2.98Å |
| 285 | P | 58.4 | Low | 80.8 | Confident | 136 Ų | 136 | 63.5 Ų | 63.5 | 88% | 0.883 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 101.9 | 171.9 | -19.8 | 31.4 | 0 | 0 | 0 | 110.9 | ||
| 286 | G | 63 | Low | 80.9 | Confident | 50 Ų | 50 | 62 Ų | 62 | 52% | 0.515 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 125 | -18.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N284 | N284-G286 PolarHBondContact O-N 3.28Š|
| 287 | D | 73.2 | Confident | 81.1 | Confident | 69 Ų | 69 | 57.5 Ų | 57.5 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -70.8 | 149.4 | 170.7 | -65.4 | -22.9 | 0 | 0 | 0 | 110.2 | G282 N284 T289 | G282-D287 VanDerWaalsContact CA-CB 3.42Å; G282-D287 VanDerWaalsContact CA-OD2 3.31Å; G282-D287 WeakPolarHBondContact CA-OD2 3.37Å; N284-D287 WeakPolarHBondContact CB-OD2 3.4Å; N284-D287 PolarHBondContact N-OD2 3.2Å; N284-D287 PolarHBondContact ND2-OD2 3.24Å; N284-D287 WeakPolarHBondContact O-CB 3.27Å; N284-D287 PolarHBondContact O-N 2.98Å; D287-T289 PolarHBondContact O-N 2.97Å |
| 288 | K | 79.4 | Confident | 81.3 | Confident | 84 Ų | 84 | 57.7 Ų | 57.7 | 37% | 0.365 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 133.1 | 173.6 | -68.9 | -173.4 | 177.4 | -178.3 | 0 | 109.3 | A281 G282 D292 E296 | A281-K288 WeakPolarHBondContact CA-O 3.4Å; G282-K288 PolarHBondContact N-O 3Å; K288-D292 HydrophobicContact CB-CB 4.13Å; K288-E296 WeakPolarHBondContact CD-OE1 3.46Å; K288-E296 WeakPolarHBondContact CE-OE1 3.38Å; K288-E296 IonicContact NZ-OE1 3.19Å; K288-E296 PolarHBondContact NZ-OE1 3.15Å |
| 289 | T | 86.1 | Confident | 81.6 | Confident | 69 Ų | 69 | 58 Ų | 58 | 42% | 0.423 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 162.3 | 175.5 | 67 | 0 | 0 | 0 | 0 | 110.1 | D287 E291 D292 R293 | D287-T289 PolarHBondContact O-N 2.97Å; T289-E291 PolarHBondContact O-N 2.75Å; T289-D292 WeakPolarHBondContact CB-OD2 3.46Å; T289-D292 PolarHBondContact N-OD2 3.37Å; T289-D292 WeakPolarHBondContact O-CB 3.38Å; T289-D292 PolarHBondContact O-N 3.13Å; T289-D292 PolarHBondContact OG1-N 3.01Å; T289-D292 VanDerWaalsContact OG1-N 3.1Å; T289-D292 PolarHBondContact OG1-OD2 2.7Å; T289-R293 WeakPolarHBondContact O-CG 3.3Å; T289-R293 PolarHBondContact O-N 3.16Å; T289-R293 VanDerWaalsContact O-N 3.1Å |
| 290 | L | 88.1 | Confident | 82 | Confident | 22 Ų | 22 | 58.6 Ų | 58.6 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.7 | -34.9 | 173 | -180 | 63.7 | 0 | 0 | 0 | 111.5 | I225 Y261 F278 A281 R293 F294 | I225-L290 HydrophobicContact CD1-CD2 3.78Å; Y261-L290 HydrophobicContact CE2-CD2 4.47Å; F278-L290 HydrophobicContact CD1-CD1 4.23Å; F278-L290 HydrophobicContact CD1-CD2 4.3Å; F278-L290 HydrophobicContact CD2-CD1 4.01Å; F278-L290 HydrophobicContact CE1-CD1 4.29Å; F278-L290 HydrophobicContact CE1-CD2 3.67Å; F278-L290 HydrophobicContact CE2-CD1 4.08Å; F278-L290 HydrophobicContact CE2-CD2 4.34Å; F278-L290 HydrophobicContact CG-CD1 4.1Å; F278-L290 HydrophobicContact CZ-CD1 4.23Å; F278-L290 HydrophobicContact CZ-CD2 3.7Å; A281-L290 HydrophobicContact CB-CB 4.01Å; A281-L290 HydrophobicContact CB-CD1 4.23Å; L290-R293 WeakPolarHBondContact O-CB 3.44Å; L290-R293 PolarHBondContact O-N 3.12Å; L290-F294 HydrophobicContact CD1-CD2 4.49Å; L290-F294 HydrophobicContact CD1-CE1 4.48Å; L290-F294 HydrophobicContact CD1-CE2 3.98Å; L290-F294 HydrophobicContact CD1-CZ 3.96Å; L290-F294 HydrophobicContact CD2-CE2 3.81Å; L290-F294 HydrophobicContact CD2-CZ 4.2Å; L290-F294 HydrophobicContact CG-CD2 4.01Å; L290-F294 HydrophobicContact CG-CE2 3.53Å; L290-F294 HydrophobicContact CG-CZ 4.01Å; L290-F294 WeakPolarHBondContact O-CD2 3.17Å; L290-F294 PolarHBondContact O-N 3.4Å |
| 291 | E | 87.6 | Confident | 82.7 | Confident | 117 Ų | 117 | 59.2 Ų | 59.2 | 55% | 0.547 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.9 | -45 | 176.4 | -166.9 | 178.1 | -179.7 | 0 | 0 | 111.7 | T289 R293 F294 F295 | T289-E291 PolarHBondContact O-N 2.75Å; E291-R293 VanDerWaalsContact C-N 3.25Å; E291-R293 PolarHBondContact O-N 3.19Å; E291-F294 PolarHBondContact O-N 2.9Å; E291-F294 VanDerWaalsContact O-N 3.09Å; E291-F295 HydrophobicContact CG-CD2 4.1Å; E291-F295 HydrophobicContact CG-CE2 3.51Å; E291-F295 HydrophobicContact CG-CZ 3.97Å; E291-F295 WeakPolarHBondContact O-CD2 3.32Å; E291-F295 PolarHBondContact O-N 3.25Å |
| 292 | D | 87.9 | Confident | 83.5 | Confident | 53 Ų | 53 | 58.3 Ų | 58.3 | 28% | 0.283 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.4 | -41.3 | 173.7 | -60.8 | -43 | 0 | 0 | 0 | 111.2 | K288 T289 F295 E296 | K288-D292 HydrophobicContact CB-CB 4.13Å; T289-D292 WeakPolarHBondContact CB-OD2 3.46Å; T289-D292 PolarHBondContact N-OD2 3.37Å; T289-D292 WeakPolarHBondContact O-CB 3.38Å; T289-D292 PolarHBondContact O-N 3.13Å; T289-D292 PolarHBondContact OG1-N 3.01Å; T289-D292 VanDerWaalsContact OG1-N 3.1Å; T289-D292 PolarHBondContact OG1-OD2 2.7Å; D292-F295 PolarHBondContact O-N 3.3Å; D292-E296 WeakPolarHBondContact O-CG 3.41Å; D292-E296 PolarHBondContact O-N 2.92Å |
| 293 | R | 90 | Very high | 84.5 | Confident | 71 Ų | 71 | 60.4 Ų | 60.4 | 27% | 0.268 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 176.6 | -66.4 | -56.4 | -163.9 | 159.5 | 8.5 | 112.3 | L277 G280 A281 T289 L290 E291 E296 H297 | L277-R293 HydrophobicContact CB-CB 4.38Å; L277-R293 HydrophobicContact CD2-CB 4.24Å; G280-R293 VanDerWaalsContact O-CZ 3.28Å; G280-R293 PolarHBondContact O-NE 3Å; G280-R293 PolarHBondContact O-NH2 2.88Å; A281-R293 HydrophobicContact CB-CG 4.47Å; T289-R293 WeakPolarHBondContact O-CG 3.3Å; T289-R293 PolarHBondContact O-N 3.16Å; T289-R293 VanDerWaalsContact O-N 3.1Å; L290-R293 WeakPolarHBondContact O-CB 3.44Å; L290-R293 PolarHBondContact O-N 3.12Å; E291-R293 VanDerWaalsContact C-N 3.25Å; E291-R293 PolarHBondContact O-N 3.19Å; R293-E296 WeakPolarHBondContact CD-OE2 3.47Å; R293-E296 IonicContact CZ-OE2 2.74Å; R293-E296 IonicContact NE-OE2 2.73Å; R293-E296 IonicContact NH1-OE2 2.65Å; R293-E296 PolarHBondContact NH1-OE2 3.33Å; R293-E296 VanDerWaalsContact NH1-OE2 3.09Å; R293-E296 PolarHBondContact O-N 3.48Å; R293-H297 WeakPolarHBondContact O-CB 3.49Å; R293-H297 PolarHBondContact O-N 3.47Å |
| 294 | F | 92.8 | Very high | 85.8 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 1% | 0.013 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 174.1 | -73.6 | -45.4 | 0 | 0 | 0 | 111.7 | F214 R218 F221 L277 F278 L290 E291 H297 E298 | F214-F294 HydrophobicContact CE2-CD1 4.07Å; F214-F294 HydrophobicContact CZ-CB 4.24Å; F214-F294 AromaticContact CZ-CD1 3.78Å; F214-F294 HydrophobicContact CZ-CD1 3.78Å; F214-F294 HydrophobicContact CZ-CG 4.44Å; R218-F294 HydrophobicContact CG-CB 4.27Å; R218-F294 HydrophobicContact CG-CD1 4.3Å; R218-F294 HydrophobicContact CG-CD2 3.92Å; R218-F294 HydrophobicContact CG-CE2 4.27Å; R218-F294 HydrophobicContact CG-CG 3.94Å; F221-F294 HydrophobicContact CB-CZ 4.19Å; F221-F294 HydrophobicContact CD2-CE1 4.45Å; F221-F294 HydrophobicContact CD2-CZ 4.02Å; F221-F294 HydrophobicContact CG-CZ 4.35Å; L277-F294 HydrophobicContact CD1-CD1 3.79Å; L277-F294 HydrophobicContact CD1-CE1 3.93Å; F278-F294 HydrophobicContact CE2-CZ 4.21Å; L290-F294 HydrophobicContact CD1-CD2 4.49Å; L290-F294 HydrophobicContact CD1-CE1 4.48Å; L290-F294 HydrophobicContact CD1-CE2 3.98Å; L290-F294 HydrophobicContact CD1-CZ 3.96Å; L290-F294 HydrophobicContact CD2-CE2 3.81Å; L290-F294 HydrophobicContact CD2-CZ 4.2Å; L290-F294 HydrophobicContact CG-CD2 4.01Å; L290-F294 HydrophobicContact CG-CE2 3.53Å; L290-F294 HydrophobicContact CG-CZ 4.01Å; L290-F294 WeakPolarHBondContact O-CD2 3.17Å; L290-F294 PolarHBondContact O-N 3.4Å; E291-F294 PolarHBondContact O-N 2.9Å; E291-F294 VanDerWaalsContact O-N 3.09Å; F294-H297 PolarHBondContact O-N 3Å; F294-E298 WeakPolarHBondContact O-CB 3.22Å; F294-E298 PolarHBondContact O-N 2.88Å |
| 295 | F | 91.6 | Very high | 87.2 | Confident | 31 Ų | 31 | 53.4 Ų | 53.4 | 14% | 0.136 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 175.3 | -69.1 | -44.9 | 0 | 0 | 0 | 112.5 | E291 D292 H297 E298 V299 I348 | E291-F295 HydrophobicContact CG-CD2 4.1Å; E291-F295 HydrophobicContact CG-CE2 3.51Å; E291-F295 HydrophobicContact CG-CZ 3.97Å; E291-F295 WeakPolarHBondContact O-CD2 3.32Å; E291-F295 PolarHBondContact O-N 3.25Å; D292-F295 PolarHBondContact O-N 3.3Å; F295-H297 VanDerWaalsContact C-N 3.29Å; F295-H297 PolarHBondContact O-N 3.04Å; F295-E298 PolarHBondContact O-N 3.38Å; F295-V299 WeakPolarHBondContact O-CB 3.3Å; F295-V299 VanDerWaalsContact O-CG2 3.29Å; F295-V299 WeakPolarHBondContact O-CG2 3.43Å; F295-V299 PolarHBondContact O-N 2.96Å; F295-I348 HydrophobicContact CB-CD1 3.37Å; F295-I348 HydrophobicContact CD2-CD1 4.46Å; F295-I348 HydrophobicContact CG-CD1 4.36Å |
| 296 | E | 91.8 | Very high | 88.9 | Confident | 47 Ų | 47 | 47.9 Ų | 47.9 | 22% | 0.22 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.7 | -43.4 | 173.3 | -76.5 | -177.7 | 161.5 | 0 | 0 | 112 | K288 D292 R293 K300 I348 | K288-E296 WeakPolarHBondContact CD-OE1 3.46Å; K288-E296 WeakPolarHBondContact CE-OE1 3.38Å; K288-E296 IonicContact NZ-OE1 3.19Å; K288-E296 PolarHBondContact NZ-OE1 3.15Å; D292-E296 WeakPolarHBondContact O-CG 3.41Å; D292-E296 PolarHBondContact O-N 2.92Å; R293-E296 WeakPolarHBondContact CD-OE2 3.47Å; R293-E296 IonicContact CZ-OE2 2.74Å; R293-E296 IonicContact NE-OE2 2.73Å; R293-E296 IonicContact NH1-OE2 2.65Å; R293-E296 PolarHBondContact NH1-OE2 3.33Å; R293-E296 VanDerWaalsContact NH1-OE2 3.09Å; R293-E296 PolarHBondContact O-N 3.48Å; E296-K300 WeakPolarHBondContact O-CB 3.37Å; E296-K300 PolarHBondContact O-N 3.26Å; E296-I348 HydrophobicContact CG-CD1 4.35Å; E296-I348 HydrophobicContact CG-CG1 4.42Å; E296-I348 HydrophobicContact CG-CG2 4.02Å |
| 297 | H | 92.6 | Very high | 90.3 | Very high | 23 Ų | 23 | 51.7 Ų | 51.7 | 11% | 0.106 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 178.7 | -164.5 | 88.5 | 0 | 0 | 0 | 111.9 | F214 L277 R293 F294 F295 V299 K300 L301 | F214-H297 AromaticContact CD2-CD2 3.46Å; F214-H297 VanDerWaalsContact CD2-CD2 3.46Å; F214-H297 WeakPolarHBondContact CD2-CD2 3.5Å; F214-H297 HydrophobicContact CE2-CB 4.05Å; F214-H297 AromaticContact CE2-CD2 3.25Å; F214-H297 WeakPolarHBondContact CE2-CD2 3.29Å; F214-H297 AromaticContact CE2-CG 3.82Å; F214-H297 HydrophobicContact CZ-CB 3.82Å; F214-H297 AromaticContact CZ-CD2 3.69Å; L277-H297 HydrophobicContact CD1-CB 4.09Å; L277-H297 HydrophobicContact CD2-CB 3.91Å; R293-H297 WeakPolarHBondContact O-CB 3.49Å; R293-H297 PolarHBondContact O-N 3.47Å; F294-H297 PolarHBondContact O-N 3Å; F295-H297 VanDerWaalsContact C-N 3.29Å; F295-H297 PolarHBondContact O-N 3.04Å; H297-V299 PolarHBondContact O-N 3.4Å; H297-K300 WeakPolarHBondContact O-CB 3.45Å; H297-K300 PolarHBondContact O-N 3.34Å; H297-K300 VanDerWaalsContact O-N 3.15Å; H297-L301 WeakPolarHBondContact O-CG 3.41Å; H297-L301 PolarHBondContact O-N 3.14Å |
| 298 | E | 93.7 | Very high | 91 | Very high | 20 Ų | 20 | 52.1 Ų | 52.1 | 9% | 0.093 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.1 | -48 | 173.6 | -179.4 | 175.6 | -174.2 | 0 | 0 | 111 | F214 R218 F294 F295 K300 L301 N302 | F214-E298 HydrophobicContact CE1-CB 3.99Å; R218-E298 IonicContact CZ-OE2 2.63Å; R218-E298 IonicContact NH1-OE2 2.66Å; R218-E298 PolarHBondContact NH1-OE2 3.28Å; R218-E298 IonicContact NH2-OE2 2.56Å; F294-E298 WeakPolarHBondContact O-CB 3.22Å; F294-E298 PolarHBondContact O-N 2.88Å; F295-E298 PolarHBondContact O-N 3.38Å; E298-K300 VanDerWaalsContact C-N 3.31Å; E298-K300 PolarHBondContact O-N 3.4Å; E298-L301 PolarHBondContact O-N 3.07Å; E298-N302 WeakPolarHBondContact CG-ND2 3.45Å; E298-N302 WeakPolarHBondContact O-CB 3.32Å; E298-N302 PolarHBondContact O-N 2.95Å; E298-N302 PolarHBondContact O-ND2 2.88Å |
| 299 | V | 93.8 | Very high | 91.5 | Very high | 10 Ų | 10 | 53.6 Ų | 53.6 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.6 | -44.6 | 175.5 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | F295 H297 L301 N302 K303 L321 Q324 I348 I350 | F295-V299 WeakPolarHBondContact O-CB 3.3Å; F295-V299 VanDerWaalsContact O-CG2 3.29Å; F295-V299 WeakPolarHBondContact O-CG2 3.43Å; F295-V299 PolarHBondContact O-N 2.96Å; H297-V299 PolarHBondContact O-N 3.4Å; V299-L301 PolarHBondContact O-N 3.41Å; V299-N302 PolarHBondContact O-N 3.06Å; V299-K303 HydrophobicContact CG1-CD 3.94Å; V299-K303 HydrophobicContact CG1-CG 4.31Å; V299-K303 WeakPolarHBondContact O-CB 3.41Å; V299-K303 WeakPolarHBondContact O-CG 3.25Å; V299-K303 PolarHBondContact O-N 3.5Å; V299-L321 HydrophobicContact CB-CD2 4.35Å; V299-L321 HydrophobicContact CG1-CD2 3.96Å; V299-L321 HydrophobicContact CG2-CD2 4.39Å; V299-Q324 HydrophobicContact CG2-CB 4.2Å; V299-Q324 HydrophobicContact CG2-CG 3.76Å; V299-I348 HydrophobicContact CG2-CG2 4.1Å; V299-I350 HydrophobicContact CG1-CB 4.49Å; V299-I350 HydrophobicContact CG1-CG1 4.35Å; V299-I350 HydrophobicContact CG1-CG2 4.29Å |
| 300 | K | 93.7 | Very high | 91.8 | Very high | 122 Ų | 122 | 53.5 Ų | 53.5 | 53% | 0.53 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 177 | -179 | -175.2 | 174.4 | -172.7 | 0 | 111.8 | E296 H297 E298 K303 L304 | E296-K300 WeakPolarHBondContact O-CB 3.37Å; E296-K300 PolarHBondContact O-N 3.26Å; H297-K300 WeakPolarHBondContact O-CB 3.45Å; H297-K300 PolarHBondContact O-N 3.34Å; H297-K300 VanDerWaalsContact O-N 3.15Å; E298-K300 VanDerWaalsContact C-N 3.31Å; E298-K300 PolarHBondContact O-N 3.4Å; K300-K303 PolarHBondContact O-N 2.68Å; K300-L304 HydrophobicContact CG-CD1 4.4Å; K300-L304 VanDerWaalsContact O-CG 3.32Å; K300-L304 WeakPolarHBondContact O-CG 3.17Å; K300-L304 PolarHBondContact O-N 3.15Å |
| 301 | L | 93.7 | Very high | 92 | Very high | 32 Ų | 32 | 52.4 Ų | 52.4 | 17% | 0.168 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.8 | -45.8 | 179.5 | -67.5 | 177.4 | 0 | 0 | 0 | 111.6 | I211 F214 H297 E298 V299 K303 L304 A305 | I211-L301 HydrophobicContact CG1-CB 4.08Å; F214-L301 HydrophobicContact CB-CD1 3.63Å; F214-L301 HydrophobicContact CD1-CD1 4.01Å; F214-L301 HydrophobicContact CD2-CD1 4.24Å; F214-L301 HydrophobicContact CG-CD1 3.68Å; H297-L301 WeakPolarHBondContact O-CG 3.41Å; H297-L301 PolarHBondContact O-N 3.14Å; E298-L301 PolarHBondContact O-N 3.07Å; V299-L301 PolarHBondContact O-N 3.41Å; L301-K303 VanDerWaalsContact C-N 3.32Å; L301-K303 PolarHBondContact O-N 3.09Å; L301-L304 PolarHBondContact O-N 2.93Å; L301-L304 VanDerWaalsContact O-N 3.15Å; L301-A305 PolarHBondContact O-N 3.36Å; L301-A305 VanDerWaalsContact O-N 3.14Å |
| 302 | N | 94.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.5 | -35.3 | 177.8 | -73 | -59 | 0 | 0 | 0 | 112.3 | E298 V299 A305 F306 A317 L321 | E298-N302 WeakPolarHBondContact CG-ND2 3.45Å; E298-N302 WeakPolarHBondContact O-CB 3.32Å; E298-N302 PolarHBondContact O-N 2.95Å; E298-N302 PolarHBondContact O-ND2 2.88Å; V299-N302 PolarHBondContact O-N 3.06Å; N302-A305 WeakPolarHBondContact O-CB 3.34Å; N302-A305 PolarHBondContact O-N 2.93Å; N302-F306 WeakPolarHBondContact O-CD2 3.48Å; N302-A317 HydrophobicContact CB-CB 3.88Å; N302-A317 VanDerWaalsContact O-CB 3.32Å; N302-A317 WeakPolarHBondContact O-CB 3.21Å; N302-A317 WeakPolarHBondContact OD1-CA 3.24Å; N302-L321 HydrophobicContact CB-CD1 4.43Å; N302-L321 HydrophobicContact CB-CD2 3.83Å; N302-L321 HydrophobicContact CB-CG 3.91Å |
| 303 | K | 93.5 | Very high | 92.6 | Very high | 72 Ų | 72 | 44.9 Ų | 44.9 | 31% | 0.313 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 171.9 | -73.8 | 172.8 | 74.8 | 169.2 | 0 | 112.2 | V299 K300 L301 A305 F306 L321 I350 F351 | V299-K303 HydrophobicContact CG1-CD 3.94Å; V299-K303 HydrophobicContact CG1-CG 4.31Å; V299-K303 WeakPolarHBondContact O-CB 3.41Å; V299-K303 WeakPolarHBondContact O-CG 3.25Å; V299-K303 PolarHBondContact O-N 3.5Å; K300-K303 PolarHBondContact O-N 2.68Å; L301-K303 VanDerWaalsContact C-N 3.32Å; L301-K303 PolarHBondContact O-N 3.09Å; K303-A305 PolarHBondContact O-N 3.15Å; K303-F306 PolarHBondContact O-N 3.45Å; K303-F306 VanDerWaalsContact O-N 3.17Å; K303-L321 HydrophobicContact CG-CD1 4.33Å; K303-L321 HydrophobicContact CG-CD2 4.36Å; K303-I350 WeakPolarHBondContact CD-O 3.5Å; K303-I350 WeakPolarHBondContact CE-O 3.28Å; K303-I350 HydrophobicContact CG-CG2 4.42Å; K303-I350 PolarHBondContact NZ-O 3.35Å; K303-F351 HydrophobicContact CD-CE1 4.47Å; K303-F351 HydrophobicContact CG-CE1 3.93Å; K303-F351 HydrophobicContact CG-CZ 4.26Å |
| 304 | L | 93.6 | Very high | 92.9 | Very high | 84 Ų | 84 | 41.5 Ų | 41.5 | 44% | 0.44 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.4 | -31.3 | -179.9 | -69.4 | 173.6 | 0 | 0 | 0 | 111.8 | K300 L301 F306 L307 | K300-L304 HydrophobicContact CG-CD1 4.4Å; K300-L304 VanDerWaalsContact O-CG 3.32Å; K300-L304 WeakPolarHBondContact O-CG 3.17Å; K300-L304 PolarHBondContact O-N 3.15Å; L301-L304 PolarHBondContact O-N 2.93Å; L301-L304 VanDerWaalsContact O-N 3.15Å; L304-F306 PolarHBondContact O-N 3.15Å; L304-F306 VanDerWaalsContact O-N 3.16Å; L304-L307 HydrophobicContact CD2-CD1 3.6Å; L304-L307 WeakPolarHBondContact O-CB 3.37Å; L304-L307 WeakPolarHBondContact O-CG 3.23Å; L304-L307 PolarHBondContact O-N 3.38Å |
| 305 | A | 93.1 | Very high | 93.1 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.6 | -32.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I211 L301 N302 K303 L307 H311 A317 | I211-A305 HydrophobicContact CD1-CB 4.31Å; L301-A305 PolarHBondContact O-N 3.36Å; L301-A305 VanDerWaalsContact O-N 3.14Å; N302-A305 WeakPolarHBondContact O-CB 3.34Å; N302-A305 PolarHBondContact O-N 2.93Å; K303-A305 PolarHBondContact O-N 3.15Å; A305-L307 VanDerWaalsContact C-N 3.27Å; A305-L307 PolarHBondContact O-N 3.35Å; A305-H311 PolarHBondContact O-CE1 3.11Å; A305-H311 PolarHBondContact O-NE2 3.19Å; A305-A317 HydrophobicContact CB-CB 3.82Å |
| 306 | F | 93.1 | Very high | 93.3 | Very high | 20 Ų | 20 | 40.2 Ų | 40.2 | 9% | 0.088 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -10.7 | 179.2 | -75.9 | -84.3 | 0 | 0 | 0 | 115.2 | R21 K24 N302 K303 L304 N308 V314 A317 F318 L321 | R21-F306 PolarHBondContact NH1-O 3.41Å; R21-F306 VanDerWaalsContact NH1-O 3.11Å; K24-F306 HydrophobicContact CB-CD1 4.44Å; K24-F306 HydrophobicContact CB-CE1 3.79Å; K24-F306 HydrophobicContact CB-CZ 4.05Å; K24-F306 HydrophobicContact CD-CD1 4.1Å; K24-F306 HydrophobicContact CD-CE1 4.28Å; K24-F306 HydrophobicContact CD-CG 4.41Å; K24-F306 HydrophobicContact CG-CD1 3.95Å; K24-F306 HydrophobicContact CG-CD2 4.44Å; K24-F306 HydrophobicContact CG-CE1 3.65Å; K24-F306 HydrophobicContact CG-CE2 4.18Å; K24-F306 HydrophobicContact CG-CG 4.33Å; K24-F306 HydrophobicContact CG-CZ 3.78Å; N302-F306 WeakPolarHBondContact O-CD2 3.48Å; K303-F306 PolarHBondContact O-N 3.45Å; K303-F306 VanDerWaalsContact O-N 3.17Å; L304-F306 PolarHBondContact O-N 3.15Å; L304-F306 VanDerWaalsContact O-N 3.16Å; F306-N308 VanDerWaalsContact C-N 3.32Å; F306-V314 HydrophobicContact CD1-CB 4.34Å; F306-V314 HydrophobicContact CD1-CG1 4.08Å; F306-V314 HydrophobicContact CE1-CB 4Å; F306-V314 HydrophobicContact CE1-CG1 4.25Å; F306-V314 HydrophobicContact CZ-CB 4.45Å; F306-A317 HydrophobicContact CD2-CB 4.22Å; F306-A317 HydrophobicContact CE2-CB 3.63Å; F306-A317 HydrophobicContact CZ-CB 4.32Å; F306-F318 HydrophobicContact CZ-CB 3.99Å; F306-L321 HydrophobicContact CD2-CD1 4.26Å; F306-L321 HydrophobicContact CE2-CD1 3.79Å |
| 307 | L | 91.9 | Very high | 93.4 | Very high | 130 Ų | 130 | 38 Ų | 38 | 68% | 0.681 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -28.8 | 178.7 | -64.1 | 178.9 | 0 | 0 | 0 | 112.5 | L304 A305 | L304-L307 HydrophobicContact CD2-CD1 3.6Å; L304-L307 WeakPolarHBondContact O-CB 3.37Å; L304-L307 WeakPolarHBondContact O-CG 3.23Å; L304-L307 PolarHBondContact O-N 3.38Å; A305-L307 VanDerWaalsContact C-N 3.27Å; A305-L307 PolarHBondContact O-N 3.35Å |
| 308 | N | 89.2 | Confident | 93.6 | Very high | 78 Ų | 78 | 37.1 Ų | 37.1 | 42% | 0.417 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -89.4 | 166.3 | 176.3 | -65.3 | -31 | 0 | 0 | 0 | 110.8 | R21 T203 F306 H311 | R21-N308 PolarHBondContact NH2-O 3.5Å; T203-N308 HydrophobicContact CG2-CB 3.67Å; F306-N308 VanDerWaalsContact C-N 3.32Å; N308-H311 PolarHBondContact O-NE2 3.35Å |
| 309 | Q | 90.3 | Very high | 93.6 | Very high | 116 Ų | 116 | 36.2 Ų | 36.2 | 54% | 0.542 | 18% | 0.175 | S | C | . | . | trans | -124.9 | 160.6 | 178.2 | -65.9 | -172.3 | -3.4 | 0 | 0 | 111.1 | ||||
| 310 | F | 91.5 | Very high | 93.7 | Very high | 66 Ų | 66 | 37.3 Ų | 37.3 | 29% | 0.289 | 18% | 0.179 | S | C | . | . | S | Bend | trans | 61.7 | 49.3 | 173.7 | -44.8 | -60.4 | 0 | 0 | 0 | 114 | E6 F9 E17 | E6-F310 HydrophobicContact CB-CB 4.12Å; E6-F310 HydrophobicContact CB-CD2 4.04Å; E6-F310 HydrophobicContact CB-CG 4.26Å; E6-F310 HydrophobicContact CG-CB 4.12Å; E6-F310 HydrophobicContact CG-CD2 4.3Å; F9-F310 HydrophobicContact CB-CB 4.07Å; F9-F310 HydrophobicContact CB-CD1 4.44Å; F9-F310 HydrophobicContact CD1-CB 4.05Å; F9-F310 AromaticContact CD1-CD1 3.86Å; F9-F310 HydrophobicContact CD1-CD1 3.86Å; F9-F310 HydrophobicContact CD1-CG 4.47Å; F9-F310 HydrophobicContact CD2-CB 4.23Å; F9-F310 VanDerWaalsContact CE2-C 3.44Å; F9-F310 HydrophobicContact CG-CB 3.84Å; F9-F310 HydrophobicContact CG-CD1 4.34Å; E17-F310 PolarHBondContact OE1-N 3Å; E17-F310 PolarHBondContact OE2-N 3.02Å |
| 311 | H | 93.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -147.8 | 160.6 | 177.6 | 69.1 | 105.7 | 0 | 0 | 0 | 112.1 | T203 T204 A305 N308 G313 V314 | T203-H311 HydrophobicContact CG2-CB 3.81Å; T204-H311 WeakPolarHBondContact OG1-CA 3.45Å; T204-H311 WeakPolarHBondContact OG1-CB 3.49Å; A305-H311 PolarHBondContact O-CE1 3.11Å; A305-H311 PolarHBondContact O-NE2 3.19Å; N308-H311 PolarHBondContact O-NE2 3.35Å; H311-G313 WeakPolarHBondContact ND1-CA 3.4Å; H311-G313 PolarHBondContact ND1-N 2.96Å; H311-G313 VanDerWaalsContact ND1-N 3.17Å; H311-V314 PolarHBondContact CE1-N 3.15Å; H311-V314 WeakPolarHBondContact NE2-CG1 3.46Å; H311-V314 WeakPolarHBondContact O-CG2 3.28Å |
| 312 | F | 94.1 | Very high | 93.7 | Very high | 12 Ų | 12 | 30.5 Ų | 30.5 | 5% | 0.053 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -13.4 | -179.2 | -52.3 | -38.9 | 0 | 0 | 0 | 114 | F9 N13 P92 L93 F96 L200 T204 V314 F315 | F9-F312 HydrophobicContact CD2-CE1 4.16Å; F9-F312 AromaticContact CE2-CD1 3.66Å; F9-F312 HydrophobicContact CE2-CD1 3.66Å; F9-F312 AromaticContact CE2-CE1 3.34Å; F9-F312 HydrophobicContact CE2-CE1 3.34Å; F9-F312 HydrophobicContact CE2-CZ 4.2Å; F9-F312 HydrophobicContact CZ-CD1 4.05Å; F9-F312 AromaticContact CZ-CE1 3.94Å; F9-F312 HydrophobicContact CZ-CE1 3.94Å; N13-F312 HydrophobicContact CB-CE1 4.35Å; P92-F312 HydrophobicContact CB-CE2 4.41Å; P92-F312 HydrophobicContact CG-CE2 3.62Å; P92-F312 HydrophobicContact CG-CZ 3.84Å; L93-F312 HydrophobicContact CB-CD1 4.27Å; L93-F312 HydrophobicContact CB-CE1 3.98Å; L93-F312 HydrophobicContact CB-CZ 4.24Å; L93-F312 HydrophobicContact CD1-CB 4.23Å; L93-F312 HydrophobicContact CD1-CD1 3.74Å; L93-F312 HydrophobicContact CD1-CE1 4.31Å; L93-F312 HydrophobicContact CD1-CG 4Å; L93-F312 HydrophobicContact CG-CD1 4.43Å; F96-F312 HydrophobicContact CB-CD2 4.5Å; F96-F312 HydrophobicContact CD1-CB 3.85Å; F96-F312 HydrophobicContact CD2-CB 4.02Å; F96-F312 HydrophobicContact CE1-CB 3.9Å; F96-F312 WeakPolarHBondContact CE1-O 3.42Å; F96-F312 HydrophobicContact CE2-CB 4.08Å; F96-F312 HydrophobicContact CG-CB 3.91Å; F96-F312 HydrophobicContact CG-CD2 4.49Å; F96-F312 HydrophobicContact CZ-CB 4.01Å; F96-F312 WeakPolarHBondContact CZ-O 3.48Å; L200-F312 HydrophobicContact CD1-CD2 3.82Å; L200-F312 HydrophobicContact CD1-CE2 4.05Å; T204-F312 HydrophobicContact CG2-CB 3.98Å; T204-F312 HydrophobicContact CG2-CD2 4.06Å; T204-F312 HydrophobicContact CG2-CG 4.38Å; T204-F312 PolarHBondContact OG1-N 3.37Å; F312-V314 PolarHBondContact O-N 3.49Å; F312-F315 HydrophobicContact CB-CD2 4.27Å; F312-F315 HydrophobicContact CD1-CE2 4.23Å; F312-F315 WeakPolarHBondContact O-CB 3.46Å; F312-F315 WeakPolarHBondContact O-CD2 3.29Å; F312-F315 PolarHBondContact O-N 2.92Å |
| 313 | G | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.4 | -24.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | M208 H311 F315 Y316 A317 | M208-G313 VanDerWaalsContact SD-CA 3.56Å; H311-G313 WeakPolarHBondContact ND1-CA 3.4Å; H311-G313 PolarHBondContact ND1-N 2.96Å; H311-G313 VanDerWaalsContact ND1-N 3.17Å; G313-F315 VanDerWaalsContact C-N 3.27Å; G313-F315 PolarHBondContact O-N 3Å; G313-Y316 PolarHBondContact O-N 3.03Å; G313-A317 VanDerWaalsContact O-CB 3.28Å; G313-A317 WeakPolarHBondContact O-CB 3.5Å; G313-A317 PolarHBondContact O-N 3.47Å |
| 314 | V | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.3 | -31.4 | 173.6 | -63.2 | 0 | 0 | 0 | 0 | 113.5 | V20 F306 H311 F312 F318 | V20-V314 HydrophobicContact CG1-CB 4.33Å; V20-V314 HydrophobicContact CG1-CG2 3.75Å; F306-V314 HydrophobicContact CD1-CB 4.34Å; F306-V314 HydrophobicContact CD1-CG1 4.08Å; F306-V314 HydrophobicContact CE1-CB 4Å; F306-V314 HydrophobicContact CE1-CG1 4.25Å; F306-V314 HydrophobicContact CZ-CB 4.45Å; H311-V314 PolarHBondContact CE1-N 3.15Å; H311-V314 WeakPolarHBondContact NE2-CG1 3.46Å; H311-V314 WeakPolarHBondContact O-CG2 3.28Å; F312-V314 PolarHBondContact O-N 3.49Å; V314-F318 VanDerWaalsContact O-CB 3.23Å; V314-F318 WeakPolarHBondContact O-CB 3.25Å; V314-F318 PolarHBondContact O-N 3.28Å |
| 315 | F | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -72 | -44.7 | 179.3 | -62.9 | -83 | 0 | 0 | 0 | 110.8 | L16 V20 M85 L93 F96 L97 F312 G313 F318 V319 | L16-F315 HydrophobicContact CB-CE1 3.92Å; L16-F315 HydrophobicContact CB-CZ 3.72Å; V20-F315 HydrophobicContact CB-CD1 4.12Å; V20-F315 HydrophobicContact CB-CE1 4.03Å; V20-F315 HydrophobicContact CG1-CD1 4.12Å; V20-F315 HydrophobicContact CG1-CE1 3.84Å; V20-F315 HydrophobicContact CG1-CZ 4.17Å; V20-F315 HydrophobicContact CG2-CD1 4.27Å; M85-F315 HydrophobicContact SD-CD1 3.78Å; M85-F315 HydrophobicContact SD-CE1 4.02Å; L93-F315 HydrophobicContact CD1-CD2 3.52Å; L93-F315 HydrophobicContact CD1-CE2 3.6Å; L93-F315 HydrophobicContact CD1-CG 4.06Å; L93-F315 HydrophobicContact CD1-CZ 4.18Å; L93-F315 HydrophobicContact CD2-CE1 4.32Å; L93-F315 HydrophobicContact CD2-CE2 3.85Å; L93-F315 HydrophobicContact CD2-CZ 3.72Å; L93-F315 HydrophobicContact CG-CE2 4.41Å; F96-F315 HydrophobicContact CE1-CB 4.2Å; L97-F315 HydrophobicContact CD2-CB 3.83Å; L97-F315 HydrophobicContact CD2-CD1 4.37Å; L97-F315 HydrophobicContact CD2-CG 4.23Å; F312-F315 HydrophobicContact CB-CD2 4.27Å; F312-F315 HydrophobicContact CD1-CE2 4.23Å; F312-F315 WeakPolarHBondContact O-CB 3.46Å; F312-F315 WeakPolarHBondContact O-CD2 3.29Å; F312-F315 PolarHBondContact O-N 2.92Å; G313-F315 VanDerWaalsContact C-N 3.27Å; G313-F315 PolarHBondContact O-N 3Å; F315-F318 PolarHBondContact O-N 3.35Å; F315-V319 WeakPolarHBondContact O-CG2 3.5Å; F315-V319 PolarHBondContact O-N 2.65Å; F315-V319 VanDerWaalsContact O-N 3.16Å |
| 316 | Y | 96 | Very high | 93.8 | Very high | 7 Ų | 7 | 25.1 Ų | 25.1 | 3% | 0.027 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.1 | -49.4 | 173.4 | -177.6 | -84.4 | 0 | 0 | 0 | 111 | I100 F193 M208 I211 G313 F318 V319 K320 | I100-Y316 HydrophobicContact CD1-CD2 4.27Å; I100-Y316 HydrophobicContact CG1-CD2 3.99Å; F193-Y316 AromaticContact CE1-CD2 3.93Å; F193-Y316 HydrophobicContact CE1-CD2 3.93Å; F193-Y316 AromaticContact CE1-CE2 4Å; F193-Y316 HydrophobicContact CE1-CE2 4Å; F193-Y316 HydrophobicContact CZ-CD2 4.29Å; M208-Y316 HydrophobicContact CE-CD1 3.92Å; M208-Y316 HydrophobicContact CE-CD2 3.48Å; M208-Y316 VanDerWaalsContact CE-CD2 3.48Å; M208-Y316 HydrophobicContact CE-CE2 4.15Å; M208-Y316 HydrophobicContact CE-CG 3.35Å; M208-Y316 VanDerWaalsContact SD-CB 3.53Å; M208-Y316 HydrophobicContact SD-CD1 4.06Å; M208-Y316 HydrophobicContact SD-CG 3.79Å; I211-Y316 HydrophobicContact CG2-CD1 3.98Å; I211-Y316 HydrophobicContact CG2-CE1 3.38Å; G313-Y316 PolarHBondContact O-N 3.03Å; Y316-F318 VanDerWaalsContact C-N 3.31Å; Y316-F318 PolarHBondContact O-N 2.63Å; Y316-V319 PolarHBondContact O-N 3.27Å; Y316-K320 HydrophobicContact CD1-CG 3.89Å; Y316-K320 HydrophobicContact CE1-CB 4.48Å; Y316-K320 HydrophobicContact CE1-CD 4.38Å; Y316-K320 HydrophobicContact CE1-CG 3.39Å; Y316-K320 HydrophobicContact CE2-CG 4.48Å; Y316-K320 PolarHBondContact O-N 3.03Å; Y316-K320 WeakPolarHBondContact OH-CE 3.27Å |
| 317 | A | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.2 | -42.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N302 A305 F306 G313 V319 K320 L321 | N302-A317 HydrophobicContact CB-CB 3.88Å; N302-A317 VanDerWaalsContact O-CB 3.32Å; N302-A317 WeakPolarHBondContact O-CB 3.21Å; N302-A317 WeakPolarHBondContact OD1-CA 3.24Å; A305-A317 HydrophobicContact CB-CB 3.82Å; F306-A317 HydrophobicContact CD2-CB 4.22Å; F306-A317 HydrophobicContact CE2-CB 3.63Å; F306-A317 HydrophobicContact CZ-CB 4.32Å; G313-A317 VanDerWaalsContact O-CB 3.28Å; G313-A317 WeakPolarHBondContact O-CB 3.5Å; G313-A317 PolarHBondContact O-N 3.47Å; A317-V319 PolarHBondContact O-N 3.43Å; A317-K320 PolarHBondContact O-N 2.97Å; A317-L321 WeakPolarHBondContact O-CB 3.45Å; A317-L321 WeakPolarHBondContact O-CG 3.36Å; A317-L321 PolarHBondContact O-N 3.02Å |
| 318 | F | 95.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.018 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.9 | -49.8 | 175.2 | 175.7 | -106.7 | 0 | 0 | 0 | 112.2 | V20 L23 K24 M85 F306 V314 F315 Y316 K320 L321 K322 | V20-F318 HydrophobicContact CG2-CB 3.38Å; V20-F318 HydrophobicContact CG2-CD1 3.9Å; V20-F318 HydrophobicContact CG2-CD2 4.08Å; V20-F318 HydrophobicContact CG2-CG 3.51Å; L23-F318 HydrophobicContact CB-CD2 4.31Å; L23-F318 HydrophobicContact CB-CE1 4.35Å; L23-F318 HydrophobicContact CB-CE2 3.46Å; L23-F318 VanDerWaalsContact CB-CE2 3.46Å; L23-F318 HydrophobicContact CB-CZ 3.48Å; L23-F318 VanDerWaalsContact CB-CZ 3.48Å; L23-F318 HydrophobicContact CD1-CE1 4.05Å; L23-F318 HydrophobicContact CD1-CZ 3.88Å; L23-F318 HydrophobicContact CG-CZ 4.25Å; K24-F318 HydrophobicContact CB-CD2 4.35Å; M85-F318 HydrophobicContact CE-CD1 3.95Å; M85-F318 HydrophobicContact CE-CE1 4.03Å; F306-F318 HydrophobicContact CZ-CB 3.99Å; V314-F318 VanDerWaalsContact O-CB 3.23Å; V314-F318 WeakPolarHBondContact O-CB 3.25Å; V314-F318 PolarHBondContact O-N 3.28Å; F315-F318 PolarHBondContact O-N 3.35Å; Y316-F318 VanDerWaalsContact C-N 3.31Å; Y316-F318 PolarHBondContact O-N 2.63Å; F318-K320 PolarHBondContact O-N 3.37Å; F318-L321 PolarHBondContact O-N 3.46Å; F318-K322 HydrophobicContact CD2-CG 4.11Å; F318-K322 HydrophobicContact CE1-CG 4.05Å; F318-K322 HydrophobicContact CE2-CD 4.2Å; F318-K322 HydrophobicContact CE2-CG 3.54Å; F318-K322 HydrophobicContact CZ-CD 4.27Å; F318-K322 HydrophobicContact CZ-CG 3.51Å; F318-K322 WeakPolarHBondContact O-CB 3.44Å; F318-K322 PolarHBondContact O-N 3.5Å |
| 319 | V | 95.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.012 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.4 | -50.8 | 179.6 | 173.7 | 0 | 0 | 0 | 0 | 110.2 | F82 I100 Y104 F315 Y316 A317 L321 K322 E323 | F82-V319 HydrophobicContact CD2-CG2 3.61Å; F82-V319 HydrophobicContact CE2-CG2 3.92Å; I100-V319 HydrophobicContact CG2-CG1 4.24Å; Y104-V319 VanDerWaalsContact OH-CG1 3.29Å; Y104-V319 WeakPolarHBondContact OH-CG1 3.32Å; F315-V319 WeakPolarHBondContact O-CG2 3.5Å; F315-V319 PolarHBondContact O-N 2.65Å; F315-V319 VanDerWaalsContact O-N 3.16Å; Y316-V319 PolarHBondContact O-N 3.27Å; A317-V319 PolarHBondContact O-N 3.43Å; V319-L321 PolarHBondContact O-N 3.47Å; V319-K322 PolarHBondContact O-N 3.08Å; V319-E323 WeakPolarHBondContact O-CG 3.32Å; V319-E323 PolarHBondContact O-N 3.16Å |
| 320 | K | 94.8 | Very high | 94.2 | Very high | 32 Ų | 32 | 15.5 Ų | 15.5 | 14% | 0.139 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.3 | -38.6 | -179.9 | -66.2 | -49.2 | -176.6 | -177.4 | 0 | 113.9 | Y316 A317 F318 E323 Q324 | Y316-K320 HydrophobicContact CD1-CG 3.89Å; Y316-K320 HydrophobicContact CE1-CB 4.48Å; Y316-K320 HydrophobicContact CE1-CD 4.38Å; Y316-K320 HydrophobicContact CE1-CG 3.39Å; Y316-K320 HydrophobicContact CE2-CG 4.48Å; Y316-K320 PolarHBondContact O-N 3.03Å; Y316-K320 WeakPolarHBondContact OH-CE 3.27Å; A317-K320 PolarHBondContact O-N 2.97Å; F318-K320 PolarHBondContact O-N 3.37Å; K320-E323 WeakPolarHBondContact CD-OE2 3.32Å; K320-E323 IonicContact NZ-OE2 3.9Å; K320-E323 PolarHBondContact NZ-OE2 3.08Å; K320-E323 PolarHBondContact O-N 3.37Å; K320-Q324 PolarHBondContact O-N 3.49Å; K320-Q324 VanDerWaalsContact O-N 3.09Å |
| 321 | L | 94.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -67.6 | -40.5 | 175.1 | -68 | -178 | 0 | 0 | 0 | 111.6 | V299 N302 K303 F306 A317 F318 V319 Q324 E325 I350 F351 | V299-L321 HydrophobicContact CB-CD2 4.35Å; V299-L321 HydrophobicContact CG1-CD2 3.96Å; V299-L321 HydrophobicContact CG2-CD2 4.39Å; N302-L321 HydrophobicContact CB-CD1 4.43Å; N302-L321 HydrophobicContact CB-CD2 3.83Å; N302-L321 HydrophobicContact CB-CG 3.91Å; K303-L321 HydrophobicContact CG-CD1 4.33Å; K303-L321 HydrophobicContact CG-CD2 4.36Å; F306-L321 HydrophobicContact CD2-CD1 4.26Å; F306-L321 HydrophobicContact CE2-CD1 3.79Å; A317-L321 WeakPolarHBondContact O-CB 3.45Å; A317-L321 WeakPolarHBondContact O-CG 3.36Å; A317-L321 PolarHBondContact O-N 3.02Å; F318-L321 PolarHBondContact O-N 3.46Å; V319-L321 PolarHBondContact O-N 3.47Å; L321-Q324 PolarHBondContact O-N 3.36Å; L321-E325 PolarHBondContact O-N 2.94Å; L321-I350 HydrophobicContact CB-CG2 4.39Å; L321-I350 HydrophobicContact CD1-CG2 4.16Å; L321-I350 HydrophobicContact CD2-CG2 3.75Å; L321-I350 HydrophobicContact CG-CG2 4.31Å; L321-I350 WeakPolarHBondContact O-CD1 3.49Å; L321-F351 HydrophobicContact CD1-CE2 4.18Å; L321-F351 HydrophobicContact CD1-CZ 3.82Å |
| 322 | K | 94.1 | Very high | 94.3 | Very high | 10 Ų | 10 | 16.9 Ų | 16.9 | 4% | 0.043 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.1 | -36.6 | 175.4 | -79.6 | -62.2 | -174.6 | -178.6 | 0 | 112.7 | G26 V27 M78 F318 V319 E325 C326 | G26-K322 PolarHBondContact O-NZ 3.17Å; V27-K322 HydrophobicContact CG2-CD 4.2Å; M78-K322 HydrophobicContact CG-CB 4.44Å; M78-K322 HydrophobicContact SD-CB 4.24Å; F318-K322 HydrophobicContact CD2-CG 4.11Å; F318-K322 HydrophobicContact CE1-CG 4.05Å; F318-K322 HydrophobicContact CE2-CD 4.2Å; F318-K322 HydrophobicContact CE2-CG 3.54Å; F318-K322 HydrophobicContact CZ-CD 4.27Å; F318-K322 HydrophobicContact CZ-CG 3.51Å; F318-K322 WeakPolarHBondContact O-CB 3.44Å; F318-K322 PolarHBondContact O-N 3.5Å; V319-K322 PolarHBondContact O-N 3.08Å; K322-E325 WeakPolarHBondContact CD-OE2 3.49Å; K322-E325 WeakPolarHBondContact CE-OE2 2.96Å; K322-E325 IonicContact NZ-OE1 2.73Å; K322-E325 IonicContact NZ-OE2 3.52Å; K322-E325 PolarHBondContact NZ-OE2 3.14Å; K322-E325 WeakPolarHBondContact O-CB 3.32Å; K322-E325 PolarHBondContact O-N 2.98Å; K322-C326 PolarHBondContact O-N 3.38Å; K322-C326 PolarHBondContact O-SG 3.39Å |
| 323 | E | 92.6 | Very high | 94.2 | Very high | 26 Ų | 26 | 16.3 Ų | 16.3 | 12% | 0.121 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.1 | -46.4 | 171.5 | -72 | -172.1 | 132.7 | 0 | 0 | 111.9 | M78 Y104 V319 K320 E325 C326 R327 | M78-E323 HydrophobicContact CE-CG 4.1Å; M78-E323 HydrophobicContact SD-CG 3.81Å; Y104-E323 WeakPolarHBondContact CE1-OE1 3.42Å; Y104-E323 PolarHBondContact OH-OE1 2.97Å; Y104-E323 PolarHBondContact OH-OE2 3.13Å; V319-E323 WeakPolarHBondContact O-CG 3.32Å; V319-E323 PolarHBondContact O-N 3.16Å; K320-E323 WeakPolarHBondContact CD-OE2 3.32Å; K320-E323 IonicContact NZ-OE2 3.9Å; K320-E323 PolarHBondContact NZ-OE2 3.08Å; K320-E323 PolarHBondContact O-N 3.37Å; E323-E325 VanDerWaalsContact C-N 3.3Å; E323-E325 PolarHBondContact O-N 3.17Å; E323-C326 PolarHBondContact O-N 3.32Å; E323-R327 WeakPolarHBondContact O-CG 3.43Å; E323-R327 PolarHBondContact O-N 3.05Å |
| 324 | Q | 94.1 | Very high | 94.1 | Very high | 14 Ų | 14 | 19.9 Ų | 19.9 | 7% | 0.065 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.7 | -37.5 | 178.3 | -173 | 58.8 | 42.2 | 0 | 0 | 111.8 | V299 K320 L321 R327 N328 I348 I350 | V299-Q324 HydrophobicContact CG2-CB 4.2Å; V299-Q324 HydrophobicContact CG2-CG 3.76Å; K320-Q324 PolarHBondContact O-N 3.49Å; K320-Q324 VanDerWaalsContact O-N 3.09Å; L321-Q324 PolarHBondContact O-N 3.36Å; Q324-R327 PolarHBondContact O-N 3.03Å; Q324-N328 PolarHBondContact NE2-OD1 3.39Å; Q324-N328 PolarHBondContact O-N 2.65Å; Q324-N328 PolarHBondContact O-ND2 3.27Å; Q324-N328 PolarHBondContact O-OD1 3.35Å; Q324-I348 HydrophobicContact CG-CB 4.45Å; Q324-I350 HydrophobicContact CB-CD1 4.31Å |
| 325 | E | 94.2 | Very high | 94 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.5 | -47 | 173.5 | 179.6 | -177.1 | -112.6 | 0 | 0 | 111.3 | V27 L28 Y54 L321 K322 E323 R327 N328 I329 I350 | V27-E325 VanDerWaalsContact CA-OE1 3.25Å; V27-E325 WeakPolarHBondContact CA-OE1 3.5Å; L28-E325 HydrophobicContact CB-CG 4.46Å; L28-E325 WeakPolarHBondContact CB-OE1 2.97Å; L28-E325 HydrophobicContact CD1-CG 4.13Å; L28-E325 HydrophobicContact CG-CG 4.16Å; L28-E325 VanDerWaalsContact CG-OE1 3.28Å; L28-E325 WeakPolarHBondContact CG-OE1 3.09Å; L28-E325 PolarHBondContact N-OE1 3.25Å; Y54-E325 PolarHBondContact OH-OE2 3.42Å; L321-E325 PolarHBondContact O-N 2.94Å; K322-E325 WeakPolarHBondContact CD-OE2 3.49Å; K322-E325 WeakPolarHBondContact CE-OE2 2.96Å; K322-E325 IonicContact NZ-OE1 2.73Å; K322-E325 IonicContact NZ-OE2 3.52Å; K322-E325 PolarHBondContact NZ-OE2 3.14Å; K322-E325 WeakPolarHBondContact O-CB 3.32Å; K322-E325 PolarHBondContact O-N 2.98Å; E323-E325 VanDerWaalsContact C-N 3.3Å; E323-E325 PolarHBondContact O-N 3.17Å; E325-R327 VanDerWaalsContact C-N 3.33Å; E325-R327 PolarHBondContact O-N 3.47Å; E325-N328 WeakPolarHBondContact O-CB 3.36Å; E325-N328 PolarHBondContact O-N 3.05Å; E325-I329 HydrophobicContact CG-CD1 4.03Å; E325-I329 WeakPolarHBondContact O-CG1 3.32Å; E325-I329 PolarHBondContact O-N 2.9Å; E325-I350 HydrophobicContact CB-CD1 3.73Å |
| 326 | C | 93.6 | Very high | 93.8 | Very high | 9 Ų | 9 | 20.6 Ų | 20.6 | 6% | 0.061 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.8 | -45.5 | 176.6 | -64.9 | 0 | 0 | 0 | 0 | 111 | L74 K322 E323 N328 I329 V330 | L74-C326 HydrophobicContact CB-CB 4.4Å; L74-C326 HydrophobicContact CD1-CB 4.41Å; K322-C326 PolarHBondContact O-N 3.38Å; K322-C326 PolarHBondContact O-SG 3.39Å; E323-C326 PolarHBondContact O-N 3.32Å; C326-N328 VanDerWaalsContact C-N 3.33Å; C326-N328 PolarHBondContact O-N 3.39Å; C326-I329 PolarHBondContact O-N 2.85Å; C326-V330 VanDerWaalsContact O-CG2 3.32Å; C326-V330 WeakPolarHBondContact O-CG2 3.37Å; C326-V330 PolarHBondContact O-N 3.33Å |
| 327 | R | 93.2 | Very high | 93.5 | Very high | 118 Ų | 118 | 22.9 Ų | 22.9 | 45% | 0.445 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -58.9 | -42.6 | 175.7 | -70.7 | 175.4 | -173.6 | -179.9 | 0 | 112.3 | E323 Q324 E325 V330 W331 | E323-R327 WeakPolarHBondContact O-CG 3.43Å; E323-R327 PolarHBondContact O-N 3.05Å; Q324-R327 PolarHBondContact O-N 3.03Å; E325-R327 VanDerWaalsContact C-N 3.33Å; E325-R327 PolarHBondContact O-N 3.47Å; R327-V330 PolarHBondContact O-N 3.46Å; R327-W331 WeakPolarHBondContact O-CB 3.35Å; R327-W331 PolarHBondContact O-N 3.3Å |
| 328 | N | 93.8 | Very high | 93.3 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.5 | -44.1 | 177 | -67.3 | -23 | 0 | 0 | 0 | 111.6 | Y33 Q324 E325 C326 W331 I332 I348 | Y33-N328 HydrophobicContact CD1-CB 4.45Å; Y33-N328 HydrophobicContact CE1-CB 3.48Å; Y33-N328 VanDerWaalsContact CE1-CB 3.48Å; Y33-N328 PolarHBondContact OH-ND2 3.36Å; Q324-N328 PolarHBondContact NE2-OD1 3.39Å; Q324-N328 PolarHBondContact O-N 2.65Å; Q324-N328 PolarHBondContact O-ND2 3.27Å; Q324-N328 PolarHBondContact O-OD1 3.35Å; E325-N328 WeakPolarHBondContact O-CB 3.36Å; E325-N328 PolarHBondContact O-N 3.05Å; C326-N328 VanDerWaalsContact C-N 3.33Å; C326-N328 PolarHBondContact O-N 3.39Å; N328-W331 PolarHBondContact O-N 3.33Å; N328-I332 VanDerWaalsContact O-CG1 3.29Å; N328-I332 WeakPolarHBondContact O-CG1 3.32Å; N328-I332 PolarHBondContact O-N 3.04Å; N328-I348 PolarHBondContact ND2-O 3.11Å; N328-I348 PolarHBondContact OD1-N 2.98Å |
| 329 | I | 93.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.7 | -45.9 | 178 | -64.8 | 165.7 | 0 | 0 | 0 | 110.3 | L28 L36 L45 L49 Y54 I70 L74 E325 C326 I332 A333 | L28-I329 HydrophobicContact CD1-CD1 3.77Å; L28-I329 HydrophobicContact CD1-CG1 3.83Å; L36-I329 HydrophobicContact CD1-CG1 4.47Å; L45-I329 HydrophobicContact CD2-CG2 4.48Å; L49-I329 HydrophobicContact CD1-CG2 3.92Å; L49-I329 HydrophobicContact CD2-CD1 4.07Å; L49-I329 HydrophobicContact CD2-CG1 4.44Å; Y54-I329 HydrophobicContact CE2-CD1 3.72Å; I70-I329 HydrophobicContact CG2-CG2 4.22Å; L74-I329 HydrophobicContact CD1-CB 3.97Å; L74-I329 HydrophobicContact CD1-CD1 4.31Å; L74-I329 HydrophobicContact CD1-CG2 3.78Å; L74-I329 HydrophobicContact CD2-CD1 3.93Å; E325-I329 HydrophobicContact CG-CD1 4.03Å; E325-I329 WeakPolarHBondContact O-CG1 3.32Å; E325-I329 PolarHBondContact O-N 2.9Å; C326-I329 PolarHBondContact O-N 2.85Å; I329-I332 PolarHBondContact O-N 3.17Å; I329-A333 WeakPolarHBondContact O-CB 3.44Å; I329-A333 PolarHBondContact O-N 2.95Å |
| 330 | V | 93.6 | Very high | 92.5 | Very high | 20 Ų | 20 | 45 Ų | 45 | 12% | 0.121 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.8 | -45.5 | 177.8 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | V67 D71 L74 C326 R327 I332 A333 E334 | V67-V330 HydrophobicContact CG1-CG1 3.91Å; D71-V330 HydrophobicContact CB-CG2 3.76Å; L74-V330 HydrophobicContact CD1-CG2 4.11Å; C326-V330 VanDerWaalsContact O-CG2 3.32Å; C326-V330 WeakPolarHBondContact O-CG2 3.37Å; C326-V330 PolarHBondContact O-N 3.33Å; R327-V330 PolarHBondContact O-N 3.46Å; V330-I332 PolarHBondContact O-N 2.81Å; V330-A333 CarbonylContact O-C 3.6Å; V330-A333 WeakPolarHBondContact O-CB 3.24Å; V330-A333 PolarHBondContact O-N 3.39Å; V330-A333 VanDerWaalsContact O-N 3.15Å; V330-E334 HydrophobicContact CG1-CG 4.38Å; V330-E334 WeakPolarHBondContact O-CG 3.33Å; V330-E334 PolarHBondContact O-N 2.87Å |
| 331 | W | 92.5 | Very high | 92 | Very high | 96 Ų | 96 | 48.5 Ų | 48.5 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57 | -46.6 | 176 | 178.3 | -102.9 | 0 | 0 | 0 | 112.6 | R327 N328 A333 E334 C335 K343 | R327-W331 WeakPolarHBondContact O-CB 3.35Å; R327-W331 PolarHBondContact O-N 3.3Å; N328-W331 PolarHBondContact O-N 3.33Å; W331-A333 VanDerWaalsContact C-N 3.35Å; W331-E334 PolarHBondContact O-N 3.06Å; W331-C335 PolarHBondContact O-N 2.64Å; W331-C335 PolarHBondContact O-SG 3.31Å; W331-K343 HydrophobicContact CZ2-CB 4.11Å; W331-K343 PolarHBondContact NE1-O 3.36Å |
| 332 | I | 92.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 177.1 | -67.2 | 167.6 | 0 | 0 | 0 | 110.2 | Y33 L36 V37 L45 N328 I329 V330 E334 C335 I336 I344 Y347 | Y33-I332 HydrophobicContact CD1-CD1 3.87Å; Y33-I332 HydrophobicContact CE1-CD1 4.5Å; L36-I332 HydrophobicContact CB-CD1 4.18Å; L36-I332 HydrophobicContact CB-CG2 4.22Å; V37-I332 HydrophobicContact CG2-CD1 4.23Å; L45-I332 HydrophobicContact CD1-CG2 4.07Å; N328-I332 VanDerWaalsContact O-CG1 3.29Å; N328-I332 WeakPolarHBondContact O-CG1 3.32Å; N328-I332 PolarHBondContact O-N 3.04Å; I329-I332 PolarHBondContact O-N 3.17Å; V330-I332 PolarHBondContact O-N 2.81Å; I332-E334 PolarHBondContact O-N 3.49Å; I332-C335 PolarHBondContact O-N 2.93Å; I332-I336 HydrophobicContact CG2-CD1 3.78Å; I332-I336 HydrophobicContact CG2-CG1 4.48Å; I332-I336 VanDerWaalsContact O-CG1 3.29Å; I332-I336 WeakPolarHBondContact O-CG1 3.48Å; I332-I336 PolarHBondContact O-N 3.3Å; I332-I344 HydrophobicContact CG1-CG1 4.49Å; I332-I344 HydrophobicContact CG2-CD1 4.32Å; I332-I344 HydrophobicContact CG2-CG1 4.43Å; I332-Y347 HydrophobicContact CD1-CD1 4.32Å; I332-Y347 HydrophobicContact CD1-CG 4.5Å |
| 333 | A | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | L42 L45 V67 I70 I329 V330 W331 I336 A337 | L42-A333 HydrophobicContact CD2-CB 3.84Å; L45-A333 HydrophobicContact CD1-CB 4.03Å; V67-A333 HydrophobicContact CG1-CB 4.06Å; V67-A333 HydrophobicContact CG2-CB 4.21Å; I70-A333 HydrophobicContact CD1-CB 4.14Å; I329-A333 WeakPolarHBondContact O-CB 3.44Å; I329-A333 PolarHBondContact O-N 2.95Å; V330-A333 CarbonylContact O-C 3.6Å; V330-A333 WeakPolarHBondContact O-CB 3.24Å; V330-A333 PolarHBondContact O-N 3.39Å; V330-A333 VanDerWaalsContact O-N 3.15Å; W331-A333 VanDerWaalsContact C-N 3.35Å; A333-I336 PolarHBondContact O-N 2.9Å; A333-A337 VanDerWaalsContact O-CB 3.28Å; A333-A337 WeakPolarHBondContact O-CB 3.35Å; A333-A337 PolarHBondContact O-N 2.98Å |
| 334 | E | 92.7 | Very high | 90.4 | Very high | 74 Ų | 74 | 55.4 Ų | 55.4 | 35% | 0.346 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 174.3 | -71.8 | -177 | 160.7 | 0 | 0 | 111.9 | V67 V330 W331 I332 I336 A337 Q338 | V67-E334 HydrophobicContact CB-CG 4.45Å; V67-E334 HydrophobicContact CG1-CG 3.64Å; V67-E334 HydrophobicContact CG2-CG 4.4Å; V330-E334 HydrophobicContact CG1-CG 4.38Å; V330-E334 WeakPolarHBondContact O-CG 3.33Å; V330-E334 PolarHBondContact O-N 2.87Å; W331-E334 PolarHBondContact O-N 3.06Å; I332-E334 PolarHBondContact O-N 3.49Å; E334-I336 VanDerWaalsContact C-N 3.29Å; E334-I336 PolarHBondContact O-N 3.48Å; E334-A337 PolarHBondContact O-N 3.21Å; E334-Q338 WeakPolarHBondContact O-CB 3.41Å; E334-Q338 WeakPolarHBondContact O-CG 3.42Å; E334-Q338 PolarHBondContact O-N 3.29Å |
| 335 | C | 92.2 | Very high | 89.9 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 5% | 0.054 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.2 | -41.2 | 176.9 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | W331 I332 R339 H340 I344 | W331-C335 PolarHBondContact O-N 2.64Å; W331-C335 PolarHBondContact O-SG 3.31Å; I332-C335 PolarHBondContact O-N 2.93Å; C335-R339 PolarHBondContact O-N 3.17Å; C335-R339 VanDerWaalsContact O-N 3.16Å; C335-H340 WeakPolarHBondContact CB-O 2.87Å; C335-H340 PolarHBondContact O-N 3.13Å; C335-I344 HydrophobicContact CB-CB 4.11Å; C335-I344 HydrophobicContact CB-CD1 3.95Å; C335-I344 HydrophobicContact CB-CG1 3.78Å |
| 336 | I | 91.5 | Very high | 89.4 | Confident | 8 Ų | 8 | 63.6 Ų | 63.6 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.9 | -49.7 | 176.4 | -68.3 | 165.5 | 0 | 0 | 0 | 110.5 | C39 L42 L45 I332 A333 E334 Q338 R339 I344 | C39-I336 HydrophobicContact CB-CD1 3.75Å; L42-I336 HydrophobicContact CD2-CB 4.43Å; L42-I336 HydrophobicContact CD2-CG2 4.26Å; L45-I336 HydrophobicContact CB-CD1 4.48Å; L45-I336 HydrophobicContact CD1-CD1 3.79Å; I332-I336 HydrophobicContact CG2-CD1 3.78Å; I332-I336 HydrophobicContact CG2-CG1 4.48Å; I332-I336 VanDerWaalsContact O-CG1 3.29Å; I332-I336 WeakPolarHBondContact O-CG1 3.48Å; I332-I336 PolarHBondContact O-N 3.3Å; A333-I336 PolarHBondContact O-N 2.9Å; E334-I336 VanDerWaalsContact C-N 3.29Å; E334-I336 PolarHBondContact O-N 3.48Å; I336-Q338 PolarHBondContact O-N 3.49Å; I336-R339 PolarHBondContact O-N 3.17Å; I336-R339 VanDerWaalsContact O-N 3.11Å; I336-I344 HydrophobicContact CG1-CD1 4.25Å |
| 337 | A | 90.8 | Very high | 89 | Confident | 55 Ų | 55 | 64.2 Ų | 64.2 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L42 V67 A333 E334 R339 | L42-A337 HydrophobicContact CD1-CB 4.31Å; V67-A337 HydrophobicContact CG2-CB 3.83Å; A333-A337 VanDerWaalsContact O-CB 3.28Å; A333-A337 WeakPolarHBondContact O-CB 3.35Å; A333-A337 PolarHBondContact O-N 2.98Å; E334-A337 PolarHBondContact O-N 3.21Å; A337-R339 VanDerWaalsContact C-N 3.29Å |
| 338 | Q | 90.9 | Very high | 88.7 | Confident | 140 Ų | 140 | 59.2 Ų | 59.2 | 65% | 0.654 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -5.4 | 178.1 | -63.4 | 179.5 | 16.6 | 0 | 0 | 113.4 | E334 I336 H340 | E334-Q338 WeakPolarHBondContact O-CB 3.41Å; E334-Q338 WeakPolarHBondContact O-CG 3.42Å; E334-Q338 PolarHBondContact O-N 3.29Å; I336-Q338 PolarHBondContact O-N 3.49Å; Q338-H340 HydrophobicContact CB-CB 4.37Å; Q338-H340 PolarHBondContact O-N 3.37Å |
| 339 | R | 87.1 | Confident | 88.1 | Confident | 228 Ų | 228 | 62 Ų | 62 | 86% | 0.86 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 27.9 | -172.4 | -54.8 | -178.7 | 177.4 | -172.7 | -2.5 | 113.2 | C335 I336 A337 | C335-R339 PolarHBondContact O-N 3.17Å; C335-R339 VanDerWaalsContact O-N 3.16Å; I336-R339 PolarHBondContact O-N 3.17Å; I336-R339 VanDerWaalsContact O-N 3.11Å; A337-R339 VanDerWaalsContact C-N 3.29Å |
| 340 | H | 86.2 | Confident | 87.7 | Confident | 102 Ų | 102 | 62 Ų | 62 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | trans | -108.1 | 90.8 | 179.8 | -170.9 | 64.3 | 0 | 0 | 0 | 110.3 | C335 Q338 | C335-H340 WeakPolarHBondContact CB-O 2.87Å; C335-H340 PolarHBondContact O-N 3.13Å; Q338-H340 HydrophobicContact CB-CB 4.37Å; Q338-H340 PolarHBondContact O-N 3.37Å | ||
| 341 | R | 84 | Confident | 87.2 | Confident | 106 Ų | 106 | 65.3 Ų | 65.3 | 40% | 0.4 | 32% | 0.319 | S | S | . | . | trans | -91.2 | -1.2 | -174.5 | -60.9 | -171.2 | -179.6 | -141.2 | -4.7 | 115 | C39 K343 I344 | C39-R341 PolarHBondContact O-NH2 2.9Å; R341-K343 PolarHBondContact O-N 3.19Å; R341-K343 VanDerWaalsContact O-N 3.11Å; R341-I344 HydrophobicContact CB-CG2 4.41Å; R341-I344 VanDerWaalsContact O-CG2 3.32Å; R341-I344 WeakPolarHBondContact O-CG2 3.24Å; R341-I344 PolarHBondContact O-N 3.02Å | ||
| 342 | A | 82.6 | Confident | 87 | Confident | 83 Ų | 83 | 63.8 Ų | 63.8 | 69% | 0.686 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -25.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 343 | K | 81.7 | Confident | 86.7 | Confident | 93 Ų | 93 | 67.1 Ų | 67.1 | 40% | 0.404 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.5 | 20.9 | -179.4 | -64.2 | -173.7 | 177 | -174.4 | 0 | 112.8 | W331 R341 D345 N346 | W331-K343 HydrophobicContact CZ2-CB 4.11Å; W331-K343 PolarHBondContact NE1-O 3.36Å; R341-K343 PolarHBondContact O-N 3.19Å; R341-K343 VanDerWaalsContact O-N 3.11Å; K343-D345 PolarHBondContact O-N 3.24Å; K343-N346 HydrophobicContact CB-CB 4.48Å; K343-N346 VanDerWaalsContact O-CB 3.32Å; K343-N346 WeakPolarHBondContact O-CB 3.22Å; K343-N346 PolarHBondContact O-N 3.38Å; K343-N346 VanDerWaalsContact O-N 3.09Å |
| 344 | I | 83.6 | Confident | 86.3 | Confident | 6 Ų | 6 | 70.8 Ų | 70.8 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -29.6 | -177.8 | -162.1 | 166.3 | 0 | 0 | 0 | 111.7 | V37 I332 C335 I336 R341 N346 Y347 | V37-I344 HydrophobicContact CG1-CD1 4.2Å; V37-I344 HydrophobicContact CG1-CG1 4.26Å; V37-I344 HydrophobicContact CG1-CG2 3.67Å; V37-I344 HydrophobicContact CG2-CG1 4.27Å; I332-I344 HydrophobicContact CG1-CG1 4.49Å; I332-I344 HydrophobicContact CG2-CD1 4.32Å; I332-I344 HydrophobicContact CG2-CG1 4.43Å; C335-I344 HydrophobicContact CB-CB 4.11Å; C335-I344 HydrophobicContact CB-CD1 3.95Å; C335-I344 HydrophobicContact CB-CG1 3.78Å; I336-I344 HydrophobicContact CG1-CD1 4.25Å; R341-I344 HydrophobicContact CB-CG2 4.41Å; R341-I344 VanDerWaalsContact O-CG2 3.32Å; R341-I344 WeakPolarHBondContact O-CG2 3.24Å; R341-I344 PolarHBondContact O-N 3.02Å; I344-N346 PolarHBondContact O-N 2.7Å; I344-Y347 WeakPolarHBondContact O-CD1 3.41Å |
| 345 | D | 83.7 | Confident | 85.9 | Confident | 104 Ų | 104 | 70.6 Ų | 70.6 | 56% | 0.556 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -0.7 | 178.1 | -59.7 | -45.6 | 0 | 0 | 0 | 114 | K343 Y347 | K343-D345 PolarHBondContact O-N 3.24Å; D345-Y347 PolarHBondContact O-N 2.73Å; D345-Y347 VanDerWaalsContact O-N 3.14Å |
| 346 | N | 83.6 | Confident | 85.5 | Confident | 81 Ų | 81 | 74.6 Ų | 74.6 | 43% | 0.433 | 37% | 0.371 | S | S | . | . | trans | -78.5 | 14.6 | 180 | -73 | 6.7 | 0 | 0 | 0 | 113.8 | K343 I344 | K343-N346 HydrophobicContact CB-CB 4.48Å; K343-N346 VanDerWaalsContact O-CB 3.32Å; K343-N346 WeakPolarHBondContact O-CB 3.22Å; K343-N346 PolarHBondContact O-N 3.38Å; K343-N346 VanDerWaalsContact O-N 3.09Å; I344-N346 PolarHBondContact O-N 2.7Å | ||
| 347 | Y | 85.3 | Confident | 85.1 | Confident | 22 Ų | 22 | 79 Ų | 79 | 9% | 0.086 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -70.8 | 156.8 | 171.8 | 66.5 | -89.2 | 0 | 0 | 0 | 111 | Y33 V37 I332 I344 D345 P349 | Y33-Y347 VanDerWaalsContact CB-CE2 3.47Å; Y33-Y347 AromaticContact CD1-CD2 3.89Å; Y33-Y347 HydrophobicContact CD1-CD2 3.89Å; Y33-Y347 AromaticContact CD1-CE2 3.99Å; Y33-Y347 HydrophobicContact CD1-CE2 3.99Å; Y33-Y347 HydrophobicContact CD1-CG 4.43Å; Y33-Y347 HydrophobicContact CD2-CD2 4.36Å; Y33-Y347 AromaticContact CD2-CE2 3.97Å; Y33-Y347 HydrophobicContact CD2-CE2 3.97Å; Y33-Y347 HydrophobicContact CE1-CD2 4.33Å; Y33-Y347 AromaticContact CG-CD2 3.91Å; Y33-Y347 HydrophobicContact CG-CD2 3.91Å; Y33-Y347 AromaticContact CG-CE2 3.54Å; Y33-Y347 HydrophobicContact CG-CE2 3.54Å; V37-Y347 HydrophobicContact CG2-CD1 4.36Å; V37-Y347 HydrophobicContact CG2-CE1 3.85Å; I332-Y347 HydrophobicContact CD1-CD1 4.32Å; I332-Y347 HydrophobicContact CD1-CG 4.5Å; I344-Y347 WeakPolarHBondContact O-CD1 3.41Å; D345-Y347 PolarHBondContact O-N 2.73Å; D345-Y347 VanDerWaalsContact O-N 3.14Å; Y347-P349 HydrophobicContact CE2-CB 4.14Å; Y347-P349 VanDerWaalsContact O-CD 3.24Å; Y347-P349 WeakPolarHBondContact O-CD 3.32Å |
| 348 | I | 86.1 | Confident | 84.7 | Confident | 13 Ų | 13 | 80.7 Ų | 80.7 | 7% | 0.067 | 39% | 0.389 | C | S | . | . | trans | -99.3 | 102 | -179.8 | -60.4 | 175.9 | 0 | 0 | 0 | 108.5 | F295 E296 V299 Q324 N328 I350 | F295-I348 HydrophobicContact CB-CD1 3.37Å; F295-I348 HydrophobicContact CD2-CD1 4.46Å; F295-I348 HydrophobicContact CG-CD1 4.36Å; E296-I348 HydrophobicContact CG-CD1 4.35Å; E296-I348 HydrophobicContact CG-CG1 4.42Å; E296-I348 HydrophobicContact CG-CG2 4.02Å; V299-I348 HydrophobicContact CG2-CG2 4.1Å; Q324-I348 HydrophobicContact CG-CB 4.45Å; N328-I348 PolarHBondContact ND2-O 3.11Å; N328-I348 PolarHBondContact OD1-N 2.98Å; I348-I350 PolarHBondContact O-N 3.07Å | ||
| 349 | P | 81.5 | Confident | 84.2 | Confident | 62 Ų | 62 | 76.2 Ų | 76.2 | 40% | 0.403 | 37% | 0.369 | S | S | . | . | trans | -64.5 | 134.8 | -178 | 26 | -33.9 | 0 | 0 | 0 | 111 | Y347 | Y347-P349 HydrophobicContact CE2-CB 4.14Å; Y347-P349 VanDerWaalsContact O-CD 3.24Å; Y347-P349 WeakPolarHBondContact O-CD 3.32Å | ||
| 350 | I | 86.1 | Confident | 84 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | trans | -89.5 | -62.1 | -179.5 | -58.2 | 167.8 | 0 | 0 | 0 | 110.7 | V27 V299 K303 L321 Q324 E325 I348 | V27-I350 HydrophobicContact CG1-CB 4.2Å; V27-I350 HydrophobicContact CG1-CD1 3.95Å; V27-I350 HydrophobicContact CG1-CG2 4.12Å; V299-I350 HydrophobicContact CG1-CB 4.49Å; V299-I350 HydrophobicContact CG1-CG1 4.35Å; V299-I350 HydrophobicContact CG1-CG2 4.29Å; K303-I350 WeakPolarHBondContact CD-O 3.5Å; K303-I350 WeakPolarHBondContact CE-O 3.28Å; K303-I350 HydrophobicContact CG-CG2 4.42Å; K303-I350 PolarHBondContact NZ-O 3.35Å; L321-I350 HydrophobicContact CB-CG2 4.39Å; L321-I350 HydrophobicContact CD1-CG2 4.16Å; L321-I350 HydrophobicContact CD2-CG2 3.75Å; L321-I350 HydrophobicContact CG-CG2 4.31Å; L321-I350 WeakPolarHBondContact O-CD1 3.49Å; Q324-I350 HydrophobicContact CB-CD1 4.31Å; E325-I350 HydrophobicContact CB-CD1 3.73Å; I348-I350 PolarHBondContact O-N 3.07Å | ||
| 351 | F | 83.8 | Confident | 83.8 | Confident | 89 Ų | 89 | 60 Ų | 60 | 39% | 0.39 | 32% | 0.315 | S | S | . | . | trans | -112.3 | 0 | -176.1 | -70.6 | -66.4 | 0 | 0 | 0 | 114.1 | K24 V27 Q30 K303 L321 | K24-F351 HydrophobicContact CD-CZ 4.29Å; K24-F351 VanDerWaalsContact CE-CE1 3.48Å; K24-F351 HydrophobicContact CG-CE2 4.26Å; K24-F351 HydrophobicContact CG-CZ 4.15Å; V27-F351 HydrophobicContact CB-CD2 3.81Å; V27-F351 HydrophobicContact CB-CE2 3.87Å; V27-F351 HydrophobicContact CG1-CD2 3.63Å; V27-F351 HydrophobicContact CG1-CE2 3.83Å; V27-F351 HydrophobicContact CG2-CE2 4.17Å; Q30-F351 PolarHBondContact N-O 3.23Å; K303-F351 HydrophobicContact CD-CE1 4.47Å; K303-F351 HydrophobicContact CG-CE1 3.93Å; K303-F351 HydrophobicContact CG-CZ 4.26Å; L321-F351 HydrophobicContact CD1-CE2 4.18Å; L321-F351 HydrophobicContact CD1-CZ 3.82Å |
Retrieved 351 of 351 residues in 91.8 ms
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