| 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 | 51.2 | Low | 86 | Confident | 92 Ų | 92 | 96.2 Ų | 96.2 | 45% | 0.453 | 49% | 0.487 | S | S | . | . | 0 | 94 | 0 | -82.1 | -171.8 | 176.9 | 0 | 0 | 109.7 | Y5 W94 D304 | M1-Y5 HydrophobicContact SD-CE1 4.33Å; M1-W94 HydrophobicContact CB-CZ2 4.26Å; M1-W94 HydrophobicContact CG-CH2 4.16Å; M1-W94 HydrophobicContact CG-CZ2 3.97Å; M1-W94 HydrophobicContact SD-CH2 4.42Å; M1-D304 VanDerWaalsContact C-OD1 3.26Å; M1-D304 WeakPolarHBondContact CA-O 3.4Å; M1-D304 WeakPolarHBondContact CA-OD1 3.33Å; M1-D304 PolarHBondContact N-O 2.96Å | |||
| 2 | T | 77.4 | Confident | 86.4 | Confident | 34 Ų | 34 | 97.5 Ų | 97.5 | 21% | 0.209 | 52% | 0.524 | C | S | . | . | trans | -108 | -13.2 | 178.5 | 47.5 | 0 | 0 | 0 | 0 | 110.8 | T4 D303 D304 D305 E307 | T2-T4 PolarHBondContact O-N 2.99Å; T2-D303 PolarHBondContact OG1-O 3.27Å; T2-D304 PolarHBondContact N-O 3.44Å; T2-D304 PolarHBondContact N-OD1 2.85Å; T2-D304 WeakPolarHBondContact OG1-CA 3.28Å; T2-D305 WeakPolarHBondContact CB-O 3.34Å; T2-D305 WeakPolarHBondContact CG2-O 3.36Å; T2-D305 PolarHBondContact OG1-O 3.08Å; T2-E307 HydrophobicContact CG2-CB 4.24Å; T2-E307 HydrophobicContact CG2-CG 3.6Å | ||
| 3 | V | 87.2 | Confident | 86.7 | Confident | 5 Ų | 5 | 93.2 Ų | 93.2 | 3% | 0.03 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -76.9 | 67.8 | 162 | -170.8 | 0 | 0 | 0 | 0 | 109.3 | Y5 R23 K25 D303 D304 | V3-Y5 WeakPolarHBondContact O-CD1 3.37Å; V3-Y5 PolarHBondContact O-N 2.68Å; V3-R23 VanDerWaalsContact CG1-NE 3.35Å; V3-K25 WeakPolarHBondContact CG1-O 3.4Å; V3-K25 HydrophobicContact CG2-CD 3.9Å; V3-K25 HydrophobicContact CG2-CG 3.98Å; V3-D303 HydrophobicContact CG2-CB 4.09Å; V3-D303 WeakPolarHBondContact CG2-O 3.26Å; V3-D304 VanDerWaalsContact CB-OD1 3.32Å; V3-D304 WeakPolarHBondContact CB-OD1 3.49Å; V3-D304 WeakPolarHBondContact CB-OD2 3.41Å; V3-D304 HydrophobicContact CG2-CB 4.22Å; V3-D304 VanDerWaalsContact CG2-CG 3.45Å; V3-D304 WeakPolarHBondContact CG2-OD2 3.33Å; V3-D304 PolarHBondContact N-OD1 3.38Å |
| 4 | T | 89.9 | Confident | 86.9 | Confident | 102 Ų | 102 | 99.5 Ų | 99.5 | 63% | 0.626 | 55% | 0.548 | S | S | * | . | trans | -57.3 | 134.9 | -179.2 | 54.9 | 0 | 0 | 0 | 0 | 111.3 | T2 R23 | T2-T4 PolarHBondContact O-N 2.99Å; T4-R23 PolarHBondContact O-NH1 2.73Å; T4-R23 PolarHBondContact O-NH2 2.87Å | ||
| 5 | Y | 92.2 | Very high | 87 | Confident | 92 Ų | 92 | 94.7 Ų | 94.7 | 36% | 0.361 | 53% | 0.53 | S | S | . | . | trans | -135.8 | 1.7 | 174 | 57.3 | -94.5 | 0 | 0 | 0 | 113.9 | M1 V3 R7 R8 V9 L20 | M1-Y5 HydrophobicContact SD-CE1 4.33Å; V3-Y5 WeakPolarHBondContact O-CD1 3.37Å; V3-Y5 PolarHBondContact O-N 2.68Å; Y5-R7 VanDerWaalsContact C-N 3.29Å; Y5-R7 PolarHBondContact O-N 3.48Å; Y5-R7 VanDerWaalsContact O-N 3.12Å; Y5-R8 WeakPolarHBondContact O-CA 3.45Å; Y5-R8 WeakPolarHBondContact O-CB 3.43Å; Y5-R8 PolarHBondContact O-N 3.37Å; Y5-V9 HydrophobicContact CD2-CG1 3.89Å; Y5-V9 HydrophobicContact CD2-CG2 3.78Å; Y5-V9 HydrophobicContact CE2-CG1 4.37Å; Y5-V9 HydrophobicContact CE2-CG2 4.12Å; Y5-V9 PolarHBondContact O-N 3.35Å; Y5-L20 HydrophobicContact CD2-CD2 4.39Å | ||
| 6 | S | 92.1 | Very high | 87.2 | Confident | 91 Ų | 91 | 90.5 Ų | 90.5 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -50.4 | -43.1 | -172.4 | -36.8 | 0 | 0 | 0 | 0 | 113.6 | R8 V9 A10 | S6-R8 VanDerWaalsContact C-N 3.27Å; S6-R8 PolarHBondContact O-N 2.92Å; S6-V9 CarbonylContact O-C 3.55Å; S6-V9 WeakPolarHBondContact O-CG2 3.5Å; S6-V9 PolarHBondContact O-N 3.36Å; S6-V9 VanDerWaalsContact O-N 3.1Å; S6-A10 PolarHBondContact O-N 3.03Å |
| 7 | R | 90.9 | Very high | 87.5 | Confident | 240 Ų | 240 | 94.2 Ų | 94.2 | 91% | 0.906 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -61.3 | -28.7 | 176.2 | -179.8 | 175.9 | 172.6 | -172.9 | -1.7 | 114 | Y5 | Y5-R7 VanDerWaalsContact C-N 3.29Å; Y5-R7 PolarHBondContact O-N 3.48Å; Y5-R7 VanDerWaalsContact O-N 3.12Å |
| 8 | R | 88.6 | Confident | 87.7 | Confident | 158 Ų | 158 | 96.3 Ų | 96.3 | 60% | 0.596 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -81.9 | -14.8 | 177.4 | -64.7 | -172 | 178.8 | -163.5 | -1.1 | 113.2 | Y5 S6 T16 | Y5-R8 WeakPolarHBondContact O-CA 3.45Å; Y5-R8 WeakPolarHBondContact O-CB 3.43Å; Y5-R8 PolarHBondContact O-N 3.37Å; S6-R8 VanDerWaalsContact C-N 3.27Å; S6-R8 PolarHBondContact O-N 2.92Å; R8-T16 WeakPolarHBondContact O-CG2 3.43Å |
| 9 | V | 93.1 | Very high | 87.7 | Confident | 43 Ų | 43 | 96.8 Ų | 96.8 | 26% | 0.261 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -120.1 | 16.8 | -178.8 | -59 | 0 | 0 | 0 | 0 | 112.5 | Y5 S6 D11 T16 F17 L20 | Y5-V9 HydrophobicContact CD2-CG1 3.89Å; Y5-V9 HydrophobicContact CD2-CG2 3.78Å; Y5-V9 HydrophobicContact CE2-CG1 4.37Å; Y5-V9 HydrophobicContact CE2-CG2 4.12Å; Y5-V9 PolarHBondContact O-N 3.35Å; S6-V9 CarbonylContact O-C 3.55Å; S6-V9 WeakPolarHBondContact O-CG2 3.5Å; S6-V9 PolarHBondContact O-N 3.36Å; S6-V9 VanDerWaalsContact O-N 3.1Å; V9-D11 VanDerWaalsContact C-N 3.3Å; V9-T16 HydrophobicContact CB-CG2 4.26Å; V9-T16 HydrophobicContact CG1-CG2 3.98Å; V9-F17 HydrophobicContact CG1-CD1 4.31Å; V9-F17 HydrophobicContact CG1-CE1 4.14Å; V9-L20 HydrophobicContact CG1-CD1 3.91Å; V9-L20 HydrophobicContact CG1-CD2 4.19Å; V9-L20 HydrophobicContact CG1-CG 4.46Å |
| 10 | A | 92.3 | Very high | 87.9 | Confident | 72 Ų | 72 | 94.3 Ų | 94.3 | 60% | 0.595 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -63.2 | -40.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S6 | S6-A10 PolarHBondContact O-N 3.03Š|
| 11 | D | 90.8 | Very high | 88.1 | Confident | 129 Ų | 129 | 94.3 Ų | 94.3 | 69% | 0.69 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -111.9 | 136 | -177.3 | -55.9 | -65.2 | 0 | 0 | 0 | 112.1 | V9 G13 T16 | V9-D11 VanDerWaalsContact C-N 3.3Å; D11-G13 PolarHBondContact O-N 3.14Å; D11-T16 PolarHBondContact O-OG1 2.87Å; D11-T16 VanDerWaalsContact O-OG1 3.09Å |
| 12 | A | 91.2 | Very high | 90.1 | Very high | 112 Ų | 112 | 95.9 Ų | 95.9 | 93% | 0.926 | 51% | 0.514 | S | S | * | . | trans | -79.4 | 55.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 13 | G | 89.8 | Confident | 90.8 | Very high | 42 Ų | 42 | 97.7 Ų | 97.7 | 43% | 0.433 | 52% | 0.517 | S | S | . | . | trans | -74.6 | 163.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D11 G15 T16 | D11-G13 PolarHBondContact O-N 3.14Å; G13-G15 PolarHBondContact O-N 3.33Å; G13-T16 PolarHBondContact N-OG1 3.26Å; G13-T16 PolarHBondContact O-N 2.82Å; G13-T16 PolarHBondContact O-OG1 2.9Å | ||
| 14 | L | 90.2 | Very high | 91.1 | Very high | 181 Ų | 181 | 104.7 Ų | 104.7 | 95% | 0.948 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 122.3 | 172.4 | -175.6 | 147.1 | 0 | 0 | 0 | 109.5 | ||
| 15 | G | 87.8 | Confident | 91.2 | Very high | 28 Ų | 28 | 104 Ų | 104 | 29% | 0.289 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 2.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | G13 F17 F18 H19 | G13-G15 PolarHBondContact O-N 3.33Å; G15-F17 VanDerWaalsContact C-N 3.3Å; G15-F17 PolarHBondContact O-N 3.3Å; G15-F17 VanDerWaalsContact O-N 3.16Å; G15-F18 WeakPolarHBondContact O-CA 3.3Å; G15-F18 WeakPolarHBondContact O-CB 3.45Å; G15-F18 PolarHBondContact O-N 2.6Å; G15-H19 PolarHBondContact O-CD2 3.43Å; G15-H19 VanDerWaalsContact O-CD2 3.24Å; G15-H19 PolarHBondContact O-N 3.37Å |
| 16 | T | 91.3 | Very high | 91 | Very high | 27 Ų | 27 | 100.7 Ų | 100.7 | 17% | 0.166 | 53% | 0.526 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | -46.4 | -179.5 | -71.1 | 0 | 0 | 0 | 0 | 113.3 | R8 V9 D11 G13 | R8-T16 WeakPolarHBondContact O-CG2 3.43Å; V9-T16 HydrophobicContact CB-CG2 4.26Å; V9-T16 HydrophobicContact CG1-CG2 3.98Å; D11-T16 PolarHBondContact O-OG1 2.87Å; D11-T16 VanDerWaalsContact O-OG1 3.09Å; G13-T16 PolarHBondContact N-OG1 3.26Å; G13-T16 PolarHBondContact O-N 2.82Å; G13-T16 PolarHBondContact O-OG1 2.9Å |
| 17 | F | 91.3 | Very high | 91.1 | Very high | 154 Ų | 154 | 97 Ų | 97 | 68% | 0.675 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -25.6 | 175.9 | -70.3 | -5.1 | 0 | 0 | 0 | 114 | V9 G15 H19 L20 | V9-F17 HydrophobicContact CG1-CD1 4.31Å; V9-F17 HydrophobicContact CG1-CE1 4.14Å; G15-F17 VanDerWaalsContact C-N 3.3Å; G15-F17 PolarHBondContact O-N 3.3Å; G15-F17 VanDerWaalsContact O-N 3.16Å; F17-H19 VanDerWaalsContact C-N 3.29Å; F17-H19 PolarHBondContact O-N 3.09Å; F17-L20 HydrophobicContact CD1-CD1 3.81Å; F17-L20 HydrophobicContact CE1-CD1 4.45Å; F17-L20 HydrophobicContact CG-CD1 4.42Å; F17-L20 WeakPolarHBondContact O-CB 3.25Å; F17-L20 PolarHBondContact O-N 2.77Å |
| 18 | F | 90.8 | Very high | 91.3 | Very high | 131 Ų | 131 | 88.5 Ų | 88.5 | 58% | 0.575 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -63.2 | -38.1 | 174.1 | -177.8 | -98 | 0 | 0 | 0 | 111.1 | G15 L20 L21 | G15-F18 WeakPolarHBondContact O-CA 3.3Å; G15-F18 WeakPolarHBondContact O-CB 3.45Å; G15-F18 PolarHBondContact O-N 2.6Å; F18-L20 PolarHBondContact O-N 3.35Å; F18-L21 HydrophobicContact CD2-CD1 4.37Å; F18-L21 WeakPolarHBondContact O-CB 3.37Å; F18-L21 PolarHBondContact O-N 2.93Å; F18-L21 VanDerWaalsContact O-N 3.11Å |
| 19 | H | 88.8 | Confident | 91.5 | Very high | 107 Ų | 107 | 84.6 Ų | 84.6 | 50% | 0.495 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -65.9 | -15.2 | 173 | -67.5 | -59.8 | 0 | 0 | 0 | 114.6 | G15 F17 | G15-H19 PolarHBondContact O-CD2 3.43Å; G15-H19 VanDerWaalsContact O-CD2 3.24Å; G15-H19 PolarHBondContact O-N 3.37Å; F17-H19 VanDerWaalsContact C-N 3.29Å; F17-H19 PolarHBondContact O-N 3.09Å |
| 20 | L | 91.9 | Very high | 91.6 | Very high | 46 Ų | 46 | 86.6 Ų | 86.6 | 24% | 0.241 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -78.6 | -32.6 | 171.9 | -56.3 | 177.8 | 0 | 0 | 0 | 111.7 | Y5 V9 F17 F18 L22 R23 | Y5-L20 HydrophobicContact CD2-CD2 4.39Å; V9-L20 HydrophobicContact CG1-CD1 3.91Å; V9-L20 HydrophobicContact CG1-CD2 4.19Å; V9-L20 HydrophobicContact CG1-CG 4.46Å; F17-L20 HydrophobicContact CD1-CD1 3.81Å; F17-L20 HydrophobicContact CE1-CD1 4.45Å; F17-L20 HydrophobicContact CG-CD1 4.42Å; F17-L20 WeakPolarHBondContact O-CB 3.25Å; F17-L20 PolarHBondContact O-N 2.77Å; F18-L20 PolarHBondContact O-N 3.35Å; L20-L22 PolarHBondContact O-N 2.78Å; L20-L22 VanDerWaalsContact O-N 3.13Å; L20-R23 WeakPolarHBondContact O-CB 3.3Å; L20-R23 PolarHBondContact O-N 3.27Å |
| 21 | L | 92.6 | Very high | 91.6 | Very high | 94 Ų | 94 | 84.9 Ų | 84.9 | 49% | 0.492 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -10.1 | 175.6 | -57.8 | 177.4 | 0 | 0 | 0 | 113.2 | F18 Y29 | F18-L21 HydrophobicContact CD2-CD1 4.37Å; F18-L21 WeakPolarHBondContact O-CB 3.37Å; F18-L21 PolarHBondContact O-N 2.93Å; F18-L21 VanDerWaalsContact O-N 3.11Å; L21-Y29 VanDerWaalsContact O-CE2 3.23Å; L21-Y29 WeakPolarHBondContact O-CE2 3.46Å; L21-Y29 PolarHBondContact O-OH 3.18Å |
| 22 | L | 92.5 | Very high | 91.8 | Very high | 125 Ų | 125 | 78.8 Ų | 78.8 | 65% | 0.654 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 3.6 | 174.7 | -56.8 | 178.3 | 0 | 0 | 0 | 113.3 | L20 | L20-L22 PolarHBondContact O-N 2.78Å; L20-L22 VanDerWaalsContact O-N 3.13Å |
| 23 | R | 92.3 | Very high | 91.9 | Very high | 72 Ų | 72 | 77.9 Ų | 77.9 | 27% | 0.272 | 38% | 0.384 | S | S | . | . | trans | -89.5 | 141.6 | 178.3 | -164.1 | 177.5 | -167.1 | 159.8 | 2.7 | 111 | V3 T4 L20 S27 | V3-R23 VanDerWaalsContact CG1-NE 3.35Å; T4-R23 PolarHBondContact O-NH1 2.73Å; T4-R23 PolarHBondContact O-NH2 2.87Å; L20-R23 WeakPolarHBondContact O-CB 3.3Å; L20-R23 PolarHBondContact O-N 3.27Å; R23-S27 WeakPolarHBondContact O-CB 3.25Å | ||
| 24 | W | 92.9 | Very high | 92.1 | Very high | 152 Ų | 152 | 83.6 Ų | 83.6 | 58% | 0.576 | 39% | 0.392 | S | S | * | . | trans | -101.2 | -46.8 | 176.8 | -177.1 | -104.7 | 0 | 0 | 0 | 114.9 | G26 S27 K30 | W24-G26 PolarHBondContact O-N 3.04Å; W24-S27 WeakPolarHBondContact O-CB 3.15Å; W24-S27 PolarHBondContact O-N 2.86Å; W24-S27 PolarHBondContact O-OG 3.37Å; W24-K30 HydrophobicContact CD2-CB 4.39Å; W24-K30 HydrophobicContact CH2-CB 4.39Å; W24-K30 HydrophobicContact CZ2-CB 4.03Å; W24-K30 HydrophobicContact CZ2-CG 4.24Å | ||
| 25 | K | 91.1 | Very high | 92.4 | Very high | 89 Ų | 89 | 77.6 Ų | 77.6 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 131.9 | 173.9 | -163.6 | -167.7 | 176.5 | -161.9 | 0 | 109.2 | V3 S27 D303 | V3-K25 WeakPolarHBondContact CG1-O 3.4Å; V3-K25 HydrophobicContact CG2-CD 3.9Å; V3-K25 HydrophobicContact CG2-CG 3.98Å; K25-S27 PolarHBondContact O-N 3.39Å; K25-D303 WeakPolarHBondContact CA-OD2 3.47Å; K25-D303 VanDerWaalsContact CE-CG 3.49Å; K25-D303 WeakPolarHBondContact CE-O 3.43Å; K25-D303 VanDerWaalsContact CE-OD1 3.23Å; K25-D303 WeakPolarHBondContact CE-OD1 3.49Å; K25-D303 HydrophobicContact CG-CB 3.97Å; K25-D303 WeakPolarHBondContact CG-OD2 3.47Å; K25-D303 PolarHBondContact NZ-O 3.34Å |
| 26 | G | 89.6 | Confident | 92.7 | Very high | 22 Ų | 22 | 78 Ų | 78 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 18.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | W24 D303 | W24-G26 PolarHBondContact O-N 3.04Å; G26-D303 PolarHBondContact N-OD2 2.96Å |
| 27 | S | 93.9 | Very high | 92.8 | Very high | 12 Ų | 12 | 81.6 Ų | 81.6 | 8% | 0.084 | 37% | 0.372 | C | S | . | . | trans | -93.4 | 149.9 | -171.9 | 75.1 | 0 | 0 | 0 | 0 | 114 | R23 W24 K25 Y29 K30 L31 | R23-S27 WeakPolarHBondContact O-CB 3.25Å; W24-S27 WeakPolarHBondContact O-CB 3.15Å; W24-S27 PolarHBondContact O-N 2.86Å; W24-S27 PolarHBondContact O-OG 3.37Å; K25-S27 PolarHBondContact O-N 3.39Å; S27-Y29 PolarHBondContact O-N 2.74Å; S27-Y29 VanDerWaalsContact O-N 3.16Å; S27-Y29 PolarHBondContact OG-N 2.84Å; S27-K30 PolarHBondContact O-N 2.98Å; S27-K30 VanDerWaalsContact O-N 3.08Å; S27-K30 PolarHBondContact OG-N 2.96Å; S27-K30 VanDerWaalsContact OG-N 3.15Å; S27-L31 PolarHBondContact O-N 3.3Å; S27-L31 VanDerWaalsContact O-N 3.08Å | ||
| 28 | I | 93.9 | Very high | 93.1 | Very high | 62 Ų | 62 | 79.1 Ų | 79.1 | 32% | 0.318 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -50.4 | -33.5 | 167.3 | -170.6 | 164.5 | 0 | 0 | 0 | 112.8 | L31 L32 | I28-L31 PolarHBondContact O-N 3.17Å; I28-L32 HydrophobicContact CD1-CD1 4.3Å; I28-L32 HydrophobicContact CG1-CD1 3.66Å; I28-L32 HydrophobicContact CG1-CG 4.3Å; I28-L32 VanDerWaalsContact O-CB 3.3Å; I28-L32 WeakPolarHBondContact O-CB 3.43Å; I28-L32 WeakPolarHBondContact O-CG 3.49Å; I28-L32 PolarHBondContact O-N 2.69Å |
| 29 | Y | 93.8 | Very high | 93.3 | Very high | 77 Ų | 77 | 73.5 Ų | 73.5 | 30% | 0.302 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.1 | -43.6 | 178.1 | -46.7 | -74.8 | 0 | 0 | 0 | 112 | L21 S27 L31 L32 Y33 F283 | L21-Y29 VanDerWaalsContact O-CE2 3.23Å; L21-Y29 WeakPolarHBondContact O-CE2 3.46Å; L21-Y29 PolarHBondContact O-OH 3.18Å; S27-Y29 PolarHBondContact O-N 2.74Å; S27-Y29 VanDerWaalsContact O-N 3.16Å; S27-Y29 PolarHBondContact OG-N 2.84Å; Y29-L31 VanDerWaalsContact C-N 3.25Å; Y29-L31 PolarHBondContact O-N 3.36Å; Y29-L32 PolarHBondContact O-N 2.87Å; Y29-Y33 WeakPolarHBondContact O-CB 3.41Å; Y29-Y33 PolarHBondContact O-N 3.25Å; Y29-F283 AromaticContact CD1-CE1 3.81Å; Y29-F283 HydrophobicContact CD1-CE1 3.81Å; Y29-F283 HydrophobicContact CD1-CZ 4.28Å; Y29-F283 HydrophobicContact CE1-CE1 4.1Å; Y29-F283 HydrophobicContact CE1-CZ 4.5Å |
| 30 | K | 94.2 | Very high | 93.5 | Very high | 84 Ų | 84 | 70.2 Ų | 70.2 | 37% | 0.365 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.9 | -29.2 | 175.3 | -175.2 | -179.9 | 165.7 | -179.6 | 0 | 111.9 | W24 S27 Y33 D303 | W24-K30 HydrophobicContact CD2-CB 4.39Å; W24-K30 HydrophobicContact CH2-CB 4.39Å; W24-K30 HydrophobicContact CZ2-CB 4.03Å; W24-K30 HydrophobicContact CZ2-CG 4.24Å; S27-K30 PolarHBondContact O-N 2.98Å; S27-K30 VanDerWaalsContact O-N 3.08Å; S27-K30 PolarHBondContact OG-N 2.96Å; S27-K30 VanDerWaalsContact OG-N 3.15Å; K30-Y33 VanDerWaalsContact O-CD1 3.23Å; K30-Y33 WeakPolarHBondContact O-CD1 3.44Å; K30-Y33 VanDerWaalsContact O-CE1 3.25Å; K30-Y33 WeakPolarHBondContact O-CE1 3.47Å; K30-D303 WeakPolarHBondContact CD-OD2 3.43Å; K30-D303 WeakPolarHBondContact CE-OD2 3.3Å; K30-D303 IonicContact NZ-OD1 3.03Å; K30-D303 PolarHBondContact NZ-OD1 3.34Å; K30-D303 IonicContact NZ-OD2 2.67Å; K30-D303 PolarHBondContact NZ-OD2 3.39Å |
| 31 | L | 93.1 | Very high | 93.7 | Very high | 37 Ų | 37 | 72.5 Ų | 72.5 | 19% | 0.194 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -80.9 | -22.6 | 176.2 | -71.2 | 163.3 | 0 | 0 | 0 | 114.4 | S27 I28 Y29 K290 | S27-L31 PolarHBondContact O-N 3.3Å; S27-L31 VanDerWaalsContact O-N 3.08Å; I28-L31 PolarHBondContact O-N 3.17Å; Y29-L31 VanDerWaalsContact C-N 3.25Å; Y29-L31 PolarHBondContact O-N 3.36Å; L31-K290 HydrophobicContact CB-CB 4.16Å; L31-K290 HydrophobicContact CB-CG 4.21Å; L31-K290 HydrophobicContact CD1-CB 4.5Å; L31-K290 VanDerWaalsContact O-CE 3.26Å; L31-K290 WeakPolarHBondContact O-CE 3.36Å |
| 32 | L | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -114.6 | -13.3 | -173.1 | -70.5 | 179.5 | 0 | 0 | 0 | 116.2 | I28 Y29 R34 E35 L36 F283 V286 K290 | I28-L32 HydrophobicContact CD1-CD1 4.3Å; I28-L32 HydrophobicContact CG1-CD1 3.66Å; I28-L32 HydrophobicContact CG1-CG 4.3Å; I28-L32 VanDerWaalsContact O-CB 3.3Å; I28-L32 WeakPolarHBondContact O-CB 3.43Å; I28-L32 WeakPolarHBondContact O-CG 3.49Å; I28-L32 PolarHBondContact O-N 2.69Å; Y29-L32 PolarHBondContact O-N 2.87Å; L32-R34 PolarHBondContact O-N 2.69Å; L32-R34 VanDerWaalsContact O-N 3.08Å; L32-E35 PolarHBondContact O-N 2.7Å; L32-L36 VanDerWaalsContact O-CB 3.23Å; L32-L36 WeakPolarHBondContact O-CB 3.39Å; L32-L36 PolarHBondContact O-N 2.94Å; L32-F283 HydrophobicContact CD1-CD1 3.69Å; L32-F283 HydrophobicContact CD1-CE1 4.23Å; L32-V286 HydrophobicContact CD2-CB 3.87Å; L32-V286 HydrophobicContact CD2-CG1 3.56Å; L32-K290 HydrophobicContact CD2-CG 3.57Å; L32-K290 HydrophobicContact CG-CG 4.34Å |
| 33 | Y | 93.8 | Very high | 93.9 | Very high | 94 Ų | 94 | 65.8 Ų | 65.8 | 37% | 0.369 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.8 | -31.5 | -168.7 | 73 | -81.3 | 0 | 0 | 0 | 113.9 | Y29 K30 I37 | Y29-Y33 WeakPolarHBondContact O-CB 3.41Å; Y29-Y33 PolarHBondContact O-N 3.25Å; K30-Y33 VanDerWaalsContact O-CD1 3.23Å; K30-Y33 WeakPolarHBondContact O-CD1 3.44Å; K30-Y33 VanDerWaalsContact O-CE1 3.25Å; K30-Y33 WeakPolarHBondContact O-CE1 3.47Å; Y33-I37 HydrophobicContact CD2-CD1 4.47Å; Y33-I37 WeakPolarHBondContact O-CB 3.29Å; Y33-I37 VanDerWaalsContact O-CD1 3.31Å; Y33-I37 WeakPolarHBondContact O-CD1 3.29Å; Y33-I37 WeakPolarHBondContact O-CG1 3.45Å; Y33-I37 PolarHBondContact O-N 2.72Å; Y33-I37 VanDerWaalsContact O-N 3.09Å |
| 34 | R | 94.6 | Very high | 93.9 | Very high | 162 Ų | 162 | 64.9 Ų | 64.9 | 61% | 0.611 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -71.3 | -52.4 | 179.1 | -61.8 | -179.8 | 176.5 | 176.3 | -2.2 | 110.9 | L32 L36 I37 I38 | L32-R34 PolarHBondContact O-N 2.69Å; L32-R34 VanDerWaalsContact O-N 3.08Å; R34-L36 VanDerWaalsContact C-N 3.31Å; R34-L36 PolarHBondContact O-N 2.87Å; R34-I37 PolarHBondContact O-N 3.31Å; R34-I38 VanDerWaalsContact O-CG1 3.3Å; R34-I38 WeakPolarHBondContact O-CG1 3.16Å; R34-I38 PolarHBondContact O-N 3.01Å |
| 35 | E | 94.6 | Very high | 93.9 | Very high | 54 Ų | 54 | 63.4 Ų | 63.4 | 25% | 0.252 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.5 | -37.7 | 179.3 | -65.2 | 82 | 171.3 | 0 | 0 | 111.3 | L32 I38 F39 F282 K290 | L32-E35 PolarHBondContact O-N 2.7Å; E35-I38 PolarHBondContact O-N 2.74Å; E35-F39 WeakPolarHBondContact O-CB 3.45Å; E35-F39 PolarHBondContact O-N 3.42Å; E35-F282 HydrophobicContact CB-CE1 4.38Å; E35-F282 HydrophobicContact CB-CZ 3.92Å; E35-F282 WeakPolarHBondContact O-CZ 3.47Å; E35-K290 WeakPolarHBondContact OE1-CE 3.4Å; E35-K290 IonicContact OE1-NZ 2.7Å; E35-K290 PolarHBondContact OE1-NZ 3.22Å |
| 36 | L | 94 | Very high | 93.8 | Very high | 36 Ų | 36 | 61.9 Ų | 61.9 | 19% | 0.188 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65 | -43.3 | 174.7 | -177.3 | 68.8 | 0 | 0 | 0 | 111.9 | L32 R34 F39 T40 L279 F282 F283 | L32-L36 VanDerWaalsContact O-CB 3.23Å; L32-L36 WeakPolarHBondContact O-CB 3.39Å; L32-L36 PolarHBondContact O-N 2.94Å; R34-L36 VanDerWaalsContact C-N 3.31Å; R34-L36 PolarHBondContact O-N 2.87Å; L36-F39 PolarHBondContact O-N 2.79Å; L36-T40 VanDerWaalsContact O-CB 3.24Å; L36-T40 WeakPolarHBondContact O-CB 3.39Å; L36-T40 PolarHBondContact O-N 3.15Å; L36-T40 PolarHBondContact O-OG1 2.99Å; L36-L279 HydrophobicContact CD1-CD2 4.08Å; L36-F282 HydrophobicContact CB-CE1 3.99Å; L36-F282 HydrophobicContact CD1-CD1 3.77Å; L36-F282 HydrophobicContact CD1-CE1 4.06Å; L36-F283 HydrophobicContact CD1-CE2 4.31Å; L36-F283 HydrophobicContact CD2-CE1 4.31Å; L36-F283 HydrophobicContact CD2-CE2 3.98Å; L36-F283 HydrophobicContact CD2-CZ 3.53Å |
| 37 | I | 95.4 | Very high | 93.8 | Very high | 103 Ų | 103 | 61.5 Ų | 61.5 | 53% | 0.528 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 174.4 | -73.4 | 165.7 | 0 | 0 | 0 | 110 | Y33 R34 T40 V41 | Y33-I37 HydrophobicContact CD2-CD1 4.47Å; Y33-I37 WeakPolarHBondContact O-CB 3.29Å; Y33-I37 VanDerWaalsContact O-CD1 3.31Å; Y33-I37 WeakPolarHBondContact O-CD1 3.29Å; Y33-I37 WeakPolarHBondContact O-CG1 3.45Å; Y33-I37 PolarHBondContact O-N 2.72Å; Y33-I37 VanDerWaalsContact O-N 3.09Å; R34-I37 PolarHBondContact O-N 3.31Å; I37-T40 PolarHBondContact O-N 2.83Å; I37-V41 HydrophobicContact CG2-CG2 4.33Å; I37-V41 WeakPolarHBondContact O-CB 3.46Å; I37-V41 VanDerWaalsContact O-CG2 3.28Å; I37-V41 WeakPolarHBondContact O-CG2 3.36Å; I37-V41 PolarHBondContact O-N 3.14Å |
| 38 | I | 96.1 | Very high | 93.5 | Very high | 102 Ų | 102 | 63.8 Ų | 63.8 | 52% | 0.523 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60 | -49.2 | 177.4 | -67.7 | 163.3 | 0 | 0 | 0 | 110.8 | R34 E35 T40 V41 L42 | R34-I38 VanDerWaalsContact O-CG1 3.3Å; R34-I38 WeakPolarHBondContact O-CG1 3.16Å; R34-I38 PolarHBondContact O-N 3.01Å; E35-I38 PolarHBondContact O-N 2.74Å; I38-T40 PolarHBondContact O-N 3.11Å; I38-V41 PolarHBondContact O-N 3.08Å; I38-L42 HydrophobicContact CG2-CD1 3.88Å; I38-L42 HydrophobicContact CG2-CG 4.48Å; I38-L42 WeakPolarHBondContact O-CB 3.32Å; I38-L42 VanDerWaalsContact O-CG 3.29Å; I38-L42 WeakPolarHBondContact O-CG 3.3Å; I38-L42 PolarHBondContact O-N 2.95Å |
| 39 | F | 95.4 | Very high | 93.2 | Very high | 14 Ų | 14 | 62 Ų | 62 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 177.8 | -179.3 | -97.8 | 0 | 0 | 0 | 112 | E35 L36 L42 Y43 F249 L253 T278 L279 F282 | E35-F39 WeakPolarHBondContact O-CB 3.45Å; E35-F39 PolarHBondContact O-N 3.42Å; L36-F39 PolarHBondContact O-N 2.79Å; F39-L42 PolarHBondContact O-N 3.27Å; F39-Y43 VanDerWaalsContact O-CB 3.31Å; F39-Y43 WeakPolarHBondContact O-CB 3.13Å; F39-Y43 PolarHBondContact O-N 3Å; F39-F249 HydrophobicContact CE2-CB 4.27Å; F39-F249 AromaticContact CE2-CD1 3.99Å; F39-F249 HydrophobicContact CE2-CD1 3.99Å; F39-F249 HydrophobicContact CZ-CD1 4.27Å; F39-L253 HydrophobicContact CD2-CD1 4.13Å; F39-L253 HydrophobicContact CE2-CB 4.4Å; F39-L253 HydrophobicContact CE2-CD1 3.95Å; F39-T278 HydrophobicContact CE1-CG2 4.31Å; F39-T278 HydrophobicContact CZ-CG2 4Å; F39-L279 HydrophobicContact CD1-CD2 4.03Å; F39-L279 HydrophobicContact CE1-CD2 4.06Å; F39-F282 HydrophobicContact CB-CD2 4.08Å; F39-F282 HydrophobicContact CB-CE2 3.51Å; F39-F282 HydrophobicContact CB-CZ 3.9Å; F39-F282 AromaticContact CD1-CD2 3.87Å; F39-F282 HydrophobicContact CD1-CD2 3.87Å; F39-F282 HydrophobicContact CD1-CE2 4.2Å; F39-F282 HydrophobicContact CD1-CG 4.39Å; F39-F282 AromaticContact CD2-CD2 3.87Å; F39-F282 HydrophobicContact CD2-CD2 3.87Å; F39-F282 AromaticContact CD2-CE2 3.79Å; F39-F282 HydrophobicContact CD2-CE2 3.79Å; F39-F282 HydrophobicContact CE1-CD2 4.28Å; F39-F282 HydrophobicContact CE2-CD2 4.28Å; F39-F282 AromaticContact CG-CD2 3.65Å; F39-F282 HydrophobicContact CG-CD2 3.65Å; F39-F282 AromaticContact CG-CE2 3.56Å; F39-F282 HydrophobicContact CG-CE2 3.56Å; F39-F282 HydrophobicContact CG-CZ 4.38Å; F39-F282 HydrophobicContact CZ-CD2 4.48Å |
| 40 | T | 93.8 | Very high | 92.8 | Very high | 38 Ų | 38 | 59.1 Ų | 59.1 | 23% | 0.233 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 179.7 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | L36 I37 I38 Y43 Y44 | L36-T40 VanDerWaalsContact O-CB 3.24Å; L36-T40 WeakPolarHBondContact O-CB 3.39Å; L36-T40 PolarHBondContact O-N 3.15Å; L36-T40 PolarHBondContact O-OG1 2.99Å; I37-T40 PolarHBondContact O-N 2.83Å; I38-T40 PolarHBondContact O-N 3.11Å; T40-Y43 PolarHBondContact O-N 2.91Å; T40-Y44 HydrophobicContact CG2-CD2 3.74Å; T40-Y44 HydrophobicContact CG2-CE2 3.64Å; T40-Y44 VanDerWaalsContact O-CD2 3.26Å; T40-Y44 WeakPolarHBondContact O-CD2 3.42Å; T40-Y44 PolarHBondContact O-N 2.72Å |
| 41 | V | 95.3 | Very high | 92 | Very high | 93 Ų | 93 | 58.4 Ų | 58.4 | 56% | 0.564 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.2 | -43.4 | 175.7 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | I37 I38 Y44 F45 | I37-V41 HydrophobicContact CG2-CG2 4.33Å; I37-V41 WeakPolarHBondContact O-CB 3.46Å; I37-V41 VanDerWaalsContact O-CG2 3.28Å; I37-V41 WeakPolarHBondContact O-CG2 3.36Å; I37-V41 PolarHBondContact O-N 3.14Å; I38-V41 PolarHBondContact O-N 3.08Å; V41-Y44 PolarHBondContact O-N 3.37Å; V41-F45 WeakPolarHBondContact O-CB 3.4Å; V41-F45 PolarHBondContact O-N 3.39Å |
| 42 | L | 95.1 | Very high | 90.5 | Very high | 76 Ų | 76 | 63 Ų | 63 | 40% | 0.398 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 176.3 | -70.6 | 172.9 | 0 | 0 | 0 | 112.1 | I38 F39 F45 F46 L253 | I38-L42 HydrophobicContact CG2-CD1 3.88Å; I38-L42 HydrophobicContact CG2-CG 4.48Å; I38-L42 WeakPolarHBondContact O-CB 3.32Å; I38-L42 VanDerWaalsContact O-CG 3.29Å; I38-L42 WeakPolarHBondContact O-CG 3.3Å; I38-L42 PolarHBondContact O-N 2.95Å; F39-L42 PolarHBondContact O-N 3.27Å; L42-F45 WeakPolarHBondContact O-CB 3.49Å; L42-F45 PolarHBondContact O-N 3.32Å; L42-F46 VanDerWaalsContact O-CD2 3.27Å; L42-F46 WeakPolarHBondContact O-CD2 3.48Å; L42-F46 PolarHBondContact O-N 2.85Å; L42-F46 VanDerWaalsContact O-N 3.12Å; L42-L253 HydrophobicContact CB-CD1 3.87Å; L42-L253 HydrophobicContact CB-CD2 4.1Å; L42-L253 HydrophobicContact CD1-CD2 4.48Å |
| 43 | Y | 94.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 72.7 Ų | 72.7 | 1% | 0.012 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.9 | -47.6 | 176.3 | -178.7 | -86.8 | 0 | 0 | 0 | 110.9 | F39 T40 F45 F46 S47 R256 Q257 F258 P275 | F39-Y43 VanDerWaalsContact O-CB 3.31Å; F39-Y43 WeakPolarHBondContact O-CB 3.13Å; F39-Y43 PolarHBondContact O-N 3Å; T40-Y43 PolarHBondContact O-N 2.91Å; Y43-F45 VanDerWaalsContact C-N 3.33Å; Y43-F45 PolarHBondContact O-N 2.99Å; Y43-F46 PolarHBondContact O-N 3.39Å; Y43-S47 WeakPolarHBondContact O-CB 3.37Å; Y43-S47 PolarHBondContact O-N 2.88Å; Y43-R256 VanDerWaalsContact CE2-O 3.26Å; Y43-R256 WeakPolarHBondContact CE2-O 3.35Å; Y43-R256 PolarHBondContact OH-O 3.47Å; Y43-Q257 VanDerWaalsContact CD2-NE2 3.3Å; Y43-Q257 HydrophobicContact CE2-CG 4.36Å; Y43-Q257 PolarHBondContact O-NE2 3.26Å; Y43-F258 WeakPolarHBondContact OH-CD2 3.33Å; Y43-P275 HydrophobicContact CD1-CG 3.97Å; Y43-P275 HydrophobicContact CD2-CG 4.21Å; Y43-P275 HydrophobicContact CE1-CB 4.34Å; Y43-P275 HydrophobicContact CE1-CG 3.6Å; Y43-P275 HydrophobicContact CE2-CB 4.18Å; Y43-P275 HydrophobicContact CE2-CG 3.84Å; Y43-P275 HydrophobicContact CG-CG 4.28Å |
| 44 | Y | 92.4 | Very high | 87.2 | Confident | 53 Ų | 53 | 74 Ų | 74 | 21% | 0.208 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.1 | -29.6 | 176.2 | -78.5 | -56.1 | 0 | 0 | 0 | 113.2 | T40 V41 S47 V48 Y273 L274 | T40-Y44 HydrophobicContact CG2-CD2 3.74Å; T40-Y44 HydrophobicContact CG2-CE2 3.64Å; T40-Y44 VanDerWaalsContact O-CD2 3.26Å; T40-Y44 WeakPolarHBondContact O-CD2 3.42Å; T40-Y44 PolarHBondContact O-N 2.72Å; V41-Y44 PolarHBondContact O-N 3.37Å; Y44-S47 PolarHBondContact O-N 3.25Å; Y44-V48 VanDerWaalsContact O-CB 3.31Å; Y44-V48 WeakPolarHBondContact O-CB 3.5Å; Y44-V48 VanDerWaalsContact O-CG2 3.24Å; Y44-V48 WeakPolarHBondContact O-CG2 3.38Å; Y44-V48 PolarHBondContact O-N 3.26Å; Y44-Y273 HydrophobicContact CD1-CE1 4.35Å; Y44-Y273 AromaticContact CE1-CD1 3.96Å; Y44-Y273 HydrophobicContact CE1-CD1 3.96Å; Y44-Y273 AromaticContact CE1-CE1 3.52Å; Y44-Y273 HydrophobicContact CE1-CE1 3.52Å; Y44-Y273 HydrophobicContact CE1-CE2 4.24Å; Y44-Y273 HydrophobicContact CE1-CG 4.49Å; Y44-Y273 AromaticContact CE1-CZ 3.69Å; Y44-Y273 VanDerWaalsContact CE1-O 3.28Å; Y44-Y273 WeakPolarHBondContact CE1-O 3.44Å; Y44-Y273 AromaticContact CZ-CE1 4Å; Y44-Y273 PolarHBondContact OH-O 3.49Å; Y44-Y273 VanDerWaalsContact OH-O 3.09Å; Y44-L274 WeakPolarHBondContact OH-CD1 3.35Å |
| 45 | F | 91.9 | Very high | 86.3 | Confident | 121 Ų | 121 | 68.4 Ų | 68.4 | 53% | 0.531 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60 | -50.7 | 171.1 | 171.3 | -97.3 | 0 | 0 | 0 | 111.3 | V41 L42 Y43 V48 V49 | V41-F45 WeakPolarHBondContact O-CB 3.4Å; V41-F45 PolarHBondContact O-N 3.39Å; L42-F45 WeakPolarHBondContact O-CB 3.49Å; L42-F45 PolarHBondContact O-N 3.32Å; Y43-F45 VanDerWaalsContact C-N 3.33Å; Y43-F45 PolarHBondContact O-N 2.99Å; F45-V48 PolarHBondContact O-N 2.98Å; F45-V49 HydrophobicContact CD2-CG2 4.48Å; F45-V49 HydrophobicContact CE1-CG2 4.3Å; F45-V49 HydrophobicContact CE2-CG2 4.15Å; F45-V49 HydrophobicContact CZ-CG2 4.05Å; F45-V49 WeakPolarHBondContact O-CB 3.42Å; F45-V49 VanDerWaalsContact O-CG2 3.28Å; F45-V49 WeakPolarHBondContact O-CG2 3.32Å; F45-V49 PolarHBondContact O-N 3.45Å |
| 46 | F | 90.4 | Very high | 85.8 | Confident | 56 Ų | 56 | 68.5 Ų | 68.5 | 25% | 0.246 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 176.1 | -77.2 | -69.7 | 0 | 0 | 0 | 112.5 | L42 Y43 V48 V49 Y50 F63 L253 | L42-F46 VanDerWaalsContact O-CD2 3.27Å; L42-F46 WeakPolarHBondContact O-CD2 3.48Å; L42-F46 PolarHBondContact O-N 2.85Å; L42-F46 VanDerWaalsContact O-N 3.12Å; Y43-F46 PolarHBondContact O-N 3.39Å; F46-V48 PolarHBondContact O-N 2.85Å; F46-V49 PolarHBondContact O-N 2.75Å; F46-Y50 PolarHBondContact O-N 3.24Å; F46-F63 HydrophobicContact CD1-CE2 4.27Å; F46-L253 HydrophobicContact CD2-CD2 4.15Å; F46-L253 HydrophobicContact CD2-CG 3.94Å; F46-L253 HydrophobicContact CE2-CD2 3.76Å; F46-L253 HydrophobicContact CE2-CG 4.04Å |
| 47 | S | 89.1 | Confident | 85.3 | Confident | 14 Ų | 14 | 71.4 Ų | 71.4 | 10% | 0.098 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 175.4 | -178 | 0 | 0 | 0 | 0 | 112.4 | Y43 Y44 Y50 S51 Q257 | Y43-S47 WeakPolarHBondContact O-CB 3.37Å; Y43-S47 PolarHBondContact O-N 2.88Å; Y44-S47 PolarHBondContact O-N 3.25Å; S47-Y50 PolarHBondContact O-N 3.49Å; S47-S51 WeakPolarHBondContact O-CB 3.39Å; S47-S51 PolarHBondContact O-N 3.23Å; S47-Q257 VanDerWaalsContact CA-OE1 3.31Å |
| 48 | V | 88.3 | Confident | 84.8 | Confident | 61 Ų | 61 | 74.4 Ų | 74.4 | 37% | 0.37 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.6 | -41.4 | 177 | 167.8 | 0 | 0 | 0 | 0 | 111.4 | Y44 F45 F46 Y50 S51 R52 | Y44-V48 VanDerWaalsContact O-CB 3.31Å; Y44-V48 WeakPolarHBondContact O-CB 3.5Å; Y44-V48 VanDerWaalsContact O-CG2 3.24Å; Y44-V48 WeakPolarHBondContact O-CG2 3.38Å; Y44-V48 PolarHBondContact O-N 3.26Å; F45-V48 PolarHBondContact O-N 2.98Å; F46-V48 PolarHBondContact O-N 2.85Å; V48-Y50 VanDerWaalsContact C-N 3.28Å; V48-Y50 PolarHBondContact O-N 3.21Å; V48-S51 PolarHBondContact O-N 3.41Å; V48-R52 HydrophobicContact CG1-CB 4.46Å; V48-R52 CarbonylContact O-C 3.49Å; V48-R52 WeakPolarHBondContact O-CA 3.19Å; V48-R52 PolarHBondContact O-N 3.02Å |
| 49 | V | 87.7 | Confident | 84.4 | Confident | 24 Ų | 24 | 73.9 Ų | 73.9 | 15% | 0.145 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.8 | -37.5 | 175.4 | 167.8 | 0 | 0 | 0 | 0 | 111.7 | F45 F46 L54 L55 | F45-V49 HydrophobicContact CD2-CG2 4.48Å; F45-V49 HydrophobicContact CE1-CG2 4.3Å; F45-V49 HydrophobicContact CE2-CG2 4.15Å; F45-V49 HydrophobicContact CZ-CG2 4.05Å; F45-V49 WeakPolarHBondContact O-CB 3.42Å; F45-V49 VanDerWaalsContact O-CG2 3.28Å; F45-V49 WeakPolarHBondContact O-CG2 3.32Å; F45-V49 PolarHBondContact O-N 3.45Å; F46-V49 PolarHBondContact O-N 2.75Å; V49-L54 HydrophobicContact CG1-CB 4.21Å; V49-L54 HydrophobicContact CG2-CD2 4.42Å; V49-L55 HydrophobicContact CG1-CD1 3.97Å; V49-L55 HydrophobicContact CG1-CG 4.01Å |
| 50 | Y | 84.5 | Confident | 84 | Confident | 17 Ų | 17 | 75.9 Ų | 75.9 | 7% | 0.067 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -72.4 | -48 | 173.4 | 178.6 | -110.6 | 0 | 0 | 0 | 113.5 | F46 S47 V48 K60 F63 E64 D260 | F46-Y50 PolarHBondContact O-N 3.24Å; S47-Y50 PolarHBondContact O-N 3.49Å; V48-Y50 VanDerWaalsContact C-N 3.28Å; V48-Y50 PolarHBondContact O-N 3.21Å; Y50-K60 HydrophobicContact CD2-CB 4.47Å; Y50-K60 HydrophobicContact CD2-CD 4.47Å; Y50-K60 HydrophobicContact CD2-CG 4.2Å; Y50-K60 HydrophobicContact CE2-CB 3.97Å; Y50-K60 HydrophobicContact CE2-CD 4.2Å; Y50-K60 HydrophobicContact CE2-CG 4.08Å; Y50-K60 WeakPolarHBondContact O-CE 3.44Å; Y50-K60 PolarHBondContact O-NZ 3.45Å; Y50-F63 HydrophobicContact CD2-CB 4.46Å; Y50-F63 AromaticContact CD2-CD1 3.43Å; Y50-F63 HydrophobicContact CD2-CD1 3.43Å; Y50-F63 VanDerWaalsContact CD2-CD1 3.43Å; Y50-F63 AromaticContact CD2-CE1 3.96Å; Y50-F63 HydrophobicContact CD2-CE1 3.96Å; Y50-F63 HydrophobicContact CD2-CG 4.18Å; Y50-F63 HydrophobicContact CE2-CD1 4.01Å; Y50-F63 AromaticContact CG-CD1 3.96Å; Y50-F63 HydrophobicContact CG-CD1 3.96Å; Y50-F63 AromaticContact CG-CE1 3.99Å; Y50-F63 HydrophobicContact CG-CE1 3.99Å; Y50-E64 HydrophobicContact CE2-CG 4.03Å; Y50-E64 WeakPolarHBondContact CE2-OE1 3.27Å; Y50-E64 PolarHBondContact OH-OE1 3.2Å; Y50-D260 WeakPolarHBondContact OH-CB 3.43Å; Y50-D260 PolarHBondContact OH-N 3.23Å |
| 51 | S | 76.8 | Confident | 83.7 | Confident | 68 Ų | 68 | 78.2 Ų | 78.2 | 48% | 0.476 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -78.2 | -50.8 | -172.5 | -175.3 | 0 | 0 | 0 | 0 | 112.6 | S47 V48 | S47-S51 WeakPolarHBondContact O-CB 3.39Å; S47-S51 PolarHBondContact O-N 3.23Å; V48-S51 PolarHBondContact O-N 3.41Å |
| 52 | R | 63.1 | Low | 83.5 | Confident | 133 Ų | 133 | 79.6 Ų | 79.6 | 50% | 0.502 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | 95.3 | -162 | -70 | -179.9 | 177.2 | 134.1 | -0.1 | 112.9 | V48 | V48-R52 HydrophobicContact CG1-CB 4.46Å; V48-R52 CarbonylContact O-C 3.49Å; V48-R52 WeakPolarHBondContact O-CA 3.19Å; V48-R52 PolarHBondContact O-N 3.02Å |
| 53 | F | 56.5 | Low | 83.3 | Confident | 204 Ų | 204 | 76.9 Ų | 76.9 | 90% | 0.895 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | 3.1 | 156 | -46.4 | -70.8 | 0 | 0 | 0 | 121.1 | ||
| 54 | L | 62.9 | Low | 83.2 | Confident | 123 Ų | 123 | 76.8 Ų | 76.8 | 64% | 0.644 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -104.9 | -46.7 | 174.3 | -85 | 87.2 | 0 | 0 | 0 | 115.7 | V49 | V49-L54 HydrophobicContact CG1-CB 4.21Å; V49-L54 HydrophobicContact CG2-CD2 4.42Å |
| 55 | L | 74.8 | Confident | 83.1 | Confident | 44 Ų | 44 | 80.9 Ų | 80.9 | 23% | 0.23 | 40% | 0.399 | C | S | . | . | trans | -89 | 127.6 | -173.2 | -66.3 | 171.2 | 0 | 0 | 0 | 112.7 | V49 Q59 K60 F63 | V49-L55 HydrophobicContact CG1-CD1 3.97Å; V49-L55 HydrophobicContact CG1-CG 4.01Å; L55-Q59 HydrophobicContact CB-CB 4.12Å; L55-Q59 HydrophobicContact CD2-CB 3.75Å; L55-K60 HydrophobicContact CB-CG 3.79Å; L55-K60 VanDerWaalsContact O-CE 3.25Å; L55-K60 WeakPolarHBondContact O-CE 3.43Å; L55-F63 HydrophobicContact CD1-CB 4.17Å; L55-F63 HydrophobicContact CD1-CD2 4.3Å; L55-F63 HydrophobicContact CD1-CG 4.24Å | ||
| 56 | S | 84.1 | Confident | 83.2 | Confident | 55 Ų | 55 | 78.9 Ų | 78.9 | 39% | 0.385 | 39% | 0.393 | S | S | . | . | trans | -67 | 163.4 | 170.3 | 83 | 0 | 0 | 0 | 0 | 111.7 | E58 Q59 K60 | S56-E58 PolarHBondContact O-N 3.33Å; S56-Q59 CarbonylContact O-C 3.58Å; S56-Q59 WeakPolarHBondContact O-CA 3.21Å; S56-Q59 PolarHBondContact O-N 3.37Å; S56-Q59 WeakPolarHBondContact OG-CG 3.41Å; S56-Q59 PolarHBondContact OG-N 2.94Å; S56-Q59 PolarHBondContact OG-OE1 3.46Å; S56-K60 WeakPolarHBondContact O-CG 3.41Å; S56-K60 PolarHBondContact O-N 3.12Å | ||
| 57 | S | 83.5 | Confident | 83.3 | Confident | 98 Ų | 98 | 76.2 Ų | 76.2 | 69% | 0.685 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -54.9 | -37.2 | -178.7 | -49.6 | 0 | 0 | 0 | 0 | 113.6 | R61 | S57-R61 VanDerWaalsContact O-CG 3.32Å; S57-R61 WeakPolarHBondContact O-CG 3.45Å; S57-R61 PolarHBondContact O-N 2.98Å |
| 58 | E | 85.3 | Confident | 83.4 | Confident | 165 Ų | 165 | 78.3 Ų | 78.3 | 77% | 0.771 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -70.2 | -40 | 175.3 | -61.2 | -174.1 | 152.4 | 0 | 0 | 112.1 | S56 R61 L62 | S56-E58 PolarHBondContact O-N 3.33Å; E58-R61 PolarHBondContact O-N 2.75Å; E58-L62 PolarHBondContact O-N 2.74Å; E58-L62 VanDerWaalsContact O-N 3.09Å |
| 59 | Q | 86.8 | Confident | 83.6 | Confident | 92 Ų | 92 | 81.6 Ų | 81.6 | 43% | 0.43 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.6 | -32.7 | 178.2 | -64.4 | 171.7 | -35 | 0 | 0 | 112 | L55 S56 L62 F63 | L55-Q59 HydrophobicContact CB-CB 4.12Å; L55-Q59 HydrophobicContact CD2-CB 3.75Å; S56-Q59 CarbonylContact O-C 3.58Å; S56-Q59 WeakPolarHBondContact O-CA 3.21Å; S56-Q59 PolarHBondContact O-N 3.37Å; S56-Q59 WeakPolarHBondContact OG-CG 3.41Å; S56-Q59 PolarHBondContact OG-N 2.94Å; S56-Q59 PolarHBondContact OG-OE1 3.46Å; Q59-L62 WeakPolarHBondContact O-CB 3.31Å; Q59-L62 PolarHBondContact O-N 3.28Å; Q59-F63 PolarHBondContact O-N 3.31Å |
| 60 | K | 87.4 | Confident | 83.8 | Confident | 56 Ų | 56 | 81.3 Ų | 81.3 | 24% | 0.243 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 170.3 | -69 | -166.5 | -173.2 | -149 | 0 | 111.3 | Y50 L55 S56 L62 F63 E64 | Y50-K60 HydrophobicContact CD2-CB 4.47Å; Y50-K60 HydrophobicContact CD2-CD 4.47Å; Y50-K60 HydrophobicContact CD2-CG 4.2Å; Y50-K60 HydrophobicContact CE2-CB 3.97Å; Y50-K60 HydrophobicContact CE2-CD 4.2Å; Y50-K60 HydrophobicContact CE2-CG 4.08Å; Y50-K60 WeakPolarHBondContact O-CE 3.44Å; Y50-K60 PolarHBondContact O-NZ 3.45Å; L55-K60 HydrophobicContact CB-CG 3.79Å; L55-K60 VanDerWaalsContact O-CE 3.25Å; L55-K60 WeakPolarHBondContact O-CE 3.43Å; S56-K60 WeakPolarHBondContact O-CG 3.41Å; S56-K60 PolarHBondContact O-N 3.12Å; K60-L62 PolarHBondContact O-N 3.43Å; K60-F63 WeakPolarHBondContact O-CB 3.27Å; K60-F63 PolarHBondContact O-N 3.38Å; K60-F63 VanDerWaalsContact O-N 3.08Å; K60-E64 WeakPolarHBondContact O-CB 3.2Å; K60-E64 VanDerWaalsContact O-CG 3.3Å; K60-E64 WeakPolarHBondContact O-CG 3.48Å; K60-E64 PolarHBondContact O-N 2.82Å |
| 61 | R | 88.9 | Confident | 84.1 | Confident | 87 Ų | 87 | 82 Ų | 82 | 33% | 0.328 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.2 | -24.9 | 173.7 | -65.3 | -77.4 | 172.9 | -81.4 | -8.6 | 113.6 | S57 E58 E64 K65 | S57-R61 VanDerWaalsContact O-CG 3.32Å; S57-R61 WeakPolarHBondContact O-CG 3.45Å; S57-R61 PolarHBondContact O-N 2.98Å; E58-R61 PolarHBondContact O-N 2.75Å; R61-E64 WeakPolarHBondContact CA-OE2 3.47Å; R61-E64 WeakPolarHBondContact CD-OE2 3.42Å; R61-E64 IonicContact CZ-OE2 2.72Å; R61-E64 IonicContact NE-OE2 2.69Å; R61-E64 VanDerWaalsContact NH1-CD 3.26Å; R61-E64 IonicContact NH1-OE1 2.71Å; R61-E64 PolarHBondContact NH1-OE1 3.38Å; R61-E64 IonicContact NH1-OE2 3.84Å; R61-E64 PolarHBondContact NH1-OE2 3.29Å; R61-K65 WeakPolarHBondContact O-CD 3.25Å; R61-K65 VanDerWaalsContact O-CG 3.3Å; R61-K65 WeakPolarHBondContact O-CG 3.2Å |
| 62 | L | 90.1 | Very high | 84.7 | Confident | 121 Ų | 121 | 86.7 Ų | 86.7 | 63% | 0.634 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -78.8 | -40.7 | 170.6 | -175.3 | 62.8 | 0 | 0 | 0 | 111.8 | E58 Q59 K60 K65 L66 | E58-L62 PolarHBondContact O-N 2.74Å; E58-L62 VanDerWaalsContact O-N 3.09Å; Q59-L62 WeakPolarHBondContact O-CB 3.31Å; Q59-L62 PolarHBondContact O-N 3.28Å; K60-L62 PolarHBondContact O-N 3.43Å; L62-K65 PolarHBondContact O-N 3.01Å; L62-L66 PolarHBondContact O-N 3.02Å |
| 63 | F | 91.4 | Very high | 85.8 | Confident | 20 Ų | 20 | 86.3 Ų | 86.3 | 9% | 0.088 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 176.4 | -174.5 | -94.6 | 0 | 0 | 0 | 112.4 | F46 Y50 L55 Q59 K60 K65 L66 S67 I254 Q257 | F46-F63 HydrophobicContact CD1-CE2 4.27Å; Y50-F63 HydrophobicContact CD2-CB 4.46Å; Y50-F63 AromaticContact CD2-CD1 3.43Å; Y50-F63 HydrophobicContact CD2-CD1 3.43Å; Y50-F63 VanDerWaalsContact CD2-CD1 3.43Å; Y50-F63 AromaticContact CD2-CE1 3.96Å; Y50-F63 HydrophobicContact CD2-CE1 3.96Å; Y50-F63 HydrophobicContact CD2-CG 4.18Å; Y50-F63 HydrophobicContact CE2-CD1 4.01Å; Y50-F63 AromaticContact CG-CD1 3.96Å; Y50-F63 HydrophobicContact CG-CD1 3.96Å; Y50-F63 AromaticContact CG-CE1 3.99Å; Y50-F63 HydrophobicContact CG-CE1 3.99Å; L55-F63 HydrophobicContact CD1-CB 4.17Å; L55-F63 HydrophobicContact CD1-CD2 4.3Å; L55-F63 HydrophobicContact CD1-CG 4.24Å; Q59-F63 PolarHBondContact O-N 3.31Å; K60-F63 WeakPolarHBondContact O-CB 3.27Å; K60-F63 PolarHBondContact O-N 3.38Å; K60-F63 VanDerWaalsContact O-N 3.08Å; F63-K65 VanDerWaalsContact C-N 3.35Å; F63-K65 PolarHBondContact O-N 3.23Å; F63-L66 CarbonylContact O-C 3.6Å; F63-L66 WeakPolarHBondContact O-CB 3.41Å; F63-L66 PolarHBondContact O-N 2.99Å; F63-L66 VanDerWaalsContact O-N 3.12Å; F63-S67 PolarHBondContact O-N 2.78Å; F63-I254 HydrophobicContact CE2-CG2 4.29Å; F63-I254 HydrophobicContact CZ-CG2 4.46Å; F63-Q257 HydrophobicContact CE1-CB 4.16Å; F63-Q257 HydrophobicContact CE1-CG 4.34Å; F63-Q257 HydrophobicContact CZ-CB 4.41Å; F63-Q257 HydrophobicContact CZ-CG 4.08Å |
| 64 | E | 90.9 | Very high | 87.3 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 174.5 | -73 | 147.8 | -163.6 | 0 | 0 | 111.4 | Y50 K60 R61 L66 S67 I68 L259 Y265 | Y50-E64 HydrophobicContact CE2-CG 4.03Å; Y50-E64 WeakPolarHBondContact CE2-OE1 3.27Å; Y50-E64 PolarHBondContact OH-OE1 3.2Å; K60-E64 WeakPolarHBondContact O-CB 3.2Å; K60-E64 VanDerWaalsContact O-CG 3.3Å; K60-E64 WeakPolarHBondContact O-CG 3.48Å; K60-E64 PolarHBondContact O-N 2.82Å; R61-E64 WeakPolarHBondContact CA-OE2 3.47Å; R61-E64 WeakPolarHBondContact CD-OE2 3.42Å; R61-E64 IonicContact CZ-OE2 2.72Å; R61-E64 IonicContact NE-OE2 2.69Å; R61-E64 VanDerWaalsContact NH1-CD 3.26Å; R61-E64 IonicContact NH1-OE1 2.71Å; R61-E64 PolarHBondContact NH1-OE1 3.38Å; R61-E64 IonicContact NH1-OE2 3.84Å; R61-E64 PolarHBondContact NH1-OE2 3.29Å; E64-L66 PolarHBondContact O-N 3.12Å; E64-S67 PolarHBondContact O-N 3Å; E64-I68 WeakPolarHBondContact O-CG1 3.46Å; E64-I68 PolarHBondContact O-N 2.7Å; E64-I68 VanDerWaalsContact O-N 3.08Å; E64-L259 HydrophobicContact CB-CD1 4.15Å; E64-L259 HydrophobicContact CB-CD2 4.44Å; E64-L259 HydrophobicContact CG-CB 4.42Å; E64-L259 HydrophobicContact CG-CD1 4.14Å; E64-L259 HydrophobicContact CG-CD2 3.88Å; E64-L259 HydrophobicContact CG-CG 4.36Å; E64-Y265 HydrophobicContact CB-CE2 3.83Å; E64-Y265 HydrophobicContact CG-CE2 3.98Å |
| 65 | K | 91.3 | Very high | 88.1 | Confident | 139 Ų | 139 | 77.7 Ų | 77.7 | 60% | 0.604 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64 | -37.7 | 173.4 | -71 | 170.6 | -175.5 | 174.8 | 0 | 112.6 | R61 L62 F63 Y69 | R61-K65 WeakPolarHBondContact O-CD 3.25Å; R61-K65 VanDerWaalsContact O-CG 3.3Å; R61-K65 WeakPolarHBondContact O-CG 3.2Å; L62-K65 PolarHBondContact O-N 3.01Å; F63-K65 VanDerWaalsContact C-N 3.35Å; F63-K65 PolarHBondContact O-N 3.23Å; K65-Y69 WeakPolarHBondContact O-CB 3.18Å; K65-Y69 PolarHBondContact O-N 2.82Å |
| 66 | L | 92.8 | Very high | 88.2 | Confident | 79 Ų | 79 | 81.7 Ų | 81.7 | 41% | 0.414 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.5 | -39.4 | 176.4 | -177 | 64.4 | 0 | 0 | 0 | 111.7 | L62 F63 E64 Y69 C70 I254 | L62-L66 PolarHBondContact O-N 3.02Å; F63-L66 CarbonylContact O-C 3.6Å; F63-L66 WeakPolarHBondContact O-CB 3.41Å; F63-L66 PolarHBondContact O-N 2.99Å; F63-L66 VanDerWaalsContact O-N 3.12Å; E64-L66 PolarHBondContact O-N 3.12Å; L66-Y69 WeakPolarHBondContact O-CB 3.31Å; L66-Y69 PolarHBondContact O-N 2.83Å; L66-C70 WeakPolarHBondContact O-CB 3.31Å; L66-C70 PolarHBondContact O-N 3Å; L66-C70 PolarHBondContact O-SG 2.91Å; L66-C70 VanDerWaalsContact O-SG 3.38Å; L66-I254 HydrophobicContact CD2-CG2 4.19Å; L66-I254 HydrophobicContact CG-CG2 4.07Å |
| 67 | S | 92.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 81.6 Ų | 81.6 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.6 | -55.1 | 174.2 | -174.4 | 0 | 0 | 0 | 0 | 110.6 | F63 E64 Y69 C70 D71 I254 G255 | F63-S67 PolarHBondContact O-N 2.78Å; E64-S67 PolarHBondContact O-N 3Å; S67-Y69 PolarHBondContact O-N 3.3Å; S67-C70 PolarHBondContact O-N 3.36Å; S67-C70 VanDerWaalsContact O-N 3.08Å; S67-D71 WeakPolarHBondContact O-CB 3.38Å; S67-D71 PolarHBondContact O-N 2.78Å; S67-I254 PolarHBondContact OG-O 2.99Å; S67-I254 VanDerWaalsContact OG-O 3.08Å; S67-G255 VanDerWaalsContact O-CA 3.3Å; S67-G255 WeakPolarHBondContact O-CA 3.27Å; S67-G255 WeakPolarHBondContact OG-CA 3.31Å; S67-G255 PolarHBondContact OG-O 2.92Å |
| 68 | I | 91.4 | Very high | 88 | Confident | 57 Ų | 57 | 81.2 Ų | 81.2 | 29% | 0.292 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.5 | -32.4 | 178.5 | -64.3 | 163.8 | 0 | 0 | 0 | 111.9 | E64 R72 L259 Y265 | E64-I68 WeakPolarHBondContact O-CG1 3.46Å; E64-I68 PolarHBondContact O-N 2.7Å; E64-I68 VanDerWaalsContact O-N 3.08Å; I68-R72 WeakPolarHBondContact O-CG 3.5Å; I68-R72 PolarHBondContact O-N 3.41Å; I68-L259 HydrophobicContact CD1-CD1 4.36Å; I68-L259 HydrophobicContact CG1-CD1 4.26Å; I68-Y265 HydrophobicContact CD1-CD1 3.82Å; I68-Y265 HydrophobicContact CD1-CE1 4.19Å; I68-Y265 HydrophobicContact CD1-CG 4.04Å |
| 69 | Y | 92.1 | Very high | 88.1 | Confident | 131 Ų | 131 | 73.5 Ų | 73.5 | 51% | 0.514 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.9 | -51.6 | 172.2 | 178.8 | -91 | 0 | 0 | 0 | 111.7 | K65 L66 S67 D71 R72 Y73 | K65-Y69 WeakPolarHBondContact O-CB 3.18Å; K65-Y69 PolarHBondContact O-N 2.82Å; L66-Y69 WeakPolarHBondContact O-CB 3.31Å; L66-Y69 PolarHBondContact O-N 2.83Å; S67-Y69 PolarHBondContact O-N 3.3Å; Y69-D71 VanDerWaalsContact C-N 3.35Å; Y69-D71 PolarHBondContact O-N 2.82Å; Y69-R72 PolarHBondContact O-N 3.44Å; Y69-Y73 HydrophobicContact CD1-CD2 4.26Å; Y69-Y73 HydrophobicContact CD2-CD2 4.42Å; Y69-Y73 HydrophobicContact CD2-CE2 4.14Å; Y69-Y73 AromaticContact CE1-CD2 3.9Å; Y69-Y73 HydrophobicContact CE1-CD2 3.9Å; Y69-Y73 AromaticContact CE1-CE2 3.94Å; Y69-Y73 HydrophobicContact CE1-CE2 3.94Å; Y69-Y73 HydrophobicContact CE2-CD2 4.09Å; Y69-Y73 AromaticContact CE2-CE2 3.47Å; Y69-Y73 HydrophobicContact CE2-CE2 3.47Å; Y69-Y73 VanDerWaalsContact CE2-CE2 3.47Å; Y69-Y73 HydrophobicContact CG-CD2 4.5Å; Y69-Y73 AromaticContact CZ-CD2 3.81Å; Y69-Y73 AromaticContact CZ-CE2 3.34Å; Y69-Y73 WeakPolarHBondContact O-CD2 3.45Å; Y69-Y73 PolarHBondContact O-N 3.34Å; Y69-Y73 WeakPolarHBondContact OH-CE2 3.47Å |
| 70 | C | 93 | Very high | 88.3 | Confident | 18 Ų | 18 | 71.6 Ų | 71.6 | 12% | 0.122 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.3 | -39 | -180 | -74.5 | 0 | 0 | 0 | 0 | 112.8 | L66 S67 Y73 A74 I254 | L66-C70 WeakPolarHBondContact O-CB 3.31Å; L66-C70 PolarHBondContact O-N 3Å; L66-C70 PolarHBondContact O-SG 2.91Å; L66-C70 VanDerWaalsContact O-SG 3.38Å; S67-C70 PolarHBondContact O-N 3.36Å; S67-C70 VanDerWaalsContact O-N 3.08Å; C70-Y73 PolarHBondContact O-N 3.16Å; C70-A74 PolarHBondContact O-N 3.48Å; C70-I254 HydrophobicContact CB-CB 4.35Å |
| 71 | D | 90.9 | Very high | 88.5 | Confident | 32 Ų | 32 | 75.4 Ų | 75.4 | 17% | 0.171 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.7 | -49.8 | 178.7 | -173.7 | 36.7 | 0 | 0 | 0 | 111.9 | S67 Y69 Y73 A74 E75 R256 | S67-D71 WeakPolarHBondContact O-CB 3.38Å; S67-D71 PolarHBondContact O-N 2.78Å; Y69-D71 VanDerWaalsContact C-N 3.35Å; Y69-D71 PolarHBondContact O-N 2.82Å; D71-Y73 VanDerWaalsContact C-N 3.26Å; D71-Y73 PolarHBondContact O-N 2.92Å; D71-A74 WeakPolarHBondContact O-CB 3.45Å; D71-A74 PolarHBondContact O-N 3.29Å; D71-E75 PolarHBondContact O-N 2.82Å; D71-R256 IonicContact OD1-CZ 3.2Å; D71-R256 IonicContact OD1-NE 3.46Å; D71-R256 PolarHBondContact OD1-NE 3.49Å; D71-R256 IonicContact OD1-NH2 3.63Å; D71-R256 PolarHBondContact OD1-NH2 3.45Å |
| 72 | R | 89.4 | Confident | 88.6 | Confident | 166 Ų | 166 | 73 Ų | 73 | 63% | 0.626 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -56.9 | -39.3 | 174.6 | -70.6 | 177.9 | 66.2 | -164.6 | -0.9 | 112.3 | I68 Y69 E75 L76 | I68-R72 WeakPolarHBondContact O-CG 3.5Å; I68-R72 PolarHBondContact O-N 3.41Å; Y69-R72 PolarHBondContact O-N 3.44Å; R72-E75 PolarHBondContact O-N 3.4Å; R72-L76 VanDerWaalsContact O-CD1 3.22Å; R72-L76 WeakPolarHBondContact O-CD1 3.46Å |
| 73 | Y | 86.3 | Confident | 88.8 | Confident | 124 Ų | 124 | 67.3 Ų | 67.3 | 49% | 0.486 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -71.8 | -27.9 | 176.1 | -88.2 | -91.2 | 0 | 0 | 0 | 113.2 | Y69 C70 D71 L76 I77 | Y69-Y73 HydrophobicContact CD1-CD2 4.26Å; Y69-Y73 HydrophobicContact CD2-CD2 4.42Å; Y69-Y73 HydrophobicContact CD2-CE2 4.14Å; Y69-Y73 AromaticContact CE1-CD2 3.9Å; Y69-Y73 HydrophobicContact CE1-CD2 3.9Å; Y69-Y73 AromaticContact CE1-CE2 3.94Å; Y69-Y73 HydrophobicContact CE1-CE2 3.94Å; Y69-Y73 HydrophobicContact CE2-CD2 4.09Å; Y69-Y73 AromaticContact CE2-CE2 3.47Å; Y69-Y73 HydrophobicContact CE2-CE2 3.47Å; Y69-Y73 VanDerWaalsContact CE2-CE2 3.47Å; Y69-Y73 HydrophobicContact CG-CD2 4.5Å; Y69-Y73 AromaticContact CZ-CD2 3.81Å; Y69-Y73 AromaticContact CZ-CE2 3.34Å; Y69-Y73 WeakPolarHBondContact O-CD2 3.45Å; Y69-Y73 PolarHBondContact O-N 3.34Å; Y69-Y73 WeakPolarHBondContact OH-CE2 3.47Å; C70-Y73 PolarHBondContact O-N 3.16Å; D71-Y73 VanDerWaalsContact C-N 3.26Å; D71-Y73 PolarHBondContact O-N 2.92Å; Y73-L76 PolarHBondContact O-N 3.01Å; Y73-I77 WeakPolarHBondContact O-CG1 3.35Å |
| 74 | A | 87.6 | Confident | 88.9 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.008 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.7 | -38 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C70 D71 L76 F248 A251 | C70-A74 PolarHBondContact O-N 3.48Å; D71-A74 WeakPolarHBondContact O-CB 3.45Å; D71-A74 PolarHBondContact O-N 3.29Å; A74-L76 VanDerWaalsContact C-N 3.29Å; A74-L76 PolarHBondContact O-N 2.92Å; A74-F248 HydrophobicContact CB-CD2 4.2Å; A74-F248 HydrophobicContact CB-CE2 4.11Å; A74-F248 WeakPolarHBondContact O-CD2 3.05Å; A74-F248 WeakPolarHBondContact O-CE2 3.4Å; A74-A251 HydrophobicContact CB-CB 4.02Å |
| 75 | E | 79.1 | Confident | 89.1 | Confident | 146 Ų | 146 | 72.7 Ų | 72.7 | 68% | 0.682 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66 | -28.4 | 175.1 | -61.1 | -167.4 | 132.2 | 0 | 0 | 113.5 | D71 R72 | D71-E75 PolarHBondContact O-N 2.82Å; R72-E75 PolarHBondContact O-N 3.4Å |
| 76 | L | 77.8 | Confident | 89.3 | Confident | 127 Ų | 127 | 66.3 Ų | 66.3 | 67% | 0.665 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -11.9 | -176.7 | -98.1 | 75.3 | 0 | 0 | 0 | 114.6 | R72 Y73 A74 P78 | R72-L76 VanDerWaalsContact O-CD1 3.22Å; R72-L76 WeakPolarHBondContact O-CD1 3.46Å; Y73-L76 PolarHBondContact O-N 3.01Å; A74-L76 VanDerWaalsContact C-N 3.29Å; A74-L76 PolarHBondContact O-N 2.92Å; L76-P78 WeakPolarHBondContact O-CD 3.33Å |
| 77 | I | 77.2 | Confident | 89.5 | Confident | 53 Ų | 53 | 63 Ų | 63 | 27% | 0.272 | 30% | 0.304 | S | S | . | . | trans | -91.2 | 114.5 | -175.2 | -57.1 | 164.8 | 0 | 0 | 0 | 110.1 | Y73 V79 F248 | Y73-I77 WeakPolarHBondContact O-CG1 3.35Å; I77-V79 HydrophobicContact CB-CG2 4.19Å; I77-V79 HydrophobicContact CG2-CG2 3.54Å; I77-V79 PolarHBondContact O-N 3.44Å; I77-F248 HydrophobicContact CD1-CB 4.12Å | ||
| 78 | P | 84.8 | Confident | 89.7 | Confident | 91 Ų | 91 | 67.6 Ų | 67.6 | 59% | 0.591 | 33% | 0.332 | S | S | * | . | trans | -80.7 | 56.3 | -178.5 | 35.2 | -37.5 | 0 | 0 | 0 | 112.2 | L76 S80 F81 | L76-P78 WeakPolarHBondContact O-CD 3.33Å; P78-S80 VanDerWaalsContact C-N 3.26Å; P78-S80 PolarHBondContact O-N 3.46Å; P78-F81 HydrophobicContact CB-CB 4.48Å; P78-F81 WeakPolarHBondContact O-CB 3.4Å; P78-F81 PolarHBondContact O-N 3.25Å | ||
| 79 | V | 88.9 | Confident | 89.9 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.012 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -50.8 | -45.1 | -175 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | I77 F81 V82 L83 V245 F248 Y285 | I77-V79 HydrophobicContact CB-CG2 4.19Å; I77-V79 HydrophobicContact CG2-CG2 3.54Å; I77-V79 PolarHBondContact O-N 3.44Å; V79-F81 PolarHBondContact O-N 2.92Å; V79-F81 VanDerWaalsContact O-N 3.16Å; V79-V82 PolarHBondContact O-N 3.17Å; V79-L83 HydrophobicContact CG1-CD2 4.44Å; V79-L83 VanDerWaalsContact O-CB 3.24Å; V79-L83 WeakPolarHBondContact O-CB 3.27Å; V79-L83 PolarHBondContact O-N 2.82Å; V79-V245 HydrophobicContact CG1-CG2 3.68Å; V79-F248 HydrophobicContact CG2-CB 3.7Å; V79-F248 HydrophobicContact CG2-CD2 4.04Å; V79-F248 HydrophobicContact CG2-CG 3.84Å; V79-Y285 HydrophobicContact CB-CD1 4.17Å; V79-Y285 HydrophobicContact CB-CE1 4.03Å; V79-Y285 HydrophobicContact CG1-CD1 3.71Å; V79-Y285 HydrophobicContact CG1-CE1 4.08Å; V79-Y285 HydrophobicContact CG1-CG 4.35Å |
| 80 | S | 91.3 | Very high | 90.2 | Very high | 52 Ų | 52 | 62 Ų | 62 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -55.8 | -32 | -178.9 | -42.7 | 0 | 0 | 0 | 0 | 114.1 | P78 G84 Y285 | P78-S80 VanDerWaalsContact C-N 3.26Å; P78-S80 PolarHBondContact O-N 3.46Å; S80-G84 PolarHBondContact O-N 3.01Å; S80-Y285 WeakPolarHBondContact OG-CE1 3.46Å; S80-Y285 PolarHBondContact OG-OH 2.99Å |
| 81 | F | 91.4 | Very high | 90.3 | Very high | 137 Ų | 137 | 63.9 Ų | 63.9 | 60% | 0.601 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -72.3 | -56.7 | 179 | -177.4 | -82.7 | 0 | 0 | 0 | 110.2 | P78 V79 L83 G84 F85 | P78-F81 HydrophobicContact CB-CB 4.48Å; P78-F81 WeakPolarHBondContact O-CB 3.4Å; P78-F81 PolarHBondContact O-N 3.25Å; V79-F81 PolarHBondContact O-N 2.92Å; V79-F81 VanDerWaalsContact O-N 3.16Å; F81-L83 VanDerWaalsContact C-N 3.32Å; F81-L83 PolarHBondContact O-N 3.4Å; F81-G84 PolarHBondContact O-N 3.24Å; F81-F85 AromaticContact CD1-CD2 3.97Å; F81-F85 HydrophobicContact CD1-CD2 3.97Å; F81-F85 HydrophobicContact CD1-CE2 4.14Å; F81-F85 HydrophobicContact CD2-CD2 4.49Å; F81-F85 AromaticContact CD2-CE2 3.94Å; F81-F85 HydrophobicContact CD2-CE2 3.94Å; F81-F85 AromaticContact CE1-CD2 3.79Å; F81-F85 HydrophobicContact CE1-CD2 3.79Å; F81-F85 AromaticContact CE1-CE2 3.77Å; F81-F85 HydrophobicContact CE1-CE2 3.77Å; F81-F85 HydrophobicContact CE2-CD2 4.35Å; F81-F85 AromaticContact CE2-CE2 3.57Å; F81-F85 HydrophobicContact CE2-CE2 3.57Å; F81-F85 HydrophobicContact CE2-CZ 4.44Å; F81-F85 HydrophobicContact CG-CD2 4.31Å; F81-F85 HydrophobicContact CG-CE2 4.22Å; F81-F85 AromaticContact CZ-CD2 4Å; F81-F85 HydrophobicContact CZ-CD2 4Å; F81-F85 AromaticContact CZ-CE2 3.46Å; F81-F85 HydrophobicContact CZ-CE2 3.46Å; F81-F85 VanDerWaalsContact CZ-CE2 3.46Å; F81-F85 HydrophobicContact CZ-CZ 4.35Å; F81-F85 VanDerWaalsContact O-CD2 3.3Å; F81-F85 WeakPolarHBondContact O-CD2 3.41Å; F81-F85 PolarHBondContact O-N 3.11Å; F81-F85 VanDerWaalsContact O-N 3.14Å |
| 82 | V | 90.7 | Very high | 90.6 | Very high | 35 Ų | 35 | 66.1 Ų | 66.1 | 21% | 0.212 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | -178.4 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | V79 Y86 V240 A241 | V79-V82 PolarHBondContact O-N 3.17Å; V82-Y86 VanDerWaalsContact O-CB 3.3Å; V82-Y86 WeakPolarHBondContact O-CB 3.38Å; V82-Y86 PolarHBondContact O-N 3.36Å; V82-V240 HydrophobicContact CG1-CG1 4.18Å; V82-A241 HydrophobicContact CG1-CB 4.38Å |
| 83 | L | 93.4 | Very high | 91 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.5 | -38.8 | -179.5 | -167.8 | 56.8 | 0 | 0 | 0 | 111.8 | V79 F81 Y86 V87 V245 Y285 W288 L289 | V79-L83 HydrophobicContact CG1-CD2 4.44Å; V79-L83 VanDerWaalsContact O-CB 3.24Å; V79-L83 WeakPolarHBondContact O-CB 3.27Å; V79-L83 PolarHBondContact O-N 2.82Å; F81-L83 VanDerWaalsContact C-N 3.32Å; F81-L83 PolarHBondContact O-N 3.4Å; L83-Y86 PolarHBondContact O-N 2.95Å; L83-V87 HydrophobicContact CD1-CG2 3.84Å; L83-V87 HydrophobicContact CG-CG2 4.12Å; L83-V87 WeakPolarHBondContact O-CB 3.41Å; L83-V87 WeakPolarHBondContact O-CG2 3.38Å; L83-V87 PolarHBondContact O-N 3.48Å; L83-V245 HydrophobicContact CD1-CG2 4.38Å; L83-V245 HydrophobicContact CD2-CG2 4.18Å; L83-Y285 HydrophobicContact CD2-CD1 4.31Å; L83-Y285 WeakPolarHBondContact CD2-O 3.43Å; L83-W288 HydrophobicContact CB-CE3 4.42Å; L83-W288 HydrophobicContact CD2-CB 3.88Å; L83-W288 HydrophobicContact CD2-CD2 3.86Å; L83-W288 HydrophobicContact CD2-CE3 3.67Å; L83-W288 HydrophobicContact CD2-CG 3.97Å; L83-W288 HydrophobicContact CD2-CZ3 4.48Å; L83-W288 HydrophobicContact CG-CB 4.48Å; L83-W288 HydrophobicContact CG-CD2 3.9Å; L83-W288 HydrophobicContact CG-CE3 3.99Å; L83-W288 HydrophobicContact CG-CG 4.11Å; L83-L289 HydrophobicContact CD1-CB 4.1Å; L83-L289 HydrophobicContact CD1-CD1 3.94Å |
| 84 | G | 94.6 | Very high | 91.4 | Very high | 15 Ų | 15 | 55.5 Ų | 55.5 | 16% | 0.155 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S80 F81 T88 | S80-G84 PolarHBondContact O-N 3.01Å; F81-G84 PolarHBondContact O-N 3.24Å; G84-T88 VanDerWaalsContact O-CB 3.29Å; G84-T88 WeakPolarHBondContact O-CB 3.37Å; G84-T88 PolarHBondContact O-N 3.31Å; G84-T88 PolarHBondContact O-OG1 2.72Å |
| 85 | F | 94.5 | Very high | 91.8 | Very high | 120 Ų | 120 | 61.2 Ų | 61.2 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.7 | -37 | 177.2 | -75.9 | -75.8 | 0 | 0 | 0 | 112.5 | F81 L89 Y237 | F81-F85 AromaticContact CD1-CD2 3.97Å; F81-F85 HydrophobicContact CD1-CD2 3.97Å; F81-F85 HydrophobicContact CD1-CE2 4.14Å; F81-F85 HydrophobicContact CD2-CD2 4.49Å; F81-F85 AromaticContact CD2-CE2 3.94Å; F81-F85 HydrophobicContact CD2-CE2 3.94Å; F81-F85 AromaticContact CE1-CD2 3.79Å; F81-F85 HydrophobicContact CE1-CD2 3.79Å; F81-F85 AromaticContact CE1-CE2 3.77Å; F81-F85 HydrophobicContact CE1-CE2 3.77Å; F81-F85 HydrophobicContact CE2-CD2 4.35Å; F81-F85 AromaticContact CE2-CE2 3.57Å; F81-F85 HydrophobicContact CE2-CE2 3.57Å; F81-F85 HydrophobicContact CE2-CZ 4.44Å; F81-F85 HydrophobicContact CG-CD2 4.31Å; F81-F85 HydrophobicContact CG-CE2 4.22Å; F81-F85 AromaticContact CZ-CD2 4Å; F81-F85 HydrophobicContact CZ-CD2 4Å; F81-F85 AromaticContact CZ-CE2 3.46Å; F81-F85 HydrophobicContact CZ-CE2 3.46Å; F81-F85 VanDerWaalsContact CZ-CE2 3.46Å; F81-F85 HydrophobicContact CZ-CZ 4.35Å; F81-F85 VanDerWaalsContact O-CD2 3.3Å; F81-F85 WeakPolarHBondContact O-CD2 3.41Å; F81-F85 PolarHBondContact O-N 3.11Å; F81-F85 VanDerWaalsContact O-N 3.14Å; F85-L89 PolarHBondContact O-N 2.89Å; F85-L89 VanDerWaalsContact O-N 3.16Å; F85-Y237 VanDerWaalsContact C-OH 3.26Å; F85-Y237 WeakPolarHBondContact CB-OH 3.48Å |
| 86 | Y | 95.9 | Very high | 92.7 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 2% | 0.02 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.2 | -51.6 | 178.7 | 179.7 | -111.7 | 0 | 0 | 0 | 111.7 | V82 L83 T88 L89 V90 L233 Y237 T238 A241 L289 A292 | V82-Y86 VanDerWaalsContact O-CB 3.3Å; V82-Y86 WeakPolarHBondContact O-CB 3.38Å; V82-Y86 PolarHBondContact O-N 3.36Å; L83-Y86 PolarHBondContact O-N 2.95Å; Y86-T88 PolarHBondContact O-N 3.4Å; Y86-L89 PolarHBondContact O-N 3.28Å; Y86-V90 HydrophobicContact CE1-CG2 4.34Å; Y86-V90 HydrophobicContact CE2-CG2 4.37Å; Y86-V90 WeakPolarHBondContact O-CG2 3.4Å; Y86-V90 PolarHBondContact O-N 3.04Å; Y86-L233 HydrophobicContact CE2-CD1 3.94Å; Y86-Y237 HydrophobicContact CD2-CD1 4.05Å; Y86-Y237 HydrophobicContact CD2-CD2 4.31Å; Y86-Y237 HydrophobicContact CD2-CE1 4.06Å; Y86-Y237 HydrophobicContact CD2-CE2 4.31Å; Y86-Y237 HydrophobicContact CD2-CG 4.19Å; Y86-Y237 PolarHBondContact N-OH 3.4Å; Y86-T238 WeakPolarHBondContact CE2-OG1 3.36Å; Y86-T238 WeakPolarHBondContact OH-CB 3.31Å; Y86-T238 WeakPolarHBondContact OH-CG2 3.32Å; Y86-T238 PolarHBondContact OH-OG1 3.39Å; Y86-A241 HydrophobicContact CD1-CB 3.73Å; Y86-A241 HydrophobicContact CD2-CB 4.24Å; Y86-A241 HydrophobicContact CE1-CB 4.17Å; Y86-A241 HydrophobicContact CG-CB 3.78Å; Y86-L289 HydrophobicContact CE1-CD1 4.38Å; Y86-A292 HydrophobicContact CD1-CB 3.83Å; Y86-A292 HydrophobicContact CE1-CB 3.48Å; Y86-A292 VanDerWaalsContact CE1-CB 3.48Å |
| 87 | V | 96.6 | Very high | 93.5 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 6% | 0.055 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 179.3 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | L83 L89 V90 V91 W288 V291 A292 | L83-V87 HydrophobicContact CD1-CG2 3.84Å; L83-V87 HydrophobicContact CG-CG2 4.12Å; L83-V87 WeakPolarHBondContact O-CB 3.41Å; L83-V87 WeakPolarHBondContact O-CG2 3.38Å; L83-V87 PolarHBondContact O-N 3.48Å; V87-L89 VanDerWaalsContact C-N 3.31Å; V87-L89 PolarHBondContact O-N 3.22Å; V87-V90 PolarHBondContact O-N 3.22Å; V87-V91 HydrophobicContact CG1-CG2 4.19Å; V87-V91 WeakPolarHBondContact O-CG2 3.16Å; V87-V91 PolarHBondContact O-N 3.04Å; V87-W288 HydrophobicContact CG2-CG 4.37Å; V87-W288 WeakPolarHBondContact CG2-O 3.26Å; V87-V291 HydrophobicContact CG1-CG1 4.12Å; V87-A292 HydrophobicContact CG2-CB 3.82Å |
| 88 | T | 96.4 | Very high | 94.4 | Very high | 96 Ų | 96 | 50 Ų | 50 | 59% | 0.589 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60.2 | -40.7 | 176 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | G84 Y86 S92 | G84-T88 VanDerWaalsContact O-CB 3.29Å; G84-T88 WeakPolarHBondContact O-CB 3.37Å; G84-T88 PolarHBondContact O-N 3.31Å; G84-T88 PolarHBondContact O-OG1 2.72Å; Y86-T88 PolarHBondContact O-N 3.4Å; T88-S92 WeakPolarHBondContact O-CB 3.29Å; T88-S92 PolarHBondContact O-N 3.29Å |
| 89 | L | 96.2 | Very high | 94.9 | Very high | 68 Ų | 68 | 50.8 Ų | 50.8 | 36% | 0.356 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.1 | -38.8 | 176.6 | -177 | 63.7 | 0 | 0 | 0 | 112.1 | F85 Y86 V87 R93 L233 Y237 | F85-L89 PolarHBondContact O-N 2.89Å; F85-L89 VanDerWaalsContact O-N 3.16Å; Y86-L89 PolarHBondContact O-N 3.28Å; V87-L89 VanDerWaalsContact C-N 3.31Å; V87-L89 PolarHBondContact O-N 3.22Å; L89-R93 PolarHBondContact O-N 2.74Å; L89-L233 HydrophobicContact CD2-CD2 3.52Å; L89-L233 HydrophobicContact CG-CD2 3.89Å; L89-Y237 HydrophobicContact CD2-CD1 4.14Å; L89-Y237 HydrophobicContact CD2-CE1 3.74Å |
| 90 | V | 97.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.5 | -50.7 | 174 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | Y86 V87 S92 R93 W94 L233 A292 L295 | Y86-V90 HydrophobicContact CE1-CG2 4.34Å; Y86-V90 HydrophobicContact CE2-CG2 4.37Å; Y86-V90 WeakPolarHBondContact O-CG2 3.4Å; Y86-V90 PolarHBondContact O-N 3.04Å; V87-V90 PolarHBondContact O-N 3.22Å; V90-S92 VanDerWaalsContact C-N 3.29Å; V90-S92 PolarHBondContact O-N 3.42Å; V90-R93 PolarHBondContact O-N 2.86Å; V90-R93 VanDerWaalsContact O-N 3.14Å; V90-W94 WeakPolarHBondContact O-CB 3.34Å; V90-W94 PolarHBondContact O-N 3.01Å; V90-L233 HydrophobicContact CG2-CD1 3.5Å; V90-L233 VanDerWaalsContact CG2-CD1 3.5Å; V90-A292 HydrophobicContact CB-CB 4.39Å; V90-A292 HydrophobicContact CG2-CB 4.04Å; V90-L295 VanDerWaalsContact CG1-C 3.5Å; V90-L295 HydrophobicContact CG1-CB 3.69Å |
| 91 | V | 96.4 | Very high | 95.4 | Very high | 58 Ų | 58 | 49 Ų | 49 | 35% | 0.352 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.3 | -38.5 | 179.4 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | V87 W94 W95 L295 | V87-V91 HydrophobicContact CG1-CG2 4.19Å; V87-V91 WeakPolarHBondContact O-CG2 3.16Å; V87-V91 PolarHBondContact O-N 3.04Å; V91-W94 WeakPolarHBondContact O-CB 3.48Å; V91-W94 PolarHBondContact O-N 3.48Å; V91-W95 PolarHBondContact O-N 3.16Å; V91-L295 HydrophobicContact CG2-CD1 3.93Å |
| 92 | S | 96.9 | Very high | 95.5 | Very high | 79 Ų | 79 | 42.8 Ų | 42.8 | 55% | 0.552 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -62.7 | -45.7 | 174.1 | -179.6 | 0 | 0 | 0 | 0 | 112.5 | T88 V90 G96 | T88-S92 WeakPolarHBondContact O-CB 3.29Å; T88-S92 PolarHBondContact O-N 3.29Å; V90-S92 VanDerWaalsContact C-N 3.29Å; V90-S92 PolarHBondContact O-N 3.42Å; S92-G96 PolarHBondContact O-N 3.46Å |
| 93 | R | 96.7 | Very high | 95.7 | Very high | 43 Ų | 43 | 45.8 Ų | 45.8 | 16% | 0.162 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.2 | -36.4 | 173.9 | -76.5 | -179.7 | 58.3 | 109.3 | 2 | 113.1 | L89 V90 G96 Q97 Y228 I231 L233 | L89-R93 PolarHBondContact O-N 2.74Å; V90-R93 PolarHBondContact O-N 2.86Å; V90-R93 VanDerWaalsContact O-N 3.14Å; R93-G96 PolarHBondContact O-N 3.28Å; R93-Q97 WeakPolarHBondContact O-CG 3.43Å; R93-Q97 PolarHBondContact O-N 3.11Å; R93-Q97 PolarHBondContact O-NE2 3.27Å; R93-Q97 VanDerWaalsContact O-NE2 3.12Å; R93-Y228 HydrophobicContact CB-CE1 4.49Å; R93-Y228 HydrophobicContact CG-CE1 4.32Å; R93-Y228 PolarHBondContact NH2-O 2.84Å; R93-I231 VanDerWaalsContact CZ-O 3.25Å; R93-I231 PolarHBondContact NH1-O 3.01Å; R93-I231 PolarHBondContact NH2-O 3.19Å; R93-L233 VanDerWaalsContact CD-CD2 3.44Å |
| 94 | W | 96.4 | Very high | 95.8 | Very high | 25 Ų | 25 | 45.8 Ų | 45.8 | 10% | 0.095 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -49.2 | 177.3 | 170.9 | 82.8 | 0 | 0 | 0 | 111.3 | M1 V90 V91 Q97 F98 L295 P298 F306 | M1-W94 HydrophobicContact CB-CZ2 4.26Å; M1-W94 HydrophobicContact CG-CH2 4.16Å; M1-W94 HydrophobicContact CG-CZ2 3.97Å; M1-W94 HydrophobicContact SD-CH2 4.42Å; V90-W94 WeakPolarHBondContact O-CB 3.34Å; V90-W94 PolarHBondContact O-N 3.01Å; V91-W94 WeakPolarHBondContact O-CB 3.48Å; V91-W94 PolarHBondContact O-N 3.48Å; W94-Q97 PolarHBondContact O-N 3.38Å; W94-F98 PolarHBondContact O-N 2.89Å; W94-F98 VanDerWaalsContact O-N 3.12Å; W94-L295 HydrophobicContact CB-CB 4.31Å; W94-L295 HydrophobicContact CD2-CD2 4.24Å; W94-L295 HydrophobicContact CG-CB 4.23Å; W94-L295 HydrophobicContact CG-CD2 4.09Å; W94-P298 VanDerWaalsContact CD1-CB 3.46Å; W94-F306 AromaticContact CE2-CE1 3.99Å; W94-F306 AromaticContact CE2-CZ 4Å; W94-F306 HydrophobicContact CZ2-CE1 4.03Å; W94-F306 HydrophobicContact CZ2-CZ 4.46Å; W94-F306 AromaticContact NE1-CE1 3.74Å; W94-F306 AromaticContact NE1-CZ 3.57Å |
| 95 | W | 95.9 | Very high | 95.9 | Very high | 121 Ų | 121 | 47.8 Ų | 47.8 | 46% | 0.458 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.3 | -40.6 | 175.9 | -170.7 | -101.6 | 0 | 0 | 0 | 112.1 | V91 Q97 F98 E99 | V91-W95 PolarHBondContact O-N 3.16Å; W95-Q97 VanDerWaalsContact C-N 3.26Å; W95-Q97 PolarHBondContact O-N 2.7Å; W95-F98 HydrophobicContact CD2-CD1 4.4Å; W95-F98 AromaticContact CE3-CD1 3.96Å; W95-F98 HydrophobicContact CE3-CD1 3.96Å; W95-F98 AromaticContact CH2-CD1 3.73Å; W95-F98 HydrophobicContact CH2-CD1 3.73Å; W95-F98 AromaticContact CH2-CE1 3.74Å; W95-F98 HydrophobicContact CH2-CE1 3.74Å; W95-F98 HydrophobicContact CZ2-CD1 4.15Å; W95-F98 HydrophobicContact CZ2-CE1 4.37Å; W95-F98 AromaticContact CZ3-CD1 3.61Å; W95-F98 HydrophobicContact CZ3-CD1 3.61Å; W95-F98 AromaticContact CZ3-CE1 3.92Å; W95-F98 HydrophobicContact CZ3-CE1 3.92Å; W95-F98 HydrophobicContact CZ3-CG 4.43Å; W95-F98 WeakPolarHBondContact O-CB 3.46Å; W95-F98 PolarHBondContact O-N 3.36Å; W95-F98 VanDerWaalsContact O-N 3.08Å; W95-E99 VanDerWaalsContact NE1-CD 3.33Å; W95-E99 PolarHBondContact NE1-OE1 3.1Å; W95-E99 PolarHBondContact O-N 3.21Å |
| 96 | G | 96.3 | Very high | 96 | Very high | 7 Ų | 7 | 49 Ų | 49 | 7% | 0.072 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.3 | -33.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S92 R93 N100 | S92-G96 PolarHBondContact O-N 3.46Å; R93-G96 PolarHBondContact O-N 3.28Å; G96-N100 PolarHBondContact O-N 3.22Å; G96-N100 PolarHBondContact O-ND2 3.36Å |
| 97 | Q | 95.9 | Very high | 95.9 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.028 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.6 | -44.1 | 171.8 | -75.3 | 169.4 | 102.5 | 0 | 0 | 111.6 | R93 W94 W95 E99 N100 I101 Y228 F299 F306 | R93-Q97 WeakPolarHBondContact O-CG 3.43Å; R93-Q97 PolarHBondContact O-N 3.11Å; R93-Q97 PolarHBondContact O-NE2 3.27Å; R93-Q97 VanDerWaalsContact O-NE2 3.12Å; W94-Q97 PolarHBondContact O-N 3.38Å; W95-Q97 VanDerWaalsContact C-N 3.26Å; W95-Q97 PolarHBondContact O-N 2.7Å; Q97-E99 PolarHBondContact O-N 3.47Å; Q97-N100 PolarHBondContact O-N 2.83Å; Q97-I101 PolarHBondContact O-N 2.81Å; Q97-Y228 HydrophobicContact CG-CD1 4.03Å; Q97-Y228 HydrophobicContact CG-CD2 3.52Å; Q97-Y228 HydrophobicContact CG-CE2 4.12Å; Q97-Y228 HydrophobicContact CG-CG 3.48Å; Q97-Y228 VanDerWaalsContact CG-CG 3.48Å; Q97-F299 HydrophobicContact CB-CE2 4.08Å; Q97-F299 HydrophobicContact CB-CZ 4.33Å; Q97-F299 HydrophobicContact CG-CE2 4.25Å; Q97-F306 HydrophobicContact CB-CE2 4.42Å |
| 98 | F | 95.1 | Very high | 95.9 | Very high | 78 Ų | 78 | 48.5 Ų | 48.5 | 34% | 0.342 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.3 | -48.2 | 176.9 | 180 | -109.4 | 0 | 0 | 0 | 112.9 | W94 W95 N100 I101 F306 | W94-F98 PolarHBondContact O-N 2.89Å; W94-F98 VanDerWaalsContact O-N 3.12Å; W95-F98 HydrophobicContact CD2-CD1 4.4Å; W95-F98 AromaticContact CE3-CD1 3.96Å; W95-F98 HydrophobicContact CE3-CD1 3.96Å; W95-F98 AromaticContact CH2-CD1 3.73Å; W95-F98 HydrophobicContact CH2-CD1 3.73Å; W95-F98 AromaticContact CH2-CE1 3.74Å; W95-F98 HydrophobicContact CH2-CE1 3.74Å; W95-F98 HydrophobicContact CZ2-CD1 4.15Å; W95-F98 HydrophobicContact CZ2-CE1 4.37Å; W95-F98 AromaticContact CZ3-CD1 3.61Å; W95-F98 HydrophobicContact CZ3-CD1 3.61Å; W95-F98 AromaticContact CZ3-CE1 3.92Å; W95-F98 HydrophobicContact CZ3-CE1 3.92Å; W95-F98 HydrophobicContact CZ3-CG 4.43Å; W95-F98 WeakPolarHBondContact O-CB 3.46Å; W95-F98 PolarHBondContact O-N 3.36Å; W95-F98 VanDerWaalsContact O-N 3.08Å; F98-N100 PolarHBondContact O-N 2.93Å; F98-I101 HydrophobicContact CD2-CD1 3.81Å; F98-I101 HydrophobicContact CE2-CD1 4.38Å; F98-I101 VanDerWaalsContact O-CB 3.29Å; F98-I101 WeakPolarHBondContact O-CB 3.49Å; F98-I101 VanDerWaalsContact O-CG1 3.28Å; F98-I101 WeakPolarHBondContact O-CG1 3.46Å; F98-I101 PolarHBondContact O-N 3.36Å; F98-F306 HydrophobicContact CB-CE1 4.05Å; F98-F306 HydrophobicContact CB-CE2 4.41Å; F98-F306 HydrophobicContact CB-CZ 3.67Å; F98-F306 HydrophobicContact CD2-CD1 4.15Å; F98-F306 AromaticContact CD2-CE1 3.72Å; F98-F306 HydrophobicContact CD2-CE1 3.72Å; F98-F306 HydrophobicContact CD2-CZ 4.14Å; F98-F306 HydrophobicContact CG-CE1 4.27Å; F98-F306 HydrophobicContact CG-CZ 4.36Å |
| 99 | E | 95.6 | Very high | 95.9 | Very high | 106 Ų | 106 | 46.9 Ų | 46.9 | 50% | 0.495 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.5 | -28.1 | 179.8 | -69.2 | -176.5 | 157.7 | 0 | 0 | 113.3 | W95 Q97 K221 | W95-E99 VanDerWaalsContact NE1-CD 3.33Å; W95-E99 PolarHBondContact NE1-OE1 3.1Å; W95-E99 PolarHBondContact O-N 3.21Å; Q97-E99 PolarHBondContact O-N 3.47Å; E99-K221 PolarHBondContact O-NZ 2.84Å |
| 100 | N | 95.6 | Very high | 95.8 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 7% | 0.07 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 13 | -178.4 | -65.2 | -71.8 | 0 | 0 | 0 | 113.5 | G96 Q97 F98 P102 K221 K224 L225 | G96-N100 PolarHBondContact O-N 3.22Å; G96-N100 PolarHBondContact O-ND2 3.36Å; Q97-N100 PolarHBondContact O-N 2.83Å; F98-N100 PolarHBondContact O-N 2.93Å; N100-P102 WeakPolarHBondContact O-CD 3.32Å; N100-K221 WeakPolarHBondContact O-CB 3.39Å; N100-K224 HydrophobicContact CB-CB 4.07Å; N100-K224 HydrophobicContact CB-CD 4.15Å; N100-K224 WeakPolarHBondContact OD1-CD 3.41Å; N100-K224 PolarHBondContact OD1-NZ 3.41Å; N100-L225 HydrophobicContact CB-CD2 4.34Å; N100-L225 WeakPolarHBondContact O-CG 3.26Å |
| 101 | I | 95.5 | Very high | 95.7 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | trans | -59.2 | 125.6 | 160.8 | -70 | 177.6 | 0 | 0 | 0 | 109.6 | Q97 F98 Y141 K221 F306 L311 | Q97-I101 PolarHBondContact O-N 2.81Å; F98-I101 HydrophobicContact CD2-CD1 3.81Å; F98-I101 HydrophobicContact CE2-CD1 4.38Å; F98-I101 VanDerWaalsContact O-CB 3.29Å; F98-I101 WeakPolarHBondContact O-CB 3.49Å; F98-I101 VanDerWaalsContact O-CG1 3.28Å; F98-I101 WeakPolarHBondContact O-CG1 3.46Å; F98-I101 PolarHBondContact O-N 3.36Å; I101-Y141 WeakPolarHBondContact CG2-OH 3.02Å; I101-K221 WeakPolarHBondContact O-CD 3.28Å; I101-K221 PolarHBondContact O-NZ 3.44Å; I101-F306 HydrophobicContact CD1-CD2 4.27Å; I101-F306 HydrophobicContact CD1-CG 4.39Å; I101-L311 HydrophobicContact CG2-CD2 3.27Å | ||
| 102 | P | 93.9 | Very high | 95.6 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 4% | 0.039 | 21% | 0.212 | C | C | . | . | trans | -76.1 | 123 | 175.9 | 28 | -33.7 | 0 | 0 | 0 | 112.2 | N100 Y141 L218 K221 N315 | N100-P102 WeakPolarHBondContact O-CD 3.32Å; P102-Y141 WeakPolarHBondContact CD-OH 3.5Å; P102-Y141 HydrophobicContact CG-CE1 4.29Å; P102-Y141 HydrophobicContact CG-CE2 4.48Å; P102-Y141 WeakPolarHBondContact CG-OH 3.15Å; P102-Y141 PolarHBondContact O-OH 2.94Å; P102-Y141 VanDerWaalsContact O-OH 3.09Å; P102-L218 HydrophobicContact CB-CD1 4.28Å; P102-L218 HydrophobicContact CB-CD2 4.22Å; P102-L218 HydrophobicContact CB-CG 3.85Å; P102-K221 HydrophobicContact CB-CB 4.45Å; P102-N315 PolarHBondContact O-ND2 3.47Å | ||
| 103 | W | 95.1 | Very high | 95.3 | Very high | 97 Ų | 97 | 40.9 Ų | 40.9 | 37% | 0.367 | 20% | 0.201 | S | C | . | . | trans | -112.5 | 126.6 | 175.6 | -66.3 | 86.4 | 0 | 0 | 0 | 109.2 | D105 W310 L311 | W103-D105 VanDerWaalsContact C-N 3.3Å; W103-D105 PolarHBondContact O-N 3.45Å; W103-W310 HydrophobicContact CH2-CZ3 4.45Å; W103-L311 HydrophobicContact CD2-CD1 4.36Å; W103-L311 HydrophobicContact CE3-CD1 3.96Å; W103-L311 HydrophobicContact CH2-CD1 3.47Å; W103-L311 VanDerWaalsContact CH2-CD1 3.47Å; W103-L311 HydrophobicContact CZ2-CD1 3.9Å; W103-L311 HydrophobicContact CZ3-CD1 3.51Å | ||
| 104 | P | 95.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.019 | 21% | 0.207 | C | C | . | . | trans | -76.8 | -14.5 | -175.2 | 32.7 | -37.6 | 0 | 0 | 0 | 113.7 | R106 L107 A108 M130 V133 N315 | P104-R106 PolarHBondContact O-N 3.29Å; P104-L107 CarbonylContact O-C 3.59Å; P104-L107 WeakPolarHBondContact O-CA 3.45Å; P104-L107 WeakPolarHBondContact O-CB 3.03Å; P104-L107 PolarHBondContact O-N 3.06Å; P104-A108 PolarHBondContact O-N 2.71Å; P104-M130 HydrophobicContact CB-CE 3.74Å; P104-V133 HydrophobicContact CB-CG1 4.24Å; P104-N315 WeakPolarHBondContact CD-ND2 3.44Å; P104-N315 WeakPolarHBondContact CD-OD1 3.27Å; P104-N315 HydrophobicContact CG-CB 3.85Å | ||
| 105 | D | 95.9 | Very high | 95.1 | Very high | 56 Ų | 56 | 40.8 Ų | 40.8 | 30% | 0.299 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -51.6 | -48.2 | -165.4 | -57.2 | -119.2 | 0 | 0 | 0 | 114.3 | W103 L107 A108 A109 R314 | W103-D105 VanDerWaalsContact C-N 3.3Å; W103-D105 PolarHBondContact O-N 3.45Å; D105-L107 VanDerWaalsContact C-N 3.27Å; D105-L107 PolarHBondContact O-N 3.37Å; D105-A108 PolarHBondContact O-N 2.91Å; D105-A109 PolarHBondContact O-N 2.8Å; D105-R314 VanDerWaalsContact CG-NH1 3.35Å; D105-R314 IonicContact OD1-CZ 2.74Å; D105-R314 IonicContact OD1-NH1 3.59Å; D105-R314 PolarHBondContact OD1-NH1 2.97Å; D105-R314 VanDerWaalsContact OD1-NH1 3.09Å; D105-R314 IonicContact OD1-NH2 2.82Å; D105-R314 PolarHBondContact OD1-NH2 3.06Å; D105-R314 IonicContact OD2-CZ 2.75Å; D105-R314 IonicContact OD2-NH1 3.45Å; D105-R314 PolarHBondContact OD2-NH1 3.29Å; D105-R314 IonicContact OD2-NH2 3.28Å |
| 106 | R | 95.9 | Very high | 95 | Very high | 145 Ų | 145 | 39.5 Ų | 39.5 | 55% | 0.547 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.9 | -37.7 | 177.8 | -71.2 | 170.2 | 63.2 | 110.1 | -1.4 | 111.9 | P104 L110 E214 | P104-R106 PolarHBondContact O-N 3.29Å; R106-L110 PolarHBondContact O-N 3.48Å; R106-E214 IonicContact CZ-OE1 3.83Å; R106-E214 IonicContact CZ-OE2 2.77Å; R106-E214 IonicContact NE-OE1 3.48Å; R106-E214 IonicContact NE-OE2 2.76Å; R106-E214 PolarHBondContact NE-OE2 3.15Å; R106-E214 IonicContact NH2-OE1 2.8Å; R106-E214 PolarHBondContact NH2-OE1 3.09Å; R106-E214 IonicContact NH2-OE2 2.73Å; R106-E214 PolarHBondContact NH2-OE2 3.08Å |
| 107 | L | 95.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -81 | -32.7 | -179.3 | -171.1 | 51.3 | 0 | 0 | 0 | 111.7 | P104 D105 L110 V111 M130 V133 F189 I211 E214 L215 | P104-L107 CarbonylContact O-C 3.59Å; P104-L107 WeakPolarHBondContact O-CA 3.45Å; P104-L107 WeakPolarHBondContact O-CB 3.03Å; P104-L107 PolarHBondContact O-N 3.06Å; D105-L107 VanDerWaalsContact C-N 3.27Å; D105-L107 PolarHBondContact O-N 3.37Å; L107-L110 PolarHBondContact O-N 3.13Å; L107-V111 HydrophobicContact CD1-CG2 4.35Å; L107-V111 WeakPolarHBondContact O-CB 3.39Å; L107-V111 VanDerWaalsContact O-CG2 3.31Å; L107-V111 WeakPolarHBondContact O-CG2 3.43Å; L107-V111 PolarHBondContact O-N 3.06Å; L107-M130 HydrophobicContact CB-CE 4.42Å; L107-M130 HydrophobicContact CG-SD 4.45Å; L107-V133 HydrophobicContact CD2-CG1 4.29Å; L107-V133 HydrophobicContact CD2-CG2 3.5Å; L107-V133 VanDerWaalsContact CD2-CG2 3.5Å; L107-V133 HydrophobicContact CG-CG2 4.37Å; L107-F189 HydrophobicContact CD1-CZ 3.88Å; L107-F189 HydrophobicContact CD2-CE2 4.12Å; L107-F189 HydrophobicContact CD2-CZ 3.95Å; L107-F189 HydrophobicContact CG-CE2 4.41Å; L107-F189 HydrophobicContact CG-CZ 4.05Å; L107-I211 HydrophobicContact CD1-CG2 4.19Å; L107-E214 HydrophobicContact CD1-CB 4.12Å; L107-L215 HydrophobicContact CD2-CB 4.22Å; L107-L215 HydrophobicContact CD2-CD1 4Å |
| 108 | A | 96 | Very high | 94.4 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.6 | -48.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | P104 D105 L110 V111 G112 M130 V323 | P104-A108 PolarHBondContact O-N 2.71Å; D105-A108 PolarHBondContact O-N 2.91Å; A108-L110 VanDerWaalsContact C-N 3.35Å; A108-L110 PolarHBondContact O-N 3.37Å; A108-V111 PolarHBondContact O-N 3.39Å; A108-G112 PolarHBondContact O-N 3.31Å; A108-M130 HydrophobicContact CB-CE 3.87Å; A108-M130 HydrophobicContact CB-SD 4.27Å; A108-V323 HydrophobicContact CB-CG1 4.13Å; A108-V323 WeakPolarHBondContact O-CG1 3.37Å |
| 109 | A | 95 | Very high | 94.4 | Very high | 63 Ų | 63 | 44.4 Ų | 44.4 | 52% | 0.521 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.7 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D105 G113 | D105-A109 PolarHBondContact O-N 2.8Å; A109-G113 PolarHBondContact O-N 2.95Å |
| 110 | L | 95.6 | Very high | 94.3 | Very high | 37 Ų | 37 | 45.1 Ų | 45.1 | 19% | 0.194 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.1 | -41.2 | 175.9 | -70.7 | -175.6 | 0 | 0 | 0 | 113 | R106 L107 A108 H114 A210 I211 E214 | R106-L110 PolarHBondContact O-N 3.48Å; L107-L110 PolarHBondContact O-N 3.13Å; A108-L110 VanDerWaalsContact C-N 3.35Å; A108-L110 PolarHBondContact O-N 3.37Å; L110-H114 WeakPolarHBondContact O-CB 3.31Å; L110-H114 PolarHBondContact O-N 3.21Å; L110-H114 VanDerWaalsContact O-N 3.13Å; L110-H114 PolarHBondContact O-ND1 2.99Å; L110-A210 HydrophobicContact CD1-CB 4.18Å; L110-I211 HydrophobicContact CB-CG1 3.92Å; L110-E214 HydrophobicContact CD1-CB 4.05Å; L110-E214 HydrophobicContact CD1-CG 3.5Å; L110-E214 VanDerWaalsContact CD1-CG 3.5Å |
| 111 | V | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.2 | -45.5 | 178.5 | 166.7 | 0 | 0 | 0 | 0 | 110.8 | L107 A108 V115 R126 L129 M130 F189 V323 | L107-V111 HydrophobicContact CD1-CG2 4.35Å; L107-V111 WeakPolarHBondContact O-CB 3.39Å; L107-V111 VanDerWaalsContact O-CG2 3.31Å; L107-V111 WeakPolarHBondContact O-CG2 3.43Å; L107-V111 PolarHBondContact O-N 3.06Å; A108-V111 PolarHBondContact O-N 3.39Å; V111-V115 HydrophobicContact CG1-CG2 4.13Å; V111-V115 VanDerWaalsContact O-CB 3.31Å; V111-V115 WeakPolarHBondContact O-CB 3.43Å; V111-V115 WeakPolarHBondContact O-CG2 3.37Å; V111-V115 PolarHBondContact O-N 3.01Å; V111-R126 HydrophobicContact CG1-CB 4.19Å; V111-R126 HydrophobicContact CG1-CG 4Å; V111-L129 HydrophobicContact CG1-CB 4.38Å; V111-L129 HydrophobicContact CG1-CD1 4.18Å; V111-L129 HydrophobicContact CG2-CB 4.49Å; V111-L129 HydrophobicContact CG2-CD1 4.42Å; V111-M130 HydrophobicContact CB-SD 4.08Å; V111-M130 HydrophobicContact CG1-CG 4.44Å; V111-M130 HydrophobicContact CG1-SD 4.4Å; V111-M130 HydrophobicContact CG2-SD 3.92Å; V111-F189 HydrophobicContact CG2-CZ 4.1Å; V111-V323 HydrophobicContact CB-CG1 4.26Å; V111-V323 HydrophobicContact CG1-CB 4.38Å; V111-V323 HydrophobicContact CG1-CG1 4.05Å |
| 112 | G | 92.8 | Very high | 94 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A108 H114 Y327 | A108-G112 PolarHBondContact O-N 3.31Å; G112-H114 PolarHBondContact O-N 3.41Å; G112-Y327 WeakPolarHBondContact O-CD2 3.37Å |
| 113 | G | 92 | Very high | 94.1 | Very high | 30 Ų | 30 | 52.8 Ų | 52.8 | 31% | 0.309 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -71.3 | -27 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A109 R116 | A109-G113 PolarHBondContact O-N 2.95Å; G113-R116 PolarHBondContact O-NE 2.88Å; G113-R116 VanDerWaalsContact O-NE 3.09Å; G113-R116 PolarHBondContact O-NH2 3.09Å |
| 114 | H | 93.6 | Very high | 94.1 | Very high | 66 Ų | 66 | 53.5 Ų | 53.5 | 31% | 0.306 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -120.7 | -15.9 | -168.9 | -58.5 | 99.3 | 0 | 0 | 0 | 116.2 | L110 G112 R116 A207 I211 | L110-H114 WeakPolarHBondContact O-CB 3.31Å; L110-H114 PolarHBondContact O-N 3.21Å; L110-H114 VanDerWaalsContact O-N 3.13Å; L110-H114 PolarHBondContact O-ND1 2.99Å; G112-H114 PolarHBondContact O-N 3.41Å; H114-R116 PolarHBondContact O-N 3.49Å; H114-A207 HydrophobicContact CB-CB 4.07Å; H114-A207 WeakPolarHBondContact CD2-CB 3.42Å; H114-I211 HydrophobicContact CB-CD1 4.08Å |
| 115 | V | 94.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -95.9 | 90.6 | 176.8 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | V111 T125 R126 L129 I202 I211 | V111-V115 HydrophobicContact CG1-CG2 4.13Å; V111-V115 VanDerWaalsContact O-CB 3.31Å; V111-V115 WeakPolarHBondContact O-CB 3.43Å; V111-V115 WeakPolarHBondContact O-CG2 3.37Å; V111-V115 PolarHBondContact O-N 3.01Å; V115-T125 HydrophobicContact CG1-CG2 4.06Å; V115-R126 HydrophobicContact CB-CG 3.76Å; V115-R126 HydrophobicContact CG1-CG 3.7Å; V115-R126 WeakPolarHBondContact O-CD 3.39Å; V115-R126 PolarHBondContact O-NH1 3.33Å; V115-L129 HydrophobicContact CG2-CD1 4Å; V115-I202 HydrophobicContact CG2-CD1 4.21Å; V115-I202 HydrophobicContact CG2-CG1 4.04Å; V115-I211 HydrophobicContact CG2-CD1 4.49Å |
| 116 | R | 92.9 | Very high | 94.2 | Very high | 93 Ų | 93 | 51.7 Ų | 51.7 | 35% | 0.351 | 28% | 0.278 | S | S | . | . | trans | -87.2 | 143.4 | -167.1 | -65.7 | -67.9 | 176.1 | 165.6 | -7.7 | 113.7 | G113 H114 R201 Y327 D328 | G113-R116 PolarHBondContact O-NE 2.88Å; G113-R116 VanDerWaalsContact O-NE 3.09Å; G113-R116 PolarHBondContact O-NH2 3.09Å; H114-R116 PolarHBondContact O-N 3.49Å; R116-R201 PolarHBondContact N-O 2.86Å; R116-Y327 WeakPolarHBondContact CD-OH 3.3Å; R116-D328 IonicContact NH1-OD1 3.09Å; R116-D328 PolarHBondContact NH1-OD1 3.09Å; R116-D328 IonicContact NH1-OD2 3.54Å | ||
| 117 | G | 90.7 | Very high | 94.2 | Very high | 15 Ų | 15 | 48.9 Ų | 48.9 | 16% | 0.155 | 27% | 0.268 | C | S | . | . | trans | 138.4 | 135 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A122 R126 Y327 | G117-A122 WeakPolarHBondContact O-CB 3.49Å; G117-R126 PolarHBondContact O-NH1 3.41Å; G117-R126 PolarHBondContact O-NH2 3.45Å; G117-R126 VanDerWaalsContact O-NH2 3.16Å; G117-Y327 PolarHBondContact N-OH 3.2Å; G117-Y327 VanDerWaalsContact N-OH 3.1Å | ||
| 118 | T | 90.3 | Very high | 94.3 | Very high | 123 Ų | 123 | 49.6 Ų | 49.6 | 76% | 0.755 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -91.8 | -8.7 | 175.4 | 45.9 | 0 | 0 | 0 | 0 | 112.9 | Y327 | T118-Y327 HydrophobicContact CG2-CE1 4.02Š|
| 119 | D | 93.7 | Very high | 94.4 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 31% | 0.305 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -74.9 | 158.2 | 179.3 | 65.7 | -81.5 | 0 | 0 | 0 | 113.1 | T121 A122 R123 R201 | D119-T121 PolarHBondContact O-N 3.13Å; D119-T121 VanDerWaalsContact O-N 3.11Å; D119-T121 WeakPolarHBondContact OD2-CA 3.33Å; D119-T121 WeakPolarHBondContact OD2-CB 3.32Å; D119-T121 PolarHBondContact OD2-N 2.83Å; D119-T121 VanDerWaalsContact OD2-N 3.08Å; D119-T121 PolarHBondContact OD2-OG1 3.1Å; D119-A122 PolarHBondContact O-N 3.18Å; D119-A122 VanDerWaalsContact O-N 3.14Å; D119-A122 WeakPolarHBondContact OD1-CB 3.45Å; D119-A122 PolarHBondContact OD2-N 3.02Å; D119-R123 WeakPolarHBondContact O-CB 3.26Å; D119-R123 PolarHBondContact O-N 2.84Å; D119-R201 VanDerWaalsContact CG-NH2 3.3Å; D119-R201 IonicContact OD1-CZ 3.45Å; D119-R201 IonicContact OD1-NH1 3.34Å; D119-R201 PolarHBondContact OD1-NH1 3.34Å; D119-R201 IonicContact OD1-NH2 3.78Å; D119-R201 PolarHBondContact OD1-NH2 2.88Å; D119-R201 VanDerWaalsContact OD1-NH2 3.15Å; D119-R201 IonicContact OD2-CZ 2.7Å; D119-R201 IonicContact OD2-NH1 2.75Å; D119-R201 IonicContact OD2-NH2 3.53Å; D119-R201 PolarHBondContact OD2-NH2 2.85Å |
| 120 | D | 93.8 | Very high | 94.5 | Very high | 121 Ų | 121 | 46.6 Ų | 46.6 | 65% | 0.647 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -59.2 | -26.1 | -177.9 | -70.1 | -53.2 | 0 | 0 | 0 | 114.1 | L124 | D120-L124 WeakPolarHBondContact O-CB 3.39Å; D120-L124 PolarHBondContact O-N 3.41Å |
| 121 | T | 93.2 | Very high | 94.6 | Very high | 82 Ų | 82 | 46.5 Ų | 46.5 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -79.1 | -35.5 | 179.1 | 76.7 | 0 | 0 | 0 | 0 | 111.9 | D119 T125 R201 | D119-T121 PolarHBondContact O-N 3.13Å; D119-T121 VanDerWaalsContact O-N 3.11Å; D119-T121 WeakPolarHBondContact OD2-CA 3.33Å; D119-T121 WeakPolarHBondContact OD2-CB 3.32Å; D119-T121 PolarHBondContact OD2-N 2.83Å; D119-T121 VanDerWaalsContact OD2-N 3.08Å; D119-T121 PolarHBondContact OD2-OG1 3.1Å; T121-T125 WeakPolarHBondContact O-CB 3.39Å; T121-T125 PolarHBondContact O-N 3.5Å; T121-T125 PolarHBondContact O-OG1 3.35Å; T121-R201 PolarHBondContact OG1-NH2 3.44Å |
| 122 | A | 92.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.3 | -42.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G117 D119 T125 R126 | G117-A122 WeakPolarHBondContact O-CB 3.49Å; D119-A122 PolarHBondContact O-N 3.18Å; D119-A122 VanDerWaalsContact O-N 3.14Å; D119-A122 WeakPolarHBondContact OD1-CB 3.45Å; D119-A122 PolarHBondContact OD2-N 3.02Å; A122-T125 WeakPolarHBondContact O-CB 3.35Å; A122-T125 PolarHBondContact O-N 3.29Å; A122-R126 PolarHBondContact O-N 2.86Å |
| 123 | R | 95.2 | Very high | 94.9 | Very high | 103 Ų | 103 | 47.7 Ų | 47.7 | 39% | 0.389 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.4 | -50.9 | 172.8 | -170.9 | -175.3 | -176.9 | -174.7 | 3.2 | 111.7 | D119 T125 R126 R127 D324 | D119-R123 WeakPolarHBondContact O-CB 3.26Å; D119-R123 PolarHBondContact O-N 2.84Å; R123-T125 VanDerWaalsContact C-N 3.31Å; R123-T125 PolarHBondContact O-N 3.03Å; R123-R126 PolarHBondContact O-N 3.45Å; R123-R127 WeakPolarHBondContact O-CG 3.39Å; R123-R127 PolarHBondContact O-N 3.48Å; R123-D324 WeakPolarHBondContact CD-OD1 3.3Å; R123-D324 WeakPolarHBondContact CG-OD1 3.37Å; R123-D324 IonicContact CZ-OD1 3.84Å; R123-D324 IonicContact CZ-OD2 2.79Å; R123-D324 IonicContact NE-OD1 2.69Å; R123-D324 PolarHBondContact NE-OD1 3.44Å; R123-D324 IonicContact NE-OD2 3.81Å; R123-D324 PolarHBondContact NE-OD2 3.14Å; R123-D324 IonicContact NH2-OD1 2.69Å; R123-D324 PolarHBondContact NH2-OD1 2.94Å; R123-D324 IonicContact NH2-OD2 3.42Å; R123-D324 PolarHBondContact NH2-OD2 2.9Å |
| 124 | L | 96 | Very high | 95.1 | Very high | 111 Ų | 111 | 46.9 Ų | 46.9 | 58% | 0.581 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -59.8 | -41 | 175.8 | 179.9 | 63.3 | 0 | 0 | 0 | 111.5 | D120 T128 | D120-L124 WeakPolarHBondContact O-CB 3.39Å; D120-L124 PolarHBondContact O-N 3.41Å; L124-T128 WeakPolarHBondContact O-CB 3.01Å; L124-T128 PolarHBondContact O-N 3.47Å; L124-T128 PolarHBondContact O-OG1 2.68Å |
| 125 | T | 96 | Very high | 95.3 | Very high | 16 Ų | 16 | 43.8 Ų | 43.8 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.6 | -49.7 | 177.3 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | V115 T121 A122 R123 T128 L129 L192 A196 | V115-T125 HydrophobicContact CG1-CG2 4.06Å; T121-T125 WeakPolarHBondContact O-CB 3.39Å; T121-T125 PolarHBondContact O-N 3.5Å; T121-T125 PolarHBondContact O-OG1 3.35Å; A122-T125 WeakPolarHBondContact O-CB 3.35Å; A122-T125 PolarHBondContact O-N 3.29Å; R123-T125 VanDerWaalsContact C-N 3.31Å; R123-T125 PolarHBondContact O-N 3.03Å; T125-T128 PolarHBondContact O-N 2.69Å; T125-L129 HydrophobicContact CG2-CD1 4.07Å; T125-L129 WeakPolarHBondContact O-CB 3.44Å; T125-L129 VanDerWaalsContact O-CG 3.31Å; T125-L129 WeakPolarHBondContact O-CG 3.41Å; T125-L129 PolarHBondContact O-N 2.62Å; T125-L192 HydrophobicContact CG2-CD1 4.29Å; T125-L192 HydrophobicContact CG2-CG 4.36Å; T125-A196 HydrophobicContact CG2-CB 4.07Å |
| 126 | R | 96.3 | Very high | 95.4 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.5 | -50.3 | 176.5 | -77.2 | -165.7 | -61 | -85.1 | -0.7 | 112.4 | V111 V115 G117 A122 R123 T128 L129 M130 V323 | V111-R126 HydrophobicContact CG1-CB 4.19Å; V111-R126 HydrophobicContact CG1-CG 4Å; V115-R126 HydrophobicContact CB-CG 3.76Å; V115-R126 HydrophobicContact CG1-CG 3.7Å; V115-R126 WeakPolarHBondContact O-CD 3.39Å; V115-R126 PolarHBondContact O-NH1 3.33Å; G117-R126 PolarHBondContact O-NH1 3.41Å; G117-R126 PolarHBondContact O-NH2 3.45Å; G117-R126 VanDerWaalsContact O-NH2 3.16Å; A122-R126 PolarHBondContact O-N 2.86Å; R123-R126 PolarHBondContact O-N 3.45Å; R126-T128 VanDerWaalsContact C-N 3.34Å; R126-T128 PolarHBondContact O-N 3.35Å; R126-L129 PolarHBondContact O-N 2.94Å; R126-M130 PolarHBondContact O-N 3.46Å; R126-V323 HydrophobicContact CB-CB 4.08Å; R126-V323 HydrophobicContact CB-CG2 4.01Å; R126-V323 VanDerWaalsContact CD-O 3.28Å; R126-V323 WeakPolarHBondContact CD-O 3.4Å; R126-V323 PolarHBondContact NE-O 2.97Å |
| 127 | R | 97.2 | Very high | 95.5 | Very high | 87 Ų | 87 | 39.6 Ų | 39.6 | 33% | 0.328 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 178.3 | -68.9 | 179.9 | 69.6 | 87.7 | 5 | 112.2 | R123 R131 L320 D324 | R123-R127 WeakPolarHBondContact O-CG 3.39Å; R123-R127 PolarHBondContact O-N 3.48Å; R127-R131 VanDerWaalsContact O-CB 3.27Å; R127-R131 WeakPolarHBondContact O-CB 3.2Å; R127-R131 PolarHBondContact O-N 3.27Å; R127-L320 HydrophobicContact CB-CD2 4.09Å; R127-L320 HydrophobicContact CG-CD2 4.29Å; R127-D324 WeakPolarHBondContact CD-OD2 3.38Å; R127-D324 HydrophobicContact CG-CB 4.22Å; R127-D324 IonicContact CZ-OD2 3.31Å; R127-D324 IonicContact NE-OD2 3.72Å; R127-D324 IonicContact NH1-OD2 2.82Å; R127-D324 PolarHBondContact NH1-OD2 2.68Å |
| 128 | T | 97.4 | Very high | 95.8 | Very high | 18 Ų | 18 | 39 Ų | 39 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.9 | -40.6 | -179.9 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | L124 T125 R126 R131 Y132 L192 | L124-T128 WeakPolarHBondContact O-CB 3.01Å; L124-T128 PolarHBondContact O-N 3.47Å; L124-T128 PolarHBondContact O-OG1 2.68Å; T125-T128 PolarHBondContact O-N 2.69Å; R126-T128 VanDerWaalsContact C-N 3.34Å; R126-T128 PolarHBondContact O-N 3.35Å; T128-R131 PolarHBondContact O-N 3.38Å; T128-Y132 HydrophobicContact CG2-CD1 4.35Å; T128-Y132 HydrophobicContact CG2-CD2 4.28Å; T128-Y132 HydrophobicContact CG2-CE1 3.81Å; T128-Y132 HydrophobicContact CG2-CE2 3.74Å; T128-Y132 VanDerWaalsContact CG2-CZ 3.47Å; T128-Y132 PolarHBondContact O-N 3.25Å; T128-L192 HydrophobicContact CG2-CD2 3.66Å |
| 129 | L | 97.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.2 | -53.2 | 171.8 | -76.1 | 169.2 | 0 | 0 | 0 | 110.7 | V111 V115 T125 R126 R131 Y132 V133 F189 L192 A193 | V111-L129 HydrophobicContact CG1-CB 4.38Å; V111-L129 HydrophobicContact CG1-CD1 4.18Å; V111-L129 HydrophobicContact CG2-CB 4.49Å; V111-L129 HydrophobicContact CG2-CD1 4.42Å; V115-L129 HydrophobicContact CG2-CD1 4Å; T125-L129 HydrophobicContact CG2-CD1 4.07Å; T125-L129 WeakPolarHBondContact O-CB 3.44Å; T125-L129 VanDerWaalsContact O-CG 3.31Å; T125-L129 WeakPolarHBondContact O-CG 3.41Å; T125-L129 PolarHBondContact O-N 2.62Å; R126-L129 PolarHBondContact O-N 2.94Å; L129-R131 VanDerWaalsContact C-N 3.34Å; L129-R131 PolarHBondContact O-N 3.27Å; L129-Y132 PolarHBondContact O-N 3.35Å; L129-V133 WeakPolarHBondContact O-CG2 3.31Å; L129-V133 PolarHBondContact O-N 2.74Å; L129-F189 HydrophobicContact CB-CD2 4.06Å; L129-F189 HydrophobicContact CB-CE2 3.67Å; L129-F189 HydrophobicContact CB-CZ 4.33Å; L129-F189 HydrophobicContact CD2-CD1 4.05Å; L129-F189 HydrophobicContact CD2-CD2 3.68Å; L129-F189 HydrophobicContact CD2-CE1 4.09Å; L129-F189 HydrophobicContact CD2-CE2 3.73Å; L129-F189 HydrophobicContact CD2-CG 3.85Å; L129-F189 HydrophobicContact CD2-CZ 3.94Å; L129-F189 HydrophobicContact CG-CD2 4.5Å; L129-F189 HydrophobicContact CG-CE2 4.27Å; L129-F189 WeakPolarHBondContact O-CD2 3.34Å; L129-F189 WeakPolarHBondContact O-CE2 3.28Å; L129-L192 HydrophobicContact CD2-CB 3.95Å; L129-L192 HydrophobicContact CD2-CD2 3.85Å; L129-L192 HydrophobicContact CD2-CG 3.84Å; L129-L192 HydrophobicContact CG-CD2 3.83Å; L129-L192 HydrophobicContact CG-CG 4.11Å; L129-A193 HydrophobicContact CD2-CB 4.29Å |
| 130 | M | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.9 | -34.7 | 179.4 | -64.3 | -44.3 | -56.2 | 0 | 0 | 113.1 | P104 L107 A108 V111 R126 Y132 V133 N134 V323 | P104-M130 HydrophobicContact CB-CE 3.74Å; L107-M130 HydrophobicContact CB-CE 4.42Å; L107-M130 HydrophobicContact CG-SD 4.45Å; A108-M130 HydrophobicContact CB-CE 3.87Å; A108-M130 HydrophobicContact CB-SD 4.27Å; V111-M130 HydrophobicContact CB-SD 4.08Å; V111-M130 HydrophobicContact CG1-CG 4.44Å; V111-M130 HydrophobicContact CG1-SD 4.4Å; V111-M130 HydrophobicContact CG2-SD 3.92Å; R126-M130 PolarHBondContact O-N 3.46Å; M130-Y132 PolarHBondContact O-N 3.21Å; M130-V133 HydrophobicContact CE-CB 4.33Å; M130-V133 HydrophobicContact CE-CG1 4.45Å; M130-V133 HydrophobicContact CE-CG2 4.41Å; M130-V133 WeakPolarHBondContact O-CB 3.3Å; M130-V133 PolarHBondContact O-N 3.31Å; M130-N134 VanDerWaalsContact O-CG 3.22Å; M130-N134 PolarHBondContact O-N 3.42Å; M130-N134 PolarHBondContact O-ND2 2.94Å; M130-V323 HydrophobicContact CB-CG2 4.39Å; M130-V323 HydrophobicContact CG-CB 4.31Å; M130-V323 HydrophobicContact CG-CG1 3.62Å; M130-V323 HydrophobicContact CG-CG2 3.8Å; M130-V323 HydrophobicContact SD-CG1 4.4Å |
| 131 | R | 97.4 | Very high | 96.3 | Very high | 34 Ų | 34 | 25.4 Ų | 25.4 | 13% | 0.128 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.1 | -36.7 | 175.5 | -167.6 | 174.6 | 55.8 | 71.5 | 2.3 | 112.6 | R127 T128 L129 N134 L135 L163 E168 | R127-R131 VanDerWaalsContact O-CB 3.27Å; R127-R131 WeakPolarHBondContact O-CB 3.2Å; R127-R131 PolarHBondContact O-N 3.27Å; T128-R131 PolarHBondContact O-N 3.38Å; L129-R131 VanDerWaalsContact C-N 3.34Å; L129-R131 PolarHBondContact O-N 3.27Å; R131-N134 PolarHBondContact O-N 2.7Å; R131-L135 WeakPolarHBondContact O-CB 3.35Å; R131-L135 PolarHBondContact O-N 3.23Å; R131-L163 WeakPolarHBondContact CD-O 3.5Å; R131-L163 VanDerWaalsContact CG-O 3.31Å; R131-L163 WeakPolarHBondContact CG-O 3.32Å; R131-L163 PolarHBondContact NH1-O 2.94Å; R131-E168 IonicContact CZ-OE1 2.74Å; R131-E168 IonicContact CZ-OE2 2.62Å; R131-E168 IonicContact NH1-OE1 3.27Å; R131-E168 PolarHBondContact NH1-OE1 2.84Å; R131-E168 IonicContact NH1-OE2 3.42Å; R131-E168 PolarHBondContact NH1-OE2 2.96Å; R131-E168 IonicContact NH2-OE1 3.27Å; R131-E168 PolarHBondContact NH2-OE1 3.32Å; R131-E168 IonicContact NH2-OE2 3.43Å |
| 132 | Y | 97.9 | Very high | 96.5 | Very high | 35 Ų | 35 | 23.5 Ų | 23.5 | 14% | 0.137 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64 | -37.6 | 171.9 | -68.3 | -20.5 | 0 | 0 | 0 | 112.8 | T128 L129 M130 L135 S136 E168 P185 W188 F189 L192 | T128-Y132 HydrophobicContact CG2-CD1 4.35Å; T128-Y132 HydrophobicContact CG2-CD2 4.28Å; T128-Y132 HydrophobicContact CG2-CE1 3.81Å; T128-Y132 HydrophobicContact CG2-CE2 3.74Å; T128-Y132 VanDerWaalsContact CG2-CZ 3.47Å; T128-Y132 PolarHBondContact O-N 3.25Å; L129-Y132 PolarHBondContact O-N 3.35Å; M130-Y132 PolarHBondContact O-N 3.21Å; Y132-L135 PolarHBondContact O-N 2.92Å; Y132-S136 PolarHBondContact O-N 3.5Å; Y132-E168 HydrophobicContact CE1-CG 4.36Å; Y132-P185 VanDerWaalsContact O-CB 3.25Å; Y132-P185 WeakPolarHBondContact O-CB 3.13Å; Y132-W188 HydrophobicContact CD1-CE3 4.08Å; Y132-W188 HydrophobicContact CD2-CB 3.85Å; Y132-W188 AromaticContact CE1-CE3 3.86Å; Y132-W188 HydrophobicContact CE1-CE3 3.86Å; Y132-W188 HydrophobicContact CE2-CB 3.64Å; Y132-W188 HydrophobicContact CG-CB 4.38Å; Y132-F189 HydrophobicContact CD2-CB 4.37Å; Y132-L192 HydrophobicContact CD2-CD2 4.29Å; Y132-L192 HydrophobicContact CE2-CB 4.33Å; Y132-L192 HydrophobicContact CE2-CD2 3.8Å |
| 133 | V | 97.1 | Very high | 96.6 | Very high | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.03 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.6 | -50.6 | 174 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | P104 L107 L129 M130 L135 S136 G137 F189 L215 L218 | P104-V133 HydrophobicContact CB-CG1 4.24Å; L107-V133 HydrophobicContact CD2-CG1 4.29Å; L107-V133 HydrophobicContact CD2-CG2 3.5Å; L107-V133 VanDerWaalsContact CD2-CG2 3.5Å; L107-V133 HydrophobicContact CG-CG2 4.37Å; L129-V133 WeakPolarHBondContact O-CG2 3.31Å; L129-V133 PolarHBondContact O-N 2.74Å; M130-V133 HydrophobicContact CE-CB 4.33Å; M130-V133 HydrophobicContact CE-CG1 4.45Å; M130-V133 HydrophobicContact CE-CG2 4.41Å; M130-V133 WeakPolarHBondContact O-CB 3.3Å; M130-V133 PolarHBondContact O-N 3.31Å; V133-L135 VanDerWaalsContact C-N 3.31Å; V133-L135 PolarHBondContact O-N 3.4Å; V133-S136 PolarHBondContact O-N 2.99Å; V133-G137 PolarHBondContact O-N 3.25Å; V133-F189 HydrophobicContact CG2-CD2 3.53Å; V133-F189 HydrophobicContact CG2-CE2 3.43Å; V133-F189 VanDerWaalsContact CG2-CE2 3.43Å; V133-F189 HydrophobicContact CG2-CZ 4.41Å; V133-L215 HydrophobicContact CG2-CD1 4.25Å; V133-L218 HydrophobicContact CG1-CD1 3.44Å; V133-L218 VanDerWaalsContact CG1-CD1 3.44Å; V133-L218 HydrophobicContact CG1-CD2 4.04Å; V133-L218 HydrophobicContact CG1-CG 4.4Å |
| 134 | N | 96.9 | Very high | 96.7 | Very high | 12 Ų | 12 | 21.1 Ų | 21.1 | 6% | 0.064 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.5 | -41.4 | 177.8 | -63.3 | -24.6 | 0 | 0 | 0 | 111.3 | M130 R131 G137 V138 S319 | M130-N134 VanDerWaalsContact O-CG 3.22Å; M130-N134 PolarHBondContact O-N 3.42Å; M130-N134 PolarHBondContact O-ND2 2.94Å; R131-N134 PolarHBondContact O-N 2.7Å; N134-G137 CarbonylContact O-C 3.57Å; N134-G137 WeakPolarHBondContact O-CA 3.14Å; N134-G137 PolarHBondContact O-N 3.3Å; N134-G137 VanDerWaalsContact O-N 3.13Å; N134-V138 WeakPolarHBondContact O-CG2 3.35Å; N134-V138 PolarHBondContact O-N 3.18Å; N134-S319 PolarHBondContact ND2-OG 3.43Å; N134-S319 PolarHBondContact OD1-OG 3.22Å |
| 135 | L | 97 | Very high | 96.7 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.1 | -41.3 | 178.5 | -178.8 | 59.8 | 0 | 0 | 0 | 112.4 | R131 Y132 V133 G137 V138 L139 L163 M164 P185 W188 | R131-L135 WeakPolarHBondContact O-CB 3.35Å; R131-L135 PolarHBondContact O-N 3.23Å; Y132-L135 PolarHBondContact O-N 2.92Å; V133-L135 VanDerWaalsContact C-N 3.31Å; V133-L135 PolarHBondContact O-N 3.4Å; L135-G137 VanDerWaalsContact C-N 3.3Å; L135-G137 PolarHBondContact O-N 3.2Å; L135-V138 PolarHBondContact O-N 3.37Å; L135-L139 HydrophobicContact CD1-CD1 4.42Å; L135-L139 HydrophobicContact CD1-CG 4.32Å; L135-L139 HydrophobicContact CG-CD1 4.25Å; L135-L139 WeakPolarHBondContact O-CB 3.43Å; L135-L139 VanDerWaalsContact O-CG 3.27Å; L135-L139 WeakPolarHBondContact O-CG 3.17Å; L135-L139 PolarHBondContact O-N 2.92Å; L135-L163 HydrophobicContact CD1-CB 4.47Å; L135-M164 HydrophobicContact CD1-CB 4.11Å; L135-M164 HydrophobicContact CD1-CE 3.77Å; L135-M164 HydrophobicContact CD2-CB 4.19Å; L135-M164 HydrophobicContact CD2-CE 4.12Å; L135-M164 HydrophobicContact CD2-CG 4.04Å; L135-M164 HydrophobicContact CG-CE 4.43Å; L135-P185 HydrophobicContact CB-CB 4.4Å; L135-P185 HydrophobicContact CB-CG 4.35Å; L135-P185 HydrophobicContact CD2-CB 4.35Å; L135-P185 HydrophobicContact CD2-CG 3.92Å; L135-P185 HydrophobicContact CG-CB 4.41Å; L135-P185 HydrophobicContact CG-CG 3.87Å; L135-W188 HydrophobicContact CD2-CZ3 4.31Å |
| 136 | S | 96.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.5 | -42.6 | 171 | -175.6 | 0 | 0 | 0 | 0 | 111.2 | Y132 V133 L139 I140 F182 C186 | Y132-S136 PolarHBondContact O-N 3.5Å; V133-S136 PolarHBondContact O-N 2.99Å; S136-L139 PolarHBondContact O-N 3.32Å; S136-I140 PolarHBondContact O-N 3.29Å; S136-F182 WeakPolarHBondContact CB-O 3.17Å; S136-F182 PolarHBondContact OG-O 2.86Å; S136-C186 PolarHBondContact OG-SG 3.45Å; S136-C186 VanDerWaalsContact OG-SG 3.34Å |
| 137 | G | 95.6 | Very high | 96.6 | Very high | 5 Ų | 5 | 18.8 Ų | 18.8 | 5% | 0.052 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.1 | -51.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | V133 N134 L135 L139 I140 Y141 | V133-G137 PolarHBondContact O-N 3.25Å; N134-G137 CarbonylContact O-C 3.57Å; N134-G137 WeakPolarHBondContact O-CA 3.14Å; N134-G137 PolarHBondContact O-N 3.3Å; N134-G137 VanDerWaalsContact O-N 3.13Å; L135-G137 VanDerWaalsContact C-N 3.3Å; L135-G137 PolarHBondContact O-N 3.2Å; G137-L139 PolarHBondContact O-N 2.92Å; G137-I140 WeakPolarHBondContact O-CG2 3.21Å; G137-I140 PolarHBondContact O-N 3.45Å; G137-Y141 WeakPolarHBondContact O-CD2 3.33Å; G137-Y141 VanDerWaalsContact O-CG 3.27Å; G137-Y141 PolarHBondContact O-N 3.01Å |
| 138 | V | 96.8 | Very high | 96.6 | Very high | 4 Ų | 4 | 14.6 Ų | 14.6 | 2% | 0.024 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.5 | -39.1 | 178.5 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | N134 L135 I140 Y141 R142 F152 L158 L163 V312 | N134-V138 WeakPolarHBondContact O-CG2 3.35Å; N134-V138 PolarHBondContact O-N 3.18Å; L135-V138 PolarHBondContact O-N 3.37Å; V138-I140 PolarHBondContact O-N 3.22Å; V138-Y141 PolarHBondContact O-N 2.96Å; V138-R142 WeakPolarHBondContact O-CB 3.48Å; V138-R142 PolarHBondContact O-N 2.6Å; V138-F152 HydrophobicContact CG1-CD2 4.01Å; V138-F152 HydrophobicContact CG1-CE2 4Å; V138-L158 HydrophobicContact CG1-CD2 3.63Å; V138-L163 HydrophobicContact CB-CD1 4.46Å; V138-L163 HydrophobicContact CG1-CD1 4.02Å; V138-L163 HydrophobicContact CG2-CD1 4.1Å; V138-L163 HydrophobicContact CG2-CD2 4.46Å; V138-V312 HydrophobicContact CG2-CB 4.38Å; V138-V312 HydrophobicContact CG2-CG1 3.6Å; V138-V312 HydrophobicContact CG2-CG2 3.87Å |
| 139 | L | 96.6 | Very high | 96.6 | Very high | 11 Ų | 11 | 19.5 Ų | 19.5 | 6% | 0.058 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.7 | -38.2 | 176.7 | -72.6 | 171.5 | 0 | 0 | 0 | 112.5 | L135 S136 G137 S143 L158 F182 P185 | L135-L139 HydrophobicContact CD1-CD1 4.42Å; L135-L139 HydrophobicContact CD1-CG 4.32Å; L135-L139 HydrophobicContact CG-CD1 4.25Å; L135-L139 WeakPolarHBondContact O-CB 3.43Å; L135-L139 VanDerWaalsContact O-CG 3.27Å; L135-L139 WeakPolarHBondContact O-CG 3.17Å; L135-L139 PolarHBondContact O-N 2.92Å; S136-L139 PolarHBondContact O-N 3.32Å; G137-L139 PolarHBondContact O-N 2.92Å; L139-S143 PolarHBondContact O-N 3.41Å; L139-S143 PolarHBondContact O-OG 3.38Å; L139-L158 HydrophobicContact CD2-CD1 3.67Å; L139-F182 HydrophobicContact CB-CB 3.71Å; L139-P185 HydrophobicContact CD1-CG 3.9Å |
| 140 | I | 96.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -73.8 | -43.9 | 173.1 | -172.8 | 60.7 | 0 | 0 | 0 | 112.1 | S136 G137 V138 R142 S143 V144 F182 C222 L225 Y226 | S136-I140 PolarHBondContact O-N 3.29Å; G137-I140 WeakPolarHBondContact O-CG2 3.21Å; G137-I140 PolarHBondContact O-N 3.45Å; V138-I140 PolarHBondContact O-N 3.22Å; I140-R142 VanDerWaalsContact C-N 3.32Å; I140-R142 PolarHBondContact O-N 3.1Å; I140-S143 WeakPolarHBondContact O-CA 3.45Å; I140-S143 WeakPolarHBondContact O-CB 3.29Å; I140-S143 PolarHBondContact O-N 2.92Å; I140-V144 HydrophobicContact CD1-CG1 3.89Å; I140-V144 HydrophobicContact CG1-CG1 4.37Å; I140-V144 PolarHBondContact O-N 2.96Å; I140-F182 HydrophobicContact CB-CB 4.49Å; I140-F182 HydrophobicContact CB-CD2 4.35Å; I140-F182 HydrophobicContact CB-CG 4.47Å; I140-C222 HydrophobicContact CB-CB 4.45Å; I140-C222 HydrophobicContact CG2-CB 4.07Å; I140-L225 HydrophobicContact CG1-CB 4.16Å; I140-Y226 HydrophobicContact CD1-CD2 4.11Å; I140-Y226 HydrophobicContact CD1-CG 4.47Å |
| 141 | Y | 96.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.7 | -41.6 | 177.1 | -65.7 | -46.9 | 0 | 0 | 0 | 112.1 | I101 P102 G137 V138 S143 V144 S145 L225 T308 L311 V312 | I101-Y141 WeakPolarHBondContact CG2-OH 3.02Å; P102-Y141 WeakPolarHBondContact CD-OH 3.5Å; P102-Y141 HydrophobicContact CG-CE1 4.29Å; P102-Y141 HydrophobicContact CG-CE2 4.48Å; P102-Y141 WeakPolarHBondContact CG-OH 3.15Å; P102-Y141 PolarHBondContact O-OH 2.94Å; P102-Y141 VanDerWaalsContact O-OH 3.09Å; G137-Y141 WeakPolarHBondContact O-CD2 3.33Å; G137-Y141 VanDerWaalsContact O-CG 3.27Å; G137-Y141 PolarHBondContact O-N 3.01Å; V138-Y141 PolarHBondContact O-N 2.96Å; Y141-S143 PolarHBondContact O-N 3.46Å; Y141-V144 PolarHBondContact O-N 2.82Å; Y141-S145 WeakPolarHBondContact O-CA 3.43Å; Y141-S145 WeakPolarHBondContact O-CB 3.49Å; Y141-S145 PolarHBondContact O-N 3.36Å; Y141-L225 HydrophobicContact CE1-CD1 4.19Å; Y141-T308 HydrophobicContact CD1-CG2 4.5Å; Y141-L311 HydrophobicContact CE1-CD2 4.44Å; Y141-L311 HydrophobicContact CE2-CD2 4.48Å; Y141-L311 VanDerWaalsContact OH-CD2 3.27Å; Y141-L311 WeakPolarHBondContact OH-CD2 3.38Å; Y141-V312 HydrophobicContact CD2-CG2 3.71Å; Y141-V312 HydrophobicContact CE2-CG2 4.24Å |
| 142 | R | 96.1 | Very high | 96.5 | Very high | 42 Ų | 42 | 28.6 Ų | 28.6 | 16% | 0.158 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.7 | -22.4 | 173.1 | -178.3 | -175.8 | -170.5 | -85.7 | -13.3 | 113.4 | V138 I140 V148 Y149 F152 P153 T154 | V138-R142 WeakPolarHBondContact O-CB 3.48Å; V138-R142 PolarHBondContact O-N 2.6Å; I140-R142 VanDerWaalsContact C-N 3.32Å; I140-R142 PolarHBondContact O-N 3.1Å; R142-V148 HydrophobicContact CB-CG1 4.18Å; R142-Y149 HydrophobicContact CG-CD2 4.37Å; R142-Y149 WeakPolarHBondContact O-CD2 3.38Å; R142-F152 VanDerWaalsContact CZ-O 3.23Å; R142-F152 PolarHBondContact NE-O 3.19Å; R142-F152 PolarHBondContact NH2-O 3.31Å; R142-P153 PolarHBondContact NH2-O 2.96Å; R142-T154 PolarHBondContact NH2-O 3.1Å |
| 143 | S | 95.4 | Very high | 96.4 | Very high | 46 Ų | 46 | 29.4 Ų | 29.4 | 32% | 0.322 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -89 | -38.1 | 179.7 | -55 | 0 | 0 | 0 | 0 | 112.3 | L139 I140 Y141 N180 | L139-S143 PolarHBondContact O-N 3.41Å; L139-S143 PolarHBondContact O-OG 3.38Å; I140-S143 WeakPolarHBondContact O-CA 3.45Å; I140-S143 WeakPolarHBondContact O-CB 3.29Å; I140-S143 PolarHBondContact O-N 2.92Å; Y141-S143 PolarHBondContact O-N 3.46Å; S143-N180 PolarHBondContact OG-ND2 2.9Å |
| 144 | V | 95.9 | Very high | 96.3 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 4% | 0.036 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -101.1 | -17.1 | -174.9 | -50.9 | 0 | 0 | 0 | 0 | 114.3 | I140 Y141 D229 F299 | I140-V144 HydrophobicContact CD1-CG1 3.89Å; I140-V144 HydrophobicContact CG1-CG1 4.37Å; I140-V144 PolarHBondContact O-N 2.96Å; Y141-V144 PolarHBondContact O-N 2.82Å; V144-D229 HydrophobicContact CB-CB 4.19Å; V144-D229 HydrophobicContact CG1-CB 3.65Å; V144-F299 HydrophobicContact CG2-CD1 4.42Å; V144-F299 HydrophobicContact CG2-CD2 4.12Å; V144-F299 HydrophobicContact CG2-CE2 4.38Å; V144-F299 HydrophobicContact CG2-CG 4.16Å; V144-F299 VanDerWaalsContact O-CB 3.29Å; V144-F299 WeakPolarHBondContact O-CB 3.5Å |
| 145 | S | 96.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | trans | -117 | 121.6 | -175.2 | -174.8 | 0 | 0 | 0 | 0 | 112.6 | Y141 A147 V148 Y149 F299 T308 | Y141-S145 WeakPolarHBondContact O-CA 3.43Å; Y141-S145 WeakPolarHBondContact O-CB 3.49Å; Y141-S145 PolarHBondContact O-N 3.36Å; S145-A147 VanDerWaalsContact C-N 3.31Å; S145-A147 PolarHBondContact O-N 3.44Å; S145-V148 PolarHBondContact O-N 2.94Å; S145-Y149 WeakPolarHBondContact O-CB 3.34Å; S145-Y149 PolarHBondContact O-N 3.4Å; S145-F299 WeakPolarHBondContact CA-O 3.27Å; S145-F299 WeakPolarHBondContact CB-O 3.36Å; S145-F299 PolarHBondContact OG-O 3.07Å; S145-T308 PolarHBondContact OG-OG1 2.89Å; S145-T308 VanDerWaalsContact OG-OG1 3.07Å | ||
| 146 | T | 95.7 | Very high | 96.1 | Very high | 61 Ų | 61 | 37.8 Ų | 37.8 | 37% | 0.374 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.8 | -37.5 | 178 | 56.3 | 0 | 0 | 0 | 0 | 111.3 | V148 Y149 K150 F299 G300 | T146-V148 VanDerWaalsContact C-N 3.31Å; T146-V148 PolarHBondContact O-N 2.84Å; T146-Y149 PolarHBondContact O-N 3.24Å; T146-K150 WeakPolarHBondContact O-CG 3.27Å; T146-K150 PolarHBondContact O-N 3.31Å; T146-F299 PolarHBondContact N-O 3.49Å; T146-G300 WeakPolarHBondContact OG1-CA 3.4Å |
| 147 | A | 94.8 | Very high | 96.1 | Very high | 20 Ų | 20 | 40.9 Ų | 40.9 | 17% | 0.165 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.5 | -36.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S145 R151 E301 N309 | S145-A147 VanDerWaalsContact C-N 3.31Å; S145-A147 PolarHBondContact O-N 3.44Å; A147-R151 PolarHBondContact O-N 3.36Å; A147-E301 HydrophobicContact CB-CG 4.15Å; A147-N309 PolarHBondContact O-ND2 3.26Å |
| 148 | V | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -82.9 | -36 | 176.8 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | R142 S145 T146 K150 R151 F152 T308 | R142-V148 HydrophobicContact CB-CG1 4.18Å; S145-V148 PolarHBondContact O-N 2.94Å; T146-V148 VanDerWaalsContact C-N 3.31Å; T146-V148 PolarHBondContact O-N 2.84Å; V148-K150 VanDerWaalsContact C-N 3.35Å; V148-K150 PolarHBondContact O-N 3.05Å; V148-R151 PolarHBondContact O-N 3.34Å; V148-R151 VanDerWaalsContact O-N 3.16Å; V148-F152 HydrophobicContact CG1-CD2 3.77Å; V148-F152 HydrophobicContact CG1-CE2 4.08Å; V148-F152 PolarHBondContact O-N 2.97Å; V148-T308 VanDerWaalsContact CG2-OG1 3.28Å; V148-T308 WeakPolarHBondContact CG2-OG1 3.37Å |
| 149 | Y | 97.1 | Very high | 96.1 | Very high | 121 Ų | 121 | 41.9 Ų | 41.9 | 48% | 0.475 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.6 | -44.5 | 173.8 | -176.3 | -94.1 | 0 | 0 | 0 | 111.8 | R142 S145 T146 R151 F152 P153 | R142-Y149 HydrophobicContact CG-CD2 4.37Å; R142-Y149 WeakPolarHBondContact O-CD2 3.38Å; S145-Y149 WeakPolarHBondContact O-CB 3.34Å; S145-Y149 PolarHBondContact O-N 3.4Å; T146-Y149 PolarHBondContact O-N 3.24Å; Y149-R151 VanDerWaalsContact C-N 3.28Å; Y149-R151 PolarHBondContact O-N 3.45Å; Y149-F152 CarbonylContact O-C 3.57Å; Y149-F152 PolarHBondContact O-N 3.07Å; Y149-P153 WeakPolarHBondContact O-CA 3.4Å |
| 150 | K | 96.6 | Very high | 96.1 | Very high | 126 Ų | 126 | 48.4 Ų | 48.4 | 55% | 0.548 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.6 | -32.1 | 174.7 | -73.2 | -177.9 | -171.4 | 178.9 | 0 | 113.3 | T146 V148 P153 E301 | T146-K150 WeakPolarHBondContact O-CG 3.27Å; T146-K150 PolarHBondContact O-N 3.31Å; V148-K150 VanDerWaalsContact C-N 3.35Å; V148-K150 PolarHBondContact O-N 3.05Å; K150-P153 WeakPolarHBondContact O-CG 3.27Å; K150-E301 WeakPolarHBondContact CD-OE1 3.46Å; K150-E301 WeakPolarHBondContact CE-OE1 3.15Å; K150-E301 WeakPolarHBondContact CE-OE2 3.49Å; K150-E301 IonicContact NZ-OE1 3.39Å; K150-E301 PolarHBondContact NZ-OE1 3.35Å; K150-E301 IonicContact NZ-OE2 3.15Å; K150-E301 PolarHBondContact NZ-OE2 3.37Å |
| 151 | R | 96.6 | Very high | 96 | Very high | 92 Ų | 92 | 50.7 Ų | 50.7 | 35% | 0.347 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -73.3 | -31.1 | 175.2 | -173.4 | 177.7 | 175.7 | -178.7 | -0.4 | 112.7 | A147 V148 Y149 N309 D313 | A147-R151 PolarHBondContact O-N 3.36Å; V148-R151 PolarHBondContact O-N 3.34Å; V148-R151 VanDerWaalsContact O-N 3.16Å; Y149-R151 VanDerWaalsContact C-N 3.28Å; Y149-R151 PolarHBondContact O-N 3.45Å; R151-N309 WeakPolarHBondContact CD-OD1 3.39Å; R151-N309 PolarHBondContact NH1-O 2.96Å; R151-D313 IonicContact CZ-OD1 3.6Å; R151-D313 IonicContact CZ-OD2 2.72Å; R151-D313 VanDerWaalsContact NH1-CG 3.34Å; R151-D313 IonicContact NH1-OD1 3.62Å; R151-D313 PolarHBondContact NH1-OD1 3.49Å; R151-D313 IonicContact NH1-OD2 3.44Å; R151-D313 PolarHBondContact NH1-OD2 3.29Å; R151-D313 IonicContact NH2-OD1 2.71Å; R151-D313 PolarHBondContact NH2-OD1 2.89Å; R151-D313 IonicContact NH2-OD2 3.55Å; R151-D313 PolarHBondContact NH2-OD2 3.49Å |
| 152 | F | 97.1 | Very high | 95.9 | Very high | 7 Ų | 7 | 52.9 Ų | 52.9 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | trans | -130.4 | 65.2 | -178.7 | -51.7 | -67.9 | 0 | 0 | 0 | 113.4 | V138 R142 V148 Y149 T154 H157 L158 A161 L163 | V138-F152 HydrophobicContact CG1-CD2 4.01Å; V138-F152 HydrophobicContact CG1-CE2 4Å; R142-F152 VanDerWaalsContact CZ-O 3.23Å; R142-F152 PolarHBondContact NE-O 3.19Å; R142-F152 PolarHBondContact NH2-O 3.31Å; V148-F152 HydrophobicContact CG1-CD2 3.77Å; V148-F152 HydrophobicContact CG1-CE2 4.08Å; V148-F152 PolarHBondContact O-N 2.97Å; Y149-F152 CarbonylContact O-C 3.57Å; Y149-F152 PolarHBondContact O-N 3.07Å; F152-T154 PolarHBondContact O-N 3.12Å; F152-H157 HydrophobicContact CB-CB 4.28Å; F152-H157 HydrophobicContact CD1-CB 4.27Å; F152-L158 HydrophobicContact CB-CD2 3.75Å; F152-L158 HydrophobicContact CB-CG 4.47Å; F152-L158 HydrophobicContact CD1-CD2 3.92Å; F152-L158 HydrophobicContact CD2-CD2 4.09Å; F152-L158 HydrophobicContact CG-CD2 3.65Å; F152-A161 HydrophobicContact CD1-CB 4.41Å; F152-A161 HydrophobicContact CE1-CB 3.7Å; F152-L163 HydrophobicContact CE1-CD1 4.02Å; F152-L163 HydrophobicContact CE2-CD1 4.39Å; F152-L163 HydrophobicContact CZ-CD1 3.84Å | ||
| 153 | P | 96.4 | Very high | 95.8 | Very high | 52 Ų | 52 | 51.2 Ų | 51.2 | 34% | 0.338 | 28% | 0.277 | S | S | . | . | trans | -66.3 | -28.2 | -169.9 | -24.3 | 36.7 | 0 | 0 | 0 | 115.6 | R142 Y149 K150 | R142-P153 PolarHBondContact NH2-O 2.96Å; Y149-P153 WeakPolarHBondContact O-CA 3.4Å; K150-P153 WeakPolarHBondContact O-CG 3.27Å | ||
| 154 | T | 95.5 | Very high | 95.9 | Very high | 49 Ų | 49 | 49.2 Ų | 49.2 | 30% | 0.301 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -115.8 | 166.9 | 170.3 | 76.5 | 0 | 0 | 0 | 0 | 111.4 | R142 F152 E156 H157 | R142-T154 PolarHBondContact NH2-O 3.1Å; F152-T154 PolarHBondContact O-N 3.12Å; T154-E156 VanDerWaalsContact C-N 3.26Å; T154-E156 WeakPolarHBondContact CB-OE2 3.28Å; T154-E156 WeakPolarHBondContact OG1-CB 3.4Å; T154-E156 PolarHBondContact OG1-N 3.34Å; T154-E156 PolarHBondContact OG1-OE2 3.02Å; T154-H157 PolarHBondContact N-ND1 3.3Å; T154-H157 PolarHBondContact O-N 3.34Å; T154-H157 PolarHBondContact OG1-ND1 3.05Å |
| 155 | T | 93.3 | Very high | 95.9 | Very high | 38 Ų | 38 | 51.8 Ų | 51.8 | 23% | 0.233 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -64.5 | -31.6 | 171.8 | 36.3 | 0 | 0 | 0 | 0 | 112 | H157 L158 L169 E173 | T155-H157 VanDerWaalsContact C-N 3.25Å; T155-H157 PolarHBondContact O-N 3.46Å; T155-L158 VanDerWaalsContact O-CB 3.29Å; T155-L158 WeakPolarHBondContact O-CB 3.22Å; T155-L158 PolarHBondContact O-N 3.03Å; T155-L169 HydrophobicContact CG2-CD1 4.31Å; T155-E173 PolarHBondContact OG1-OE1 3.09Å |
| 156 | E | 95.2 | Very high | 95.8 | Very high | 108 Ų | 108 | 55.6 Ų | 55.6 | 51% | 0.505 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.5 | -32.9 | 176.5 | -50.7 | 152.2 | 126.5 | 0 | 0 | 112 | T154 L158 V159 Q160 L169 | T154-E156 VanDerWaalsContact C-N 3.26Å; T154-E156 WeakPolarHBondContact CB-OE2 3.28Å; T154-E156 WeakPolarHBondContact OG1-CB 3.4Å; T154-E156 PolarHBondContact OG1-N 3.34Å; T154-E156 PolarHBondContact OG1-OE2 3.02Å; E156-L158 PolarHBondContact O-N 3.44Å; E156-V159 WeakPolarHBondContact O-CA 3.35Å; E156-V159 WeakPolarHBondContact O-CB 3.44Å; E156-V159 PolarHBondContact O-N 3.08Å; E156-Q160 WeakPolarHBondContact O-CG 3.38Å; E156-Q160 PolarHBondContact O-N 3.41Å; E156-L169 HydrophobicContact CG-CD2 4.45Å |
| 157 | H | 96.9 | Very high | 95.8 | Very high | 64 Ų | 64 | 57.6 Ų | 57.6 | 30% | 0.296 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.3 | -27.3 | 175.4 | -70.7 | 70.8 | 0 | 0 | 0 | 112 | F152 T154 T155 V159 A161 | F152-H157 HydrophobicContact CB-CB 4.28Å; F152-H157 HydrophobicContact CD1-CB 4.27Å; T154-H157 PolarHBondContact N-ND1 3.3Å; T154-H157 PolarHBondContact O-N 3.34Å; T154-H157 PolarHBondContact OG1-ND1 3.05Å; T155-H157 VanDerWaalsContact C-N 3.25Å; T155-H157 PolarHBondContact O-N 3.46Å; H157-V159 VanDerWaalsContact C-N 3.35Å; H157-A161 WeakPolarHBondContact O-CB 3.37Å; H157-A161 PolarHBondContact O-N 2.92Å |
| 158 | L | 95.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -73.4 | -28.7 | 173.7 | -55.5 | 173.6 | 0 | 0 | 0 | 112 | V138 L139 F152 T155 E156 L163 M164 | V138-L158 HydrophobicContact CG1-CD2 3.63Å; L139-L158 HydrophobicContact CD2-CD1 3.67Å; F152-L158 HydrophobicContact CB-CD2 3.75Å; F152-L158 HydrophobicContact CB-CG 4.47Å; F152-L158 HydrophobicContact CD1-CD2 3.92Å; F152-L158 HydrophobicContact CD2-CD2 4.09Å; F152-L158 HydrophobicContact CG-CD2 3.65Å; T155-L158 VanDerWaalsContact O-CB 3.29Å; T155-L158 WeakPolarHBondContact O-CB 3.22Å; T155-L158 PolarHBondContact O-N 3.03Å; E156-L158 PolarHBondContact O-N 3.44Å; L158-L163 HydrophobicContact CD2-CD1 3.92Å; L158-L163 WeakPolarHBondContact O-CB 3.29Å; L158-L163 PolarHBondContact O-N 2.88Å; L158-M164 HydrophobicContact CB-CB 4.34Å; L158-M164 HydrophobicContact CB-CE 4.43Å; L158-M164 HydrophobicContact CD1-CE 4.01Å; L158-M164 PolarHBondContact O-N 3.49Å; L158-M164 VanDerWaalsContact O-N 3.12Å |
| 159 | V | 96.6 | Very high | 95.8 | Very high | 31 Ų | 31 | 58.4 Ų | 58.4 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -77.1 | -45.6 | 173.8 | -179 | 0 | 0 | 0 | 0 | 110.5 | E156 H157 A161 G162 M164 L169 | E156-V159 WeakPolarHBondContact O-CA 3.35Å; E156-V159 WeakPolarHBondContact O-CB 3.44Å; E156-V159 PolarHBondContact O-N 3.08Å; H157-V159 VanDerWaalsContact C-N 3.35Å; V159-A161 PolarHBondContact O-N 3.16Å; V159-G162 PolarHBondContact O-N 3.05Å; V159-M164 WeakPolarHBondContact CA-O 3.18Å; V159-M164 HydrophobicContact CG2-CB 4.04Å; V159-M164 HydrophobicContact CG2-CG 4.27Å; V159-M164 HydrophobicContact CG2-SD 4.24Å; V159-L169 HydrophobicContact CG2-CB 3.9Å; V159-L169 HydrophobicContact CG2-CD2 3.81Å; V159-L169 HydrophobicContact CG2-CG 4.4Å |
| 160 | Q | 95.7 | Very high | 95.8 | Very high | 148 Ų | 148 | 57.9 Ų | 57.9 | 69% | 0.692 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.5 | -34.2 | 174.9 | -67.4 | 172.4 | 10.1 | 0 | 0 | 112.4 | E156 G162 | E156-Q160 WeakPolarHBondContact O-CG 3.38Å; E156-Q160 PolarHBondContact O-N 3.41Å; Q160-G162 VanDerWaalsContact C-N 3.29Å; Q160-G162 PolarHBondContact O-N 3.28Å |
| 161 | A | 94.8 | Very high | 95.6 | Very high | 48 Ų | 48 | 56.4 Ų | 56.4 | 40% | 0.397 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 3.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F152 H157 V159 L163 | F152-A161 HydrophobicContact CD1-CB 4.41Å; F152-A161 HydrophobicContact CE1-CB 3.7Å; H157-A161 WeakPolarHBondContact O-CB 3.37Å; H157-A161 PolarHBondContact O-N 2.92Å; V159-A161 PolarHBondContact O-N 3.16Å; A161-L163 HydrophobicContact CB-CD1 4.2Å; A161-L163 HydrophobicContact CB-CG 4.25Å; A161-L163 PolarHBondContact O-N 3.43Å |
| 162 | G | 94.3 | Very high | 95.5 | Very high | 50 Ų | 50 | 52.5 Ų | 52.5 | 52% | 0.515 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 10.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | V159 Q160 | V159-G162 PolarHBondContact O-N 3.05Å; Q160-G162 VanDerWaalsContact C-N 3.29Å; Q160-G162 PolarHBondContact O-N 3.28Å |
| 163 | L | 95.3 | Very high | 95.4 | Very high | 6 Ų | 6 | 57.3 Ų | 57.3 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -77 | -36.1 | 178.1 | -60.9 | 168.4 | 0 | 0 | 0 | 111.2 | R131 L135 V138 F152 L158 A161 L316 | R131-L163 WeakPolarHBondContact CD-O 3.5Å; R131-L163 VanDerWaalsContact CG-O 3.31Å; R131-L163 WeakPolarHBondContact CG-O 3.32Å; R131-L163 PolarHBondContact NH1-O 2.94Å; L135-L163 HydrophobicContact CD1-CB 4.47Å; V138-L163 HydrophobicContact CB-CD1 4.46Å; V138-L163 HydrophobicContact CG1-CD1 4.02Å; V138-L163 HydrophobicContact CG2-CD1 4.1Å; V138-L163 HydrophobicContact CG2-CD2 4.46Å; F152-L163 HydrophobicContact CE1-CD1 4.02Å; F152-L163 HydrophobicContact CE2-CD1 4.39Å; F152-L163 HydrophobicContact CZ-CD1 3.84Å; L158-L163 HydrophobicContact CD2-CD1 3.92Å; L158-L163 WeakPolarHBondContact O-CB 3.29Å; L158-L163 PolarHBondContact O-N 2.88Å; A161-L163 HydrophobicContact CB-CD1 4.2Å; A161-L163 HydrophobicContact CB-CG 4.25Å; A161-L163 PolarHBondContact O-N 3.43Å; L163-L316 HydrophobicContact CD2-CD1 4.07Å; L163-L316 HydrophobicContact CD2-CD2 3.87Å |
| 164 | M | 95.8 | Very high | 95.3 | Very high | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.02 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -123.2 | 151.5 | 179.5 | -168.4 | -172.8 | -61.5 | 0 | 0 | 109.6 | L135 L158 V159 E168 L169 L172 | L135-M164 HydrophobicContact CD1-CB 4.11Å; L135-M164 HydrophobicContact CD1-CE 3.77Å; L135-M164 HydrophobicContact CD2-CB 4.19Å; L135-M164 HydrophobicContact CD2-CE 4.12Å; L135-M164 HydrophobicContact CD2-CG 4.04Å; L135-M164 HydrophobicContact CG-CE 4.43Å; L158-M164 HydrophobicContact CB-CB 4.34Å; L158-M164 HydrophobicContact CB-CE 4.43Å; L158-M164 HydrophobicContact CD1-CE 4.01Å; L158-M164 PolarHBondContact O-N 3.49Å; L158-M164 VanDerWaalsContact O-N 3.12Å; V159-M164 WeakPolarHBondContact CA-O 3.18Å; V159-M164 HydrophobicContact CG2-CB 4.04Å; V159-M164 HydrophobicContact CG2-CG 4.27Å; V159-M164 HydrophobicContact CG2-SD 4.24Å; M164-E168 HydrophobicContact CG-CB 3.65Å; M164-E168 HydrophobicContact SD-CB 4.48Å; M164-L169 VanDerWaalsContact SD-CA 3.5Å; M164-L169 HydrophobicContact SD-CB 3.67Å; M164-L169 HydrophobicContact SD-CD1 3.85Å; M164-L169 HydrophobicContact SD-CG 4.37Å; M164-L172 HydrophobicContact CE-CD2 3.56Å; M164-L172 HydrophobicContact SD-CD2 4.22Å |
| 165 | T | 96.8 | Very high | 95.3 | Very high | 60 Ų | 60 | 60.4 Ų | 60.4 | 37% | 0.368 | 32% | 0.323 | S | S | . | . | trans | -93.8 | 159.9 | 169.2 | 67 | 0 | 0 | 0 | 0 | 111.6 | E167 E168 L169 | T165-E167 VanDerWaalsContact C-N 3.26Å; T165-E167 PolarHBondContact O-N 2.94Å; T165-E168 VanDerWaalsContact CG2-OE1 3.29Å; T165-E168 WeakPolarHBondContact CG2-OE1 3.45Å; T165-E168 PolarHBondContact N-OE2 3.26Å; T165-E168 WeakPolarHBondContact O-CB 3.49Å; T165-E168 PolarHBondContact O-N 3.06Å; T165-E168 VanDerWaalsContact O-N 3.14Å; T165-E168 VanDerWaalsContact OG1-CG 3.32Å; T165-E168 WeakPolarHBondContact OG1-CG 3Å; T165-E168 PolarHBondContact OG1-N 3.44Å; T165-E168 PolarHBondContact OG1-OE1 3.45Å; T165-L169 PolarHBondContact O-N 2.73Å | ||
| 166 | S | 95.9 | Very high | 95.2 | Very high | 82 Ų | 82 | 64.9 Ų | 64.9 | 57% | 0.573 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.3 | -34.5 | 178.7 | -47.5 | 0 | 0 | 0 | 0 | 113.1 | L169 R170 | S166-L169 PolarHBondContact O-N 3.07Å; S166-R170 PolarHBondContact O-N 3.39Å |
| 167 | E | 95.4 | Very high | 95.1 | Very high | 104 Ų | 104 | 61.3 Ų | 61.3 | 49% | 0.486 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72.4 | -34.5 | 175.8 | -68.2 | -56.2 | 121.8 | 0 | 0 | 112.4 | T165 R170 H171 | T165-E167 VanDerWaalsContact C-N 3.26Å; T165-E167 PolarHBondContact O-N 2.94Å; E167-R170 PolarHBondContact O-N 3.36Å; E167-R170 IonicContact OE1-NE 3.85Å; E167-R170 IonicContact OE2-CZ 2.89Å; E167-R170 VanDerWaalsContact OE2-CZ 3.25Å; E167-R170 IonicContact OE2-NE 2.99Å; E167-R170 PolarHBondContact OE2-NE 2.69Å; E167-R170 IonicContact OE2-NH2 3.68Å; E167-R170 PolarHBondContact OE2-NH2 3.45Å; E167-H171 WeakPolarHBondContact O-CB 3.34Å; E167-H171 PolarHBondContact O-CD2 2.75Å; E167-H171 PolarHBondContact O-N 2.82Å |
| 168 | E | 96.3 | Very high | 94.9 | Very high | 16 Ų | 16 | 64.1 Ų | 64.1 | 8% | 0.075 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.5 | -37.9 | 169.8 | -75 | 152.6 | -134.7 | 0 | 0 | 111.9 | R131 Y132 M164 T165 H171 L172 W188 | R131-E168 IonicContact CZ-OE1 2.74Å; R131-E168 IonicContact CZ-OE2 2.62Å; R131-E168 IonicContact NH1-OE1 3.27Å; R131-E168 PolarHBondContact NH1-OE1 2.84Å; R131-E168 IonicContact NH1-OE2 3.42Å; R131-E168 PolarHBondContact NH1-OE2 2.96Å; R131-E168 IonicContact NH2-OE1 3.27Å; R131-E168 PolarHBondContact NH2-OE1 3.32Å; R131-E168 IonicContact NH2-OE2 3.43Å; Y132-E168 HydrophobicContact CE1-CG 4.36Å; M164-E168 HydrophobicContact CG-CB 3.65Å; M164-E168 HydrophobicContact SD-CB 4.48Å; T165-E168 VanDerWaalsContact CG2-OE1 3.29Å; T165-E168 WeakPolarHBondContact CG2-OE1 3.45Å; T165-E168 PolarHBondContact N-OE2 3.26Å; T165-E168 WeakPolarHBondContact O-CB 3.49Å; T165-E168 PolarHBondContact O-N 3.06Å; T165-E168 VanDerWaalsContact O-N 3.14Å; T165-E168 VanDerWaalsContact OG1-CG 3.32Å; T165-E168 WeakPolarHBondContact OG1-CG 3Å; T165-E168 PolarHBondContact OG1-N 3.44Å; T165-E168 PolarHBondContact OG1-OE1 3.45Å; E168-H171 CarbonylContact O-C 3.48Å; E168-H171 PolarHBondContact O-N 3.09Å; E168-L172 VanDerWaalsContact O-CB 3.25Å; E168-L172 WeakPolarHBondContact O-CB 2.92Å; E168-L172 PolarHBondContact O-N 3.38Å; E168-W188 HydrophobicContact CB-CH2 3.91Å; E168-W188 HydrophobicContact CB-CZ3 3.87Å; E168-W188 HydrophobicContact CG-CE3 4.48Å; E168-W188 HydrophobicContact CG-CH2 4.27Å; E168-W188 HydrophobicContact CG-CZ3 3.88Å; E168-W188 WeakPolarHBondContact O-CH2 3.48Å |
| 169 | L | 95.4 | Very high | 94.8 | Very high | 21 Ų | 21 | 70.7 Ų | 70.7 | 11% | 0.11 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.9 | -48.6 | 174.9 | -179.6 | 57.3 | 0 | 0 | 0 | 110.4 | T155 E156 V159 M164 T165 S166 H171 L172 E173 | T155-L169 HydrophobicContact CG2-CD1 4.31Å; E156-L169 HydrophobicContact CG-CD2 4.45Å; V159-L169 HydrophobicContact CG2-CB 3.9Å; V159-L169 HydrophobicContact CG2-CD2 3.81Å; V159-L169 HydrophobicContact CG2-CG 4.4Å; M164-L169 VanDerWaalsContact SD-CA 3.5Å; M164-L169 HydrophobicContact SD-CB 3.67Å; M164-L169 HydrophobicContact SD-CD1 3.85Å; M164-L169 HydrophobicContact SD-CG 4.37Å; T165-L169 PolarHBondContact O-N 2.73Å; S166-L169 PolarHBondContact O-N 3.07Å; L169-H171 PolarHBondContact O-N 3.35Å; L169-L172 WeakPolarHBondContact O-CB 3.3Å; L169-L172 PolarHBondContact O-N 2.73Å; L169-L172 VanDerWaalsContact O-N 3.09Å; L169-E173 HydrophobicContact CD1-CG 4.07Å; L169-E173 WeakPolarHBondContact CD1-OE1 3.46Å; L169-E173 WeakPolarHBondContact O-CB 3.29Å; L169-E173 WeakPolarHBondContact O-CG 3.44Å; L169-E173 PolarHBondContact O-N 3.26Å |
| 170 | R | 95.3 | Very high | 94.7 | Very high | 110 Ų | 110 | 72 Ų | 72 | 42% | 0.415 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -55.1 | -50.2 | 174.4 | -168.5 | 174.5 | 65.7 | 73.2 | -4.8 | 111.4 | S166 E167 L172 E173 D174 | S166-R170 PolarHBondContact O-N 3.39Å; E167-R170 PolarHBondContact O-N 3.36Å; E167-R170 IonicContact OE1-NE 3.85Å; E167-R170 IonicContact OE2-CZ 2.89Å; E167-R170 VanDerWaalsContact OE2-CZ 3.25Å; E167-R170 IonicContact OE2-NE 2.99Å; E167-R170 PolarHBondContact OE2-NE 2.69Å; E167-R170 IonicContact OE2-NH2 3.68Å; E167-R170 PolarHBondContact OE2-NH2 3.45Å; R170-L172 VanDerWaalsContact C-N 3.32Å; R170-L172 PolarHBondContact O-N 3.01Å; R170-E173 PolarHBondContact O-N 3Å; R170-D174 IonicContact NH1-OD2 2.68Å; R170-D174 PolarHBondContact NH1-OD2 3.21Å; R170-D174 VanDerWaalsContact O-CB 3.3Å; R170-D174 WeakPolarHBondContact O-CB 3.42Å; R170-D174 PolarHBondContact O-N 3.33Å |
| 171 | H | 94.1 | Very high | 94.7 | Very high | 95 Ų | 95 | 67 Ų | 67 | 44% | 0.44 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.4 | -28.1 | 176.2 | -78.3 | -53.1 | 0 | 0 | 0 | 114.6 | E167 E168 L169 L175 W188 | E167-H171 WeakPolarHBondContact O-CB 3.34Å; E167-H171 PolarHBondContact O-CD2 2.75Å; E167-H171 PolarHBondContact O-N 2.82Å; E168-H171 CarbonylContact O-C 3.48Å; E168-H171 PolarHBondContact O-N 3.09Å; L169-H171 PolarHBondContact O-N 3.35Å; H171-L175 WeakPolarHBondContact O-CD1 3.39Å; H171-L175 WeakPolarHBondContact O-CG 3.45Å; H171-W188 HydrophobicContact CB-CZ2 4.11Å |
| 172 | L | 94.4 | Very high | 94.7 | Very high | 9 Ų | 9 | 65 Ų | 65 | 5% | 0.047 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -74 | -37.6 | 174.9 | -172 | 64.1 | 0 | 0 | 0 | 111.1 | M164 E168 L169 R170 K181 V184 W188 | M164-L172 HydrophobicContact CE-CD2 3.56Å; M164-L172 HydrophobicContact SD-CD2 4.22Å; E168-L172 VanDerWaalsContact O-CB 3.25Å; E168-L172 WeakPolarHBondContact O-CB 2.92Å; E168-L172 PolarHBondContact O-N 3.38Å; L169-L172 WeakPolarHBondContact O-CB 3.3Å; L169-L172 PolarHBondContact O-N 2.73Å; L169-L172 VanDerWaalsContact O-N 3.09Å; R170-L172 VanDerWaalsContact C-N 3.32Å; R170-L172 PolarHBondContact O-N 3.01Å; L172-K181 HydrophobicContact CD1-CB 3.73Å; L172-K181 HydrophobicContact CD1-CD 4.05Å; L172-K181 HydrophobicContact CG-CB 4.46Å; L172-K181 HydrophobicContact CG-CD 4.21Å; L172-K181 VanDerWaalsContact O-CD 3.25Å; L172-K181 WeakPolarHBondContact O-CD 3.39Å; L172-K181 PolarHBondContact O-NZ 2.76Å; L172-V184 HydrophobicContact CD1-CB 3.76Å; L172-V184 HydrophobicContact CD1-CG1 3.75Å; L172-V184 HydrophobicContact CD1-CG2 4.09Å; L172-W188 HydrophobicContact CB-CH2 4.07Å; L172-W188 HydrophobicContact CB-CZ2 4.44Å; L172-W188 HydrophobicContact CD1-CH2 4.38Å |
| 173 | E | 93.7 | Very high | 94.8 | Very high | 108 Ų | 108 | 67.3 Ų | 67.3 | 51% | 0.505 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -76.9 | -44.8 | -179.6 | -70.8 | 179.8 | 170.8 | 0 | 0 | 111.6 | T155 L169 R170 L175 K181 | T155-E173 PolarHBondContact OG1-OE1 3.09Å; L169-E173 HydrophobicContact CD1-CG 4.07Å; L169-E173 WeakPolarHBondContact CD1-OE1 3.46Å; L169-E173 WeakPolarHBondContact O-CB 3.29Å; L169-E173 WeakPolarHBondContact O-CG 3.44Å; L169-E173 PolarHBondContact O-N 3.26Å; R170-E173 PolarHBondContact O-N 3Å; E173-L175 PolarHBondContact O-N 3.31Å; E173-K181 PolarHBondContact O-NZ 3.12Å |
| 174 | D | 95.5 | Very high | 94.8 | Very high | 103 Ų | 103 | 67.1 Ų | 67.1 | 55% | 0.551 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -53 | -25.9 | 175.4 | -76.9 | -22.5 | 0 | 0 | 0 | 113.5 | R170 P176 | R170-D174 IonicContact NH1-OD2 2.68Å; R170-D174 PolarHBondContact NH1-OD2 3.21Å; R170-D174 VanDerWaalsContact O-CB 3.3Å; R170-D174 WeakPolarHBondContact O-CB 3.42Å; R170-D174 PolarHBondContact O-N 3.33Å; D174-P176 WeakPolarHBondContact O-CD 3.34Å |
| 175 | L | 93.9 | Very high | 94.9 | Very high | 64 Ų | 64 | 67 Ų | 67 | 34% | 0.335 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -69.1 | 119.1 | 179.9 | -79.6 | 166.5 | 0 | 0 | 0 | 112.4 | H171 E173 S177 K181 V184 | H171-L175 WeakPolarHBondContact O-CD1 3.39Å; H171-L175 WeakPolarHBondContact O-CG 3.45Å; E173-L175 PolarHBondContact O-N 3.31Å; L175-S177 VanDerWaalsContact C-N 3.33Å; L175-S177 PolarHBondContact O-N 2.75Å; L175-K181 WeakPolarHBondContact O-CE 3.49Å; L175-K181 PolarHBondContact O-NZ 2.89Å; L175-V184 HydrophobicContact CD1-CB 4.43Å; L175-V184 HydrophobicContact CD1-CG1 3.57Å; L175-V184 HydrophobicContact CD1-CG2 3.93Å |
| 176 | P | 92.6 | Very high | 94.9 | Very high | 132 Ų | 132 | 64.3 Ų | 64.3 | 86% | 0.857 | 33% | 0.334 | S | S | * | . | trans | -78.5 | 77.8 | -177 | 32.9 | -36.1 | 0 | 0 | 0 | 111.6 | D174 | D174-P176 WeakPolarHBondContact O-CD 3.34Š| ||
| 177 | S | 92.4 | Very high | 94.9 | Very high | 32 Ų | 32 | 63.3 Ų | 63.3 | 22% | 0.224 | 32% | 0.324 | C | S | . | . | trans | -134.2 | 126.5 | 174.3 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | L175 H179 K181 | L175-S177 VanDerWaalsContact C-N 3.33Å; L175-S177 PolarHBondContact O-N 2.75Å; S177-H179 VanDerWaalsContact C-N 3.26Å; S177-H179 PolarHBondContact OG-N 2.85Å; S177-K181 WeakPolarHBondContact O-CE 3.42Å | ||
| 178 | P | 93.3 | Very high | 95 | Very high | 124 Ų | 124 | 60.4 Ų | 60.4 | 81% | 0.805 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -80.9 | -6.5 | 172.2 | 35.4 | -36 | 0 | 0 | 0 | 112.7 | ||
| 179 | H | 94.1 | Very high | 95.1 | Very high | 137 Ų | 137 | 59.7 Ų | 59.7 | 63% | 0.634 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -92 | 156.7 | -178 | -54 | -63 | 0 | 0 | 0 | 111.6 | S177 K181 | S177-H179 VanDerWaalsContact C-N 3.26Å; S177-H179 PolarHBondContact OG-N 2.85Å; H179-K181 WeakPolarHBondContact O-CG 3.2Å; H179-K181 PolarHBondContact O-N 2.86Å |
| 180 | N | 93.9 | Very high | 95.2 | Very high | 58 Ų | 58 | 60.8 Ų | 60.8 | 31% | 0.31 | 31% | 0.313 | S | S | . | . | trans | -54.5 | 124.8 | 178.4 | -170.3 | -21.2 | 0 | 0 | 0 | 111.2 | S143 F182 W183 | S143-N180 PolarHBondContact OG-ND2 2.9Å; N180-F182 VanDerWaalsContact C-N 3.34Å; N180-F182 HydrophobicContact CB-CD1 4.08Å; N180-F182 HydrophobicContact CB-CE1 4.48Å; N180-F182 PolarHBondContact O-N 3.26Å; N180-F182 PolarHBondContact OD1-N 3.07Å; N180-W183 PolarHBondContact O-NE1 2.85Å | ||
| 181 | K | 95.3 | Very high | 95.3 | Very high | 43 Ų | 43 | 60 Ų | 60 | 19% | 0.187 | 32% | 0.317 | C | S | . | . | trans | -89.3 | 13.6 | -167.9 | -58.6 | -176.2 | 176.4 | 179.4 | 0 | 113.9 | L172 E173 L175 S177 H179 W183 V184 | L172-K181 HydrophobicContact CD1-CB 3.73Å; L172-K181 HydrophobicContact CD1-CD 4.05Å; L172-K181 HydrophobicContact CG-CB 4.46Å; L172-K181 HydrophobicContact CG-CD 4.21Å; L172-K181 VanDerWaalsContact O-CD 3.25Å; L172-K181 WeakPolarHBondContact O-CD 3.39Å; L172-K181 PolarHBondContact O-NZ 2.76Å; E173-K181 PolarHBondContact O-NZ 3.12Å; L175-K181 WeakPolarHBondContact O-CE 3.49Å; L175-K181 PolarHBondContact O-NZ 2.89Å; S177-K181 WeakPolarHBondContact O-CE 3.42Å; H179-K181 WeakPolarHBondContact O-CG 3.2Å; H179-K181 PolarHBondContact O-N 2.86Å; K181-W183 PolarHBondContact O-N 2.93Å; K181-V184 HydrophobicContact CB-CG2 3.96Å; K181-V184 WeakPolarHBondContact O-CB 3.21Å; K181-V184 WeakPolarHBondContact O-CG2 3.17Å; K181-V184 PolarHBondContact O-N 2.71Å | ||
| 182 | F | 95.2 | Very high | 95.5 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.035 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -20.7 | -179.2 | 73.6 | -92.1 | 0 | 0 | 0 | 115.2 | S136 L139 I140 N180 C222 M223 Y226 | S136-F182 WeakPolarHBondContact CB-O 3.17Å; S136-F182 PolarHBondContact OG-O 2.86Å; L139-F182 HydrophobicContact CB-CB 3.71Å; I140-F182 HydrophobicContact CB-CB 4.49Å; I140-F182 HydrophobicContact CB-CD2 4.35Å; I140-F182 HydrophobicContact CB-CG 4.47Å; N180-F182 VanDerWaalsContact C-N 3.34Å; N180-F182 HydrophobicContact CB-CD1 4.08Å; N180-F182 HydrophobicContact CB-CE1 4.48Å; N180-F182 PolarHBondContact O-N 3.26Å; N180-F182 PolarHBondContact OD1-N 3.07Å; F182-C222 HydrophobicContact CD2-CB 4.31Å; F182-C222 HydrophobicContact CE2-CB 4.14Å; F182-M223 HydrophobicContact CE2-SD 3.88Å; F182-M223 HydrophobicContact CZ-SD 3.62Å; F182-Y226 AromaticContact CE1-CD2 3.96Å; F182-Y226 HydrophobicContact CE1-CD2 3.96Å; F182-Y226 HydrophobicContact CE1-CE2 4.41Å; F182-Y226 HydrophobicContact CE1-CG 4.2Å; F182-Y226 HydrophobicContact CZ-CD2 4.48Å; F182-Y226 HydrophobicContact CZ-CG 4.29Å |
| 183 | W | 95.4 | Very high | 95.6 | Very high | 97 Ų | 97 | 56.4 Ų | 56.4 | 37% | 0.367 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -19.5 | 176.3 | 59.1 | -92.2 | 0 | 0 | 0 | 114 | N180 K181 C186 T187 | N180-W183 PolarHBondContact O-NE1 2.85Å; K181-W183 PolarHBondContact O-N 2.93Å; W183-C186 WeakPolarHBondContact O-CB 3.23Å; W183-C186 PolarHBondContact O-N 3.08Å; W183-C186 VanDerWaalsContact O-N 3.11Å; W183-T187 PolarHBondContact O-N 2.92Å |
| 184 | V | 96.7 | Very high | 95.7 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -43.7 | -173.4 | 172.5 | 0 | 0 | 0 | 0 | 112.7 | L172 L175 K181 C186 T187 W188 | L172-V184 HydrophobicContact CD1-CB 3.76Å; L172-V184 HydrophobicContact CD1-CG1 3.75Å; L172-V184 HydrophobicContact CD1-CG2 4.09Å; L175-V184 HydrophobicContact CD1-CB 4.43Å; L175-V184 HydrophobicContact CD1-CG1 3.57Å; L175-V184 HydrophobicContact CD1-CG2 3.93Å; K181-V184 HydrophobicContact CB-CG2 3.96Å; K181-V184 WeakPolarHBondContact O-CB 3.21Å; K181-V184 WeakPolarHBondContact O-CG2 3.17Å; K181-V184 PolarHBondContact O-N 2.71Å; V184-C186 PolarHBondContact O-N 3.26Å; V184-T187 WeakPolarHBondContact O-CA 3.06Å; V184-T187 WeakPolarHBondContact O-CB 3.4Å; V184-T187 PolarHBondContact O-N 3.16Å; V184-W188 HydrophobicContact CG1-CD2 4.05Å; V184-W188 VanDerWaalsContact CG1-CE2 3.42Å; V184-W188 HydrophobicContact CG1-CH2 4.2Å; V184-W188 HydrophobicContact CG1-CZ2 3.52Å; V184-W188 PolarHBondContact O-N 2.99Å |
| 185 | P | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.7 | -28.4 | 175.5 | -22.8 | 34.3 | 0 | 0 | 0 | 113.6 | Y132 L135 L139 W188 F189 | Y132-P185 VanDerWaalsContact O-CB 3.25Å; Y132-P185 WeakPolarHBondContact O-CB 3.13Å; L135-P185 HydrophobicContact CB-CB 4.4Å; L135-P185 HydrophobicContact CB-CG 4.35Å; L135-P185 HydrophobicContact CD2-CB 4.35Å; L135-P185 HydrophobicContact CD2-CG 3.92Å; L135-P185 HydrophobicContact CG-CB 4.41Å; L135-P185 HydrophobicContact CG-CG 3.87Å; L139-P185 HydrophobicContact CD1-CG 3.9Å; P185-W188 HydrophobicContact CB-CE3 4.29Å; P185-W188 HydrophobicContact CG-CE3 4.45Å; P185-W188 HydrophobicContact CG-CZ3 4.48Å; P185-W188 PolarHBondContact O-N 3.25Å; P185-F189 WeakPolarHBondContact O-CB 3.32Å; P185-F189 PolarHBondContact O-N 3.12Å |
| 186 | C | 96.9 | Very high | 95.8 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.034 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65 | -40.8 | 171.3 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | S136 W183 V184 F189 V190 | S136-C186 PolarHBondContact OG-SG 3.45Å; S136-C186 VanDerWaalsContact OG-SG 3.34Å; W183-C186 WeakPolarHBondContact O-CB 3.23Å; W183-C186 PolarHBondContact O-N 3.08Å; W183-C186 VanDerWaalsContact O-N 3.11Å; V184-C186 PolarHBondContact O-N 3.26Å; C186-F189 WeakPolarHBondContact O-CB 3.16Å; C186-F189 PolarHBondContact O-N 3.48Å; C186-V190 WeakPolarHBondContact O-CG2 2.95Å; C186-V190 PolarHBondContact O-N 3.12Å |
| 187 | T | 96.6 | Very high | 95.9 | Very high | 61 Ų | 61 | 51.5 Ų | 51.5 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 174.5 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | W183 V184 F189 V190 N191 | W183-T187 PolarHBondContact O-N 2.92Å; V184-T187 WeakPolarHBondContact O-CA 3.06Å; V184-T187 WeakPolarHBondContact O-CB 3.4Å; V184-T187 PolarHBondContact O-N 3.16Å; T187-F189 VanDerWaalsContact C-N 3.33Å; T187-F189 PolarHBondContact O-N 2.85Å; T187-V190 PolarHBondContact O-N 3.21Å; T187-N191 PolarHBondContact O-N 3.48Å; T187-N191 VanDerWaalsContact O-N 3.12Å; T187-N191 PolarHBondContact O-ND2 3.3Å |
| 188 | W | 97.8 | Very high | 96 | Very high | 43 Ų | 43 | 55.8 Ų | 55.8 | 16% | 0.163 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 173 | -61.9 | -20.4 | 0 | 0 | 0 | 112.5 | Y132 L135 E168 H171 L172 V184 P185 N191 L192 | Y132-W188 HydrophobicContact CD1-CE3 4.08Å; Y132-W188 HydrophobicContact CD2-CB 3.85Å; Y132-W188 AromaticContact CE1-CE3 3.86Å; Y132-W188 HydrophobicContact CE1-CE3 3.86Å; Y132-W188 HydrophobicContact CE2-CB 3.64Å; Y132-W188 HydrophobicContact CG-CB 4.38Å; L135-W188 HydrophobicContact CD2-CZ3 4.31Å; E168-W188 HydrophobicContact CB-CH2 3.91Å; E168-W188 HydrophobicContact CB-CZ3 3.87Å; E168-W188 HydrophobicContact CG-CE3 4.48Å; E168-W188 HydrophobicContact CG-CH2 4.27Å; E168-W188 HydrophobicContact CG-CZ3 3.88Å; E168-W188 WeakPolarHBondContact O-CH2 3.48Å; H171-W188 HydrophobicContact CB-CZ2 4.11Å; L172-W188 HydrophobicContact CB-CH2 4.07Å; L172-W188 HydrophobicContact CB-CZ2 4.44Å; L172-W188 HydrophobicContact CD1-CH2 4.38Å; V184-W188 HydrophobicContact CG1-CD2 4.05Å; V184-W188 VanDerWaalsContact CG1-CE2 3.42Å; V184-W188 HydrophobicContact CG1-CH2 4.2Å; V184-W188 HydrophobicContact CG1-CZ2 3.52Å; V184-W188 PolarHBondContact O-N 2.99Å; P185-W188 HydrophobicContact CB-CE3 4.29Å; P185-W188 HydrophobicContact CG-CE3 4.45Å; P185-W188 HydrophobicContact CG-CZ3 4.48Å; P185-W188 PolarHBondContact O-N 3.25Å; W188-N191 PolarHBondContact O-N 3.24Å; W188-L192 WeakPolarHBondContact O-CB 3.26Å; W188-L192 PolarHBondContact O-N 3.45Å |
| 189 | F | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.4 | -47.6 | 173.3 | -173.8 | -71.8 | 0 | 0 | 0 | 111.8 | L107 V111 L129 Y132 V133 P185 C186 T187 N191 L192 A193 I211 L215 | L107-F189 HydrophobicContact CD1-CZ 3.88Å; L107-F189 HydrophobicContact CD2-CE2 4.12Å; L107-F189 HydrophobicContact CD2-CZ 3.95Å; L107-F189 HydrophobicContact CG-CE2 4.41Å; L107-F189 HydrophobicContact CG-CZ 4.05Å; V111-F189 HydrophobicContact CG2-CZ 4.1Å; L129-F189 HydrophobicContact CB-CD2 4.06Å; L129-F189 HydrophobicContact CB-CE2 3.67Å; L129-F189 HydrophobicContact CB-CZ 4.33Å; L129-F189 HydrophobicContact CD2-CD1 4.05Å; L129-F189 HydrophobicContact CD2-CD2 3.68Å; L129-F189 HydrophobicContact CD2-CE1 4.09Å; L129-F189 HydrophobicContact CD2-CE2 3.73Å; L129-F189 HydrophobicContact CD2-CG 3.85Å; L129-F189 HydrophobicContact CD2-CZ 3.94Å; L129-F189 HydrophobicContact CG-CD2 4.5Å; L129-F189 HydrophobicContact CG-CE2 4.27Å; L129-F189 WeakPolarHBondContact O-CD2 3.34Å; L129-F189 WeakPolarHBondContact O-CE2 3.28Å; Y132-F189 HydrophobicContact CD2-CB 4.37Å; V133-F189 HydrophobicContact CG2-CD2 3.53Å; V133-F189 HydrophobicContact CG2-CE2 3.43Å; V133-F189 VanDerWaalsContact CG2-CE2 3.43Å; V133-F189 HydrophobicContact CG2-CZ 4.41Å; P185-F189 WeakPolarHBondContact O-CB 3.32Å; P185-F189 PolarHBondContact O-N 3.12Å; C186-F189 WeakPolarHBondContact O-CB 3.16Å; C186-F189 PolarHBondContact O-N 3.48Å; T187-F189 VanDerWaalsContact C-N 3.33Å; T187-F189 PolarHBondContact O-N 2.85Å; F189-N191 VanDerWaalsContact C-N 3.31Å; F189-N191 PolarHBondContact O-N 2.94Å; F189-L192 PolarHBondContact O-N 2.97Å; F189-A193 HydrophobicContact CD1-CB 4.42Å; F189-A193 HydrophobicContact CE1-CB 4.34Å; F189-A193 WeakPolarHBondContact O-CB 3.36Å; F189-A193 PolarHBondContact O-N 3.07Å; F189-I211 HydrophobicContact CE1-CG2 3.54Å; F189-I211 HydrophobicContact CZ-CG2 3.88Å; F189-L215 HydrophobicContact CB-CD1 4.13Å; F189-L215 HydrophobicContact CB-CD2 4.24Å; F189-L215 HydrophobicContact CD1-CB 4.5Å; F189-L215 HydrophobicContact CD1-CD1 3.76Å; F189-L215 HydrophobicContact CD1-CD2 3.52Å; F189-L215 HydrophobicContact CD1-CG 4.11Å; F189-L215 HydrophobicContact CD2-CD1 4.13Å; F189-L215 HydrophobicContact CE1-CB 4.36Å; F189-L215 HydrophobicContact CE1-CD1 4.13Å; F189-L215 HydrophobicContact CE1-CD2 4.16Å; F189-L215 HydrophobicContact CE1-CG 4.44Å; F189-L215 HydrophobicContact CE2-CD1 4.48Å; F189-L215 HydrophobicContact CG-CD1 3.75Å; F189-L215 HydrophobicContact CG-CD2 4.12Å; F189-L215 HydrophobicContact CZ-CD1 4.48Å |
| 190 | V | 97.6 | Very high | 95.9 | Very high | 44 Ų | 44 | 50.5 Ų | 50.5 | 27% | 0.267 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56.8 | -47.5 | 177.3 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | C186 T187 L192 A193 L194 L212 L215 | C186-V190 WeakPolarHBondContact O-CG2 2.95Å; C186-V190 PolarHBondContact O-N 3.12Å; T187-V190 PolarHBondContact O-N 3.21Å; V190-L192 PolarHBondContact O-N 3.28Å; V190-A193 PolarHBondContact O-N 3.33Å; V190-L194 HydrophobicContact CG1-CD1 3.85Å; V190-L194 HydrophobicContact CG1-CG 4.5Å; V190-L194 WeakPolarHBondContact O-CB 3.35Å; V190-L194 VanDerWaalsContact O-CG 3.32Å; V190-L194 WeakPolarHBondContact O-CG 3.41Å; V190-L194 PolarHBondContact O-N 2.73Å; V190-L212 HydrophobicContact CB-CD2 4.25Å; V190-L212 HydrophobicContact CG1-CD2 4.1Å; V190-L212 HydrophobicContact CG2-CD2 3.91Å; V190-L215 HydrophobicContact CG2-CD2 3.54Å |
| 191 | N | 97.5 | Very high | 95.8 | Very high | 93 Ų | 93 | 50.1 Ų | 50.1 | 50% | 0.497 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.4 | -37.9 | 179.9 | -69.7 | -26.4 | 0 | 0 | 0 | 112.9 | T187 W188 F189 R195 | T187-N191 PolarHBondContact O-N 3.48Å; T187-N191 VanDerWaalsContact O-N 3.12Å; T187-N191 PolarHBondContact O-ND2 3.3Å; W188-N191 PolarHBondContact O-N 3.24Å; F189-N191 VanDerWaalsContact C-N 3.31Å; F189-N191 PolarHBondContact O-N 2.94Å; N191-R195 WeakPolarHBondContact O-CB 3.3Å; N191-R195 PolarHBondContact O-N 2.83Å |
| 192 | L | 97.1 | Very high | 95.8 | Very high | 30 Ų | 30 | 48.1 Ų | 48.1 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.4 | -38.8 | 176.7 | -177.8 | 57.9 | 0 | 0 | 0 | 112.1 | T125 T128 L129 Y132 W188 F189 V190 R195 A196 | T125-L192 HydrophobicContact CG2-CD1 4.29Å; T125-L192 HydrophobicContact CG2-CG 4.36Å; T128-L192 HydrophobicContact CG2-CD2 3.66Å; L129-L192 HydrophobicContact CD2-CB 3.95Å; L129-L192 HydrophobicContact CD2-CD2 3.85Å; L129-L192 HydrophobicContact CD2-CG 3.84Å; L129-L192 HydrophobicContact CG-CD2 3.83Å; L129-L192 HydrophobicContact CG-CG 4.11Å; Y132-L192 HydrophobicContact CD2-CD2 4.29Å; Y132-L192 HydrophobicContact CE2-CB 4.33Å; Y132-L192 HydrophobicContact CE2-CD2 3.8Å; W188-L192 WeakPolarHBondContact O-CB 3.26Å; W188-L192 PolarHBondContact O-N 3.45Å; F189-L192 PolarHBondContact O-N 2.97Å; V190-L192 PolarHBondContact O-N 3.28Å; L192-R195 PolarHBondContact O-N 2.76Å; L192-A196 WeakPolarHBondContact O-CB 3.45Å; L192-A196 PolarHBondContact O-N 2.83Å |
| 193 | A | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L129 F189 V190 A196 R197 L208 | L129-A193 HydrophobicContact CD2-CB 4.29Å; F189-A193 HydrophobicContact CD1-CB 4.42Å; F189-A193 HydrophobicContact CE1-CB 4.34Å; F189-A193 WeakPolarHBondContact O-CB 3.36Å; F189-A193 PolarHBondContact O-N 3.07Å; V190-A193 PolarHBondContact O-N 3.33Å; A193-A196 PolarHBondContact O-N 3.12Å; A193-R197 WeakPolarHBondContact O-CB 3.46Å; A193-R197 PolarHBondContact O-N 2.77Å; A193-L208 HydrophobicContact CB-CD1 3.77Å |
| 194 | L | 96.4 | Very high | 95.2 | Very high | 78 Ų | 78 | 52.9 Ų | 52.9 | 41% | 0.408 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 171.4 | -75.8 | 165.7 | 0 | 0 | 0 | 111.7 | V190 R197 T198 L208 | V190-L194 HydrophobicContact CG1-CD1 3.85Å; V190-L194 HydrophobicContact CG1-CG 4.5Å; V190-L194 WeakPolarHBondContact O-CB 3.35Å; V190-L194 VanDerWaalsContact O-CG 3.32Å; V190-L194 WeakPolarHBondContact O-CG 3.41Å; V190-L194 PolarHBondContact O-N 2.73Å; L194-R197 WeakPolarHBondContact O-CB 3.48Å; L194-R197 PolarHBondContact O-N 2.89Å; L194-T198 PolarHBondContact O-N 3.21Å; L194-T198 PolarHBondContact O-OG1 3.41Å; L194-L208 HydrophobicContact CD2-CD2 3.9Å |
| 195 | R | 95.8 | Very high | 95 | Very high | 157 Ų | 157 | 56.9 Ų | 56.9 | 59% | 0.592 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.8 | -48.4 | 175.8 | -175.8 | 177.7 | -62.3 | 173.5 | 1.6 | 111.7 | N191 L192 R197 T198 E199 | N191-R195 WeakPolarHBondContact O-CB 3.3Å; N191-R195 PolarHBondContact O-N 2.83Å; L192-R195 PolarHBondContact O-N 2.76Å; R195-R197 PolarHBondContact O-N 2.72Å; R195-T198 WeakPolarHBondContact CA-OG1 3.18Å; R195-T198 PolarHBondContact O-N 3.01Å; R195-T198 PolarHBondContact O-OG1 3.17Å; R195-E199 VanDerWaalsContact CD-OE1 3.3Å; R195-E199 WeakPolarHBondContact CD-OE1 3.45Å; R195-E199 HydrophobicContact CG-CG 4.29Å; R195-E199 WeakPolarHBondContact CG-OE1 3.26Å; R195-E199 WeakPolarHBondContact O-CB 3.31Å; R195-E199 WeakPolarHBondContact O-CG 3.49Å; R195-E199 PolarHBondContact O-N 3.2Å |
| 196 | A | 95.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.3 | -33.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T125 L192 A193 G200 R201 I202 | T125-A196 HydrophobicContact CG2-CB 4.07Å; L192-A196 WeakPolarHBondContact O-CB 3.45Å; L192-A196 PolarHBondContact O-N 2.83Å; A193-A196 PolarHBondContact O-N 3.12Å; A196-G200 PolarHBondContact O-N 2.95Å; A196-R201 HydrophobicContact CB-CB 4.19Å; A196-R201 WeakPolarHBondContact O-CA 3.33Å; A196-R201 VanDerWaalsContact O-CB 3.3Å; A196-R201 WeakPolarHBondContact O-CB 3.31Å; A196-R201 PolarHBondContact O-N 2.73Å; A196-I202 HydrophobicContact CB-CD1 4.06Å; A196-I202 HydrophobicContact CB-CG1 4.17Å; A196-I202 PolarHBondContact O-N 2.87Å |
| 197 | R | 95.3 | Very high | 94.8 | Very high | 69 Ų | 69 | 62.8 Ų | 62.8 | 26% | 0.26 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68 | -43.4 | 171.4 | 174.5 | 61.8 | -174.5 | 112.6 | -0 | 112.7 | A193 L194 R195 E199 G200 I202 D205 L208 | A193-R197 WeakPolarHBondContact O-CB 3.46Å; A193-R197 PolarHBondContact O-N 2.77Å; L194-R197 WeakPolarHBondContact O-CB 3.48Å; L194-R197 PolarHBondContact O-N 2.89Å; R195-R197 PolarHBondContact O-N 2.72Å; R197-E199 VanDerWaalsContact C-N 3.33Å; R197-G200 PolarHBondContact O-N 2.87Å; R197-I202 HydrophobicContact CB-CB 4.29Å; R197-I202 WeakPolarHBondContact CD-O 3.23Å; R197-D205 IonicContact CZ-OD1 2.68Å; R197-D205 IonicContact CZ-OD2 3.25Å; R197-D205 IonicContact NE-OD1 3.58Å; R197-D205 PolarHBondContact NE-OD1 3.47Å; R197-D205 IonicContact NE-OD2 3.35Å; R197-D205 IonicContact NH2-OD1 2.69Å; R197-D205 PolarHBondContact NH2-OD1 2.8Å; R197-D205 IonicContact NH2-OD2 3.59Å; R197-D205 PolarHBondContact NH2-OD2 2.67Å; R197-L208 HydrophobicContact CB-CD2 4.01Å; R197-L208 HydrophobicContact CG-CD2 3.93Å |
| 198 | T | 94.1 | Very high | 94.8 | Very high | 122 Ų | 122 | 60.5 Ų | 60.5 | 75% | 0.748 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -68.7 | -29.8 | 176.1 | 51.7 | 0 | 0 | 0 | 0 | 113.5 | L194 R195 G200 | L194-T198 PolarHBondContact O-N 3.21Å; L194-T198 PolarHBondContact O-OG1 3.41Å; R195-T198 WeakPolarHBondContact CA-OG1 3.18Å; R195-T198 PolarHBondContact O-N 3.01Å; R195-T198 PolarHBondContact O-OG1 3.17Å; T198-G200 PolarHBondContact O-N 2.89Å |
| 199 | E | 93.3 | Very high | 94.7 | Very high | 102 Ų | 102 | 62.4 Ų | 62.4 | 48% | 0.477 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 3.5 | 173.7 | -69.2 | 170.4 | -176.7 | 0 | 0 | 113 | R195 R197 R201 | R195-E199 VanDerWaalsContact CD-OE1 3.3Å; R195-E199 WeakPolarHBondContact CD-OE1 3.45Å; R195-E199 HydrophobicContact CG-CG 4.29Å; R195-E199 WeakPolarHBondContact CG-OE1 3.26Å; R195-E199 WeakPolarHBondContact O-CB 3.31Å; R195-E199 WeakPolarHBondContact O-CG 3.49Å; R195-E199 PolarHBondContact O-N 3.2Å; R197-E199 VanDerWaalsContact C-N 3.33Å; E199-R201 HydrophobicContact CB-CG 4.04Å; E199-R201 PolarHBondContact O-N 2.83Å |
| 200 | G | 92.3 | Very high | 94.6 | Very high | 48 Ų | 48 | 64.1 Ų | 64.1 | 50% | 0.495 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 6 | -180 | 0 | 0 | 0 | 0 | 0 | 115.2 | A196 R197 T198 I202 | A196-G200 PolarHBondContact O-N 2.95Å; R197-G200 PolarHBondContact O-N 2.87Å; T198-G200 PolarHBondContact O-N 2.89Å; G200-I202 VanDerWaalsContact C-N 3.31Å; G200-I202 PolarHBondContact O-N 2.99Å |
| 201 | R | 91.3 | Very high | 94.6 | Very high | 50 Ų | 50 | 62 Ų | 62 | 19% | 0.189 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -71 | -25.8 | 177.6 | -50.6 | -50.2 | -155.4 | 137.3 | 4.8 | 113.1 | R116 D119 T121 A196 E199 | R116-R201 PolarHBondContact N-O 2.86Å; D119-R201 VanDerWaalsContact CG-NH2 3.3Å; D119-R201 IonicContact OD1-CZ 3.45Å; D119-R201 IonicContact OD1-NH1 3.34Å; D119-R201 PolarHBondContact OD1-NH1 3.34Å; D119-R201 IonicContact OD1-NH2 3.78Å; D119-R201 PolarHBondContact OD1-NH2 2.88Å; D119-R201 VanDerWaalsContact OD1-NH2 3.15Å; D119-R201 IonicContact OD2-CZ 2.7Å; D119-R201 IonicContact OD2-NH1 2.75Å; D119-R201 IonicContact OD2-NH2 3.53Å; D119-R201 PolarHBondContact OD2-NH2 2.85Å; T121-R201 PolarHBondContact OG1-NH2 3.44Å; A196-R201 HydrophobicContact CB-CB 4.19Å; A196-R201 WeakPolarHBondContact O-CA 3.33Å; A196-R201 VanDerWaalsContact O-CB 3.3Å; A196-R201 WeakPolarHBondContact O-CB 3.31Å; A196-R201 PolarHBondContact O-N 2.73Å; E199-R201 HydrophobicContact CB-CG 4.04Å; E199-R201 PolarHBondContact O-N 2.83Å |
| 202 | I | 94.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -108.7 | 112.2 | 170.4 | -57.1 | 176 | 0 | 0 | 0 | 107.5 | V115 A196 R197 G200 N204 A207 L208 I211 | V115-I202 HydrophobicContact CG2-CD1 4.21Å; V115-I202 HydrophobicContact CG2-CG1 4.04Å; A196-I202 HydrophobicContact CB-CD1 4.06Å; A196-I202 HydrophobicContact CB-CG1 4.17Å; A196-I202 PolarHBondContact O-N 2.87Å; R197-I202 HydrophobicContact CB-CB 4.29Å; R197-I202 WeakPolarHBondContact CD-O 3.23Å; G200-I202 VanDerWaalsContact C-N 3.31Å; G200-I202 PolarHBondContact O-N 2.99Å; I202-N204 PolarHBondContact O-N 3.12Å; I202-A207 HydrophobicContact CG2-CB 4.01Å; I202-L208 HydrophobicContact CD1-CD1 4.25Å; I202-L208 HydrophobicContact CG2-CB 4.3Å; I202-I211 HydrophobicContact CD1-CD1 4.23Å |
| 203 | N | 86.7 | Confident | 94.5 | Very high | 103 Ų | 103 | 61.8 Ų | 61.8 | 55% | 0.551 | 34% | 0.338 | S | S | * | . | trans | -64.2 | -41.2 | -168.8 | -56.8 | 23.8 | 0 | 0 | 0 | 113 | ||||
| 204 | N | 91.5 | Very high | 94.5 | Very high | 102 Ų | 102 | 63.4 Ų | 63.4 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | trans | -127.5 | 142.1 | -166.4 | -62.9 | -14.6 | 0 | 0 | 0 | 112 | I202 V206 A207 L208 | I202-N204 PolarHBondContact O-N 3.12Å; N204-V206 PolarHBondContact O-N 3.39Å; N204-A207 HydrophobicContact CB-CB 4.35Å; N204-A207 WeakPolarHBondContact O-CB 3.15Å; N204-A207 PolarHBondContact O-N 2.91Å; N204-L208 PolarHBondContact O-N 3.47Å | ||
| 205 | D | 93.3 | Very high | 94.6 | Very high | 88 Ų | 88 | 59.9 Ų | 59.9 | 47% | 0.471 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.4 | -26.6 | 175.1 | -59.9 | -66.5 | 0 | 0 | 0 | 113.1 | R197 A207 L208 T209 | R197-D205 IonicContact CZ-OD1 2.68Å; R197-D205 IonicContact CZ-OD2 3.25Å; R197-D205 IonicContact NE-OD1 3.58Å; R197-D205 PolarHBondContact NE-OD1 3.47Å; R197-D205 IonicContact NE-OD2 3.35Å; R197-D205 IonicContact NH2-OD1 2.69Å; R197-D205 PolarHBondContact NH2-OD1 2.8Å; R197-D205 IonicContact NH2-OD2 3.59Å; R197-D205 PolarHBondContact NH2-OD2 2.67Å; D205-A207 VanDerWaalsContact C-N 3.31Å; D205-A207 PolarHBondContact O-N 3.25Å; D205-L208 PolarHBondContact O-N 3.02Å; D205-T209 WeakPolarHBondContact O-CB 3.41Å; D205-T209 PolarHBondContact O-N 2.88Å; D205-T209 PolarHBondContact O-OG1 3.5Å |
| 206 | V | 95.3 | Very high | 94.6 | Very high | 120 Ų | 120 | 56.1 Ų | 56.1 | 73% | 0.727 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.2 | -38.4 | 171.8 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | N204 T209 A210 | N204-V206 PolarHBondContact O-N 3.39Å; V206-T209 PolarHBondContact O-N 3.21Å; V206-A210 PolarHBondContact O-N 3.43Å |
| 207 | A | 94.2 | Very high | 94.7 | Very high | 8 Ų | 8 | 58.8 Ų | 58.8 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H114 I202 N204 D205 T209 A210 I211 | H114-A207 HydrophobicContact CB-CB 4.07Å; H114-A207 WeakPolarHBondContact CD2-CB 3.42Å; I202-A207 HydrophobicContact CG2-CB 4.01Å; N204-A207 HydrophobicContact CB-CB 4.35Å; N204-A207 WeakPolarHBondContact O-CB 3.15Å; N204-A207 PolarHBondContact O-N 2.91Å; D205-A207 VanDerWaalsContact C-N 3.31Å; D205-A207 PolarHBondContact O-N 3.25Å; A207-T209 VanDerWaalsContact C-N 3.3Å; A207-T209 PolarHBondContact O-N 3.46Å; A207-A210 PolarHBondContact O-N 3.2Å; A207-I211 WeakPolarHBondContact O-CG1 3.47Å; A207-I211 PolarHBondContact O-N 3.37Å |
| 208 | L | 96.1 | Very high | 94.7 | Very high | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.068 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 171 | 176.7 | 64.1 | 0 | 0 | 0 | 111 | A193 L194 R197 I202 N204 D205 A210 I211 L212 | A193-L208 HydrophobicContact CB-CD1 3.77Å; L194-L208 HydrophobicContact CD2-CD2 3.9Å; R197-L208 HydrophobicContact CB-CD2 4.01Å; R197-L208 HydrophobicContact CG-CD2 3.93Å; I202-L208 HydrophobicContact CD1-CD1 4.25Å; I202-L208 HydrophobicContact CG2-CB 4.3Å; N204-L208 PolarHBondContact O-N 3.47Å; D205-L208 PolarHBondContact O-N 3.02Å; L208-A210 PolarHBondContact O-N 2.79Å; L208-I211 PolarHBondContact O-N 3.14Å; L208-L212 HydrophobicContact CD1-CD1 3.88Å; L208-L212 HydrophobicContact CD1-CG 3.98Å; L208-L212 HydrophobicContact CD2-CD1 4.41Å; L208-L212 HydrophobicContact CG-CD1 3.81Å; L208-L212 HydrophobicContact CG-CG 4.29Å; L208-L212 WeakPolarHBondContact O-CB 3.25Å; L208-L212 VanDerWaalsContact O-CG 3.27Å; L208-L212 WeakPolarHBondContact O-CG 3.17Å; L208-L212 PolarHBondContact O-N 3.33Å |
| 209 | T | 96.3 | Very high | 94.8 | Very high | 83 Ų | 83 | 55 Ų | 55 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 178.9 | -57 | 0 | 0 | 0 | 0 | 111.8 | D205 V206 A207 L212 T213 | D205-T209 WeakPolarHBondContact O-CB 3.41Å; D205-T209 PolarHBondContact O-N 2.88Å; D205-T209 PolarHBondContact O-OG1 3.5Å; V206-T209 PolarHBondContact O-N 3.21Å; A207-T209 VanDerWaalsContact C-N 3.3Å; A207-T209 PolarHBondContact O-N 3.46Å; T209-L212 PolarHBondContact O-N 3Å; T209-T213 WeakPolarHBondContact O-CB 3.23Å; T209-T213 PolarHBondContact O-N 3Å; T209-T213 PolarHBondContact O-OG1 3.39Å |
| 210 | A | 96.3 | Very high | 94.9 | Very high | 37 Ų | 37 | 52.3 Ų | 52.3 | 31% | 0.306 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62 | -48.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | L110 V206 A207 L208 L212 T213 E214 | L110-A210 HydrophobicContact CD1-CB 4.18Å; V206-A210 PolarHBondContact O-N 3.43Å; A207-A210 PolarHBondContact O-N 3.2Å; L208-A210 PolarHBondContact O-N 2.79Å; A210-L212 VanDerWaalsContact C-N 3.35Å; A210-L212 PolarHBondContact O-N 2.88Å; A210-T213 PolarHBondContact O-N 2.91Å; A210-T213 VanDerWaalsContact O-N 3.14Å; A210-E214 PolarHBondContact O-N 3.08Å |
| 211 | I | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.5 | -47.7 | 176.1 | -75.8 | 168.2 | 0 | 0 | 0 | 111.3 | L107 L110 H114 V115 F189 I202 A207 L208 T213 E214 L215 | L107-I211 HydrophobicContact CD1-CG2 4.19Å; L110-I211 HydrophobicContact CB-CG1 3.92Å; H114-I211 HydrophobicContact CB-CD1 4.08Å; V115-I211 HydrophobicContact CG2-CD1 4.49Å; F189-I211 HydrophobicContact CE1-CG2 3.54Å; F189-I211 HydrophobicContact CZ-CG2 3.88Å; I202-I211 HydrophobicContact CD1-CD1 4.23Å; A207-I211 WeakPolarHBondContact O-CG1 3.47Å; A207-I211 PolarHBondContact O-N 3.37Å; L208-I211 PolarHBondContact O-N 3.14Å; I211-T213 VanDerWaalsContact C-N 3.31Å; I211-T213 PolarHBondContact O-N 3.31Å; I211-E214 PolarHBondContact O-N 3.04Å; I211-L215 WeakPolarHBondContact O-CB 3.44Å; I211-L215 PolarHBondContact O-N 3.31Å |
| 212 | L | 96.9 | Very high | 95.3 | Very high | 36 Ų | 36 | 50.3 Ų | 50.3 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.1 | -26.4 | 180 | -66.8 | 176.1 | 0 | 0 | 0 | 112.9 | V190 L208 T209 A210 L215 N216 | V190-L212 HydrophobicContact CB-CD2 4.25Å; V190-L212 HydrophobicContact CG1-CD2 4.1Å; V190-L212 HydrophobicContact CG2-CD2 3.91Å; L208-L212 HydrophobicContact CD1-CD1 3.88Å; L208-L212 HydrophobicContact CD1-CG 3.98Å; L208-L212 HydrophobicContact CD2-CD1 4.41Å; L208-L212 HydrophobicContact CG-CD1 3.81Å; L208-L212 HydrophobicContact CG-CG 4.29Å; L208-L212 WeakPolarHBondContact O-CB 3.25Å; L208-L212 VanDerWaalsContact O-CG 3.27Å; L208-L212 WeakPolarHBondContact O-CG 3.17Å; L208-L212 PolarHBondContact O-N 3.33Å; T209-L212 PolarHBondContact O-N 3Å; A210-L212 VanDerWaalsContact C-N 3.35Å; A210-L212 PolarHBondContact O-N 2.88Å; L212-L215 HydrophobicContact CD2-CD2 4.41Å; L212-N216 PolarHBondContact O-N 2.7Å; L212-N216 VanDerWaalsContact O-N 3.1Å; L212-N216 PolarHBondContact O-ND2 2.77Å |
| 213 | T | 97.2 | Very high | 95.4 | Very high | 82 Ų | 82 | 54.1 Ų | 54.1 | 50% | 0.503 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -72.2 | -46.6 | 175.7 | -59.7 | 0 | 0 | 0 | 0 | 111 | T209 A210 I211 N216 S217 | T209-T213 WeakPolarHBondContact O-CB 3.23Å; T209-T213 PolarHBondContact O-N 3Å; T209-T213 PolarHBondContact O-OG1 3.39Å; A210-T213 PolarHBondContact O-N 2.91Å; A210-T213 VanDerWaalsContact O-N 3.14Å; I211-T213 VanDerWaalsContact C-N 3.31Å; I211-T213 PolarHBondContact O-N 3.31Å; T213-N216 PolarHBondContact O-N 3.2Å; T213-S217 PolarHBondContact O-N 3.39Å |
| 214 | E | 96.8 | Very high | 95.8 | Very high | 34 Ų | 34 | 54.5 Ų | 54.5 | 16% | 0.159 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.9 | -36.3 | 174.7 | -72.1 | -58.7 | 136.1 | 0 | 0 | 112.6 | R106 L107 L110 A210 I211 N216 S217 L218 | R106-E214 IonicContact CZ-OE1 3.83Å; R106-E214 IonicContact CZ-OE2 2.77Å; R106-E214 IonicContact NE-OE1 3.48Å; R106-E214 IonicContact NE-OE2 2.76Å; R106-E214 PolarHBondContact NE-OE2 3.15Å; R106-E214 IonicContact NH2-OE1 2.8Å; R106-E214 PolarHBondContact NH2-OE1 3.09Å; R106-E214 IonicContact NH2-OE2 2.73Å; R106-E214 PolarHBondContact NH2-OE2 3.08Å; L107-E214 HydrophobicContact CD1-CB 4.12Å; L110-E214 HydrophobicContact CD1-CB 4.05Å; L110-E214 HydrophobicContact CD1-CG 3.5Å; L110-E214 VanDerWaalsContact CD1-CG 3.5Å; A210-E214 PolarHBondContact O-N 3.08Å; I211-E214 PolarHBondContact O-N 3.04Å; E214-N216 VanDerWaalsContact C-N 3.33Å; E214-N216 PolarHBondContact O-N 3.43Å; E214-S217 WeakPolarHBondContact O-CB 3.42Å; E214-S217 PolarHBondContact O-N 3.24Å; E214-L218 PolarHBondContact O-N 2.85Å |
| 215 | L | 97.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 170.1 | -177 | 76.5 | 0 | 0 | 0 | 111.8 | L107 V133 F189 V190 I211 L212 L218 R219 | L107-L215 HydrophobicContact CD2-CB 4.22Å; L107-L215 HydrophobicContact CD2-CD1 4Å; V133-L215 HydrophobicContact CG2-CD1 4.25Å; F189-L215 HydrophobicContact CB-CD1 4.13Å; F189-L215 HydrophobicContact CB-CD2 4.24Å; F189-L215 HydrophobicContact CD1-CB 4.5Å; F189-L215 HydrophobicContact CD1-CD1 3.76Å; F189-L215 HydrophobicContact CD1-CD2 3.52Å; F189-L215 HydrophobicContact CD1-CG 4.11Å; F189-L215 HydrophobicContact CD2-CD1 4.13Å; F189-L215 HydrophobicContact CE1-CB 4.36Å; F189-L215 HydrophobicContact CE1-CD1 4.13Å; F189-L215 HydrophobicContact CE1-CD2 4.16Å; F189-L215 HydrophobicContact CE1-CG 4.44Å; F189-L215 HydrophobicContact CE2-CD1 4.48Å; F189-L215 HydrophobicContact CG-CD1 3.75Å; F189-L215 HydrophobicContact CG-CD2 4.12Å; F189-L215 HydrophobicContact CZ-CD1 4.48Å; V190-L215 HydrophobicContact CG2-CD2 3.54Å; I211-L215 WeakPolarHBondContact O-CB 3.44Å; I211-L215 PolarHBondContact O-N 3.31Å; L212-L215 HydrophobicContact CD2-CD2 4.41Å; L215-L218 PolarHBondContact O-N 3.4Å; L215-R219 WeakPolarHBondContact O-CB 3.3Å; L215-R219 PolarHBondContact O-N 3.02Å |
| 216 | N | 96.9 | Very high | 96.2 | Very high | 78 Ų | 78 | 49 Ų | 49 | 42% | 0.417 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.9 | -33.7 | 177.7 | -85 | -66.4 | 0 | 0 | 0 | 112.6 | L212 T213 E214 R219 A220 | L212-N216 PolarHBondContact O-N 2.7Å; L212-N216 VanDerWaalsContact O-N 3.1Å; L212-N216 PolarHBondContact O-ND2 2.77Å; T213-N216 PolarHBondContact O-N 3.2Å; E214-N216 VanDerWaalsContact C-N 3.33Å; E214-N216 PolarHBondContact O-N 3.43Å; N216-R219 PolarHBondContact O-N 2.94Å; N216-A220 WeakPolarHBondContact O-CB 3.29Å; N216-A220 PolarHBondContact O-N 3.41Å |
| 217 | S | 96.4 | Very high | 96.3 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 39% | 0.385 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.9 | -47.9 | 170.3 | -174.8 | 0 | 0 | 0 | 0 | 111.4 | T213 E214 A220 K221 | T213-S217 PolarHBondContact O-N 3.39Å; E214-S217 WeakPolarHBondContact O-CB 3.42Å; E214-S217 PolarHBondContact O-N 3.24Å; S217-A220 PolarHBondContact O-N 3.45Å; S217-K221 PolarHBondContact O-N 2.96Å |
| 218 | L | 95.4 | Very high | 96.4 | Very high | 12 Ų | 12 | 47.1 Ų | 47.1 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 176.1 | -171.7 | 146.5 | 0 | 0 | 0 | 112.1 | P102 V133 E214 L215 A220 K221 C222 | P102-L218 HydrophobicContact CB-CD1 4.28Å; P102-L218 HydrophobicContact CB-CD2 4.22Å; P102-L218 HydrophobicContact CB-CG 3.85Å; V133-L218 HydrophobicContact CG1-CD1 3.44Å; V133-L218 VanDerWaalsContact CG1-CD1 3.44Å; V133-L218 HydrophobicContact CG1-CD2 4.04Å; V133-L218 HydrophobicContact CG1-CG 4.4Å; E214-L218 PolarHBondContact O-N 2.85Å; L215-L218 PolarHBondContact O-N 3.4Å; L218-A220 VanDerWaalsContact C-N 3.31Å; L218-A220 PolarHBondContact O-N 3.4Å; L218-K221 WeakPolarHBondContact O-CB 3.49Å; L218-K221 PolarHBondContact O-N 3.45Å; L218-K221 VanDerWaalsContact O-N 3.16Å; L218-C222 PolarHBondContact O-N 3.26Å; L218-C222 PolarHBondContact O-SG 3.02Å; L218-C222 VanDerWaalsContact O-SG 3.37Å |
| 219 | R | 95.7 | Very high | 96.4 | Very high | 100 Ų | 100 | 49.7 Ų | 49.7 | 38% | 0.377 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.4 | -41 | 174.2 | -166 | -174.9 | 72.8 | 81.8 | -3 | 111.5 | L215 N216 K221 C222 M223 | L215-R219 WeakPolarHBondContact O-CB 3.3Å; L215-R219 PolarHBondContact O-N 3.02Å; N216-R219 PolarHBondContact O-N 2.94Å; R219-K221 VanDerWaalsContact C-N 3.33Å; R219-K221 PolarHBondContact O-N 2.83Å; R219-C222 PolarHBondContact O-N 3.22Å; R219-M223 WeakPolarHBondContact O-CG 3.23Å; R219-M223 PolarHBondContact O-N 3.42Å |
| 220 | A | 96.3 | Very high | 96.3 | Very high | 45 Ų | 45 | 54.5 Ų | 54.5 | 37% | 0.372 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.6 | -35.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N216 S217 L218 M223 K224 | N216-A220 WeakPolarHBondContact O-CB 3.29Å; N216-A220 PolarHBondContact O-N 3.41Å; S217-A220 PolarHBondContact O-N 3.45Å; L218-A220 VanDerWaalsContact C-N 3.31Å; L218-A220 PolarHBondContact O-N 3.4Å; A220-M223 PolarHBondContact O-N 3.08Å; A220-K224 WeakPolarHBondContact O-CG 3.34Å; A220-K224 PolarHBondContact O-N 3.35Å |
| 221 | K | 95.9 | Very high | 96.3 | Very high | 57 Ų | 57 | 57.9 Ų | 57.9 | 25% | 0.248 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -50.4 | 170.1 | -75.6 | -162.8 | 177.7 | -149.1 | 0 | 112 | E99 N100 I101 P102 S217 L218 R219 M223 K224 L225 | E99-K221 PolarHBondContact O-NZ 2.84Å; N100-K221 WeakPolarHBondContact O-CB 3.39Å; I101-K221 WeakPolarHBondContact O-CD 3.28Å; I101-K221 PolarHBondContact O-NZ 3.44Å; P102-K221 HydrophobicContact CB-CB 4.45Å; S217-K221 PolarHBondContact O-N 2.96Å; L218-K221 WeakPolarHBondContact O-CB 3.49Å; L218-K221 PolarHBondContact O-N 3.45Å; L218-K221 VanDerWaalsContact O-N 3.16Å; R219-K221 VanDerWaalsContact C-N 3.33Å; R219-K221 PolarHBondContact O-N 2.83Å; K221-M223 VanDerWaalsContact C-N 3.32Å; K221-M223 PolarHBondContact O-N 3.16Å; K221-K224 PolarHBondContact O-N 3.25Å; K221-K224 VanDerWaalsContact O-N 3.08Å; K221-L225 PolarHBondContact O-N 2.82Å |
| 222 | C | 96.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57 | -42.9 | 175.1 | -59.3 | 0 | 0 | 0 | 0 | 112.5 | I140 F182 L218 R219 K224 L225 Y226 | I140-C222 HydrophobicContact CB-CB 4.45Å; I140-C222 HydrophobicContact CG2-CB 4.07Å; F182-C222 HydrophobicContact CD2-CB 4.31Å; F182-C222 HydrophobicContact CE2-CB 4.14Å; L218-C222 PolarHBondContact O-N 3.26Å; L218-C222 PolarHBondContact O-SG 3.02Å; L218-C222 VanDerWaalsContact O-SG 3.37Å; R219-C222 PolarHBondContact O-N 3.22Å; C222-K224 VanDerWaalsContact C-N 3.33Å; C222-K224 PolarHBondContact O-N 3.17Å; C222-L225 PolarHBondContact O-N 3.09Å; C222-Y226 PolarHBondContact O-N 3.46Å; C222-Y226 VanDerWaalsContact O-N 3.1Å |
| 223 | M | 95.9 | Very high | 96 | Very high | 80 Ų | 80 | 60.6 Ų | 60.6 | 39% | 0.394 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.6 | -36 | 175.8 | -70.9 | -58.6 | -47.6 | 0 | 0 | 112.9 | F182 R219 A220 K221 G227 | F182-M223 HydrophobicContact CE2-SD 3.88Å; F182-M223 HydrophobicContact CZ-SD 3.62Å; R219-M223 WeakPolarHBondContact O-CG 3.23Å; R219-M223 PolarHBondContact O-N 3.42Å; A220-M223 PolarHBondContact O-N 3.08Å; K221-M223 VanDerWaalsContact C-N 3.32Å; K221-M223 PolarHBondContact O-N 3.16Å; M223-G227 PolarHBondContact O-N 2.98Å |
| 224 | K | 96.2 | Very high | 95.9 | Very high | 110 Ų | 110 | 60.6 Ų | 60.6 | 48% | 0.478 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.7 | -38.9 | 176.2 | -74.8 | 173.9 | -179.9 | -174.3 | 0 | 112.3 | N100 A220 K221 C222 Y226 G227 Y228 | N100-K224 HydrophobicContact CB-CB 4.07Å; N100-K224 HydrophobicContact CB-CD 4.15Å; N100-K224 WeakPolarHBondContact OD1-CD 3.41Å; N100-K224 PolarHBondContact OD1-NZ 3.41Å; A220-K224 WeakPolarHBondContact O-CG 3.34Å; A220-K224 PolarHBondContact O-N 3.35Å; K221-K224 PolarHBondContact O-N 3.25Å; K221-K224 VanDerWaalsContact O-N 3.08Å; C222-K224 VanDerWaalsContact C-N 3.33Å; C222-K224 PolarHBondContact O-N 3.17Å; K224-Y226 VanDerWaalsContact C-N 3.35Å; K224-G227 CarbonylContact O-C 3.53Å; K224-G227 WeakPolarHBondContact O-CA 3.33Å; K224-G227 PolarHBondContact O-N 3.26Å; K224-G227 VanDerWaalsContact O-N 3.12Å; K224-Y228 WeakPolarHBondContact O-CD2 3.28Å; K224-Y228 PolarHBondContact O-N 3.38Å |
| 225 | L | 96.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 172.7 | -66.2 | -174.4 | 0 | 0 | 0 | 110.9 | N100 I140 Y141 K221 C222 G227 Y228 D229 F299 | N100-L225 HydrophobicContact CB-CD2 4.34Å; N100-L225 WeakPolarHBondContact O-CG 3.26Å; I140-L225 HydrophobicContact CG1-CB 4.16Å; Y141-L225 HydrophobicContact CE1-CD1 4.19Å; K221-L225 PolarHBondContact O-N 2.82Å; C222-L225 PolarHBondContact O-N 3.09Å; L225-G227 PolarHBondContact O-N 2.94Å; L225-Y228 PolarHBondContact O-N 3.12Å; L225-D229 WeakPolarHBondContact O-CB 3.37Å; L225-D229 PolarHBondContact O-N 2.82Å; L225-F299 HydrophobicContact CD2-CE2 4.18Å; L225-F299 HydrophobicContact CD2-CZ 3.79Å |
| 226 | Y | 96.4 | Very high | 95.8 | Very high | 74 Ų | 74 | 68.9 Ų | 68.9 | 29% | 0.29 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.3 | -37.9 | 172.8 | -172.1 | -96 | 0 | 0 | 0 | 112.5 | I140 F182 C222 K224 W230 | I140-Y226 HydrophobicContact CD1-CD2 4.11Å; I140-Y226 HydrophobicContact CD1-CG 4.47Å; F182-Y226 AromaticContact CE1-CD2 3.96Å; F182-Y226 HydrophobicContact CE1-CD2 3.96Å; F182-Y226 HydrophobicContact CE1-CE2 4.41Å; F182-Y226 HydrophobicContact CE1-CG 4.2Å; F182-Y226 HydrophobicContact CZ-CD2 4.48Å; F182-Y226 HydrophobicContact CZ-CG 4.29Å; C222-Y226 PolarHBondContact O-N 3.46Å; C222-Y226 VanDerWaalsContact O-N 3.1Å; K224-Y226 VanDerWaalsContact C-N 3.35Å; Y226-W230 HydrophobicContact CE1-CB 4.46Å; Y226-W230 HydrophobicContact CE1-CE3 4.14Å; Y226-W230 VanDerWaalsContact O-CB 3.27Å; Y226-W230 WeakPolarHBondContact O-CB 3.47Å; Y226-W230 PolarHBondContact O-N 2.85Å |
| 227 | G | 96.6 | Very high | 95.7 | Very high | 25 Ų | 25 | 68.4 Ų | 68.4 | 26% | 0.258 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.5 | -36.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | M223 K224 L225 I231 | M223-G227 PolarHBondContact O-N 2.98Å; K224-G227 CarbonylContact O-C 3.53Å; K224-G227 WeakPolarHBondContact O-CA 3.33Å; K224-G227 PolarHBondContact O-N 3.26Å; K224-G227 VanDerWaalsContact O-N 3.12Å; L225-G227 PolarHBondContact O-N 2.94Å; G227-I231 WeakPolarHBondContact O-CA 3.36Å; G227-I231 WeakPolarHBondContact O-CB 3.39Å; G227-I231 PolarHBondContact O-N 2.86Å |
| 228 | Y | 96.1 | Very high | 95.7 | Very high | 63 Ų | 63 | 67.2 Ų | 67.2 | 25% | 0.247 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.2 | -38.5 | 175.9 | -79.1 | -64.4 | 0 | 0 | 0 | 112.6 | R93 Q97 K224 L225 I231 | R93-Y228 HydrophobicContact CB-CE1 4.49Å; R93-Y228 HydrophobicContact CG-CE1 4.32Å; R93-Y228 PolarHBondContact NH2-O 2.84Å; Q97-Y228 HydrophobicContact CG-CD1 4.03Å; Q97-Y228 HydrophobicContact CG-CD2 3.52Å; Q97-Y228 HydrophobicContact CG-CE2 4.12Å; Q97-Y228 HydrophobicContact CG-CG 3.48Å; Q97-Y228 VanDerWaalsContact CG-CG 3.48Å; K224-Y228 WeakPolarHBondContact O-CD2 3.28Å; K224-Y228 PolarHBondContact O-N 3.38Å; L225-Y228 PolarHBondContact O-N 3.12Å; Y228-I231 CarbonylContact O-C 3.21Å |
| 229 | D | 96.2 | Very high | 95.8 | Very high | 67 Ų | 67 | 71.5 Ų | 71.5 | 36% | 0.358 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.7 | -59 | 174.4 | 176.3 | 70.2 | 0 | 0 | 0 | 111 | V144 L225 I231 S232 | V144-D229 HydrophobicContact CB-CB 4.19Å; V144-D229 HydrophobicContact CG1-CB 3.65Å; L225-D229 WeakPolarHBondContact O-CB 3.37Å; L225-D229 PolarHBondContact O-N 2.82Å; D229-I231 PolarHBondContact O-N 3.01Å; D229-S232 PolarHBondContact O-OG 3.38Å |
| 230 | W | 95.4 | Very high | 95.7 | Very high | 185 Ų | 185 | 70.4 Ų | 70.4 | 70% | 0.701 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.7 | -41.4 | -178.8 | 180 | 31.4 | 0 | 0 | 0 | 113.3 | Y226 S232 | Y226-W230 HydrophobicContact CE1-CB 4.46Å; Y226-W230 HydrophobicContact CE1-CE3 4.14Å; Y226-W230 VanDerWaalsContact O-CB 3.27Å; Y226-W230 WeakPolarHBondContact O-CB 3.47Å; Y226-W230 PolarHBondContact O-N 2.85Å; W230-S232 PolarHBondContact O-N 3.39Å |
| 231 | I | 96 | Very high | 95.7 | Very high | 107 Ų | 107 | 68.3 Ų | 68.3 | 55% | 0.549 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -103 | 77.2 | 177.9 | -49.1 | -178.2 | 0 | 0 | 0 | 108.6 | R93 G227 Y228 D229 | R93-I231 VanDerWaalsContact CZ-O 3.25Å; R93-I231 PolarHBondContact NH1-O 3.01Å; R93-I231 PolarHBondContact NH2-O 3.19Å; G227-I231 WeakPolarHBondContact O-CA 3.36Å; G227-I231 WeakPolarHBondContact O-CB 3.39Å; G227-I231 PolarHBondContact O-N 2.86Å; Y228-I231 CarbonylContact O-C 3.21Å; D229-I231 PolarHBondContact O-N 3.01Å |
| 232 | S | 92.8 | Very high | 95.6 | Very high | 77 Ų | 77 | 67.5 Ų | 67.5 | 54% | 0.538 | 35% | 0.346 | S | S | . | . | trans | -60.9 | 177.7 | 169.8 | -33.9 | 0 | 0 | 0 | 0 | 111.8 | D229 W230 | D229-S232 PolarHBondContact O-OG 3.38Å; W230-S232 PolarHBondContact O-N 3.39Å | ||
| 233 | L | 93.9 | Very high | 95.6 | Very high | 17 Ų | 17 | 71.6 Ų | 71.6 | 9% | 0.089 | 37% | 0.371 | C | S | . | . | trans | -65.5 | 145.9 | 169.8 | -75.6 | 178 | 0 | 0 | 0 | 111.2 | Y86 L89 V90 R93 L235 I296 | Y86-L233 HydrophobicContact CE2-CD1 3.94Å; L89-L233 HydrophobicContact CD2-CD2 3.52Å; L89-L233 HydrophobicContact CG-CD2 3.89Å; V90-L233 HydrophobicContact CG2-CD1 3.5Å; V90-L233 VanDerWaalsContact CG2-CD1 3.5Å; R93-L233 VanDerWaalsContact CD-CD2 3.44Å; L233-L235 PolarHBondContact O-N 3.12Å; L233-L235 VanDerWaalsContact O-N 3.12Å; L233-I296 HydrophobicContact CD1-CD1 4.47Å; L233-I296 HydrophobicContact CD1-CG1 4.48Å | ||
| 234 | P | 96.3 | Very high | 95.4 | Very high | 81 Ų | 81 | 68.7 Ų | 68.7 | 53% | 0.526 | 36% | 0.36 | S | S | . | . | trans | -57 | 119.6 | 176.2 | -24.7 | 34.4 | 0 | 0 | 0 | 110.8 | V236 Y237 | P234-V236 HydrophobicContact CB-CG1 4.3Å; P234-V236 PolarHBondContact O-N 2.97Å; P234-V236 VanDerWaalsContact O-N 3.07Å; P234-Y237 WeakPolarHBondContact O-CB 3.48Å; P234-Y237 PolarHBondContact O-N 3.4Å | ||
| 235 | L | 94.6 | Very high | 95.4 | Very high | 119 Ų | 119 | 63.5 Ų | 63.5 | 62% | 0.623 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -51 | -39.1 | -173.7 | 177.3 | 61.3 | 0 | 0 | 0 | 112.9 | L233 Y237 T238 Q239 | L233-L235 PolarHBondContact O-N 3.12Å; L233-L235 VanDerWaalsContact O-N 3.12Å; L235-Y237 VanDerWaalsContact C-N 3.25Å; L235-Y237 PolarHBondContact O-N 3.4Å; L235-T238 PolarHBondContact O-N 2.82Å; L235-Q239 HydrophobicContact CD1-CG 4.23Å; L235-Q239 HydrophobicContact CG-CG 4.27Å; L235-Q239 WeakPolarHBondContact O-CB 3.36Å; L235-Q239 VanDerWaalsContact O-CG 3.29Å; L235-Q239 WeakPolarHBondContact O-CG 3.2Å; L235-Q239 PolarHBondContact O-N 2.88Å |
| 236 | V | 96.9 | Very high | 95.3 | Very high | 94 Ų | 94 | 68.7 Ų | 68.7 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -58.2 | -33.1 | 176.7 | 65.2 | 0 | 0 | 0 | 0 | 113.2 | P234 V240 | P234-V236 HydrophobicContact CB-CG1 4.3Å; P234-V236 PolarHBondContact O-N 2.97Å; P234-V236 VanDerWaalsContact O-N 3.07Å; V236-V240 WeakPolarHBondContact O-CB 3.4Å; V236-V240 VanDerWaalsContact O-CG2 3.26Å; V236-V240 WeakPolarHBondContact O-CG2 3.3Å; V236-V240 PolarHBondContact O-N 3.04Å |
| 237 | Y | 95.4 | Very high | 95.1 | Very high | 67 Ų | 67 | 67.8 Ų | 67.8 | 26% | 0.263 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -76.1 | -42.7 | -179.6 | -171.3 | -160.2 | 0 | 0 | 0 | 111.4 | F85 Y86 L89 P234 L235 Q239 V240 A241 | F85-Y237 VanDerWaalsContact C-OH 3.26Å; F85-Y237 WeakPolarHBondContact CB-OH 3.48Å; Y86-Y237 HydrophobicContact CD2-CD1 4.05Å; Y86-Y237 HydrophobicContact CD2-CD2 4.31Å; Y86-Y237 HydrophobicContact CD2-CE1 4.06Å; Y86-Y237 HydrophobicContact CD2-CE2 4.31Å; Y86-Y237 HydrophobicContact CD2-CG 4.19Å; Y86-Y237 PolarHBondContact N-OH 3.4Å; L89-Y237 HydrophobicContact CD2-CD1 4.14Å; L89-Y237 HydrophobicContact CD2-CE1 3.74Å; P234-Y237 WeakPolarHBondContact O-CB 3.48Å; P234-Y237 PolarHBondContact O-N 3.4Å; L235-Y237 VanDerWaalsContact C-N 3.25Å; L235-Y237 PolarHBondContact O-N 3.4Å; Y237-Q239 VanDerWaalsContact C-N 3.34Å; Y237-Q239 PolarHBondContact O-N 3.37Å; Y237-V240 PolarHBondContact O-N 3.16Å; Y237-A241 PolarHBondContact O-N 3.14Å |
| 238 | T | 95.8 | Very high | 95 | Very high | 31 Ų | 31 | 67.2 Ų | 67.2 | 19% | 0.19 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 169.6 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | Y86 L235 V240 A241 T242 | Y86-T238 WeakPolarHBondContact CE2-OG1 3.36Å; Y86-T238 WeakPolarHBondContact OH-CB 3.31Å; Y86-T238 WeakPolarHBondContact OH-CG2 3.32Å; Y86-T238 PolarHBondContact OH-OG1 3.39Å; L235-T238 PolarHBondContact O-N 2.82Å; T238-V240 PolarHBondContact O-N 3.14Å; T238-A241 PolarHBondContact O-N 3.07Å; T238-T242 PolarHBondContact O-N 2.69Å; T238-T242 PolarHBondContact O-OG1 3.49Å; T238-T242 VanDerWaalsContact O-OG1 3.12Å |
| 239 | Q | 96.2 | Very high | 94.9 | Very high | 101 Ų | 101 | 64.8 Ų | 64.8 | 47% | 0.472 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 175.9 | -74.9 | 172.3 | -21.6 | 0 | 0 | 112.3 | L235 Y237 A241 T242 V243 | L235-Q239 HydrophobicContact CD1-CG 4.23Å; L235-Q239 HydrophobicContact CG-CG 4.27Å; L235-Q239 WeakPolarHBondContact O-CB 3.36Å; L235-Q239 VanDerWaalsContact O-CG 3.29Å; L235-Q239 WeakPolarHBondContact O-CG 3.2Å; L235-Q239 PolarHBondContact O-N 2.88Å; Y237-Q239 VanDerWaalsContact C-N 3.34Å; Y237-Q239 PolarHBondContact O-N 3.37Å; Q239-A241 PolarHBondContact O-N 3.2Å; Q239-T242 PolarHBondContact O-N 2.87Å; Q239-V243 VanDerWaalsContact O-CB 3.31Å; Q239-V243 WeakPolarHBondContact O-CB 3.19Å; Q239-V243 VanDerWaalsContact O-CG2 3.23Å; Q239-V243 WeakPolarHBondContact O-CG2 3.37Å; Q239-V243 PolarHBondContact O-N 3.06Å |
| 240 | V | 95.2 | Very high | 94.8 | Very high | 78 Ų | 78 | 66.7 Ų | 66.7 | 47% | 0.473 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 176.9 | 164.7 | 0 | 0 | 0 | 0 | 111.7 | V82 V236 Y237 T238 A244 | V82-V240 HydrophobicContact CG1-CG1 4.18Å; V236-V240 WeakPolarHBondContact O-CB 3.4Å; V236-V240 VanDerWaalsContact O-CG2 3.26Å; V236-V240 WeakPolarHBondContact O-CG2 3.3Å; V236-V240 PolarHBondContact O-N 3.04Å; Y237-V240 PolarHBondContact O-N 3.16Å; T238-V240 PolarHBondContact O-N 3.14Å; V240-A244 WeakPolarHBondContact O-CB 3.35Å; V240-A244 PolarHBondContact O-N 2.81Å |
| 241 | A | 95 | Very high | 94.7 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.7 | -47.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | V82 Y86 Y237 T238 Q239 A244 V245 | V82-A241 HydrophobicContact CG1-CB 4.38Å; Y86-A241 HydrophobicContact CD1-CB 3.73Å; Y86-A241 HydrophobicContact CD2-CB 4.24Å; Y86-A241 HydrophobicContact CE1-CB 4.17Å; Y86-A241 HydrophobicContact CG-CB 3.78Å; Y237-A241 PolarHBondContact O-N 3.14Å; T238-A241 PolarHBondContact O-N 3.07Å; Q239-A241 PolarHBondContact O-N 3.2Å; A241-A244 PolarHBondContact O-N 2.96Å; A241-V245 WeakPolarHBondContact O-CG2 3.34Å; A241-V245 PolarHBondContact O-N 3.36Å; A241-V245 VanDerWaalsContact O-N 3.14Å |
| 242 | T | 95.4 | Very high | 94.5 | Very high | 40 Ų | 40 | 53.4 Ų | 53.4 | 25% | 0.245 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 177.3 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | T238 Q239 V245 Y246 | T238-T242 PolarHBondContact O-N 2.69Å; T238-T242 PolarHBondContact O-OG1 3.49Å; T238-T242 VanDerWaalsContact O-OG1 3.12Å; Q239-T242 PolarHBondContact O-N 2.87Å; T242-V245 PolarHBondContact O-N 3.34Å; T242-Y246 HydrophobicContact CG2-CD1 4.46Å; T242-Y246 HydrophobicContact CG2-CD2 3.63Å; T242-Y246 HydrophobicContact CG2-CE1 4.35Å; T242-Y246 HydrophobicContact CG2-CE2 3.49Å; T242-Y246 VanDerWaalsContact CG2-CE2 3.49Å; T242-Y246 HydrophobicContact CG2-CG 4.13Å; T242-Y246 WeakPolarHBondContact O-CB 3.34Å; T242-Y246 PolarHBondContact O-N 3.35Å |
| 243 | V | 94.4 | Very high | 94.5 | Very high | 86 Ų | 86 | 50.3 Ų | 50.3 | 52% | 0.521 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 177.4 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | Q239 V245 Y246 S247 | Q239-V243 VanDerWaalsContact O-CB 3.31Å; Q239-V243 WeakPolarHBondContact O-CB 3.19Å; Q239-V243 VanDerWaalsContact O-CG2 3.23Å; Q239-V243 WeakPolarHBondContact O-CG2 3.37Å; Q239-V243 PolarHBondContact O-N 3.06Å; V243-V245 PolarHBondContact O-N 3.27Å; V243-Y246 PolarHBondContact O-N 3.28Å; V243-S247 WeakPolarHBondContact O-CB 3.28Å; V243-S247 PolarHBondContact O-N 3.48Å; V243-S247 PolarHBondContact O-OG 3.4Å; V243-S247 VanDerWaalsContact O-OG 3.12Å |
| 244 | A | 93 | Very high | 94.5 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59 | -44.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V240 A241 F248 | V240-A244 WeakPolarHBondContact O-CB 3.35Å; V240-A244 PolarHBondContact O-N 2.81Å; A241-A244 PolarHBondContact O-N 2.96Å; A244-F248 WeakPolarHBondContact O-CB 3.39Å; A244-F248 PolarHBondContact O-N 2.84Å |
| 245 | V | 94.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.8 | -46.9 | 178 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | V79 L83 A241 T242 V243 F248 F249 V286 L289 | V79-V245 HydrophobicContact CG1-CG2 3.68Å; L83-V245 HydrophobicContact CD1-CG2 4.38Å; L83-V245 HydrophobicContact CD2-CG2 4.18Å; A241-V245 WeakPolarHBondContact O-CG2 3.34Å; A241-V245 PolarHBondContact O-N 3.36Å; A241-V245 VanDerWaalsContact O-N 3.14Å; T242-V245 PolarHBondContact O-N 3.34Å; V243-V245 PolarHBondContact O-N 3.27Å; V245-F248 PolarHBondContact O-N 3.12Å; V245-F249 HydrophobicContact CG1-CD2 3.92Å; V245-F249 HydrophobicContact CG1-CE2 3.93Å; V245-F249 VanDerWaalsContact O-CD2 3.24Å; V245-F249 WeakPolarHBondContact O-CD2 3.28Å; V245-F249 PolarHBondContact O-N 2.89Å; V245-V286 HydrophobicContact CG1-CG2 4.31Å; V245-L289 HydrophobicContact CB-CD2 4.08Å; V245-L289 HydrophobicContact CG1-CD2 4.03Å; V245-L289 HydrophobicContact CG2-CD2 4.23Å |
| 246 | Y | 94.5 | Very high | 94.1 | Very high | 110 Ų | 110 | 43.9 Ų | 43.9 | 43% | 0.431 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -73.8 | -34.1 | -175.7 | -71.2 | 2.2 | 0 | 0 | 0 | 112.8 | T242 V243 F249 L250 L289 | T242-Y246 HydrophobicContact CG2-CD1 4.46Å; T242-Y246 HydrophobicContact CG2-CD2 3.63Å; T242-Y246 HydrophobicContact CG2-CE1 4.35Å; T242-Y246 HydrophobicContact CG2-CE2 3.49Å; T242-Y246 VanDerWaalsContact CG2-CE2 3.49Å; T242-Y246 HydrophobicContact CG2-CG 4.13Å; T242-Y246 WeakPolarHBondContact O-CB 3.34Å; T242-Y246 PolarHBondContact O-N 3.35Å; V243-Y246 PolarHBondContact O-N 3.28Å; Y246-F249 PolarHBondContact O-N 2.87Å; Y246-L250 VanDerWaalsContact O-CB 3.31Å; Y246-L250 WeakPolarHBondContact O-CB 3.29Å; Y246-L250 PolarHBondContact O-N 3.47Å; Y246-L289 HydrophobicContact CE1-CD2 4.02Å |
| 247 | S | 93.1 | Very high | 93.9 | Very high | 56 Ų | 56 | 39.5 Ų | 39.5 | 39% | 0.392 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67 | -36.6 | 171.7 | -67.3 | 0 | 0 | 0 | 0 | 112.1 | V243 L250 A251 | V243-S247 WeakPolarHBondContact O-CB 3.28Å; V243-S247 PolarHBondContact O-N 3.48Å; V243-S247 PolarHBondContact O-OG 3.4Å; V243-S247 VanDerWaalsContact O-OG 3.12Å; S247-L250 PolarHBondContact O-N 3.12Å; S247-A251 WeakPolarHBondContact O-CB 3.49Å; S247-A251 PolarHBondContact O-N 3.45Å |
| 248 | F | 94.3 | Very high | 93.6 | Very high | 12 Ų | 12 | 38.4 Ų | 38.4 | 5% | 0.053 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.5 | -47.6 | 171 | 171.8 | -94.3 | 0 | 0 | 0 | 111.5 | A74 I77 V79 A244 V245 L250 A251 C252 Y285 | A74-F248 HydrophobicContact CB-CD2 4.2Å; A74-F248 HydrophobicContact CB-CE2 4.11Å; A74-F248 WeakPolarHBondContact O-CD2 3.05Å; A74-F248 WeakPolarHBondContact O-CE2 3.4Å; I77-F248 HydrophobicContact CD1-CB 4.12Å; V79-F248 HydrophobicContact CG2-CB 3.7Å; V79-F248 HydrophobicContact CG2-CD2 4.04Å; V79-F248 HydrophobicContact CG2-CG 3.84Å; A244-F248 WeakPolarHBondContact O-CB 3.39Å; A244-F248 PolarHBondContact O-N 2.84Å; V245-F248 PolarHBondContact O-N 3.12Å; F248-L250 PolarHBondContact O-N 3.07Å; F248-A251 WeakPolarHBondContact O-CB 3.23Å; F248-A251 PolarHBondContact O-N 3.06Å; F248-C252 PolarHBondContact O-N 3.42Å; F248-C252 PolarHBondContact O-SG 2.98Å; F248-C252 VanDerWaalsContact O-SG 3.42Å; F248-Y285 AromaticContact CE1-CD2 3.89Å; F248-Y285 HydrophobicContact CE1-CD2 3.89Å; F248-Y285 HydrophobicContact CE1-CE2 4.1Å; F248-Y285 HydrophobicContact CZ-CD2 4.37Å; F248-Y285 HydrophobicContact CZ-CE2 4.11Å |
| 249 | F | 94.2 | Very high | 93.3 | Very high | 12 Ų | 12 | 37 Ų | 37 | 5% | 0.053 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.3 | -30.3 | 177.8 | -76.5 | -65.8 | 0 | 0 | 0 | 114.2 | F39 V245 Y246 A251 C252 L253 F282 Y285 V286 | F39-F249 HydrophobicContact CE2-CB 4.27Å; F39-F249 AromaticContact CE2-CD1 3.99Å; F39-F249 HydrophobicContact CE2-CD1 3.99Å; F39-F249 HydrophobicContact CZ-CD1 4.27Å; V245-F249 HydrophobicContact CG1-CD2 3.92Å; V245-F249 HydrophobicContact CG1-CE2 3.93Å; V245-F249 VanDerWaalsContact O-CD2 3.24Å; V245-F249 WeakPolarHBondContact O-CD2 3.28Å; V245-F249 PolarHBondContact O-N 2.89Å; Y246-F249 PolarHBondContact O-N 2.87Å; F249-A251 VanDerWaalsContact C-N 3.34Å; F249-C252 HydrophobicContact CD1-CB 4.48Å; F249-C252 PolarHBondContact O-N 2.69Å; F249-L253 VanDerWaalsContact O-CB 3.27Å; F249-L253 WeakPolarHBondContact O-CB 3.38Å; F249-L253 PolarHBondContact O-N 3.49Å; F249-F282 AromaticContact CD1-CD2 3.81Å; F249-F282 HydrophobicContact CD1-CD2 3.81Å; F249-F282 HydrophobicContact CE1-CB 3.88Å; F249-F282 AromaticContact CE1-CD2 3.91Å; F249-F282 HydrophobicContact CE1-CD2 3.91Å; F249-F282 HydrophobicContact CE1-CG 4.34Å; F249-F282 HydrophobicContact CG-CD2 4.17Å; F249-F282 VanDerWaalsContact CZ-CA 3.48Å; F249-F282 HydrophobicContact CZ-CB 4.23Å; F249-F282 HydrophobicContact CZ-CD2 4.34Å; F249-Y285 HydrophobicContact CZ-CD2 4.15Å; F249-Y285 HydrophobicContact CZ-CG 4.47Å; F249-V286 HydrophobicContact CD2-CG2 3.62Å; F249-V286 HydrophobicContact CE2-CG2 3.34Å; F249-V286 HydrophobicContact CG-CG2 4.46Å; F249-V286 HydrophobicContact CZ-CG2 3.99Å |
| 250 | L | 93.2 | Very high | 92.8 | Very high | 108 Ų | 108 | 35 Ų | 35 | 57% | 0.565 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -63.7 | -39.9 | 170.2 | -179.3 | 62.2 | 0 | 0 | 0 | 111.6 | Y246 S247 F248 L253 | Y246-L250 VanDerWaalsContact O-CB 3.31Å; Y246-L250 WeakPolarHBondContact O-CB 3.29Å; Y246-L250 PolarHBondContact O-N 3.47Å; S247-L250 PolarHBondContact O-N 3.12Å; F248-L250 PolarHBondContact O-N 3.07Å; L250-L253 PolarHBondContact O-N 3.1Å |
| 251 | A | 93 | Very high | 92.4 | Very high | 12 Ų | 12 | 34.2 Ų | 34.2 | 10% | 0.099 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.6 | -47.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A74 S247 F248 F249 L253 I254 G255 | A74-A251 HydrophobicContact CB-CB 4.02Å; S247-A251 WeakPolarHBondContact O-CB 3.49Å; S247-A251 PolarHBondContact O-N 3.45Å; F248-A251 WeakPolarHBondContact O-CB 3.23Å; F248-A251 PolarHBondContact O-N 3.06Å; F249-A251 VanDerWaalsContact C-N 3.34Å; A251-L253 VanDerWaalsContact C-N 3.29Å; A251-L253 PolarHBondContact O-N 3.35Å; A251-I254 PolarHBondContact O-N 3.12Å; A251-G255 PolarHBondContact O-N 3.5Å |
| 252 | C | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.2 | -32.1 | 176.2 | -70.6 | 0 | 0 | 0 | 0 | 113.6 | F248 F249 I254 R256 T278 | F248-C252 PolarHBondContact O-N 3.42Å; F248-C252 PolarHBondContact O-SG 2.98Å; F248-C252 VanDerWaalsContact O-SG 3.42Å; F249-C252 HydrophobicContact CD1-CB 4.48Å; F249-C252 PolarHBondContact O-N 2.69Å; C252-I254 PolarHBondContact O-N 3.03Å; C252-R256 HydrophobicContact CB-CG 4.09Å; C252-R256 VanDerWaalsContact O-CB 3.28Å; C252-R256 WeakPolarHBondContact O-CB 3.44Å; C252-R256 PolarHBondContact O-N 2.95Å; C252-T278 HydrophobicContact CB-CG2 4.22Å |
| 253 | L | 93.4 | Very high | 91.4 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 7% | 0.068 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.7 | -31.6 | -179.4 | -171.5 | 66.7 | 0 | 0 | 0 | 112.9 | F39 L42 F46 F249 L250 A251 Q257 | F39-L253 HydrophobicContact CD2-CD1 4.13Å; F39-L253 HydrophobicContact CE2-CB 4.4Å; F39-L253 HydrophobicContact CE2-CD1 3.95Å; L42-L253 HydrophobicContact CB-CD1 3.87Å; L42-L253 HydrophobicContact CB-CD2 4.1Å; L42-L253 HydrophobicContact CD1-CD2 4.48Å; F46-L253 HydrophobicContact CD2-CD2 4.15Å; F46-L253 HydrophobicContact CD2-CG 3.94Å; F46-L253 HydrophobicContact CE2-CD2 3.76Å; F46-L253 HydrophobicContact CE2-CG 4.04Å; F249-L253 VanDerWaalsContact O-CB 3.27Å; F249-L253 WeakPolarHBondContact O-CB 3.38Å; F249-L253 PolarHBondContact O-N 3.49Å; L250-L253 PolarHBondContact O-N 3.1Å; A251-L253 VanDerWaalsContact C-N 3.29Å; A251-L253 PolarHBondContact O-N 3.35Å; L253-Q257 PolarHBondContact O-NE2 3.04Å |
| 254 | I | 92.9 | Very high | 90.9 | Very high | 28 Ų | 28 | 37.9 Ų | 37.9 | 14% | 0.144 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -100.8 | -45.3 | 176.9 | -55.9 | 175.6 | 0 | 0 | 0 | 110.5 | F63 L66 S67 C70 A251 C252 R256 Q257 | F63-I254 HydrophobicContact CE2-CG2 4.29Å; F63-I254 HydrophobicContact CZ-CG2 4.46Å; L66-I254 HydrophobicContact CD2-CG2 4.19Å; L66-I254 HydrophobicContact CG-CG2 4.07Å; S67-I254 PolarHBondContact OG-O 2.99Å; S67-I254 VanDerWaalsContact OG-O 3.08Å; C70-I254 HydrophobicContact CB-CB 4.35Å; A251-I254 PolarHBondContact O-N 3.12Å; C252-I254 PolarHBondContact O-N 3.03Å; I254-R256 PolarHBondContact O-N 3.23Å; I254-Q257 WeakPolarHBondContact O-CB 3.24Å; I254-Q257 WeakPolarHBondContact O-CG 3.3Å; I254-Q257 PolarHBondContact O-N 2.85Å |
| 255 | G | 91.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -75.7 | -17.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | S67 A251 | S67-G255 VanDerWaalsContact O-CA 3.3Å; S67-G255 WeakPolarHBondContact O-CA 3.27Å; S67-G255 WeakPolarHBondContact OG-CA 3.31Å; S67-G255 PolarHBondContact OG-O 2.92Å; A251-G255 PolarHBondContact O-N 3.5Å |
| 256 | R | 91.5 | Very high | 90 | Very high | 54 Ų | 54 | 45 Ų | 45 | 20% | 0.204 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 23 | 175 | -57.9 | -73.1 | 157.3 | 74.3 | 2.2 | 112.3 | Y43 D71 C252 I254 T278 Q281 | Y43-R256 VanDerWaalsContact CE2-O 3.26Å; Y43-R256 WeakPolarHBondContact CE2-O 3.35Å; Y43-R256 PolarHBondContact OH-O 3.47Å; D71-R256 IonicContact OD1-CZ 3.2Å; D71-R256 IonicContact OD1-NE 3.46Å; D71-R256 PolarHBondContact OD1-NE 3.49Å; D71-R256 IonicContact OD1-NH2 3.63Å; D71-R256 PolarHBondContact OD1-NH2 3.45Å; C252-R256 HydrophobicContact CB-CG 4.09Å; C252-R256 VanDerWaalsContact O-CB 3.28Å; C252-R256 WeakPolarHBondContact O-CB 3.44Å; C252-R256 PolarHBondContact O-N 2.95Å; I254-R256 PolarHBondContact O-N 3.23Å; R256-T278 HydrophobicContact CB-CG2 4.18Å; R256-T278 HydrophobicContact CG-CG2 4.16Å; R256-Q281 VanDerWaalsContact NH1-OE1 3.16Å |
| 257 | Q | 91.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -78 | 133.8 | 173.6 | -68.8 | -72.1 | -21.3 | 0 | 0 | 109.8 | Y43 S47 F63 L253 I254 L259 | Y43-Q257 VanDerWaalsContact CD2-NE2 3.3Å; Y43-Q257 HydrophobicContact CE2-CG 4.36Å; Y43-Q257 PolarHBondContact O-NE2 3.26Å; S47-Q257 VanDerWaalsContact CA-OE1 3.31Å; F63-Q257 HydrophobicContact CE1-CB 4.16Å; F63-Q257 HydrophobicContact CE1-CG 4.34Å; F63-Q257 HydrophobicContact CZ-CB 4.41Å; F63-Q257 HydrophobicContact CZ-CG 4.08Å; L253-Q257 PolarHBondContact O-NE2 3.04Å; I254-Q257 WeakPolarHBondContact O-CB 3.24Å; I254-Q257 WeakPolarHBondContact O-CG 3.3Å; I254-Q257 PolarHBondContact O-N 2.85Å; Q257-L259 PolarHBondContact O-N 3.4Å |
| 258 | F | 90.1 | Very high | 89 | Confident | 43 Ų | 43 | 41.8 Ų | 41.8 | 19% | 0.189 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 123.3 | 173.9 | -62 | -71.5 | 0 | 0 | 0 | 109.7 | Y43 V270 D271 F272 P275 | Y43-F258 WeakPolarHBondContact OH-CD2 3.33Å; F258-V270 WeakPolarHBondContact CD1-O 3.36Å; F258-D271 HydrophobicContact CB-CB 4.02Å; F258-D271 VanDerWaalsContact CB-OD1 3.23Å; F258-D271 WeakPolarHBondContact CB-OD1 3.46Å; F258-D271 VanDerWaalsContact CD2-OD1 3.31Å; F258-D271 WeakPolarHBondContact CD2-OD1 3.46Å; F258-D271 HydrophobicContact CG-CB 4.4Å; F258-D271 VanDerWaalsContact CG-OD1 3.22Å; F258-D271 WeakPolarHBondContact CG-OD1 3.27Å; F258-F272 HydrophobicContact CE1-CB 4.17Å; F258-F272 AromaticContact CE1-CD2 3.98Å; F258-F272 HydrophobicContact CE1-CD2 3.98Å; F258-F272 HydrophobicContact CE2-CB 4.39Å; F258-F272 HydrophobicContact CZ-CB 3.82Å; F258-F272 HydrophobicContact CZ-CD2 4.34Å; F258-P275 HydrophobicContact CE2-CB 4.21Å; F258-P275 HydrophobicContact CZ-CB 4.38Å |
| 259 | L | 88.8 | Confident | 88.4 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -95.7 | 163.5 | 179.3 | -55.6 | -177.5 | 0 | 0 | 0 | 110.1 | E64 I68 Q257 P261 Y265 H268 | E64-L259 HydrophobicContact CB-CD1 4.15Å; E64-L259 HydrophobicContact CB-CD2 4.44Å; E64-L259 HydrophobicContact CG-CB 4.42Å; E64-L259 HydrophobicContact CG-CD1 4.14Å; E64-L259 HydrophobicContact CG-CD2 3.88Å; E64-L259 HydrophobicContact CG-CG 4.36Å; I68-L259 HydrophobicContact CD1-CD1 4.36Å; I68-L259 HydrophobicContact CG1-CD1 4.26Å; Q257-L259 PolarHBondContact O-N 3.4Å; L259-P261 WeakPolarHBondContact O-CD 3.29Å; L259-Y265 HydrophobicContact CD1-CD2 4.08Å; L259-H268 HydrophobicContact CB-CB 4.28Å; L259-H268 HydrophobicContact CD1-CB 4.47Å |
| 260 | D | 86.5 | Confident | 87.8 | Confident | 58 Ų | 58 | 49 Ų | 49 | 31% | 0.31 | 30% | 0.304 | S | S | . | . | trans | -58.2 | 111.9 | 176 | 171.7 | 22.1 | 0 | 0 | 0 | 112.1 | Y50 A262 Q263 | Y50-D260 WeakPolarHBondContact OH-CB 3.43Å; Y50-D260 PolarHBondContact OH-N 3.23Å; D260-A262 PolarHBondContact O-N 2.93Å; D260-A262 VanDerWaalsContact O-N 3.13Å; D260-A262 VanDerWaalsContact OD1-CB 3.28Å; D260-A262 WeakPolarHBondContact OD1-CB 3.35Å; D260-A262 PolarHBondContact OD1-N 3.42Å; D260-Q263 HydrophobicContact CB-CG 4.11Å; D260-Q263 PolarHBondContact O-N 2.92Å; D260-Q263 VanDerWaalsContact O-N 3.08Å; D260-Q263 PolarHBondContact OD2-NE2 2.91Å | ||
| 261 | P | 85.8 | Confident | 87.4 | Confident | 62 Ų | 62 | 48 Ų | 48 | 40% | 0.403 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -62.6 | -22.1 | -178.6 | -24.2 | 36.4 | 0 | 0 | 0 | 113.3 | L259 Q263 G264 | L259-P261 WeakPolarHBondContact O-CD 3.29Å; P261-Q263 PolarHBondContact O-N 3.23Å; P261-Q263 VanDerWaalsContact O-N 3.08Å; P261-G264 PolarHBondContact O-N 3.38Å; P261-G264 VanDerWaalsContact O-N 3.12Å |
| 262 | A | 85.1 | Confident | 86.9 | Confident | 82 Ų | 82 | 54.4 Ų | 54.4 | 68% | 0.678 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -67 | -6.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D260 | D260-A262 PolarHBondContact O-N 2.93Å; D260-A262 VanDerWaalsContact O-N 3.13Å; D260-A262 VanDerWaalsContact OD1-CB 3.28Å; D260-A262 WeakPolarHBondContact OD1-CB 3.35Å; D260-A262 PolarHBondContact OD1-N 3.42Å |
| 263 | Q | 84.6 | Confident | 86.4 | Confident | 68 Ų | 68 | 59.9 Ų | 59.9 | 32% | 0.318 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -90.5 | -13.7 | 173.7 | -53.7 | -45.2 | -58.1 | 0 | 0 | 114.2 | D260 P261 Y265 | D260-Q263 HydrophobicContact CB-CG 4.11Å; D260-Q263 PolarHBondContact O-N 2.92Å; D260-Q263 VanDerWaalsContact O-N 3.08Å; D260-Q263 PolarHBondContact OD2-NE2 2.91Å; P261-Q263 PolarHBondContact O-N 3.23Å; P261-Q263 VanDerWaalsContact O-N 3.08Å; Q263-Y265 VanDerWaalsContact C-N 3.3Å; Q263-Y265 HydrophobicContact CB-CD2 3.62Å; Q263-Y265 HydrophobicContact CB-CE2 3.49Å; Q263-Y265 VanDerWaalsContact CB-CE2 3.49Å; Q263-Y265 HydrophobicContact CB-CG 4.36Å; Q263-Y265 HydrophobicContact CG-CD2 4.4Å; Q263-Y265 HydrophobicContact CG-CE2 3.94Å; Q263-Y265 PolarHBondContact O-N 3.04Å |
| 264 | G | 84.5 | Confident | 86.1 | Confident | 53 Ų | 53 | 63 Ų | 63 | 55% | 0.546 | 36% | 0.363 | S | S | . | . | trans | 60.6 | 35 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P261 S266 | P261-G264 PolarHBondContact O-N 3.38Å; P261-G264 VanDerWaalsContact O-N 3.12Å; G264-S266 PolarHBondContact O-N 3.25Å | ||
| 265 | Y | 86.7 | Confident | 86 | Confident | 59 Ų | 59 | 62 Ų | 62 | 23% | 0.231 | 36% | 0.359 | C | S | . | . | trans | -70.7 | 118.7 | 174 | -71.7 | -55.4 | 0 | 0 | 0 | 110 | E64 I68 L259 Q263 G267 H268 | E64-Y265 HydrophobicContact CB-CE2 3.83Å; E64-Y265 HydrophobicContact CG-CE2 3.98Å; I68-Y265 HydrophobicContact CD1-CD1 3.82Å; I68-Y265 HydrophobicContact CD1-CE1 4.19Å; I68-Y265 HydrophobicContact CD1-CG 4.04Å; L259-Y265 HydrophobicContact CD1-CD2 4.08Å; Q263-Y265 VanDerWaalsContact C-N 3.3Å; Q263-Y265 HydrophobicContact CB-CD2 3.62Å; Q263-Y265 HydrophobicContact CB-CE2 3.49Å; Q263-Y265 VanDerWaalsContact CB-CE2 3.49Å; Q263-Y265 HydrophobicContact CB-CG 4.36Å; Q263-Y265 HydrophobicContact CG-CD2 4.4Å; Q263-Y265 HydrophobicContact CG-CE2 3.94Å; Q263-Y265 PolarHBondContact O-N 3.04Å; Y265-G267 PolarHBondContact O-N 3.19Å; Y265-H268 WeakPolarHBondContact O-CA 3.27Å; Y265-H268 WeakPolarHBondContact O-CB 3.47Å; Y265-H268 PolarHBondContact O-N 2.92Å | ||
| 266 | S | 82.4 | Confident | 86 | Confident | 111 Ų | 111 | 65.6 Ų | 65.6 | 78% | 0.776 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 121.9 | -177.5 | 56.4 | 0 | 0 | 0 | 0 | 112.6 | G264 H268 | G264-S266 PolarHBondContact O-N 3.25Å; S266-H268 VanDerWaalsContact C-N 3.31Å; S266-H268 PolarHBondContact O-ND1 3.28Å |
| 267 | G | 81.1 | Confident | 86 | Confident | 69 Ų | 69 | 70.8 Ų | 70.8 | 71% | 0.711 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | -1.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y265 D269 | Y265-G267 PolarHBondContact O-N 3.19Å; G267-D269 WeakPolarHBondContact CA-OD2 3.31Å; G267-D269 PolarHBondContact N-OD2 3.16Å |
| 268 | H | 84.5 | Confident | 86.1 | Confident | 29 Ų | 29 | 71.2 Ų | 71.2 | 13% | 0.134 | 41% | 0.407 | C | S | . | . | trans | -118.6 | 31 | 177.2 | -62.6 | 73.3 | 0 | 0 | 0 | 111 | L259 Y265 S266 V270 | L259-H268 HydrophobicContact CB-CB 4.28Å; L259-H268 HydrophobicContact CD1-CB 4.47Å; Y265-H268 WeakPolarHBondContact O-CA 3.27Å; Y265-H268 WeakPolarHBondContact O-CB 3.47Å; Y265-H268 PolarHBondContact O-N 2.92Å; S266-H268 VanDerWaalsContact C-N 3.31Å; S266-H268 PolarHBondContact O-ND1 3.28Å; H268-V270 VanDerWaalsContact C-N 3.3Å; H268-V270 PolarHBondContact O-N 2.84Å | ||
| 269 | D | 81.8 | Confident | 86.3 | Confident | 96 Ų | 96 | 70.6 Ų | 70.6 | 51% | 0.513 | 41% | 0.406 | S | S | . | . | trans | -78.6 | -8.2 | -171.3 | -49.7 | -86.9 | 0 | 0 | 0 | 114 | G267 | G267-D269 WeakPolarHBondContact CA-OD2 3.31Å; G267-D269 PolarHBondContact N-OD2 3.16Å | ||
| 270 | V | 81.9 | Confident | 86.5 | Confident | 78 Ų | 78 | 75.1 Ų | 75.1 | 47% | 0.473 | 43% | 0.43 | S | S | . | . | trans | -142.4 | 129.7 | -177.6 | -173.5 | 0 | 0 | 0 | 0 | 111 | F258 H268 F272 | F258-V270 WeakPolarHBondContact CD1-O 3.36Å; H268-V270 VanDerWaalsContact C-N 3.3Å; H268-V270 PolarHBondContact O-N 2.84Å; V270-F272 HydrophobicContact CB-CD2 4.44Å; V270-F272 HydrophobicContact CB-CE2 3.89Å; V270-F272 HydrophobicContact CB-CZ 4.18Å; V270-F272 HydrophobicContact CG1-CD1 4.29Å; V270-F272 HydrophobicContact CG1-CD2 4.04Å; V270-F272 HydrophobicContact CG1-CE1 3.91Å; V270-F272 HydrophobicContact CG1-CE2 3.64Å; V270-F272 HydrophobicContact CG1-CG 4.36Å; V270-F272 HydrophobicContact CG1-CZ 3.57Å | ||
| 271 | D | 83.7 | Confident | 86.9 | Confident | 87 Ų | 87 | 75.6 Ų | 75.6 | 47% | 0.465 | 43% | 0.43 | S | S | . | . | trans | -93.4 | 120.6 | 167.8 | -177.6 | 6.5 | 0 | 0 | 0 | 110.1 | F258 Y273 | F258-D271 HydrophobicContact CB-CB 4.02Å; F258-D271 VanDerWaalsContact CB-OD1 3.23Å; F258-D271 WeakPolarHBondContact CB-OD1 3.46Å; F258-D271 VanDerWaalsContact CD2-OD1 3.31Å; F258-D271 WeakPolarHBondContact CD2-OD1 3.46Å; F258-D271 HydrophobicContact CG-CB 4.4Å; F258-D271 VanDerWaalsContact CG-OD1 3.22Å; F258-D271 WeakPolarHBondContact CG-OD1 3.27Å; D271-Y273 WeakPolarHBondContact OD1-CA 3.24Å; D271-Y273 PolarHBondContact OD1-N 3.04Å | ||
| 272 | F | 83.3 | Confident | 87.3 | Confident | 148 Ų | 148 | 73.1 Ų | 73.1 | 65% | 0.649 | 41% | 0.413 | S | S | * | . | trans | -103.1 | -2.9 | 174.9 | -67.4 | -77.7 | 0 | 0 | 0 | 113.4 | F258 V270 L274 | F258-F272 HydrophobicContact CE1-CB 4.17Å; F258-F272 AromaticContact CE1-CD2 3.98Å; F258-F272 HydrophobicContact CE1-CD2 3.98Å; F258-F272 HydrophobicContact CE2-CB 4.39Å; F258-F272 HydrophobicContact CZ-CB 3.82Å; F258-F272 HydrophobicContact CZ-CD2 4.34Å; V270-F272 HydrophobicContact CB-CD2 4.44Å; V270-F272 HydrophobicContact CB-CE2 3.89Å; V270-F272 HydrophobicContact CB-CZ 4.18Å; V270-F272 HydrophobicContact CG1-CD1 4.29Å; V270-F272 HydrophobicContact CG1-CD2 4.04Å; V270-F272 HydrophobicContact CG1-CE1 3.91Å; V270-F272 HydrophobicContact CG1-CE2 3.64Å; V270-F272 HydrophobicContact CG1-CG 4.36Å; V270-F272 HydrophobicContact CG1-CZ 3.57Å; F272-L274 PolarHBondContact O-N 3.4Å | ||
| 273 | Y | 82.3 | Confident | 87.7 | Confident | 114 Ų | 114 | 71.7 Ų | 71.7 | 45% | 0.447 | 39% | 0.392 | S | S | . | . | S | Bend | trans | 58.5 | -25.1 | -174.3 | -169.1 | -99.3 | 0 | 0 | 0 | 116.7 | Y44 D271 | Y44-Y273 HydrophobicContact CD1-CE1 4.35Å; Y44-Y273 AromaticContact CE1-CD1 3.96Å; Y44-Y273 HydrophobicContact CE1-CD1 3.96Å; Y44-Y273 AromaticContact CE1-CE1 3.52Å; Y44-Y273 HydrophobicContact CE1-CE1 3.52Å; Y44-Y273 HydrophobicContact CE1-CE2 4.24Å; Y44-Y273 HydrophobicContact CE1-CG 4.49Å; Y44-Y273 AromaticContact CE1-CZ 3.69Å; Y44-Y273 VanDerWaalsContact CE1-O 3.28Å; Y44-Y273 WeakPolarHBondContact CE1-O 3.44Å; Y44-Y273 AromaticContact CZ-CE1 4Å; Y44-Y273 PolarHBondContact OH-O 3.49Å; Y44-Y273 VanDerWaalsContact OH-O 3.09Å; D271-Y273 WeakPolarHBondContact OD1-CA 3.24Å; D271-Y273 PolarHBondContact OD1-N 3.04Å |
| 274 | L | 86.9 | Confident | 88.1 | Confident | 78 Ų | 78 | 73.8 Ų | 73.8 | 41% | 0.408 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -119.3 | 115.7 | 176.9 | -178.9 | 69.8 | 0 | 0 | 0 | 109.3 | Y44 F272 V276 L279 | Y44-L274 WeakPolarHBondContact OH-CD1 3.35Å; F272-L274 PolarHBondContact O-N 3.4Å; L274-V276 HydrophobicContact CD2-CG2 3.88Å; L274-V276 HydrophobicContact CG-CG2 3.99Å; L274-V276 PolarHBondContact O-N 3.36Å; L274-L279 HydrophobicContact CD1-CD1 3.74Å; L274-L279 HydrophobicContact CG-CD1 4.33Å |
| 275 | P | 90.8 | Very high | 88.6 | Confident | 9 Ų | 9 | 73.4 Ų | 73.4 | 6% | 0.058 | 38% | 0.382 | C | S | . | . | trans | -81.6 | 66.6 | -175.9 | 36.5 | -40.4 | 0 | 0 | 0 | 111.3 | Y43 F258 F277 T278 L279 | Y43-P275 HydrophobicContact CD1-CG 3.97Å; Y43-P275 HydrophobicContact CD2-CG 4.21Å; Y43-P275 HydrophobicContact CE1-CB 4.34Å; Y43-P275 HydrophobicContact CE1-CG 3.6Å; Y43-P275 HydrophobicContact CE2-CB 4.18Å; Y43-P275 HydrophobicContact CE2-CG 3.84Å; Y43-P275 HydrophobicContact CG-CG 4.28Å; F258-P275 HydrophobicContact CE2-CB 4.21Å; F258-P275 HydrophobicContact CZ-CB 4.38Å; P275-F277 VanDerWaalsContact C-N 3.33Å; P275-F277 PolarHBondContact O-N 3.05Å; P275-T278 WeakPolarHBondContact O-CA 3.44Å; P275-T278 WeakPolarHBondContact O-CB 3.49Å; P275-T278 PolarHBondContact O-N 2.82Å; P275-L279 HydrophobicContact CG-CG 4.46Å; P275-L279 PolarHBondContact O-N 3.27Å | ||
| 276 | V | 92.9 | Very high | 89 | Confident | 75 Ų | 75 | 70.8 Ų | 70.8 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -49.6 | -47.9 | -171.1 | 178.2 | 0 | 0 | 0 | 0 | 112.7 | L274 T278 L279 L280 | L274-V276 HydrophobicContact CD2-CG2 3.88Å; L274-V276 HydrophobicContact CG-CG2 3.99Å; L274-V276 PolarHBondContact O-N 3.36Å; V276-T278 PolarHBondContact O-N 3.13Å; V276-L279 PolarHBondContact O-N 3.11Å; V276-L280 HydrophobicContact CG1-CD1 4.3Å; V276-L280 WeakPolarHBondContact O-CG 3.48Å; V276-L280 PolarHBondContact O-N 3.21Å |
| 277 | F | 91.5 | Very high | 89.7 | Confident | 163 Ų | 163 | 65.6 Ų | 65.6 | 72% | 0.715 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -68.8 | -31.2 | 179.4 | -66.3 | -70.5 | 0 | 0 | 0 | 113.5 | P275 L280 Q281 | P275-F277 VanDerWaalsContact C-N 3.33Å; P275-F277 PolarHBondContact O-N 3.05Å; F277-L280 HydrophobicContact CD1-CD1 4.18Å; F277-L280 PolarHBondContact O-N 3.39Å; F277-Q281 WeakPolarHBondContact O-CG 3.14Å; F277-Q281 PolarHBondContact O-N 2.98Å |
| 278 | T | 93 | Very high | 90.3 | Very high | 10 Ų | 10 | 66 Ų | 66 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.2 | -36.7 | 173.1 | -48.2 | 0 | 0 | 0 | 0 | 110.9 | F39 C252 R256 P275 V276 Q281 F282 | F39-T278 HydrophobicContact CE1-CG2 4.31Å; F39-T278 HydrophobicContact CZ-CG2 4Å; C252-T278 HydrophobicContact CB-CG2 4.22Å; R256-T278 HydrophobicContact CB-CG2 4.18Å; R256-T278 HydrophobicContact CG-CG2 4.16Å; P275-T278 WeakPolarHBondContact O-CA 3.44Å; P275-T278 WeakPolarHBondContact O-CB 3.49Å; P275-T278 PolarHBondContact O-N 2.82Å; V276-T278 PolarHBondContact O-N 3.13Å; T278-Q281 PolarHBondContact O-N 2.88Å; T278-F282 WeakPolarHBondContact O-CB 3.39Å; T278-F282 PolarHBondContact O-N 2.8Å |
| 279 | L | 94.1 | Very high | 90.9 | Very high | 30 Ų | 30 | 64.9 Ų | 64.9 | 16% | 0.157 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.3 | -38 | 172.9 | -62.1 | 174.1 | 0 | 0 | 0 | 111.6 | L36 F39 L274 P275 V276 F282 F283 | L36-L279 HydrophobicContact CD1-CD2 4.08Å; F39-L279 HydrophobicContact CD1-CD2 4.03Å; F39-L279 HydrophobicContact CE1-CD2 4.06Å; L274-L279 HydrophobicContact CD1-CD1 3.74Å; L274-L279 HydrophobicContact CG-CD1 4.33Å; P275-L279 HydrophobicContact CG-CG 4.46Å; P275-L279 PolarHBondContact O-N 3.27Å; V276-L279 PolarHBondContact O-N 3.11Å; L279-F282 WeakPolarHBondContact O-CB 3.24Å; L279-F282 PolarHBondContact O-N 3.32Å; L279-F283 VanDerWaalsContact O-CD2 3.24Å; L279-F283 WeakPolarHBondContact O-CD2 3.42Å; L279-F283 PolarHBondContact O-N 2.84Å |
| 280 | L | 94.1 | Very high | 91.6 | Very high | 98 Ų | 98 | 60.9 Ų | 60.9 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 172.1 | -69 | 172.1 | 0 | 0 | 0 | 112.3 | V276 F277 F282 F283 F284 | V276-L280 HydrophobicContact CG1-CD1 4.3Å; V276-L280 WeakPolarHBondContact O-CG 3.48Å; V276-L280 PolarHBondContact O-N 3.21Å; F277-L280 HydrophobicContact CD1-CD1 4.18Å; F277-L280 PolarHBondContact O-N 3.39Å; L280-F282 VanDerWaalsContact C-N 3.32Å; L280-F282 PolarHBondContact O-N 3.37Å; L280-F283 PolarHBondContact O-N 2.82Å; L280-F284 PolarHBondContact O-N 3.4Å |
| 281 | Q | 93.4 | Very high | 92.2 | Very high | 69 Ų | 69 | 59.9 Ų | 59.9 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.2 | -37.5 | 171.1 | -74 | 174.8 | 4.9 | 0 | 0 | 111.7 | R256 F277 T278 F284 Y285 | R256-Q281 VanDerWaalsContact NH1-OE1 3.16Å; F277-Q281 WeakPolarHBondContact O-CG 3.14Å; F277-Q281 PolarHBondContact O-N 2.98Å; T278-Q281 PolarHBondContact O-N 2.88Å; Q281-F284 PolarHBondContact O-N 3.44Å; Q281-Y285 HydrophobicContact CB-CD2 4.47Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.35Å; Q281-Y285 PolarHBondContact O-N 2.97Å |
| 282 | F | 94.6 | Very high | 92.8 | Very high | 10 Ų | 10 | 55.8 Ų | 55.8 | 4% | 0.044 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.8 | -49.7 | 173.6 | -172.2 | -83.7 | 0 | 0 | 0 | 111.8 | E35 L36 F39 F249 T278 L279 L280 F284 V286 | E35-F282 HydrophobicContact CB-CE1 4.38Å; E35-F282 HydrophobicContact CB-CZ 3.92Å; E35-F282 WeakPolarHBondContact O-CZ 3.47Å; L36-F282 HydrophobicContact CB-CE1 3.99Å; L36-F282 HydrophobicContact CD1-CD1 3.77Å; L36-F282 HydrophobicContact CD1-CE1 4.06Å; F39-F282 HydrophobicContact CB-CD2 4.08Å; F39-F282 HydrophobicContact CB-CE2 3.51Å; F39-F282 HydrophobicContact CB-CZ 3.9Å; F39-F282 AromaticContact CD1-CD2 3.87Å; F39-F282 HydrophobicContact CD1-CD2 3.87Å; F39-F282 HydrophobicContact CD1-CE2 4.2Å; F39-F282 HydrophobicContact CD1-CG 4.39Å; F39-F282 AromaticContact CD2-CD2 3.87Å; F39-F282 HydrophobicContact CD2-CD2 3.87Å; F39-F282 AromaticContact CD2-CE2 3.79Å; F39-F282 HydrophobicContact CD2-CE2 3.79Å; F39-F282 HydrophobicContact CE1-CD2 4.28Å; F39-F282 HydrophobicContact CE2-CD2 4.28Å; F39-F282 AromaticContact CG-CD2 3.65Å; F39-F282 HydrophobicContact CG-CD2 3.65Å; F39-F282 AromaticContact CG-CE2 3.56Å; F39-F282 HydrophobicContact CG-CE2 3.56Å; F39-F282 HydrophobicContact CG-CZ 4.38Å; F39-F282 HydrophobicContact CZ-CD2 4.48Å; F249-F282 AromaticContact CD1-CD2 3.81Å; F249-F282 HydrophobicContact CD1-CD2 3.81Å; F249-F282 HydrophobicContact CE1-CB 3.88Å; F249-F282 AromaticContact CE1-CD2 3.91Å; F249-F282 HydrophobicContact CE1-CD2 3.91Å; F249-F282 HydrophobicContact CE1-CG 4.34Å; F249-F282 HydrophobicContact CG-CD2 4.17Å; F249-F282 VanDerWaalsContact CZ-CA 3.48Å; F249-F282 HydrophobicContact CZ-CB 4.23Å; F249-F282 HydrophobicContact CZ-CD2 4.34Å; T278-F282 WeakPolarHBondContact O-CB 3.39Å; T278-F282 PolarHBondContact O-N 2.8Å; L279-F282 WeakPolarHBondContact O-CB 3.24Å; L279-F282 PolarHBondContact O-N 3.32Å; L280-F282 VanDerWaalsContact C-N 3.32Å; L280-F282 PolarHBondContact O-N 3.37Å; F282-F284 VanDerWaalsContact C-N 3.29Å; F282-F284 PolarHBondContact O-N 2.8Å; F282-V286 HydrophobicContact CD1-CB 4.37Å; F282-V286 HydrophobicContact CD1-CG2 4.2Å; F282-V286 HydrophobicContact CD2-CG2 3.73Å; F282-V286 HydrophobicContact CE1-CB 4.2Å; F282-V286 HydrophobicContact CE1-CG1 4.44Å; F282-V286 HydrophobicContact CE1-CG2 4.16Å; F282-V286 HydrophobicContact CE2-CG2 3.69Å; F282-V286 HydrophobicContact CG-CG2 3.99Å; F282-V286 HydrophobicContact CZ-CB 4.29Å; F282-V286 HydrophobicContact CZ-CG1 4.29Å; F282-V286 HydrophobicContact CZ-CG2 3.92Å; F282-V286 VanDerWaalsContact O-CB 3.31Å; F282-V286 WeakPolarHBondContact O-CB 3.3Å; F282-V286 WeakPolarHBondContact O-CG2 3.24Å; F282-V286 PolarHBondContact O-N 3.46Å |
| 283 | F | 94.4 | Very high | 93.4 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 23% | 0.228 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -54.9 | -44 | 172.5 | -85.2 | -70.6 | 0 | 0 | 0 | 112 | Y29 L32 L36 L279 L280 G287 | Y29-F283 AromaticContact CD1-CE1 3.81Å; Y29-F283 HydrophobicContact CD1-CE1 3.81Å; Y29-F283 HydrophobicContact CD1-CZ 4.28Å; Y29-F283 HydrophobicContact CE1-CE1 4.1Å; Y29-F283 HydrophobicContact CE1-CZ 4.5Å; L32-F283 HydrophobicContact CD1-CD1 3.69Å; L32-F283 HydrophobicContact CD1-CE1 4.23Å; L36-F283 HydrophobicContact CD1-CE2 4.31Å; L36-F283 HydrophobicContact CD2-CE1 4.31Å; L36-F283 HydrophobicContact CD2-CE2 3.98Å; L36-F283 HydrophobicContact CD2-CZ 3.53Å; L279-F283 VanDerWaalsContact O-CD2 3.24Å; L279-F283 WeakPolarHBondContact O-CD2 3.42Å; L279-F283 PolarHBondContact O-N 2.84Å; L280-F283 PolarHBondContact O-N 2.82Å; F283-G287 VanDerWaalsContact O-CA 3.27Å; F283-G287 WeakPolarHBondContact O-CA 3.31Å; F283-G287 PolarHBondContact O-N 3.44Å; F283-G287 VanDerWaalsContact O-N 3.12Å |
| 284 | F | 93.3 | Very high | 93.9 | Very high | 112 Ų | 112 | 48.9 Ų | 48.9 | 49% | 0.491 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.7 | -61.1 | 179.3 | -178.2 | -108.4 | 0 | 0 | 0 | 112.7 | L280 Q281 F282 W288 | L280-F284 PolarHBondContact O-N 3.4Å; Q281-F284 PolarHBondContact O-N 3.44Å; F282-F284 VanDerWaalsContact C-N 3.29Å; F282-F284 PolarHBondContact O-N 2.8Å; F284-W288 HydrophobicContact CE1-CE3 4Å; F284-W288 HydrophobicContact CE1-CZ3 4.16Å; F284-W288 AromaticContact CZ-CE3 3.83Å; F284-W288 HydrophobicContact CZ-CE3 3.83Å; F284-W288 AromaticContact CZ-CZ3 3.95Å; F284-W288 HydrophobicContact CZ-CZ3 3.95Å; F284-W288 WeakPolarHBondContact O-CB 3.28Å; F284-W288 PolarHBondContact O-N 2.87Å |
| 285 | Y | 94.5 | Very high | 94.3 | Very high | 44 Ų | 44 | 45.9 Ų | 45.9 | 17% | 0.173 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -76.3 | -42.7 | -171.6 | -70.3 | -66.9 | 0 | 0 | 0 | 113.5 | V79 S80 L83 F248 F249 Q281 L289 | V79-Y285 HydrophobicContact CB-CD1 4.17Å; V79-Y285 HydrophobicContact CB-CE1 4.03Å; V79-Y285 HydrophobicContact CG1-CD1 3.71Å; V79-Y285 HydrophobicContact CG1-CE1 4.08Å; V79-Y285 HydrophobicContact CG1-CG 4.35Å; S80-Y285 WeakPolarHBondContact OG-CE1 3.46Å; S80-Y285 PolarHBondContact OG-OH 2.99Å; L83-Y285 HydrophobicContact CD2-CD1 4.31Å; L83-Y285 WeakPolarHBondContact CD2-O 3.43Å; F248-Y285 AromaticContact CE1-CD2 3.89Å; F248-Y285 HydrophobicContact CE1-CD2 3.89Å; F248-Y285 HydrophobicContact CE1-CE2 4.1Å; F248-Y285 HydrophobicContact CZ-CD2 4.37Å; F248-Y285 HydrophobicContact CZ-CE2 4.11Å; F249-Y285 HydrophobicContact CZ-CD2 4.15Å; F249-Y285 HydrophobicContact CZ-CG 4.47Å; Q281-Y285 HydrophobicContact CB-CD2 4.47Å; Q281-Y285 WeakPolarHBondContact O-CD2 3.35Å; Q281-Y285 PolarHBondContact O-N 2.97Å; Y285-L289 PolarHBondContact O-N 3.36Å |
| 286 | V | 95.5 | Very high | 94.6 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.024 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -73.7 | -35.1 | 178.1 | -166.1 | 0 | 0 | 0 | 0 | 110 | L32 V245 F249 F282 L289 K290 | L32-V286 HydrophobicContact CD2-CB 3.87Å; L32-V286 HydrophobicContact CD2-CG1 3.56Å; V245-V286 HydrophobicContact CG1-CG2 4.31Å; F249-V286 HydrophobicContact CD2-CG2 3.62Å; F249-V286 HydrophobicContact CE2-CG2 3.34Å; F249-V286 HydrophobicContact CG-CG2 4.46Å; F249-V286 HydrophobicContact CZ-CG2 3.99Å; F282-V286 HydrophobicContact CD1-CB 4.37Å; F282-V286 HydrophobicContact CD1-CG2 4.2Å; F282-V286 HydrophobicContact CD2-CG2 3.73Å; F282-V286 HydrophobicContact CE1-CB 4.2Å; F282-V286 HydrophobicContact CE1-CG1 4.44Å; F282-V286 HydrophobicContact CE1-CG2 4.16Å; F282-V286 HydrophobicContact CE2-CG2 3.69Å; F282-V286 HydrophobicContact CG-CG2 3.99Å; F282-V286 HydrophobicContact CZ-CB 4.29Å; F282-V286 HydrophobicContact CZ-CG1 4.29Å; F282-V286 HydrophobicContact CZ-CG2 3.92Å; F282-V286 VanDerWaalsContact O-CB 3.31Å; F282-V286 WeakPolarHBondContact O-CB 3.3Å; F282-V286 WeakPolarHBondContact O-CG2 3.24Å; F282-V286 PolarHBondContact O-N 3.46Å; V286-L289 CarbonylContact O-C 3.53Å; V286-L289 WeakPolarHBondContact O-CB 3.48Å; V286-L289 PolarHBondContact O-N 3.45Å; V286-K290 WeakPolarHBondContact O-CG 3.46Å; V286-K290 PolarHBondContact O-N 2.93Å |
| 287 | G | 95.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -41.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | F283 L289 K290 V291 | F283-G287 VanDerWaalsContact O-CA 3.27Å; F283-G287 WeakPolarHBondContact O-CA 3.31Å; F283-G287 PolarHBondContact O-N 3.44Å; F283-G287 VanDerWaalsContact O-N 3.12Å; G287-L289 VanDerWaalsContact C-N 3.31Å; G287-L289 PolarHBondContact O-N 2.91Å; G287-K290 WeakPolarHBondContact O-CB 3.42Å; G287-K290 PolarHBondContact O-N 3.5Å; G287-K290 VanDerWaalsContact O-N 3.12Å; G287-V291 PolarHBondContact O-N 2.99Å |
| 288 | W | 95.4 | Very high | 94.9 | Very high | 76 Ų | 76 | 40.4 Ų | 40.4 | 29% | 0.288 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.9 | -30.7 | 175.2 | -168 | 18.6 | 0 | 0 | 0 | 112.1 | L83 V87 F284 | L83-W288 HydrophobicContact CB-CE3 4.42Å; L83-W288 HydrophobicContact CD2-CB 3.88Å; L83-W288 HydrophobicContact CD2-CD2 3.86Å; L83-W288 HydrophobicContact CD2-CE3 3.67Å; L83-W288 HydrophobicContact CD2-CG 3.97Å; L83-W288 HydrophobicContact CD2-CZ3 4.48Å; L83-W288 HydrophobicContact CG-CB 4.48Å; L83-W288 HydrophobicContact CG-CD2 3.9Å; L83-W288 HydrophobicContact CG-CE3 3.99Å; L83-W288 HydrophobicContact CG-CG 4.11Å; V87-W288 HydrophobicContact CG2-CG 4.37Å; V87-W288 WeakPolarHBondContact CG2-O 3.26Å; F284-W288 HydrophobicContact CE1-CE3 4Å; F284-W288 HydrophobicContact CE1-CZ3 4.16Å; F284-W288 AromaticContact CZ-CE3 3.83Å; F284-W288 HydrophobicContact CZ-CE3 3.83Å; F284-W288 AromaticContact CZ-CZ3 3.95Å; F284-W288 HydrophobicContact CZ-CZ3 3.95Å; F284-W288 WeakPolarHBondContact O-CB 3.28Å; F284-W288 PolarHBondContact O-N 2.87Å |
| 289 | L | 96.2 | Very high | 95 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.4 | -40.8 | 166.6 | -175.9 | 64.4 | 0 | 0 | 0 | 112.3 | L83 Y86 V245 Y246 Y285 V286 G287 V291 A292 E293 | L83-L289 HydrophobicContact CD1-CB 4.1Å; L83-L289 HydrophobicContact CD1-CD1 3.94Å; Y86-L289 HydrophobicContact CE1-CD1 4.38Å; V245-L289 HydrophobicContact CB-CD2 4.08Å; V245-L289 HydrophobicContact CG1-CD2 4.03Å; V245-L289 HydrophobicContact CG2-CD2 4.23Å; Y246-L289 HydrophobicContact CE1-CD2 4.02Å; Y285-L289 PolarHBondContact O-N 3.36Å; V286-L289 CarbonylContact O-C 3.53Å; V286-L289 WeakPolarHBondContact O-CB 3.48Å; V286-L289 PolarHBondContact O-N 3.45Å; G287-L289 VanDerWaalsContact C-N 3.31Å; G287-L289 PolarHBondContact O-N 2.91Å; L289-V291 VanDerWaalsContact C-N 3.29Å; L289-V291 PolarHBondContact O-N 3.38Å; L289-A292 CarbonylContact O-C 3.56Å; L289-A292 WeakPolarHBondContact O-CA 3.19Å; L289-A292 WeakPolarHBondContact O-CB 3.48Å; L289-A292 PolarHBondContact O-N 3.4Å; L289-E293 PolarHBondContact O-N 3.31Å |
| 290 | K | 95.6 | Very high | 95 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 5% | 0.048 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.7 | -31.9 | 175 | -74.2 | -56.7 | -169.8 | -170.8 | 0 | 113.3 | L31 L32 E35 V286 G287 A292 E293 Q294 | L31-K290 HydrophobicContact CB-CB 4.16Å; L31-K290 HydrophobicContact CB-CG 4.21Å; L31-K290 HydrophobicContact CD1-CB 4.5Å; L31-K290 VanDerWaalsContact O-CE 3.26Å; L31-K290 WeakPolarHBondContact O-CE 3.36Å; L32-K290 HydrophobicContact CD2-CG 3.57Å; L32-K290 HydrophobicContact CG-CG 4.34Å; E35-K290 WeakPolarHBondContact OE1-CE 3.4Å; E35-K290 IonicContact OE1-NZ 2.7Å; E35-K290 PolarHBondContact OE1-NZ 3.22Å; V286-K290 WeakPolarHBondContact O-CG 3.46Å; V286-K290 PolarHBondContact O-N 2.93Å; G287-K290 WeakPolarHBondContact O-CB 3.42Å; G287-K290 PolarHBondContact O-N 3.5Å; G287-K290 VanDerWaalsContact O-N 3.12Å; K290-A292 VanDerWaalsContact C-N 3.27Å; K290-A292 PolarHBondContact O-N 3.24Å; K290-E293 HydrophobicContact CD-CB 4.21Å; K290-E293 WeakPolarHBondContact CD-OE2 3.34Å; K290-E293 IonicContact NZ-OE1 2.7Å; K290-E293 PolarHBondContact NZ-OE1 2.98Å; K290-E293 IonicContact NZ-OE2 3.13Å; K290-E293 PolarHBondContact NZ-OE2 3.18Å; K290-E293 PolarHBondContact O-N 2.89Å; K290-Q294 WeakPolarHBondContact O-CB 3.46Å; K290-Q294 PolarHBondContact O-N 2.88Å |
| 291 | V | 95.6 | Very high | 94.9 | Very high | 58 Ų | 58 | 40.1 Ų | 40.1 | 35% | 0.352 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.6 | -39.3 | 170.4 | 172.8 | 0 | 0 | 0 | 0 | 111 | V87 G287 L289 L295 | V87-V291 HydrophobicContact CG1-CG1 4.12Å; G287-V291 PolarHBondContact O-N 2.99Å; L289-V291 VanDerWaalsContact C-N 3.29Å; L289-V291 PolarHBondContact O-N 3.38Å; V291-L295 HydrophobicContact CG1-CD1 3.82Å; V291-L295 VanDerWaalsContact O-CB 3.3Å; V291-L295 WeakPolarHBondContact O-CB 3.45Å; V291-L295 WeakPolarHBondContact O-CG 3.25Å; V291-L295 PolarHBondContact O-N 3.22Å |
| 292 | A | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -74.6 | -36.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y86 V87 V90 L289 K290 I296 | Y86-A292 HydrophobicContact CD1-CB 3.83Å; Y86-A292 HydrophobicContact CE1-CB 3.48Å; Y86-A292 VanDerWaalsContact CE1-CB 3.48Å; V87-A292 HydrophobicContact CG2-CB 3.82Å; V90-A292 HydrophobicContact CB-CB 4.39Å; V90-A292 HydrophobicContact CG2-CB 4.04Å; L289-A292 CarbonylContact O-C 3.56Å; L289-A292 WeakPolarHBondContact O-CA 3.19Å; L289-A292 WeakPolarHBondContact O-CB 3.48Å; L289-A292 PolarHBondContact O-N 3.4Å; K290-A292 VanDerWaalsContact C-N 3.27Å; K290-A292 PolarHBondContact O-N 3.24Å; A292-I296 WeakPolarHBondContact O-CB 3.4Å; A292-I296 PolarHBondContact O-N 2.8Å; A292-I296 VanDerWaalsContact O-N 3.16Å |
| 293 | E | 95 | Very high | 94.8 | Very high | 99 Ų | 99 | 41.8 Ų | 41.8 | 46% | 0.463 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 178.1 | -163.8 | -177.8 | 115.9 | 0 | 0 | 111.8 | L289 K290 I296 | L289-E293 PolarHBondContact O-N 3.31Å; K290-E293 HydrophobicContact CD-CB 4.21Å; K290-E293 WeakPolarHBondContact CD-OE2 3.34Å; K290-E293 IonicContact NZ-OE1 2.7Å; K290-E293 PolarHBondContact NZ-OE1 2.98Å; K290-E293 IonicContact NZ-OE2 3.13Å; K290-E293 PolarHBondContact NZ-OE2 3.18Å; K290-E293 PolarHBondContact O-N 2.89Å; E293-I296 VanDerWaalsContact O-CG2 3.26Å; E293-I296 WeakPolarHBondContact O-CG2 3.24Å |
| 294 | Q | 94.8 | Very high | 94.7 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 9% | 0.089 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.3 | -48.1 | 177.5 | -169.5 | -179.6 | 23.7 | 0 | 0 | 111.8 | K290 I296 D302 | K290-Q294 WeakPolarHBondContact O-CB 3.46Å; K290-Q294 PolarHBondContact O-N 2.88Å; Q294-I296 VanDerWaalsContact C-N 3.27Å; Q294-I296 PolarHBondContact O-N 3.08Å; Q294-D302 HydrophobicContact CG-CB 4.17Å |
| 295 | L | 95.4 | Very high | 94.8 | Very high | 14 Ų | 14 | 35 Ų | 35 | 7% | 0.073 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -79.4 | -2.4 | -172.8 | -59.8 | 177.3 | 0 | 0 | 0 | 114.3 | V90 V91 W94 V291 | V90-L295 VanDerWaalsContact CG1-C 3.5Å; V90-L295 HydrophobicContact CG1-CB 3.69Å; V91-L295 HydrophobicContact CG2-CD1 3.93Å; W94-L295 HydrophobicContact CB-CB 4.31Å; W94-L295 HydrophobicContact CD2-CD2 4.24Å; W94-L295 HydrophobicContact CG-CB 4.23Å; W94-L295 HydrophobicContact CG-CD2 4.09Å; V291-L295 HydrophobicContact CG1-CD1 3.82Å; V291-L295 VanDerWaalsContact O-CB 3.3Å; V291-L295 WeakPolarHBondContact O-CB 3.45Å; V291-L295 WeakPolarHBondContact O-CG 3.25Å; V291-L295 PolarHBondContact O-N 3.22Å |
| 296 | I | 95.7 | Very high | 94.9 | Very high | 63 Ų | 63 | 33.8 Ų | 33.8 | 32% | 0.323 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -33.9 | 179.4 | -158.1 | 171.4 | 0 | 0 | 0 | 112.7 | L233 A292 E293 Q294 | L233-I296 HydrophobicContact CD1-CD1 4.47Å; L233-I296 HydrophobicContact CD1-CG1 4.48Å; A292-I296 WeakPolarHBondContact O-CB 3.4Å; A292-I296 PolarHBondContact O-N 2.8Å; A292-I296 VanDerWaalsContact O-N 3.16Å; E293-I296 VanDerWaalsContact O-CG2 3.26Å; E293-I296 WeakPolarHBondContact O-CG2 3.24Å; Q294-I296 VanDerWaalsContact C-N 3.27Å; Q294-I296 PolarHBondContact O-N 3.08Å |
| 297 | N | 95.3 | Very high | 94.8 | Very high | 70 Ų | 70 | 38.4 Ų | 38.4 | 37% | 0.374 | 19% | 0.193 | S | C | . | . | trans | -136.8 | 83.5 | 176.3 | -178.1 | 7.5 | 0 | 0 | 0 | 111 | F299 G300 | N297-F299 PolarHBondContact O-N 3.35Å; N297-F299 PolarHBondContact OD1-N 3.45Å; N297-G300 PolarHBondContact O-N 3.12Å | ||
| 298 | P | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 14.6 | -177.7 | 34.1 | -38.4 | 0 | 0 | 0 | 114.8 | W94 D305 F306 | W94-P298 VanDerWaalsContact CD1-CB 3.46Å; P298-D305 WeakPolarHBondContact CA-OD1 3.38Å; P298-F306 HydrophobicContact CB-CD2 3.82Å; P298-F306 HydrophobicContact CB-CE1 4.44Å; P298-F306 HydrophobicContact CB-CE2 3.49Å; P298-F306 VanDerWaalsContact CB-CE2 3.49Å; P298-F306 HydrophobicContact CB-CG 4.44Å; P298-F306 HydrophobicContact CB-CZ 3.81Å; P298-F306 HydrophobicContact CG-CD2 4.02Å; P298-F306 HydrophobicContact CG-CE2 3.38Å; P298-F306 HydrophobicContact CG-CZ 3.93Å; P298-F306 VanDerWaalsContact O-CD2 3.3Å; P298-F306 WeakPolarHBondContact O-CD2 3.36Å; P298-F306 PolarHBondContact O-N 3.24Å |
| 299 | F | 95.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 1% | 0.013 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 11.4 | 176.3 | -65.8 | -63.8 | 0 | 0 | 0 | 112.4 | Q97 V144 S145 T146 L225 N297 F306 T308 | Q97-F299 HydrophobicContact CB-CE2 4.08Å; Q97-F299 HydrophobicContact CB-CZ 4.33Å; Q97-F299 HydrophobicContact CG-CE2 4.25Å; V144-F299 HydrophobicContact CG2-CD1 4.42Å; V144-F299 HydrophobicContact CG2-CD2 4.12Å; V144-F299 HydrophobicContact CG2-CE2 4.38Å; V144-F299 HydrophobicContact CG2-CG 4.16Å; V144-F299 VanDerWaalsContact O-CB 3.29Å; V144-F299 WeakPolarHBondContact O-CB 3.5Å; S145-F299 WeakPolarHBondContact CA-O 3.27Å; S145-F299 WeakPolarHBondContact CB-O 3.36Å; S145-F299 PolarHBondContact OG-O 3.07Å; T146-F299 PolarHBondContact N-O 3.49Å; L225-F299 HydrophobicContact CD2-CE2 4.18Å; L225-F299 HydrophobicContact CD2-CZ 3.79Å; N297-F299 PolarHBondContact O-N 3.35Å; N297-F299 PolarHBondContact OD1-N 3.45Å; F299-F306 AromaticContact CD1-CD2 3.95Å; F299-F306 HydrophobicContact CD1-CD2 3.95Å; F299-F306 AromaticContact CE1-CD2 3.62Å; F299-F306 HydrophobicContact CE1-CD2 3.62Å; F299-F306 HydrophobicContact CE1-CE2 4.26Å; F299-F306 HydrophobicContact CZ-CD2 4.03Å; F299-F306 HydrophobicContact CZ-CE2 4.2Å; F299-T308 HydrophobicContact CD1-CG2 3.66Å; F299-T308 HydrophobicContact CE1-CG2 4.07Å |
| 300 | G | 92.9 | Very high | 94.8 | Very high | 14 Ų | 14 | 43.5 Ų | 43.5 | 14% | 0.144 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -75.1 | -133.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T146 N297 D305 | T146-G300 WeakPolarHBondContact OG1-CA 3.4Å; N297-G300 PolarHBondContact O-N 3.12Å; G300-D305 WeakPolarHBondContact CA-OD2 3.16Å; G300-D305 PolarHBondContact N-OD2 3.46Å |
| 301 | E | 93.4 | Very high | 94.8 | Very high | 115 Ų | 115 | 43.4 Ų | 43.4 | 54% | 0.537 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -141.1 | 14.8 | -177.3 | -65.1 | 172.8 | 111.6 | 0 | 0 | 112 | A147 K150 D305 | A147-E301 HydrophobicContact CB-CG 4.15Å; K150-E301 WeakPolarHBondContact CD-OE1 3.46Å; K150-E301 WeakPolarHBondContact CE-OE1 3.15Å; K150-E301 WeakPolarHBondContact CE-OE2 3.49Å; K150-E301 IonicContact NZ-OE1 3.39Å; K150-E301 PolarHBondContact NZ-OE1 3.35Å; K150-E301 IonicContact NZ-OE2 3.15Å; K150-E301 PolarHBondContact NZ-OE2 3.37Å; E301-D305 PolarHBondContact N-OD2 2.8Å |
| 302 | D | 93.4 | Very high | 94.8 | Very high | 84 Ų | 84 | 40.9 Ų | 40.9 | 45% | 0.449 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -72.8 | 158.9 | 177.2 | -93.6 | -33.6 | 0 | 0 | 0 | 111.6 | Q294 D304 D305 | Q294-D302 HydrophobicContact CG-CB 4.17Å; D302-D304 PolarHBondContact O-N 3.48Å; D302-D305 PolarHBondContact N-OD2 3.08Å; D302-D305 WeakPolarHBondContact O-CB 3.42Å; D302-D305 PolarHBondContact O-N 2.85Å |
| 303 | D | 92.1 | Very high | 94.9 | Very high | 29 Ų | 29 | 44 Ų | 44 | 16% | 0.155 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -27.6 | -171.2 | -94.4 | -8.3 | 0 | 0 | 0 | 115.8 | T2 V3 K25 G26 K30 | T2-D303 PolarHBondContact OG1-O 3.27Å; V3-D303 HydrophobicContact CG2-CB 4.09Å; V3-D303 WeakPolarHBondContact CG2-O 3.26Å; K25-D303 WeakPolarHBondContact CA-OD2 3.47Å; K25-D303 VanDerWaalsContact CE-CG 3.49Å; K25-D303 WeakPolarHBondContact CE-O 3.43Å; K25-D303 VanDerWaalsContact CE-OD1 3.23Å; K25-D303 WeakPolarHBondContact CE-OD1 3.49Å; K25-D303 HydrophobicContact CG-CB 3.97Å; K25-D303 WeakPolarHBondContact CG-OD2 3.47Å; K25-D303 PolarHBondContact NZ-O 3.34Å; G26-D303 PolarHBondContact N-OD2 2.96Å; K30-D303 WeakPolarHBondContact CD-OD2 3.43Å; K30-D303 WeakPolarHBondContact CE-OD2 3.3Å; K30-D303 IonicContact NZ-OD1 3.03Å; K30-D303 PolarHBondContact NZ-OD1 3.34Å; K30-D303 IonicContact NZ-OD2 2.67Å; K30-D303 PolarHBondContact NZ-OD2 3.39Å |
| 304 | D | 92.8 | Very high | 95 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 7% | 0.07 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 1.7 | -171.9 | -112.7 | -41.9 | 0 | 0 | 0 | 114.5 | M1 T2 V3 D302 | M1-D304 VanDerWaalsContact C-OD1 3.26Å; M1-D304 WeakPolarHBondContact CA-O 3.4Å; M1-D304 WeakPolarHBondContact CA-OD1 3.33Å; M1-D304 PolarHBondContact N-O 2.96Å; T2-D304 PolarHBondContact N-O 3.44Å; T2-D304 PolarHBondContact N-OD1 2.85Å; T2-D304 WeakPolarHBondContact OG1-CA 3.28Å; V3-D304 VanDerWaalsContact CB-OD1 3.32Å; V3-D304 WeakPolarHBondContact CB-OD1 3.49Å; V3-D304 WeakPolarHBondContact CB-OD2 3.41Å; V3-D304 HydrophobicContact CG2-CB 4.22Å; V3-D304 VanDerWaalsContact CG2-CG 3.45Å; V3-D304 WeakPolarHBondContact CG2-OD2 3.33Å; V3-D304 PolarHBondContact N-OD1 3.38Å; D302-D304 PolarHBondContact O-N 3.48Å |
| 305 | D | 95.1 | Very high | 95.1 | Very high | 9 Ų | 9 | 41.2 Ų | 41.2 | 5% | 0.048 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -61.6 | 162.3 | 172.4 | -74.6 | -11.5 | 0 | 0 | 0 | 110.8 | T2 P298 G300 E301 D302 | T2-D305 WeakPolarHBondContact CB-O 3.34Å; T2-D305 WeakPolarHBondContact CG2-O 3.36Å; T2-D305 PolarHBondContact OG1-O 3.08Å; P298-D305 WeakPolarHBondContact CA-OD1 3.38Å; G300-D305 WeakPolarHBondContact CA-OD2 3.16Å; G300-D305 PolarHBondContact N-OD2 3.46Å; E301-D305 PolarHBondContact N-OD2 2.8Å; D302-D305 PolarHBondContact N-OD2 3.08Å; D302-D305 WeakPolarHBondContact O-CB 3.42Å; D302-D305 PolarHBondContact O-N 2.85Å |
| 306 | F | 95.3 | Very high | 95.1 | Very high | 18 Ų | 18 | 42.5 Ų | 42.5 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | trans | -70 | 132.5 | -176.6 | -54.4 | -47.4 | 0 | 0 | 0 | 111.6 | W94 Q97 F98 I101 P298 F299 T308 | W94-F306 AromaticContact CE2-CE1 3.99Å; W94-F306 AromaticContact CE2-CZ 4Å; W94-F306 HydrophobicContact CZ2-CE1 4.03Å; W94-F306 HydrophobicContact CZ2-CZ 4.46Å; W94-F306 AromaticContact NE1-CE1 3.74Å; W94-F306 AromaticContact NE1-CZ 3.57Å; Q97-F306 HydrophobicContact CB-CE2 4.42Å; F98-F306 HydrophobicContact CB-CE1 4.05Å; F98-F306 HydrophobicContact CB-CE2 4.41Å; F98-F306 HydrophobicContact CB-CZ 3.67Å; F98-F306 HydrophobicContact CD2-CD1 4.15Å; F98-F306 AromaticContact CD2-CE1 3.72Å; F98-F306 HydrophobicContact CD2-CE1 3.72Å; F98-F306 HydrophobicContact CD2-CZ 4.14Å; F98-F306 HydrophobicContact CG-CE1 4.27Å; F98-F306 HydrophobicContact CG-CZ 4.36Å; I101-F306 HydrophobicContact CD1-CD2 4.27Å; I101-F306 HydrophobicContact CD1-CG 4.39Å; P298-F306 HydrophobicContact CB-CD2 3.82Å; P298-F306 HydrophobicContact CB-CE1 4.44Å; P298-F306 HydrophobicContact CB-CE2 3.49Å; P298-F306 VanDerWaalsContact CB-CE2 3.49Å; P298-F306 HydrophobicContact CB-CG 4.44Å; P298-F306 HydrophobicContact CB-CZ 3.81Å; P298-F306 HydrophobicContact CG-CD2 4.02Å; P298-F306 HydrophobicContact CG-CE2 3.38Å; P298-F306 HydrophobicContact CG-CZ 3.93Å; P298-F306 VanDerWaalsContact O-CD2 3.3Å; P298-F306 WeakPolarHBondContact O-CD2 3.36Å; P298-F306 PolarHBondContact O-N 3.24Å; F299-F306 AromaticContact CD1-CD2 3.95Å; F299-F306 HydrophobicContact CD1-CD2 3.95Å; F299-F306 AromaticContact CE1-CD2 3.62Å; F299-F306 HydrophobicContact CE1-CD2 3.62Å; F299-F306 HydrophobicContact CE1-CE2 4.26Å; F299-F306 HydrophobicContact CZ-CD2 4.03Å; F299-F306 HydrophobicContact CZ-CE2 4.2Å; F306-T308 HydrophobicContact CB-CG2 4.37Å; F306-T308 PolarHBondContact O-N 3.31Å | ||
| 307 | E | 94.5 | Very high | 95.2 | Very high | 102 Ų | 102 | 46.1 Ų | 46.1 | 48% | 0.477 | 22% | 0.223 | S | C | . | . | trans | -70.1 | 68.1 | 173.2 | -65.3 | -51.7 | 159.8 | 0 | 0 | 111 | T2 N309 W310 L311 | T2-E307 HydrophobicContact CG2-CB 4.24Å; T2-E307 HydrophobicContact CG2-CG 3.6Å; E307-N309 VanDerWaalsContact C-N 3.27Å; E307-N309 PolarHBondContact O-N 2.95Å; E307-W310 HydrophobicContact CB-CB 3.88Å; E307-W310 PolarHBondContact O-N 3.23Å; E307-L311 PolarHBondContact O-N 3.2Å | ||
| 308 | T | 94.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.8 | -35.3 | -179.3 | 45.5 | 0 | 0 | 0 | 0 | 112.3 | Y141 S145 V148 F299 F306 L311 V312 | Y141-T308 HydrophobicContact CD1-CG2 4.5Å; S145-T308 PolarHBondContact OG-OG1 2.89Å; S145-T308 VanDerWaalsContact OG-OG1 3.07Å; V148-T308 VanDerWaalsContact CG2-OG1 3.28Å; V148-T308 WeakPolarHBondContact CG2-OG1 3.37Å; F299-T308 HydrophobicContact CD1-CG2 3.66Å; F299-T308 HydrophobicContact CE1-CG2 4.07Å; F306-T308 HydrophobicContact CB-CG2 4.37Å; F306-T308 PolarHBondContact O-N 3.31Å; T308-L311 PolarHBondContact O-N 3.42Å; T308-V312 WeakPolarHBondContact O-CG2 3.45Å; T308-V312 PolarHBondContact O-N 3.09Å |
| 309 | N | 95.9 | Very high | 95.3 | Very high | 40 Ų | 40 | 45.2 Ų | 45.2 | 21% | 0.214 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.5 | -49.5 | 175.5 | -82 | -48.1 | 0 | 0 | 0 | 112.3 | A147 R151 E307 L311 V312 D313 | A147-N309 PolarHBondContact O-ND2 3.26Å; R151-N309 WeakPolarHBondContact CD-OD1 3.39Å; R151-N309 PolarHBondContact NH1-O 2.96Å; E307-N309 VanDerWaalsContact C-N 3.27Å; E307-N309 PolarHBondContact O-N 2.95Å; N309-L311 VanDerWaalsContact C-N 3.25Å; N309-L311 PolarHBondContact O-N 2.97Å; N309-V312 PolarHBondContact O-N 3.23Å; N309-D313 PolarHBondContact O-N 3.44Å; N309-D313 VanDerWaalsContact O-OD2 3.09Å |
| 310 | W | 96 | Very high | 95.3 | Very high | 149 Ų | 149 | 46.3 Ų | 46.3 | 56% | 0.564 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -58.1 | -40.6 | 173.7 | 169.6 | 82.9 | 0 | 0 | 0 | 111.5 | W103 E307 V312 D313 R314 | W103-W310 HydrophobicContact CH2-CZ3 4.45Å; E307-W310 HydrophobicContact CB-CB 3.88Å; E307-W310 PolarHBondContact O-N 3.23Å; W310-V312 VanDerWaalsContact C-N 3.33Å; W310-V312 PolarHBondContact O-N 3.49Å; W310-D313 PolarHBondContact O-N 3.02Å; W310-R314 HydrophobicContact CD2-CB 4.37Å; W310-R314 HydrophobicContact CH2-CB 4.4Å; W310-R314 HydrophobicContact CH2-CG 4.04Å; W310-R314 HydrophobicContact CZ2-CB 4.08Å; W310-R314 HydrophobicContact CZ2-CG 3.86Å; W310-R314 VanDerWaalsContact O-CB 3.27Å; W310-R314 WeakPolarHBondContact O-CB 3.37Å; W310-R314 PolarHBondContact O-N 3.42Å |
| 311 | L | 95.7 | Very high | 95.5 | Very high | 9 Ų | 9 | 48.8 Ų | 48.8 | 5% | 0.047 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.5 | -37.2 | -180 | -177.7 | 63.1 | 0 | 0 | 0 | 112.4 | I101 W103 Y141 E307 T308 N309 N315 | I101-L311 HydrophobicContact CG2-CD2 3.27Å; W103-L311 HydrophobicContact CD2-CD1 4.36Å; W103-L311 HydrophobicContact CE3-CD1 3.96Å; W103-L311 HydrophobicContact CH2-CD1 3.47Å; W103-L311 VanDerWaalsContact CH2-CD1 3.47Å; W103-L311 HydrophobicContact CZ2-CD1 3.9Å; W103-L311 HydrophobicContact CZ3-CD1 3.51Å; Y141-L311 HydrophobicContact CE1-CD2 4.44Å; Y141-L311 HydrophobicContact CE2-CD2 4.48Å; Y141-L311 VanDerWaalsContact OH-CD2 3.27Å; Y141-L311 WeakPolarHBondContact OH-CD2 3.38Å; E307-L311 PolarHBondContact O-N 3.2Å; T308-L311 PolarHBondContact O-N 3.42Å; N309-L311 VanDerWaalsContact C-N 3.25Å; N309-L311 PolarHBondContact O-N 2.97Å; L311-N315 WeakPolarHBondContact CD1-ND2 3.42Å; L311-N315 WeakPolarHBondContact O-CB 3.43Å; L311-N315 PolarHBondContact O-N 3.23Å; L311-N315 PolarHBondContact O-ND2 3.32Å |
| 312 | V | 96.1 | Very high | 95.5 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 4% | 0.036 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.3 | -48.9 | 172.8 | 166.3 | 0 | 0 | 0 | 0 | 110.8 | V138 Y141 T308 N309 W310 N315 L316 | V138-V312 HydrophobicContact CG2-CB 4.38Å; V138-V312 HydrophobicContact CG2-CG1 3.6Å; V138-V312 HydrophobicContact CG2-CG2 3.87Å; Y141-V312 HydrophobicContact CD2-CG2 3.71Å; Y141-V312 HydrophobicContact CE2-CG2 4.24Å; T308-V312 WeakPolarHBondContact O-CG2 3.45Å; T308-V312 PolarHBondContact O-N 3.09Å; N309-V312 PolarHBondContact O-N 3.23Å; W310-V312 VanDerWaalsContact C-N 3.33Å; W310-V312 PolarHBondContact O-N 3.49Å; V312-N315 PolarHBondContact O-N 2.72Å; V312-L316 WeakPolarHBondContact O-CB 3.47Å; V312-L316 PolarHBondContact O-N 3.26Å |
| 313 | D | 97 | Very high | 95.6 | Very high | 65 Ų | 65 | 40.9 Ų | 40.9 | 35% | 0.348 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.5 | -46.8 | -178.2 | -63.6 | -45.7 | 0 | 0 | 0 | 111.9 | R151 N309 W310 N315 L316 Q317 | R151-D313 IonicContact CZ-OD1 3.6Å; R151-D313 IonicContact CZ-OD2 2.72Å; R151-D313 VanDerWaalsContact NH1-CG 3.34Å; R151-D313 IonicContact NH1-OD1 3.62Å; R151-D313 PolarHBondContact NH1-OD1 3.49Å; R151-D313 IonicContact NH1-OD2 3.44Å; R151-D313 PolarHBondContact NH1-OD2 3.29Å; R151-D313 IonicContact NH2-OD1 2.71Å; R151-D313 PolarHBondContact NH2-OD1 2.89Å; R151-D313 IonicContact NH2-OD2 3.55Å; R151-D313 PolarHBondContact NH2-OD2 3.49Å; N309-D313 PolarHBondContact O-N 3.44Å; N309-D313 VanDerWaalsContact O-OD2 3.09Å; W310-D313 PolarHBondContact O-N 3.02Å; D313-N315 VanDerWaalsContact C-N 3.34Å; D313-N315 PolarHBondContact O-N 3.24Å; D313-L316 PolarHBondContact O-N 3.16Å; D313-Q317 WeakPolarHBondContact O-CB 3.35Å; D313-Q317 PolarHBondContact O-N 3.2Å |
| 314 | R | 97.1 | Very high | 95.8 | Very high | 51 Ų | 51 | 40.2 Ų | 40.2 | 19% | 0.192 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.7 | -45.7 | 175 | 178.6 | -89.7 | 174.4 | -156.3 | -4.1 | 111.3 | D105 W310 Q317 V318 | D105-R314 VanDerWaalsContact CG-NH1 3.35Å; D105-R314 IonicContact OD1-CZ 2.74Å; D105-R314 IonicContact OD1-NH1 3.59Å; D105-R314 PolarHBondContact OD1-NH1 2.97Å; D105-R314 VanDerWaalsContact OD1-NH1 3.09Å; D105-R314 IonicContact OD1-NH2 2.82Å; D105-R314 PolarHBondContact OD1-NH2 3.06Å; D105-R314 IonicContact OD2-CZ 2.75Å; D105-R314 IonicContact OD2-NH1 3.45Å; D105-R314 PolarHBondContact OD2-NH1 3.29Å; D105-R314 IonicContact OD2-NH2 3.28Å; W310-R314 HydrophobicContact CD2-CB 4.37Å; W310-R314 HydrophobicContact CH2-CB 4.4Å; W310-R314 HydrophobicContact CH2-CG 4.04Å; W310-R314 HydrophobicContact CZ2-CB 4.08Å; W310-R314 HydrophobicContact CZ2-CG 3.86Å; W310-R314 VanDerWaalsContact O-CB 3.27Å; W310-R314 WeakPolarHBondContact O-CB 3.37Å; W310-R314 PolarHBondContact O-N 3.42Å; R314-Q317 PolarHBondContact O-N 3.09Å; R314-V318 HydrophobicContact CG-CG2 4.32Å; R314-V318 WeakPolarHBondContact O-CB 3.11Å; R314-V318 VanDerWaalsContact O-CG2 3.3Å; R314-V318 WeakPolarHBondContact O-CG2 3.43Å; R314-V318 PolarHBondContact O-N 3.26Å |
| 315 | N | 96.6 | Very high | 95.8 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.9 | -38.8 | -178.8 | -76.2 | -11.6 | 0 | 0 | 0 | 111.5 | P102 P104 L311 V312 D313 S319 | P102-N315 PolarHBondContact O-ND2 3.47Å; P104-N315 WeakPolarHBondContact CD-ND2 3.44Å; P104-N315 WeakPolarHBondContact CD-OD1 3.27Å; P104-N315 HydrophobicContact CG-CB 3.85Å; L311-N315 WeakPolarHBondContact CD1-ND2 3.42Å; L311-N315 WeakPolarHBondContact O-CB 3.43Å; L311-N315 PolarHBondContact O-N 3.23Å; L311-N315 PolarHBondContact O-ND2 3.32Å; V312-N315 PolarHBondContact O-N 2.72Å; D313-N315 VanDerWaalsContact C-N 3.34Å; D313-N315 PolarHBondContact O-N 3.24Å; N315-S319 WeakPolarHBondContact O-CB 3.31Å; N315-S319 PolarHBondContact O-N 2.87Å; N315-S319 VanDerWaalsContact O-N 3.1Å; N315-S319 PolarHBondContact O-OG 2.96Å |
| 316 | L | 96.4 | Very high | 95.7 | Very high | 40 Ų | 40 | 50.9 Ų | 50.9 | 21% | 0.209 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.9 | -50.3 | 173.7 | -176.1 | 65.9 | 0 | 0 | 0 | 111.4 | L163 V312 D313 S319 L320 | L163-L316 HydrophobicContact CD2-CD1 4.07Å; L163-L316 HydrophobicContact CD2-CD2 3.87Å; V312-L316 WeakPolarHBondContact O-CB 3.47Å; V312-L316 PolarHBondContact O-N 3.26Å; D313-L316 PolarHBondContact O-N 3.16Å; L316-S319 PolarHBondContact O-OG 3.3Å; L316-L320 HydrophobicContact CD1-CD1 3.67Å; L316-L320 HydrophobicContact CD1-CG 4.41Å; L316-L320 HydrophobicContact CG-CD1 4.1Å; L316-L320 WeakPolarHBondContact O-CB 3.46Å; L316-L320 VanDerWaalsContact O-CG 3.29Å; L316-L320 WeakPolarHBondContact O-CG 3.39Å; L316-L320 PolarHBondContact O-N 3.18Å |
| 317 | Q | 96.8 | Very high | 95.6 | Very high | 140 Ų | 140 | 51.4 Ų | 51.4 | 65% | 0.654 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.9 | -57.8 | -179.7 | -174.4 | -174.4 | 11.9 | 0 | 0 | 111.8 | D313 R314 S319 L320 L321 | D313-Q317 WeakPolarHBondContact O-CB 3.35Å; D313-Q317 PolarHBondContact O-N 3.2Å; R314-Q317 PolarHBondContact O-N 3.09Å; Q317-S319 PolarHBondContact O-N 3.27Å; Q317-L320 PolarHBondContact O-N 2.91Å; Q317-L321 VanDerWaalsContact O-CB 3.31Å; Q317-L321 WeakPolarHBondContact O-CB 3.44Å; Q317-L321 PolarHBondContact O-N 3.2Å |
| 318 | V | 96.8 | Very high | 95.3 | Very high | 49 Ų | 49 | 51 Ų | 51 | 30% | 0.297 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.7 | -41.3 | -172.8 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | R314 S322 | R314-V318 HydrophobicContact CG-CG2 4.32Å; R314-V318 WeakPolarHBondContact O-CB 3.11Å; R314-V318 VanDerWaalsContact O-CG2 3.3Å; R314-V318 WeakPolarHBondContact O-CG2 3.43Å; R314-V318 PolarHBondContact O-N 3.26Å; V318-S322 WeakPolarHBondContact O-CB 3.49Å; V318-S322 PolarHBondContact O-N 2.89Å |
| 319 | S | 96.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.007 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.7 | -34.7 | -179 | 63.8 | 0 | 0 | 0 | 0 | 113.5 | N134 N315 L316 Q317 V323 | N134-S319 PolarHBondContact ND2-OG 3.43Å; N134-S319 PolarHBondContact OD1-OG 3.22Å; N315-S319 WeakPolarHBondContact O-CB 3.31Å; N315-S319 PolarHBondContact O-N 2.87Å; N315-S319 VanDerWaalsContact O-N 3.1Å; N315-S319 PolarHBondContact O-OG 2.96Å; L316-S319 PolarHBondContact O-OG 3.3Å; Q317-S319 PolarHBondContact O-N 3.27Å; S319-V323 WeakPolarHBondContact O-CG2 3.48Å |
| 320 | L | 96.3 | Very high | 94.9 | Very high | 27 Ų | 27 | 59.1 Ų | 59.1 | 14% | 0.141 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -73.9 | -41.5 | 176.1 | -69.8 | 175.3 | 0 | 0 | 0 | 111.5 | R127 L316 Q317 V323 D324 | R127-L320 HydrophobicContact CB-CD2 4.09Å; R127-L320 HydrophobicContact CG-CD2 4.29Å; L316-L320 HydrophobicContact CD1-CD1 3.67Å; L316-L320 HydrophobicContact CD1-CG 4.41Å; L316-L320 HydrophobicContact CG-CD1 4.1Å; L316-L320 WeakPolarHBondContact O-CB 3.46Å; L316-L320 VanDerWaalsContact O-CG 3.29Å; L316-L320 WeakPolarHBondContact O-CG 3.39Å; L316-L320 PolarHBondContact O-N 3.18Å; Q317-L320 PolarHBondContact O-N 2.91Å; L320-V323 PolarHBondContact O-N 3.17Å; L320-D324 WeakPolarHBondContact O-CB 3.35Å; L320-D324 PolarHBondContact O-N 2.97Å |
| 321 | L | 96.5 | Very high | 94.9 | Very high | 66 Ų | 66 | 57.5 Ų | 57.5 | 35% | 0.346 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.9 | -48.4 | 174.5 | -173.6 | 72.6 | 0 | 0 | 0 | 111.3 | Q317 V323 D324 E325 M326 | Q317-L321 VanDerWaalsContact O-CB 3.31Å; Q317-L321 WeakPolarHBondContact O-CB 3.44Å; Q317-L321 PolarHBondContact O-N 3.2Å; L321-V323 PolarHBondContact O-N 2.82Å; L321-D324 PolarHBondContact O-N 3.03Å; L321-E325 HydrophobicContact CD1-CB 4Å; L321-E325 HydrophobicContact CD1-CG 4.31Å; L321-E325 VanDerWaalsContact CD1-OE2 3.26Å; L321-E325 WeakPolarHBondContact CD1-OE2 3.36Å; L321-E325 PolarHBondContact O-N 2.94Å; L321-M326 HydrophobicContact CG-CG 4.49Å; L321-M326 HydrophobicContact CG-SD 4.45Å; L321-M326 PolarHBondContact O-N 2.64Å |
| 322 | S | 94.8 | Very high | 94.8 | Very high | 32 Ų | 32 | 64.2 Ų | 64.2 | 22% | 0.224 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.7 | -19.6 | -176.4 | 178.6 | 0 | 0 | 0 | 0 | 115 | V318 | V318-S322 WeakPolarHBondContact O-CB 3.49Å; V318-S322 PolarHBondContact O-N 2.89Å |
| 323 | V | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -114.9 | 1.7 | -180 | -52 | 0 | 0 | 0 | 0 | 113.5 | A108 V111 R126 M130 S319 L320 L321 | A108-V323 HydrophobicContact CB-CG1 4.13Å; A108-V323 WeakPolarHBondContact O-CG1 3.37Å; V111-V323 HydrophobicContact CB-CG1 4.26Å; V111-V323 HydrophobicContact CG1-CB 4.38Å; V111-V323 HydrophobicContact CG1-CG1 4.05Å; R126-V323 HydrophobicContact CB-CB 4.08Å; R126-V323 HydrophobicContact CB-CG2 4.01Å; R126-V323 VanDerWaalsContact CD-O 3.28Å; R126-V323 WeakPolarHBondContact CD-O 3.4Å; R126-V323 PolarHBondContact NE-O 2.97Å; M130-V323 HydrophobicContact CB-CG2 4.39Å; M130-V323 HydrophobicContact CG-CB 4.31Å; M130-V323 HydrophobicContact CG-CG1 3.62Å; M130-V323 HydrophobicContact CG-CG2 3.8Å; M130-V323 HydrophobicContact SD-CG1 4.4Å; S319-V323 WeakPolarHBondContact O-CG2 3.48Å; L320-V323 PolarHBondContact O-N 3.17Å; L321-V323 PolarHBondContact O-N 2.82Å |
| 324 | D | 94.9 | Very high | 94.7 | Very high | 15 Ų | 15 | 75 Ų | 75 | 8% | 0.08 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | -81.2 | -178.2 | -165.5 | 18.9 | 0 | 0 | 0 | 111.1 | R123 R127 L320 L321 M326 Y327 | R123-D324 WeakPolarHBondContact CD-OD1 3.3Å; R123-D324 WeakPolarHBondContact CG-OD1 3.37Å; R123-D324 IonicContact CZ-OD1 3.84Å; R123-D324 IonicContact CZ-OD2 2.79Å; R123-D324 IonicContact NE-OD1 2.69Å; R123-D324 PolarHBondContact NE-OD1 3.44Å; R123-D324 IonicContact NE-OD2 3.81Å; R123-D324 PolarHBondContact NE-OD2 3.14Å; R123-D324 IonicContact NH2-OD1 2.69Å; R123-D324 PolarHBondContact NH2-OD1 2.94Å; R123-D324 IonicContact NH2-OD2 3.42Å; R123-D324 PolarHBondContact NH2-OD2 2.9Å; R127-D324 WeakPolarHBondContact CD-OD2 3.38Å; R127-D324 HydrophobicContact CG-CB 4.22Å; R127-D324 IonicContact CZ-OD2 3.31Å; R127-D324 IonicContact NE-OD2 3.72Å; R127-D324 IonicContact NH1-OD2 2.82Å; R127-D324 PolarHBondContact NH1-OD2 2.68Å; L320-D324 WeakPolarHBondContact O-CB 3.35Å; L320-D324 PolarHBondContact O-N 2.97Å; L321-D324 PolarHBondContact O-N 3.03Å; D324-M326 VanDerWaalsContact C-N 3.29Å; D324-M326 PolarHBondContact O-N 2.97Å; D324-Y327 WeakPolarHBondContact O-CB 3.32Å; D324-Y327 PolarHBondContact O-N 3.32Å; D324-Y327 VanDerWaalsContact O-N 3.11Å |
| 325 | E | 93.5 | Very high | 94.6 | Very high | 130 Ų | 130 | 81.3 Ų | 81.3 | 61% | 0.607 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -29 | -177.5 | -66.1 | 166.6 | -137.4 | 0 | 0 | 112.5 | L321 S329 | L321-E325 HydrophobicContact CD1-CB 4Å; L321-E325 HydrophobicContact CD1-CG 4.31Å; L321-E325 VanDerWaalsContact CD1-OE2 3.26Å; L321-E325 WeakPolarHBondContact CD1-OE2 3.36Å; L321-E325 PolarHBondContact O-N 2.94Å; E325-S329 WeakPolarHBondContact O-CB 3.5Å |
| 326 | M | 93.6 | Very high | 94.5 | Very high | 117 Ų | 117 | 85 Ų | 85 | 58% | 0.576 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -1 | 174.9 | -60.8 | -178.5 | 68.6 | 0 | 0 | 114 | L321 D324 D328 | L321-M326 HydrophobicContact CG-CG 4.49Å; L321-M326 HydrophobicContact CG-SD 4.45Å; L321-M326 PolarHBondContact O-N 2.64Å; D324-M326 VanDerWaalsContact C-N 3.29Å; D324-M326 PolarHBondContact O-N 2.97Å; M326-D328 PolarHBondContact O-N 2.85Å |
| 327 | Y | 93 | Very high | 94.5 | Very high | 28 Ų | 28 | 90.5 Ų | 90.5 | 11% | 0.11 | 47% | 0.469 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 120.8 | 179.8 | 173.2 | -87.2 | 0 | 0 | 0 | 111.1 | G112 R116 G117 T118 D324 S329 | G112-Y327 WeakPolarHBondContact O-CD2 3.37Å; R116-Y327 WeakPolarHBondContact CD-OH 3.3Å; G117-Y327 PolarHBondContact N-OH 3.2Å; G117-Y327 VanDerWaalsContact N-OH 3.1Å; T118-Y327 HydrophobicContact CG2-CE1 4.02Å; D324-Y327 WeakPolarHBondContact O-CB 3.32Å; D324-Y327 PolarHBondContact O-N 3.32Å; D324-Y327 VanDerWaalsContact O-N 3.11Å; Y327-S329 PolarHBondContact O-N 3.33Å |
| 328 | D | 88.5 | Confident | 94.4 | Very high | 93 Ų | 93 | 86.9 Ų | 86.9 | 50% | 0.497 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 11 | -174.4 | -93.6 | -3.6 | 0 | 0 | 0 | 115.1 | R116 M326 L330 | R116-D328 IonicContact NH1-OD1 3.09Å; R116-D328 PolarHBondContact NH1-OD1 3.09Å; R116-D328 IonicContact NH1-OD2 3.54Å; M326-D328 PolarHBondContact O-N 2.85Å; D328-L330 PolarHBondContact O-N 3.24Å |
| 329 | S | 91 | Very high | 94.3 | Very high | 85 Ų | 85 | 91.5 Ų | 91.5 | 59% | 0.594 | 46% | 0.462 | S | S | * | . | trans | -92 | 90.7 | 176.5 | -176.7 | 0 | 0 | 0 | 0 | 110.4 | E325 Y327 | E325-S329 WeakPolarHBondContact O-CB 3.5Å; Y327-S329 PolarHBondContact O-N 3.33Å | ||
| 330 | L | 91.6 | Very high | 94.3 | Very high | 130 Ų | 130 | 98.6 Ų | 98.6 | 68% | 0.681 | 50% | 0.5 | S | S | * | . | trans | -104.8 | 148.6 | 175.3 | -66 | 91.8 | 0 | 0 | 0 | 111 | D328 | D328-L330 PolarHBondContact O-N 3.24Š| ||
| 331 | P | 94.4 | Very high | 94.2 | Very high | 115 Ų | 115 | 102.2 Ų | 102.2 | 75% | 0.747 | 52% | 0.516 | S | S | * | . | trans | -63.8 | 164.4 | 164 | 30.9 | -35.8 | 0 | 0 | 0 | 110.8 | V333 | P331-V333 PolarHBondContact O-N 3.27Š| ||
| 332 | L | 93.6 | Very high | 94 | Very high | 149 Ų | 149 | 104.4 Ų | 104.4 | 78% | 0.78 | 54% | 0.537 | S | S | * | . | trans | -59.8 | 135.8 | 175.5 | -66.4 | 175.2 | 0 | 0 | 0 | 110.7 | E334 | L332-E334 HydrophobicContact CB-CG 4.44Å; L332-E334 PolarHBondContact O-N 2.84Å; L332-E334 VanDerWaalsContact O-N 3.12Å | ||
| 333 | V | 95.4 | Very high | 93.8 | Very high | 144 Ų | 144 | 109.7 Ų | 109.7 | 87% | 0.873 | 56% | 0.558 | S | S | * | * | trans | -82.5 | 93 | -179.7 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | P331 | P331-V333 PolarHBondContact O-N 3.27Š| ||
| 334 | E | 95.6 | Very high | 93.7 | Very high | 153 Ų | 153 | 112.9 Ų | 112.9 | 72% | 0.715 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 167.2 | 178 | -63.9 | -175.3 | -173.9 | 0 | 0 | 111.9 | L332 | L332-E334 HydrophobicContact CB-CG 4.44Å; L332-E334 PolarHBondContact O-N 2.84Å; L332-E334 VanDerWaalsContact O-N 3.12Å |
| 335 | R | 96 | Very high | 93.4 | Very high | 185 Ų | 185 | 117.1 Ų | 117.1 | 70% | 0.698 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 133.7 | 167.9 | -68.8 | -179.2 | 179.7 | 166.1 | 1.4 | 108.5 | W339 | R335-W339 HydrophobicContact CB-CB 4.06Å; R335-W339 HydrophobicContact CB-CD2 3.97Å; R335-W339 HydrophobicContact CB-CE3 4.1Å; R335-W339 HydrophobicContact CB-CG 3.94Å; R335-W339 HydrophobicContact CG-CD2 3.69Å; R335-W339 HydrophobicContact CG-CE3 3.95Å; R335-W339 HydrophobicContact CG-CG 3.97Å; R335-W339 HydrophobicContact CG-CZ3 4.46Å |
| 336 | D | 95.1 | Very high | 93.4 | Very high | 87 Ų | 87 | 114.7 Ų | 114.7 | 47% | 0.465 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -71.1 | 165.6 | 177 | 72.1 | 96.2 | 0 | 0 | 0 | 112.2 | Y338 W339 | D336-Y338 PolarHBondContact O-N 3.49Å; D336-Y338 VanDerWaalsContact O-N 3.09Å; D336-Y338 VanDerWaalsContact OD1-CA 3.28Å; D336-Y338 WeakPolarHBondContact OD1-CA 3.45Å; D336-Y338 WeakPolarHBondContact OD1-CB 3.22Å; D336-Y338 PolarHBondContact OD1-N 3.08Å; D336-W339 WeakPolarHBondContact O-CB 3.33Å; D336-W339 PolarHBondContact O-N 3.42Å; D336-W339 VanDerWaalsContact O-N 3.17Å; D336-W339 PolarHBondContact OD1-N 3.01Å |
| 337 | M | 94.5 | Very high | 93.4 | Very high | 154 Ų | 154 | 114.5 Ų | 114.5 | 76% | 0.759 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -18.3 | -177 | -169.7 | 170.8 | 67.3 | 0 | 0 | 113.9 | ||
| 338 | Y | 96 | Very high | 93.5 | Very high | 64 Ų | 64 | 118.6 Ų | 118.6 | 25% | 0.251 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111 | 13.4 | -178.4 | -59 | -74.9 | 0 | 0 | 0 | 113.2 | D336 N340 E341 P344 Q345 P346 | D336-Y338 PolarHBondContact O-N 3.49Å; D336-Y338 VanDerWaalsContact O-N 3.09Å; D336-Y338 VanDerWaalsContact OD1-CA 3.28Å; D336-Y338 WeakPolarHBondContact OD1-CA 3.45Å; D336-Y338 WeakPolarHBondContact OD1-CB 3.22Å; D336-Y338 PolarHBondContact OD1-N 3.08Å; Y338-N340 PolarHBondContact O-N 3.22Å; Y338-E341 HydrophobicContact CD1-CB 4.33Å; Y338-E341 HydrophobicContact CD1-CG 4.31Å; Y338-E341 PolarHBondContact O-N 3.33Å; Y338-P344 HydrophobicContact CD1-CB 3.68Å; Y338-P344 HydrophobicContact CD2-CB 4.17Å; Y338-P344 HydrophobicContact CE1-CB 4.21Å; Y338-P344 HydrophobicContact CG-CB 3.66Å; Y338-Q345 PolarHBondContact OH-O 2.7Å; Y338-Q345 VanDerWaalsContact OH-O 3.06Å; Y338-P346 WeakPolarHBondContact OH-CA 3.42Å |
| 339 | W | 94.6 | Very high | 93.9 | Very high | 146 Ų | 146 | 118.3 Ų | 118.3 | 55% | 0.553 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.2 | -28.3 | -173.6 | -179.6 | -85.8 | 0 | 0 | 0 | 116.2 | R335 D336 | R335-W339 HydrophobicContact CB-CB 4.06Å; R335-W339 HydrophobicContact CB-CD2 3.97Å; R335-W339 HydrophobicContact CB-CE3 4.1Å; R335-W339 HydrophobicContact CB-CG 3.94Å; R335-W339 HydrophobicContact CG-CD2 3.69Å; R335-W339 HydrophobicContact CG-CE3 3.95Å; R335-W339 HydrophobicContact CG-CG 3.97Å; R335-W339 HydrophobicContact CG-CZ3 4.46Å; D336-W339 WeakPolarHBondContact O-CB 3.33Å; D336-W339 PolarHBondContact O-N 3.42Å; D336-W339 VanDerWaalsContact O-N 3.17Å; D336-W339 PolarHBondContact OD1-N 3.01Å |
| 340 | N | 95.1 | Very high | 94.1 | Very high | 150 Ų | 150 | 120.3 Ų | 120.3 | 80% | 0.802 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | 5.5 | 177.3 | -60.6 | -53.9 | 0 | 0 | 0 | 113.6 | Y338 | Y338-N340 PolarHBondContact O-N 3.22Š|
| 341 | E | 94.1 | Very high | 94.1 | Very high | 103 Ų | 103 | 118 Ų | 118 | 48% | 0.481 | 63% | 0.63 | S | S | . | * | trans | -101.1 | 124.1 | -174.9 | 178.9 | 53.8 | -96.3 | 0 | 0 | 110.4 | Y338 E343 | Y338-E341 HydrophobicContact CD1-CB 4.33Å; Y338-E341 HydrophobicContact CD1-CG 4.31Å; Y338-E341 PolarHBondContact O-N 3.33Å; E341-E343 PolarHBondContact OE1-N 3.46Å | ||
| 342 | S | 92.4 | Very high | 94.1 | Very high | 112 Ų | 112 | 114.1 Ų | 114.1 | 78% | 0.783 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -79.3 | -27.9 | -179.7 | 46.7 | 0 | 0 | 0 | 0 | 113.4 | ||
| 343 | E | 91.6 | Very high | 94 | Very high | 143 Ų | 143 | 109.6 Ų | 109.6 | 67% | 0.668 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -124.8 | 72.4 | 179.4 | -67.5 | -167.4 | -176.2 | 0 | 0 | 111.2 | E341 Q345 | E341-E343 PolarHBondContact OE1-N 3.46Å; E343-Q345 PolarHBondContact O-N 2.71Å |
| 344 | P | 92.7 | Very high | 93.7 | Very high | 68 Ų | 68 | 110 Ų | 110 | 44% | 0.442 | 58% | 0.583 | S | S | . | * | trans | -56.1 | 122.9 | -175.2 | 21.6 | -33.8 | 0 | 0 | 0 | 112.3 | Y338 P346 | Y338-P344 HydrophobicContact CD1-CB 3.68Å; Y338-P344 HydrophobicContact CD2-CB 4.17Å; Y338-P344 HydrophobicContact CE1-CB 4.21Å; Y338-P344 HydrophobicContact CG-CB 3.66Å; P344-P346 VanDerWaalsContact O-CD 3.29Å; P344-P346 WeakPolarHBondContact O-CD 3.22Å | ||
| 345 | Q | 88.8 | Confident | 93.4 | Very high | 103 Ų | 103 | 107.9 Ų | 107.9 | 48% | 0.481 | 57% | 0.572 | S | S | . | * | trans | -109.7 | 97.1 | 175.7 | -63.3 | -64.1 | -59 | 0 | 0 | 110.2 | Y338 E343 | Y338-Q345 PolarHBondContact OH-O 2.7Å; Y338-Q345 VanDerWaalsContact OH-O 3.06Å; E343-Q345 PolarHBondContact O-N 2.71Å | ||
| 346 | P | 94.2 | Very high | 93.1 | Very high | 80 Ų | 80 | 106.1 Ų | 106.1 | 52% | 0.519 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 134.3 | 167.6 | -28.7 | 37 | 0 | 0 | 0 | 112.1 | Y338 P344 Y348 | Y338-P346 WeakPolarHBondContact OH-CA 3.42Å; P344-P346 VanDerWaalsContact O-CD 3.29Å; P344-P346 WeakPolarHBondContact O-CD 3.22Å; P346-Y348 WeakPolarHBondContact O-CD2 3.16Å |
| 347 | P | 93.6 | Very high | 92.8 | Very high | 113 Ų | 113 | 109.4 Ų | 109.4 | 73% | 0.734 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 137.9 | 177.6 | 28.8 | -34.3 | 0 | 0 | 0 | 111 | ||
| 348 | Y | 94.6 | Very high | 92.5 | Very high | 113 Ų | 113 | 108.1 Ų | 108.1 | 44% | 0.443 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -95.9 | 134.3 | 174.9 | -76.1 | -108.8 | 0 | 0 | 0 | 109.8 | P346 S352 R356 | P346-Y348 WeakPolarHBondContact O-CD2 3.16Å; Y348-S352 WeakPolarHBondContact CD1-O 3.23Å; Y348-R356 HydrophobicContact CD1-CB 4.07Å; Y348-R356 HydrophobicContact CD2-CB 4.34Å; Y348-R356 HydrophobicContact CD2-CG 4.21Å; Y348-R356 HydrophobicContact CE1-CB 3.9Å; Y348-R356 HydrophobicContact CE1-CG 4.42Å; Y348-R356 HydrophobicContact CE2-CB 4.2Å; Y348-R356 HydrophobicContact CE2-CG 3.87Å; Y348-R356 HydrophobicContact CG-CB 4.29Å |
| 349 | T | 96.5 | Very high | 92.2 | Very high | 87 Ų | 87 | 110.2 Ų | 110.2 | 53% | 0.534 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -64 | 156.1 | 166.6 | 74.6 | 0 | 0 | 0 | 0 | 110.4 | A351 S352 A353 | T349-A351 VanDerWaalsContact C-N 3.27Å; T349-A351 PolarHBondContact O-N 3.11Å; T349-S352 WeakPolarHBondContact CA-OG 3.41Å; T349-S352 PolarHBondContact N-OG 3.01Å; T349-S352 CarbonylContact O-C 3.49Å; T349-S352 PolarHBondContact O-N 3.28Å; T349-S352 PolarHBondContact O-OG 3Å; T349-S352 PolarHBondContact OG1-N 3.27Å; T349-S352 PolarHBondContact OG1-OG 3.12Å; T349-A353 PolarHBondContact O-N 3.43Å |
| 350 | P | 95 | Very high | 92.1 | Very high | 127 Ų | 127 | 111.3 Ų | 111.3 | 83% | 0.825 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -54.5 | -39.7 | 178.3 | -28.1 | 36 | 0 | 0 | 0 | 113.9 | S352 A353 | P350-S352 VanDerWaalsContact C-N 3.35Å; P350-S352 PolarHBondContact O-N 3.26Å; P350-A353 WeakPolarHBondContact O-CB 3.33Å; P350-A353 PolarHBondContact O-N 2.76Å |
| 351 | A | 93.4 | Very high | 91.8 | Very high | 83 Ų | 83 | 111.6 Ų | 111.6 | 69% | 0.686 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -67.2 | -33.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T349 | T349-A351 VanDerWaalsContact C-N 3.27Å; T349-A351 PolarHBondContact O-N 3.11Å |
| 352 | S | 93.7 | Very high | 91.6 | Very high | 32 Ų | 32 | 108 Ų | 108 | 22% | 0.224 | 60% | 0.601 | C | S | . | * | G | 310 helix | trans | -84.1 | -5.1 | 175.8 | 56.4 | 0 | 0 | 0 | 0 | 114.3 | Y348 T349 P350 E354 H355 | Y348-S352 WeakPolarHBondContact CD1-O 3.23Å; T349-S352 WeakPolarHBondContact CA-OG 3.41Å; T349-S352 PolarHBondContact N-OG 3.01Å; T349-S352 CarbonylContact O-C 3.49Å; T349-S352 PolarHBondContact O-N 3.28Å; T349-S352 PolarHBondContact O-OG 3Å; T349-S352 PolarHBondContact OG1-N 3.27Å; T349-S352 PolarHBondContact OG1-OG 3.12Å; P350-S352 VanDerWaalsContact C-N 3.35Å; P350-S352 PolarHBondContact O-N 3.26Å; S352-E354 VanDerWaalsContact C-N 3.3Å; S352-E354 PolarHBondContact O-N 2.79Å; S352-H355 WeakPolarHBondContact O-CA 3.46Å; S352-H355 VanDerWaalsContact O-CB 3.27Å; S352-H355 WeakPolarHBondContact O-CB 3.36Å; S352-H355 PolarHBondContact O-N 2.73Å |
| 353 | A | 90.3 | Very high | 91.5 | Very high | 55 Ų | 55 | 107.4 Ų | 107.4 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -60.2 | -35.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T349 P350 H355 R356 | T349-A353 PolarHBondContact O-N 3.43Å; P350-A353 WeakPolarHBondContact O-CB 3.33Å; P350-A353 PolarHBondContact O-N 2.76Å; A353-H355 PolarHBondContact O-N 2.72Å; A353-R356 WeakPolarHBondContact O-CB 3.46Å; A353-R356 PolarHBondContact O-N 3.49Å |
| 354 | E | 90.8 | Very high | 91.3 | Very high | 153 Ų | 153 | 103.7 Ų | 103.7 | 72% | 0.715 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -66 | -17.4 | 174.5 | 68.5 | -177.9 | 177.9 | 0 | 0 | 114.1 | S352 R356 | S352-E354 VanDerWaalsContact C-N 3.3Å; S352-E354 PolarHBondContact O-N 2.79Å; E354-R356 VanDerWaalsContact C-N 3.34Å |
| 355 | H | 89.3 | Confident | 90.7 | Very high | 108 Ų | 108 | 106.3 Ų | 106.3 | 50% | 0.5 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -84.5 | -8.6 | 177.9 | -64.6 | 77.7 | 0 | 0 | 0 | 112.6 | S352 A353 K357 | S352-H355 WeakPolarHBondContact O-CA 3.46Å; S352-H355 VanDerWaalsContact O-CB 3.27Å; S352-H355 WeakPolarHBondContact O-CB 3.36Å; S352-H355 PolarHBondContact O-N 2.73Å; A353-H355 PolarHBondContact O-N 2.72Å; H355-K357 PolarHBondContact O-N 3.5Å |
| 356 | R | 88.7 | Confident | 90.3 | Very high | 148 Ų | 148 | 108.7 Ų | 108.7 | 56% | 0.558 | 62% | 0.617 | S | S | * | * | trans | -73.5 | 76.9 | 174.5 | -167.3 | -177.9 | -173.8 | -163.6 | 3.2 | 111 | Y348 A353 E354 | Y348-R356 HydrophobicContact CD1-CB 4.07Å; Y348-R356 HydrophobicContact CD2-CB 4.34Å; Y348-R356 HydrophobicContact CD2-CG 4.21Å; Y348-R356 HydrophobicContact CE1-CB 3.9Å; Y348-R356 HydrophobicContact CE1-CG 4.42Å; Y348-R356 HydrophobicContact CE2-CB 4.2Å; Y348-R356 HydrophobicContact CE2-CG 3.87Å; Y348-R356 HydrophobicContact CG-CB 4.29Å; A353-R356 WeakPolarHBondContact O-CB 3.46Å; A353-R356 PolarHBondContact O-N 3.49Å; E354-R356 VanDerWaalsContact C-N 3.34Å | ||
| 357 | K | 88.9 | Confident | 89.6 | Confident | 156 Ų | 156 | 110.4 Ų | 110.4 | 68% | 0.678 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 153.8 | 179.1 | -68.4 | 167.4 | -175.2 | 170.7 | 0 | 110.7 | H355 | H355-K357 PolarHBondContact O-N 3.5Š|
| 358 | P | 88.3 | Confident | 88.8 | Confident | 126 Ų | 126 | 110.5 Ų | 110.5 | 82% | 0.818 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 157 | 171.6 | 28.8 | -35.8 | 0 | 0 | 0 | 110.9 | F360 | P358-F360 PolarHBondContact O-N 3.38Š|
| 359 | S | 90.4 | Very high | 88.3 | Confident | 109 Ų | 109 | 108.2 Ų | 108.2 | 76% | 0.762 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 132.6 | 177.5 | -171.1 | 0 | 0 | 0 | 0 | 111.2 | M361 | S359-M361 PolarHBondContact O-N 3.03Å; S359-M361 VanDerWaalsContact O-N 3.11Å |
| 360 | F | 90.8 | Very high | 87.6 | Confident | 169 Ų | 169 | 106.8 Ų | 106.8 | 74% | 0.741 | 61% | 0.613 | S | S | * | * | trans | -78.8 | 94.9 | 175.3 | 177 | -106 | 0 | 0 | 0 | 109.8 | P358 G362 | P358-F360 PolarHBondContact O-N 3.38Å; F360-G362 VanDerWaalsContact C-N 3.27Å; F360-G362 PolarHBondContact O-N 3.24Å | ||
| 361 | M | 89.7 | Confident | 86.7 | Confident | 155 Ų | 155 | 108.6 Ų | 108.6 | 76% | 0.764 | 61% | 0.608 | S | S | * | * | trans | -77.4 | -9.7 | -178.8 | -57.5 | -179.7 | 68.4 | 0 | 0 | 113.9 | S359 L365 | S359-M361 PolarHBondContact O-N 3.03Å; S359-M361 VanDerWaalsContact O-N 3.11Å; M361-L365 HydrophobicContact CB-CD1 3.45Å; M361-L365 VanDerWaalsContact CB-CD1 3.45Å; M361-L365 HydrophobicContact CE-CD1 4.24Å; M361-L365 WeakPolarHBondContact O-CD1 3.28Å | ||
| 362 | G | 89.8 | Confident | 85.8 | Confident | 29 Ų | 29 | 111.9 Ų | 111.9 | 30% | 0.299 | 61% | 0.609 | S | S | . | * | trans | 116.9 | 144.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | F360 A364 L365 | F360-G362 VanDerWaalsContact C-N 3.27Å; F360-G362 PolarHBondContact O-N 3.24Å; G362-A364 VanDerWaalsContact C-N 3.26Å; G362-A364 PolarHBondContact O-N 3.4Å; G362-L365 PolarHBondContact O-N 3.23Å | ||
| 363 | S | 90.3 | Very high | 84.9 | Confident | 99 Ų | 99 | 117.2 Ų | 117.2 | 69% | 0.692 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -65.5 | -23.6 | -175.5 | 50.4 | 0 | 0 | 0 | 0 | 114.5 | L365 D366 | S363-L365 VanDerWaalsContact C-N 3.26Å; S363-L365 PolarHBondContact O-N 2.84Å; S363-D366 PolarHBondContact O-N 3.15Å |
| 364 | A | 87.1 | Confident | 84.1 | Confident | 65 Ų | 65 | 120.4 Ų | 120.4 | 54% | 0.537 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -71 | -17.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G362 D366 I367 | G362-A364 VanDerWaalsContact C-N 3.26Å; G362-A364 PolarHBondContact O-N 3.4Å; A364-D366 VanDerWaalsContact C-N 3.3Å; A364-I367 HydrophobicContact CB-CD1 4.23Å; A364-I367 VanDerWaalsContact O-CB 3.28Å; A364-I367 WeakPolarHBondContact O-CB 3.28Å; A364-I367 WeakPolarHBondContact O-CG1 3.45Å; A364-I367 PolarHBondContact O-N 2.69Å |
| 365 | L | 81.6 | Confident | 83.6 | Confident | 123 Ų | 123 | 120.4 Ų | 120.4 | 64% | 0.644 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -82 | -8.4 | -179.6 | -67.3 | 169.5 | 0 | 0 | 0 | 113.7 | M361 G362 S363 I367 | M361-L365 HydrophobicContact CB-CD1 3.45Å; M361-L365 VanDerWaalsContact CB-CD1 3.45Å; M361-L365 HydrophobicContact CE-CD1 4.24Å; M361-L365 WeakPolarHBondContact O-CD1 3.28Å; G362-L365 PolarHBondContact O-N 3.23Å; S363-L365 VanDerWaalsContact C-N 3.26Å; S363-L365 PolarHBondContact O-N 2.84Å; L365-I367 VanDerWaalsContact C-N 3.27Å |
| 366 | D | 78.9 | Confident | 83.1 | Confident | 153 Ų | 153 | 124.7 Ų | 124.7 | 82% | 0.818 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -84.1 | -3.8 | 167.6 | -157.1 | 38.8 | 0 | 0 | 0 | 111.6 | S363 A364 S368 | S363-D366 PolarHBondContact O-N 3.15Å; A364-D366 VanDerWaalsContact C-N 3.3Å; D366-S368 PolarHBondContact O-N 3.19Å; D366-S368 VanDerWaalsContact O-N 3.16Å |
| 367 | I | 80.6 | Confident | 82.2 | Confident | 115 Ų | 115 | 125.4 Ų | 125.4 | 59% | 0.59 | 67% | 0.665 | S | S | * | * | trans | -80.9 | 95 | 176.7 | -54.8 | 174.8 | 0 | 0 | 0 | 109.2 | A364 L365 V369 | A364-I367 HydrophobicContact CB-CD1 4.23Å; A364-I367 VanDerWaalsContact O-CB 3.28Å; A364-I367 WeakPolarHBondContact O-CB 3.28Å; A364-I367 WeakPolarHBondContact O-CG1 3.45Å; A364-I367 PolarHBondContact O-N 2.69Å; L365-I367 VanDerWaalsContact C-N 3.27Å; I367-V369 HydrophobicContact CG2-CG2 4.09Å; I367-V369 PolarHBondContact O-N 3.02Å | ||
| 368 | S | 76.8 | Confident | 80.9 | Confident | 115 Ų | 115 | 122.9 Ų | 122.9 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | trans | -71.7 | 91.9 | 167.3 | 63 | 0 | 0 | 0 | 0 | 110.6 | D366 | D366-S368 PolarHBondContact O-N 3.19Å; D366-S368 VanDerWaalsContact O-N 3.16Å | ||
| 369 | V | 82.8 | Confident | 79.6 | Confident | 65 Ų | 65 | 123.2 Ų | 123.2 | 39% | 0.394 | 66% | 0.662 | S | S | . | * | trans | -66.2 | 131.7 | 170.5 | -176 | 0 | 0 | 0 | 0 | 109 | I367 E373 M374 | I367-V369 HydrophobicContact CG2-CG2 4.09Å; I367-V369 PolarHBondContact O-N 3.02Å; V369-E373 HydrophobicContact CG1-CB 3.61Å; V369-M374 HydrophobicContact CB-CG 3.82Å; V369-M374 HydrophobicContact CG1-CG 3.79Å | ||
| 370 | P | 82.1 | Confident | 78 | Confident | 58 Ų | 58 | 123.8 Ų | 123.8 | 38% | 0.377 | 66% | 0.656 | S | S | . | * | trans | -55.6 | 146.2 | 171.6 | -24 | 33.8 | 0 | 0 | 0 | 111.3 | E372 E373 M374 | P370-E372 WeakPolarHBondContact CB-OE2 3.47Å; P370-E372 PolarHBondContact O-N 3.08Å; P370-E372 VanDerWaalsContact O-N 3.14Å; P370-E373 HydrophobicContact CB-CB 4.43Å; P370-E373 HydrophobicContact CB-CG 4.38Å; P370-E373 WeakPolarHBondContact CD-OE2 3.38Å; P370-E373 HydrophobicContact CG-CG 4.43Å; P370-E373 CarbonylContact O-C 3.59Å; P370-E373 WeakPolarHBondContact O-CA 3.43Å; P370-E373 PolarHBondContact O-N 3.08Å; P370-M374 WeakPolarHBondContact O-CG 3.39Å; P370-M374 PolarHBondContact O-N 3.13Å | ||
| 371 | K | 76.6 | Confident | 76.3 | Confident | 164 Ų | 164 | 124.9 Ų | 124.9 | 71% | 0.713 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -60.9 | -31.4 | -175.6 | -70.8 | -174.9 | 176.5 | -176.6 | 0 | 112.5 | E373 M374 | K371-E373 PolarHBondContact O-N 3.12Å; K371-M374 HydrophobicContact CG-SD 4.39Å; K371-M374 PolarHBondContact O-N 3.39Å |
| 372 | E | 74.6 | Confident | 74.6 | Confident | 153 Ų | 153 | 125.3 Ų | 125.3 | 72% | 0.715 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -66.9 | -22.2 | 175.9 | -54.8 | 76.1 | -169.2 | 0 | 0 | 112.6 | P370 | P370-E372 WeakPolarHBondContact CB-OE2 3.47Å; P370-E372 PolarHBondContact O-N 3.08Å; P370-E372 VanDerWaalsContact O-N 3.14Å |
| 373 | E | 74 | Confident | 72.7 | Confident | 143 Ų | 143 | 130.9 Ų | 130.9 | 67% | 0.668 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -105.6 | -9.3 | 176.2 | -64.9 | 177 | -168.8 | 0 | 0 | 112.3 | V369 P370 K371 E375 | V369-E373 HydrophobicContact CG1-CB 3.61Å; P370-E373 HydrophobicContact CB-CB 4.43Å; P370-E373 HydrophobicContact CB-CG 4.38Å; P370-E373 WeakPolarHBondContact CD-OE2 3.38Å; P370-E373 HydrophobicContact CG-CG 4.43Å; P370-E373 CarbonylContact O-C 3.59Å; P370-E373 WeakPolarHBondContact O-CA 3.43Å; P370-E373 PolarHBondContact O-N 3.08Å; K371-E373 PolarHBondContact O-N 3.12Å; E373-E375 VanDerWaalsContact C-N 3.34Å |
| 374 | M | 74.4 | Confident | 70.6 | Confident | 122 Ų | 122 | 133 Ų | 133 | 60% | 0.601 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -78.3 | -16.5 | 172.8 | -70.4 | 179.9 | 74.2 | 0 | 0 | 113.1 | V369 P370 K371 F376 | V369-M374 HydrophobicContact CB-CG 3.82Å; V369-M374 HydrophobicContact CG1-CG 3.79Å; P370-M374 WeakPolarHBondContact O-CG 3.39Å; P370-M374 PolarHBondContact O-N 3.13Å; K371-M374 HydrophobicContact CG-SD 4.39Å; K371-M374 PolarHBondContact O-N 3.39Å; M374-F376 PolarHBondContact O-N 3.36Å |
| 375 | E | 80.9 | Confident | 69 | Low | 153 Ų | 153 | 137.9 Ų | 137.9 | 72% | 0.715 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -72.1 | 120.5 | 176.3 | -67.1 | -170.7 | -177 | 0 | 0 | 110.7 | E373 Q377 | E373-E375 VanDerWaalsContact C-N 3.34Å; E375-Q377 PolarHBondContact O-N 2.97Å |
| 376 | F | 77.1 | Confident | 67.2 | Low | 198 Ų | 198 | 140.3 Ų | 140.3 | 87% | 0.868 | 70% | 0.701 | S | S | * | * | trans | -59.2 | 123.8 | 170.3 | -65.1 | -76.3 | 0 | 0 | 0 | 109.5 | M374 S378 | M374-F376 PolarHBondContact O-N 3.36Å; F376-S378 PolarHBondContact O-N 3.35Å | ||
| 377 | Q | 69.6 | Low | 65.4 | Low | 164 Ų | 164 | 140.2 Ų | 140.2 | 77% | 0.766 | 70% | 0.695 | S | S | * | * | trans | -61.1 | 97.8 | -175.1 | -68.6 | -176.2 | -0.6 | 0 | 0 | 111.7 | E375 N379 | E375-Q377 PolarHBondContact O-N 2.97Å; Q377-N379 PolarHBondContact O-N 2.88Å; Q377-N379 VanDerWaalsContact O-N 3.15Å | ||
| 378 | S | 62.8 | Low | 63.6 | Low | 103 Ų | 103 | 143.5 Ų | 143.5 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 0.3 | -174.6 | 52.3 | 0 | 0 | 0 | 0 | 114.9 | F376 | F376-S378 PolarHBondContact O-N 3.35Š|
| 379 | N | 61.3 | Low | 62.3 | Low | 133 Ų | 133 | 142.3 Ų | 142.3 | 71% | 0.711 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | 42.6 | -173.8 | -73 | -74.3 | 0 | 0 | 0 | 113.2 | Q377 | Q377-N379 PolarHBondContact O-N 2.88Å; Q377-N379 VanDerWaalsContact O-N 3.15Å |
| 380 | L | 56.6 | Low | 60.2 | Low | 121 Ų | 121 | 146 Ų | 146 | 63% | 0.634 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -90.1 | -22.9 | 162.4 | -91 | 161.4 | 0 | 0 | 0 | 112.6 | Q382 | L380-Q382 PolarHBondContact O-N 3.21Š|
| 381 | E | 54.9 | Low | 58.2 | Low | 192 Ų | 192 | 153.1 Ų | 153.1 | 90% | 0.897 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 50.5 | 174 | -64.9 | -167.1 | 148.2 | 0 | 0 | 113.1 | ||
| 382 | Q | 53.2 | Low | 56.3 | Low | 163 Ų | 163 | 151.5 Ų | 151.5 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.6 | 27 | 161.3 | -137.8 | 162.8 | 99.3 | 0 | 0 | 115.5 | L380 K384 | L380-Q382 PolarHBondContact O-N 3.21Å; Q382-K384 PolarHBondContact O-N 2.87Å |
| 383 | I | 50.7 | Low | 54.4 | Low | 147 Ų | 147 | 150.4 Ų | 150.4 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | -69.2 | 93.3 | 151 | -58.7 | 179.7 | 0 | 0 | 0 | 106.5 | E385 | I383-E385 PolarHBondContact O-N 3.16Å; I383-E385 VanDerWaalsContact O-N 3.12Å | ||
| 384 | K | 47.1 | Very low | 52.9 | Low | 142 Ų | 142 | 149.4 Ų | 149.4 | 62% | 0.617 | 76% | 0.757 | S | S | * | * | trans | -58.8 | 112.6 | 169.3 | -86.1 | 179.6 | 164.9 | -178 | 0 | 109 | Q382 E387 | Q382-K384 PolarHBondContact O-N 2.87Å; K384-E387 IonicContact NZ-OE2 2.7Å; K384-E387 PolarHBondContact NZ-OE2 3.14Å | ||
| 385 | E | 51.6 | Low | 51.6 | Low | 169 Ų | 169 | 151.6 Ų | 151.6 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -67.1 | 138.5 | 150.6 | -62.5 | -174.3 | 136 | 0 | 0 | 108 | I383 | I383-E385 PolarHBondContact O-N 3.16Å; I383-E385 VanDerWaalsContact O-N 3.12Å |
| 386 | H | 44.8 | Very low | 50.1 | Low | 174 Ų | 174 | 150.5 Ų | 150.5 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | 65.1 | 75.6 | 178.9 | -52.2 | -76.4 | 0 | 0 | 0 | 117.5 | ||||
| 387 | E | 41.3 | Very low | 48.3 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | -128 | 127 | 136 | -161.4 | 152.5 | -169.4 | 0 | 0 | 107 | K384 | K384-E387 IonicContact NZ-OE2 2.7Å; K384-E387 PolarHBondContact NZ-OE2 3.14Å | ||
| 388 | E | 41.9 | Very low | 47.1 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -76.7 | 151.5 | -161 | -70.3 | -167.6 | 137.3 | 0 | 0 | 114.5 | N390 | E388-N390 PolarHBondContact O-N 2.95Š| ||
| 389 | A | 49.1 | Very low | 46.4 | Very low | 89 Ų | 89 | 141.5 Ų | 141.5 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | trans | -27.9 | 119.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 390 | N | 39.2 | Very low | 45.5 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | -164.5 | 173.6 | 123 | -100.2 | -57.9 | 0 | 0 | 0 | 111.1 | E388 | E388-N390 PolarHBondContact O-N 2.95Š| |||
| 391 | Y | 40.8 | Very low | 45.1 | Very low | 206 Ų | 206 | 143.9 Ų | 143.9 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 72.3 | 77.1 | 176.6 | -48.3 | -69.7 | 0 | 0 | 0 | 117.5 | ||
| 392 | T | 37.2 | Very low | 44.8 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | trans | 46.6 | 103.6 | 137.4 | 55.5 | 0 | 0 | 0 | 0 | 118.8 | P394 | T392-P394 WeakPolarHBondContact O-CD 3.36Š| ||
| 393 | T | 34 | Very low | 44.7 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -58.8 | 120.7 | 168.3 | 42.5 | 0 | 0 | 0 | 0 | 113 | L395 | T393-L395 PolarHBondContact O-N 3.27Š| ||
| 394 | P | 42.8 | Very low | 44.4 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -87 | 29.9 | 178.3 | 35.7 | -35.8 | 0 | 0 | 0 | 113.5 | T392 L396 G397 | T392-P394 WeakPolarHBondContact O-CD 3.36Å; P394-L396 PolarHBondContact O-N 3.4Å; P394-G397 PolarHBondContact O-N 3.34Å | ||
| 395 | L | 46.2 | Very low | 43.9 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 89% | 0.885 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 31.9 | -178.3 | -100.6 | 172.6 | 0 | 0 | 0 | 114.1 | T393 | T393-L395 PolarHBondContact O-N 3.27Š|
| 396 | L | 50.8 | Low | 43 | Very low | 130 Ų | 130 | 139 Ų | 139 | 68% | 0.681 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.7 | 15.2 | 178.6 | -111.9 | 157.3 | 0 | 0 | 0 | 113.4 | P394 G398 L399 | P394-L396 PolarHBondContact O-N 3.4Å; L396-G398 PolarHBondContact O-N 3.48Å; L396-G398 VanDerWaalsContact O-N 3.12Å; L396-L399 HydrophobicContact CD2-CB 4.49Å; L396-L399 HydrophobicContact CD2-CD1 3.98Å; L396-L399 PolarHBondContact O-N 3.12Å |
| 397 | G | 39.5 | Very low | 42.2 | Very low | 68 Ų | 68 | 135.9 Ų | 135.9 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -62 | -18.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | P394 L399 | P394-G397 PolarHBondContact O-N 3.34Å; G397-L399 PolarHBondContact O-N 2.83Å |
| 398 | G | 44.5 | Very low | 42.1 | Very low | 76 Ų | 76 | 134.6 Ų | 134.6 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -71.8 | -20.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L396 | L396-G398 PolarHBondContact O-N 3.48Å; L396-G398 VanDerWaalsContact O-N 3.12Å |
| 399 | L | 46.1 | Very low | 41.6 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -99.4 | -8.3 | -174.9 | -87.3 | 160.5 | 0 | 0 | 0 | 114.5 | L396 G397 R401 | L396-L399 HydrophobicContact CD2-CB 4.49Å; L396-L399 HydrophobicContact CD2-CD1 3.98Å; L396-L399 PolarHBondContact O-N 3.12Å; G397-L399 PolarHBondContact O-N 2.83Å; L399-R401 PolarHBondContact O-N 3.43Å |
| 400 | G | 44.4 | Very low | 40.6 | Very low | 55 Ų | 55 | 138.5 Ų | 138.5 | 57% | 0.567 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -65.2 | -19 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L402 L403 | G400-L402 PolarHBondContact O-N 3.14Å; G400-L402 VanDerWaalsContact O-N 3.14Å; G400-L403 PolarHBondContact O-N 3.19Å |
| 401 | R | 47 | Very low | 40.5 | Very low | 250 Ų | 250 | 137.4 Ų | 137.4 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | G | 310 helix | trans | -77.5 | 7.4 | -175.9 | -125.9 | 178.7 | -161 | -127.2 | 3.6 | 115.2 | L399 | L399-R401 PolarHBondContact O-N 3.43Š|
| 402 | L | 49.4 | Very low | 40.2 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -96 | -10 | 174.7 | -146.7 | 86.1 | 0 | 0 | 0 | 113.8 | G400 | G400-L402 PolarHBondContact O-N 3.14Å; G400-L402 VanDerWaalsContact O-N 3.14Å |
| 403 | L | 50.1 | Low | 39.8 | Very low | 154 Ų | 154 | 139 Ų | 139 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -120.5 | 97.1 | 178.4 | -69.5 | 172.9 | 0 | 0 | 0 | 109.5 | G400 V405 | G400-L403 PolarHBondContact O-N 3.19Å; L403-V405 PolarHBondContact O-N 3.45Å |
| 404 | G | 45.2 | Very low | 39.8 | Very low | 85 Ų | 85 | 137.9 Ų | 137.9 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | trans | -74.5 | 113.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 405 | V | 37.1 | Very low | 39.6 | Very low | 140 Ų | 140 | 143 Ų | 143 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -131.4 | 139.5 | 162.8 | -176 | 0 | 0 | 0 | 0 | 108.5 | L403 | L403-V405 PolarHBondContact O-N 3.45Š| ||
| 406 | Q | 31 | Very low | 39.2 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -88.1 | 156.4 | -176.8 | -57.3 | -179.3 | 5.6 | 0 | 0 | 111 | ||||
| 407 | S | 29.3 | Very low | 38.7 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | 155.7 | 179.1 | 80.9 | 54.3 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 408 | P | 39.8 | Very low | 38.6 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | cis | -120.4 | -173.2 | -17.3 | 21.2 | 2.8 | 0 | 0 | 0 | 112.9 | ||||
| 409 | N | 29.5 | Very low | 38.2 | Very low | 150 Ų | 150 | 150.3 Ų | 150.3 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | trans | -84.8 | 160.2 | -177.2 | -60.9 | -57.7 | 0 | 0 | 0 | 114.6 | ||||
| 410 | F | 28.9 | Very low | 37.8 | Very low | 207 Ų | 207 | 155.5 Ų | 155.5 | 91% | 0.908 | 83% | 0.828 | S | S | * | * | -163.3 | 169.9 | 125.5 | -97.2 | -50.3 | 0 | 0 | 0 | 110.8 | |||||
| 411 | P | 36.4 | Very low | 37.5 | Very low | 121 Ų | 121 | 165 Ų | 165 | 79% | 0.786 | 85% | 0.847 | S | S | * | * | -113.5 | 174.3 | -124.1 | 42.4 | -35 | 0 | 0 | 0 | 118.1 | |||||
| 412 | R | 35.8 | Very low | 36.7 | Very low | 251 Ų | 251 | 164.6 Ų | 164.6 | 95% | 0.947 | 85% | 0.845 | S | S | * | * | trans | -76.7 | 148.6 | 179.6 | -72 | 173.6 | 165.6 | 156.8 | -4.3 | 115.1 | ||||
| 413 | S | 28.3 | Very low | 36.3 | Very low | 118 Ų | 118 | 163.2 Ų | 163.2 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | trans | -163.4 | 140.4 | 147.8 | -164.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 414 | S | 33.5 | Very low | 35.6 | Very low | 108 Ų | 108 | 159.8 Ų | 159.8 | 76% | 0.755 | 85% | 0.848 | S | S | * | * | cis | -147.2 | -179.8 | -9.7 | 57.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 415 | R | 40 | Very low | 34.9 | Very low | 227 Ų | 227 | 160.4 Ų | 160.4 | 86% | 0.857 | 85% | 0.845 | S | S | * | * | trans | -97.7 | 161.4 | 167.7 | -65.9 | 173.5 | 169.4 | 168.6 | -6.2 | 108.6 | ||||
| 416 | V | 36.7 | Very low | 34.8 | Very low | 132 Ų | 132 | 160 Ų | 160 | 80% | 0.8 | 85% | 0.845 | S | S | * | * | 177.8 | -179.2 | 66.3 | -88 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 417 | P | 40.1 | Very low | 34.8 | Very low | 114 Ų | 114 | 160.1 Ų | 160.1 | 74% | 0.74 | 85% | 0.85 | S | S | * | * | cis | -128.7 | -178.8 | -34.9 | 33.3 | -15.1 | 0 | 0 | 0 | 113.1 | ||||
| 418 | L | 37.5 | Very low | 34.8 | Very low | 171 Ų | 171 | 161.4 Ų | 161.4 | 90% | 0.895 | 85% | 0.849 | S | S | * | * | trans | -74.7 | 146.8 | 164.4 | -71.6 | 162.3 | 0 | 0 | 0 | 112.2 | ||||
| 419 | L | 36.5 | Very low | 34.4 | Very low | 181 Ų | 181 | 165.3 Ų | 165.3 | 95% | 0.948 | 85% | 0.847 | S | S | * | * | trans | -116.3 | 147.8 | 159.4 | -94.5 | 173.7 | 0 | 0 | 0 | 111.6 | ||||
| 420 | R | 37.1 | Very low | 34.3 | Very low | 239 Ų | 239 | 166.8 Ų | 166.8 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | trans | -112 | 134.5 | -163 | -171.3 | 178.9 | -173.4 | 172.7 | 1.8 | 110.2 | ||||
| 421 | R | 37.3 | Very low | 34.8 | Very low | 255 Ų | 255 | 161.9 Ų | 161.9 | 96% | 0.962 | 84% | 0.836 | S | S | * | * | trans | -50.1 | 140.8 | 174.2 | -89.8 | -175.7 | 172.1 | 178.5 | -1.7 | 111.5 | ||||
| 422 | R | 31.1 | Very low | 34.6 | Very low | 241 Ų | 241 | 164.4 Ų | 164.4 | 91% | 0.909 | 84% | 0.842 | S | S | * | * | trans | -133 | 132.5 | 161.6 | -155.7 | 179.1 | -160.8 | -160.7 | 4.9 | 108.8 | ||||
| 423 | P | 40.3 | Very low | 34.2 | Very low | 126 Ų | 126 | 162.9 Ų | 162.9 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | -88.5 | 151.7 | -177.6 | 34.2 | -34.5 | 0 | 0 | 0 | 112.9 | ||||
| 424 | G | 36 | Very low | 34.4 | Very low | 83 Ų | 83 | 165.4 Ų | 165.4 | 86% | 0.856 | 84% | 0.841 | S | S | * | * | trans | 94.5 | 93.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 425 | A | 30.2 | Very low | 34.1 | Very low | 98 Ų | 98 | 169 Ų | 169 | 81% | 0.81 | 85% | 0.846 | S | S | * | * | trans | -160.1 | 152.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 426 | P | 34.6 | Very low | 34.3 | Very low | 130 Ų | 130 | 163 Ų | 163 | 84% | 0.844 | 84% | 0.836 | S | S | * | * | trans | -87.3 | 155.8 | -171.6 | 34.4 | -35.9 | 0 | 0 | 0 | 114.2 | ||||
| 427 | L | 32.1 | Very low | 33.7 | Very low | 180 Ų | 180 | 166.1 Ų | 166.1 | 94% | 0.942 | 84% | 0.842 | S | S | * | * | trans | -99.2 | 134.8 | 169.5 | -69.7 | 173.3 | 0 | 0 | 0 | 110.8 | ||||
| 428 | N | 30 | Very low | 33.2 | Very low | 134 Ų | 134 | 165 Ų | 165 | 72% | 0.717 | 84% | 0.843 | S | S | * | * | trans | -155.2 | 116.6 | 171.9 | -170.3 | 5 | 0 | 0 | 0 | 112.1 | ||||
| 429 | R | 31.1 | Very low | 33.4 | Very low | 205 Ų | 205 | 162.8 Ų | 162.8 | 77% | 0.774 | 84% | 0.838 | S | S | * | * | trans | 60.9 | 148.8 | 169.8 | -74.6 | 170.4 | 174.6 | -179.1 | -2 | 115.9 | ||||
| 430 | F | 27.7 | Very low | 33 | Very low | 181 Ų | 181 | 158.6 Ų | 158.6 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | -147.9 | -178.3 | 50.7 | -100 | -64 | 0 | 0 | 0 | 112.8 | |||||
| 431 | P | 39.3 | Very low | 32.6 | Very low | 105 Ų | 105 | 153.8 Ų | 153.8 | 68% | 0.682 | 82% | 0.822 | S | S | * | * | -117.9 | 175.4 | -126 | 44.6 | -33.4 | 0 | 0 | 0 | 116.5 | |||||
| 432 | L | 30.8 | Very low | 32.7 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -78.5 | 150.5 | 162.8 | -68.5 | 166.7 | 0 | 0 | 0 | 111.6 | ||||
| 433 | Y | 28.8 | Very low | 32.5 | Very low | 220 Ų | 220 | 140.9 Ų | 140.9 | 86% | 0.863 | 80% | 0.8 | S | S | * | * | trans | -97.7 | 116.1 | 172.9 | -100 | -91.6 | 0 | 0 | 0 | 111.4 | ||||
| 434 | L | 32 | Very low | 32 | Very low | 171 Ų | 171 | 143.5 Ų | 143.5 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | -143.2 | 143.5 | 153 | -79.6 | 179.9 | 0 | 0 | 0 | 108.6 | ||||
| 435 | H | 27.4 | Very low | 31.5 | Very low | 183 Ų | 183 | 144 Ų | 144 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | -135.3 | 162 | 179 | -120.8 | 6.2 | 0 | 0 | 0 | 109.3 | ||||
| 436 | P | 43 | Very low | 31.3 | Very low | 102 Ų | 102 | 151.2 Ų | 151.2 | 66% | 0.662 | 80% | 0.804 | S | S | * | * | -129.8 | -174.3 | -128.2 | 42.5 | -27.1 | 0 | 0 | 0 | 113.3 | |||||
| 437 | E | 25.7 | Very low | 30.7 | Very low | 196 Ų | 196 | 155.6 Ų | 155.6 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -160 | 147.6 | 136.9 | -118.6 | 168.6 | -148.7 | 0 | 0 | 112.4 | ||||
| 438 | A | 29.6 | Very low | 31.1 | Very low | 92 Ų | 92 | 152.2 Ų | 152.2 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -166.6 | 136 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 439 | P | 40.9 | Very low | 30.9 | Very low | 123 Ų | 123 | 152.6 Ų | 152.6 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -146.4 | 164.1 | 132.4 | 30.1 | -12 | 0 | 0 | 0 | 113.5 | ||||
| 440 | S | 28.8 | Very low | 30.7 | Very low | 93 Ų | 93 | 149.1 Ų | 149.1 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | cis | 173.6 | 100.3 | -33.7 | 51.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 441 | T | 27.1 | Very low | 30.6 | Very low | 139 Ų | 139 | 147.8 Ų | 147.8 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | 64.4 | 174.4 | 152.8 | 71.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 442 | P | 41 | Very low | 30 | Very low | 103 Ų | 103 | 148.6 Ų | 148.6 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | cis | -136 | 177.4 | -7.7 | 28.8 | -5.4 | 0 | 0 | 0 | 117.9 | ||||
| 443 | T | 26.5 | Very low | 29.7 | Very low | 122 Ų | 122 | 150.8 Ų | 150.8 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 88.8 | 132.1 | 140.7 | 29.8 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 444 | Q | 29.4 | Very low | 29.7 | Very low | 181 Ų | 181 | 147.4 Ų | 147.4 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | 81.5 | 89.1 | 143.4 | -71.4 | -175.4 | 7 | 0 | 0 | 124.6 | ||||
| 445 | A | 25.1 | Very low | 30.9 | Very low | 93 Ų | 93 | 144 Ų | 144 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | 45.5 | 123.8 | 115.2 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 446 | R | 25.3 | Very low | 30.9 | Very low | 249 Ų | 249 | 141.6 Ų | 141.6 | 94% | 0.94 | 76% | 0.761 | S | S | * | * | -175.2 | 152.6 | 119.6 | -101 | 169.2 | -172.7 | -179.2 | 3.3 | 113.6 | |||||
| 447 | Y | 24 | Very low | 30.4 | Very low | 223 Ų | 223 | 146.4 Ų | 146.4 | 88% | 0.875 | 77% | 0.768 | S | S | * | * | trans | -99 | -180 | 166.2 | -80.3 | -80.2 | 0 | 0 | 0 | 109.7 | ||||
| 448 | P | 40.1 | Very low | 30.7 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | cis | -135.6 | -176 | 1.8 | 34.6 | -13 | 0 | 0 | 0 | 116.6 | ||||
| 449 | L | 26.2 | Very low | 30.9 | Very low | 141 Ų | 141 | 144.9 Ų | 144.9 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | 125.2 | 125.6 | 121.7 | -147.4 | 79.1 | 0 | 0 | 0 | 118.6 | |||||
| 450 | N | 24.8 | Very low | 30.4 | Very low | 133 Ų | 133 | 143.6 Ų | 143.6 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | 64.6 | 153.5 | 160.2 | -70.5 | 3.9 | 0 | 0 | 0 | 118.6 | ||||
| 451 | Q | 26.8 | Very low | 30.4 | Very low | 153 Ų | 153 | 146 Ų | 146 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | cis | -151.3 | 151.2 | 6.2 | -158.5 | 161.7 | -33.3 | 0 | 0 | 114.5 | ||||
| 452 | D | 25.7 | Very low | 30.7 | Very low | 122 Ų | 122 | 145 Ų | 145 | 65% | 0.652 | 75% | 0.754 | S | S | * | * | trans | 42.7 | 132.4 | 154.1 | -67.8 | -31.4 | 0 | 0 | 0 | 125.8 | ||||
| 453 | R | 26.1 | Very low | 30.3 | Very low | 219 Ų | 219 | 145.7 Ų | 145.7 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | 66 | 110.1 | 138.2 | -70.4 | 176.9 | 170.2 | -178.5 | -4.2 | 123.3 | ||||
| 454 | D | 27.7 | Very low | 30.3 | Very low | 148 Ų | 148 | 148.5 Ų | 148.5 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | 34.5 | 151 | 102.5 | -71 | -12.7 | 0 | 0 | 0 | 122 | |||||
| 455 | P | 57.3 | Low | 30.4 | Very low | 99 Ų | 99 | 149.4 Ų | 149.4 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | cis | -145.1 | -148.5 | -37.1 | 39.3 | -17.4 | 0 | 0 | 0 | 112.8 | ||||
| 456 | D | 27.5 | Very low | 30.5 | Very low | 134 Ų | 134 | 153.2 Ų | 153.2 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | trans | 88.8 | 159 | 154.5 | -66.6 | -30.3 | 0 | 0 | 0 | 123.3 | ||||
| 457 | Y | 32.8 | Very low | 30.6 | Very low | 203 Ų | 203 | 152.9 Ų | 152.9 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | 68.4 | 129.4 | 179.3 | -69 | -94.3 | 0 | 0 | 0 | 116.7 | F459 | Y457-F459 HydrophobicContact CD1-CD2 4.39Š| ||
| 458 | A | 32.9 | Very low | 31.1 | Very low | 80 Ų | 80 | 147.5 Ų | 147.5 | 66% | 0.661 | 76% | 0.756 | S | S | * | * | cis | 72.5 | 144.8 | 33.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 459 | F | 33.8 | Very low | 30.6 | Very low | 175 Ų | 175 | 146 Ų | 146 | 77% | 0.768 | 76% | 0.76 | S | S | * | * | cis | -162 | 172.7 | 39.1 | -131.3 | -77.9 | 0 | 0 | 0 | 113 | Y457 | Y457-F459 HydrophobicContact CD1-CD2 4.39Š| ||
| 460 | S | 29.8 | Very low | 30.8 | Very low | 96 Ų | 96 | 148.8 Ų | 148.8 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | trans | 53.1 | 125.6 | 148.7 | 56.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 461 | T | 29.3 | Very low | 31.1 | Very low | 143 Ų | 143 | 153.9 Ų | 153.9 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -80.3 | 157.8 | 151.6 | 46.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 462 | V | 32.4 | Very low | 31.4 | Very low | 119 Ų | 119 | 151.9 Ų | 151.9 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | trans | -126.4 | 133.3 | 176.4 | -179.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 463 | P | 32.4 | Very low | 31.7 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | -84.6 | 130.7 | 172.4 | 32.9 | -32 | 0 | 0 | 0 | 111.6 | ||||
| 464 | M | 27.9 | Very low | 32 | Very low | 181 Ų | 181 | 147 Ų | 147 | 89% | 0.892 | 79% | 0.785 | S | S | * | * | trans | -84.6 | 149.2 | 171.7 | -76 | -68.1 | -176.3 | 0 | 0 | 111.8 | ||||
| 465 | Y | 30.8 | Very low | 32.1 | Very low | 199 Ų | 199 | 149.3 Ų | 149.3 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | trans | -115 | 146.8 | 174.1 | -117.5 | -75.3 | 0 | 0 | 0 | 110.9 | ||||
| 466 | E | 26.1 | Very low | 31 | Very low | 174 Ų | 174 | 150.6 Ų | 150.6 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -71 | 142.6 | 178.3 | -54.7 | 161.3 | 91.5 | 0 | 0 | 112.9 | ||||
| 467 | R | 28.3 | Very low | 31.2 | Very low | 241 Ų | 241 | 150.3 Ų | 150.3 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | -163.7 | 169.3 | 126.3 | -112.4 | -163.8 | 164 | 169 | -2.8 | 112.3 | |||||
| 468 | P | 35.6 | Very low | 31.2 | Very low | 111 Ų | 111 | 148 Ų | 148 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | -98 | 154.9 | -117.5 | 38.5 | -36.1 | 0 | 0 | 0 | 114.4 | |||
| 469 | G | 28.8 | Very low | 31 | Very low | 76 Ų | 76 | 152.3 Ų | 152.3 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 157.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 470 | F | 30.5 | Very low | 30.8 | Very low | 201 Ų | 201 | 149.4 Ų | 149.4 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 152.1 | 173.7 | -80.4 | -111.1 | 0 | 0 | 0 | 111.9 | S472 | F470-S472 PolarHBondContact O-N 3.32Š|
| 471 | Y | 30.9 | Very low | 31.3 | Very low | 239 Ų | 239 | 151.4 Ų | 151.4 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 122.3 | 161.9 | -92.6 | -97.7 | 0 | 0 | 0 | 110.2 | ||
| 472 | S | 32.8 | Very low | 31.4 | Very low | 112 Ų | 112 | 149.8 Ų | 149.8 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -127.4 | 111.4 | 166.4 | -70.2 | 0 | 0 | 0 | 0 | 108.9 | F470 | F470-S472 PolarHBondContact O-N 3.32Š| ||
| 473 | C | 33 | Very low | 31.5 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 151.9 | 171.8 | -110.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 474 | P | 31.6 | Very low | 31.5 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 146.9 | -178.8 | 28 | -34.9 | 0 | 0 | 0 | 112.3 | ||
| 475 | Q | 30.7 | Very low | 31.6 | Very low | 197 Ų | 197 | 147.3 Ų | 147.3 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 133.5 | 173.4 | -68.8 | 176.1 | -27.8 | 0 | 0 | 110.6 | ||
| 476 | T | 33.8 | Very low | 31.7 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 154.8 | 173.5 | 47 | 0 | 0 | 0 | 0 | 111.8 | ||
| 477 | P | 31 | Very low | 32.1 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 149.3 | -176.2 | -21.1 | 34.2 | 0 | 0 | 0 | 114.1 | ||
| 478 | I | 32.4 | Very low | 32.3 | Very low | 155 Ų | 155 | 141 Ų | 141 | 80% | 0.795 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 123.1 | 178.2 | -58.2 | 167.4 | 0 | 0 | 0 | 109.6 | ||
| 479 | H | 28.6 | Very low | 32 | Very low | 170 Ų | 170 | 147 Ų | 147 | 79% | 0.787 | 82% | 0.821 | S | S | * | * | -176.7 | 161 | 126.3 | -114.2 | -89.7 | 0 | 0 | 0 | 115.3 | |||||
| 480 | C | 31.2 | Very low | 32 | Very low | 115 Ų | 115 | 152.2 Ų | 152.2 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | trans | 80.2 | 153.4 | 165.9 | -64.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 481 | V | 38.4 | Very low | 32.3 | Very low | 137 Ų | 137 | 148.2 Ų | 148.2 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | trans | -125.6 | 134.2 | -150.5 | 176.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 482 | P | 31.3 | Very low | 32.2 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 71% | 0.714 | 82% | 0.818 | S | S | * | * | trans | -92.6 | 161.7 | 169.9 | 35.7 | -32.8 | 0 | 0 | 0 | 113.7 | ||||
| 483 | P | 35.1 | Very low | 32 | Very low | 137 Ų | 137 | 154.9 Ų | 154.9 | 89% | 0.89 | 83% | 0.825 | S | S | * | * | trans | -82.9 | -176.2 | -172 | 34.9 | -37.9 | 0 | 0 | 0 | 115 | ||||
| 484 | A | 31.8 | Very low | 31.8 | Very low | 89 Ų | 89 | 155.6 Ų | 155.6 | 74% | 0.736 | 83% | 0.825 | S | S | * | * | trans | -115.1 | 169.7 | -162.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 485 | V | 30.4 | Very low | 31.6 | Very low | 139 Ų | 139 | 158.4 Ų | 158.4 | 84% | 0.842 | 83% | 0.829 | S | S | * | * | trans | 78.9 | 142.3 | 166 | -170 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 486 | P | 34.1 | Very low | 31.6 | Very low | 118 Ų | 118 | 154.8 Ų | 154.8 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | cis | -119.1 | 178.3 | -18.8 | 34.3 | -18.1 | 0 | 0 | 0 | 114.2 | ||||
| 487 | R | 33.2 | Very low | 31.3 | Very low | 237 Ų | 237 | 155.3 Ų | 155.3 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | trans | -127.5 | 147.2 | 157.9 | -106.5 | -172.7 | 179.5 | -177.1 | 1.3 | 111.1 | ||||
| 488 | P | 32.1 | Very low | 31.2 | Very low | 128 Ų | 128 | 160 Ų | 160 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | trans | -69.3 | 160.2 | 177.6 | -18.7 | 32.8 | 0 | 0 | 0 | 114 | ||||
| 489 | R | 30.2 | Very low | 31 | Very low | 235 Ų | 235 | 158.5 Ų | 158.5 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | -101.1 | 147.3 | 172 | -68.5 | 176 | 173.8 | 156.9 | -2.8 | 111.1 | ||||
| 490 | H | 29.3 | Very low | 31 | Very low | 187 Ų | 187 | 160.3 Ų | 160.3 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | -143.3 | 166.1 | 150 | -96.9 | -71.5 | 0 | 0 | 0 | 109.5 | ||||
| 491 | P | 35.4 | Very low | 30.8 | Very low | 116 Ų | 116 | 160.1 Ų | 160.1 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | -95.1 | 164.9 | -134.5 | 35.3 | -38.9 | 0 | 0 | 0 | 117.5 | ||||
| 492 | R | 29.6 | Very low | 30.3 | Very low | 246 Ų | 246 | 159.1 Ų | 159.1 | 93% | 0.928 | 80% | 0.803 | S | S | * | * | trans | -63.1 | 148.7 | 171.8 | -75.6 | 175.2 | 164 | 168.3 | -7.4 | 113.1 | ||||
| 493 | R | 28.7 | Very low | 30.1 | Very low | 245 Ų | 245 | 159.4 Ų | 159.4 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | trans | -131.3 | 173 | 136.4 | -142.6 | 171.2 | -177.1 | 172.4 | 0.4 | 109.5 | ||||
| 494 | T | 29.7 | Very low | 29.9 | Very low | 137 Ų | 137 | 157.9 Ų | 157.9 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -97.7 | 169.5 | -150.3 | 40.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 495 | Q | 27.4 | Very low | 29.7 | Very low | 176 Ų | 176 | 162 Ų | 162 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -84.9 | -177 | -173 | -175.9 | 173.4 | -27.3 | 0 | 0 | 112.9 | ||||
| 496 | N | 30.1 | Very low | 29.6 | Very low | 121 Ų | 121 | 159.8 Ų | 159.8 | 65% | 0.647 | 80% | 0.802 | S | S | * | * | trans | 94.9 | 136 | 173.8 | -63.3 | 52 | 0 | 0 | 0 | 114.2 | ||||
| 497 | D | 28.1 | Very low | 30.1 | Very low | 136 Ų | 136 | 159.7 Ų | 159.7 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | cis | -148.6 | -178.4 | -4.1 | -104.6 | -32.9 | 0 | 0 | 0 | 112.8 | ||||
| 498 | W | 28.4 | Very low | 29.9 | Very low | 225 Ų | 225 | 157.3 Ų | 157.3 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | trans | -90.4 | 160.8 | -168.6 | -79.6 | 77.7 | 0 | 0 | 0 | 116.7 | ||||
| 499 | E | 28.1 | Very low | 29.8 | Very low | 125 Ų | 125 | 156.7 Ų | 156.7 | 58% | 0.584 | 79% | 0.794 | S | S | * | * | trans | 82.4 | 136.6 | 143.6 | -93.9 | -179.3 | -115.3 | 0 | 0 | 124 | ||||
| 500 | R | 28.5 | Very low | 29.8 | Very low | 207 Ų | 207 | 152.7 Ų | 152.7 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | trans | 60.9 | 130.6 | 156.9 | -59.9 | 177.9 | -153.4 | -132.4 | -3.3 | 118.3 | ||||
| 501 | S | 28 | Very low | 29.7 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | cis | 98.8 | 133.6 | 31.1 | -67.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 502 | C | 27.4 | Very low | 29.5 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | 78.6 | 101.1 | 158.9 | -61.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 503 | S | 27.7 | Very low | 29.5 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | 72.1 | 132.5 | 112.3 | -51.6 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 504 | S | 29.3 | Very low | 29.6 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | 110.9 | 119 | 130.6 | -150.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 505 | M | 28 | Very low | 29.5 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | 51.7 | 107.7 | 145.3 | -67 | -175.8 | 164.2 | 0 | 0 | 122.7 | ||||
| 506 | A | 28.8 | Very low | 29.8 | Very low | 93 Ų | 93 | 135.1 Ų | 135.1 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | 39.6 | 162.9 | 99.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 507 | P | 45.3 | Very low | 30.4 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | cis | -133.1 | 179.2 | -20.4 | 38.8 | -22.2 | 0 | 0 | 0 | 114.3 | ||||
| 508 | Q | 27.6 | Very low | 30.3 | Very low | 188 Ų | 188 | 134.3 Ų | 134.3 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | -177.3 | 159.8 | 154.3 | -101 | 167.6 | 34.9 | 0 | 0 | 108.5 | ||||
| 509 | T | 29.8 | Very low | 30.6 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | -177.9 | 115.6 | -51.7 | 30.6 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 510 | V | 31.5 | Very low | 31.5 | Very low | 151 Ų | 151 | 128.1 Ų | 128.1 | 92% | 0.915 | 77% | 0.767 | S | S | * | * | trans | 45.2 | 120.9 | 146.7 | -170.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 511 | G | 26.4 | Very low | 31.5 | Very low | 71 Ų | 71 | 124.7 Ų | 124.7 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | trans | 99.1 | 157 | 144 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 512 | S | 31.3 | Very low | 31.9 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | cis | -168.3 | 153.5 | -13.4 | -161.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 513 | Q | 30.2 | Very low | 32.4 | Very low | 175 Ų | 175 | 130.4 Ų | 130.4 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 62.1 | 174.1 | 163.8 | -69.7 | 168.6 | 11.3 | 0 | 0 | 117.6 | ||||
| 514 | L | 29.4 | Very low | 33 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | -162.3 | 164.9 | -54.6 | -155.6 | 74.7 | 0 | 0 | 0 | 109 | |||||
| 515 | L | 27.7 | Very low | 33.8 | Very low | 161 Ų | 161 | 131 Ų | 131 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 76.5 | 145 | 163 | -71.1 | 157.9 | 0 | 0 | 0 | 120.4 | ||||
| 516 | A | 34.1 | Very low | 34.3 | Very low | 83 Ų | 83 | 128.4 Ų | 128.4 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | trans | -108.1 | -179.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 517 | P | 43.3 | Very low | 35.1 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | -154.8 | -165.8 | 97.8 | 38.6 | -17.7 | 0 | 0 | 0 | 115.6 | |||||
| 518 | D | 25.7 | Very low | 34.4 | Very low | 132 Ų | 132 | 130 Ų | 130 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | 71.2 | 113.4 | 159.6 | -61.5 | -34.9 | 0 | 0 | 0 | 119.4 | ||||
| 519 | T | 33.9 | Very low | 34.6 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | 85.4 | 155.9 | 53.5 | 68.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 520 | P | 47.2 | Very low | 34.5 | Very low | 99 Ų | 99 | 126 Ų | 126 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | cis | -133.4 | -169.5 | -45.1 | 37.7 | -21.2 | 0 | 0 | 0 | 114.3 | ||||
| 521 | N | 29.9 | Very low | 34.8 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | 89.2 | 106.6 | 161.6 | -57.2 | -28.9 | 0 | 0 | 0 | 120.6 | ||||
| 522 | H | 35.8 | Very low | 35.5 | Very low | 196 Ų | 196 | 130.6 Ų | 130.6 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | -161 | 149.9 | 112 | -108.8 | -82.9 | 0 | 0 | 0 | 110.5 | |||||
| 523 | L | 37.4 | Very low | 35.4 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | trans | -100.8 | 176.4 | -175 | -63.9 | 114 | 0 | 0 | 0 | 111.7 | ||||
| 524 | P | 41.3 | Very low | 35.4 | Very low | 116 Ų | 116 | 135 Ų | 135 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | cis | -127 | -178 | 0.1 | 22.4 | 3.5 | 0 | 0 | 0 | 114.6 | ||||
| 525 | P | 45.9 | Very low | 35.2 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | -92.5 | 154.4 | -174.8 | 35.9 | -36.3 | 0 | 0 | 0 | 115.9 | ||||
| 526 | P | 37.8 | Very low | 35.1 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | -88.3 | 155.4 | 165.7 | 35.4 | -33.4 | 0 | 0 | 0 | 113.2 | ||||
| 527 | P | 45 | Very low | 34.8 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -104.5 | -176 | -170.9 | 41.2 | -37 | 0 | 0 | 0 | 115.2 | ||||
| 528 | S | 31.1 | Very low | 34 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -89.1 | 146.4 | -174.7 | -48.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 529 | S | 32.1 | Very low | 34.1 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | 69.7 | 150 | 144.8 | 65.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 530 | A | 27.8 | Very low | 33.9 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | 93.2 | 141.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 531 | F | 36.6 | Very low | 33 | Very low | 195 Ų | 195 | 139.6 Ų | 139.6 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | trans | -90.6 | 154.2 | 171.5 | -63.1 | -100.6 | 0 | 0 | 0 | 110.9 | ||||
| 532 | P | 42.1 | Very low | 32.9 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | -147.9 | 179.9 | 112.5 | 27.5 | -6.9 | 0 | 0 | 0 | 113.7 | |||||
| 533 | W | 29.1 | Very low | 32.7 | Very low | 222 Ų | 222 | 132.5 Ų | 132.5 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | cis | 149.3 | 166.9 | -25.6 | -118.3 | 72.2 | 0 | 0 | 0 | 110.5 | ||||
| 534 | L | 30.2 | Very low | 32.8 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | 75.3 | 151.6 | 173 | -60.3 | 170 | 0 | 0 | 0 | 117.4 | ||||
| 535 | C | 25.8 | Very low | 32.2 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | cis | -168 | 170.2 | -29.9 | -153.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 536 | G | 25.5 | Very low | 31.3 | Very low | 66 Ų | 66 | 133.9 Ų | 133.9 | 68% | 0.68 | 81% | 0.81 | S | S | * | * | trans | 97.9 | 141.8 | 164 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 537 | E | 26.2 | Very low | 31 | Very low | 203 Ų | 203 | 133 Ų | 133 | 95% | 0.949 | 81% | 0.806 | S | S | * | * | cis | -152.8 | 166.8 | -9.7 | -76.4 | -165 | 129.5 | 0 | 0 | 109.6 | ||||
| 538 | G | 27.1 | Very low | 30.3 | Very low | 79 Ų | 79 | 136.3 Ų | 136.3 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | trans | 115.5 | 132.9 | 154.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 539 | E | 28.4 | Very low | 30.7 | Very low | 199 Ų | 199 | 136.5 Ų | 136.5 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | -93.1 | 175.9 | 170.3 | -47.2 | 172.3 | 103.8 | 0 | 0 | 109.8 | ||||
| 540 | S | 28.7 | Very low | 30.8 | Very low | 92 Ų | 92 | 138.4 Ų | 138.4 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | cis | -170.7 | 156.6 | 21.6 | 54.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 541 | Q | 28.5 | Very low | 31.2 | Very low | 184 Ų | 184 | 139.7 Ų | 139.7 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | 62.2 | 151.6 | 154.6 | -67.8 | 177.9 | 37.8 | 0 | 0 | 119.8 | ||||
| 542 | S | 27.8 | Very low | 30.8 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | cis | -165.1 | 114.1 | -11.6 | 49 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 543 | G | 32.9 | Very low | 31.3 | Very low | 78 Ų | 78 | 135 Ų | 135 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 57.6 | -177.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 544 | P | 39.6 | Very low | 31.4 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | cis | -108.2 | 143.3 | -38.6 | 37.1 | -25.9 | 0 | 0 | 0 | 111.2 | ||||
| 545 | A | 28.6 | Very low | 31.2 | Very low | 88 Ų | 88 | 132.9 Ų | 132.9 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | cis | 78.8 | 102.5 | 48.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 546 | F | 27.3 | Very low | 31.4 | Very low | 201 Ų | 201 | 132.2 Ų | 132.2 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | -153.5 | 130.6 | 144 | -124.8 | -78.4 | 0 | 0 | 0 | 109.6 | ||||
| 547 | S | 29.9 | Very low | 32.8 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | -149.5 | 158.7 | -169.1 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 548 | F | 30.9 | Very low | 33 | Very low | 200 Ų | 200 | 132.3 Ų | 132.3 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -132.9 | 126.8 | 166.5 | -84 | -81.8 | 0 | 0 | 0 | 110.8 | ||||
| 549 | P | 40.2 | Very low | 33.2 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | trans | -130.2 | 171.5 | 140.4 | 36.9 | -25.8 | 0 | 0 | 0 | 112.2 | ||||
| 550 | D | 33.3 | Very low | 33.4 | Very low | 160 Ų | 160 | 132 Ų | 132 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | -67.2 | 151 | -173.2 | -56 | -73.2 | 0 | 0 | 0 | 115.4 | ||||
| 551 | P | 36.2 | Very low | 33.3 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -108.1 | 148.8 | 162 | 37 | -29.3 | 0 | 0 | 0 | 113.8 | ||||
| 552 | A | 28.9 | Very low | 33.3 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -115.4 | 171.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 553 | P | 52 | Low | 34.1 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | -108.9 | 164.6 | -144.1 | 40.5 | -38 | 0 | 0 | 0 | 116.7 | ||||
| 554 | E | 30.6 | Very low | 33.9 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -169.5 | 166.8 | 148.3 | -109.9 | 170.7 | -155 | 0 | 0 | 108.9 | ||||
| 555 | L | 26.9 | Very low | 33.5 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | cis | -149.6 | 174.8 | 23.9 | -128.4 | 147.7 | 0 | 0 | 0 | 112.3 | ||||
| 556 | C | 29.8 | Very low | 33.5 | Very low | 109 Ų | 109 | 141 Ų | 141 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -102.8 | -154.8 | -167.7 | -42.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 557 | P | 56 | Low | 33.6 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | cis | -125 | -174.4 | 0.5 | 31.8 | -6.1 | 0 | 0 | 0 | 113.2 | ||||
| 558 | I | 29.9 | Very low | 33.6 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | cis | -165.2 | 154.1 | 42.2 | -67.9 | 172.9 | 0 | 0 | 0 | 106.2 | ||||
| 559 | S | 31 | Very low | 33.5 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | cis | -166.6 | -164.1 | -27.3 | 62.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 560 | K | 31.9 | Very low | 33.2 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 77% | 0.774 | 81% | 0.806 | S | S | * | * | cis | -164.8 | 151.1 | 7.5 | -139.6 | 172.7 | -177.3 | 176.6 | 0 | 110.2 | ||||
| 561 | L | 28 | Very low | 33.2 | Very low | 164 Ų | 164 | 148 Ų | 148 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | trans | 63.9 | 156.7 | 156.7 | -76.5 | 159.9 | 0 | 0 | 0 | 122 | ||||
| 562 | R | 26.9 | Very low | 33.5 | Very low | 231 Ų | 231 | 147.4 Ų | 147.4 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | trans | -148.4 | -172.1 | -169.2 | -135 | -168 | 163.9 | -171 | -2 | 106.2 | ||||
| 563 | P | 44.9 | Very low | 34.9 | Very low | 119 Ų | 119 | 148 Ų | 148 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | cis | -137.2 | -178.1 | -9.2 | 42 | -23.5 | 0 | 0 | 0 | 116.4 | ||||
| 564 | G | 28.7 | Very low | 35.2 | Very low | 73 Ų | 73 | 147.7 Ų | 147.7 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -173.9 | 148.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 565 | H | 31.2 | Very low | 36.3 | Very low | 205 Ų | 205 | 144.4 Ų | 144.4 | 95% | 0.949 | 79% | 0.793 | S | S | * | * | trans | -90.3 | 166.8 | 172.5 | -59.6 | -99.5 | 0 | 0 | 0 | 110.5 | ||||
| 566 | G | 28.1 | Very low | 37 | Very low | 69 Ų | 69 | 148.1 Ų | 148.1 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | cis | 156.6 | 165.7 | -6.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 567 | L | 29.8 | Very low | 37.3 | Very low | 168 Ų | 168 | 149.8 Ų | 149.8 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | trans | 68.8 | 139.8 | 162.2 | -76.6 | 172 | 0 | 0 | 0 | 122.9 | ||||
| 568 | L | 30 | Very low | 36.1 | Very low | 158 Ų | 158 | 149.6 Ų | 149.6 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | 91.1 | 117.7 | 144.7 | -76.5 | 165.7 | 0 | 0 | 0 | 124.3 | ||||
| 569 | S | 30 | Very low | 36.3 | Very low | 118 Ų | 118 | 149.4 Ų | 149.4 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | 100.6 | 151.3 | 135.5 | -147.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 570 | R | 32.8 | Very low | 36.3 | Very low | 234 Ų | 234 | 152.3 Ų | 152.3 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -122.5 | 148.7 | -177.6 | -65.9 | 170.6 | 162.2 | -171 | -5.5 | 109.9 | ||||
| 571 | R | 32.7 | Very low | 36.3 | Very low | 247 Ų | 247 | 149.2 Ų | 149.2 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | -179.7 | 169.5 | 120.4 | -101.4 | -164.1 | 164 | -175.8 | -4.1 | 113.6 | |||||
| 572 | P | 43.3 | Very low | 36.5 | Very low | 112 Ų | 112 | 148.9 Ų | 148.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -111.8 | -139.2 | -166 | 47 | -36.7 | 0 | 0 | 0 | 114.3 | ||||
| 573 | P | 58.5 | Low | 37.7 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -123.9 | -134.1 | -135.5 | 36.8 | -10.9 | 0 | 0 | 0 | 113.5 | ||||
| 574 | P | 59 | Low | 36.9 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | -99.2 | -131.9 | -79.8 | 40.3 | -23.9 | 0 | 0 | 0 | 110.9 | |||||
| 575 | P | 53.7 | Low | 36.9 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | cis | -130.5 | 166.2 | -40.5 | 38.8 | -22.5 | 0 | 0 | 0 | 117.2 | ||||
| 576 | R | 41.1 | Very low | 36.8 | Very low | 226 Ų | 226 | 141.1 Ų | 141.1 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | 63.2 | 138.9 | 145.3 | -88.3 | -169.3 | 178.4 | -157.3 | -0.1 | 125.9 | ||||
| 577 | L | 35.2 | Very low | 36.7 | Very low | 145 Ų | 145 | 143.6 Ų | 143.6 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | 73.3 | 154 | 154.9 | -61.1 | 164.5 | 0 | 0 | 0 | 117.8 | ||||
| 578 | T | 31.1 | Very low | 36.7 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 69% | 0.693 | 79% | 0.789 | S | S | * | * | cis | -156.9 | 156.3 | 10.9 | -19.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 579 | L | 35.4 | Very low | 37.5 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | 59.1 | 155.1 | 158.9 | -108.2 | 65.9 | 0 | 0 | 0 | 119 | ||||
| 580 | E | 29.8 | Very low | 37.3 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | cis | -149.1 | -166.6 | 10.4 | -150.2 | -167.8 | -107.1 | 0 | 0 | 107.9 | ||||
| 581 | T | 32.8 | Very low | 38.6 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | cis | -153.9 | -177.1 | 9.1 | -42.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 582 | L | 32.3 | Very low | 38.4 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -79 | 172 | 177.7 | -76.9 | 163.3 | 0 | 0 | 0 | 114.6 | ||||
| 583 | P | 50.3 | Low | 37.7 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | cis | -124.3 | -159.7 | 6.7 | 44.2 | -27.4 | 0 | 0 | 0 | 112.6 | ||||
| 584 | A | 28.6 | Very low | 36.3 | Very low | 91 Ų | 91 | 129.3 Ų | 129.3 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | cis | -155.7 | 153.8 | 6.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 585 | A | 29 | Very low | 34.9 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 29.1 | 125.5 | 148.1 | 0 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 586 | D | 29.1 | Very low | 33.8 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | trans | -67.5 | 163.8 | 169.4 | -49.5 | -97.5 | 0 | 0 | 0 | 117.2 | ||||
| 587 | S | 27.1 | Very low | 33.2 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | -171.5 | 147.1 | 121.7 | 25.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 588 | Q | 29.2 | Very low | 32.8 | Very low | 180 Ų | 180 | 127.1 Ų | 127.1 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | -98.8 | -177.3 | 164.2 | -100.2 | -161 | 7.8 | 0 | 0 | 109.7 | ||||
| 589 | P | 45.8 | Very low | 32.5 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | cis | -131.7 | -169.5 | -22.6 | 29.5 | -7.9 | 0 | 0 | 0 | 112.1 | ||||
| 590 | G | 26.6 | Very low | 32.1 | Very low | 72 Ų | 72 | 122.6 Ų | 122.6 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | 147.8 | 156 | 148.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 591 | P | 61.1 | Low | 32.2 | Very low | 117 Ų | 117 | 118.9 Ų | 118.9 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -126.9 | -170.4 | -171.9 | 38.3 | -19 | 0 | 0 | 0 | 115.3 | ||||
| 592 | L | 27.8 | Very low | 32.3 | Very low | 166 Ų | 166 | 121.7 Ų | 121.7 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | 77.7 | 154.8 | 175.4 | -47.3 | 168.1 | 0 | 0 | 0 | 114.1 | ||||
| 593 | S | 29 | Very low | 32.3 | Very low | 113 Ų | 113 | 126 Ų | 126 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | cis | -149.8 | 168.4 | -1 | -147.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 594 | A | 29.3 | Very low | 31.3 | Very low | 81 Ų | 81 | 124.6 Ų | 124.6 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | trans | -47.5 | 145.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 595 | R | 29.1 | Very low | 31.2 | Very low | 237 Ų | 237 | 128.8 Ų | 128.8 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | 85.3 | 106.1 | 118.4 | -172.3 | 178.4 | -169.6 | 173.8 | 4 | 122.5 | |||||
| 596 | A | 30.1 | Very low | 31.1 | Very low | 81 Ų | 81 | 128 Ų | 128 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | 90.1 | 165.6 | 127.5 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 597 | T | 27.5 | Very low | 31 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 92% | 0.92 | 79% | 0.789 | S | S | * | * | trans | 76 | 140 | -175 | 75.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 598 | G | 26.8 | Very low | 31.2 | Very low | 78 Ų | 78 | 129.6 Ų | 129.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | cis | 165.2 | 123.4 | -13.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 599 | G | 26.3 | Very low | 32.4 | Very low | 88 Ų | 88 | 126.6 Ų | 126.6 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | trans | 79.8 | 157.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 600 | G | 27.1 | Very low | 32.9 | Very low | 80 Ų | 80 | 125.9 Ų | 125.9 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | cis | 170.9 | 138.1 | -10.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 601 | G | 31.4 | Very low | 33.2 | Very low | 76 Ų | 76 | 126.9 Ų | 126.9 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | trans | 78.1 | 162.3 | 168 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 602 | E | 34.7 | Very low | 31.9 | Very low | 173 Ų | 173 | 129.4 Ų | 129.4 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | cis | -167 | 137 | -18.5 | -141.1 | 179.2 | -163.8 | 0 | 0 | 113.4 | V604 | E602-V604 HydrophobicContact CB-CG2 4.47Å; E602-V604 HydrophobicContact CG-CG2 3.78Å | ||
| 603 | R | 31.6 | Very low | 32.1 | Very low | 249 Ų | 249 | 127.6 Ų | 127.6 | 94% | 0.94 | 77% | 0.769 | S | S | * | * | trans | -168.1 | 78.9 | 161.8 | -69.4 | -161 | -177 | 169.7 | 1.2 | 108 | ||||
| 604 | V | 30.8 | Very low | 32.1 | Very low | 88 Ų | 88 | 127.2 Ų | 127.2 | 53% | 0.533 | 77% | 0.772 | S | S | . | * | 43.3 | 129.4 | 83.2 | -139.6 | 0 | 0 | 0 | 0 | 113.4 | E602 | E602-V604 HydrophobicContact CB-CG2 4.47Å; E602-V604 HydrophobicContact CG-CG2 3.78Å | |||
| 605 | F | 26.8 | Very low | 32.2 | Very low | 178 Ų | 178 | 127.8 Ų | 127.8 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | cis | -135.2 | 142.3 | 18.2 | -72.5 | -97.1 | 0 | 0 | 0 | 109.8 | ||||
| 606 | S | 26.6 | Very low | 32.8 | Very low | 84 Ų | 84 | 122.5 Ų | 122.5 | 59% | 0.587 | 77% | 0.774 | S | S | * | * | 66 | 126.3 | 63.8 | 72.1 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 607 | F | 26.6 | Very low | 32.9 | Very low | 189 Ų | 189 | 126.1 Ų | 126.1 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | -165.7 | 174.5 | 76.5 | -102 | -82.3 | 0 | 0 | 0 | 116.1 | |||||
| 608 | T | 31.9 | Very low | 33.6 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -147.9 | -163.2 | 176.7 | 62.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 609 | P | 53 | Low | 33.5 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | cis | -124.8 | -94.4 | -7.8 | 22.5 | 3.9 | 0 | 0 | 0 | 121.2 | ||||
| 610 | P | 57.4 | Low | 33.9 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | -137.9 | 176.7 | -127.7 | 44.5 | -26 | 0 | 0 | 0 | 121.4 | |||||
| 611 | S | 32.8 | Very low | 34.3 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | trans | 108.1 | 147.2 | 134 | 81.1 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 612 | H | 34.1 | Very low | 34.1 | Very low | 171 Ų | 171 | 134 Ų | 134 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | trans | 61.6 | 157.8 | 154.5 | -63.4 | -53.4 | 0 | 0 | 0 | 120.5 | ||||
| 613 | T | 31 | Very low | 33.7 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | cis | -166.3 | 151.8 | -12.7 | 19.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 614 | A | 29.6 | Very low | 33.6 | Very low | 104 Ų | 104 | 123.8 Ų | 123.8 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | trans | -168.9 | 148.5 | 144.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 615 | A | 30.7 | Very low | 33.7 | Very low | 93 Ų | 93 | 125.8 Ų | 125.8 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -143.9 | 160.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 616 | P | 40.9 | Very low | 33.9 | Very low | 126 Ų | 126 | 120.1 Ų | 120.1 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | -150 | 164.6 | 92 | 39.9 | -23 | 0 | 0 | 0 | 116.3 | |||||
| 617 | N | 32.7 | Very low | 33.9 | Very low | 157 Ų | 157 | 121.6 Ų | 121.6 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -90.2 | 160.5 | 158.1 | -92.3 | -19.7 | 0 | 0 | 0 | 108.6 | ||||
| 618 | P | 42.6 | Very low | 34.2 | Very low | 113 Ų | 113 | 120.3 Ų | 120.3 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | -153.1 | -161.3 | 51.3 | 41.3 | -18 | 0 | 0 | 0 | 116.9 | |||||
| 619 | C | 24.7 | Very low | 34 | Very low | 117 Ų | 117 | 121.7 Ų | 121.7 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | 82.8 | 105.7 | 163.4 | -64.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 620 | N | 34.3 | Very low | 32.9 | Very low | 154 Ų | 154 | 120.7 Ų | 120.7 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -87.4 | 137.7 | 149.3 | -179.6 | 22.7 | 0 | 0 | 0 | 108.6 | ||||
| 621 | P | 36.6 | Very low | 31.4 | Very low | 109 Ų | 109 | 121.7 Ų | 121.7 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | trans | -140 | 167.5 | 138.6 | 38.9 | -26.7 | 0 | 0 | 0 | 115.6 | ||||
| 622 | N | 26 | Very low | 31.1 | Very low | 144 Ų | 144 | 122.1 Ų | 122.1 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -49.2 | 175.4 | 173.8 | -66.8 | -26.5 | 0 | 0 | 0 | 116.8 | ||||
| 623 | S | 27.3 | Very low | 30.8 | Very low | 104 Ų | 104 | 119 Ų | 119 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 71.4 | 125.8 | 159.1 | 37.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 624 | S | 29.3 | Very low | 30.6 | Very low | 105 Ų | 105 | 119.9 Ų | 119.9 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | cis | 79.3 | 146.7 | 39.9 | 84.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 625 | S | 33.3 | Very low | 30.5 | Very low | 129 Ų | 129 | 119.5 Ų | 119.5 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | 75.6 | 146.7 | -165.1 | 79.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 626 | G | 30.3 | Very low | 30.3 | Very low | 60 Ų | 60 | 119.9 Ų | 119.9 | 62% | 0.619 | 77% | 0.767 | S | S | * | * | cis | -138.7 | 133.8 | -9.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 627 | S | 27.6 | Very low | 29.6 | Very low | 115 Ų | 115 | 117.5 Ų | 117.5 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | 70.9 | 117.2 | 76 | 72.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 628 | I | 31.5 | Very low | 29.3 | Very low | 162 Ų | 162 | 116.4 Ų | 116.4 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | -156 | 146.9 | 133.8 | -100.4 | 149 | 0 | 0 | 0 | 108.6 | ||||
| 629 | N | 29.3 | Very low | 28.6 | Very low | 150 Ų | 150 | 117.4 Ų | 117.4 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | -45.8 | 154.7 | 178.6 | -46.9 | -30.7 | 0 | 0 | 0 | 112.7 | ||||
| 630 | A | 29.4 | Very low | 28.7 | Very low | 97 Ų | 97 | 115.2 Ų | 115.2 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | -166.1 | 150.1 | 53 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 631 | T | 24.7 | Very low | 28.5 | Very low | 126 Ų | 126 | 113.1 Ų | 113.1 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -71.4 | 149.1 | 171.9 | -27.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 632 | S | 26.9 | Very low | 28.1 | Very low | 100 Ų | 100 | 115 Ų | 115 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | 64.5 | 156 | 146.2 | 62.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 633 | T | 27.3 | Very low | 28.1 | Very low | 107 Ų | 107 | 112.8 Ų | 112.8 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | cis | -164.5 | 162.8 | 2.2 | 0.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 634 | N | 28.3 | Very low | 28 | Very low | 146 Ų | 146 | 115 Ų | 115 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | 65.5 | 163.2 | 147.7 | -68.3 | -8 | 0 | 0 | 0 | 117.3 | ||||
| 635 | S | 26.9 | Very low | 27.9 | Very low | 95 Ų | 95 | 113.2 Ų | 113.2 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | cis | -171.8 | 150.3 | -23.8 | 50.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 636 | A | 27 | Very low | 27.7 | Very low | 101 Ų | 101 | 113.4 Ų | 113.4 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | trans | 59.7 | 155.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 637 | A | 26.3 | Very low | 27.7 | Very low | 77 Ų | 77 | 114.4 Ų | 114.4 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | cis | 173.3 | 165.8 | -18.8 | 0 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 638 | T | 26.8 | Very low | 28 | Very low | 134 Ų | 134 | 117.3 Ų | 117.3 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | 63 | 155.5 | 169.2 | 39.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 639 | T | 26.8 | Very low | 27.8 | Very low | 133 Ų | 133 | 115.5 Ų | 115.5 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | cis | -151.8 | 146.7 | 10.7 | -15.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 640 | G | 27.1 | Very low | 27.8 | Very low | 71 Ų | 71 | 111.2 Ų | 111.2 | 73% | 0.732 | 74% | 0.743 | S | S | * | * | trans | 75.7 | 165.6 | 146.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 641 | S | 29.3 | Very low | 27.6 | Very low | 111 Ų | 111 | 116.2 Ų | 116.2 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | cis | -162.8 | -174.1 | -10.1 | -159.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 642 | L | 28.2 | Very low | 27.7 | Very low | 148 Ų | 148 | 114.6 Ų | 114.6 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | trans | 77 | 119.3 | 177.7 | -47.2 | 171.7 | 0 | 0 | 0 | 113.9 | ||||
| 643 | C | 26 | Very low | 27.9 | Very low | 97 Ų | 97 | 116.5 Ų | 116.5 | 66% | 0.655 | 74% | 0.743 | S | S | * | * | cis | 72.6 | 139.9 | 21.8 | 103 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 644 | N | 27 | Very low | 28 | Very low | 152 Ų | 152 | 119.9 Ų | 119.9 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | cis | -114.4 | 178.2 | 6.9 | -73.9 | -37.9 | 0 | 0 | 0 | 111.5 | ||||
| 645 | G | 26.5 | Very low | 27.9 | Very low | 67 Ų | 67 | 116.5 Ų | 116.5 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | cis | 90.8 | 136.3 | 28.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 646 | T | 28.9 | Very low | 27.9 | Very low | 132 Ų | 132 | 119.3 Ų | 119.3 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | cis | -161.2 | 129.8 | 20.5 | 7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 647 | S | 30.4 | Very low | 27.9 | Very low | 81 Ų | 81 | 124.1 Ų | 124.1 | 57% | 0.566 | 76% | 0.761 | S | S | * | * | 78.8 | 151.9 | 89.8 | 79.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 648 | H | 33.6 | Very low | 27.9 | Very low | 176 Ų | 176 | 127 Ų | 127 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | cis | -125.7 | -164.5 | -2.8 | -52.3 | -106 | 0 | 0 | 0 | 108.2 | ||||
| 649 | S | 28 | Very low | 28 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | cis | -155.3 | 176.7 | -0.2 | 60.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 650 | G | 28.3 | Very low | 28 | Very low | 60 Ų | 60 | 126.3 Ų | 126.3 | 62% | 0.619 | 77% | 0.766 | S | S | * | * | cis | -173.1 | 154.9 | -10 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 651 | F | 24.8 | Very low | 28.8 | Very low | 202 Ų | 202 | 128.2 Ų | 128.2 | 89% | 0.886 | 77% | 0.765 | S | S | * | * | trans | 71.4 | 81.5 | 170.4 | -61.4 | -73.7 | 0 | 0 | 0 | 120.6 | ||||
| 652 | S | 28.4 | Very low | 28.7 | Very low | 93 Ų | 93 | 133.1 Ų | 133.1 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | -8.7 | 159.3 | 121.7 | 52.4 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 653 | N | 31 | Very low | 28.6 | Very low | 139 Ų | 139 | 133.5 Ų | 133.5 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | cis | -153.2 | 139 | 5 | -112.2 | 3.2 | 0 | 0 | 0 | 108.6 | ||||
| 654 | H | 29.5 | Very low | 28.7 | Very low | 178 Ų | 178 | 132.8 Ų | 132.8 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | 71.9 | 121 | 75.7 | -108.7 | -63 | 0 | 0 | 0 | 116.8 | |||||
| 655 | G | 24.5 | Very low | 28.6 | Very low | 76 Ų | 76 | 133.7 Ų | 133.7 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | trans | -168.8 | 116.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 656 | N | 27.3 | Very low | 28.6 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -153.3 | 135.3 | 179.7 | -155.3 | 11.6 | 0 | 0 | 0 | 109.8 | ||||
| 657 | F | 26.4 | Very low | 28.5 | Very low | 202 Ų | 202 | 133.7 Ų | 133.7 | 89% | 0.886 | 77% | 0.772 | S | S | * | * | trans | -113.1 | 140.4 | -176.1 | -99.1 | -87.7 | 0 | 0 | 0 | 111.3 | ||||
| 658 | T | 26.4 | Very low | 28.2 | Very low | 138 Ų | 138 | 133.1 Ų | 133.1 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | trans | -127.9 | 151.5 | 165.6 | 48.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 659 | S | 29.2 | Very low | 27.8 | Very low | 102 Ų | 102 | 131 Ų | 131 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | -135.4 | 174.6 | -159.9 | 58.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 660 | N | 27.1 | Very low | 27.7 | Very low | 151 Ų | 151 | 129.4 Ų | 129.4 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | 76.2 | 158.9 | 174.2 | -65 | -27.8 | 0 | 0 | 0 | 116.1 | ||||
| 661 | P | 44.3 | Very low | 27.6 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | cis | -138.6 | 170.2 | 13.7 | 42.3 | -24.9 | 0 | 0 | 0 | 119.5 | ||||
| 662 | R | 27.1 | Very low | 27.6 | Very low | 215 Ų | 215 | 126 Ų | 126 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | 78 | 126.8 | 140.8 | -90 | -177 | 171.1 | 172.8 | -2 | 124.2 | ||||
| 663 | M | 26.5 | Very low | 27.5 | Very low | 156 Ų | 156 | 126.4 Ų | 126.4 | 77% | 0.768 | 79% | 0.785 | S | S | * | * | 61.6 | 155.9 | 126.6 | -69.8 | 170.5 | 69.8 | 0 | 0 | 120.7 | |||||
| 664 | S | 27.4 | Very low | 27.4 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 57% | 0.573 | 78% | 0.784 | S | S | * | * | cis | -174.6 | 151.8 | -10 | 47.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 665 | N | 25.9 | Very low | 27.2 | Very low | 170 Ų | 170 | 123.5 Ų | 123.5 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | 59 | 161.6 | 162.1 | -61.6 | -2.6 | 0 | 0 | 0 | 118.3 | ||||
| 666 | G | 25 | Very low | 27.3 | Very low | 63 Ų | 63 | 129 Ų | 129 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | cis | 165.4 | 156.7 | -9.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 667 | S | 26.8 | Very low | 27.2 | Very low | 137 Ų | 137 | 128.8 Ų | 128.8 | 96% | 0.958 | 79% | 0.787 | S | S | * | * | trans | 66.5 | 162.2 | 179.1 | 77.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 668 | G | 25.7 | Very low | 27.3 | Very low | 68 Ų | 68 | 125.9 Ų | 125.9 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | cis | 161.4 | 161 | -9.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 669 | S | 24.9 | Very low | 27.3 | Very low | 132 Ų | 132 | 125.1 Ų | 125.1 | 92% | 0.923 | 78% | 0.781 | S | S | * | * | trans | 74.2 | 159.4 | 169 | -157 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 670 | A | 26.3 | Very low | 27.2 | Very low | 91 Ų | 91 | 124.9 Ų | 124.9 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | cis | -169.8 | 163.3 | -45.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 671 | G | 25.6 | Very low | 27.2 | Very low | 81 Ų | 81 | 123.6 Ų | 123.6 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | 87.3 | 159.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 672 | S | 24.8 | Very low | 26.3 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | cis | -164.5 | 153.3 | -5.5 | -172.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 673 | S | 26.5 | Very low | 26.4 | Very low | 101 Ų | 101 | 117.6 Ų | 117.6 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | 65 | 155.8 | 157.3 | 62.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 674 | T | 27.6 | Very low | 27.4 | Very low | 116 Ų | 116 | 116 Ų | 116 | 71% | 0.712 | 78% | 0.777 | S | S | * | * | cis | -151.4 | 146.2 | 14.2 | -9.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 675 | N | 26.1 | Very low | 27.3 | Very low | 139 Ų | 139 | 116.4 Ų | 116.4 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | 37.6 | 130.5 | 142.2 | -59.7 | -0.2 | 0 | 0 | 0 | 124 | ||||
| 676 | M | 26.4 | Very low | 27.3 | Very low | 193 Ų | 193 | 116.9 Ų | 116.9 | 95% | 0.951 | 78% | 0.777 | S | S | * | * | -158.8 | 161.9 | 96.3 | -109.1 | -165.8 | 173.9 | 0 | 0 | 113.1 | |||||
| 677 | N | 26.2 | Very low | 27.4 | Very low | 148 Ų | 148 | 122.3 Ų | 122.3 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -118.9 | 150 | -166.7 | -71.6 | -17.1 | 0 | 0 | 0 | 113.9 | ||||
| 678 | T | 27.1 | Very low | 27.4 | Very low | 140 Ų | 140 | 120.9 Ų | 120.9 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | 178.6 | 144.2 | 142.4 | 31.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 679 | V | 26.6 | Very low | 27.3 | Very low | 123 Ų | 123 | 124.3 Ų | 124.3 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | cis | -150 | 158.2 | -8.6 | 103.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 680 | S | 27.7 | Very low | 27.5 | Very low | 96 Ų | 96 | 125 Ų | 125 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | trans | 1.8 | 154 | 162.5 | -36.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 681 | T | 26.7 | Very low | 27.5 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | cis | -159.4 | 152.3 | 17.6 | -20.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 682 | S | 26.1 | Very low | 27.6 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | 45.9 | 104.6 | 148.9 | 59.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 683 | A | 28.3 | Very low | 27.7 | Very low | 91 Ų | 91 | 129.8 Ų | 129.8 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | -85.9 | -167.6 | 140.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 684 | P | 47.4 | Very low | 27.9 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | cis | -121.7 | -133.2 | -0.5 | 29 | -2.1 | 0 | 0 | 0 | 111 | ||||
| 685 | S | 25.5 | Very low | 28 | Very low | 92 Ų | 92 | 129.7 Ų | 129.7 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | cis | -170.4 | 177.2 | 6.6 | 21.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 686 | Q | 26.5 | Very low | 28.1 | Very low | 179 Ų | 179 | 129.2 Ų | 129.2 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | trans | 93.3 | 150.8 | 152.8 | -83.5 | -179.3 | -49.1 | 0 | 0 | 121.6 | ||||
| 687 | E | 26.3 | Very low | 28.4 | Very low | 178 Ų | 178 | 125 Ų | 125 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | trans | -80.2 | 149.6 | -178 | -51.6 | 130.3 | 112.7 | 0 | 0 | 111.9 | ||||
| 688 | A | 26.4 | Very low | 28.5 | Very low | 106 Ų | 106 | 121 Ų | 121 | 88% | 0.876 | 74% | 0.739 | S | S | * | * | trans | -150.5 | 138.8 | 153.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 689 | N | 25.5 | Very low | 28.6 | Very low | 141 Ų | 141 | 122 Ų | 122 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | trans | -67.2 | 160.5 | -180 | -121.9 | -29.9 | 0 | 0 | 0 | 114.4 | ||||
| 690 | Q | 27.5 | Very low | 28.7 | Very low | 145 Ų | 145 | 120.9 Ų | 120.9 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | trans | 79.2 | 134.3 | 136.6 | -78.8 | 172.9 | 25.9 | 0 | 0 | 124.1 | ||||
| 691 | Q | 26.5 | Very low | 28.9 | Very low | 148 Ų | 148 | 123.2 Ų | 123.2 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | 102.2 | 136.9 | 128.9 | -88.7 | 174.7 | 20.4 | 0 | 0 | 121.5 | |||||
| 692 | N | 28.9 | Very low | 29.1 | Very low | 128 Ų | 128 | 123 Ų | 123 | 68% | 0.684 | 74% | 0.738 | S | S | * | * | trans | 68.3 | 121.5 | 164.3 | -50 | -25 | 0 | 0 | 0 | 115.6 | ||||
| 693 | S | 26.8 | Very low | 29.3 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | cis | 71.5 | 138.9 | 39.8 | 94 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 694 | A | 29.7 | Very low | 29.5 | Very low | 73 Ų | 73 | 125.8 Ų | 125.8 | 60% | 0.603 | 74% | 0.744 | S | S | * | * | cis | -159.3 | 176.3 | 5.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 695 | N | 30.1 | Very low | 28.6 | Very low | 142 Ų | 142 | 127.3 Ų | 127.3 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | 68.4 | 155.4 | 157.6 | -60.5 | 13.4 | 0 | 0 | 0 | 116.9 | ||||
| 696 | D | 28.6 | Very low | 28.9 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | cis | -150 | -174.2 | -5.2 | -137.5 | -60.8 | 0 | 0 | 0 | 112.2 | ||||
| 697 | S | 31.4 | Very low | 29.2 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -29.5 | 156.5 | 158.7 | 48.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 698 | G | 28.8 | Very low | 29.4 | Very low | 65 Ų | 65 | 123.2 Ų | 123.2 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | cis | 135.5 | 153.6 | 1.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 699 | I | 30.1 | Very low | 29.6 | Very low | 162 Ų | 162 | 124.1 Ų | 124.1 | 83% | 0.831 | 74% | 0.736 | S | S | * | * | trans | 69.3 | 112.4 | 166.9 | -51.4 | 175.4 | 0 | 0 | 0 | 114.8 | ||||
| 700 | S | 28.3 | Very low | 30 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | 57.1 | 137.4 | 93.8 | 126.6 | 0 | 0 | 0 | 0 | 115 | |||||
| 701 | L | 31 | Very low | 30.4 | Very low | 145 Ų | 145 | 123 Ų | 123 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | cis | -165.8 | 178.8 | 20.1 | -123.4 | 171.1 | 0 | 0 | 0 | 110.6 | ||||
| 702 | T | 30.7 | Very low | 30.5 | Very low | 119 Ų | 119 | 123.5 Ų | 123.5 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | trans | 62.3 | 159.4 | 162.9 | 51.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 703 | E | 31 | Very low | 30.5 | Very low | 185 Ų | 185 | 120.8 Ų | 120.8 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | cis | -172.1 | 148.8 | -30.6 | -178 | 160.9 | -137.2 | 0 | 0 | 110.5 | ||||
| 704 | G | 32 | Very low | 30.6 | Very low | 74 Ų | 74 | 119.5 Ų | 119.5 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | trans | 81.7 | 163.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 705 | D | 30 | Very low | 30.6 | Very low | 153 Ų | 153 | 124.2 Ų | 124.2 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | cis | -166.5 | -171.3 | -15.7 | -164.7 | 7.9 | 0 | 0 | 0 | 110.4 | ||||
| 706 | L | 31.4 | Very low | 30.6 | Very low | 144 Ų | 144 | 124.4 Ų | 124.4 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | 80.6 | 143.3 | 174.9 | -57 | 106.1 | 0 | 0 | 0 | 116 | ||||
| 707 | L | 31.4 | Very low | 30.8 | Very low | 151 Ų | 151 | 125.7 Ų | 125.7 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | cis | -159.7 | 128.5 | 8.5 | -138.7 | 166.1 | 0 | 0 | 0 | 114.8 | ||||
| 708 | G | 31.5 | Very low | 30.7 | Very low | 68 Ų | 68 | 127.7 Ų | 127.7 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | 70.9 | 164.7 | 145.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 709 | V | 30.2 | Very low | 30.7 | Very low | 125 Ų | 125 | 131 Ų | 131 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | cis | -163.6 | 140.1 | -7.2 | 115.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 710 | L | 33.6 | Very low | 30.7 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | trans | 50.2 | 125.8 | 166.3 | -82.2 | 86.9 | 0 | 0 | 0 | 120.9 | ||||
| 711 | V | 36.2 | Very low | 30.7 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | 80.1 | 138 | 65.7 | 167.9 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 712 | D | 29.8 | Very low | 30.8 | Very low | 158 Ų | 158 | 129.5 Ų | 129.5 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | cis | -117.5 | 172.6 | 22.1 | -111 | -37.9 | 0 | 0 | 0 | 113.3 | ||||
| 713 | G | 29.1 | Very low | 31 | Very low | 71 Ų | 71 | 134.4 Ų | 134.4 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | cis | 127.9 | 138.1 | 12.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 714 | G | 28 | Very low | 31.2 | Very low | 80 Ų | 80 | 130.1 Ų | 130.1 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | cis | -164.5 | 160.8 | -6.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 715 | M | 30.3 | Very low | 31.5 | Very low | 172 Ų | 172 | 134.9 Ų | 134.9 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | trans | -79.8 | 149.9 | -176.4 | -79.2 | 159.5 | 42.3 | 0 | 0 | 114.3 | ||||
| 716 | N | 30.1 | Very low | 32 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | 157.4 | 155.5 | 137.1 | -84 | -32.2 | 0 | 0 | 0 | 111.5 | ||||
| 717 | K | 31.3 | Very low | 32 | Very low | 157 Ų | 157 | 140.4 Ų | 140.4 | 68% | 0.683 | 78% | 0.783 | S | S | * | * | cis | -172.2 | 164 | -26.2 | -162.5 | -175.1 | 177.3 | -153.1 | 0 | 108 | ||||
| 718 | E | 29.2 | Very low | 32 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | trans | 81.8 | 148.7 | 148.9 | -105.4 | 155.2 | -140 | 0 | 0 | 122.7 | ||||
| 719 | E | 29.2 | Very low | 32.1 | Very low | 135 Ų | 135 | 143.8 Ų | 143.8 | 63% | 0.631 | 79% | 0.788 | S | S | * | * | trans | 69.8 | 122.8 | 155 | -64 | -106.2 | 100.9 | 0 | 0 | 122.9 | ||||
| 720 | K | 30.1 | Very low | 32.2 | Very low | 178 Ų | 178 | 144.9 Ų | 144.9 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | trans | 39.5 | 128.1 | 134.4 | -59.3 | 171.2 | -177.1 | 137.6 | 0 | 120.4 | ||||
| 721 | G | 29.7 | Very low | 32.1 | Very low | 85 Ų | 85 | 145 Ų | 145 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | trans | 177.4 | 120 | 154.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 722 | S | 33 | Very low | 31.8 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -104.9 | 161.6 | 171 | 63 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 723 | R | 34.3 | Very low | 32 | Very low | 222 Ų | 222 | 145.9 Ų | 145.9 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | 94.6 | 122.8 | 143.7 | -116.9 | -174.4 | -174.8 | 164.8 | 0.2 | 119.3 | ||||
| 724 | T | 35 | Very low | 32.2 | Very low | 95 Ų | 95 | 151.6 Ų | 151.6 | 58% | 0.583 | 80% | 0.798 | S | S | * | * | trans | 56.4 | 135.6 | 134.3 | 45.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 725 | E | 38.8 | Very low | 32.6 | Very low | 174 Ų | 174 | 157.6 Ų | 157.6 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | 69.8 | 139 | 153.7 | -67 | 144.3 | -148.4 | 0 | 0 | 115.8 | ||||
| 726 | E | 39.7 | Very low | 32.8 | Very low | 271 Ų | 271 | 156.3 Ų | 156.3 | 100% | 1.266 | 79% | 0.791 | S | S | * | * | cis | -108.7 | 0 | 2 | -65.5 | 177.9 | 109.3 | 0 | 0 | 113.1 |
Retrieved 726 of 726 residues in 1470.9 ms
(Link to these results)