| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.9 | Very low | 63.6 | Low | 238 Ų | 238 | 143.4 Ų | 143.4 | 100% | 1.172 | 72% | 0.716 | S | S | * | * | 0 | 45.6 | 0 | -73.4 | 178.8 | 174.3 | 0 | 0 | 112.1 | |||||
| 2 | N | 36.3 | Very low | 65.6 | Low | 135 Ų | 135 | 137.3 Ų | 137.3 | 72% | 0.722 | 70% | 0.696 | S | S | * | * | trans | -149.6 | 16.2 | 172.2 | -123.7 | 7.5 | 0 | 0 | 0 | 113.8 | ||||
| 3 | T | 49.7 | Very low | 67.5 | Low | 111 Ų | 111 | 129.8 Ų | 129.8 | 68% | 0.681 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -99.7 | -10.8 | -163.9 | 46.6 | 0 | 0 | 0 | 0 | 115.5 | ||
| 4 | N | 53.2 | Low | 69.2 | Low | 125 Ų | 125 | 125.5 Ų | 125.5 | 67% | 0.668 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -92.1 | -22.7 | 176 | -80.7 | 4.9 | 0 | 0 | 0 | 113.7 | L7 | N4-L7 PolarHBondContact O-N 2.69Š|
| 5 | H | 50.2 | Low | 70.8 | Confident | 147 Ų | 147 | 117.7 Ų | 117.7 | 68% | 0.681 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -32.8 | -179.1 | -107.1 | -58.4 | 0 | 0 | 0 | 112.7 | L7 N9 | H5-L7 VanDerWaalsContact C-N 3.32Å; H5-N9 PolarHBondContact O-ND2 3.06Å |
| 6 | E | 64.2 | Low | 71.7 | Confident | 140 Ų | 140 | 111.9 Ų | 111.9 | 65% | 0.654 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -70.4 | -30.8 | 176 | -69.4 | -174.3 | 166.4 | 0 | 0 | 112.2 | H8 N9 V10 | E6-H8 PolarHBondContact O-N 2.79Å; E6-H8 VanDerWaalsContact O-N 3.12Å; E6-N9 PolarHBondContact O-N 3.4Å; E6-V10 PolarHBondContact O-N 3.26Å |
| 7 | L | 66.8 | Low | 72.3 | Confident | 104 Ų | 104 | 109.6 Ų | 109.6 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | G | 310 helix | trans | -62.4 | -26 | -173 | -145.4 | 120.3 | 0 | 0 | 0 | 113.4 | N4 H5 | N4-L7 PolarHBondContact O-N 2.69Å; H5-L7 VanDerWaalsContact C-N 3.32Å |
| 8 | H | 78.3 | Confident | 73.2 | Confident | 162 Ų | 162 | 110.4 Ų | 110.4 | 75% | 0.75 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -99.7 | -4.7 | 176.6 | -61.1 | -60.4 | 0 | 0 | 0 | 114 | E6 | E6-H8 PolarHBondContact O-N 2.79Å; E6-H8 VanDerWaalsContact O-N 3.12Å |
| 9 | N | 88.3 | Confident | 74.2 | Confident | 126 Ų | 126 | 107.1 Ų | 107.1 | 67% | 0.674 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -8.2 | -178.8 | -72.2 | -25.7 | 0 | 0 | 0 | 113.2 | H5 E6 | H5-N9 PolarHBondContact O-ND2 3.06Å; E6-N9 PolarHBondContact O-N 3.4Å |
| 10 | V | 88.4 | Confident | 75.2 | Confident | 92 Ų | 92 | 102.2 Ų | 102.2 | 56% | 0.558 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -127.3 | 144.3 | 178.2 | -61 | 0 | 0 | 0 | 0 | 111.1 | E6 C12 | E6-V10 PolarHBondContact O-N 3.26Å; V10-C12 PolarHBondContact O-N 3.27Å |
| 11 | Y | 89.6 | Confident | 76.2 | Confident | 197 Ų | 197 | 98 Ų | 98 | 77% | 0.773 | 52% | 0.521 | S | S | * | . | trans | -60.9 | 129.5 | 172 | 171.4 | -99.1 | 0 | 0 | 0 | 109.9 | ||||
| 12 | C | 87.7 | Confident | 79.1 | Confident | 71 Ų | 71 | 93.4 Ų | 93.4 | 48% | 0.48 | 49% | 0.494 | S | S | . | . | trans | -124.9 | 143.1 | 171.7 | -69.7 | 0 | 0 | 0 | 0 | 107.9 | V10 V14 | V10-C12 PolarHBondContact O-N 3.27Å; C12-V14 PolarHBondContact O-N 3.42Å | ||
| 13 | S | 90.8 | Very high | 81.9 | Confident | 40 Ų | 40 | 91.9 Ų | 91.9 | 28% | 0.28 | 48% | 0.483 | S | S | . | . | trans | -56.8 | 125.4 | 175.6 | 179.6 | 0 | 0 | 0 | 0 | 109.8 | L15 G16 G17 | S13-L15 PolarHBondContact O-N 3.06Å; S13-L15 VanDerWaalsContact O-N 3.11Å; S13-G16 PolarHBondContact O-N 3.39Å; S13-G16 VanDerWaalsContact O-N 3.15Å; S13-G17 PolarHBondContact O-N 2.95Å | ||
| 14 | V | 91.1 | Very high | 84.1 | Confident | 69 Ų | 69 | 86.6 Ų | 86.6 | 42% | 0.418 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.8 | -24.6 | -179.4 | 68.9 | 0 | 0 | 0 | 0 | 112 | C12 G17 R18 Y19 | C12-V14 PolarHBondContact O-N 3.42Å; V14-G17 PolarHBondContact O-N 3.45Å; V14-R18 HydrophobicContact CG2-CB 3.95Å; V14-R18 VanDerWaalsContact O-CB 3.24Å; V14-R18 WeakPolarHBondContact O-CB 3.32Å; V14-R18 PolarHBondContact O-N 2.95Å; V14-Y19 HydrophobicContact CB-CE2 4.37Å; V14-Y19 HydrophobicContact CG1-CD2 4.26Å; V14-Y19 HydrophobicContact CG1-CE2 3.94Å; V14-Y19 HydrophobicContact CG2-CD2 4.15Å; V14-Y19 HydrophobicContact CG2-CE2 3.58Å |
| 15 | L | 92.6 | Very high | 86.2 | Confident | 8 Ų | 8 | 84 Ų | 84 | 4% | 0.042 | 43% | 0.434 | C | S | . | . | I | π-helix | trans | -60.6 | -45.9 | 177.3 | -66.7 | 170.8 | 0 | 0 | 0 | 111.6 | S13 Y19 A20 L328 E364 L367 T368 | S13-L15 PolarHBondContact O-N 3.06Å; S13-L15 VanDerWaalsContact O-N 3.11Å; L15-Y19 HydrophobicContact CD2-CD2 4.35Å; L15-Y19 PolarHBondContact O-N 3.5Å; L15-A20 WeakPolarHBondContact O-CB 3.12Å; L15-A20 PolarHBondContact O-N 3.26Å; L15-L328 HydrophobicContact CD2-CD2 4.2Å; L15-E364 HydrophobicContact CD1-CB 4.07Å; L15-E364 HydrophobicContact CD1-CG 4.12Å; L15-L367 HydrophobicContact CB-CB 4.08Å; L15-L367 HydrophobicContact CB-CD1 4.48Å; L15-L367 HydrophobicContact CD1-CB 4.12Å; L15-T368 WeakPolarHBondContact CD1-OG1 3.42Å |
| 16 | G | 86.2 | Confident | 88.5 | Confident | 25 Ų | 25 | 81.7 Ų | 81.7 | 26% | 0.258 | 42% | 0.424 | S | S | . | . | I | π-helix | trans | -74.3 | -35.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S13 Q25 | S13-G16 PolarHBondContact O-N 3.39Å; S13-G16 VanDerWaalsContact O-N 3.15Å; G16-Q25 PolarHBondContact O-NE2 3.16Å; G16-Q25 PolarHBondContact O-OE1 3.32Å |
| 17 | G | 81.8 | Confident | 90 | Very high | 73 Ų | 73 | 76.2 Ų | 76.2 | 75% | 0.753 | 40% | 0.399 | S | S | * | . | I | π-helix | trans | -81.9 | -17.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S13 V14 | S13-G17 PolarHBondContact O-N 2.95Å; V14-G17 PolarHBondContact O-N 3.45Å |
| 18 | R | 88 | Confident | 91.5 | Very high | 125 Ų | 125 | 73.4 Ų | 73.4 | 47% | 0.472 | 38% | 0.382 | S | S | . | . | I | π-helix | trans | -141.4 | -28.2 | -164.3 | -163.2 | 175 | 179 | 171.2 | 4.1 | 116.7 | V14 V506 | V14-R18 HydrophobicContact CG2-CB 3.95Å; V14-R18 VanDerWaalsContact O-CB 3.24Å; V14-R18 WeakPolarHBondContact O-CB 3.32Å; V14-R18 PolarHBondContact O-N 2.95Å; R18-V506 HydrophobicContact CG-CG1 3.61Å; R18-V506 VanDerWaalsContact O-CG2 3.28Å; R18-V506 WeakPolarHBondContact O-CG2 3.46Å |
| 19 | Y | 92.8 | Very high | 92.4 | Very high | 47 Ų | 47 | 67.6 Ų | 67.6 | 18% | 0.184 | 36% | 0.36 | C | S | . | . | I | π-helix | trans | -127.3 | -43.7 | -163.3 | -57.2 | -51.2 | 0 | 0 | 0 | 115.3 | V14 L15 L328 A371 | V14-Y19 HydrophobicContact CB-CE2 4.37Å; V14-Y19 HydrophobicContact CG1-CD2 4.26Å; V14-Y19 HydrophobicContact CG1-CE2 3.94Å; V14-Y19 HydrophobicContact CG2-CD2 4.15Å; V14-Y19 HydrophobicContact CG2-CE2 3.58Å; L15-Y19 HydrophobicContact CD2-CD2 4.35Å; L15-Y19 PolarHBondContact O-N 3.5Å; Y19-L328 HydrophobicContact CD2-CD2 4.43Å; Y19-A371 WeakPolarHBondContact O-CA 3.31Å |
| 20 | A | 94.7 | Very high | 92.8 | Very high | 8 Ų | 8 | 66.4 Ų | 66.4 | 7% | 0.066 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -81.1 | 146.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L15 Q25 L367 | L15-A20 WeakPolarHBondContact O-CB 3.12Å; L15-A20 PolarHBondContact O-N 3.26Å; A20-Q25 HydrophobicContact CB-CG 4.26Å; A20-Q25 PolarHBondContact O-NE2 2.99Å; A20-L367 HydrophobicContact CB-CB 3.88Å; A20-L367 HydrophobicContact CB-CD2 3.44Å; A20-L367 VanDerWaalsContact CB-CD2 3.44Å; A20-L367 HydrophobicContact CB-CG 4.26Å |
| 21 | S | 95.2 | Very high | 93.2 | Very high | 15 Ų | 15 | 67.2 Ų | 67.2 | 11% | 0.105 | 34% | 0.343 | C | S | . | . | trans | -63.4 | 151.8 | 176.7 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | E23 M24 Q25 R150 D370 | S21-E23 VanDerWaalsContact CB-OE2 3.28Å; S21-E23 WeakPolarHBondContact CB-OE2 3.5Å; S21-E23 PolarHBondContact O-N 3.33Å; S21-M24 PolarHBondContact O-N 3.36Å; S21-M24 VanDerWaalsContact O-N 3.17Å; S21-M24 PolarHBondContact OG-N 3.19Å; S21-Q25 WeakPolarHBondContact O-CG 3.41Å; S21-Q25 PolarHBondContact O-N 3.49Å; S21-R150 VanDerWaalsContact CB-NH2 3.31Å; S21-R150 PolarHBondContact OG-NH2 3.16Å; S21-R150 VanDerWaalsContact OG-NH2 3.16Å; S21-D370 VanDerWaalsContact CB-OD2 3.23Å; S21-D370 WeakPolarHBondContact CB-OD2 3.28Å; S21-D370 PolarHBondContact N-OD2 3.31Å; S21-D370 VanDerWaalsContact OG-CG 3.27Å; S21-D370 PolarHBondContact OG-OD1 3.44Å; S21-D370 PolarHBondContact OG-OD2 3.28Å | ||
| 22 | K | 94.5 | Very high | 93.6 | Very high | 141 Ų | 141 | 60 Ų | 60 | 61% | 0.613 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -57.8 | -36.8 | 177.1 | -173.3 | 176.8 | -179.5 | 179.7 | 0 | 111.5 | Q25 Q26 | K22-Q25 PolarHBondContact O-N 3.43Å; K22-Q26 HydrophobicContact CG-CG 4.38Å; K22-Q26 WeakPolarHBondContact O-CB 3.48Å; K22-Q26 VanDerWaalsContact O-CG 3.24Å; K22-Q26 WeakPolarHBondContact O-CG 3.4Å; K22-Q26 PolarHBondContact O-N 2.92Å |
| 23 | E | 94.8 | Very high | 94.1 | Very high | 103 Ų | 103 | 59 Ų | 59 | 48% | 0.481 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 178.1 | -61.8 | 75.3 | -160.8 | 0 | 0 | 111.3 | S21 Q26 L27 | S21-E23 VanDerWaalsContact CB-OE2 3.28Å; S21-E23 WeakPolarHBondContact CB-OE2 3.5Å; S21-E23 PolarHBondContact O-N 3.33Å; E23-Q26 PolarHBondContact O-N 3.05Å; E23-L27 WeakPolarHBondContact O-CG 3.23Å; E23-L27 PolarHBondContact O-N 3.13Å; E23-L27 VanDerWaalsContact O-N 3.15Å |
| 24 | M | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.1 | -39.2 | 177.9 | -167.7 | 60.6 | 72.2 | 0 | 0 | 111.6 | S21 Q26 L27 F28 A143 N146 L147 F366 L367 D370 | S21-M24 PolarHBondContact O-N 3.36Å; S21-M24 VanDerWaalsContact O-N 3.17Å; S21-M24 PolarHBondContact OG-N 3.19Å; M24-Q26 VanDerWaalsContact C-N 3.35Å; M24-Q26 PolarHBondContact O-N 3.18Å; M24-L27 PolarHBondContact O-N 2.93Å; M24-L27 HydrophobicContact SD-CD1 4.17Å; M24-F28 HydrophobicContact CG-CD2 4.42Å; M24-F28 WeakPolarHBondContact O-CD2 3.25Å; M24-F28 PolarHBondContact O-N 3.11Å; M24-F28 HydrophobicContact SD-CD2 4.14Å; M24-F28 HydrophobicContact SD-CE2 3.77Å; M24-A143 HydrophobicContact CE-CB 4.14Å; M24-A143 HydrophobicContact SD-CB 3.68Å; M24-N146 HydrophobicContact CE-CB 4.21Å; M24-L147 HydrophobicContact CE-CD2 3.8Å; M24-L147 HydrophobicContact CE-CG 3.85Å; M24-F366 HydrophobicContact SD-CB 4.13Å; M24-L367 HydrophobicContact CB-CD2 4.11Å; M24-L367 HydrophobicContact CG-CD2 3.75Å; M24-L367 HydrophobicContact CG-CG 4.44Å; M24-D370 HydrophobicContact CB-CB 4.07Å; M24-D370 HydrophobicContact CE-CB 4.04Å; M24-D370 HydrophobicContact CG-CB 3.9Å |
| 25 | Q | 97 | Very high | 94.8 | Very high | 70 Ų | 70 | 55 Ų | 55 | 33% | 0.327 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 174.6 | -68 | -176.7 | 50.1 | 0 | 0 | 112.4 | G16 A20 S21 K22 F28 S29 L367 | G16-Q25 PolarHBondContact O-NE2 3.16Å; G16-Q25 PolarHBondContact O-OE1 3.32Å; A20-Q25 HydrophobicContact CB-CG 4.26Å; A20-Q25 PolarHBondContact O-NE2 2.99Å; S21-Q25 WeakPolarHBondContact O-CG 3.41Å; S21-Q25 PolarHBondContact O-N 3.49Å; K22-Q25 PolarHBondContact O-N 3.43Å; Q25-F28 CarbonylContact O-C 3.6Å; Q25-F28 PolarHBondContact O-N 2.86Å; Q25-S29 PolarHBondContact O-N 3.24Å; Q25-L367 HydrophobicContact CB-CD2 4.47Å; Q25-L367 HydrophobicContact CG-CD2 3.82Å |
| 26 | Q | 97.1 | Very high | 95.1 | Very high | 100 Ų | 100 | 56.2 Ų | 56.2 | 47% | 0.467 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 177.6 | -78 | 174.2 | -21.3 | 0 | 0 | 111.8 | K22 E23 M24 F28 S29 Q32 | K22-Q26 HydrophobicContact CG-CG 4.38Å; K22-Q26 WeakPolarHBondContact O-CB 3.48Å; K22-Q26 VanDerWaalsContact O-CG 3.24Å; K22-Q26 WeakPolarHBondContact O-CG 3.4Å; K22-Q26 PolarHBondContact O-N 2.92Å; E23-Q26 PolarHBondContact O-N 3.05Å; M24-Q26 VanDerWaalsContact C-N 3.35Å; M24-Q26 PolarHBondContact O-N 3.18Å; Q26-F28 VanDerWaalsContact C-N 3.3Å; Q26-F28 PolarHBondContact O-N 3.33Å; Q26-S29 VanDerWaalsContact O-CB 3.29Å; Q26-S29 WeakPolarHBondContact O-CB 3.49Å; Q26-S29 PolarHBondContact O-N 3.47Å; Q26-S29 VanDerWaalsContact O-N 3.11Å; Q26-S29 PolarHBondContact O-OG 3.11Å; Q26-Q32 WeakPolarHBondContact O-CB 3.45Å |
| 27 | L | 97.7 | Very high | 95.7 | Very high | 24 Ų | 24 | 55.2 Ų | 55.2 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.9 | -41.6 | 176.6 | -74.1 | 176.1 | 0 | 0 | 0 | 112.5 | E23 M24 T139 C142 A143 | E23-L27 WeakPolarHBondContact O-CG 3.23Å; E23-L27 PolarHBondContact O-N 3.13Å; E23-L27 VanDerWaalsContact O-N 3.15Å; M24-L27 PolarHBondContact O-N 2.93Å; M24-L27 HydrophobicContact SD-CD1 4.17Å; L27-T139 HydrophobicContact CB-CG2 4.37Å; L27-T139 WeakPolarHBondContact O-CG2 3.1Å; L27-C142 HydrophobicContact CD1-CB 4.23Å; L27-C142 HydrophobicContact CD2-CB 3.85Å; L27-A143 HydrophobicContact CD1-CB 4.12Å |
| 28 | F | 97.6 | Very high | 96.5 | Very high | 46 Ų | 46 | 51.8 Ų | 51.8 | 20% | 0.202 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 7.4 | 178.5 | -71.9 | -79.7 | 0 | 0 | 0 | 114 | M24 Q25 Q26 T139 A143 P363 F366 | M24-F28 HydrophobicContact CG-CD2 4.42Å; M24-F28 WeakPolarHBondContact O-CD2 3.25Å; M24-F28 PolarHBondContact O-N 3.11Å; M24-F28 HydrophobicContact SD-CD2 4.14Å; M24-F28 HydrophobicContact SD-CE2 3.77Å; Q25-F28 CarbonylContact O-C 3.6Å; Q25-F28 PolarHBondContact O-N 2.86Å; Q26-F28 VanDerWaalsContact C-N 3.3Å; Q26-F28 PolarHBondContact O-N 3.33Å; F28-T139 HydrophobicContact CD1-CG2 3.84Å; F28-T139 HydrophobicContact CD2-CG2 4.46Å; F28-T139 HydrophobicContact CE1-CG2 3.66Å; F28-T139 HydrophobicContact CE2-CG2 4.26Å; F28-T139 HydrophobicContact CG-CG2 4.26Å; F28-T139 HydrophobicContact CZ-CG2 3.86Å; F28-A143 HydrophobicContact CE2-CB 3.88Å; F28-A143 HydrophobicContact CZ-CB 4.15Å; F28-P363 HydrophobicContact CB-CB 4.16Å; F28-P363 HydrophobicContact CD1-CB 3.82Å; F28-P363 HydrophobicContact CD1-CG 3.74Å; F28-P363 HydrophobicContact CE1-CB 4.47Å; F28-P363 HydrophobicContact CE1-CG 4.33Å; F28-P363 HydrophobicContact CG-CB 4.02Å; F28-P363 HydrophobicContact CG-CG 4.39Å; F28-F366 HydrophobicContact CD2-CB 4.31Å; F28-F366 HydrophobicContact CE1-CD2 4.29Å; F28-F366 HydrophobicContact CE2-CB 3.34Å; F28-F366 HydrophobicContact CE2-CD1 4.44Å; F28-F366 HydrophobicContact CE2-CD2 4.09Å; F28-F366 AromaticContact CE2-CG 3.73Å; F28-F366 HydrophobicContact CE2-CG 3.73Å; F28-F366 HydrophobicContact CZ-CB 3.59Å; F28-F366 HydrophobicContact CZ-CD1 4.41Å; F28-F366 AromaticContact CZ-CD2 3.41Å; F28-F366 HydrophobicContact CZ-CD2 3.41Å; F28-F366 VanDerWaalsContact CZ-CD2 3.41Å; F28-F366 HydrophobicContact CZ-CE2 4.16Å; F28-F366 AromaticContact CZ-CG 3.55Å; F28-F366 HydrophobicContact CZ-CG 3.55Å |
| 29 | S | 96.8 | Very high | 97 | Very high | 39 Ų | 39 | 49 Ų | 49 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -70.1 | 151.6 | 179.2 | 72.9 | 0 | 0 | 0 | 0 | 111.8 | Q25 Q26 R31 Q32 K33 | Q25-S29 PolarHBondContact O-N 3.24Å; Q26-S29 VanDerWaalsContact O-CB 3.29Å; Q26-S29 WeakPolarHBondContact O-CB 3.49Å; Q26-S29 PolarHBondContact O-N 3.47Å; Q26-S29 VanDerWaalsContact O-N 3.11Å; Q26-S29 PolarHBondContact O-OG 3.11Å; S29-R31 PolarHBondContact O-N 3.4Å; S29-Q32 PolarHBondContact O-N 3.12Å; S29-Q32 WeakPolarHBondContact OG-CB 3.29Å; S29-Q32 PolarHBondContact OG-N 3.35Å; S29-Q32 VanDerWaalsContact OG-N 3.14Å; S29-K33 PolarHBondContact O-N 3.49Å |
| 30 | E | 96.1 | Very high | 97.2 | Very high | 102 Ų | 102 | 46.8 Ų | 46.8 | 48% | 0.477 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.8 | -37.8 | 175.4 | -170.3 | 174 | -167.6 | 0 | 0 | 112 | Q32 K33 V34 W90 | E30-Q32 PolarHBondContact O-N 3.15Å; E30-K33 WeakPolarHBondContact O-CB 3.48Å; E30-K33 PolarHBondContact O-N 2.86Å; E30-K33 IonicContact OE1-NZ 3.58Å; E30-V34 VanDerWaalsContact O-CG2 3.28Å; E30-V34 WeakPolarHBondContact O-CG2 3.48Å; E30-V34 PolarHBondContact O-N 3.38Å; E30-W90 HydrophobicContact CB-CH2 4.39Å; E30-W90 HydrophobicContact CG-CH2 3.9Å; E30-W90 HydrophobicContact CG-CZ3 3.67Å |
| 31 | R | 97.7 | Very high | 97.4 | Very high | 108 Ų | 108 | 46.5 Ų | 46.5 | 41% | 0.408 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.2 | -50.1 | 174.9 | -174 | 178.6 | -174.4 | -81.8 | -3.8 | 111.2 | S29 K33 V34 L35 E86 I88 W90 | S29-R31 PolarHBondContact O-N 3.4Å; R31-K33 PolarHBondContact O-N 3.12Å; R31-V34 PolarHBondContact O-N 3.35Å; R31-L35 WeakPolarHBondContact O-CG 3.33Å; R31-L35 PolarHBondContact O-N 3.41Å; R31-E86 IonicContact CZ-OE2 3.16Å; R31-E86 IonicContact NH2-OE2 2.7Å; R31-E86 PolarHBondContact NH2-OE2 3.31Å; R31-I88 HydrophobicContact CG-CD1 4.37Å; R31-W90 HydrophobicContact CB-CH2 4.48Å; R31-W90 HydrophobicContact CB-CZ2 4.11Å; R31-W90 HydrophobicContact CG-CZ2 4.36Å |
| 32 | Q | 98 | Very high | 97.6 | Very high | 47 Ų | 47 | 45.9 Ų | 45.9 | 22% | 0.22 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -41.2 | -178.2 | -173 | 59.5 | 41.6 | 0 | 0 | 112.1 | Q26 S29 E30 V34 L35 Y36 | Q26-Q32 WeakPolarHBondContact O-CB 3.45Å; S29-Q32 PolarHBondContact O-N 3.12Å; S29-Q32 WeakPolarHBondContact OG-CB 3.29Å; S29-Q32 PolarHBondContact OG-N 3.35Å; S29-Q32 VanDerWaalsContact OG-N 3.14Å; E30-Q32 PolarHBondContact O-N 3.15Å; Q32-V34 VanDerWaalsContact C-N 3.33Å; Q32-V34 PolarHBondContact O-N 3.34Å; Q32-L35 PolarHBondContact O-N 2.86Å; Q32-Y36 HydrophobicContact CG-CD2 4.15Å; Q32-Y36 HydrophobicContact CG-CE2 3.77Å; Q32-Y36 VanDerWaalsContact NE2-CZ 3.26Å; Q32-Y36 PolarHBondContact O-N 3.5Å |
| 33 | K | 97.9 | Very high | 97.7 | Very high | 49 Ų | 49 | 41.3 Ų | 41.3 | 21% | 0.213 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -53.4 | -49.4 | 172.5 | 179.1 | -165.9 | 71.1 | -178.2 | 0 | 111.4 | S29 E30 R31 Y36 W37 | S29-K33 PolarHBondContact O-N 3.49Å; E30-K33 WeakPolarHBondContact O-CB 3.48Å; E30-K33 PolarHBondContact O-N 2.86Å; E30-K33 IonicContact OE1-NZ 3.58Å; R31-K33 PolarHBondContact O-N 3.12Å; K33-Y36 PolarHBondContact O-N 3.15Å; K33-W37 HydrophobicContact CD-CZ2 3.87Å; K33-W37 HydrophobicContact CG-CZ2 4.06Å; K33-W37 PolarHBondContact O-N 2.97Å |
| 34 | V | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.8 | -37.8 | -178.2 | 176.3 | 0 | 0 | 0 | 0 | 112 | E30 R31 Q32 Y36 W37 R38 I88 W90 H107 | E30-V34 VanDerWaalsContact O-CG2 3.28Å; E30-V34 WeakPolarHBondContact O-CG2 3.48Å; E30-V34 PolarHBondContact O-N 3.38Å; R31-V34 PolarHBondContact O-N 3.35Å; Q32-V34 VanDerWaalsContact C-N 3.33Å; Q32-V34 PolarHBondContact O-N 3.34Å; V34-Y36 VanDerWaalsContact C-N 3.33Å; V34-Y36 PolarHBondContact O-N 3.26Å; V34-W37 WeakPolarHBondContact O-CB 3.34Å; V34-W37 PolarHBondContact O-N 3.2Å; V34-W37 VanDerWaalsContact O-N 3.17Å; V34-R38 PolarHBondContact O-N 2.84Å; V34-I88 HydrophobicContact CB-CD1 4.04Å; V34-I88 HydrophobicContact CG1-CD1 3.64Å; V34-I88 HydrophobicContact CG1-CG1 4.02Å; V34-I88 HydrophobicContact CG1-CG2 4.33Å; V34-W90 HydrophobicContact CB-CH2 4.35Å; V34-W90 HydrophobicContact CG2-CH2 3.93Å; V34-W90 HydrophobicContact CG2-CZ3 4.12Å; V34-H107 WeakPolarHBondContact CG2-CE1 3.38Å |
| 35 | L | 98.4 | Very high | 97.8 | Very high | 25 Ų | 25 | 36.5 Ų | 36.5 | 13% | 0.131 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.2 | -43.6 | 172.4 | -71.3 | -174.3 | 0 | 0 | 0 | 111.5 | R31 Q32 W37 R38 Q39 E86 I88 | R31-L35 WeakPolarHBondContact O-CG 3.33Å; R31-L35 PolarHBondContact O-N 3.41Å; Q32-L35 PolarHBondContact O-N 2.86Å; L35-W37 VanDerWaalsContact C-N 3.33Å; L35-W37 PolarHBondContact O-N 3.16Å; L35-R38 PolarHBondContact O-N 2.73Å; L35-Q39 VanDerWaalsContact O-CB 3.31Å; L35-Q39 WeakPolarHBondContact O-CB 3.34Å; L35-Q39 PolarHBondContact O-N 3.49Å; L35-E86 HydrophobicContact CD2-CB 4.37Å; L35-E86 HydrophobicContact CD2-CG 3.98Å; L35-I88 HydrophobicContact CD2-CD1 4.31Å |
| 36 | Y | 98.5 | Very high | 97.7 | Very high | 34 Ų | 34 | 34.5 Ų | 34.5 | 13% | 0.133 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.7 | -40 | 173.3 | -74.3 | -40.3 | 0 | 0 | 0 | 112.3 | Q32 K33 V34 R38 Q39 L40 A135 L138 T139 | Q32-Y36 HydrophobicContact CG-CD2 4.15Å; Q32-Y36 HydrophobicContact CG-CE2 3.77Å; Q32-Y36 VanDerWaalsContact NE2-CZ 3.26Å; Q32-Y36 PolarHBondContact O-N 3.5Å; K33-Y36 PolarHBondContact O-N 3.15Å; V34-Y36 VanDerWaalsContact C-N 3.33Å; V34-Y36 PolarHBondContact O-N 3.26Å; Y36-R38 PolarHBondContact O-N 3.42Å; Y36-Q39 PolarHBondContact O-N 3.49Å; Y36-L40 VanDerWaalsContact O-CB 3.31Å; Y36-L40 WeakPolarHBondContact O-CB 3.35Å; Y36-L40 WeakPolarHBondContact O-CD1 3.47Å; Y36-L40 WeakPolarHBondContact O-CG 3.46Å; Y36-L40 PolarHBondContact O-N 2.93Å; Y36-A135 HydrophobicContact CG-CB 4.49Å; Y36-L138 HydrophobicContact CD1-CD1 4.12Å; Y36-L138 HydrophobicContact CE1-CB 4.4Å; Y36-L138 HydrophobicContact CE2-CB 4.35Å; Y36-L138 HydrophobicContact CG-CD1 4.43Å; Y36-T139 WeakPolarHBondContact CE2-OG1 3.24Å |
| 37 | W | 98.7 | Very high | 97.5 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.015 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.6 | -47.1 | 176.6 | -67.5 | 5.8 | 0 | 0 | 0 | 111.9 | K33 V34 L35 L40 W41 V104 H107 V131 Q132 | K33-W37 HydrophobicContact CD-CZ2 3.87Å; K33-W37 HydrophobicContact CG-CZ2 4.06Å; K33-W37 PolarHBondContact O-N 2.97Å; V34-W37 WeakPolarHBondContact O-CB 3.34Å; V34-W37 PolarHBondContact O-N 3.2Å; V34-W37 VanDerWaalsContact O-N 3.17Å; L35-W37 VanDerWaalsContact C-N 3.33Å; L35-W37 PolarHBondContact O-N 3.16Å; W37-L40 PolarHBondContact O-N 2.96Å; W37-W41 HydrophobicContact CB-CE3 4.47Å; W37-W41 HydrophobicContact CB-CH2 4.15Å; W37-W41 HydrophobicContact CB-CZ3 4.06Å; W37-W41 HydrophobicContact CE3-CH2 4.29Å; W37-W41 PolarHBondContact O-N 3.14Å; W37-V104 HydrophobicContact CH2-CG2 3.89Å; W37-V104 HydrophobicContact CZ2-CG2 4.45Å; W37-V104 HydrophobicContact CZ3-CB 4.44Å; W37-V104 HydrophobicContact CZ3-CG2 3.96Å; W37-H107 HydrophobicContact CE3-CB 4.04Å; W37-H107 AromaticContact CE3-CD2 3.97Å; W37-H107 HydrophobicContact CZ3-CB 4.14Å; W37-H107 AromaticContact CZ3-CD2 3.48Å; W37-H107 VanDerWaalsContact CZ3-CD2 3.48Å; W37-H107 WeakPolarHBondContact CZ3-CD2 3.28Å; W37-H107 AromaticContact CZ3-CG 3.96Å; W37-V131 HydrophobicContact CB-CB 3.98Å; W37-V131 HydrophobicContact CB-CG1 4.31Å; W37-V131 HydrophobicContact CB-CG2 4.42Å; W37-V131 VanDerWaalsContact CD1-O 3.3Å; W37-V131 HydrophobicContact CD2-CB 4.23Å; W37-V131 HydrophobicContact CD2-CG2 3.93Å; W37-V131 HydrophobicContact CE3-CG2 4.32Å; W37-V131 HydrophobicContact CG-CB 3.74Å; W37-V131 HydrophobicContact CG-CG2 3.98Å; W37-V131 PolarHBondContact NE1-O 3.39Å; W37-Q132 HydrophobicContact CH2-CG 4.36Å; W37-Q132 HydrophobicContact CZ2-CG 3.8Å |
| 38 | R | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.9 | -39.6 | 177.5 | -68.6 | -178.9 | 173.5 | -162.6 | -2.8 | 112.6 | V34 L35 Y36 W41 T42 H84 A85 E87 F111 | V34-R38 PolarHBondContact O-N 2.84Å; L35-R38 PolarHBondContact O-N 2.73Å; Y36-R38 PolarHBondContact O-N 3.42Å; R38-W41 HydrophobicContact CG-CE3 4.11Å; R38-W41 HydrophobicContact CG-CZ3 4.1Å; R38-W41 PolarHBondContact O-N 3.31Å; R38-T42 WeakPolarHBondContact O-CB 2.97Å; R38-T42 PolarHBondContact O-N 2.92Å; R38-T42 PolarHBondContact O-OG1 3.3Å; R38-H84 PolarHBondContact NH1-O 3.37Å; R38-A85 WeakPolarHBondContact CD-O 3.47Å; R38-A85 PolarHBondContact NH1-O 3.49Å; R38-E87 VanDerWaalsContact CZ-O 3.24Å; R38-E87 PolarHBondContact NH1-O 2.94Å; R38-E87 PolarHBondContact NH2-O 3.17Å; R38-F111 HydrophobicContact CB-CE1 4.01Å; R38-F111 HydrophobicContact CB-CZ 4.07Å; R38-F111 HydrophobicContact CG-CD1 3.93Å; R38-F111 HydrophobicContact CG-CD2 4.29Å; R38-F111 HydrophobicContact CG-CE1 3.88Å; R38-F111 HydrophobicContact CG-CE2 4.27Å; R38-F111 HydrophobicContact CG-CG 4.14Å; R38-F111 HydrophobicContact CG-CZ 4.05Å |
| 39 | Q | 98.5 | Very high | 97 | Very high | 67 Ų | 67 | 28.7 Ų | 28.7 | 31% | 0.313 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 174.4 | -172.4 | 60.2 | 69.7 | 0 | 0 | 111.9 | L35 Y36 T42 W43 | L35-Q39 VanDerWaalsContact O-CB 3.31Å; L35-Q39 WeakPolarHBondContact O-CB 3.34Å; L35-Q39 PolarHBondContact O-N 3.49Å; Y36-Q39 PolarHBondContact O-N 3.49Å; Q39-T42 WeakPolarHBondContact O-CB 3.35Å; Q39-T42 PolarHBondContact O-N 3.12Å; Q39-W43 HydrophobicContact CG-CD2 3.97Å; Q39-W43 HydrophobicContact CG-CE3 4.23Å; Q39-W43 HydrophobicContact CG-CH2 3.64Å; Q39-W43 HydrophobicContact CG-CZ2 3.36Å; Q39-W43 HydrophobicContact CG-CZ3 4.07Å; Q39-W43 VanDerWaalsContact NE2-CD1 3.35Å; Q39-W43 VanDerWaalsContact NE2-CE2 3.34Å; Q39-W43 PolarHBondContact O-N 3.33Å |
| 40 | L | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.3 | -41.7 | 176.5 | -75.4 | 161.9 | 0 | 0 | 0 | 111.9 | Y36 W37 T42 W43 L44 Y130 V131 N134 A135 L138 F211 | Y36-L40 VanDerWaalsContact O-CB 3.31Å; Y36-L40 WeakPolarHBondContact O-CB 3.35Å; Y36-L40 WeakPolarHBondContact O-CD1 3.47Å; Y36-L40 WeakPolarHBondContact O-CG 3.46Å; Y36-L40 PolarHBondContact O-N 2.93Å; W37-L40 PolarHBondContact O-N 2.96Å; L40-T42 VanDerWaalsContact C-N 3.32Å; L40-W43 HydrophobicContact CD2-CE3 3.97Å; L40-W43 HydrophobicContact CD2-CZ3 4.11Å; L40-W43 HydrophobicContact CG-CE3 4.47Å; L40-W43 PolarHBondContact O-N 3.47Å; L40-L44 WeakPolarHBondContact O-CB 3.3Å; L40-L44 PolarHBondContact O-N 3.44Å; L40-Y130 HydrophobicContact CB-CE1 3.95Å; L40-Y130 WeakPolarHBondContact O-CE1 3.47Å; L40-Y130 PolarHBondContact O-OH 3.48Å; L40-V131 HydrophobicContact CB-CG1 4.17Å; L40-N134 HydrophobicContact CD1-CB 3.78Å; L40-N134 HydrophobicContact CD2-CB 3.73Å; L40-N134 HydrophobicContact CG-CB 4.45Å; L40-A135 HydrophobicContact CD1-CB 3.98Å; L40-L138 HydrophobicContact CD1-CD1 4.42Å; L40-L138 HydrophobicContact CD2-CD1 4.27Å; L40-L138 HydrophobicContact CG-CD1 4.41Å; L40-F211 HydrophobicContact CD2-CZ 3.81Å |
| 41 | W | 98.6 | Very high | 94 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 1% | 0.011 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.8 | -40.2 | 172.5 | -72.1 | -46.8 | 0 | 0 | 0 | 112 | W37 R38 L44 A45 M81 V104 H107 V108 F111 I122 H123 V131 | W37-W41 HydrophobicContact CB-CE3 4.47Å; W37-W41 HydrophobicContact CB-CH2 4.15Å; W37-W41 HydrophobicContact CB-CZ3 4.06Å; W37-W41 HydrophobicContact CE3-CH2 4.29Å; W37-W41 PolarHBondContact O-N 3.14Å; R38-W41 HydrophobicContact CG-CE3 4.11Å; R38-W41 HydrophobicContact CG-CZ3 4.1Å; R38-W41 PolarHBondContact O-N 3.31Å; W41-L44 WeakPolarHBondContact O-CB 3.45Å; W41-L44 PolarHBondContact O-N 3.12Å; W41-A45 PolarHBondContact O-N 2.66Å; W41-M81 VanDerWaalsContact C-CE 3.47Å; W41-M81 HydrophobicContact CB-CE 3.71Å; W41-V104 HydrophobicContact CZ2-CG1 3.86Å; W41-H107 HydrophobicContact CH2-CB 3.95Å; W41-H107 HydrophobicContact CZ3-CB 4.48Å; W41-V108 HydrophobicContact CH2-CG2 3.83Å; W41-V108 HydrophobicContact CZ2-CG2 3.37Å; W41-F111 AromaticContact CE3-CD1 3.8Å; W41-F111 HydrophobicContact CE3-CD1 3.8Å; W41-F111 HydrophobicContact CE3-CE1 4.25Å; W41-F111 HydrophobicContact CZ3-CD1 4.26Å; W41-I122 HydrophobicContact CB-CG2 4.4Å; W41-I122 HydrophobicContact CD2-CG2 3.87Å; W41-I122 HydrophobicContact CE3-CG2 4.16Å; W41-I122 HydrophobicContact CG-CG2 3.96Å; W41-H123 AromaticContact CD1-ND1 3.73Å; W41-H123 AromaticContact NE1-CE1 3.92Å; W41-H123 AromaticContact NE1-CG 3.52Å; W41-H123 AromaticContact NE1-ND1 3Å; W41-H123 PolarHBondContact NE1-ND1 3.29Å; W41-V131 HydrophobicContact CD2-CG1 4.03Å; W41-V131 VanDerWaalsContact CE2-CG1 3.49Å; W41-V131 HydrophobicContact CG-CG1 4.17Å; W41-V131 HydrophobicContact CZ2-CB 4.49Å; W41-V131 HydrophobicContact CZ2-CG1 3.91Å; W41-V131 HydrophobicContact CZ2-CG2 4Å |
| 42 | T | 98 | Very high | 91.8 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.4 | -47.7 | 176.9 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | R38 Q39 L40 L44 A45 E46 I78 K82 | R38-T42 WeakPolarHBondContact O-CB 2.97Å; R38-T42 PolarHBondContact O-N 2.92Å; R38-T42 PolarHBondContact O-OG1 3.3Å; Q39-T42 WeakPolarHBondContact O-CB 3.35Å; Q39-T42 PolarHBondContact O-N 3.12Å; L40-T42 VanDerWaalsContact C-N 3.32Å; T42-L44 VanDerWaalsContact C-N 3.29Å; T42-L44 PolarHBondContact O-N 2.86Å; T42-A45 PolarHBondContact O-N 3.39Å; T42-E46 WeakPolarHBondContact O-CG 3.38Å; T42-E46 PolarHBondContact O-N 3.14Å; T42-I78 HydrophobicContact CG2-CG2 4.38Å; T42-K82 HydrophobicContact CG2-CD 4.41Å; T42-K82 HydrophobicContact CG2-CG 3.69Å |
| 43 | W | 97.4 | Very high | 89.1 | Confident | 44 Ų | 44 | 21.1 Ų | 21.1 | 17% | 0.167 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.2 | -34.3 | 175.7 | -67.9 | -25.8 | 0 | 0 | 0 | 113 | Q39 L40 A47 L138 K245 A246 | Q39-W43 HydrophobicContact CG-CD2 3.97Å; Q39-W43 HydrophobicContact CG-CE3 4.23Å; Q39-W43 HydrophobicContact CG-CH2 3.64Å; Q39-W43 HydrophobicContact CG-CZ2 3.36Å; Q39-W43 HydrophobicContact CG-CZ3 4.07Å; Q39-W43 VanDerWaalsContact NE2-CD1 3.35Å; Q39-W43 VanDerWaalsContact NE2-CE2 3.34Å; Q39-W43 PolarHBondContact O-N 3.33Å; L40-W43 HydrophobicContact CD2-CE3 3.97Å; L40-W43 HydrophobicContact CD2-CZ3 4.11Å; L40-W43 HydrophobicContact CG-CE3 4.47Å; L40-W43 PolarHBondContact O-N 3.47Å; W43-A47 WeakPolarHBondContact O-CB 3.44Å; W43-A47 PolarHBondContact O-N 3.22Å; W43-L138 HydrophobicContact CZ3-CD1 4.14Å; W43-K245 HydrophobicContact CB-CB 4.24Å; W43-K245 HydrophobicContact CB-CD 3.89Å; W43-K245 HydrophobicContact CD2-CB 3.91Å; W43-K245 HydrophobicContact CE3-CB 4.47Å; W43-K245 HydrophobicContact CG-CB 3.79Å; W43-K245 HydrophobicContact CG-CD 3.95Å; W43-K245 HydrophobicContact CG-CG 4.42Å; W43-K245 WeakPolarHBondContact CZ2-O 3.46Å; W43-A246 HydrophobicContact CE3-CB 4.26Å; W43-A246 HydrophobicContact CH2-CB 4.49Å; W43-A246 HydrophobicContact CZ3-CB 3.8Å |
| 44 | L | 97.4 | Very high | 86.5 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.1 | -51.1 | 174.5 | -173.4 | 65.5 | 0 | 0 | 0 | 110.5 | L40 W41 T42 A47 Q48 A126 Y130 A214 F224 L238 V242 | L40-L44 WeakPolarHBondContact O-CB 3.3Å; L40-L44 PolarHBondContact O-N 3.44Å; W41-L44 WeakPolarHBondContact O-CB 3.45Å; W41-L44 PolarHBondContact O-N 3.12Å; T42-L44 VanDerWaalsContact C-N 3.29Å; T42-L44 PolarHBondContact O-N 2.86Å; L44-A47 PolarHBondContact O-N 2.73Å; L44-Q48 HydrophobicContact CG-CG 4.5Å; L44-Q48 WeakPolarHBondContact O-CB 3.5Å; L44-Q48 VanDerWaalsContact O-CG 3.27Å; L44-Q48 WeakPolarHBondContact O-CG 3.31Å; L44-Q48 PolarHBondContact O-N 2.92Å; L44-A126 HydrophobicContact CD2-CB 3.87Å; L44-Y130 HydrophobicContact CB-CE1 3.85Å; L44-Y130 WeakPolarHBondContact CB-OH 3.48Å; L44-Y130 HydrophobicContact CD1-CE1 4.4Å; L44-Y130 HydrophobicContact CD1-CE2 4.23Å; L44-Y130 HydrophobicContact CD2-CD1 4.18Å; L44-Y130 HydrophobicContact CD2-CE1 3.88Å; L44-Y130 HydrophobicContact CG-CE1 4.26Å; L44-A214 HydrophobicContact CD1-CB 4.49Å; L44-F224 HydrophobicContact CD1-CE1 4.19Å; L44-F224 HydrophobicContact CD1-CZ 4.44Å; L44-L238 HydrophobicContact CD1-CD1 4.17Å; L44-L238 HydrophobicContact CD1-CD2 4.43Å; L44-V242 HydrophobicContact CD1-CG1 4.44Å |
| 45 | A | 96.5 | Very high | 84 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 2% | 0.017 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.3 | -44.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | W41 T42 A47 Q48 M49 I73 I78 M81 I121 | W41-A45 PolarHBondContact O-N 2.66Å; T42-A45 PolarHBondContact O-N 3.39Å; A45-A47 VanDerWaalsContact C-N 3.35Å; A45-A47 PolarHBondContact O-N 2.93Å; A45-Q48 PolarHBondContact O-N 3.05Å; A45-M49 WeakPolarHBondContact O-CB 3Å; A45-M49 PolarHBondContact O-N 3.38Å; A45-I73 HydrophobicContact CB-CG2 4.3Å; A45-I78 HydrophobicContact CB-CG1 3.96Å; A45-M81 HydrophobicContact CB-SD 4.18Å; A45-I121 HydrophobicContact CB-CD1 4.28Å |
| 46 | E | 94.9 | Very high | 81.5 | Confident | 27 Ų | 27 | 36.4 Ų | 36.4 | 13% | 0.126 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.2 | -45 | 173.5 | -74.4 | -179.1 | 151.5 | 0 | 0 | 112.5 | T42 M49 V50 I78 K82 K245 | T42-E46 WeakPolarHBondContact O-CG 3.38Å; T42-E46 PolarHBondContact O-N 3.14Å; E46-M49 PolarHBondContact O-N 2.82Å; E46-V50 WeakPolarHBondContact O-CG2 3.38Å; E46-V50 PolarHBondContact O-N 3.31Å; E46-I78 HydrophobicContact CG-CD1 4.16Å; E46-I78 HydrophobicContact CG-CG2 3.61Å; E46-K82 WeakPolarHBondContact OE1-CE 3.39Å; E46-K82 IonicContact OE1-NZ 3.4Å; E46-K82 PolarHBondContact OE1-NZ 2.71Å; E46-K245 WeakPolarHBondContact OE2-CE 3.46Å; E46-K245 IonicContact OE2-NZ 3.26Å; E46-K245 PolarHBondContact OE2-NZ 3.42Å |
| 47 | A | 93.8 | Very high | 78.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.4 | -35.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | W43 L44 A45 M49 S51 L238 K241 V242 | W43-A47 WeakPolarHBondContact O-CB 3.44Å; W43-A47 PolarHBondContact O-N 3.22Å; L44-A47 PolarHBondContact O-N 2.73Å; A45-A47 VanDerWaalsContact C-N 3.35Å; A45-A47 PolarHBondContact O-N 2.93Å; A47-M49 VanDerWaalsContact C-N 3.34Å; A47-S51 WeakPolarHBondContact O-CB 3.48Å; A47-S51 PolarHBondContact O-N 2.94Å; A47-S51 PolarHBondContact O-OG 3.16Å; A47-L238 HydrophobicContact CB-CD1 3.46Å; A47-L238 VanDerWaalsContact CB-CD1 3.46Å; A47-K241 HydrophobicContact CB-CB 4.1Å; A47-K241 HydrophobicContact CB-CD 3.82Å; A47-K241 HydrophobicContact CB-CG 3.82Å; A47-V242 HydrophobicContact CB-CG1 3.7Å |
| 48 | Q | 94.4 | Very high | 76.1 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68 | -31.8 | 174.2 | -74.7 | 171.6 | -30.6 | 0 | 0 | 112.8 | L44 A45 G69 L70 I73 L124 F228 L238 | L44-Q48 HydrophobicContact CG-CG 4.5Å; L44-Q48 WeakPolarHBondContact O-CB 3.5Å; L44-Q48 VanDerWaalsContact O-CG 3.27Å; L44-Q48 WeakPolarHBondContact O-CG 3.31Å; L44-Q48 PolarHBondContact O-N 2.92Å; A45-Q48 PolarHBondContact O-N 3.05Å; Q48-G69 CarbonylContact O-C 3.56Å; Q48-G69 WeakPolarHBondContact O-CA 3.48Å; Q48-L70 HydrophobicContact CB-CD1 3.96Å; Q48-L70 HydrophobicContact CB-CG 4.28Å; Q48-L70 HydrophobicContact CG-CD1 4.11Å; Q48-L70 PolarHBondContact O-N 2.69Å; Q48-I73 HydrophobicContact CB-CD1 3.45Å; Q48-I73 VanDerWaalsContact CB-CD1 3.45Å; Q48-I73 HydrophobicContact CG-CD1 4.38Å; Q48-L124 PolarHBondContact NE2-O 2.99Å; Q48-F228 HydrophobicContact CG-CZ 4.24Å; Q48-L238 HydrophobicContact CG-CD1 3.9Å; Q48-L238 HydrophobicContact CG-CD2 4.31Å |
| 49 | M | 91.2 | Very high | 73.5 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 23% | 0.232 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.2 | -35.4 | 177.9 | -173.2 | -177 | 69.1 | 0 | 0 | 113.3 | A45 E46 A47 G69 I73 E75 I78 | A45-M49 WeakPolarHBondContact O-CB 3Å; A45-M49 PolarHBondContact O-N 3.38Å; E46-M49 PolarHBondContact O-N 2.82Å; A47-M49 VanDerWaalsContact C-N 3.34Å; M49-G69 WeakPolarHBondContact O-CA 3.3Å; M49-I73 HydrophobicContact CB-CB 4.46Å; M49-I73 HydrophobicContact CB-CG2 4.17Å; M49-E75 HydrophobicContact SD-CB 4.41Å; M49-I78 HydrophobicContact CB-CD1 4.06Å; M49-I78 HydrophobicContact CE-CD1 3.7Å; M49-I78 HydrophobicContact CG-CD1 4.44Å; M49-I78 HydrophobicContact SD-CD1 3.59Å; M49-I78 VanDerWaalsContact SD-CD1 3.59Å |
| 50 | V | 71.5 | Confident | 71 | Confident | 59 Ų | 59 | 55.6 Ų | 55.6 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -104 | -17.2 | -167.6 | -177.5 | 0 | 0 | 0 | 0 | 114.2 | E46 | E46-V50 WeakPolarHBondContact O-CG2 3.38Å; E46-V50 PolarHBondContact O-N 3.31Å |
| 51 | S | 57.9 | Low | 68.6 | Low | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -88.4 | 124.5 | -164.1 | -60.3 | 0 | 0 | 0 | 0 | 114.4 | A47 L68 | A47-S51 WeakPolarHBondContact O-CB 3.48Å; A47-S51 PolarHBondContact O-N 2.94Å; A47-S51 PolarHBondContact O-OG 3.16Å; S51-L68 CarbonylContact O-C 3.56Å | ||
| 52 | V | 51.7 | Low | 66.3 | Low | 52 Ų | 52 | 69.3 Ų | 69.3 | 32% | 0.315 | 35% | 0.354 | S | S | . | . | cis | -155.7 | 134.8 | -11.4 | 159.3 | 0 | 0 | 0 | 0 | 105.9 | A237 | V52-A237 HydrophobicContact CB-CB 4.01Å; V52-A237 HydrophobicContact CG2-CB 3.55Å | ||
| 53 | G | 41.4 | Very low | 63.8 | Low | 27 Ų | 27 | 76 Ų | 76 | 28% | 0.278 | 39% | 0.385 | S | S | . | . | trans | -114.3 | 131.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 106 | T55 L68 | G53-T55 PolarHBondContact O-N 3.34Å; G53-L68 VanDerWaalsContact CA-CD1 3.47Å | ||
| 54 | D | 42.6 | Very low | 61.4 | Low | 98 Ų | 98 | 76.7 Ų | 76.7 | 52% | 0.524 | 39% | 0.394 | S | S | . | . | trans | -49.2 | 95.2 | 178.1 | 179.4 | 10.4 | 0 | 0 | 0 | 111.9 | R56 | D54-R56 VanDerWaalsContact CG-NE 3.3Å; D54-R56 PolarHBondContact O-N 3.01Å; D54-R56 VanDerWaalsContact O-N 3.16Å; D54-R56 VanDerWaalsContact OD1-CB 3.32Å; D54-R56 WeakPolarHBondContact OD1-CB 3.33Å; D54-R56 WeakPolarHBondContact OD1-CG 3.29Å; D54-R56 PolarHBondContact OD1-N 2.97Å; D54-R56 IonicContact OD1-NE 2.76Å; D54-R56 PolarHBondContact OD1-NE 3.25Å; D54-R56 IonicContact OD2-CZ 2.81Å; D54-R56 IonicContact OD2-NE 3.51Å; D54-R56 PolarHBondContact OD2-NE 3.16Å; D54-R56 IonicContact OD2-NH2 2.94Å; D54-R56 PolarHBondContact OD2-NH2 3.36Å | ||
| 55 | T | 45.5 | Very low | 58.9 | Low | 98 Ų | 98 | 79.8 Ų | 79.8 | 60% | 0.601 | 41% | 0.41 | S | S | * | . | trans | -86 | 45.9 | 173.6 | 54 | 0 | 0 | 0 | 0 | 110.9 | G53 G57 V60 | G53-T55 PolarHBondContact O-N 3.34Å; T55-G57 PolarHBondContact O-N 3.04Å; T55-V60 HydrophobicContact CG2-CB 4.3Å; T55-V60 HydrophobicContact CG2-CG2 3.69Å | ||
| 56 | R | 45 | Very low | 56.5 | Low | 198 Ų | 198 | 85.6 Ų | 85.6 | 75% | 0.747 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -61.6 | 79.7 | 158.8 | -83.9 | -177.2 | -67.5 | 174.7 | -1.2 | 109.2 | D54 F58 | D54-R56 VanDerWaalsContact CG-NE 3.3Å; D54-R56 PolarHBondContact O-N 3.01Å; D54-R56 VanDerWaalsContact O-N 3.16Å; D54-R56 VanDerWaalsContact OD1-CB 3.32Å; D54-R56 WeakPolarHBondContact OD1-CB 3.33Å; D54-R56 WeakPolarHBondContact OD1-CG 3.29Å; D54-R56 PolarHBondContact OD1-N 2.97Å; D54-R56 IonicContact OD1-NE 2.76Å; D54-R56 PolarHBondContact OD1-NE 3.25Å; D54-R56 IonicContact OD2-CZ 2.81Å; D54-R56 IonicContact OD2-NE 3.51Å; D54-R56 PolarHBondContact OD2-NE 3.16Å; D54-R56 IonicContact OD2-NH2 2.94Å; D54-R56 PolarHBondContact OD2-NH2 3.36Å; R56-F58 WeakPolarHBondContact O-CD2 3.45Å; R56-F58 PolarHBondContact O-N 2.87Å |
| 57 | G | 41.3 | Very low | 54.4 | Low | 74 Ų | 74 | 91.4 Ų | 91.4 | 76% | 0.763 | 46% | 0.464 | S | S | * | . | S | Bend | trans | 85.7 | 1.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | T55 | T55-G57 PolarHBondContact O-N 3.04Š|
| 58 | F | 43.2 | Very low | 52.6 | Low | 170 Ų | 170 | 93.2 Ų | 93.2 | 75% | 0.746 | 47% | 0.474 | S | S | * | . | trans | -106.8 | 134.2 | 178.8 | -72 | -86.5 | 0 | 0 | 0 | 112.3 | R56 V60 | R56-F58 WeakPolarHBondContact O-CD2 3.45Å; R56-F58 PolarHBondContact O-N 2.87Å; F58-V60 PolarHBondContact O-N 3.11Å | ||
| 59 | K | 43 | Very low | 51.6 | Low | 215 Ų | 215 | 93.8 Ų | 93.8 | 94% | 0.935 | 48% | 0.479 | S | S | * | . | trans | -61.3 | 100.2 | 164.2 | -84 | -178.5 | 174.7 | 179.1 | 0 | 107.7 | ||||
| 60 | V | 47 | Very low | 51.5 | Low | 49 Ų | 49 | 92.5 Ų | 92.5 | 30% | 0.297 | 47% | 0.473 | S | S | . | . | trans | -82.2 | 123.1 | 174 | 177.3 | 0 | 0 | 0 | 0 | 108.1 | T55 F58 V64 I65 | T55-V60 HydrophobicContact CG2-CB 4.3Å; T55-V60 HydrophobicContact CG2-CG2 3.69Å; F58-V60 PolarHBondContact O-N 3.11Å; V60-V64 HydrophobicContact CG1-CB 3.46Å; V60-V64 VanDerWaalsContact CG1-CB 3.46Å; V60-V64 HydrophobicContact CG1-CG1 3.45Å; V60-V64 VanDerWaalsContact CG1-CG1 3.45Å; V60-V64 HydrophobicContact CG1-CG2 4.41Å; V60-I65 HydrophobicContact CG1-CG1 4.18Å | ||
| 61 | E | 47.3 | Very low | 52.1 | Low | 141 Ų | 141 | 95.5 Ų | 95.5 | 66% | 0.659 | 49% | 0.492 | S | S | * | . | trans | -61.4 | 147.6 | 177.6 | -68.5 | -178.3 | 166.1 | 0 | 0 | 111 | Q63 V64 I65 | E61-Q63 PolarHBondContact O-N 3.37Å; E61-V64 PolarHBondContact O-N 3.08Å; E61-I65 PolarHBondContact O-N 3.32Å | ||
| 62 | K | 50.6 | Low | 53.7 | Low | 151 Ų | 151 | 100.8 Ų | 100.8 | 66% | 0.657 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -53.7 | -26 | -176.4 | -161.7 | 174.2 | -175.6 | 174.7 | 0 | 113.1 | E75 | K62-E75 IonicContact NZ-OE2 3.69Å |
| 63 | Q | 45.1 | Very low | 55.6 | Low | 142 Ų | 142 | 98.7 Ų | 98.7 | 66% | 0.664 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -72.6 | -37.8 | 178.9 | -149.2 | 164.3 | 10.6 | 0 | 0 | 112.7 | E61 I65 Q66 | E61-Q63 PolarHBondContact O-N 3.37Å; Q63-I65 VanDerWaalsContact C-N 3.34Å; Q63-I65 PolarHBondContact O-N 2.84Å; Q63-Q66 PolarHBondContact O-N 3.24Å |
| 64 | V | 47.4 | Very low | 58.1 | Low | 58 Ų | 58 | 99.6 Ų | 99.6 | 35% | 0.352 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71 | -31.7 | 177.3 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | V60 E61 Q66 E67 L68 | V60-V64 HydrophobicContact CG1-CB 3.46Å; V60-V64 VanDerWaalsContact CG1-CB 3.46Å; V60-V64 HydrophobicContact CG1-CG1 3.45Å; V60-V64 VanDerWaalsContact CG1-CG1 3.45Å; V60-V64 HydrophobicContact CG1-CG2 4.41Å; E61-V64 PolarHBondContact O-N 3.08Å; V64-Q66 PolarHBondContact O-N 3.11Å; V64-E67 PolarHBondContact O-N 3.4Å; V64-E67 VanDerWaalsContact O-N 3.14Å; V64-L68 HydrophobicContact CG1-CD1 3.97Å; V64-L68 VanDerWaalsContact O-CD1 3.3Å; V64-L68 WeakPolarHBondContact O-CD1 3.48Å; V64-L68 WeakPolarHBondContact O-CG 3.36Å; V64-L68 PolarHBondContact O-N 3.47Å |
| 65 | I | 46.2 | Very low | 60.6 | Low | 67 Ų | 67 | 100 Ų | 100 | 34% | 0.344 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.7 | -36.7 | 173.7 | -60.3 | 176.6 | 0 | 0 | 0 | 111.1 | V60 E61 Q63 L68 G69 | V60-I65 HydrophobicContact CG1-CG1 4.18Å; E61-I65 PolarHBondContact O-N 3.32Å; Q63-I65 VanDerWaalsContact C-N 3.34Å; Q63-I65 PolarHBondContact O-N 2.84Å; I65-L68 PolarHBondContact O-N 2.74Å; I65-G69 PolarHBondContact O-N 3.16Å |
| 66 | Q | 46.2 | Very low | 63 | Low | 124 Ų | 124 | 100.8 Ų | 100.8 | 58% | 0.579 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.8 | -29.2 | 178.2 | -69.9 | -179.5 | -23.9 | 0 | 0 | 113.3 | Q63 V64 L68 T71 | Q63-Q66 PolarHBondContact O-N 3.24Å; V64-Q66 PolarHBondContact O-N 3.11Å; Q66-L68 PolarHBondContact O-N 2.72Å; Q66-T71 WeakPolarHBondContact O-CG2 3.4Å |
| 67 | E | 49.3 | Very low | 65.5 | Low | 148 Ų | 148 | 92.8 Ų | 92.8 | 69% | 0.692 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -69.6 | -18.3 | 174.6 | -66.3 | -175.8 | 162.6 | 0 | 0 | 112.5 | V64 K234 | V64-E67 PolarHBondContact O-N 3.4Å; V64-E67 VanDerWaalsContact O-N 3.14Å; E67-K234 PolarHBondContact O-NZ 3.25Å |
| 68 | L | 55.9 | Low | 68.1 | Low | 39 Ų | 39 | 89.4 Ų | 89.4 | 20% | 0.204 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -96.8 | -35.9 | -172.1 | -64 | 160.9 | 0 | 0 | 0 | 112.4 | S51 G53 V64 I65 Q66 K234 | S51-L68 CarbonylContact O-C 3.56Å; G53-L68 VanDerWaalsContact CA-CD1 3.47Å; V64-L68 HydrophobicContact CG1-CD1 3.97Å; V64-L68 VanDerWaalsContact O-CD1 3.3Å; V64-L68 WeakPolarHBondContact O-CD1 3.48Å; V64-L68 WeakPolarHBondContact O-CG 3.36Å; V64-L68 PolarHBondContact O-N 3.47Å; I65-L68 PolarHBondContact O-N 2.74Å; Q66-L68 PolarHBondContact O-N 2.72Å; L68-K234 WeakPolarHBondContact O-CD 3.45Å; L68-K234 WeakPolarHBondContact O-CE 3.4Å; L68-K234 PolarHBondContact O-NZ 3.06Å |
| 69 | G | 75.3 | Confident | 70.7 | Confident | 12 Ų | 12 | 84.9 Ų | 84.9 | 12% | 0.124 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -96.4 | -170.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q48 M49 I65 T71 | Q48-G69 CarbonylContact O-C 3.56Å; Q48-G69 WeakPolarHBondContact O-CA 3.48Å; M49-G69 WeakPolarHBondContact O-CA 3.3Å; I65-G69 PolarHBondContact O-N 3.16Å; G69-T71 PolarHBondContact O-N 3.24Å |
| 70 | L | 87.4 | Confident | 73.3 | Confident | 20 Ų | 20 | 75.2 Ų | 75.2 | 11% | 0.105 | 38% | 0.382 | C | S | . | . | trans | -78.6 | 112.1 | 172.2 | -60.7 | -174.3 | 0 | 0 | 0 | 110.3 | Q48 I72 I73 L124 L227 F228 | Q48-L70 HydrophobicContact CB-CD1 3.96Å; Q48-L70 HydrophobicContact CB-CG 4.28Å; Q48-L70 HydrophobicContact CG-CD1 4.11Å; Q48-L70 PolarHBondContact O-N 2.69Å; L70-I72 HydrophobicContact CB-CG2 4.27Å; L70-I72 PolarHBondContact O-N 3.27Å; L70-I72 VanDerWaalsContact O-N 3.16Å; L70-I73 HydrophobicContact CB-CD1 4.29Å; L70-I73 HydrophobicContact CB-CG1 4.34Å; L70-I73 HydrophobicContact CD1-CD1 4.26Å; L70-I73 PolarHBondContact O-N 2.93Å; L70-I73 VanDerWaalsContact O-N 3.12Å; L70-L124 HydrophobicContact CD1-CD2 3.85Å; L70-L227 HydrophobicContact CD1-CB 4.27Å; L70-L227 HydrophobicContact CD1-CD1 4.39Å; L70-L227 HydrophobicContact CD2-CB 4.23Å; L70-L227 WeakPolarHBondContact CD2-O 3.49Å; L70-F228 HydrophobicContact CD1-CE1 4.45Å; L70-F228 HydrophobicContact CD2-CD1 3.73Å; L70-F228 HydrophobicContact CD2-CE1 3.68Å; L70-F228 HydrophobicContact CD2-CZ 4.49Å; L70-F228 HydrophobicContact CG-CD1 4.31Å; L70-F228 HydrophobicContact CG-CE1 3.73Å; L70-F228 HydrophobicContact CG-CZ 4.3Å | ||
| 71 | T | 85.1 | Confident | 75.8 | Confident | 123 Ų | 123 | 72.9 Ų | 72.9 | 76% | 0.755 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -18 | -177.8 | 55 | 0 | 0 | 0 | 0 | 114.6 | Q66 G69 I73 | Q66-T71 WeakPolarHBondContact O-CG2 3.4Å; G69-T71 PolarHBondContact O-N 3.24Å; T71-I73 PolarHBondContact O-N 3.44Å |
| 72 | I | 90.6 | Very high | 78.2 | Confident | 111 Ų | 111 | 70.5 Ų | 70.5 | 57% | 0.569 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -17.9 | 175.8 | -165.5 | 169.5 | 0 | 0 | 0 | 113 | L70 Q77 I121 L124 | L70-I72 HydrophobicContact CB-CG2 4.27Å; L70-I72 PolarHBondContact O-N 3.27Å; L70-I72 VanDerWaalsContact O-N 3.16Å; I72-Q77 PolarHBondContact O-OE1 3.37Å; I72-I121 HydrophobicContact CG1-CG2 4.47Å; I72-L124 HydrophobicContact CG2-CD2 4.21Å |
| 73 | I | 93.1 | Very high | 80.4 | Confident | 7 Ų | 7 | 70.2 Ų | 70.2 | 4% | 0.036 | 36% | 0.356 | C | S | . | . | trans | -99.4 | 126.8 | 179.6 | -54.5 | 179.3 | 0 | 0 | 0 | 109 | A45 Q48 M49 L70 T71 I78 I121 L124 | A45-I73 HydrophobicContact CB-CG2 4.3Å; Q48-I73 HydrophobicContact CB-CD1 3.45Å; Q48-I73 VanDerWaalsContact CB-CD1 3.45Å; Q48-I73 HydrophobicContact CG-CD1 4.38Å; M49-I73 HydrophobicContact CB-CB 4.46Å; M49-I73 HydrophobicContact CB-CG2 4.17Å; L70-I73 HydrophobicContact CB-CD1 4.29Å; L70-I73 HydrophobicContact CB-CG1 4.34Å; L70-I73 HydrophobicContact CD1-CD1 4.26Å; L70-I73 PolarHBondContact O-N 2.93Å; L70-I73 VanDerWaalsContact O-N 3.12Å; T71-I73 PolarHBondContact O-N 3.44Å; I73-I78 HydrophobicContact CG2-CD1 3.96Å; I73-I78 HydrophobicContact CG2-CG1 4.11Å; I73-I121 HydrophobicContact CG1-CB 4.32Å; I73-I121 HydrophobicContact CG1-CG2 4.26Å; I73-L124 HydrophobicContact CD1-CD2 4.31Å | ||
| 74 | S | 93.4 | Very high | 83 | Confident | 47 Ų | 47 | 65.1 Ų | 65.1 | 33% | 0.329 | 33% | 0.332 | S | S | . | . | trans | -115.2 | 157.7 | 178.4 | 64.3 | 0 | 0 | 0 | 0 | 112.6 | E76 Q77 I78 | S74-E76 PolarHBondContact O-N 3.4Å; S74-Q77 WeakPolarHBondContact O-CB 3.11Å; S74-Q77 PolarHBondContact O-N 3.32Å; S74-Q77 VanDerWaalsContact O-N 3.16Å; S74-Q77 VanDerWaalsContact OG-CG 3.23Å; S74-Q77 WeakPolarHBondContact OG-CG 3.36Å; S74-Q77 PolarHBondContact OG-OE1 3.17Å; S74-Q77 VanDerWaalsContact OG-OE1 3.05Å; S74-I78 PolarHBondContact O-N 3.39Å | ||
| 75 | E | 93.8 | Very high | 85.3 | Confident | 105 Ų | 105 | 63.2 Ų | 63.2 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60 | -34 | 176 | -172.2 | 170.9 | -167 | 0 | 0 | 111.8 | M49 K62 Q77 I78 N79 | M49-E75 HydrophobicContact SD-CB 4.41Å; K62-E75 IonicContact NZ-OE2 3.69Å; E75-Q77 PolarHBondContact O-N 2.59Å; E75-I78 PolarHBondContact O-N 2.99Å; E75-N79 WeakPolarHBondContact O-CB 3.27Å; E75-N79 PolarHBondContact O-N 3.39Å; E75-N79 PolarHBondContact O-ND2 3.46Å |
| 76 | E | 96.2 | Very high | 87.7 | Confident | 116 Ų | 116 | 66.2 Ų | 66.2 | 54% | 0.542 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 175.7 | -171.3 | -179.6 | -173 | 0 | 0 | 111.9 | S74 N79 D80 K117 | S74-E76 PolarHBondContact O-N 3.4Å; E76-N79 PolarHBondContact O-N 3.27Å; E76-D80 WeakPolarHBondContact O-CB 3.33Å; E76-D80 PolarHBondContact O-N 2.95Å; E76-K117 HydrophobicContact CG-CD 3.67Å; E76-K117 VanDerWaalsContact OE1-CD 3.31Å; E76-K117 WeakPolarHBondContact OE1-CD 3.48Å; E76-K117 VanDerWaalsContact OE1-CE 3.32Å; E76-K117 WeakPolarHBondContact OE1-CE 3.15Å; E76-K117 IonicContact OE1-NZ 3.15Å; E76-K117 PolarHBondContact OE1-NZ 2.84Å |
| 77 | Q | 97.3 | Very high | 90.2 | Very high | 29 Ų | 29 | 65.1 Ų | 65.1 | 14% | 0.136 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66 | -42.7 | 177.2 | -66.2 | 172.6 | -57.4 | 0 | 0 | 111.8 | I72 S74 E75 N79 D80 M81 K117 A118 I121 | I72-Q77 PolarHBondContact O-OE1 3.37Å; S74-Q77 WeakPolarHBondContact O-CB 3.11Å; S74-Q77 PolarHBondContact O-N 3.32Å; S74-Q77 VanDerWaalsContact O-N 3.16Å; S74-Q77 VanDerWaalsContact OG-CG 3.23Å; S74-Q77 WeakPolarHBondContact OG-CG 3.36Å; S74-Q77 PolarHBondContact OG-OE1 3.17Å; S74-Q77 VanDerWaalsContact OG-OE1 3.05Å; E75-Q77 PolarHBondContact O-N 2.59Å; Q77-N79 VanDerWaalsContact C-N 3.34Å; Q77-D80 WeakPolarHBondContact O-CB 3.39Å; Q77-D80 PolarHBondContact O-N 2.89Å; Q77-M81 WeakPolarHBondContact O-CG 3.43Å; Q77-M81 PolarHBondContact O-N 3.36Å; Q77-M81 VanDerWaalsContact O-N 3.11Å; Q77-K117 HydrophobicContact CG-CB 4.42Å; Q77-K117 VanDerWaalsContact CG-O 3.29Å; Q77-K117 WeakPolarHBondContact CG-O 3.38Å; Q77-K117 PolarHBondContact NE2-O 3.43Å; Q77-K117 VanDerWaalsContact NE2-O 3.15Å; Q77-A118 HydrophobicContact CB-CB 4.4Å; Q77-I121 HydrophobicContact CB-CD1 4.46Å; Q77-I121 HydrophobicContact CB-CG1 4.31Å |
| 78 | I | 96.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.4 | -41 | 177.6 | -69 | 164.8 | 0 | 0 | 0 | 110.8 | T42 A45 E46 M49 I73 S74 E75 M81 K82 | T42-I78 HydrophobicContact CG2-CG2 4.38Å; A45-I78 HydrophobicContact CB-CG1 3.96Å; E46-I78 HydrophobicContact CG-CD1 4.16Å; E46-I78 HydrophobicContact CG-CG2 3.61Å; M49-I78 HydrophobicContact CB-CD1 4.06Å; M49-I78 HydrophobicContact CE-CD1 3.7Å; M49-I78 HydrophobicContact CG-CD1 4.44Å; M49-I78 HydrophobicContact SD-CD1 3.59Å; M49-I78 VanDerWaalsContact SD-CD1 3.59Å; I73-I78 HydrophobicContact CG2-CD1 3.96Å; I73-I78 HydrophobicContact CG2-CG1 4.11Å; S74-I78 PolarHBondContact O-N 3.39Å; E75-I78 PolarHBondContact O-N 2.99Å; I78-M81 WeakPolarHBondContact O-CB 3.22Å; I78-M81 PolarHBondContact O-N 3.28Å; I78-K82 HydrophobicContact CG2-CD 4.4Å; I78-K82 WeakPolarHBondContact O-CG 3.17Å; I78-K82 PolarHBondContact O-N 2.94Å; I78-K82 VanDerWaalsContact O-N 3.13Å |
| 79 | N | 97.6 | Very high | 94.4 | Very high | 75 Ų | 75 | 61 Ų | 61 | 40% | 0.401 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 177.6 | -71 | -21.3 | 0 | 0 | 0 | 111.6 | E75 E76 Q77 M81 K82 E83 | E75-N79 WeakPolarHBondContact O-CB 3.27Å; E75-N79 PolarHBondContact O-N 3.39Å; E75-N79 PolarHBondContact O-ND2 3.46Å; E76-N79 PolarHBondContact O-N 3.27Å; Q77-N79 VanDerWaalsContact C-N 3.34Å; N79-M81 VanDerWaalsContact C-N 3.3Å; N79-M81 PolarHBondContact O-N 2.93Å; N79-K82 PolarHBondContact O-N 2.96Å; N79-K82 VanDerWaalsContact O-N 3.11Å; N79-E83 PolarHBondContact O-N 3.16Å |
| 80 | D | 98.1 | Very high | 95.4 | Very high | 11 Ų | 11 | 65.2 Ų | 65.2 | 6% | 0.059 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.2 | -38.8 | 174.7 | -164.7 | 48.7 | 0 | 0 | 0 | 112 | E76 Q77 H84 A115 V116 K117 | E76-D80 WeakPolarHBondContact O-CB 3.33Å; E76-D80 PolarHBondContact O-N 2.95Å; Q77-D80 WeakPolarHBondContact O-CB 3.39Å; Q77-D80 PolarHBondContact O-N 2.89Å; D80-H84 PolarHBondContact O-N 3.28Å; D80-H84 PolarHBondContact O-ND1 2.99Å; D80-H84 IonicContact OD1-CE1 3.94Å; D80-H84 PolarHBondContact OD1-CE1 2.84Å; D80-H84 VanDerWaalsContact OD1-CE1 3.26Å; D80-H84 IonicContact OD1-ND1 3.78Å; D80-H84 PolarHBondContact OD1-ND1 2.85Å; D80-A115 WeakPolarHBondContact OD2-CA 3.35Å; D80-V116 PolarHBondContact OD2-N 3.29Å; D80-K117 HydrophobicContact CB-CB 4Å; D80-K117 HydrophobicContact CB-CD 4.27Å; D80-K117 HydrophobicContact CB-CG 4.35Å; D80-K117 WeakPolarHBondContact OD2-CA 3.31Å; D80-K117 VanDerWaalsContact OD2-CB 3.28Å; D80-K117 WeakPolarHBondContact OD2-CB 3.41Å; D80-K117 PolarHBondContact OD2-N 3.22Å |
| 81 | M | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 173.1 | -65.5 | 171.7 | 68.5 | 0 | 0 | 112.7 | W41 A45 Q77 I78 N79 A85 F111 A115 A118 I121 I122 | W41-M81 VanDerWaalsContact C-CE 3.47Å; W41-M81 HydrophobicContact CB-CE 3.71Å; A45-M81 HydrophobicContact CB-SD 4.18Å; Q77-M81 WeakPolarHBondContact O-CG 3.43Å; Q77-M81 PolarHBondContact O-N 3.36Å; Q77-M81 VanDerWaalsContact O-N 3.11Å; I78-M81 WeakPolarHBondContact O-CB 3.22Å; I78-M81 PolarHBondContact O-N 3.28Å; N79-M81 VanDerWaalsContact C-N 3.3Å; N79-M81 PolarHBondContact O-N 2.93Å; M81-A85 WeakPolarHBondContact O-CA 3.35Å; M81-A85 PolarHBondContact O-N 2.88Å; M81-A85 VanDerWaalsContact O-N 3.14Å; M81-F111 HydrophobicContact CB-CE1 4.28Å; M81-F111 HydrophobicContact CB-CZ 3.87Å; M81-F111 HydrophobicContact CE-CE1 3.9Å; M81-F111 HydrophobicContact CG-CE1 4.27Å; M81-F111 HydrophobicContact CG-CZ 4.24Å; M81-F111 WeakPolarHBondContact O-CZ 3.42Å; M81-A115 HydrophobicContact CG-CB 4.41Å; M81-A118 HydrophobicContact CG-CB 3.33Å; M81-A118 HydrophobicContact SD-CB 3.9Å; M81-I121 HydrophobicContact SD-CD1 3.7Å; M81-I122 HydrophobicContact CE-CG1 4.01Å; M81-I122 HydrophobicContact SD-CG1 4.23Å |
| 82 | K | 98.1 | Very high | 96.4 | Very high | 92 Ų | 92 | 63.7 Ų | 63.7 | 40% | 0.4 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.4 | -44.2 | -179.8 | -72.1 | 172.4 | -179.8 | 173.8 | 0 | 111.8 | T42 E46 I78 N79 H84 A85 | T42-K82 HydrophobicContact CG2-CD 4.41Å; T42-K82 HydrophobicContact CG2-CG 3.69Å; E46-K82 WeakPolarHBondContact OE1-CE 3.39Å; E46-K82 IonicContact OE1-NZ 3.4Å; E46-K82 PolarHBondContact OE1-NZ 2.71Å; I78-K82 HydrophobicContact CG2-CD 4.4Å; I78-K82 WeakPolarHBondContact O-CG 3.17Å; I78-K82 PolarHBondContact O-N 2.94Å; I78-K82 VanDerWaalsContact O-N 3.13Å; N79-K82 PolarHBondContact O-N 2.96Å; N79-K82 VanDerWaalsContact O-N 3.11Å; K82-H84 VanDerWaalsContact C-N 3.33Å; K82-H84 PolarHBondContact O-N 3.41Å; K82-A85 WeakPolarHBondContact O-CB 3.47Å; K82-A85 PolarHBondContact O-N 2.96Å |
| 83 | E | 98 | Very high | 96.7 | Very high | 145 Ų | 145 | 58.6 Ų | 58.6 | 68% | 0.678 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.4 | -43.9 | 179.8 | -173.4 | 171.2 | -175.2 | 0 | 0 | 111.1 | N79 A85 | N79-E83 PolarHBondContact O-N 3.16Å; E83-A85 PolarHBondContact O-N 3.21Å |
| 84 | H | 98.1 | Very high | 96.8 | Very high | 34 Ų | 34 | 66 Ų | 66 | 16% | 0.157 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 14.3 | -178.1 | -56.9 | 89 | 0 | 0 | 0 | 113.7 | R38 D80 K82 E86 E87 F111 V114 A115 | R38-H84 PolarHBondContact NH1-O 3.37Å; D80-H84 PolarHBondContact O-N 3.28Å; D80-H84 PolarHBondContact O-ND1 2.99Å; D80-H84 IonicContact OD1-CE1 3.94Å; D80-H84 PolarHBondContact OD1-CE1 2.84Å; D80-H84 VanDerWaalsContact OD1-CE1 3.26Å; D80-H84 IonicContact OD1-ND1 3.78Å; D80-H84 PolarHBondContact OD1-ND1 2.85Å; K82-H84 VanDerWaalsContact C-N 3.33Å; K82-H84 PolarHBondContact O-N 3.41Å; H84-E86 VanDerWaalsContact C-N 3.28Å; H84-E86 PolarHBondContact O-N 3Å; H84-E87 IonicContact CD2-OE1 2.81Å; H84-E87 IonicContact CD2-OE2 2.69Å; H84-E87 PolarHBondContact CD2-OE2 2.97Å; H84-E87 PolarHBondContact O-N 3.36Å; H84-F111 HydrophobicContact CB-CE2 4.44Å; H84-V114 HydrophobicContact CB-CB 4.06Å; H84-V114 HydrophobicContact CB-CG2 3.84Å; H84-A115 HydrophobicContact CB-CB 4.47Å |
| 85 | A | 96.8 | Very high | 97 | Very high | 19 Ų | 19 | 67.2 Ų | 67.2 | 16% | 0.157 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -38.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R38 M81 K82 E83 | R38-A85 WeakPolarHBondContact CD-O 3.47Å; R38-A85 PolarHBondContact NH1-O 3.49Å; M81-A85 WeakPolarHBondContact O-CA 3.35Å; M81-A85 PolarHBondContact O-N 2.88Å; M81-A85 VanDerWaalsContact O-N 3.14Å; K82-A85 WeakPolarHBondContact O-CB 3.47Å; K82-A85 PolarHBondContact O-N 2.96Å; E83-A85 PolarHBondContact O-N 3.21Å |
| 86 | E | 97.4 | Very high | 97.2 | Very high | 130 Ų | 130 | 63.4 Ų | 63.4 | 61% | 0.607 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -7.3 | -178.5 | -60.2 | -159.3 | -158.2 | 0 | 0 | 114.7 | R31 L35 H84 I88 | R31-E86 IonicContact CZ-OE2 3.16Å; R31-E86 IonicContact NH2-OE2 2.7Å; R31-E86 PolarHBondContact NH2-OE2 3.31Å; L35-E86 HydrophobicContact CD2-CB 4.37Å; L35-E86 HydrophobicContact CD2-CG 3.98Å; H84-E86 VanDerWaalsContact C-N 3.28Å; H84-E86 PolarHBondContact O-N 3Å; E86-I88 PolarHBondContact O-N 3.45Å; E86-I88 VanDerWaalsContact O-N 3.16Å |
| 87 | E | 97.4 | Very high | 97.2 | Very high | 100 Ų | 100 | 61.7 Ų | 61.7 | 47% | 0.467 | 31% | 0.308 | S | S | . | . | trans | -83.2 | 89.5 | -177 | -65 | -171.2 | -157.9 | 0 | 0 | 112.1 | R38 H84 | R38-E87 VanDerWaalsContact CZ-O 3.24Å; R38-E87 PolarHBondContact NH1-O 2.94Å; R38-E87 PolarHBondContact NH2-O 3.17Å; H84-E87 IonicContact CD2-OE1 2.81Å; H84-E87 IonicContact CD2-OE2 2.69Å; H84-E87 PolarHBondContact CD2-OE2 2.97Å; H84-E87 PolarHBondContact O-N 3.36Å | ||
| 88 | I | 96.9 | Very high | 97.2 | Very high | 24 Ų | 24 | 67.9 Ų | 67.9 | 12% | 0.123 | 33% | 0.334 | C | S | . | . | trans | -107.6 | 109.4 | -175.3 | -53 | 164.9 | 0 | 0 | 0 | 110.8 | R31 V34 L35 E86 W90 | R31-I88 HydrophobicContact CG-CD1 4.37Å; V34-I88 HydrophobicContact CB-CD1 4.04Å; V34-I88 HydrophobicContact CG1-CD1 3.64Å; V34-I88 HydrophobicContact CG1-CG1 4.02Å; V34-I88 HydrophobicContact CG1-CG2 4.33Å; L35-I88 HydrophobicContact CD2-CD1 4.31Å; E86-I88 PolarHBondContact O-N 3.45Å; E86-I88 VanDerWaalsContact O-N 3.16Å; I88-W90 HydrophobicContact CB-CZ2 4.14Å; I88-W90 HydrophobicContact CD1-CH2 4.22Å; I88-W90 HydrophobicContact CD1-CZ2 3.77Å; I88-W90 HydrophobicContact CG2-CD2 3.7Å; I88-W90 HydrophobicContact CG2-CE3 3.97Å; I88-W90 HydrophobicContact CG2-CG 4.25Å; I88-W90 HydrophobicContact CG2-CH2 4Å; I88-W90 HydrophobicContact CG2-CZ2 3.74Å; I88-W90 HydrophobicContact CG2-CZ3 4.1Å; I88-W90 PolarHBondContact O-N 3.48Å; I88-W90 VanDerWaalsContact O-N 3.16Å | ||
| 89 | D | 96 | Very high | 97.2 | Very high | 78 Ų | 78 | 74.2 Ų | 74.2 | 42% | 0.417 | 36% | 0.364 | S | S | . | . | trans | -80.4 | 89.3 | 168.8 | -173.7 | -16.3 | 0 | 0 | 0 | 110.7 | A91 L92 V93 | D89-A91 VanDerWaalsContact C-N 3.28Å; D89-A91 PolarHBondContact O-N 3.48Å; D89-A91 PolarHBondContact OD1-N 3.23Å; D89-A91 VanDerWaalsContact OD1-N 3.12Å; D89-L92 HydrophobicContact CB-CB 3.91Å; D89-L92 PolarHBondContact O-N 3Å; D89-L92 PolarHBondContact OD1-N 3.09Å; D89-L92 WeakPolarHBondContact OD2-CB 3.28Å; D89-V93 WeakPolarHBondContact O-CG2 3.19Å; D89-V93 PolarHBondContact O-N 3.47Å | ||
| 90 | W | 96.5 | Very high | 97.1 | Very high | 99 Ų | 99 | 74.3 Ų | 74.3 | 38% | 0.375 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.3 | -32.7 | 179.9 | -63.2 | 105.7 | 0 | 0 | 0 | 113.6 | E30 R31 V34 I88 K94 | E30-W90 HydrophobicContact CB-CH2 4.39Å; E30-W90 HydrophobicContact CG-CH2 3.9Å; E30-W90 HydrophobicContact CG-CZ3 3.67Å; R31-W90 HydrophobicContact CB-CH2 4.48Å; R31-W90 HydrophobicContact CB-CZ2 4.11Å; R31-W90 HydrophobicContact CG-CZ2 4.36Å; V34-W90 HydrophobicContact CB-CH2 4.35Å; V34-W90 HydrophobicContact CG2-CH2 3.93Å; V34-W90 HydrophobicContact CG2-CZ3 4.12Å; I88-W90 HydrophobicContact CB-CZ2 4.14Å; I88-W90 HydrophobicContact CD1-CH2 4.22Å; I88-W90 HydrophobicContact CD1-CZ2 3.77Å; I88-W90 HydrophobicContact CG2-CD2 3.7Å; I88-W90 HydrophobicContact CG2-CE3 3.97Å; I88-W90 HydrophobicContact CG2-CG 4.25Å; I88-W90 HydrophobicContact CG2-CH2 4Å; I88-W90 HydrophobicContact CG2-CZ2 3.74Å; I88-W90 HydrophobicContact CG2-CZ3 4.1Å; I88-W90 PolarHBondContact O-N 3.48Å; I88-W90 VanDerWaalsContact O-N 3.16Å; W90-K94 WeakPolarHBondContact O-CB 3.42Å; W90-K94 PolarHBondContact O-N 3.13Å |
| 91 | A | 96.8 | Very high | 96.9 | Very high | 68 Ų | 68 | 83.8 Ų | 83.8 | 56% | 0.562 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -70.9 | -41.2 | 180 | 0 | 0 | 0 | 0 | 0 | 110.9 | D89 T95 | D89-A91 VanDerWaalsContact C-N 3.28Å; D89-A91 PolarHBondContact O-N 3.48Å; D89-A91 PolarHBondContact OD1-N 3.23Å; D89-A91 VanDerWaalsContact OD1-N 3.12Å; A91-T95 WeakPolarHBondContact O-CB 3.48Å; A91-T95 PolarHBondContact O-N 3.44Å; A91-T95 VanDerWaalsContact O-N 3.08Å; A91-T95 PolarHBondContact O-OG1 2.82Å |
| 92 | L | 96.9 | Very high | 96.7 | Very high | 44 Ų | 44 | 86.9 Ų | 86.9 | 23% | 0.23 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65 | -47.5 | 173.6 | 177.3 | 63.8 | 0 | 0 | 0 | 111.3 | D89 K94 T95 L96 A110 R113 | D89-L92 HydrophobicContact CB-CB 3.91Å; D89-L92 PolarHBondContact O-N 3Å; D89-L92 PolarHBondContact OD1-N 3.09Å; D89-L92 WeakPolarHBondContact OD2-CB 3.28Å; L92-K94 VanDerWaalsContact C-N 3.33Å; L92-K94 PolarHBondContact O-N 3.49Å; L92-T95 WeakPolarHBondContact O-CB 3.45Å; L92-T95 PolarHBondContact O-N 3.35Å; L92-T95 VanDerWaalsContact O-N 3.11Å; L92-L96 HydrophobicContact CD1-CD1 3.85Å; L92-L96 HydrophobicContact CD1-CD2 4.4Å; L92-L96 HydrophobicContact CD1-CG 3.87Å; L92-L96 HydrophobicContact CD2-CD1 4.27Å; L92-L96 HydrophobicContact CG-CD1 3.71Å; L92-L96 HydrophobicContact CG-CG 4.17Å; L92-L96 WeakPolarHBondContact O-CB 3.35Å; L92-L96 WeakPolarHBondContact O-CG 3.37Å; L92-L96 PolarHBondContact O-N 3.32Å; L92-A110 HydrophobicContact CD2-CB 4.16Å; L92-A110 HydrophobicContact CG-CB 4.42Å; L92-R113 HydrophobicContact CD2-CB 4.22Å; L92-R113 HydrophobicContact CD2-CG 3.93Å |
| 93 | V | 97 | Very high | 96.6 | Very high | 3 Ų | 3 | 83.4 Ų | 83.4 | 2% | 0.018 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -53.3 | -51 | 176.8 | 168.1 | 0 | 0 | 0 | 0 | 110.5 | D89 T95 L96 E97 H107 A110 | D89-V93 WeakPolarHBondContact O-CG2 3.19Å; D89-V93 PolarHBondContact O-N 3.47Å; V93-T95 VanDerWaalsContact C-N 3.29Å; V93-T95 PolarHBondContact O-N 3.32Å; V93-L96 PolarHBondContact O-N 3.38Å; V93-E97 WeakPolarHBondContact O-CB 3.48Å; V93-E97 PolarHBondContact O-N 2.86Å; V93-H107 VanDerWaalsContact CG1-CE1 3.48Å; V93-H107 WeakPolarHBondContact CG1-CE1 3.27Å; V93-H107 WeakPolarHBondContact CG1-NE2 3.44Å; V93-A110 HydrophobicContact CG2-CB 3.5Å |
| 94 | K | 95.9 | Very high | 96.6 | Very high | 162 Ų | 162 | 76.5 Ų | 76.5 | 70% | 0.704 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.2 | -38.4 | 179.2 | -174.7 | 175.4 | -177 | 174.4 | 0 | 112.6 | W90 L92 K98 | W90-K94 WeakPolarHBondContact O-CB 3.42Å; W90-K94 PolarHBondContact O-N 3.13Å; L92-K94 VanDerWaalsContact C-N 3.33Å; L92-K94 PolarHBondContact O-N 3.49Å; K94-K98 WeakPolarHBondContact O-CB 3.43Å; K94-K98 PolarHBondContact O-N 3.44Å; K94-K98 VanDerWaalsContact O-N 3.14Å |
| 95 | T | 97.6 | Very high | 96.6 | Very high | 74 Ų | 74 | 77.6 Ų | 77.6 | 45% | 0.454 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.3 | -47.6 | 177.1 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | A91 L92 V93 K98 Q99 | A91-T95 WeakPolarHBondContact O-CB 3.48Å; A91-T95 PolarHBondContact O-N 3.44Å; A91-T95 VanDerWaalsContact O-N 3.08Å; A91-T95 PolarHBondContact O-OG1 2.82Å; L92-T95 WeakPolarHBondContact O-CB 3.45Å; L92-T95 PolarHBondContact O-N 3.35Å; L92-T95 VanDerWaalsContact O-N 3.11Å; V93-T95 VanDerWaalsContact C-N 3.29Å; V93-T95 PolarHBondContact O-N 3.32Å; T95-K98 PolarHBondContact O-N 3.07Å; T95-Q99 WeakPolarHBondContact O-CG 3.31Å; T95-Q99 PolarHBondContact O-N 3.14Å; T95-Q99 VanDerWaalsContact O-N 3.11Å |
| 96 | L | 97.1 | Very high | 96.6 | Very high | 25 Ų | 25 | 76.7 Ų | 76.7 | 13% | 0.131 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 178.8 | -69.4 | 172.2 | 0 | 0 | 0 | 111.6 | L92 V93 K98 Q99 M100 A106 H109 A110 | L92-L96 HydrophobicContact CD1-CD1 3.85Å; L92-L96 HydrophobicContact CD1-CD2 4.4Å; L92-L96 HydrophobicContact CD1-CG 3.87Å; L92-L96 HydrophobicContact CD2-CD1 4.27Å; L92-L96 HydrophobicContact CG-CD1 3.71Å; L92-L96 HydrophobicContact CG-CG 4.17Å; L92-L96 WeakPolarHBondContact O-CB 3.35Å; L92-L96 WeakPolarHBondContact O-CG 3.37Å; L92-L96 PolarHBondContact O-N 3.32Å; V93-L96 PolarHBondContact O-N 3.38Å; L96-K98 VanDerWaalsContact C-N 3.34Å; L96-K98 PolarHBondContact O-N 2.83Å; L96-Q99 PolarHBondContact O-N 3.21Å; L96-Q99 VanDerWaalsContact O-N 3.15Å; L96-M100 WeakPolarHBondContact O-CB 3.3Å; L96-M100 VanDerWaalsContact O-CG 3.31Å; L96-M100 WeakPolarHBondContact O-CG 3.1Å; L96-M100 PolarHBondContact O-N 3.15Å; L96-A106 HydrophobicContact CB-CB 3.75Å; L96-A106 WeakPolarHBondContact CD1-O 3.2Å; L96-H109 HydrophobicContact CD1-CB 3.84Å; L96-A110 HydrophobicContact CD1-CB 4.16Å |
| 97 | E | 96.7 | Very high | 96.6 | Very high | 79 Ų | 79 | 70.6 Ų | 70.6 | 37% | 0.369 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 178 | -173.6 | 179 | 174.5 | 0 | 0 | 111.3 | V93 Q99 R101 A106 | V93-E97 WeakPolarHBondContact O-CB 3.48Å; V93-E97 PolarHBondContact O-N 2.86Å; E97-Q99 VanDerWaalsContact C-N 3.29Å; E97-Q99 PolarHBondContact O-N 3.36Å; E97-R101 VanDerWaalsContact O-CA 3.3Å; E97-R101 WeakPolarHBondContact O-CA 3.37Å; E97-R101 PolarHBondContact O-N 3.44Å; E97-A106 HydrophobicContact CB-CB 3.76Å |
| 98 | K | 97 | Very high | 96.7 | Very high | 159 Ų | 159 | 66 Ų | 66 | 69% | 0.691 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.6 | -38.4 | 174.5 | -175.9 | 179.5 | 179.9 | -177.9 | 0 | 112.2 | K94 T95 L96 R101 | K94-K98 WeakPolarHBondContact O-CB 3.43Å; K94-K98 PolarHBondContact O-N 3.44Å; K94-K98 VanDerWaalsContact O-N 3.14Å; T95-K98 PolarHBondContact O-N 3.07Å; L96-K98 VanDerWaalsContact C-N 3.34Å; L96-K98 PolarHBondContact O-N 2.83Å; K98-R101 PolarHBondContact O-NE 2.8Å |
| 99 | Q | 96.6 | Very high | 96.7 | Very high | 137 Ų | 137 | 68 Ų | 68 | 64% | 0.64 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -74.4 | -49.3 | 179.8 | -72.5 | 172.6 | -10 | 0 | 0 | 112 | T95 L96 E97 | T95-Q99 WeakPolarHBondContact O-CG 3.31Å; T95-Q99 PolarHBondContact O-N 3.14Å; T95-Q99 VanDerWaalsContact O-N 3.11Å; L96-Q99 PolarHBondContact O-N 3.21Å; L96-Q99 VanDerWaalsContact O-N 3.15Å; E97-Q99 VanDerWaalsContact C-N 3.29Å; E97-Q99 PolarHBondContact O-N 3.36Å |
| 100 | M | 95.1 | Very high | 96.8 | Very high | 77 Ų | 77 | 64.4 Ų | 64.4 | 38% | 0.379 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -88.3 | -17.8 | -170 | -60.4 | -177.8 | 75.1 | 0 | 0 | 113.6 | L96 H102 M105 H109 | L96-M100 WeakPolarHBondContact O-CB 3.3Å; L96-M100 VanDerWaalsContact O-CG 3.31Å; L96-M100 WeakPolarHBondContact O-CG 3.1Å; L96-M100 PolarHBondContact O-N 3.15Å; M100-H102 PolarHBondContact O-N 2.99Å; M100-M105 HydrophobicContact CE-CB 3.7Å; M100-M105 HydrophobicContact SD-CB 4.39Å; M100-H109 VanDerWaalsContact CE-CD2 3.48Å; M100-H109 WeakPolarHBondContact CE-CD2 3.31Å; M100-H109 VanDerWaalsContact SD-CD2 3.5Å |
| 101 | R | 94.9 | Very high | 96.8 | Very high | 210 Ų | 210 | 59.7 Ų | 59.7 | 79% | 0.792 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 55.9 | 31.2 | -174.3 | -53 | -59.4 | -173.1 | 147.1 | 4.1 | 113.1 | E97 K98 | E97-R101 VanDerWaalsContact O-CA 3.3Å; E97-R101 WeakPolarHBondContact O-CA 3.37Å; E97-R101 PolarHBondContact O-N 3.44Å; K98-R101 PolarHBondContact O-NE 2.8Å |
| 102 | H | 94.7 | Very high | 96.9 | Very high | 65 Ų | 65 | 57.6 Ų | 57.6 | 30% | 0.301 | 27% | 0.265 | S | S | . | . | trans | -146.2 | 113.4 | -179.5 | -166.3 | -39.2 | 0 | 0 | 0 | 110.7 | M100 V104 M105 A106 S128 | M100-H102 PolarHBondContact O-N 2.99Å; H102-V104 PolarHBondContact ND1-N 2.64Å; H102-M105 HydrophobicContact CB-CB 4.22Å; H102-M105 HydrophobicContact CB-CG 4.44Å; H102-M105 PolarHBondContact ND1-N 3.05Å; H102-A106 WeakPolarHBondContact O-CB 3.47Å; H102-A106 PolarHBondContact O-N 3.46Å; H102-S128 PolarHBondContact CE1-OG 2.7Å; H102-S128 PolarHBondContact NE2-OG 3.14Å | ||
| 103 | D | 95.5 | Very high | 96.9 | Very high | 20 Ų | 20 | 64.2 Ų | 64.2 | 11% | 0.107 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.2 | -50.2 | -175.7 | 60.4 | -12.6 | 0 | 0 | 0 | 113 | M105 A106 H107 Q132 R359 | D103-M105 PolarHBondContact O-N 3.43Å; D103-A106 WeakPolarHBondContact O-CB 3.32Å; D103-A106 PolarHBondContact O-N 3.2Å; D103-H107 PolarHBondContact O-CD2 3.32Å; D103-H107 PolarHBondContact O-N 2.99Å; D103-H107 VanDerWaalsContact O-N 3.09Å; D103-Q132 PolarHBondContact OD1-NE2 3.05Å; D103-Q132 PolarHBondContact OD2-NE2 3.49Å; D103-R359 IonicContact OD2-CZ 3.28Å; D103-R359 IonicContact OD2-NH1 2.85Å; D103-R359 IonicContact OD2-NH2 3.32Å; D103-R359 PolarHBondContact OD2-NH2 2.86Å |
| 104 | V | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 179.8 | -179.4 | 0 | 0 | 0 | 0 | 111.7 | W37 W41 H102 A106 H107 V108 V131 Q132 | W37-V104 HydrophobicContact CH2-CG2 3.89Å; W37-V104 HydrophobicContact CZ2-CG2 4.45Å; W37-V104 HydrophobicContact CZ3-CB 4.44Å; W37-V104 HydrophobicContact CZ3-CG2 3.96Å; W41-V104 HydrophobicContact CZ2-CG1 3.86Å; H102-V104 PolarHBondContact ND1-N 2.64Å; V104-A106 VanDerWaalsContact C-N 3.33Å; V104-A106 PolarHBondContact O-N 2.79Å; V104-H107 CarbonylContact O-C 3.43Å; V104-H107 PolarHBondContact O-N 3.05Å; V104-H107 VanDerWaalsContact O-N 3.13Å; V104-V108 HydrophobicContact CG1-CG2 4.37Å; V104-V108 WeakPolarHBondContact O-CG2 3.18Å; V104-V108 PolarHBondContact O-N 3.5Å; V104-V131 HydrophobicContact CB-CG2 4.49Å; V104-V131 HydrophobicContact CG1-CG2 3.64Å; V104-V131 HydrophobicContact CG2-CG2 3.99Å; V104-Q132 HydrophobicContact CG2-CG 3.72Å |
| 105 | M | 97.5 | Very high | 96.9 | Very high | 56 Ų | 56 | 58 Ų | 58 | 28% | 0.276 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.2 | -33.8 | -179.3 | -67.5 | -53.3 | -56.7 | 0 | 0 | 113 | M100 H102 D103 H107 V108 H109 | M100-M105 HydrophobicContact CE-CB 3.7Å; M100-M105 HydrophobicContact SD-CB 4.39Å; H102-M105 HydrophobicContact CB-CB 4.22Å; H102-M105 HydrophobicContact CB-CG 4.44Å; H102-M105 PolarHBondContact ND1-N 3.05Å; D103-M105 PolarHBondContact O-N 3.43Å; M105-H107 VanDerWaalsContact C-N 3.31Å; M105-H107 PolarHBondContact O-N 3Å; M105-V108 HydrophobicContact CE-CB 4.46Å; M105-V108 HydrophobicContact CE-CG1 4.43Å; M105-V108 PolarHBondContact O-N 2.92Å; M105-V108 HydrophobicContact SD-CG2 4.44Å; M105-H109 PolarHBondContact O-CD2 3Å; M105-H109 VanDerWaalsContact O-CD2 3.25Å; M105-H109 PolarHBondContact O-N 3.4Å |
| 106 | A | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L96 E97 H102 D103 V104 A110 | L96-A106 HydrophobicContact CB-CB 3.75Å; L96-A106 WeakPolarHBondContact CD1-O 3.2Å; E97-A106 HydrophobicContact CB-CB 3.76Å; H102-A106 WeakPolarHBondContact O-CB 3.47Å; H102-A106 PolarHBondContact O-N 3.46Å; D103-A106 WeakPolarHBondContact O-CB 3.32Å; D103-A106 PolarHBondContact O-N 3.2Å; V104-A106 VanDerWaalsContact C-N 3.33Å; V104-A106 PolarHBondContact O-N 2.79Å; A106-A110 VanDerWaalsContact O-CB 3.29Å; A106-A110 WeakPolarHBondContact O-CB 3.4Å; A106-A110 PolarHBondContact O-N 3.43Å |
| 107 | H | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.3 | -35.9 | 175.3 | -83.3 | -75.3 | 0 | 0 | 0 | 113.8 | V34 W37 W41 V93 D103 V104 M105 F111 | V34-H107 WeakPolarHBondContact CG2-CE1 3.38Å; W37-H107 HydrophobicContact CE3-CB 4.04Å; W37-H107 AromaticContact CE3-CD2 3.97Å; W37-H107 HydrophobicContact CZ3-CB 4.14Å; W37-H107 AromaticContact CZ3-CD2 3.48Å; W37-H107 VanDerWaalsContact CZ3-CD2 3.48Å; W37-H107 WeakPolarHBondContact CZ3-CD2 3.28Å; W37-H107 AromaticContact CZ3-CG 3.96Å; W41-H107 HydrophobicContact CH2-CB 3.95Å; W41-H107 HydrophobicContact CZ3-CB 4.48Å; V93-H107 VanDerWaalsContact CG1-CE1 3.48Å; V93-H107 WeakPolarHBondContact CG1-CE1 3.27Å; V93-H107 WeakPolarHBondContact CG1-NE2 3.44Å; D103-H107 PolarHBondContact O-CD2 3.32Å; D103-H107 PolarHBondContact O-N 2.99Å; D103-H107 VanDerWaalsContact O-N 3.09Å; V104-H107 CarbonylContact O-C 3.43Å; V104-H107 PolarHBondContact O-N 3.05Å; V104-H107 VanDerWaalsContact O-N 3.13Å; M105-H107 VanDerWaalsContact C-N 3.31Å; M105-H107 PolarHBondContact O-N 3Å; H107-F111 VanDerWaalsContact O-CB 3.3Å; H107-F111 WeakPolarHBondContact O-CB 3.39Å; H107-F111 PolarHBondContact O-N 2.9Å |
| 108 | V | 97.9 | Very high | 97 | Very high | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.03 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.3 | -56 | 173 | 169.4 | 0 | 0 | 0 | 0 | 109.4 | W41 V104 M105 A110 F111 E112 I122 H123 | W41-V108 HydrophobicContact CH2-CG2 3.83Å; W41-V108 HydrophobicContact CZ2-CG2 3.37Å; V104-V108 HydrophobicContact CG1-CG2 4.37Å; V104-V108 WeakPolarHBondContact O-CG2 3.18Å; V104-V108 PolarHBondContact O-N 3.5Å; M105-V108 HydrophobicContact CE-CB 4.46Å; M105-V108 HydrophobicContact CE-CG1 4.43Å; M105-V108 PolarHBondContact O-N 2.92Å; M105-V108 HydrophobicContact SD-CG2 4.44Å; V108-A110 VanDerWaalsContact C-N 3.34Å; V108-A110 PolarHBondContact O-N 3.32Å; V108-F111 PolarHBondContact O-N 3.47Å; V108-E112 HydrophobicContact CG1-CG 4.4Å; V108-E112 WeakPolarHBondContact O-CG 3.44Å; V108-E112 PolarHBondContact O-N 3.45Å; V108-I122 HydrophobicContact CB-CG2 4.49Å; V108-I122 HydrophobicContact CG1-CB 4.47Å; V108-I122 HydrophobicContact CG1-CG2 3.96Å; V108-I122 HydrophobicContact CG2-CG2 4.28Å; V108-H123 HydrophobicContact CG2-CB 4.08Å |
| 109 | H | 97.4 | Very high | 96.9 | Very high | 66 Ų | 66 | 58 Ų | 58 | 31% | 0.306 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65 | -35.9 | -178.8 | -74.4 | -53.2 | 0 | 0 | 0 | 113.2 | L96 M100 M105 F111 E112 R113 | L96-H109 HydrophobicContact CD1-CB 3.84Å; M100-H109 VanDerWaalsContact CE-CD2 3.48Å; M100-H109 WeakPolarHBondContact CE-CD2 3.31Å; M100-H109 VanDerWaalsContact SD-CD2 3.5Å; M105-H109 PolarHBondContact O-CD2 3Å; M105-H109 VanDerWaalsContact O-CD2 3.25Å; M105-H109 PolarHBondContact O-N 3.4Å; H109-F111 VanDerWaalsContact C-N 3.29Å; H109-F111 PolarHBondContact O-N 2.91Å; H109-E112 IonicContact CE1-OE2 3.94Å; H109-E112 IonicContact CG-OE2 2.85Å; H109-E112 IonicContact ND1-OE2 3.33Å; H109-E112 PolarHBondContact ND1-OE2 3.35Å; H109-E112 PolarHBondContact O-N 3.36Å; H109-R113 VanDerWaalsContact O-CG 3.28Å; H109-R113 WeakPolarHBondContact O-CG 3.47Å; H109-R113 PolarHBondContact O-N 3.26Å |
| 110 | A | 97.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64 | -36.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L92 V93 L96 A106 V108 R113 | L92-A110 HydrophobicContact CD2-CB 4.16Å; L92-A110 HydrophobicContact CG-CB 4.42Å; V93-A110 HydrophobicContact CG2-CB 3.5Å; L96-A110 HydrophobicContact CD1-CB 4.16Å; A106-A110 VanDerWaalsContact O-CB 3.29Å; A106-A110 WeakPolarHBondContact O-CB 3.4Å; A106-A110 PolarHBondContact O-N 3.43Å; V108-A110 VanDerWaalsContact C-N 3.34Å; V108-A110 PolarHBondContact O-N 3.32Å; A110-R113 PolarHBondContact O-N 2.82Å |
| 111 | F | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.5 | -39.3 | 177.7 | -167.7 | -153.4 | 0 | 0 | 0 | 112.2 | R38 W41 M81 H84 H107 V108 H109 R113 V114 A115 I122 | R38-F111 HydrophobicContact CB-CE1 4.01Å; R38-F111 HydrophobicContact CB-CZ 4.07Å; R38-F111 HydrophobicContact CG-CD1 3.93Å; R38-F111 HydrophobicContact CG-CD2 4.29Å; R38-F111 HydrophobicContact CG-CE1 3.88Å; R38-F111 HydrophobicContact CG-CE2 4.27Å; R38-F111 HydrophobicContact CG-CG 4.14Å; R38-F111 HydrophobicContact CG-CZ 4.05Å; W41-F111 AromaticContact CE3-CD1 3.8Å; W41-F111 HydrophobicContact CE3-CD1 3.8Å; W41-F111 HydrophobicContact CE3-CE1 4.25Å; W41-F111 HydrophobicContact CZ3-CD1 4.26Å; M81-F111 HydrophobicContact CB-CE1 4.28Å; M81-F111 HydrophobicContact CB-CZ 3.87Å; M81-F111 HydrophobicContact CE-CE1 3.9Å; M81-F111 HydrophobicContact CG-CE1 4.27Å; M81-F111 HydrophobicContact CG-CZ 4.24Å; M81-F111 WeakPolarHBondContact O-CZ 3.42Å; H84-F111 HydrophobicContact CB-CE2 4.44Å; H107-F111 VanDerWaalsContact O-CB 3.3Å; H107-F111 WeakPolarHBondContact O-CB 3.39Å; H107-F111 PolarHBondContact O-N 2.9Å; V108-F111 PolarHBondContact O-N 3.47Å; H109-F111 VanDerWaalsContact C-N 3.29Å; H109-F111 PolarHBondContact O-N 2.91Å; F111-R113 PolarHBondContact O-N 3.41Å; F111-R113 VanDerWaalsContact O-N 3.15Å; F111-V114 HydrophobicContact CD2-CG2 3.84Å; F111-V114 HydrophobicContact CE2-CG2 4.45Å; F111-V114 VanDerWaalsContact O-CG2 3.24Å; F111-V114 WeakPolarHBondContact O-CG2 3.33Å; F111-V114 PolarHBondContact O-N 2.88Å; F111-V114 VanDerWaalsContact O-N 3.16Å; F111-A115 HydrophobicContact CD2-CB 4.23Å; F111-A115 HydrophobicContact CE2-CB 4.05Å; F111-A115 PolarHBondContact O-N 3.02Å; F111-I122 HydrophobicContact CB-CD1 4.31Å; F111-I122 HydrophobicContact CD1-CD1 3.63Å; F111-I122 HydrophobicContact CD1-CG1 4.24Å; F111-I122 HydrophobicContact CD1-CG2 4.28Å; F111-I122 HydrophobicContact CE1-CD1 4.2Å; F111-I122 HydrophobicContact CG-CD1 4.04Å |
| 112 | E | 97.4 | Very high | 97 | Very high | 24 Ų | 24 | 41 Ų | 41 | 11% | 0.112 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.2 | -19.8 | 173.3 | -68.1 | -176.6 | 134.1 | 0 | 0 | 113.8 | V108 H109 K119 G120 I122 | V108-E112 HydrophobicContact CG1-CG 4.4Å; V108-E112 WeakPolarHBondContact O-CG 3.44Å; V108-E112 PolarHBondContact O-N 3.45Å; H109-E112 IonicContact CE1-OE2 3.94Å; H109-E112 IonicContact CG-OE2 2.85Å; H109-E112 IonicContact ND1-OE2 3.33Å; H109-E112 PolarHBondContact ND1-OE2 3.35Å; H109-E112 PolarHBondContact O-N 3.36Å; E112-K119 HydrophobicContact CB-CB 4.3Å; E112-K119 HydrophobicContact CB-CG 4.17Å; E112-K119 HydrophobicContact CG-CB 4.42Å; E112-K119 HydrophobicContact CG-CG 4.27Å; E112-G120 PolarHBondContact OE1-N 3.41Å; E112-I122 HydrophobicContact CG-CD1 3.79Å |
| 113 | R | 96.9 | Very high | 97.1 | Very high | 183 Ų | 183 | 39 Ų | 39 | 69% | 0.691 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -77.7 | -29.3 | 177.3 | -71.3 | -72.6 | -176.8 | 175.3 | 2.6 | 113.1 | L92 H109 A110 F111 V116 | L92-R113 HydrophobicContact CD2-CB 4.22Å; L92-R113 HydrophobicContact CD2-CG 3.93Å; H109-R113 VanDerWaalsContact O-CG 3.28Å; H109-R113 WeakPolarHBondContact O-CG 3.47Å; H109-R113 PolarHBondContact O-N 3.26Å; A110-R113 PolarHBondContact O-N 2.82Å; F111-R113 PolarHBondContact O-N 3.41Å; F111-R113 VanDerWaalsContact O-N 3.15Å; R113-V116 WeakPolarHBondContact O-CG2 3.15Å |
| 114 | V | 97 | Very high | 97.2 | Very high | 35 Ų | 35 | 39.9 Ų | 39.9 | 21% | 0.212 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -95.7 | -47.9 | 177.1 | -64.3 | 0 | 0 | 0 | 0 | 110.5 | H84 F111 V116 | H84-V114 HydrophobicContact CB-CB 4.06Å; H84-V114 HydrophobicContact CB-CG2 3.84Å; F111-V114 HydrophobicContact CD2-CG2 3.84Å; F111-V114 HydrophobicContact CE2-CG2 4.45Å; F111-V114 VanDerWaalsContact O-CG2 3.24Å; F111-V114 WeakPolarHBondContact O-CG2 3.33Å; F111-V114 PolarHBondContact O-N 2.88Å; F111-V114 VanDerWaalsContact O-N 3.16Å; V114-V116 VanDerWaalsContact C-N 3.29Å; V114-V116 PolarHBondContact O-N 3.3Å |
| 115 | A | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -86.8 | 67.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | D80 M81 H84 F111 K117 A118 K119 | D80-A115 WeakPolarHBondContact OD2-CA 3.35Å; M81-A115 HydrophobicContact CG-CB 4.41Å; H84-A115 HydrophobicContact CB-CB 4.47Å; F111-A115 HydrophobicContact CD2-CB 4.23Å; F111-A115 HydrophobicContact CE2-CB 4.05Å; F111-A115 PolarHBondContact O-N 3.02Å; A115-K117 VanDerWaalsContact C-N 3.26Å; A115-K117 PolarHBondContact O-N 3.15Å; A115-A118 HydrophobicContact CB-CB 4.04Å; A115-A118 PolarHBondContact O-N 3.27Å; A115-A118 VanDerWaalsContact O-N 3.12Å; A115-K119 PolarHBondContact O-N 3.18Å |
| 116 | V | 97.4 | Very high | 97.1 | Very high | 96 Ų | 96 | 39 Ų | 39 | 58% | 0.582 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -59.7 | -34.8 | -172 | 179.9 | 0 | 0 | 0 | 0 | 112.4 | D80 R113 V114 A118 K119 | D80-V116 PolarHBondContact OD2-N 3.29Å; R113-V116 WeakPolarHBondContact O-CG2 3.15Å; V114-V116 VanDerWaalsContact C-N 3.29Å; V114-V116 PolarHBondContact O-N 3.3Å; V116-A118 VanDerWaalsContact C-N 3.34Å; V116-K119 VanDerWaalsContact O-CB 3.25Å; V116-K119 WeakPolarHBondContact O-CB 3.42Å; V116-K119 PolarHBondContact O-N 3.17Å |
| 117 | K | 97.2 | Very high | 97.1 | Very high | 108 Ų | 108 | 40.2 Ų | 40.2 | 47% | 0.47 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -34.9 | -179.4 | -52.5 | -176.5 | -174.9 | 179.5 | 0 | 110.7 | E76 Q77 D80 A115 K119 | E76-K117 HydrophobicContact CG-CD 3.67Å; E76-K117 VanDerWaalsContact OE1-CD 3.31Å; E76-K117 WeakPolarHBondContact OE1-CD 3.48Å; E76-K117 VanDerWaalsContact OE1-CE 3.32Å; E76-K117 WeakPolarHBondContact OE1-CE 3.15Å; E76-K117 IonicContact OE1-NZ 3.15Å; E76-K117 PolarHBondContact OE1-NZ 2.84Å; Q77-K117 HydrophobicContact CG-CB 4.42Å; Q77-K117 VanDerWaalsContact CG-O 3.29Å; Q77-K117 WeakPolarHBondContact CG-O 3.38Å; Q77-K117 PolarHBondContact NE2-O 3.43Å; Q77-K117 VanDerWaalsContact NE2-O 3.15Å; D80-K117 HydrophobicContact CB-CB 4Å; D80-K117 HydrophobicContact CB-CD 4.27Å; D80-K117 HydrophobicContact CB-CG 4.35Å; D80-K117 WeakPolarHBondContact OD2-CA 3.31Å; D80-K117 VanDerWaalsContact OD2-CB 3.28Å; D80-K117 WeakPolarHBondContact OD2-CB 3.41Å; D80-K117 PolarHBondContact OD2-N 3.22Å; A115-K117 VanDerWaalsContact C-N 3.26Å; A115-K117 PolarHBondContact O-N 3.15Å; K117-K119 PolarHBondContact O-N 2.99Å |
| 118 | A | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -2.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q77 M81 A115 V116 G120 I121 I122 | Q77-A118 HydrophobicContact CB-CB 4.4Å; M81-A118 HydrophobicContact CG-CB 3.33Å; M81-A118 HydrophobicContact SD-CB 3.9Å; A115-A118 HydrophobicContact CB-CB 4.04Å; A115-A118 PolarHBondContact O-N 3.27Å; A115-A118 VanDerWaalsContact O-N 3.12Å; V116-A118 VanDerWaalsContact C-N 3.34Å; A118-G120 PolarHBondContact O-N 2.95Å; A118-I121 HydrophobicContact CB-CD1 3.97Å; A118-I121 HydrophobicContact CB-CG1 4.47Å; A118-I121 WeakPolarHBondContact O-CG1 3.49Å; A118-I121 PolarHBondContact O-N 3.45Å; A118-I121 VanDerWaalsContact O-N 3.12Å; A118-I122 HydrophobicContact CB-CD1 4.02Å; A118-I122 HydrophobicContact CB-CG1 4.12Å; A118-I122 PolarHBondContact O-N 2.98Å |
| 119 | K | 96.4 | Very high | 97.1 | Very high | 132 Ų | 132 | 40.6 Ų | 40.6 | 57% | 0.574 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 131.3 | 176.3 | -176 | 177 | -180 | -175.8 | 0 | 111.3 | E112 A115 V116 K117 I121 | E112-K119 HydrophobicContact CB-CB 4.3Å; E112-K119 HydrophobicContact CB-CG 4.17Å; E112-K119 HydrophobicContact CG-CB 4.42Å; E112-K119 HydrophobicContact CG-CG 4.27Å; A115-K119 PolarHBondContact O-N 3.18Å; V116-K119 VanDerWaalsContact O-CB 3.25Å; V116-K119 WeakPolarHBondContact O-CB 3.42Å; V116-K119 PolarHBondContact O-N 3.17Å; K117-K119 PolarHBondContact O-N 2.99Å; K119-I121 VanDerWaalsContact C-N 3.33Å; K119-I121 PolarHBondContact O-N 2.64Å |
| 120 | G | 94.4 | Very high | 97.2 | Very high | 52 Ų | 52 | 37.6 Ų | 37.6 | 54% | 0.536 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -13 | -179 | 0 | 0 | 0 | 0 | 0 | 115.8 | E112 A118 | E112-G120 PolarHBondContact OE1-N 3.41Å; A118-G120 PolarHBondContact O-N 2.95Å |
| 121 | I | 96.5 | Very high | 97.2 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -16.2 | 172.6 | 66.1 | 70 | 0 | 0 | 0 | 113.3 | A45 I72 I73 Q77 M81 A118 K119 H123 L124 | A45-I121 HydrophobicContact CB-CD1 4.28Å; I72-I121 HydrophobicContact CG1-CG2 4.47Å; I73-I121 HydrophobicContact CG1-CB 4.32Å; I73-I121 HydrophobicContact CG1-CG2 4.26Å; Q77-I121 HydrophobicContact CB-CD1 4.46Å; Q77-I121 HydrophobicContact CB-CG1 4.31Å; M81-I121 HydrophobicContact SD-CD1 3.7Å; A118-I121 HydrophobicContact CB-CD1 3.97Å; A118-I121 HydrophobicContact CB-CG1 4.47Å; A118-I121 WeakPolarHBondContact O-CG1 3.49Å; A118-I121 PolarHBondContact O-N 3.45Å; A118-I121 VanDerWaalsContact O-N 3.12Å; K119-I121 VanDerWaalsContact C-N 3.33Å; K119-I121 PolarHBondContact O-N 2.64Å; I121-H123 PolarHBondContact O-N 2.96Å; I121-L124 VanDerWaalsContact O-CB 3.31Å; I121-L124 WeakPolarHBondContact O-CB 3.41Å; I121-L124 PolarHBondContact O-N 3Å |
| 122 | I | 97.4 | Very high | 97.2 | Very high | 11 Ų | 11 | 38.5 Ų | 38.5 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 129.3 | 173.8 | -67.3 | 163.9 | 0 | 0 | 0 | 108.8 | W41 M81 V108 F111 E112 A118 L124 | W41-I122 HydrophobicContact CB-CG2 4.4Å; W41-I122 HydrophobicContact CD2-CG2 3.87Å; W41-I122 HydrophobicContact CE3-CG2 4.16Å; W41-I122 HydrophobicContact CG-CG2 3.96Å; M81-I122 HydrophobicContact CE-CG1 4.01Å; M81-I122 HydrophobicContact SD-CG1 4.23Å; V108-I122 HydrophobicContact CB-CG2 4.49Å; V108-I122 HydrophobicContact CG1-CB 4.47Å; V108-I122 HydrophobicContact CG1-CG2 3.96Å; V108-I122 HydrophobicContact CG2-CG2 4.28Å; F111-I122 HydrophobicContact CB-CD1 4.31Å; F111-I122 HydrophobicContact CD1-CD1 3.63Å; F111-I122 HydrophobicContact CD1-CG1 4.24Å; F111-I122 HydrophobicContact CD1-CG2 4.28Å; F111-I122 HydrophobicContact CE1-CD1 4.2Å; F111-I122 HydrophobicContact CG-CD1 4.04Å; E112-I122 HydrophobicContact CG-CD1 3.79Å; A118-I122 HydrophobicContact CB-CD1 4.02Å; A118-I122 HydrophobicContact CB-CG1 4.12Å; A118-I122 PolarHBondContact O-N 2.98Å; I122-L124 VanDerWaalsContact C-N 3.27Å; I122-L124 PolarHBondContact O-N 3.4Å |
| 123 | H | 97.7 | Very high | 97.3 | Very high | 23 Ų | 23 | 37.4 Ų | 37.4 | 11% | 0.106 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 12.1 | -179.8 | -153.2 | 50.9 | 0 | 0 | 0 | 116.1 | W41 V108 I121 G125 A126 T127 S128 | W41-H123 AromaticContact CD1-ND1 3.73Å; W41-H123 AromaticContact NE1-CE1 3.92Å; W41-H123 AromaticContact NE1-CG 3.52Å; W41-H123 AromaticContact NE1-ND1 3Å; W41-H123 PolarHBondContact NE1-ND1 3.29Å; V108-H123 HydrophobicContact CG2-CB 4.08Å; I121-H123 PolarHBondContact O-N 2.96Å; H123-G125 PolarHBondContact O-N 3.49Å; H123-G125 VanDerWaalsContact O-N 3.16Å; H123-A126 WeakPolarHBondContact ND1-CB 3.37Å; H123-A126 PolarHBondContact O-N 3.28Å; H123-T127 PolarHBondContact CE1-O 2.77Å; H123-T127 VanDerWaalsContact NE2-C 3.29Å; H123-S128 PolarHBondContact NE2-N 2.86Å |
| 124 | L | 97.2 | Very high | 97.4 | Very high | 38 Ų | 38 | 28.7 Ų | 28.7 | 20% | 0.199 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 119.2 | -176.3 | -177.5 | 62.8 | 0 | 0 | 0 | 112.9 | Q48 L70 I72 I73 I121 I122 A126 L227 | Q48-L124 PolarHBondContact NE2-O 2.99Å; L70-L124 HydrophobicContact CD1-CD2 3.85Å; I72-L124 HydrophobicContact CG2-CD2 4.21Å; I73-L124 HydrophobicContact CD1-CD2 4.31Å; I121-L124 VanDerWaalsContact O-CB 3.31Å; I121-L124 WeakPolarHBondContact O-CB 3.41Å; I121-L124 PolarHBondContact O-N 3Å; I122-L124 VanDerWaalsContact C-N 3.27Å; I122-L124 PolarHBondContact O-N 3.4Å; L124-A126 PolarHBondContact O-N 3.19Å; L124-L227 HydrophobicContact CD1-CD1 4.42Å; L124-L227 HydrophobicContact CD1-CD2 4.09Å; L124-L227 HydrophobicContact CD2-CD2 4.42Å; L124-L227 HydrophobicContact CG-CD1 3.92Å; L124-L227 HydrophobicContact CG-CD2 4.22Å |
| 125 | G | 95.3 | Very high | 97.4 | Very high | 19 Ų | 19 | 27 Ų | 27 | 20% | 0.196 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | -8.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | H123 S223 F224 | H123-G125 PolarHBondContact O-N 3.49Å; H123-G125 VanDerWaalsContact O-N 3.16Å; G125-S223 VanDerWaalsContact O-CB 3.31Å; G125-S223 WeakPolarHBondContact O-CB 3.41Å; G125-S223 PolarHBondContact O-OG 3.08Å; G125-F224 WeakPolarHBondContact O-CZ 3.49Å |
| 126 | A | 97.7 | Very high | 97.5 | Very high | 19 Ų | 19 | 29 Ų | 29 | 16% | 0.157 | 17% | 0.167 | C | C | . | . | trans | -86.2 | 166.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L44 H123 L124 Y130 F224 | L44-A126 HydrophobicContact CD2-CB 3.87Å; H123-A126 WeakPolarHBondContact ND1-CB 3.37Å; H123-A126 PolarHBondContact O-N 3.28Å; L124-A126 PolarHBondContact O-N 3.19Å; A126-Y130 HydrophobicContact CB-CD1 4.05Å; A126-Y130 HydrophobicContact CB-CG 3.95Å; A126-F224 HydrophobicContact CB-CZ 4.09Å | ||
| 127 | T | 97.4 | Very high | 97.5 | Very high | 25 Ų | 25 | 24.5 Ų | 24.5 | 15% | 0.153 | 14% | 0.139 | C | C | . | . | trans | -113.4 | 164.1 | 168.3 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | H123 A129 Y130 G216 | H123-T127 PolarHBondContact CE1-O 2.77Å; H123-T127 VanDerWaalsContact NE2-C 3.29Å; T127-A129 HydrophobicContact CG2-CB 4.03Å; T127-A129 PolarHBondContact O-N 3.06Å; T127-Y130 WeakPolarHBondContact O-CB 3.18Å; T127-Y130 PolarHBondContact O-N 3.38Å; T127-G216 WeakPolarHBondContact CG2-O 3.42Å | ||
| 128 | S | 97.7 | Very high | 97.6 | Very high | 16 Ų | 16 | 19.7 Ų | 19.7 | 11% | 0.112 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | -37.5 | 178.1 | -53.5 | 0 | 0 | 0 | 0 | 113.8 | H102 H123 Y130 V131 Q132 | H102-S128 PolarHBondContact CE1-OG 2.7Å; H102-S128 PolarHBondContact NE2-OG 3.14Å; H123-S128 PolarHBondContact NE2-N 2.86Å; S128-Y130 PolarHBondContact O-N 3.37Å; S128-V131 WeakPolarHBondContact O-CG2 3.49Å; S128-V131 PolarHBondContact O-N 3.11Å; S128-Q132 WeakPolarHBondContact O-CG 3.5Å; S128-Q132 PolarHBondContact O-N 3.41Å; S128-Q132 VanDerWaalsContact O-N 3.1Å |
| 129 | A | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.5 | -21.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T127 V131 D133 Q262 T263 | T127-A129 HydrophobicContact CG2-CB 4.03Å; T127-A129 PolarHBondContact O-N 3.06Å; A129-V131 VanDerWaalsContact C-N 3.32Å; A129-V131 PolarHBondContact O-N 3.48Å; A129-D133 VanDerWaalsContact O-CB 3.27Å; A129-D133 WeakPolarHBondContact O-CB 3.36Å; A129-D133 PolarHBondContact O-N 3.18Å; A129-D133 VanDerWaalsContact O-N 3.11Å; A129-Q262 HydrophobicContact CB-CG 4.14Å; A129-Q262 VanDerWaalsContact CB-O 3.25Å; A129-Q262 WeakPolarHBondContact CB-O 3.34Å; A129-T263 HydrophobicContact CB-CG2 4.45Å |
| 130 | Y | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 13.9 Ų | 13.9 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59 | -42.2 | 173.4 | 174.8 | -106.2 | 0 | 0 | 0 | 112.3 | L40 L44 A126 T127 S128 N134 A214 | L40-Y130 HydrophobicContact CB-CE1 3.95Å; L40-Y130 WeakPolarHBondContact O-CE1 3.47Å; L40-Y130 PolarHBondContact O-OH 3.48Å; L44-Y130 HydrophobicContact CB-CE1 3.85Å; L44-Y130 WeakPolarHBondContact CB-OH 3.48Å; L44-Y130 HydrophobicContact CD1-CE1 4.4Å; L44-Y130 HydrophobicContact CD1-CE2 4.23Å; L44-Y130 HydrophobicContact CD2-CD1 4.18Å; L44-Y130 HydrophobicContact CD2-CE1 3.88Å; L44-Y130 HydrophobicContact CG-CE1 4.26Å; A126-Y130 HydrophobicContact CB-CD1 4.05Å; A126-Y130 HydrophobicContact CB-CG 3.95Å; T127-Y130 WeakPolarHBondContact O-CB 3.18Å; T127-Y130 PolarHBondContact O-N 3.38Å; S128-Y130 PolarHBondContact O-N 3.37Å; Y130-N134 WeakPolarHBondContact CD2-ND2 3.31Å; Y130-N134 VanDerWaalsContact O-CB 3.27Å; Y130-N134 WeakPolarHBondContact O-CB 3.31Å; Y130-N134 PolarHBondContact O-ND2 3.04Å; Y130-A214 HydrophobicContact CE2-CB 4.41Å |
| 131 | V | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -91.5 | -38.5 | 179.3 | -65.4 | 0 | 0 | 0 | 0 | 112.5 | W37 L40 W41 V104 S128 A129 A135 | W37-V131 HydrophobicContact CB-CB 3.98Å; W37-V131 HydrophobicContact CB-CG1 4.31Å; W37-V131 HydrophobicContact CB-CG2 4.42Å; W37-V131 VanDerWaalsContact CD1-O 3.3Å; W37-V131 HydrophobicContact CD2-CB 4.23Å; W37-V131 HydrophobicContact CD2-CG2 3.93Å; W37-V131 HydrophobicContact CE3-CG2 4.32Å; W37-V131 HydrophobicContact CG-CB 3.74Å; W37-V131 HydrophobicContact CG-CG2 3.98Å; W37-V131 PolarHBondContact NE1-O 3.39Å; L40-V131 HydrophobicContact CB-CG1 4.17Å; W41-V131 HydrophobicContact CD2-CG1 4.03Å; W41-V131 VanDerWaalsContact CE2-CG1 3.49Å; W41-V131 HydrophobicContact CG-CG1 4.17Å; W41-V131 HydrophobicContact CZ2-CB 4.49Å; W41-V131 HydrophobicContact CZ2-CG1 3.91Å; W41-V131 HydrophobicContact CZ2-CG2 4Å; V104-V131 HydrophobicContact CB-CG2 4.49Å; V104-V131 HydrophobicContact CG1-CG2 3.64Å; V104-V131 HydrophobicContact CG2-CG2 3.99Å; S128-V131 WeakPolarHBondContact O-CG2 3.49Å; S128-V131 PolarHBondContact O-N 3.11Å; A129-V131 VanDerWaalsContact C-N 3.32Å; A129-V131 PolarHBondContact O-N 3.48Å; V131-A135 WeakPolarHBondContact O-CB 3.46Å; V131-A135 PolarHBondContact O-N 3.23Å; V131-A135 VanDerWaalsContact O-N 3.11Å |
| 132 | Q | 98.1 | Very high | 98 | Very high | 20 Ų | 20 | 14.5 Ų | 14.5 | 9% | 0.093 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.8 | -61 | -179.2 | -69.4 | 174.6 | -32.3 | 0 | 0 | 110.9 | W37 D103 V104 S128 N134 A135 D136 | W37-Q132 HydrophobicContact CH2-CG 4.36Å; W37-Q132 HydrophobicContact CZ2-CG 3.8Å; D103-Q132 PolarHBondContact OD1-NE2 3.05Å; D103-Q132 PolarHBondContact OD2-NE2 3.49Å; V104-Q132 HydrophobicContact CG2-CG 3.72Å; S128-Q132 WeakPolarHBondContact O-CG 3.5Å; S128-Q132 PolarHBondContact O-N 3.41Å; S128-Q132 VanDerWaalsContact O-N 3.1Å; Q132-N134 PolarHBondContact O-N 3.01Å; Q132-A135 PolarHBondContact O-N 3.12Å; Q132-D136 VanDerWaalsContact O-CG 3.3Å; Q132-D136 PolarHBondContact O-N 3.37Å |
| 133 | D | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -69.1 | -40.1 | -172.4 | -88.4 | 32.6 | 0 | 0 | 0 | 112.8 | A129 A135 D136 L137 T263 Y264 R266 | A129-D133 VanDerWaalsContact O-CB 3.27Å; A129-D133 WeakPolarHBondContact O-CB 3.36Å; A129-D133 PolarHBondContact O-N 3.18Å; A129-D133 VanDerWaalsContact O-N 3.11Å; D133-A135 VanDerWaalsContact C-N 3.35Å; D133-D136 PolarHBondContact O-N 2.95Å; D133-L137 VanDerWaalsContact O-CG 3.26Å; D133-L137 WeakPolarHBondContact O-CG 3.24Å; D133-L137 PolarHBondContact O-N 3.04Å; D133-T263 WeakPolarHBondContact OD2-CA 3.18Å; D133-T263 WeakPolarHBondContact OD2-CB 3.49Å; D133-T263 WeakPolarHBondContact OD2-CG2 3.34Å; D133-Y264 HydrophobicContact CB-CD1 3.6Å; D133-Y264 HydrophobicContact CB-CE1 3.93Å; D133-Y264 WeakPolarHBondContact OD2-CD1 3.41Å; D133-Y264 PolarHBondContact OD2-N 3.32Å; D133-R266 VanDerWaalsContact CG-NH1 3.33Å; D133-R266 IonicContact OD1-CZ 3.69Å; D133-R266 IonicContact OD1-NH1 3.05Å; D133-R266 PolarHBondContact OD1-NH1 2.9Å; D133-R266 IonicContact OD1-NH2 2.79Å; D133-R266 PolarHBondContact OD1-NH2 3.06Å; D133-R266 IonicContact OD2-CZ 3.31Å; D133-R266 IonicContact OD2-NH1 2.79Å; D133-R266 PolarHBondContact OD2-NH1 3.49Å; D133-R266 IonicContact OD2-NH2 3.86Å |
| 134 | N | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -68.8 | -34.3 | 178 | -72.8 | -43.7 | 0 | 0 | 0 | 111.9 | L40 Y130 Q132 L137 L138 F211 R212 G213 | L40-N134 HydrophobicContact CD1-CB 3.78Å; L40-N134 HydrophobicContact CD2-CB 3.73Å; L40-N134 HydrophobicContact CG-CB 4.45Å; Y130-N134 WeakPolarHBondContact CD2-ND2 3.31Å; Y130-N134 VanDerWaalsContact O-CB 3.27Å; Y130-N134 WeakPolarHBondContact O-CB 3.31Å; Y130-N134 PolarHBondContact O-ND2 3.04Å; Q132-N134 PolarHBondContact O-N 3.01Å; N134-L137 PolarHBondContact O-N 3.01Å; N134-L138 WeakPolarHBondContact O-CB 3.38Å; N134-L138 VanDerWaalsContact O-CG 3.3Å; N134-L138 WeakPolarHBondContact O-CG 3.4Å; N134-L138 PolarHBondContact O-N 3.32Å; N134-F211 HydrophobicContact CB-CD2 4.39Å; N134-F211 HydrophobicContact CB-CE1 4.35Å; N134-F211 HydrophobicContact CB-CE2 3.48Å; N134-F211 VanDerWaalsContact CB-CE2 3.48Å; N134-F211 HydrophobicContact CB-CZ 3.47Å; N134-F211 VanDerWaalsContact CB-CZ 3.47Å; N134-F211 WeakPolarHBondContact OD1-CD2 3.46Å; N134-F211 WeakPolarHBondContact OD1-CE1 3.05Å; N134-F211 VanDerWaalsContact OD1-CE2 3.22Å; N134-F211 WeakPolarHBondContact OD1-CE2 3.11Å; N134-F211 VanDerWaalsContact OD1-CZ 3.23Å; N134-F211 WeakPolarHBondContact OD1-CZ 3.16Å; N134-R212 VanDerWaalsContact OD1-CB 3.32Å; N134-R212 WeakPolarHBondContact OD1-CB 3.37Å; N134-R212 PolarHBondContact OD1-N 3.28Å; N134-G213 PolarHBondContact ND2-O 2.82Å; N134-G213 PolarHBondContact OD1-N 3.26Å |
| 135 | A | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.008 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -69.6 | -37.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y36 L40 V131 Q132 D133 L138 T139 | Y36-A135 HydrophobicContact CG-CB 4.49Å; L40-A135 HydrophobicContact CD1-CB 3.98Å; V131-A135 WeakPolarHBondContact O-CB 3.46Å; V131-A135 PolarHBondContact O-N 3.23Å; V131-A135 VanDerWaalsContact O-N 3.11Å; Q132-A135 PolarHBondContact O-N 3.12Å; D133-A135 VanDerWaalsContact C-N 3.35Å; A135-L138 PolarHBondContact O-N 3.07Å; A135-T139 WeakPolarHBondContact O-CB 3.29Å; A135-T139 PolarHBondContact O-N 2.89Å; A135-T139 PolarHBondContact O-OG1 3.49Å |
| 136 | D | 98.5 | Very high | 98 | Very high | 42 Ų | 42 | 14.3 Ų | 14.3 | 23% | 0.225 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.5 | -45.8 | 173.2 | -70.1 | -16.9 | 0 | 0 | 0 | 110.6 | Q132 D133 L138 T139 M140 R358 | Q132-D136 VanDerWaalsContact O-CG 3.3Å; Q132-D136 PolarHBondContact O-N 3.37Å; D133-D136 PolarHBondContact O-N 2.95Å; D136-L138 PolarHBondContact O-N 2.76Å; D136-T139 PolarHBondContact O-N 3.43Å; D136-M140 WeakPolarHBondContact O-CB 3.5Å; D136-M140 VanDerWaalsContact O-CG 3.31Å; D136-M140 WeakPolarHBondContact O-CG 3.26Å; D136-M140 PolarHBondContact O-N 2.91Å; D136-R358 IonicContact OD2-CZ 2.71Å; D136-R358 IonicContact OD2-NH1 3.76Å; D136-R358 PolarHBondContact OD2-NH1 3.43Å; D136-R358 VanDerWaalsContact OD2-NH1 3.15Å; D136-R358 IonicContact OD2-NH2 2.63Å; D136-R358 PolarHBondContact OD2-NH2 3.35Å |
| 137 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 177.3 | -68.4 | 166.2 | 0 | 0 | 0 | 112.6 | D133 N134 M140 R141 L209 L210 R212 F248 Y264 | D133-L137 VanDerWaalsContact O-CG 3.26Å; D133-L137 WeakPolarHBondContact O-CG 3.24Å; D133-L137 PolarHBondContact O-N 3.04Å; N134-L137 PolarHBondContact O-N 3.01Å; L137-M140 HydrophobicContact CD2-CE 3.81Å; L137-M140 HydrophobicContact CG-CE 4.48Å; L137-R141 WeakPolarHBondContact O-CB 3.28Å; L137-R141 PolarHBondContact O-N 3.21Å; L137-L209 HydrophobicContact CD2-CD1 3.68Å; L137-L209 HydrophobicContact CD2-CD2 4.2Å; L137-L209 HydrophobicContact CD2-CG 3.89Å; L137-L210 WeakPolarHBondContact CD1-O 3.14Å; L137-R212 HydrophobicContact CD1-CB 4.14Å; L137-F248 HydrophobicContact CB-CZ 4.13Å; L137-Y264 HydrophobicContact CD1-CD1 3.66Å; L137-Y264 HydrophobicContact CD1-CE1 4.19Å; L137-Y264 HydrophobicContact CD1-CG 4.16Å; L137-Y264 HydrophobicContact CD2-CD1 4.04Å; L137-Y264 HydrophobicContact CD2-CD2 4.39Å; L137-Y264 HydrophobicContact CD2-CE1 3.99Å; L137-Y264 HydrophobicContact CD2-CE2 4.36Å; L137-Y264 HydrophobicContact CD2-CG 4.27Å; L137-Y264 HydrophobicContact CG-CD1 3.79Å; L137-Y264 HydrophobicContact CG-CE1 3.78Å; L137-Y264 HydrophobicContact CG-CG 4.43Å |
| 138 | L | 98.3 | Very high | 98 | Very high | 7 Ų | 7 | 13.4 Ų | 13.4 | 4% | 0.037 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 173.8 | -76.6 | 166.3 | 0 | 0 | 0 | 111.5 | Y36 L40 W43 N134 A135 D136 R141 C142 F211 A246 F248 | Y36-L138 HydrophobicContact CD1-CD1 4.12Å; Y36-L138 HydrophobicContact CE1-CB 4.4Å; Y36-L138 HydrophobicContact CE2-CB 4.35Å; Y36-L138 HydrophobicContact CG-CD1 4.43Å; L40-L138 HydrophobicContact CD1-CD1 4.42Å; L40-L138 HydrophobicContact CD2-CD1 4.27Å; L40-L138 HydrophobicContact CG-CD1 4.41Å; W43-L138 HydrophobicContact CZ3-CD1 4.14Å; N134-L138 WeakPolarHBondContact O-CB 3.38Å; N134-L138 VanDerWaalsContact O-CG 3.3Å; N134-L138 WeakPolarHBondContact O-CG 3.4Å; N134-L138 PolarHBondContact O-N 3.32Å; A135-L138 PolarHBondContact O-N 3.07Å; D136-L138 PolarHBondContact O-N 2.76Å; L138-R141 PolarHBondContact O-N 3.32Å; L138-C142 PolarHBondContact O-N 3.44Å; L138-C142 PolarHBondContact O-SG 3.21Å; L138-F211 HydrophobicContact CG-CE2 4.44Å; L138-A246 HydrophobicContact CD2-CB 4.26Å; L138-F248 HydrophobicContact CD2-CE2 3.91Å; L138-F248 HydrophobicContact CG-CE2 4.34Å |
| 139 | T | 98.5 | Very high | 97.9 | Very high | 10 Ų | 10 | 16.9 Ų | 16.9 | 6% | 0.061 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.9 | -49.4 | 179.4 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | L27 F28 Y36 A135 D136 R141 C142 A143 | L27-T139 HydrophobicContact CB-CG2 4.37Å; L27-T139 WeakPolarHBondContact O-CG2 3.1Å; F28-T139 HydrophobicContact CD1-CG2 3.84Å; F28-T139 HydrophobicContact CD2-CG2 4.46Å; F28-T139 HydrophobicContact CE1-CG2 3.66Å; F28-T139 HydrophobicContact CE2-CG2 4.26Å; F28-T139 HydrophobicContact CG-CG2 4.26Å; F28-T139 HydrophobicContact CZ-CG2 3.86Å; Y36-T139 WeakPolarHBondContact CE2-OG1 3.24Å; A135-T139 WeakPolarHBondContact O-CB 3.29Å; A135-T139 PolarHBondContact O-N 2.89Å; A135-T139 PolarHBondContact O-OG1 3.49Å; D136-T139 PolarHBondContact O-N 3.43Å; T139-R141 VanDerWaalsContact C-N 3.35Å; T139-R141 PolarHBondContact O-N 3.39Å; T139-C142 PolarHBondContact O-N 2.93Å; T139-A143 VanDerWaalsContact O-CB 3.25Å; T139-A143 WeakPolarHBondContact O-CB 3.38Å; T139-A143 PolarHBondContact O-N 3.18Å |
| 140 | M | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.9 | -44.8 | 176.9 | -73.1 | -166.2 | -68 | 0 | 0 | 111.4 | D136 L137 C142 A143 I144 L209 Y264 L362 F366 | D136-M140 WeakPolarHBondContact O-CB 3.5Å; D136-M140 VanDerWaalsContact O-CG 3.31Å; D136-M140 WeakPolarHBondContact O-CG 3.26Å; D136-M140 PolarHBondContact O-N 2.91Å; L137-M140 HydrophobicContact CD2-CE 3.81Å; L137-M140 HydrophobicContact CG-CE 4.48Å; M140-C142 PolarHBondContact O-N 3.1Å; M140-A143 PolarHBondContact O-N 3.15Å; M140-I144 WeakPolarHBondContact O-CB 3.49Å; M140-I144 WeakPolarHBondContact O-CG1 3.48Å; M140-I144 PolarHBondContact O-N 2.74Å; M140-L209 HydrophobicContact CB-CD2 4.27Å; M140-L209 HydrophobicContact CE-CD1 4.43Å; M140-Y264 WeakPolarHBondContact CE-OH 3.47Å; M140-L362 HydrophobicContact SD-CD1 4.27Å; M140-L362 HydrophobicContact SD-CD2 4.17Å; M140-F366 HydrophobicContact CB-CE2 4.31Å; M140-F366 HydrophobicContact CB-CZ 4.1Å; M140-F366 HydrophobicContact CG-CE2 3.77Å; M140-F366 HydrophobicContact CG-CZ 4.07Å; M140-F366 HydrophobicContact SD-CE2 4.32Å |
| 141 | R | 97.7 | Very high | 97.7 | Very high | 32 Ų | 32 | 19.2 Ų | 19.2 | 12% | 0.121 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 179.3 | -166.3 | 176.5 | 65.7 | 179.6 | 1.8 | 112.1 | L137 L138 T139 A143 I144 D145 L209 A246 G247 F248 | L137-R141 WeakPolarHBondContact O-CB 3.28Å; L137-R141 PolarHBondContact O-N 3.21Å; L138-R141 PolarHBondContact O-N 3.32Å; T139-R141 VanDerWaalsContact C-N 3.35Å; T139-R141 PolarHBondContact O-N 3.39Å; R141-A143 VanDerWaalsContact C-N 3.34Å; R141-A143 PolarHBondContact O-N 2.91Å; R141-I144 PolarHBondContact O-N 3.33Å; R141-D145 VanDerWaalsContact O-CG 3.23Å; R141-D145 PolarHBondContact O-N 2.75Å; R141-L209 HydrophobicContact CB-CD2 4.17Å; R141-A246 PolarHBondContact NH2-O 3.37Å; R141-G247 PolarHBondContact NH1-O 3.28Å; R141-F248 HydrophobicContact CB-CZ 4.43Å; R141-F248 VanDerWaalsContact NH1-CG 3.33Å |
| 142 | C | 97.6 | Very high | 97.5 | Very high | 37 Ų | 37 | 19.8 Ų | 19.8 | 25% | 0.25 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.3 | -40.6 | 176.9 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | L27 L138 T139 M140 D145 N146 | L27-C142 HydrophobicContact CD1-CB 4.23Å; L27-C142 HydrophobicContact CD2-CB 3.85Å; L138-C142 PolarHBondContact O-N 3.44Å; L138-C142 PolarHBondContact O-SG 3.21Å; T139-C142 PolarHBondContact O-N 2.93Å; M140-C142 PolarHBondContact O-N 3.1Å; C142-D145 PolarHBondContact O-N 2.95Å; C142-N146 PolarHBondContact O-N 3.16Å |
| 143 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | M24 L27 F28 T139 M140 R141 N146 L147 F366 | M24-A143 HydrophobicContact CE-CB 4.14Å; M24-A143 HydrophobicContact SD-CB 3.68Å; L27-A143 HydrophobicContact CD1-CB 4.12Å; F28-A143 HydrophobicContact CE2-CB 3.88Å; F28-A143 HydrophobicContact CZ-CB 4.15Å; T139-A143 VanDerWaalsContact O-CB 3.25Å; T139-A143 WeakPolarHBondContact O-CB 3.38Å; T139-A143 PolarHBondContact O-N 3.18Å; M140-A143 PolarHBondContact O-N 3.15Å; R141-A143 VanDerWaalsContact C-N 3.34Å; R141-A143 PolarHBondContact O-N 2.91Å; A143-N146 PolarHBondContact O-N 2.87Å; A143-L147 WeakPolarHBondContact O-CG 3.44Å; A143-L147 PolarHBondContact O-N 3.04Å; A143-F366 HydrophobicContact CB-CD1 3.37Å; A143-F366 HydrophobicContact CB-CE1 3.5Å; A143-F366 VanDerWaalsContact CB-CE1 3.5Å; A143-F366 HydrophobicContact CB-CG 4.01Å; A143-F366 HydrophobicContact CB-CZ 4.22Å |
| 144 | I | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.6 | -44.3 | 174 | -65.2 | 164.7 | 0 | 0 | 0 | 110.5 | M140 R141 N146 L147 L148 L202 R206 V272 F366 | M140-I144 WeakPolarHBondContact O-CB 3.49Å; M140-I144 WeakPolarHBondContact O-CG1 3.48Å; M140-I144 PolarHBondContact O-N 2.74Å; R141-I144 PolarHBondContact O-N 3.33Å; I144-N146 VanDerWaalsContact C-N 3.27Å; I144-N146 PolarHBondContact O-N 3.41Å; I144-L147 PolarHBondContact O-N 3.19Å; I144-L147 VanDerWaalsContact O-N 3.16Å; I144-L148 HydrophobicContact CG2-CD1 3.84Å; I144-L148 HydrophobicContact CG2-CG 4.04Å; I144-L148 WeakPolarHBondContact O-CB 3.35Å; I144-L148 WeakPolarHBondContact O-CG 3.38Å; I144-L148 PolarHBondContact O-N 3.17Å; I144-L202 HydrophobicContact CB-CD1 4.43Å; I144-L202 HydrophobicContact CG1-CD1 4.07Å; I144-L202 HydrophobicContact CG2-CD1 3.65Å; I144-L202 HydrophobicContact CG2-CD2 4.25Å; I144-L202 HydrophobicContact CG2-CG 3.73Å; I144-R206 HydrophobicContact CB-CG 4.16Å; I144-R206 HydrophobicContact CG2-CB 3.58Å; I144-R206 HydrophobicContact CG2-CG 3.58Å; I144-V272 HydrophobicContact CD1-CG1 4.14Å; I144-V272 HydrophobicContact CD1-CG2 3.93Å; I144-V272 HydrophobicContact CG1-CG1 4.46Å; I144-F366 HydrophobicContact CD1-CZ 4.38Å; I144-F366 HydrophobicContact CG1-CE1 3.66Å; I144-F366 HydrophobicContact CG1-CZ 3.78Å |
| 145 | D | 96.3 | Very high | 97.3 | Very high | 46 Ų | 46 | 19.2 Ų | 19.2 | 25% | 0.246 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.3 | -37.7 | 178.4 | -70.7 | -14.2 | 0 | 0 | 0 | 111.6 | R141 C142 K149 R206 | R141-D145 VanDerWaalsContact O-CG 3.23Å; R141-D145 PolarHBondContact O-N 2.75Å; C142-D145 PolarHBondContact O-N 2.95Å; D145-K149 WeakPolarHBondContact O-CG 3.39Å; D145-K149 PolarHBondContact O-N 2.79Å; D145-R206 WeakPolarHBondContact OD1-CG 3.49Å; D145-R206 IonicContact OD1-CZ 3.76Å; D145-R206 IonicContact OD1-NE 2.64Å; D145-R206 PolarHBondContact OD1-NE 2.89Å; D145-R206 IonicContact OD1-NH2 2.69Å; D145-R206 PolarHBondContact OD1-NH2 2.87Å; D145-R206 IonicContact OD2-CZ 3.97Å; D145-R206 IonicContact OD2-NE 3.11Å; D145-R206 IonicContact OD2-NH2 2.99Å; D145-R206 PolarHBondContact OD2-NH2 3.44Å |
| 146 | N | 96.1 | Very high | 97.1 | Very high | 42 Ų | 42 | 21.7 Ų | 21.7 | 23% | 0.225 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.9 | -44.9 | 173.1 | -76.9 | -7.3 | 0 | 0 | 0 | 112.5 | M24 C142 A143 I144 L148 K149 R150 | M24-N146 HydrophobicContact CE-CB 4.21Å; C142-N146 PolarHBondContact O-N 3.16Å; A143-N146 PolarHBondContact O-N 2.87Å; I144-N146 VanDerWaalsContact C-N 3.27Å; I144-N146 PolarHBondContact O-N 3.41Å; N146-L148 PolarHBondContact O-N 3.18Å; N146-K149 WeakPolarHBondContact O-CB 3.28Å; N146-K149 PolarHBondContact O-N 3.4Å; N146-R150 PolarHBondContact O-N 2.98Å |
| 147 | L | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 177.3 | -68.6 | 179.9 | 0 | 0 | 0 | 111.9 | M24 A143 I144 K149 R150 V151 L202 L276 F366 T369 D370 L373 | M24-L147 HydrophobicContact CE-CD2 3.8Å; M24-L147 HydrophobicContact CE-CG 3.85Å; A143-L147 WeakPolarHBondContact O-CG 3.44Å; A143-L147 PolarHBondContact O-N 3.04Å; I144-L147 PolarHBondContact O-N 3.19Å; I144-L147 VanDerWaalsContact O-N 3.16Å; L147-K149 VanDerWaalsContact C-N 3.28Å; L147-K149 PolarHBondContact O-N 3.06Å; L147-R150 PolarHBondContact O-N 3Å; L147-V151 WeakPolarHBondContact O-CG2 3.33Å; L147-V151 PolarHBondContact O-N 3.4Å; L147-L202 HydrophobicContact CB-CD2 4Å; L147-L276 HydrophobicContact CD1-CD2 3.5Å; L147-F366 HydrophobicContact CD1-CD1 3.57Å; L147-F366 HydrophobicContact CD1-CE1 3.9Å; L147-F366 HydrophobicContact CG-CD1 4.46Å; L147-T369 HydrophobicContact CD1-CG2 3.89Å; L147-T369 HydrophobicContact CD2-CG2 3.99Å; L147-D370 HydrophobicContact CD2-CB 3.95Å; L147-L373 HydrophobicContact CD2-CD1 4.02Å |
| 148 | L | 96.7 | Very high | 97 | Very high | 24 Ų | 24 | 21.3 Ų | 21.3 | 13% | 0.126 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.2 | -39.9 | 177.2 | -75.9 | 172.2 | 0 | 0 | 0 | 111.8 | I144 N146 K152 F199 L202 S203 R206 | I144-L148 HydrophobicContact CG2-CD1 3.84Å; I144-L148 HydrophobicContact CG2-CG 4.04Å; I144-L148 WeakPolarHBondContact O-CB 3.35Å; I144-L148 WeakPolarHBondContact O-CG 3.38Å; I144-L148 PolarHBondContact O-N 3.17Å; N146-L148 PolarHBondContact O-N 3.18Å; L148-K152 VanDerWaalsContact O-CB 3.25Å; L148-K152 WeakPolarHBondContact O-CB 3.5Å; L148-K152 PolarHBondContact O-N 3.49Å; L148-F199 HydrophobicContact CB-CE2 4.28Å; L148-F199 HydrophobicContact CD2-CD2 3.72Å; L148-F199 HydrophobicContact CD2-CE2 3.57Å; L148-F199 HydrophobicContact CD2-CZ 4.29Å; L148-L202 HydrophobicContact CD2-CB 4.05Å; L148-L202 HydrophobicContact CD2-CD2 3.83Å; L148-L202 HydrophobicContact CD2-CG 3.84Å; L148-L202 HydrophobicContact CG-CD2 4.02Å; L148-L202 HydrophobicContact CG-CG 4.17Å; L148-S203 VanDerWaalsContact CD2-OG 3.3Å; L148-S203 WeakPolarHBondContact CD2-OG 3.33Å; L148-R206 HydrophobicContact CD1-CB 4.27Å; L148-R206 HydrophobicContact CD1-CG 4.22Å |
| 149 | K | 94.4 | Very high | 96.9 | Very high | 90 Ų | 90 | 24 Ų | 24 | 39% | 0.391 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 173.4 | -66.4 | 168.5 | -171 | 169.9 | 0 | 111.1 | D145 N146 L147 K152 T153 L498 | D145-K149 WeakPolarHBondContact O-CG 3.39Å; D145-K149 PolarHBondContact O-N 2.79Å; N146-K149 WeakPolarHBondContact O-CB 3.28Å; N146-K149 PolarHBondContact O-N 3.4Å; L147-K149 VanDerWaalsContact C-N 3.28Å; L147-K149 PolarHBondContact O-N 3.06Å; K149-K152 WeakPolarHBondContact O-CB 3.22Å; K149-K152 PolarHBondContact O-N 2.97Å; K149-T153 PolarHBondContact O-N 3.45Å; K149-T153 PolarHBondContact O-OG1 3.43Å; K149-L498 HydrophobicContact CB-CD1 4.11Å; K149-L498 HydrophobicContact CG-CD1 3.96Å |
| 150 | R | 95.1 | Very high | 96.8 | Very high | 51 Ų | 51 | 28.5 Ų | 28.5 | 19% | 0.192 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65 | -45.4 | 179 | -66.7 | -165.5 | -173 | -74 | 0.7 | 112.6 | S21 N146 L147 K152 T153 C154 D370 L373 | S21-R150 VanDerWaalsContact CB-NH2 3.31Å; S21-R150 PolarHBondContact OG-NH2 3.16Å; S21-R150 VanDerWaalsContact OG-NH2 3.16Å; N146-R150 PolarHBondContact O-N 2.98Å; L147-R150 PolarHBondContact O-N 3Å; R150-K152 VanDerWaalsContact C-N 3.26Å; R150-K152 PolarHBondContact O-N 3.27Å; R150-T153 WeakPolarHBondContact O-CB 3.3Å; R150-T153 PolarHBondContact O-N 2.7Å; R150-T153 VanDerWaalsContact O-N 3.1Å; R150-C154 PolarHBondContact O-N 2.75Å; R150-C154 PolarHBondContact O-SG 2.88Å; R150-D370 WeakPolarHBondContact CD-OD1 3.39Å; R150-D370 IonicContact CZ-OD1 3.95Å; R150-D370 IonicContact NE-OD1 2.82Å; R150-D370 PolarHBondContact NE-OD1 3.5Å; R150-D370 IonicContact NH2-OD1 3.75Å; R150-L373 HydrophobicContact CB-CB 4.14Å; R150-L373 HydrophobicContact CB-CD1 4.02Å |
| 151 | V | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.9 | -41.7 | 176 | 178.1 | 0 | 0 | 0 | 0 | 110.6 | L147 T153 C154 L155 L195 F199 I279 L373 | L147-V151 WeakPolarHBondContact O-CG2 3.33Å; L147-V151 PolarHBondContact O-N 3.4Å; V151-T153 VanDerWaalsContact C-N 3.34Å; V151-T153 PolarHBondContact O-N 3.04Å; V151-C154 WeakPolarHBondContact O-CB 3.23Å; V151-C154 PolarHBondContact O-N 3.27Å; V151-L155 HydrophobicContact CG1-CD1 4.15Å; V151-L155 HydrophobicContact CG1-CG 4.45Å; V151-L155 WeakPolarHBondContact O-CG 3.27Å; V151-L155 PolarHBondContact O-N 3.37Å; V151-L195 HydrophobicContact CG1-CD1 3.92Å; V151-L195 HydrophobicContact CG1-CD2 4.36Å; V151-L195 HydrophobicContact CG1-CG 3.92Å; V151-F199 HydrophobicContact CB-CD2 4.03Å; V151-F199 HydrophobicContact CG1-CB 3.74Å; V151-F199 HydrophobicContact CG1-CD2 3.73Å; V151-F199 HydrophobicContact CG1-CG 4.18Å; V151-I279 HydrophobicContact CG2-CD1 3.83Å; V151-L373 HydrophobicContact CG2-CD1 3.52Å; V151-L373 HydrophobicContact CG2-CD2 3.93Å; V151-L373 HydrophobicContact CG2-CG 4.4Å |
| 152 | K | 95.8 | Very high | 96.9 | Very high | 11 Ų | 11 | 27.7 Ų | 27.7 | 5% | 0.048 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.7 | -38.5 | 175.9 | -171.5 | 164.4 | 179.1 | 171.8 | 0 | 112.3 | L148 K149 R150 L155 H156 F199 I489 F490 S492 S493 L498 F499 | L148-K152 VanDerWaalsContact O-CB 3.25Å; L148-K152 WeakPolarHBondContact O-CB 3.5Å; L148-K152 PolarHBondContact O-N 3.49Å; K149-K152 WeakPolarHBondContact O-CB 3.22Å; K149-K152 PolarHBondContact O-N 2.97Å; R150-K152 VanDerWaalsContact C-N 3.26Å; R150-K152 PolarHBondContact O-N 3.27Å; K152-L155 PolarHBondContact O-N 2.76Å; K152-H156 WeakPolarHBondContact O-CB 3.41Å; K152-H156 PolarHBondContact O-N 3.23Å; K152-F199 HydrophobicContact CB-CE2 4.36Å; K152-I489 HydrophobicContact CD-CG2 4.04Å; K152-I489 WeakPolarHBondContact CE-O 3.37Å; K152-I489 HydrophobicContact CG-CG2 4.17Å; K152-I489 PolarHBondContact NZ-O 2.99Å; K152-F490 HydrophobicContact CG-CD1 3.86Å; K152-F490 HydrophobicContact CG-CE1 4Å; K152-F490 WeakPolarHBondContact O-CE1 3.42Å; K152-S492 PolarHBondContact NZ-OG 2.94Å; K152-S492 VanDerWaalsContact NZ-OG 3.09Å; K152-S493 WeakPolarHBondContact CE-OG 3.35Å; K152-S493 PolarHBondContact NZ-OG 3.28Å; K152-L498 HydrophobicContact CD-CD2 3.8Å; K152-L498 HydrophobicContact CG-CD2 3.99Å; K152-F499 HydrophobicContact CG-CE1 4.4Å |
| 153 | T | 95 | Very high | 96.9 | Very high | 10 Ų | 10 | 27.9 Ų | 27.9 | 6% | 0.061 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.5 | -47.9 | 171.3 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | K149 R150 V151 L155 H156 R157 Q377 | K149-T153 PolarHBondContact O-N 3.45Å; K149-T153 PolarHBondContact O-OG1 3.43Å; R150-T153 WeakPolarHBondContact O-CB 3.3Å; R150-T153 PolarHBondContact O-N 2.7Å; R150-T153 VanDerWaalsContact O-N 3.1Å; V151-T153 VanDerWaalsContact C-N 3.34Å; V151-T153 PolarHBondContact O-N 3.04Å; T153-L155 PolarHBondContact O-N 3.42Å; T153-H156 WeakPolarHBondContact O-CB 3.17Å; T153-H156 PolarHBondContact O-N 3.32Å; T153-R157 WeakPolarHBondContact O-CG 3.36Å; T153-R157 PolarHBondContact O-N 3.11Å; T153-Q377 VanDerWaalsContact CG2-CD 3.48Å; T153-Q377 HydrophobicContact CG2-CG 4.1Å |
| 154 | C | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.3 | -44.6 | 176.3 | -66.1 | 0 | 0 | 0 | 0 | 112.4 | R150 V151 H156 R157 L158 L195 F376 L380 | R150-C154 PolarHBondContact O-N 2.75Å; R150-C154 PolarHBondContact O-SG 2.88Å; V151-C154 WeakPolarHBondContact O-CB 3.23Å; V151-C154 PolarHBondContact O-N 3.27Å; C154-H156 VanDerWaalsContact C-N 3.27Å; C154-H156 PolarHBondContact O-N 3.11Å; C154-R157 PolarHBondContact O-N 3.1Å; C154-L158 PolarHBondContact O-N 3.19Å; C154-L195 HydrophobicContact CB-CD2 3.75Å; C154-F376 HydrophobicContact CB-CD1 4.13Å; C154-F376 HydrophobicContact CB-CE1 4.19Å; C154-L380 HydrophobicContact CB-CD1 3.99Å |
| 155 | L | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.7 | -38.5 | 174.7 | -76 | 170.3 | 0 | 0 | 0 | 111.8 | V151 K152 T153 R159 A192 L195 L196 F199 L486 I489 F490 | V151-L155 HydrophobicContact CG1-CD1 4.15Å; V151-L155 HydrophobicContact CG1-CG 4.45Å; V151-L155 WeakPolarHBondContact O-CG 3.27Å; V151-L155 PolarHBondContact O-N 3.37Å; K152-L155 PolarHBondContact O-N 2.76Å; T153-L155 PolarHBondContact O-N 3.42Å; L155-R159 VanDerWaalsContact O-CB 3.29Å; L155-R159 WeakPolarHBondContact O-CB 3.32Å; L155-R159 PolarHBondContact O-N 2.98Å; L155-A192 HydrophobicContact CD2-CB 4.44Å; L155-A192 WeakPolarHBondContact CD2-O 3.39Å; L155-L195 HydrophobicContact CD2-CB 3.94Å; L155-L195 HydrophobicContact CD2-CD2 4Å; L155-L195 HydrophobicContact CD2-CG 3.98Å; L155-L195 HydrophobicContact CG-CD2 3.98Å; L155-L195 HydrophobicContact CG-CG 4.13Å; L155-L196 HydrophobicContact CD2-CB 4.17Å; L155-F199 HydrophobicContact CD1-CB 4.04Å; L155-F199 HydrophobicContact CD1-CD2 4.44Å; L155-F199 HydrophobicContact CD1-CG 4.1Å; L155-L486 HydrophobicContact CD2-CD2 4.16Å; L155-I489 HydrophobicContact CD1-CD1 4.44Å; L155-F490 HydrophobicContact CB-CE1 4.19Å; L155-F490 HydrophobicContact CB-CZ 4.12Å |
| 156 | H | 95.9 | Very high | 96.9 | Very high | 53 Ų | 53 | 33.8 Ų | 33.8 | 25% | 0.245 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.4 | -41.2 | 176.8 | -178.4 | 88 | 0 | 0 | 0 | 112.5 | K152 T153 C154 R159 H160 F490 F499 | K152-H156 WeakPolarHBondContact O-CB 3.41Å; K152-H156 PolarHBondContact O-N 3.23Å; T153-H156 WeakPolarHBondContact O-CB 3.17Å; T153-H156 PolarHBondContact O-N 3.32Å; C154-H156 VanDerWaalsContact C-N 3.27Å; C154-H156 PolarHBondContact O-N 3.11Å; H156-R159 WeakPolarHBondContact O-CB 3.18Å; H156-R159 PolarHBondContact O-N 3.49Å; H156-H160 PolarHBondContact O-N 3.17Å; H156-F490 HydrophobicContact CB-CD1 4.4Å; H156-F490 HydrophobicContact CB-CE1 3.77Å; H156-F490 HydrophobicContact CB-CZ 3.87Å; H156-F499 HydrophobicContact CB-CD1 3.6Å; H156-F499 HydrophobicContact CB-CE1 3.43Å; H156-F499 VanDerWaalsContact CB-CE1 3.43Å; H156-F499 HydrophobicContact CB-CZ 4.46Å; H156-F499 AromaticContact CD2-CD1 3.83Å; H156-F499 AromaticContact CG-CD1 3.55Å; H156-F499 AromaticContact CG-CE1 3.56Å; H156-F499 AromaticContact ND1-CE1 3.77Å |
| 157 | R | 96.3 | Very high | 97 | Very high | 33 Ų | 33 | 38 Ų | 38 | 13% | 0.125 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.5 | -45.8 | 174 | -59.2 | -54.8 | -176.3 | -119 | -5.2 | 111.8 | T153 C154 R159 H160 F161 L380 E381 F499 A500 N501 | T153-R157 WeakPolarHBondContact O-CG 3.36Å; T153-R157 PolarHBondContact O-N 3.11Å; C154-R157 PolarHBondContact O-N 3.1Å; R157-R159 VanDerWaalsContact C-N 3.29Å; R157-R159 PolarHBondContact O-N 3Å; R157-H160 PolarHBondContact O-N 3.15Å; R157-F161 WeakPolarHBondContact O-CB 3.46Å; R157-F161 PolarHBondContact O-N 3.33Å; R157-L380 HydrophobicContact CB-CB 3.84Å; R157-L380 HydrophobicContact CB-CD1 4.28Å; R157-L380 HydrophobicContact CG-CB 4.46Å; R157-E381 HydrophobicContact CG-CG 3.98Å; R157-E381 IonicContact CZ-OE1 3.78Å; R157-E381 VanDerWaalsContact NE-CG 3.3Å; R157-E381 IonicContact NE-OE1 3.78Å; R157-E381 PolarHBondContact NE-OE1 3.39Å; R157-E381 IonicContact NH2-OE1 3.93Å; R157-E381 PolarHBondContact NH2-OE1 3.44Å; R157-F499 PolarHBondContact NH1-O 3.07Å; R157-F499 PolarHBondContact NH2-O 3.04Å; R157-A500 PolarHBondContact NH2-O 3.01Å; R157-N501 PolarHBondContact NH2-OD1 2.99Å |
| 158 | L | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.4 | -39.5 | 174.4 | -76.6 | 167.8 | 0 | 0 | 0 | 111.9 | C154 A162 W191 A192 L195 F376 L380 | C154-L158 PolarHBondContact O-N 3.19Å; L158-A162 WeakPolarHBondContact O-CB 3.34Å; L158-A162 PolarHBondContact O-N 3.16Å; L158-W191 HydrophobicContact CD1-CB 4.43Å; L158-W191 HydrophobicContact CD2-CB 4Å; L158-W191 HydrophobicContact CD2-CE3 3.81Å; L158-A192 HydrophobicContact CB-CB 4.02Å; L158-A192 HydrophobicContact CD1-CB 4.27Å; L158-L195 HydrophobicContact CD1-CD2 4.04Å; L158-F376 HydrophobicContact CD1-CE1 4.4Å; L158-F376 HydrophobicContact CD1-CZ 4.37Å; L158-L380 HydrophobicContact CD1-CD1 4.22Å; L158-L380 HydrophobicContact CD2-CD1 4.33Å; L158-L380 HydrophobicContact CD2-CD2 3.54Å; L158-L380 HydrophobicContact CG-CD1 3.78Å; L158-L380 HydrophobicContact CG-CD2 3.95Å |
| 159 | R | 97.1 | Very high | 96.9 | Very high | 64 Ų | 64 | 39.3 Ų | 39.3 | 24% | 0.242 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.7 | -48.8 | 173.9 | 178.1 | -93 | -175.6 | -139.2 | 4.4 | 111.4 | L155 H156 R157 A162 V163 V482 L486 E487 F490 | L155-R159 VanDerWaalsContact O-CB 3.29Å; L155-R159 WeakPolarHBondContact O-CB 3.32Å; L155-R159 PolarHBondContact O-N 2.98Å; H156-R159 WeakPolarHBondContact O-CB 3.18Å; H156-R159 PolarHBondContact O-N 3.49Å; R157-R159 VanDerWaalsContact C-N 3.29Å; R157-R159 PolarHBondContact O-N 3Å; R159-A162 PolarHBondContact O-N 3.45Å; R159-V163 WeakPolarHBondContact O-CG2 3.47Å; R159-V163 PolarHBondContact O-N 3.35Å; R159-V482 HydrophobicContact CG-CG1 3.85Å; R159-V482 HydrophobicContact CG-CG2 4.03Å; R159-L486 HydrophobicContact CB-CD1 3.65Å; R159-L486 HydrophobicContact CG-CD1 3.95Å; R159-E487 IonicContact CZ-OE1 3.37Å; R159-E487 IonicContact NE-OE1 3.43Å; R159-E487 PolarHBondContact NE-OE1 3.33Å; R159-E487 IonicContact NH2-OE1 3.84Å; R159-E487 PolarHBondContact NH2-OE1 2.78Å; R159-F490 HydrophobicContact CB-CE2 4.29Å; R159-F490 HydrophobicContact CG-CE2 4.25Å |
| 160 | H | 96.4 | Very high | 97 | Very high | 105 Ų | 105 | 35 Ų | 35 | 49% | 0.486 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59.6 | -52.4 | 179.4 | -174.7 | -79.8 | 0 | 0 | 0 | 110.7 | H156 R157 A162 V163 E164 | H156-H160 PolarHBondContact O-N 3.17Å; R157-H160 PolarHBondContact O-N 3.15Å; H160-A162 VanDerWaalsContact C-N 3.31Å; H160-A162 PolarHBondContact O-N 3.27Å; H160-V163 PolarHBondContact O-N 3.36Å; H160-E164 IonicContact CE1-OE2 2.72Å; H160-E164 PolarHBondContact CE1-OE2 3.28Å; H160-E164 VanDerWaalsContact CE1-OE2 3.23Å; H160-E164 IonicContact ND1-OE2 3.69Å; H160-E164 PolarHBondContact ND1-OE2 2.59Å; H160-E164 WeakPolarHBondContact O-CB 3.28Å; H160-E164 PolarHBondContact O-N 3.32Å |
| 161 | F | 98 | Very high | 97.1 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 6% | 0.057 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58 | -42.2 | 178.3 | -173.2 | -87.5 | 0 | 0 | 0 | 112.4 | R157 H165 V184 A188 W191 I299 L383 V385 | R157-F161 WeakPolarHBondContact O-CB 3.46Å; R157-F161 PolarHBondContact O-N 3.33Å; F161-H165 AromaticContact CD2-CD2 3.73Å; F161-H165 AromaticContact CD2-NE2 3.91Å; F161-H165 AromaticContact CE1-CD2 3.91Å; F161-H165 AromaticContact CE2-CD2 3.55Å; F161-H165 AromaticContact CE2-NE2 3.62Å; F161-H165 AromaticContact CG-CD2 3.98Å; F161-H165 AromaticContact CZ-CD2 3.64Å; F161-H165 PolarHBondContact O-CD2 2.85Å; F161-H165 VanDerWaalsContact O-CD2 3.27Å; F161-H165 PolarHBondContact O-N 3.03Å; F161-H165 VanDerWaalsContact O-N 3.13Å; F161-V184 HydrophobicContact CE1-CG1 3.64Å; F161-V184 HydrophobicContact CZ-CG1 3.83Å; F161-A188 HydrophobicContact CD1-CB 3.54Å; F161-A188 HydrophobicContact CE1-CB 4Å; F161-W191 HydrophobicContact CE1-CZ3 4.3Å; F161-I299 HydrophobicContact CZ-CD1 4.08Å; F161-L383 HydrophobicContact CD2-CB 4.2Å; F161-L383 HydrophobicContact CD2-CD1 4.07Å; F161-L383 HydrophobicContact CE2-CB 3.75Å; F161-L383 HydrophobicContact CE2-CD1 3.9Å; F161-L383 HydrophobicContact CE2-CG 4.5Å; F161-L383 HydrophobicContact CG-CD1 4.46Å; F161-L383 HydrophobicContact CZ-CD1 4.15Å; F161-V385 HydrophobicContact CE2-CG2 3.49Å; F161-V385 VanDerWaalsContact CE2-CG2 3.49Å; F161-V385 HydrophobicContact CZ-CG2 3.47Å; F161-V385 VanDerWaalsContact CZ-CG2 3.47Å |
| 162 | A | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L158 R159 H160 K166 G185 A188 V478 | L158-A162 WeakPolarHBondContact O-CB 3.34Å; L158-A162 PolarHBondContact O-N 3.16Å; R159-A162 PolarHBondContact O-N 3.45Å; H160-A162 VanDerWaalsContact C-N 3.31Å; H160-A162 PolarHBondContact O-N 3.27Å; A162-K166 WeakPolarHBondContact O-CA 3.47Å; A162-K166 WeakPolarHBondContact O-CB 3.34Å; A162-K166 PolarHBondContact O-N 3.26Å; A162-K166 VanDerWaalsContact O-N 3.09Å; A162-G185 WeakPolarHBondContact CB-O 3.04Å; A162-G185 VanDerWaalsContact O-CA 3.22Å; A162-G185 WeakPolarHBondContact O-CA 3.27Å; A162-A188 HydrophobicContact CB-CB 3.98Å; A162-V478 HydrophobicContact CB-CG1 4.19Å |
| 163 | V | 98.3 | Very high | 97.2 | Very high | 41 Ų | 41 | 35.9 Ų | 35.9 | 25% | 0.248 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69 | -44.2 | 179.5 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | R159 H160 H165 K166 V482 | R159-V163 WeakPolarHBondContact O-CG2 3.47Å; R159-V163 PolarHBondContact O-N 3.35Å; H160-V163 PolarHBondContact O-N 3.36Å; V163-H165 VanDerWaalsContact C-N 3.29Å; V163-H165 PolarHBondContact O-N 3.35Å; V163-K166 WeakPolarHBondContact O-CG 3.25Å; V163-K166 PolarHBondContact O-N 3.24Å; V163-V482 HydrophobicContact CG2-CG1 4.43Å; V163-V482 HydrophobicContact CG2-CG2 3.9Å |
| 164 | E | 98.1 | Very high | 97.2 | Very high | 120 Ų | 120 | 39.5 Ų | 39.5 | 56% | 0.561 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -58.1 | -41.7 | 179 | -175.9 | 177.7 | 167.3 | 0 | 0 | 111.8 | H160 | H160-E164 IonicContact CE1-OE2 2.72Å; H160-E164 PolarHBondContact CE1-OE2 3.28Å; H160-E164 VanDerWaalsContact CE1-OE2 3.23Å; H160-E164 IonicContact ND1-OE2 3.69Å; H160-E164 PolarHBondContact ND1-OE2 2.59Å; H160-E164 WeakPolarHBondContact O-CB 3.28Å; H160-E164 PolarHBondContact O-N 3.32Å |
| 165 | H | 98 | Very high | 97.2 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 6% | 0.06 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 18 | -175.3 | -57.4 | -64 | 0 | 0 | 0 | 114.3 | F161 V163 H167 L168 V184 G185 V385 | F161-H165 AromaticContact CD2-CD2 3.73Å; F161-H165 AromaticContact CD2-NE2 3.91Å; F161-H165 AromaticContact CE1-CD2 3.91Å; F161-H165 AromaticContact CE2-CD2 3.55Å; F161-H165 AromaticContact CE2-NE2 3.62Å; F161-H165 AromaticContact CG-CD2 3.98Å; F161-H165 AromaticContact CZ-CD2 3.64Å; F161-H165 PolarHBondContact O-CD2 2.85Å; F161-H165 VanDerWaalsContact O-CD2 3.27Å; F161-H165 PolarHBondContact O-N 3.03Å; F161-H165 VanDerWaalsContact O-N 3.13Å; V163-H165 VanDerWaalsContact C-N 3.29Å; V163-H165 PolarHBondContact O-N 3.35Å; H165-H167 PolarHBondContact O-N 2.99Å; H165-H167 VanDerWaalsContact O-N 3.12Å; H165-L168 HydrophobicContact CB-CB 4.31Å; H165-L168 PolarHBondContact O-N 2.82Å; H165-L168 VanDerWaalsContact O-N 3.1Å; H165-V184 HydrophobicContact CB-CB 3.86Å; H165-V184 HydrophobicContact CB-CG1 3.7Å; H165-G185 WeakPolarHBondContact O-CA 3.39Å; H165-G185 PolarHBondContact O-N 2.83Å; H165-V385 WeakPolarHBondContact NE2-CG2 3.23Å |
| 166 | K | 97.8 | Very high | 97 | Very high | 38 Ų | 38 | 54.4 Ų | 54.4 | 17% | 0.165 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21.7 | -174.6 | 73.1 | -178.7 | 175.1 | 168 | 0 | 114.8 | A162 V163 T183 A475 V478 D479 | A162-K166 WeakPolarHBondContact O-CA 3.47Å; A162-K166 WeakPolarHBondContact O-CB 3.34Å; A162-K166 PolarHBondContact O-N 3.26Å; A162-K166 VanDerWaalsContact O-N 3.09Å; V163-K166 WeakPolarHBondContact O-CG 3.25Å; V163-K166 PolarHBondContact O-N 3.24Å; K166-T183 VanDerWaalsContact O-CB 3.26Å; K166-T183 WeakPolarHBondContact O-CB 3.15Å; K166-T183 VanDerWaalsContact O-CG2 3.27Å; K166-T183 WeakPolarHBondContact O-CG2 3.32Å; K166-T183 PolarHBondContact O-OG1 3.05Å; K166-A475 HydrophobicContact CB-CB 4.41Å; K166-A475 HydrophobicContact CD-CB 4.34Å; K166-A475 HydrophobicContact CG-CB 4.16Å; K166-V478 HydrophobicContact CB-CB 4.09Å; K166-V478 HydrophobicContact CB-CG1 3.99Å; K166-V478 HydrophobicContact CB-CG2 4.21Å; K166-D479 IonicContact NZ-OD1 2.86Å; K166-D479 PolarHBondContact NZ-OD1 3.49Å; K166-D479 IonicContact NZ-OD2 2.81Å; K166-D479 PolarHBondContact NZ-OD2 2.84Å |
| 167 | H | 97.1 | Very high | 96.9 | Very high | 130 Ų | 130 | 57 Ų | 57 | 60% | 0.602 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -6.6 | 178.4 | -64.6 | -69.7 | 0 | 0 | 0 | 113.8 | H165 A169 A475 | H165-H167 PolarHBondContact O-N 2.99Å; H165-H167 VanDerWaalsContact O-N 3.12Å; H167-A169 PolarHBondContact O-N 3.46Å; H167-A169 VanDerWaalsContact O-N 3.07Å; H167-A475 WeakPolarHBondContact CE1-CB 3.28Å |
| 168 | L | 97 | Very high | 96.7 | Very high | 36 Ų | 36 | 58 Ų | 58 | 19% | 0.188 | 28% | 0.278 | C | S | . | . | trans | -77.3 | 99.7 | -177.7 | 179.2 | 60.2 | 0 | 0 | 0 | 110.1 | H165 T183 V184 V385 I390 | H165-L168 HydrophobicContact CB-CB 4.31Å; H165-L168 PolarHBondContact O-N 2.82Å; H165-L168 VanDerWaalsContact O-N 3.1Å; L168-T183 CarbonylContact O-C 3.58Å; L168-T183 WeakPolarHBondContact O-CA 3.23Å; L168-T183 WeakPolarHBondContact O-CB 3.1Å; L168-V184 HydrophobicContact CB-CB 4.33Å; L168-V184 HydrophobicContact CB-CG2 4.4Å; L168-V184 HydrophobicContact CD2-CB 4.12Å; L168-V184 HydrophobicContact CD2-CG2 3.74Å; L168-V184 HydrophobicContact CG-CB 4.37Å; L168-V184 HydrophobicContact CG-CG2 3.93Å; L168-V184 PolarHBondContact O-N 2.86Å; L168-V385 HydrophobicContact CD2-CG1 3.55Å; L168-I390 HydrophobicContact CD2-CD1 4.03Å | ||
| 169 | A | 96.5 | Very high | 96.5 | Very high | 15 Ų | 15 | 59 Ų | 59 | 12% | 0.124 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 139.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | H167 T182 I390 V471 | H167-A169 PolarHBondContact O-N 3.46Å; H167-A169 VanDerWaalsContact O-N 3.07Å; A169-T182 CarbonylContact C-O 3.08Å; A169-T182 WeakPolarHBondContact CA-O 3.49Å; A169-I390 WeakPolarHBondContact O-CG2 3.41Å; A169-V471 HydrophobicContact CB-CG1 3.67Å |
| 170 | T | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 152.1 | 177.9 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | G172 T182 V184 R187 E298 | T170-G172 PolarHBondContact O-N 3.18Å; T170-T182 HydrophobicContact CG2-CG2 3.73Å; T170-T182 PolarHBondContact N-O 3.32Å; T170-T182 PolarHBondContact O-N 2.89Å; T170-T182 VanDerWaalsContact O-O 3.14Å; T170-V184 HydrophobicContact CG2-CG2 3.92Å; T170-R187 PolarHBondContact OG1-NH1 3.4Å; T170-E298 PolarHBondContact OG1-OE2 3.15Å |
| 171 | V | 96.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 119.9 | 178.3 | 179.2 | 0 | 0 | 0 | 0 | 109.9 | R173 P178 L181 R187 H393 V394 E397 | V171-R173 PolarHBondContact O-NH1 3.11Å; V171-P178 HydrophobicContact CG1-CB 3.83Å; V171-P178 HydrophobicContact CG1-CG 4.5Å; V171-L181 HydrophobicContact CG2-CD2 4.27Å; V171-R187 PolarHBondContact O-NH2 2.73Å; V171-H393 HydrophobicContact CG2-CB 4.26Å; V171-V394 HydrophobicContact CG2-CG2 4.1Å; V171-E397 HydrophobicContact CG1-CG 4.47Å; V171-E397 HydrophobicContact CG2-CB 4.18Å; V171-E397 HydrophobicContact CG2-CG 4.21Å |
| 172 | G | 96.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 7% | 0.072 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 153.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | T170 A179 S180 | T170-G172 PolarHBondContact O-N 3.18Å; G172-A179 PolarHBondContact N-O 3.32Å; G172-A179 PolarHBondContact O-N 3.34Å; G172-S180 WeakPolarHBondContact CA-O 3.33Å; G172-S180 PolarHBondContact N-O 3.48Å |
| 173 | R | 96.9 | Very high | 96.1 | Very high | 72 Ų | 72 | 55.2 Ų | 55.2 | 27% | 0.272 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 121.1 | -177.7 | -66.2 | 178.5 | 177 | 89.1 | -8.7 | 111.6 | V171 Q177 F296 E298 | V171-R173 PolarHBondContact O-NH1 3.11Å; R173-Q177 VanDerWaalsContact CA-O 3.29Å; R173-Q177 WeakPolarHBondContact CA-O 3.31Å; R173-F296 VanDerWaalsContact CZ-CD2 3.5Å; R173-F296 VanDerWaalsContact NE-CE2 3.3Å; R173-E298 IonicContact CZ-OE1 3.82Å; R173-E298 IonicContact CZ-OE2 3.81Å; R173-E298 IonicContact NH1-OE1 3.69Å; R173-E298 PolarHBondContact NH1-OE1 3.33Å; R173-E298 IonicContact NH1-OE2 3.03Å; R173-E298 PolarHBondContact NH1-OE2 3.32Å; R173-E298 VanDerWaalsContact NH1-OE2 3.16Å; R173-E298 IonicContact NH2-OE1 2.79Å; R173-E298 PolarHBondContact NH2-OE1 3.12Å; R173-E298 IonicContact NH2-OE2 3.8Å |
| 174 | T | 96.7 | Very high | 96.1 | Very high | 86 Ų | 86 | 53.3 Ų | 53.3 | 53% | 0.528 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 134.2 | 170.7 | 57.2 | 0 | 0 | 0 | 0 | 107.7 | Y176 Q177 A179 | T174-Y176 PolarHBondContact O-N 3.13Å; T174-Q177 PolarHBondContact N-O 2.94Å; T174-Q177 PolarHBondContact O-N 2.72Å; T174-A179 HydrophobicContact CG2-CB 4.24Å |
| 175 | H | 96 | Very high | 96.1 | Very high | 175 Ų | 175 | 47.6 Ų | 47.6 | 81% | 0.81 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56 | 26.5 | -169.5 | -48.3 | -88.5 | 0 | 0 | 0 | 113.8 | Q177 | H175-Q177 PolarHBondContact O-N 3.02Å; H175-Q177 VanDerWaalsContact O-N 3.1Å |
| 176 | Y | 93.4 | Very high | 96.1 | Very high | 137 Ų | 137 | 49.1 Ų | 49.1 | 54% | 0.537 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 14.1 | -170.5 | -59.3 | -76.3 | 0 | 0 | 0 | 115.3 | T174 M292 | T174-Y176 PolarHBondContact O-N 3.13Å; Y176-M292 HydrophobicContact CD1-CE 4.33Å; Y176-M292 HydrophobicContact CE1-CE 4.42Å; Y176-M292 HydrophobicContact CE1-CG 4.18Å |
| 177 | Q | 93.5 | Very high | 96.2 | Very high | 108 Ų | 108 | 48.6 Ų | 48.6 | 51% | 0.505 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 149.7 | 172.1 | -64.1 | -61.6 | -65.6 | 0 | 0 | 110 | R173 T174 H175 A179 | R173-Q177 VanDerWaalsContact CA-O 3.29Å; R173-Q177 WeakPolarHBondContact CA-O 3.31Å; T174-Q177 PolarHBondContact N-O 2.94Å; T174-Q177 PolarHBondContact O-N 2.72Å; H175-Q177 PolarHBondContact O-N 3.02Å; H175-Q177 VanDerWaalsContact O-N 3.1Å; Q177-A179 PolarHBondContact O-N 3.25Å |
| 178 | P | 92.7 | Very high | 96.3 | Very high | 54 Ų | 54 | 42.4 Ų | 42.4 | 35% | 0.351 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.2 | 132.8 | 170.3 | -26.8 | 35.6 | 0 | 0 | 0 | 111.7 | V171 E397 | V171-P178 HydrophobicContact CG1-CB 3.83Å; V171-P178 HydrophobicContact CG1-CG 4.5Å; P178-E397 HydrophobicContact CB-CG 4.13Å; P178-E397 HydrophobicContact CG-CG 4.16Å |
| 179 | A | 93 | Very high | 96.3 | Very high | 21 Ų | 21 | 41 Ų | 41 | 17% | 0.174 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 177.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109 | G172 T174 Q177 L401 | G172-A179 PolarHBondContact N-O 3.32Å; G172-A179 PolarHBondContact O-N 3.34Å; T174-A179 HydrophobicContact CG2-CB 4.24Å; Q177-A179 PolarHBondContact O-N 3.25Å; A179-L401 VanDerWaalsContact C-CD2 3.42Å; A179-L401 WeakPolarHBondContact O-CD1 3.28Å; A179-L401 VanDerWaalsContact O-CD2 3.32Å; A179-L401 WeakPolarHBondContact O-CD2 3.44Å |
| 180 | S | 92.3 | Very high | 96.4 | Very high | 64 Ų | 64 | 44 Ų | 44 | 45% | 0.448 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -47.4 | 145.4 | -178.4 | -41.1 | 0 | 0 | 0 | 0 | 112 | G172 E404 | G172-S180 WeakPolarHBondContact CA-O 3.33Å; G172-S180 PolarHBondContact N-O 3.48Å; S180-E404 PolarHBondContact OG-OE2 2.68Å |
| 181 | L | 95 | Very high | 96.5 | Very high | 11 Ų | 11 | 44 Ų | 44 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 148.9 | -174 | -62.9 | -171.3 | 0 | 0 | 0 | 111.8 | V171 V394 L398 L401 A467 H470 V471 | V171-L181 HydrophobicContact CG2-CD2 4.27Å; L181-V394 HydrophobicContact CD1-CG1 3.87Å; L181-V394 HydrophobicContact CD2-CG1 4.21Å; L181-V394 HydrophobicContact CD2-CG2 4.23Å; L181-L398 HydrophobicContact CD1-CD1 4.13Å; L181-L401 HydrophobicContact CD2-CD1 3.48Å; L181-L401 VanDerWaalsContact CD2-CD1 3.48Å; L181-L401 HydrophobicContact CG-CD1 4.04Å; L181-A467 HydrophobicContact CD1-CB 4.01Å; L181-H470 HydrophobicContact CB-CB 4.2Å; L181-H470 HydrophobicContact CD1-CB 4.08Å; L181-H470 HydrophobicContact CG-CB 4.2Å; L181-V471 HydrophobicContact CB-CG1 4.3Å |
| 182 | T | 97.2 | Very high | 96.6 | Very high | 29 Ų | 29 | 44 Ų | 44 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | -168.9 | 166.7 | -168.4 | 0 | 0 | 0 | 0 | 108.6 | A169 T170 C474 | A169-T182 CarbonylContact C-O 3.08Å; A169-T182 WeakPolarHBondContact CA-O 3.49Å; T170-T182 HydrophobicContact CG2-CG2 3.73Å; T170-T182 PolarHBondContact N-O 3.32Å; T170-T182 PolarHBondContact O-N 2.89Å; T170-T182 VanDerWaalsContact O-O 3.14Å; T182-C474 PolarHBondContact OG1-SG 3.27Å |
| 183 | T | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 151.3 | 169.8 | 67.9 | 0 | 0 | 0 | 0 | 111.5 | K166 L168 G185 K186 R187 V471 C474 | K166-T183 VanDerWaalsContact O-CB 3.26Å; K166-T183 WeakPolarHBondContact O-CB 3.15Å; K166-T183 VanDerWaalsContact O-CG2 3.27Å; K166-T183 WeakPolarHBondContact O-CG2 3.32Å; K166-T183 PolarHBondContact O-OG1 3.05Å; L168-T183 CarbonylContact O-C 3.58Å; L168-T183 WeakPolarHBondContact O-CA 3.23Å; L168-T183 WeakPolarHBondContact O-CB 3.1Å; T183-G185 PolarHBondContact O-N 2.68Å; T183-K186 PolarHBondContact O-N 3.42Å; T183-K186 VanDerWaalsContact O-N 3.11Å; T183-K186 VanDerWaalsContact OG1-CB 3.31Å; T183-K186 WeakPolarHBondContact OG1-CB 3.32Å; T183-K186 PolarHBondContact OG1-N 3.32Å; T183-K186 VanDerWaalsContact OG1-N 3.08Å; T183-R187 PolarHBondContact O-N 2.79Å; T183-V471 HydrophobicContact CG2-CB 3.89Å; T183-V471 HydrophobicContact CG2-CG1 3.89Å; T183-V471 HydrophobicContact CG2-CG2 4.43Å; T183-C474 HydrophobicContact CG2-CB 3.68Å |
| 184 | V | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55 | -41.5 | 174.6 | 170 | 0 | 0 | 0 | 0 | 110 | F161 H165 L168 T170 R187 A188 I299 I390 | F161-V184 HydrophobicContact CE1-CG1 3.64Å; F161-V184 HydrophobicContact CZ-CG1 3.83Å; H165-V184 HydrophobicContact CB-CB 3.86Å; H165-V184 HydrophobicContact CB-CG1 3.7Å; L168-V184 HydrophobicContact CB-CB 4.33Å; L168-V184 HydrophobicContact CB-CG2 4.4Å; L168-V184 HydrophobicContact CD2-CB 4.12Å; L168-V184 HydrophobicContact CD2-CG2 3.74Å; L168-V184 HydrophobicContact CG-CB 4.37Å; L168-V184 HydrophobicContact CG-CG2 3.93Å; L168-V184 PolarHBondContact O-N 2.86Å; T170-V184 HydrophobicContact CG2-CG2 3.92Å; V184-R187 WeakPolarHBondContact O-CB 3.04Å; V184-R187 PolarHBondContact O-N 2.85Å; V184-A188 PolarHBondContact O-N 3.36Å; V184-I299 HydrophobicContact CG1-CD1 3.91Å; V184-I390 HydrophobicContact CG2-CD1 3.95Å |
| 185 | G | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.5 | -39.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A162 H165 T183 R187 A188 A189 | A162-G185 WeakPolarHBondContact CB-O 3.04Å; A162-G185 VanDerWaalsContact O-CA 3.22Å; A162-G185 WeakPolarHBondContact O-CA 3.27Å; H165-G185 WeakPolarHBondContact O-CA 3.39Å; H165-G185 PolarHBondContact O-N 2.83Å; T183-G185 PolarHBondContact O-N 2.68Å; G185-R187 PolarHBondContact O-N 2.77Å; G185-A188 PolarHBondContact O-N 3.33Å; G185-A189 PolarHBondContact O-N 3.04Å |
| 186 | K | 98.6 | Very high | 97 | Very high | 45 Ų | 45 | 35.5 Ų | 35.5 | 20% | 0.196 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.2 | -40.3 | 173.9 | 176.5 | 64.3 | -170.3 | -155.9 | 0 | 111.6 | T183 A188 A189 L190 C474 Q477 V478 | T183-K186 PolarHBondContact O-N 3.42Å; T183-K186 VanDerWaalsContact O-N 3.11Å; T183-K186 VanDerWaalsContact OG1-CB 3.31Å; T183-K186 WeakPolarHBondContact OG1-CB 3.32Å; T183-K186 PolarHBondContact OG1-N 3.32Å; T183-K186 VanDerWaalsContact OG1-N 3.08Å; K186-A188 VanDerWaalsContact C-N 3.33Å; K186-A188 PolarHBondContact O-N 3.27Å; K186-A189 WeakPolarHBondContact O-CB 3.14Å; K186-A189 PolarHBondContact O-N 3.35Å; K186-A189 VanDerWaalsContact O-N 3.13Å; K186-L190 HydrophobicContact CD-CD1 4.37Å; K186-L190 HydrophobicContact CG-CD1 4.38Å; K186-L190 WeakPolarHBondContact O-CD1 2.99Å; K186-L190 PolarHBondContact O-N 3.33Å; K186-C474 HydrophobicContact CB-CB 3.93Å; K186-C474 HydrophobicContact CG-CB 4.33Å; K186-Q477 HydrophobicContact CD-CB 4.26Å; K186-V478 HydrophobicContact CB-CG2 4.14Å; K186-V478 HydrophobicContact CD-CG2 4.43Å |
| 187 | R | 98.6 | Very high | 97.2 | Very high | 26 Ų | 26 | 32.3 Ų | 32.3 | 10% | 0.098 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.3 | -43.5 | 173.5 | -178.5 | 177.6 | -66.8 | 138.4 | 3.7 | 111.5 | T170 V171 T183 V184 G185 A189 L190 W191 E298 | T170-R187 PolarHBondContact OG1-NH1 3.4Å; V171-R187 PolarHBondContact O-NH2 2.73Å; T183-R187 PolarHBondContact O-N 2.79Å; V184-R187 WeakPolarHBondContact O-CB 3.04Å; V184-R187 PolarHBondContact O-N 2.85Å; G185-R187 PolarHBondContact O-N 2.77Å; R187-A189 VanDerWaalsContact C-N 3.29Å; R187-A189 PolarHBondContact O-N 2.97Å; R187-L190 WeakPolarHBondContact O-CB 3.44Å; R187-L190 PolarHBondContact O-N 3.41Å; R187-L190 VanDerWaalsContact O-N 3.14Å; R187-W191 HydrophobicContact CG-CH2 4.49Å; R187-W191 HydrophobicContact CG-CZ2 3.74Å; R187-W191 PolarHBondContact O-N 2.96Å; R187-E298 IonicContact NH1-OE2 2.89Å |
| 188 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.6 | -30.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F161 A162 V184 G185 K186 L190 W191 A192 | F161-A188 HydrophobicContact CD1-CB 3.54Å; F161-A188 HydrophobicContact CE1-CB 4Å; A162-A188 HydrophobicContact CB-CB 3.98Å; V184-A188 PolarHBondContact O-N 3.36Å; G185-A188 PolarHBondContact O-N 3.33Å; K186-A188 VanDerWaalsContact C-N 3.33Å; K186-A188 PolarHBondContact O-N 3.27Å; A188-L190 VanDerWaalsContact C-N 3.3Å; A188-L190 PolarHBondContact O-N 3.5Å; A188-W191 HydrophobicContact CB-CE3 3.86Å; A188-W191 HydrophobicContact CB-CZ3 4.13Å; A188-W191 WeakPolarHBondContact O-CB 3.48Å; A188-W191 PolarHBondContact O-N 3.42Å; A188-A192 PolarHBondContact O-N 3.46Å |
| 189 | A | 98.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 25.8 Ų | 25.8 | 5% | 0.05 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.5 | -32.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G185 K186 R187 A192 Q193 V478 F481 | G185-A189 PolarHBondContact O-N 3.04Å; K186-A189 WeakPolarHBondContact O-CB 3.14Å; K186-A189 PolarHBondContact O-N 3.35Å; K186-A189 VanDerWaalsContact O-N 3.13Å; R187-A189 VanDerWaalsContact C-N 3.29Å; R187-A189 PolarHBondContact O-N 2.97Å; A189-A192 PolarHBondContact O-N 3.34Å; A189-Q193 WeakPolarHBondContact O-CB 3.38Å; A189-Q193 PolarHBondContact O-N 3.46Å; A189-V478 HydrophobicContact CB-CG2 4.25Å; A189-F481 HydrophobicContact CB-CD1 4.07Å |
| 190 | L | 98.5 | Very high | 97.9 | Very high | 79 Ų | 79 | 29 Ų | 29 | 41% | 0.414 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 171.3 | -83.2 | 66.7 | 0 | 0 | 0 | 110.8 | K186 R187 A188 A192 Q193 D194 | K186-L190 HydrophobicContact CD-CD1 4.37Å; K186-L190 HydrophobicContact CG-CD1 4.38Å; K186-L190 WeakPolarHBondContact O-CD1 2.99Å; K186-L190 PolarHBondContact O-N 3.33Å; R187-L190 WeakPolarHBondContact O-CB 3.44Å; R187-L190 PolarHBondContact O-N 3.41Å; R187-L190 VanDerWaalsContact O-N 3.14Å; A188-L190 VanDerWaalsContact C-N 3.3Å; A188-L190 PolarHBondContact O-N 3.5Å; L190-A192 PolarHBondContact O-N 3.16Å; L190-Q193 PolarHBondContact O-N 2.81Å; L190-D194 PolarHBondContact O-N 3.48Å |
| 191 | W | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.5 | -45 | 177.2 | -56.9 | -20.5 | 0 | 0 | 0 | 112.1 | L158 F161 R187 A188 Q193 L195 V286 D289 I290 L293 I299 L383 | L158-W191 HydrophobicContact CD1-CB 4.43Å; L158-W191 HydrophobicContact CD2-CB 4Å; L158-W191 HydrophobicContact CD2-CE3 3.81Å; F161-W191 HydrophobicContact CE1-CZ3 4.3Å; R187-W191 HydrophobicContact CG-CH2 4.49Å; R187-W191 HydrophobicContact CG-CZ2 3.74Å; R187-W191 PolarHBondContact O-N 2.96Å; A188-W191 HydrophobicContact CB-CE3 3.86Å; A188-W191 HydrophobicContact CB-CZ3 4.13Å; A188-W191 WeakPolarHBondContact O-CB 3.48Å; A188-W191 PolarHBondContact O-N 3.42Å; W191-Q193 VanDerWaalsContact C-N 3.32Å; W191-Q193 PolarHBondContact O-N 3.01Å; W191-L195 PolarHBondContact O-N 3.24Å; W191-V286 HydrophobicContact CB-CB 4.43Å; W191-V286 HydrophobicContact CB-CG1 4.12Å; W191-V286 HydrophobicContact CB-CG2 3.45Å; W191-V286 VanDerWaalsContact CB-CG2 3.45Å; W191-V286 HydrophobicContact CD2-CG1 3.71Å; W191-V286 HydrophobicContact CD2-CG2 4.42Å; W191-V286 HydrophobicContact CE3-CG1 3.97Å; W191-V286 HydrophobicContact CG-CB 4.23Å; W191-V286 HydrophobicContact CG-CG1 3.78Å; W191-V286 HydrophobicContact CG-CG2 3.6Å; W191-D289 HydrophobicContact CZ2-CB 3.99Å; W191-D289 PolarHBondContact NE1-OD2 2.95Å; W191-I290 HydrophobicContact CH2-CG1 4.42Å; W191-L293 HydrophobicContact CH2-CD1 4.01Å; W191-L293 HydrophobicContact CZ2-CD1 3.85Å; W191-I299 HydrophobicContact CH2-CD1 4.42Å; W191-L383 HydrophobicContact CZ3-CD1 4.49Å |
| 192 | A | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.2 | -34.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L155 L158 A188 A189 L190 L196 F481 L486 | L155-A192 HydrophobicContact CD2-CB 4.44Å; L155-A192 WeakPolarHBondContact CD2-O 3.39Å; L158-A192 HydrophobicContact CB-CB 4.02Å; L158-A192 HydrophobicContact CD1-CB 4.27Å; A188-A192 PolarHBondContact O-N 3.46Å; A189-A192 PolarHBondContact O-N 3.34Å; L190-A192 PolarHBondContact O-N 3.16Å; A192-L196 WeakPolarHBondContact O-CB 3.44Å; A192-L196 PolarHBondContact O-N 3.24Å; A192-F481 HydrophobicContact CB-CE1 3.75Å; A192-F481 HydrophobicContact CB-CZ 4.3Å; A192-L486 HydrophobicContact CB-CD1 4.28Å |
| 193 | Q | 98.7 | Very high | 98.4 | Very high | 95 Ų | 95 | 29.4 Ų | 29.4 | 44% | 0.444 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64.4 | -47.1 | 178.7 | -173.1 | 178.4 | -85.8 | 0 | 0 | 112.4 | A189 L190 W191 L195 L196 I197 F481 | A189-Q193 WeakPolarHBondContact O-CB 3.38Å; A189-Q193 PolarHBondContact O-N 3.46Å; L190-Q193 PolarHBondContact O-N 2.81Å; W191-Q193 VanDerWaalsContact C-N 3.32Å; W191-Q193 PolarHBondContact O-N 3.01Å; Q193-L195 VanDerWaalsContact C-N 3.35Å; Q193-L195 PolarHBondContact O-N 3.36Å; Q193-L196 WeakPolarHBondContact O-CB 3.26Å; Q193-L196 PolarHBondContact O-N 2.98Å; Q193-I197 HydrophobicContact CG-CD1 4.39Å; Q193-I197 WeakPolarHBondContact O-CG1 3.38Å; Q193-I197 PolarHBondContact O-N 2.93Å; Q193-F481 HydrophobicContact CB-CE2 4.13Å; Q193-F481 HydrophobicContact CB-CZ 3.95Å; Q193-F481 HydrophobicContact CG-CE2 4.25Å |
| 194 | D | 98.6 | Very high | 98.4 | Very high | 60 Ų | 60 | 36 Ų | 36 | 32% | 0.321 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 179.3 | -69.6 | -5.6 | 0 | 0 | 0 | 111.1 | L190 L196 I197 A198 A282 | L190-D194 PolarHBondContact O-N 3.48Å; D194-L196 VanDerWaalsContact C-N 3.31Å; D194-L196 PolarHBondContact O-N 2.78Å; D194-I197 PolarHBondContact O-N 3.23Å; D194-A198 PolarHBondContact O-N 2.87Å; D194-A198 VanDerWaalsContact O-N 3.1Å; D194-A282 HydrophobicContact CB-CB 3.95Å |
| 195 | L | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67 | -33.4 | 176.9 | -173.2 | 62.8 | 0 | 0 | 0 | 112.2 | V151 C154 L155 L158 W191 Q193 A198 F199 I279 A282 V283 F376 | V151-L195 HydrophobicContact CG1-CD1 3.92Å; V151-L195 HydrophobicContact CG1-CD2 4.36Å; V151-L195 HydrophobicContact CG1-CG 3.92Å; C154-L195 HydrophobicContact CB-CD2 3.75Å; L155-L195 HydrophobicContact CD2-CB 3.94Å; L155-L195 HydrophobicContact CD2-CD2 4Å; L155-L195 HydrophobicContact CD2-CG 3.98Å; L155-L195 HydrophobicContact CG-CD2 3.98Å; L155-L195 HydrophobicContact CG-CG 4.13Å; L158-L195 HydrophobicContact CD1-CD2 4.04Å; W191-L195 PolarHBondContact O-N 3.24Å; Q193-L195 VanDerWaalsContact C-N 3.35Å; Q193-L195 PolarHBondContact O-N 3.36Å; L195-A198 PolarHBondContact O-N 2.82Å; L195-F199 WeakPolarHBondContact O-CB 3.39Å; L195-F199 PolarHBondContact O-N 3Å; L195-I279 HydrophobicContact CD1-CG2 4.37Å; L195-A282 HydrophobicContact CB-CB 4.46Å; L195-A282 HydrophobicContact CD1-CB 4.47Å; L195-V283 HydrophobicContact CD1-CG2 4.43Å; L195-F376 HydrophobicContact CD2-CE1 4.07Å |
| 196 | L | 98.3 | Very high | 98.3 | Very high | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.8 | -46.9 | 174.6 | 169.8 | 57.7 | 0 | 0 | 0 | 111.1 | L155 A192 Q193 D194 A198 F199 E200 F481 K485 L486 I489 | L155-L196 HydrophobicContact CD2-CB 4.17Å; A192-L196 WeakPolarHBondContact O-CB 3.44Å; A192-L196 PolarHBondContact O-N 3.24Å; Q193-L196 WeakPolarHBondContact O-CB 3.26Å; Q193-L196 PolarHBondContact O-N 2.98Å; D194-L196 VanDerWaalsContact C-N 3.31Å; D194-L196 PolarHBondContact O-N 2.78Å; L196-A198 VanDerWaalsContact C-N 3.27Å; L196-A198 PolarHBondContact O-N 2.53Å; L196-F199 HydrophobicContact CD1-CD1 4.39Å; L196-F199 WeakPolarHBondContact O-CB 3.4Å; L196-F199 PolarHBondContact O-N 2.92Å; L196-F199 VanDerWaalsContact O-N 3.11Å; L196-E200 HydrophobicContact CD1-CG 4.13Å; L196-E200 WeakPolarHBondContact O-CG 3.4Å; L196-E200 PolarHBondContact O-N 2.98Å; L196-F481 HydrophobicContact CD2-CE2 4.04Å; L196-F481 HydrophobicContact CD2-CZ 4.05Å; L196-K485 HydrophobicContact CD2-CB 3.76Å; L196-L486 HydrophobicContact CD2-CD2 4.25Å; L196-I489 HydrophobicContact CD1-CD1 3.1Å; L196-I489 HydrophobicContact CD1-CG1 4.32Å; L196-I489 HydrophobicContact CG-CD1 4.4Å |
| 197 | I | 98.6 | Very high | 98.1 | Very high | 69 Ų | 69 | 41.4 Ų | 41.4 | 35% | 0.354 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 176.6 | -66.5 | 165.3 | 0 | 0 | 0 | 109.6 | Q193 D194 F199 E200 H201 M278 | Q193-I197 HydrophobicContact CG-CD1 4.39Å; Q193-I197 WeakPolarHBondContact O-CG1 3.38Å; Q193-I197 PolarHBondContact O-N 2.93Å; D194-I197 PolarHBondContact O-N 3.23Å; I197-F199 VanDerWaalsContact C-N 3.35Å; I197-F199 PolarHBondContact O-N 3.31Å; I197-E200 PolarHBondContact O-N 2.91Å; I197-H201 PolarHBondContact O-CD2 3.27Å; I197-H201 VanDerWaalsContact O-CD2 3.24Å; I197-H201 PolarHBondContact O-N 2.8Å; I197-H201 VanDerWaalsContact O-N 3.08Å; I197-M278 HydrophobicContact CG2-CE 3.77Å |
| 198 | A | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D194 L195 L196 H201 L202 M278 I279 | D194-A198 PolarHBondContact O-N 2.87Å; D194-A198 VanDerWaalsContact O-N 3.1Å; L195-A198 PolarHBondContact O-N 2.82Å; L196-A198 VanDerWaalsContact C-N 3.27Å; L196-A198 PolarHBondContact O-N 2.53Å; A198-H201 PolarHBondContact O-N 3.42Å; A198-L202 PolarHBondContact O-N 2.7Å; A198-M278 HydrophobicContact CB-CB 3.89Å; A198-I279 HydrophobicContact CB-CG1 3.79Å |
| 199 | F | 98.1 | Very high | 97.9 | Very high | 25 Ų | 25 | 43.7 Ų | 43.7 | 11% | 0.11 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.4 | -44.3 | 174.7 | 173.8 | -95.6 | 0 | 0 | 0 | 112.4 | L148 V151 K152 L155 L195 L196 I197 H201 L202 S203 I489 | L148-F199 HydrophobicContact CB-CE2 4.28Å; L148-F199 HydrophobicContact CD2-CD2 3.72Å; L148-F199 HydrophobicContact CD2-CE2 3.57Å; L148-F199 HydrophobicContact CD2-CZ 4.29Å; V151-F199 HydrophobicContact CB-CD2 4.03Å; V151-F199 HydrophobicContact CG1-CB 3.74Å; V151-F199 HydrophobicContact CG1-CD2 3.73Å; V151-F199 HydrophobicContact CG1-CG 4.18Å; K152-F199 HydrophobicContact CB-CE2 4.36Å; L155-F199 HydrophobicContact CD1-CB 4.04Å; L155-F199 HydrophobicContact CD1-CD2 4.44Å; L155-F199 HydrophobicContact CD1-CG 4.1Å; L195-F199 WeakPolarHBondContact O-CB 3.39Å; L195-F199 PolarHBondContact O-N 3Å; L196-F199 HydrophobicContact CD1-CD1 4.39Å; L196-F199 WeakPolarHBondContact O-CB 3.4Å; L196-F199 PolarHBondContact O-N 2.92Å; L196-F199 VanDerWaalsContact O-N 3.11Å; I197-F199 VanDerWaalsContact C-N 3.35Å; I197-F199 PolarHBondContact O-N 3.31Å; F199-H201 VanDerWaalsContact C-N 3.34Å; F199-L202 PolarHBondContact O-N 3.38Å; F199-S203 WeakPolarHBondContact O-CB 3.39Å; F199-S203 PolarHBondContact O-N 2.81Å; F199-S203 PolarHBondContact O-OG 3.18Å; F199-I489 HydrophobicContact CD1-CD1 4.44Å; F199-I489 HydrophobicContact CD1-CG2 4.35Å; F199-I489 HydrophobicContact CE1-CG1 4.42Å; F199-I489 HydrophobicContact CE1-CG2 3.6Å; F199-I489 HydrophobicContact CZ-CG2 3.72Å |
| 200 | E | 97.8 | Very high | 97.9 | Very high | 88 Ų | 88 | 46 Ų | 46 | 41% | 0.411 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.6 | -39.4 | 178.2 | -70.7 | 175.3 | 174.1 | 0 | 0 | 111.5 | L196 I197 S203 R204 | L196-E200 HydrophobicContact CD1-CG 4.13Å; L196-E200 WeakPolarHBondContact O-CG 3.4Å; L196-E200 PolarHBondContact O-N 2.98Å; I197-E200 PolarHBondContact O-N 2.91Å; E200-S203 PolarHBondContact O-N 2.73Å; E200-R204 WeakPolarHBondContact O-CB 3.31Å; E200-R204 PolarHBondContact O-N 2.72Å |
| 201 | H | 98.4 | Very high | 97.9 | Very high | 75 Ų | 75 | 42.3 Ų | 42.3 | 35% | 0.347 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.2 | -46.2 | 174.5 | -85.7 | -101.8 | 0 | 0 | 0 | 112.3 | I197 A198 F199 S203 R204 A205 S275 M278 | I197-H201 PolarHBondContact O-CD2 3.27Å; I197-H201 VanDerWaalsContact O-CD2 3.24Å; I197-H201 PolarHBondContact O-N 2.8Å; I197-H201 VanDerWaalsContact O-N 3.08Å; A198-H201 PolarHBondContact O-N 3.42Å; F199-H201 VanDerWaalsContact C-N 3.34Å; H201-S203 VanDerWaalsContact C-N 3.33Å; H201-S203 PolarHBondContact O-N 2.75Å; H201-R204 PolarHBondContact O-N 3.15Å; H201-A205 WeakPolarHBondContact O-CB 3.09Å; H201-A205 PolarHBondContact O-N 2.85Å; H201-S275 PolarHBondContact O-OG 3.19Å; H201-M278 HydrophobicContact CB-CE 4.19Å; H201-M278 HydrophobicContact CB-SD 3.82Å; H201-M278 VanDerWaalsContact CG-SD 3.54Å |
| 202 | L | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.2 | -40 | 176 | -176.5 | 62.5 | 0 | 0 | 0 | 111.7 | I144 L147 L148 A198 F199 R204 A205 R206 L276 I279 | I144-L202 HydrophobicContact CB-CD1 4.43Å; I144-L202 HydrophobicContact CG1-CD1 4.07Å; I144-L202 HydrophobicContact CG2-CD1 3.65Å; I144-L202 HydrophobicContact CG2-CD2 4.25Å; I144-L202 HydrophobicContact CG2-CG 3.73Å; L147-L202 HydrophobicContact CB-CD2 4Å; L148-L202 HydrophobicContact CD2-CB 4.05Å; L148-L202 HydrophobicContact CD2-CD2 3.83Å; L148-L202 HydrophobicContact CD2-CG 3.84Å; L148-L202 HydrophobicContact CG-CD2 4.02Å; L148-L202 HydrophobicContact CG-CG 4.17Å; A198-L202 PolarHBondContact O-N 2.7Å; F199-L202 PolarHBondContact O-N 3.38Å; L202-R204 VanDerWaalsContact C-N 3.32Å; L202-R204 PolarHBondContact O-N 2.81Å; L202-A205 PolarHBondContact O-N 2.91Å; L202-R206 WeakPolarHBondContact O-CB 3.16Å; L202-R206 PolarHBondContact O-N 2.85Å; L202-L276 HydrophobicContact CD1-CD2 3.96Å; L202-I279 HydrophobicContact CB-CD1 4.49Å; L202-I279 HydrophobicContact CD2-CD1 3.69Å |
| 203 | S | 97.4 | Very high | 97.9 | Very high | 37 Ų | 37 | 42.3 Ų | 42.3 | 26% | 0.259 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.8 | -41.7 | 175.6 | -61 | 0 | 0 | 0 | 0 | 111.4 | L148 F199 E200 H201 R206 S207 | L148-S203 VanDerWaalsContact CD2-OG 3.3Å; L148-S203 WeakPolarHBondContact CD2-OG 3.33Å; F199-S203 WeakPolarHBondContact O-CB 3.39Å; F199-S203 PolarHBondContact O-N 2.81Å; F199-S203 PolarHBondContact O-OG 3.18Å; E200-S203 PolarHBondContact O-N 2.73Å; H201-S203 VanDerWaalsContact C-N 3.33Å; H201-S203 PolarHBondContact O-N 2.75Å; S203-R206 WeakPolarHBondContact O-CB 3.38Å; S203-R206 PolarHBondContact O-N 3.36Å; S203-S207 PolarHBondContact O-N 3.06Å; S203-S207 PolarHBondContact O-OG 3.39Å |
| 204 | R | 97.7 | Very high | 97.8 | Very high | 140 Ų | 140 | 37.8 Ų | 37.8 | 53% | 0.528 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.7 | -49.8 | 174.8 | -174 | 175.7 | -66.5 | 109.6 | 1.7 | 111.2 | E200 H201 L202 R206 S207 S208 | E200-R204 WeakPolarHBondContact O-CB 3.31Å; E200-R204 PolarHBondContact O-N 2.72Å; H201-R204 PolarHBondContact O-N 3.15Å; L202-R204 VanDerWaalsContact C-N 3.32Å; L202-R204 PolarHBondContact O-N 2.81Å; R204-R206 PolarHBondContact O-N 2.7Å; R204-S207 WeakPolarHBondContact CA-OG 3.25Å; R204-S207 PolarHBondContact O-N 3.49Å; R204-S207 PolarHBondContact O-OG 3.36Å; R204-S208 WeakPolarHBondContact O-CB 3.36Å; R204-S208 PolarHBondContact O-N 2.94Å; R204-S208 PolarHBondContact O-OG 3.22Å; R204-S208 VanDerWaalsContact O-OG 3.1Å |
| 205 | A | 97.5 | Very high | 97.8 | Very high | 3 Ų | 3 | 35 Ų | 35 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.9 | -39.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | H201 L202 L209 | H201-A205 WeakPolarHBondContact O-CB 3.09Å; H201-A205 PolarHBondContact O-N 2.85Å; L202-A205 PolarHBondContact O-N 2.91Å; A205-L209 PolarHBondContact O-N 3.05Å |
| 206 | R | 97.2 | Very high | 97.8 | Very high | 82 Ų | 82 | 35 Ų | 35 | 31% | 0.309 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -57.7 | -57.4 | 170.7 | -160 | -58.8 | -162.8 | 144.7 | -1.6 | 111.1 | I144 D145 L148 L202 S203 R204 S208 L209 | I144-R206 HydrophobicContact CB-CG 4.16Å; I144-R206 HydrophobicContact CG2-CB 3.58Å; I144-R206 HydrophobicContact CG2-CG 3.58Å; D145-R206 WeakPolarHBondContact OD1-CG 3.49Å; D145-R206 IonicContact OD1-CZ 3.76Å; D145-R206 IonicContact OD1-NE 2.64Å; D145-R206 PolarHBondContact OD1-NE 2.89Å; D145-R206 IonicContact OD1-NH2 2.69Å; D145-R206 PolarHBondContact OD1-NH2 2.87Å; D145-R206 IonicContact OD2-CZ 3.97Å; D145-R206 IonicContact OD2-NE 3.11Å; D145-R206 IonicContact OD2-NH2 2.99Å; D145-R206 PolarHBondContact OD2-NH2 3.44Å; L148-R206 HydrophobicContact CD1-CB 4.27Å; L148-R206 HydrophobicContact CD1-CG 4.22Å; L202-R206 WeakPolarHBondContact O-CB 3.16Å; L202-R206 PolarHBondContact O-N 2.85Å; S203-R206 WeakPolarHBondContact O-CB 3.38Å; S203-R206 PolarHBondContact O-N 3.36Å; R204-R206 PolarHBondContact O-N 2.7Å; R206-S208 PolarHBondContact O-N 3.19Å; R206-L209 WeakPolarHBondContact O-CB 3.43Å; R206-L209 PolarHBondContact O-N 2.96Å |
| 207 | S | 95.7 | Very high | 97.7 | Very high | 74 Ų | 74 | 37.1 Ų | 37.1 | 52% | 0.517 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.4 | -22.1 | -174.7 | 63.6 | 0 | 0 | 0 | 0 | 114.1 | S203 R204 | S203-S207 PolarHBondContact O-N 3.06Å; S203-S207 PolarHBondContact O-OG 3.39Å; R204-S207 WeakPolarHBondContact CA-OG 3.25Å; R204-S207 PolarHBondContact O-N 3.49Å; R204-S207 PolarHBondContact O-OG 3.36Å |
| 208 | S | 96 | Very high | 97.7 | Very high | 68 Ų | 68 | 37.2 Ų | 37.2 | 48% | 0.476 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -1.2 | 179 | -57.1 | 0 | 0 | 0 | 0 | 113.2 | R204 R206 L210 | R204-S208 WeakPolarHBondContact O-CB 3.36Å; R204-S208 PolarHBondContact O-N 2.94Å; R204-S208 PolarHBondContact O-OG 3.22Å; R204-S208 VanDerWaalsContact O-OG 3.1Å; R206-S208 PolarHBondContact O-N 3.19Å; S208-L210 PolarHBondContact O-N 3.49Å |
| 209 | L | 97.2 | Very high | 97.7 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | trans | -73.6 | 118.2 | 177.2 | -165.4 | 70 | 0 | 0 | 0 | 109.7 | L137 M140 R141 A205 R206 F248 Q268 V272 | L137-L209 HydrophobicContact CD2-CD1 3.68Å; L137-L209 HydrophobicContact CD2-CD2 4.2Å; L137-L209 HydrophobicContact CD2-CG 3.89Å; M140-L209 HydrophobicContact CB-CD2 4.27Å; M140-L209 HydrophobicContact CE-CD1 4.43Å; R141-L209 HydrophobicContact CB-CD2 4.17Å; A205-L209 PolarHBondContact O-N 3.05Å; R206-L209 WeakPolarHBondContact O-CB 3.43Å; R206-L209 PolarHBondContact O-N 2.96Å; L209-F248 HydrophobicContact CG-CE1 4.46Å; L209-F248 WeakPolarHBondContact O-CE1 3.43Å; L209-Q268 HydrophobicContact CD1-CB 4.05Å; L209-V272 HydrophobicContact CD1-CG2 4.45Å | ||
| 210 | L | 98.4 | Very high | 97.7 | Very high | 56 Ų | 56 | 41.1 Ų | 41.1 | 29% | 0.293 | 23% | 0.229 | S | C | . | . | trans | -106.2 | 143.7 | -177.3 | -61.3 | 175.6 | 0 | 0 | 0 | 111.2 | L137 S208 E255 L257 Q268 | L137-L210 WeakPolarHBondContact CD1-O 3.14Å; S208-L210 PolarHBondContact O-N 3.49Å; L210-E255 HydrophobicContact CD2-CB 4.08Å; L210-L257 HydrophobicContact CB-CD2 4.14Å; L210-L257 HydrophobicContact CB-CG 3.94Å; L210-L257 HydrophobicContact CD1-CD2 3.84Å; L210-L257 HydrophobicContact CD1-CG 4.45Å; L210-Q268 PolarHBondContact O-NE2 3.03Å; L210-Q268 VanDerWaalsContact O-NE2 3.16Å; L210-Q268 PolarHBondContact O-OE1 3.21Å | ||
| 211 | F | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -69.5 | 141.7 | 176.1 | -156.2 | -125 | 0 | 0 | 0 | 111.7 | L40 N134 L138 G213 V242 S243 A246 F248 E255 K256 L257 | L40-F211 HydrophobicContact CD2-CZ 3.81Å; N134-F211 HydrophobicContact CB-CD2 4.39Å; N134-F211 HydrophobicContact CB-CE1 4.35Å; N134-F211 HydrophobicContact CB-CE2 3.48Å; N134-F211 VanDerWaalsContact CB-CE2 3.48Å; N134-F211 HydrophobicContact CB-CZ 3.47Å; N134-F211 VanDerWaalsContact CB-CZ 3.47Å; N134-F211 WeakPolarHBondContact OD1-CD2 3.46Å; N134-F211 WeakPolarHBondContact OD1-CE1 3.05Å; N134-F211 VanDerWaalsContact OD1-CE2 3.22Å; N134-F211 WeakPolarHBondContact OD1-CE2 3.11Å; N134-F211 VanDerWaalsContact OD1-CZ 3.23Å; N134-F211 WeakPolarHBondContact OD1-CZ 3.16Å; L138-F211 HydrophobicContact CG-CE2 4.44Å; F211-G213 VanDerWaalsContact CD1-N 3.35Å; F211-V242 HydrophobicContact CE1-CG2 4.44Å; F211-S243 WeakPolarHBondContact CD1-OG 3.32Å; F211-A246 HydrophobicContact CD2-CB 4.26Å; F211-A246 HydrophobicContact CE1-CB 3.96Å; F211-A246 HydrophobicContact CE2-CB 3.63Å; F211-A246 HydrophobicContact CZ-CB 3.44Å; F211-A246 VanDerWaalsContact CZ-CB 3.44Å; F211-F248 HydrophobicContact CB-CB 3.78Å; F211-F248 HydrophobicContact CB-CD1 3.95Å; F211-F248 HydrophobicContact CB-CD2 3.99Å; F211-F248 HydrophobicContact CB-CG 3.65Å; F211-F248 AromaticContact CD2-CD2 3.37Å; F211-F248 HydrophobicContact CD2-CD2 3.37Å; F211-F248 AromaticContact CD2-CE2 3.46Å; F211-F248 HydrophobicContact CD2-CE2 3.46Å; F211-F248 VanDerWaalsContact CD2-CE2 3.46Å; F211-F248 AromaticContact CD2-CG 3.97Å; F211-F248 HydrophobicContact CD2-CG 3.97Å; F211-F248 HydrophobicContact CD2-CZ 4.11Å; F211-F248 HydrophobicContact CE2-CD2 4.01Å; F211-F248 AromaticContact CE2-CE2 3.98Å; F211-F248 HydrophobicContact CE2-CE2 3.98Å; F211-F248 HydrophobicContact CG-CB 4.31Å; F211-F248 AromaticContact CG-CD2 3.89Å; F211-F248 HydrophobicContact CG-CD2 3.89Å; F211-F248 HydrophobicContact CG-CE2 4.36Å; F211-F248 HydrophobicContact CG-CG 4.07Å; F211-E255 PolarHBondContact N-O 3.48Å; F211-K256 HydrophobicContact CB-CB 4.25Å; F211-K256 CarbonylContact O-C 3.58Å; F211-K256 WeakPolarHBondContact O-CA 3.36Å; F211-L257 PolarHBondContact O-N 2.84Å |
| 212 | R | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | trans | -68.9 | -48.7 | 171.5 | -178.7 | -172.1 | 167.9 | -81.7 | 2 | 110.1 | N134 L137 K215 G216 T260 Q262 | N134-R212 VanDerWaalsContact OD1-CB 3.32Å; N134-R212 WeakPolarHBondContact OD1-CB 3.37Å; N134-R212 PolarHBondContact OD1-N 3.28Å; L137-R212 HydrophobicContact CD1-CB 4.14Å; R212-K215 HydrophobicContact CG-CG 4.3Å; R212-K215 WeakPolarHBondContact O-CE 3.27Å; R212-K215 WeakPolarHBondContact O-CG 3.16Å; R212-K215 PolarHBondContact O-NZ 3.09Å; R212-G216 PolarHBondContact NH2-O 3.39Å; R212-T260 HydrophobicContact CG-CG2 4.48Å; R212-Q262 PolarHBondContact NE-O 3.22Å; R212-Q262 PolarHBondContact NH2-O 3.45Å | ||
| 213 | G | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | 76.8 | -157.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | N134 F211 K215 D239 | N134-G213 PolarHBondContact ND2-O 2.82Å; N134-G213 PolarHBondContact OD1-N 3.26Å; F211-G213 VanDerWaalsContact CD1-N 3.35Å; G213-K215 PolarHBondContact O-N 3.12Å; G213-D239 VanDerWaalsContact CA-OD1 3.28Å; G213-D239 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 214 | A | 97.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -96.3 | 81.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L44 Y130 Q221 F224 L238 D239 V242 | L44-A214 HydrophobicContact CD1-CB 4.49Å; Y130-A214 HydrophobicContact CE2-CB 4.41Å; A214-Q221 WeakPolarHBondContact O-CG 3.48Å; A214-Q221 PolarHBondContact O-NE2 3.44Å; A214-F224 HydrophobicContact CB-CD2 4.39Å; A214-F224 HydrophobicContact CB-CE2 3.8Å; A214-F224 HydrophobicContact CB-CZ 3.9Å; A214-L238 HydrophobicContact CB-CD2 4.23Å; A214-L238 HydrophobicContact CB-CG 4.32Å; A214-D239 PolarHBondContact N-OD1 3.45Å; A214-V242 HydrophobicContact CB-CG2 4.29Å |
| 215 | K | 98.2 | Very high | 97.5 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | trans | -102.5 | -8.6 | -168.6 | -63.5 | -63 | -163 | -71.2 | 0 | 116.7 | R212 G213 G219 T220 Q221 D239 L257 T260 | R212-K215 HydrophobicContact CG-CG 4.3Å; R212-K215 WeakPolarHBondContact O-CE 3.27Å; R212-K215 WeakPolarHBondContact O-CG 3.16Å; R212-K215 PolarHBondContact O-NZ 3.09Å; G213-K215 PolarHBondContact O-N 3.12Å; K215-G219 CarbonylContact O-C 3.44Å; K215-G219 WeakPolarHBondContact O-CA 3.35Å; K215-G219 PolarHBondContact O-N 3.16Å; K215-T220 PolarHBondContact O-N 3.01Å; K215-Q221 HydrophobicContact CD-CG 4.29Å; K215-Q221 PolarHBondContact O-N 3.31Å; K215-D239 VanDerWaalsContact NZ-CG 3.31Å; K215-D239 IonicContact NZ-OD1 2.9Å; K215-D239 PolarHBondContact NZ-OD1 2.8Å; K215-D239 VanDerWaalsContact NZ-OD1 3.16Å; K215-D239 IonicContact NZ-OD2 3.23Å; K215-D239 PolarHBondContact NZ-OD2 3.43Å; K215-L257 WeakPolarHBondContact CE-O 3.46Å; K215-L257 PolarHBondContact NZ-O 3.12Å; K215-T260 WeakPolarHBondContact CB-OG1 3.25Å; K215-T260 HydrophobicContact CG-CG2 4.16Å; K215-T260 WeakPolarHBondContact CG-OG1 3.19Å | ||
| 216 | G | 97.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | trans | 73.1 | -167.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T127 R212 | T127-G216 WeakPolarHBondContact CG2-O 3.42Å; R212-G216 PolarHBondContact NH2-O 3.39Å | ||
| 217 | A | 97.5 | Very high | 97.3 | Very high | 51 Ų | 51 | 38.6 Ų | 38.6 | 42% | 0.421 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -74 | -31.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q262 | A217-Q262 WeakPolarHBondContact O-CB 3.46Å; A217-Q262 WeakPolarHBondContact O-CG 3.39Å; A217-Q262 PolarHBondContact O-NE2 2.74Å |
| 218 | T | 98.2 | Very high | 97.2 | Very high | 70 Ų | 70 | 35.5 Ų | 35.5 | 43% | 0.429 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -131 | 20.6 | -178.8 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | T220 G261 | T218-T220 VanDerWaalsContact C-N 3.28Å; T218-T220 PolarHBondContact O-N 2.61Å; T218-G261 CarbonylContact C-O 3.59Å |
| 219 | G | 98 | Very high | 97 | Very high | 15 Ų | 15 | 39.3 Ų | 39.3 | 16% | 0.155 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 86.4 | -11.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | K215 Q221 T260 G261 | K215-G219 CarbonylContact O-C 3.44Å; K215-G219 WeakPolarHBondContact O-CA 3.35Å; K215-G219 PolarHBondContact O-N 3.16Å; G219-Q221 VanDerWaalsContact C-N 3.32Å; G219-Q221 PolarHBondContact O-N 2.84Å; G219-T260 WeakPolarHBondContact CA-O 3.37Å; G219-G261 WeakPolarHBondContact CA-O 3.2Å; G219-G261 PolarHBondContact N-O 3.07Å |
| 220 | T | 98 | Very high | 96.8 | Very high | 93 Ų | 93 | 44.7 Ų | 44.7 | 57% | 0.571 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -80.5 | -7.4 | -173.8 | 63.6 | 0 | 0 | 0 | 0 | 114.9 | K215 T218 N222 | K215-T220 PolarHBondContact O-N 3.01Å; T218-T220 VanDerWaalsContact C-N 3.28Å; T218-T220 PolarHBondContact O-N 2.61Å; T220-N222 PolarHBondContact O-N 3.02Å |
| 221 | Q | 97.9 | Very high | 96.6 | Very high | 41 Ų | 41 | 44.6 Ų | 44.6 | 19% | 0.192 | 26% | 0.255 | C | S | . | . | trans | 58.2 | 16.3 | -176.5 | -58.1 | 176.9 | -58.8 | 0 | 0 | 115.2 | A214 K215 G219 S223 F224 L225 V235 | A214-Q221 WeakPolarHBondContact O-CG 3.48Å; A214-Q221 PolarHBondContact O-NE2 3.44Å; K215-Q221 HydrophobicContact CD-CG 4.29Å; K215-Q221 PolarHBondContact O-N 3.31Å; G219-Q221 VanDerWaalsContact C-N 3.32Å; G219-Q221 PolarHBondContact O-N 2.84Å; Q221-S223 VanDerWaalsContact C-N 3.3Å; Q221-S223 PolarHBondContact O-N 3.03Å; Q221-F224 HydrophobicContact CB-CD2 4.41Å; Q221-F224 PolarHBondContact O-N 3.24Å; Q221-L225 PolarHBondContact O-N 3.21Å; Q221-V235 HydrophobicContact CB-CG1 3.72Å; Q221-V235 HydrophobicContact CG-CG1 4.21Å | ||
| 222 | N | 98.1 | Very high | 96.4 | Very high | 91 Ų | 91 | 47.8 Ų | 47.8 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -54.8 | -40.6 | -173.8 | -173.6 | 54.6 | 0 | 0 | 0 | 113.8 | T220 F224 L225 I226 | T220-N222 PolarHBondContact O-N 3.02Å; N222-F224 VanDerWaalsContact C-N 3.35Å; N222-F224 PolarHBondContact O-N 3.36Å; N222-L225 WeakPolarHBondContact O-CB 3.31Å; N222-L225 PolarHBondContact O-N 3.46Å; N222-I226 WeakPolarHBondContact O-CG1 3.49Å; N222-I226 PolarHBondContact O-N 3.47Å |
| 223 | S | 97.4 | Very high | 96.1 | Very high | 40 Ų | 40 | 54.9 Ų | 54.9 | 28% | 0.28 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 176.8 | 49.3 | 0 | 0 | 0 | 0 | 112.7 | G125 Q221 L227 | G125-S223 VanDerWaalsContact O-CB 3.31Å; G125-S223 WeakPolarHBondContact O-CB 3.41Å; G125-S223 PolarHBondContact O-OG 3.08Å; Q221-S223 VanDerWaalsContact C-N 3.3Å; Q221-S223 PolarHBondContact O-N 3.03Å; S223-L227 WeakPolarHBondContact O-CG 3.44Å; S223-L227 PolarHBondContact O-N 3.01Å; S223-L227 VanDerWaalsContact O-N 3.15Å |
| 224 | F | 96.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -71.5 | -37 | 176.2 | -60.7 | -65.1 | 0 | 0 | 0 | 111.6 | L44 G125 A126 A214 Q221 N222 I226 L227 F228 V235 L238 | L44-F224 HydrophobicContact CD1-CE1 4.19Å; L44-F224 HydrophobicContact CD1-CZ 4.44Å; G125-F224 WeakPolarHBondContact O-CZ 3.49Å; A126-F224 HydrophobicContact CB-CZ 4.09Å; A214-F224 HydrophobicContact CB-CD2 4.39Å; A214-F224 HydrophobicContact CB-CE2 3.8Å; A214-F224 HydrophobicContact CB-CZ 3.9Å; Q221-F224 HydrophobicContact CB-CD2 4.41Å; Q221-F224 PolarHBondContact O-N 3.24Å; N222-F224 VanDerWaalsContact C-N 3.35Å; N222-F224 PolarHBondContact O-N 3.36Å; F224-I226 VanDerWaalsContact C-N 3.31Å; F224-I226 PolarHBondContact O-N 3.1Å; F224-L227 HydrophobicContact CD1-CD1 4.28Å; F224-L227 PolarHBondContact O-N 3Å; F224-L227 VanDerWaalsContact O-N 3.17Å; F224-F228 WeakPolarHBondContact O-CD2 3.46Å; F224-F228 PolarHBondContact O-N 3.49Å; F224-V235 HydrophobicContact CB-CG1 4.21Å; F224-V235 HydrophobicContact CB-CG2 4.18Å; F224-L238 HydrophobicContact CB-CD2 4.39Å; F224-L238 HydrophobicContact CD1-CD2 3.57Å; F224-L238 HydrophobicContact CE1-CD2 3.95Å; F224-L238 HydrophobicContact CG-CD2 3.98Å |
| 225 | L | 95.7 | Very high | 95.7 | Very high | 48 Ų | 48 | 57 Ų | 57 | 25% | 0.251 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.1 | -42 | 175.6 | -169.6 | 65.8 | 0 | 0 | 0 | 111.5 | Q221 N222 F228 N229 N230 V235 | Q221-L225 PolarHBondContact O-N 3.21Å; N222-L225 WeakPolarHBondContact O-CB 3.31Å; N222-L225 PolarHBondContact O-N 3.46Å; L225-F228 CarbonylContact O-C 3.35Å; L225-F228 PolarHBondContact O-N 3.33Å; L225-N229 PolarHBondContact O-N 3.33Å; L225-N230 HydrophobicContact CG-CB 4.47Å; L225-N230 WeakPolarHBondContact O-CA 3.23Å; L225-N230 PolarHBondContact O-N 3.24Å; L225-V235 HydrophobicContact CB-CG2 4.26Å; L225-V235 HydrophobicContact CD1-CG2 4.07Å |
| 226 | I | 95.5 | Very high | 95.5 | Very high | 104 Ų | 104 | 61.5 Ų | 61.5 | 53% | 0.533 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 172.7 | -67.6 | 164.2 | 0 | 0 | 0 | 111 | N222 F224 F228 N229 | N222-I226 WeakPolarHBondContact O-CG1 3.49Å; N222-I226 PolarHBondContact O-N 3.47Å; F224-I226 VanDerWaalsContact C-N 3.31Å; F224-I226 PolarHBondContact O-N 3.1Å; I226-F228 PolarHBondContact O-N 3Å; I226-N229 PolarHBondContact O-N 3.3Å |
| 227 | L | 94.2 | Very high | 95.3 | Very high | 48 Ų | 48 | 61.6 Ų | 61.6 | 25% | 0.251 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.1 | -33.8 | -179.9 | -72 | 172.4 | 0 | 0 | 0 | 112.8 | L70 L124 S223 F224 | L70-L227 HydrophobicContact CD1-CB 4.27Å; L70-L227 HydrophobicContact CD1-CD1 4.39Å; L70-L227 HydrophobicContact CD2-CB 4.23Å; L70-L227 WeakPolarHBondContact CD2-O 3.49Å; L124-L227 HydrophobicContact CD1-CD1 4.42Å; L124-L227 HydrophobicContact CD1-CD2 4.09Å; L124-L227 HydrophobicContact CD2-CD2 4.42Å; L124-L227 HydrophobicContact CG-CD1 3.92Å; L124-L227 HydrophobicContact CG-CD2 4.22Å; S223-L227 WeakPolarHBondContact O-CG 3.44Å; S223-L227 PolarHBondContact O-N 3.01Å; S223-L227 VanDerWaalsContact O-N 3.15Å; F224-L227 HydrophobicContact CD1-CD1 4.28Å; F224-L227 PolarHBondContact O-N 3Å; F224-L227 VanDerWaalsContact O-N 3.17Å |
| 228 | F | 93.6 | Very high | 95.2 | Very high | 8 Ų | 8 | 59.2 Ų | 59.2 | 4% | 0.035 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 26.8 | 179 | -63.1 | -64.4 | 0 | 0 | 0 | 113.8 | Q48 L70 F224 L225 I226 N230 N231 K234 V235 L238 | Q48-F228 HydrophobicContact CG-CZ 4.24Å; L70-F228 HydrophobicContact CD1-CE1 4.45Å; L70-F228 HydrophobicContact CD2-CD1 3.73Å; L70-F228 HydrophobicContact CD2-CE1 3.68Å; L70-F228 HydrophobicContact CD2-CZ 4.49Å; L70-F228 HydrophobicContact CG-CD1 4.31Å; L70-F228 HydrophobicContact CG-CE1 3.73Å; L70-F228 HydrophobicContact CG-CZ 4.3Å; F224-F228 WeakPolarHBondContact O-CD2 3.46Å; F224-F228 PolarHBondContact O-N 3.49Å; L225-F228 CarbonylContact O-C 3.35Å; L225-F228 PolarHBondContact O-N 3.33Å; I226-F228 PolarHBondContact O-N 3Å; F228-N230 VanDerWaalsContact C-N 3.3Å; F228-N230 PolarHBondContact O-N 3.35Å; F228-N231 HydrophobicContact CB-CB 4.46Å; F228-N231 WeakPolarHBondContact O-CB 3.15Å; F228-N231 PolarHBondContact O-N 2.81Å; F228-K234 HydrophobicContact CB-CB 4.02Å; F228-K234 HydrophobicContact CB-CD 4.36Å; F228-K234 HydrophobicContact CD1-CB 4.06Å; F228-K234 HydrophobicContact CD1-CD 4.06Å; F228-K234 HydrophobicContact CD2-CB 4.33Å; F228-K234 HydrophobicContact CG-CB 3.9Å; F228-K234 HydrophobicContact CG-CD 4.47Å; F228-V235 HydrophobicContact CD2-CG2 3.84Å; F228-L238 HydrophobicContact CE2-CB 4.2Å; F228-L238 HydrophobicContact CE2-CD2 3.72Å; F228-L238 HydrophobicContact CE2-CG 4.5Å; F228-L238 HydrophobicContact CZ-CB 4.45Å; F228-L238 HydrophobicContact CZ-CD2 4.2Å |
| 229 | N | 92.7 | Very high | 95.1 | Very high | 148 Ų | 148 | 56 Ų | 56 | 79% | 0.791 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 44.2 | 176.1 | -62.3 | -39.5 | 0 | 0 | 0 | 113.5 | L225 I226 N231 | L225-N229 PolarHBondContact O-N 3.33Å; I226-N229 PolarHBondContact O-N 3.3Å; N229-N231 VanDerWaalsContact C-N 3.25Å; N229-N231 PolarHBondContact O-N 3.49Å |
| 230 | N | 93.1 | Very high | 95 | Very high | 119 Ų | 119 | 58.1 Ų | 58.1 | 64% | 0.636 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 23.2 | -176.5 | -61 | -53.3 | 0 | 0 | 0 | 115.7 | L225 F228 A232 | L225-N230 HydrophobicContact CG-CB 4.47Å; L225-N230 WeakPolarHBondContact O-CA 3.23Å; L225-N230 PolarHBondContact O-N 3.24Å; F228-N230 VanDerWaalsContact C-N 3.3Å; F228-N230 PolarHBondContact O-N 3.35Å; N230-A232 PolarHBondContact O-N 2.89Å |
| 231 | N | 93.4 | Very high | 94.8 | Very high | 55 Ų | 55 | 54.8 Ų | 54.8 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | trans | -85.9 | 102.9 | 173.6 | -172 | -43 | 0 | 0 | 0 | 111.3 | F228 N229 E233 K234 V235 | F228-N231 HydrophobicContact CB-CB 4.46Å; F228-N231 WeakPolarHBondContact O-CB 3.15Å; F228-N231 PolarHBondContact O-N 2.81Å; N229-N231 VanDerWaalsContact C-N 3.25Å; N229-N231 PolarHBondContact O-N 3.49Å; N231-E233 PolarHBondContact O-N 3.45Å; N231-E233 WeakPolarHBondContact OD1-CB 3.49Å; N231-E233 PolarHBondContact OD1-N 3.16Å; N231-K234 HydrophobicContact CB-CB 4.28Å; N231-K234 HydrophobicContact CB-CD 4.2Å; N231-K234 HydrophobicContact CB-CG 4.23Å; N231-K234 PolarHBondContact O-N 2.96Å; N231-K234 PolarHBondContact OD1-N 3.4Å; N231-V235 WeakPolarHBondContact O-CG2 3.24Å; N231-V235 PolarHBondContact O-N 2.93Å | ||
| 232 | A | 94.2 | Very high | 94.8 | Very high | 67 Ų | 67 | 52.8 Ų | 52.8 | 55% | 0.554 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.9 | -35.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N230 K234 V235 E236 | N230-A232 PolarHBondContact O-N 2.89Å; A232-K234 VanDerWaalsContact C-N 3.33Å; A232-K234 PolarHBondContact O-N 2.84Å; A232-V235 PolarHBondContact O-N 2.81Å; A232-E236 PolarHBondContact O-N 2.94Å |
| 233 | E | 93.2 | Very high | 94.7 | Very high | 150 Ų | 150 | 48.5 Ų | 48.5 | 70% | 0.701 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64 | -39 | -180 | -61.6 | 177.9 | 174 | 0 | 0 | 111.5 | N231 E236 A237 | N231-E233 PolarHBondContact O-N 3.45Å; N231-E233 WeakPolarHBondContact OD1-CB 3.49Å; N231-E233 PolarHBondContact OD1-N 3.16Å; E233-E236 PolarHBondContact O-N 3.23Å; E233-A237 VanDerWaalsContact O-CB 3.27Å; E233-A237 WeakPolarHBondContact O-CB 3.24Å; E233-A237 PolarHBondContact O-N 3.33Å |
| 234 | K | 92.3 | Very high | 94.7 | Very high | 38 Ų | 38 | 47.8 Ų | 47.8 | 17% | 0.165 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 174.7 | -71.2 | -173.4 | -178.4 | -170.1 | 0 | 112.2 | E67 L68 F228 N231 A232 A237 L238 | E67-K234 PolarHBondContact O-NZ 3.25Å; L68-K234 WeakPolarHBondContact O-CD 3.45Å; L68-K234 WeakPolarHBondContact O-CE 3.4Å; L68-K234 PolarHBondContact O-NZ 3.06Å; F228-K234 HydrophobicContact CB-CB 4.02Å; F228-K234 HydrophobicContact CB-CD 4.36Å; F228-K234 HydrophobicContact CD1-CB 4.06Å; F228-K234 HydrophobicContact CD1-CD 4.06Å; F228-K234 HydrophobicContact CD2-CB 4.33Å; F228-K234 HydrophobicContact CG-CB 3.9Å; F228-K234 HydrophobicContact CG-CD 4.47Å; N231-K234 HydrophobicContact CB-CB 4.28Å; N231-K234 HydrophobicContact CB-CD 4.2Å; N231-K234 HydrophobicContact CB-CG 4.23Å; N231-K234 PolarHBondContact O-N 2.96Å; N231-K234 PolarHBondContact OD1-N 3.4Å; A232-K234 VanDerWaalsContact C-N 3.33Å; A232-K234 PolarHBondContact O-N 2.84Å; K234-A237 PolarHBondContact O-N 2.9Å; K234-L238 WeakPolarHBondContact O-CB 3.25Å; K234-L238 PolarHBondContact O-N 3.41Å |
| 235 | V | 94.6 | Very high | 94.7 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.036 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 175.2 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | Q221 F224 L225 F228 N231 A232 L238 D239 | Q221-V235 HydrophobicContact CB-CG1 3.72Å; Q221-V235 HydrophobicContact CG-CG1 4.21Å; F224-V235 HydrophobicContact CB-CG1 4.21Å; F224-V235 HydrophobicContact CB-CG2 4.18Å; L225-V235 HydrophobicContact CB-CG2 4.26Å; L225-V235 HydrophobicContact CD1-CG2 4.07Å; F228-V235 HydrophobicContact CD2-CG2 3.84Å; N231-V235 WeakPolarHBondContact O-CG2 3.24Å; N231-V235 PolarHBondContact O-N 2.93Å; A232-V235 PolarHBondContact O-N 2.81Å; V235-L238 WeakPolarHBondContact O-CB 3.27Å; V235-L238 PolarHBondContact O-N 2.95Å; V235-D239 PolarHBondContact O-N 3.38Å; V235-D239 VanDerWaalsContact O-N 3.15Å |
| 236 | E | 94.1 | Very high | 94.7 | Very high | 98 Ų | 98 | 49.2 Ų | 49.2 | 46% | 0.458 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 177.5 | -159.1 | -162.6 | 151.2 | 0 | 0 | 111 | A232 E233 L238 D239 R240 | A232-E236 PolarHBondContact O-N 2.94Å; E233-E236 PolarHBondContact O-N 3.23Å; E236-L238 PolarHBondContact O-N 3.14Å; E236-D239 PolarHBondContact O-N 3.05Å; E236-R240 VanDerWaalsContact CG-NH1 3.31Å; E236-R240 WeakPolarHBondContact O-CG 3.24Å; E236-R240 PolarHBondContact O-N 2.92Å; E236-R240 IonicContact OE1-CZ 3.42Å; E236-R240 IonicContact OE1-NH1 2.66Å; E236-R240 PolarHBondContact OE1-NH1 3.21Å; E236-R240 IonicContact OE2-NH1 3.86Å; E236-R240 PolarHBondContact OE2-NH1 2.95Å |
| 237 | A | 93 | Very high | 94.8 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -39.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V52 E233 K234 D239 R240 K241 | V52-A237 HydrophobicContact CB-CB 4.01Å; V52-A237 HydrophobicContact CG2-CB 3.55Å; E233-A237 VanDerWaalsContact O-CB 3.27Å; E233-A237 WeakPolarHBondContact O-CB 3.24Å; E233-A237 PolarHBondContact O-N 3.33Å; K234-A237 PolarHBondContact O-N 2.9Å; A237-D239 VanDerWaalsContact C-N 3.32Å; A237-D239 PolarHBondContact O-N 3Å; A237-R240 PolarHBondContact O-N 3.01Å; A237-K241 WeakPolarHBondContact O-CB 2.97Å; A237-K241 PolarHBondContact O-N 3.35Å |
| 238 | L | 95 | Very high | 94.9 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54 | -51.1 | 171.5 | 169.7 | 64.3 | 0 | 0 | 0 | 110.3 | L44 A47 Q48 A214 F224 F228 K234 V235 E236 K241 V242 | L44-L238 HydrophobicContact CD1-CD1 4.17Å; L44-L238 HydrophobicContact CD1-CD2 4.43Å; A47-L238 HydrophobicContact CB-CD1 3.46Å; A47-L238 VanDerWaalsContact CB-CD1 3.46Å; Q48-L238 HydrophobicContact CG-CD1 3.9Å; Q48-L238 HydrophobicContact CG-CD2 4.31Å; A214-L238 HydrophobicContact CB-CD2 4.23Å; A214-L238 HydrophobicContact CB-CG 4.32Å; F224-L238 HydrophobicContact CB-CD2 4.39Å; F224-L238 HydrophobicContact CD1-CD2 3.57Å; F224-L238 HydrophobicContact CE1-CD2 3.95Å; F224-L238 HydrophobicContact CG-CD2 3.98Å; F228-L238 HydrophobicContact CE2-CB 4.2Å; F228-L238 HydrophobicContact CE2-CD2 3.72Å; F228-L238 HydrophobicContact CE2-CG 4.5Å; F228-L238 HydrophobicContact CZ-CB 4.45Å; F228-L238 HydrophobicContact CZ-CD2 4.2Å; K234-L238 WeakPolarHBondContact O-CB 3.25Å; K234-L238 PolarHBondContact O-N 3.41Å; V235-L238 WeakPolarHBondContact O-CB 3.27Å; V235-L238 PolarHBondContact O-N 2.95Å; E236-L238 PolarHBondContact O-N 3.14Å; L238-K241 PolarHBondContact O-N 2.91Å; L238-V242 HydrophobicContact CD1-CG1 4.1Å; L238-V242 WeakPolarHBondContact O-CG2 3.3Å; L238-V242 PolarHBondContact O-N 2.73Å |
| 239 | D | 96.2 | Very high | 95 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.011 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.5 | -40.3 | -177.6 | -165.7 | 41.6 | 0 | 0 | 0 | 112 | G213 A214 K215 V235 E236 A237 V242 S243 K256 | G213-D239 VanDerWaalsContact CA-OD1 3.28Å; G213-D239 WeakPolarHBondContact CA-OD1 3.49Å; A214-D239 PolarHBondContact N-OD1 3.45Å; K215-D239 VanDerWaalsContact NZ-CG 3.31Å; K215-D239 IonicContact NZ-OD1 2.9Å; K215-D239 PolarHBondContact NZ-OD1 2.8Å; K215-D239 VanDerWaalsContact NZ-OD1 3.16Å; K215-D239 IonicContact NZ-OD2 3.23Å; K215-D239 PolarHBondContact NZ-OD2 3.43Å; V235-D239 PolarHBondContact O-N 3.38Å; V235-D239 VanDerWaalsContact O-N 3.15Å; E236-D239 PolarHBondContact O-N 3.05Å; A237-D239 VanDerWaalsContact C-N 3.32Å; A237-D239 PolarHBondContact O-N 3Å; D239-V242 WeakPolarHBondContact O-CG2 3.28Å; D239-S243 WeakPolarHBondContact O-CB 3.46Å; D239-S243 PolarHBondContact O-N 3.42Å; D239-S243 PolarHBondContact O-OG 3.44Å; D239-S243 VanDerWaalsContact O-OG 3.1Å; D239-K256 WeakPolarHBondContact OD2-CD 3.2Å; D239-K256 VanDerWaalsContact OD2-CE 3.31Å; D239-K256 WeakPolarHBondContact OD2-CE 3.32Å; D239-K256 IonicContact OD2-NZ 2.73Å; D239-K256 PolarHBondContact OD2-NZ 2.83Å |
| 240 | R | 95.5 | Very high | 95.1 | Very high | 61 Ų | 61 | 40.6 Ų | 40.6 | 23% | 0.23 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.8 | -44.9 | 173.7 | -64.1 | -165.2 | -57.8 | -94.7 | -5.8 | 112 | E236 A237 S243 A244 E251 P254 | E236-R240 VanDerWaalsContact CG-NH1 3.31Å; E236-R240 WeakPolarHBondContact O-CG 3.24Å; E236-R240 PolarHBondContact O-N 2.92Å; E236-R240 IonicContact OE1-CZ 3.42Å; E236-R240 IonicContact OE1-NH1 2.66Å; E236-R240 PolarHBondContact OE1-NH1 3.21Å; E236-R240 IonicContact OE2-NH1 3.86Å; E236-R240 PolarHBondContact OE2-NH1 2.95Å; A237-R240 PolarHBondContact O-N 3.01Å; R240-S243 WeakPolarHBondContact O-CB 3.25Å; R240-S243 PolarHBondContact O-N 3.45Å; R240-A244 WeakPolarHBondContact O-CB 3.45Å; R240-A244 PolarHBondContact O-N 3.48Å; R240-E251 VanDerWaalsContact CD-O 3.28Å; R240-E251 WeakPolarHBondContact CD-O 3.48Å; R240-P254 HydrophobicContact CG-CB 4.39Å; R240-P254 HydrophobicContact CG-CG 3.95Å |
| 241 | K | 95 | Very high | 94.9 | Very high | 22 Ų | 22 | 38.6 Ų | 38.6 | 10% | 0.096 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.9 | -41.9 | -177.8 | -178.6 | 167.6 | -80.6 | 175.4 | 0 | 112.6 | A47 A237 L238 S243 A244 K245 E251 | A47-K241 HydrophobicContact CB-CB 4.1Å; A47-K241 HydrophobicContact CB-CD 3.82Å; A47-K241 HydrophobicContact CB-CG 3.82Å; A237-K241 WeakPolarHBondContact O-CB 2.97Å; A237-K241 PolarHBondContact O-N 3.35Å; L238-K241 PolarHBondContact O-N 2.91Å; K241-S243 VanDerWaalsContact C-N 3.34Å; K241-A244 PolarHBondContact O-N 3.41Å; K241-K245 HydrophobicContact CG-CD 4.2Å; K241-K245 WeakPolarHBondContact O-CB 3.43Å; K241-K245 VanDerWaalsContact O-CG 3.31Å; K241-K245 WeakPolarHBondContact O-CG 3.35Å; K241-K245 PolarHBondContact O-N 3Å; K241-E251 WeakPolarHBondContact CE-OE1 3.21Å; K241-E251 WeakPolarHBondContact CE-OE2 3.45Å |
| 242 | V | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.7 | -36.4 | 175.9 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | L44 A47 F211 A214 L238 D239 A246 | L44-V242 HydrophobicContact CD1-CG1 4.44Å; A47-V242 HydrophobicContact CB-CG1 3.7Å; F211-V242 HydrophobicContact CE1-CG2 4.44Å; A214-V242 HydrophobicContact CB-CG2 4.29Å; L238-V242 HydrophobicContact CD1-CG1 4.1Å; L238-V242 WeakPolarHBondContact O-CG2 3.3Å; L238-V242 PolarHBondContact O-N 2.73Å; D239-V242 WeakPolarHBondContact O-CG2 3.28Å; V242-A246 WeakPolarHBondContact O-CB 3.43Å; V242-A246 PolarHBondContact O-N 3.34Å |
| 243 | S | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -47.6 | 173.2 | -70.1 | 0 | 0 | 0 | 0 | 112.3 | F211 D239 R240 K241 K245 A246 G247 F248 K256 | F211-S243 WeakPolarHBondContact CD1-OG 3.32Å; D239-S243 WeakPolarHBondContact O-CB 3.46Å; D239-S243 PolarHBondContact O-N 3.42Å; D239-S243 PolarHBondContact O-OG 3.44Å; D239-S243 VanDerWaalsContact O-OG 3.1Å; R240-S243 WeakPolarHBondContact O-CB 3.25Å; R240-S243 PolarHBondContact O-N 3.45Å; K241-S243 VanDerWaalsContact C-N 3.34Å; S243-K245 PolarHBondContact O-N 3.42Å; S243-A246 CarbonylContact O-C 3.58Å; S243-A246 PolarHBondContact O-N 3.23Å; S243-G247 PolarHBondContact O-N 2.76Å; S243-F248 PolarHBondContact O-N 3.08Å; S243-K256 WeakPolarHBondContact OG-CB 3.45Å; S243-K256 WeakPolarHBondContact OG-CD 3.46Å |
| 244 | A | 96.3 | Very high | 94.7 | Very high | 25 Ų | 25 | 41.7 Ų | 41.7 | 21% | 0.207 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.3 | -41.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R240 K241 A246 G247 E251 | R240-A244 WeakPolarHBondContact O-CB 3.45Å; R240-A244 PolarHBondContact O-N 3.48Å; K241-A244 PolarHBondContact O-N 3.41Å; A244-A246 VanDerWaalsContact C-N 3.29Å; A244-A246 PolarHBondContact O-N 3.26Å; A244-G247 WeakPolarHBondContact O-CA 3.44Å; A244-G247 PolarHBondContact O-N 3.38Å; A244-E251 HydrophobicContact CB-CB 4.47Å; A244-E251 HydrophobicContact CB-CG 3.59Å |
| 245 | K | 96.6 | Very high | 94.9 | Very high | 76 Ų | 76 | 43.8 Ų | 43.8 | 33% | 0.33 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.5 | -36.3 | 173.8 | -77.6 | 176.6 | 173.6 | -71.5 | 0 | 112.7 | W43 E46 K241 S243 G247 | W43-K245 HydrophobicContact CB-CB 4.24Å; W43-K245 HydrophobicContact CB-CD 3.89Å; W43-K245 HydrophobicContact CD2-CB 3.91Å; W43-K245 HydrophobicContact CE3-CB 4.47Å; W43-K245 HydrophobicContact CG-CB 3.79Å; W43-K245 HydrophobicContact CG-CD 3.95Å; W43-K245 HydrophobicContact CG-CG 4.42Å; W43-K245 WeakPolarHBondContact CZ2-O 3.46Å; E46-K245 WeakPolarHBondContact OE2-CE 3.46Å; E46-K245 IonicContact OE2-NZ 3.26Å; E46-K245 PolarHBondContact OE2-NZ 3.42Å; K241-K245 HydrophobicContact CG-CD 4.2Å; K241-K245 WeakPolarHBondContact O-CB 3.43Å; K241-K245 VanDerWaalsContact O-CG 3.31Å; K241-K245 WeakPolarHBondContact O-CG 3.35Å; K241-K245 PolarHBondContact O-N 3Å; S243-K245 PolarHBondContact O-N 3.42Å; K245-G247 PolarHBondContact O-N 2.96Å |
| 246 | A | 97.3 | Very high | 95 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.033 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | W43 L138 R141 F211 V242 S243 A244 F248 | W43-A246 HydrophobicContact CE3-CB 4.26Å; W43-A246 HydrophobicContact CH2-CB 4.49Å; W43-A246 HydrophobicContact CZ3-CB 3.8Å; L138-A246 HydrophobicContact CD2-CB 4.26Å; R141-A246 PolarHBondContact NH2-O 3.37Å; F211-A246 HydrophobicContact CD2-CB 4.26Å; F211-A246 HydrophobicContact CE1-CB 3.96Å; F211-A246 HydrophobicContact CE2-CB 3.63Å; F211-A246 HydrophobicContact CZ-CB 3.44Å; F211-A246 VanDerWaalsContact CZ-CB 3.44Å; V242-A246 WeakPolarHBondContact O-CB 3.43Å; V242-A246 PolarHBondContact O-N 3.34Å; S243-A246 CarbonylContact O-C 3.58Å; S243-A246 PolarHBondContact O-N 3.23Å; A244-A246 VanDerWaalsContact C-N 3.29Å; A244-A246 PolarHBondContact O-N 3.26Å; A246-F248 VanDerWaalsContact C-N 3.33Å; A246-F248 HydrophobicContact CB-CD2 4.01Å |
| 247 | G | 96.4 | Very high | 95.2 | Very high | 43 Ų | 43 | 41.3 Ų | 41.3 | 44% | 0.443 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 19.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R141 S243 A244 K245 | R141-G247 PolarHBondContact NH1-O 3.28Å; S243-G247 PolarHBondContact O-N 2.76Å; A244-G247 WeakPolarHBondContact O-CA 3.44Å; A244-G247 PolarHBondContact O-N 3.38Å; K245-G247 PolarHBondContact O-N 2.96Å |
| 248 | F | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -94.4 | 83.6 | 173.9 | -79.9 | -94.4 | 0 | 0 | 0 | 108.9 | L137 L138 R141 L209 F211 S243 A246 E255 | L137-F248 HydrophobicContact CB-CZ 4.13Å; L138-F248 HydrophobicContact CD2-CE2 3.91Å; L138-F248 HydrophobicContact CG-CE2 4.34Å; R141-F248 HydrophobicContact CB-CZ 4.43Å; R141-F248 VanDerWaalsContact NH1-CG 3.33Å; L209-F248 HydrophobicContact CG-CE1 4.46Å; L209-F248 WeakPolarHBondContact O-CE1 3.43Å; F211-F248 HydrophobicContact CB-CB 3.78Å; F211-F248 HydrophobicContact CB-CD1 3.95Å; F211-F248 HydrophobicContact CB-CD2 3.99Å; F211-F248 HydrophobicContact CB-CG 3.65Å; F211-F248 AromaticContact CD2-CD2 3.37Å; F211-F248 HydrophobicContact CD2-CD2 3.37Å; F211-F248 AromaticContact CD2-CE2 3.46Å; F211-F248 HydrophobicContact CD2-CE2 3.46Å; F211-F248 VanDerWaalsContact CD2-CE2 3.46Å; F211-F248 AromaticContact CD2-CG 3.97Å; F211-F248 HydrophobicContact CD2-CG 3.97Å; F211-F248 HydrophobicContact CD2-CZ 4.11Å; F211-F248 HydrophobicContact CE2-CD2 4.01Å; F211-F248 AromaticContact CE2-CE2 3.98Å; F211-F248 HydrophobicContact CE2-CE2 3.98Å; F211-F248 HydrophobicContact CG-CB 4.31Å; F211-F248 AromaticContact CG-CD2 3.89Å; F211-F248 HydrophobicContact CG-CD2 3.89Å; F211-F248 HydrophobicContact CG-CE2 4.36Å; F211-F248 HydrophobicContact CG-CG 4.07Å; S243-F248 PolarHBondContact O-N 3.08Å; A246-F248 VanDerWaalsContact C-N 3.33Å; A246-F248 HydrophobicContact CB-CD2 4.01Å; F248-E255 HydrophobicContact CB-CB 4.13Å; F248-E255 PolarHBondContact O-N 2.86Å |
| 249 | G | 94.8 | Very high | 95.5 | Very high | 27 Ų | 27 | 54.8 Ų | 54.8 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | 76.5 | -169.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | M253 E255 | G249-M253 VanDerWaalsContact CA-O 3.28Å; G249-M253 WeakPolarHBondContact CA-O 3.15Å; G249-E255 PolarHBondContact N-OE2 2.65Å |
| 250 | S | 93.8 | Very high | 95.6 | Very high | 56 Ų | 56 | 55.7 Ų | 55.7 | 39% | 0.392 | 30% | 0.304 | S | S | . | . | trans | -101.6 | 173.1 | 171.4 | 68.5 | 0 | 0 | 0 | 0 | 110.8 | D252 M253 P254 | S250-D252 PolarHBondContact O-N 3.46Å; S250-D252 PolarHBondContact OG-N 3.03Å; S250-M253 PolarHBondContact N-O 2.68Å; S250-M253 VanDerWaalsContact N-O 3.07Å; S250-M253 CarbonylContact O-C 3.58Å; S250-M253 PolarHBondContact O-N 2.85Å; S250-M253 PolarHBondContact OG-N 2.9Å; S250-P254 VanDerWaalsContact O-CA 3.26Å; S250-P254 WeakPolarHBondContact O-CA 3.36Å; S250-P254 VanDerWaalsContact O-N 3.07Å | ||
| 251 | E | 89.7 | Confident | 95.7 | Very high | 77 Ų | 77 | 53.8 Ų | 53.8 | 36% | 0.36 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -62.6 | -30.3 | 173 | -68.8 | -168 | -143.4 | 0 | 0 | 112.1 | R240 K241 A244 | R240-E251 VanDerWaalsContact CD-O 3.28Å; R240-E251 WeakPolarHBondContact CD-O 3.48Å; K241-E251 WeakPolarHBondContact CE-OE1 3.21Å; K241-E251 WeakPolarHBondContact CE-OE2 3.45Å; A244-E251 HydrophobicContact CB-CB 4.47Å; A244-E251 HydrophobicContact CB-CG 3.59Å |
| 252 | D | 92.1 | Very high | 95.9 | Very high | 150 Ų | 150 | 55.1 Ų | 55.1 | 80% | 0.802 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -81.1 | -29.6 | 177.6 | -59.4 | -41.8 | 0 | 0 | 0 | 112.9 | S250 | S250-D252 PolarHBondContact O-N 3.46Å; S250-D252 PolarHBondContact OG-N 3.03Å |
| 253 | M | 92.9 | Very high | 96 | Very high | 148 Ų | 148 | 55.6 Ų | 55.6 | 73% | 0.729 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -133.1 | 70.7 | -178.7 | -69.6 | -70.8 | -79.3 | 0 | 0 | 109.9 | G249 S250 | G249-M253 VanDerWaalsContact CA-O 3.28Å; G249-M253 WeakPolarHBondContact CA-O 3.15Å; S250-M253 PolarHBondContact N-O 2.68Å; S250-M253 VanDerWaalsContact N-O 3.07Å; S250-M253 CarbonylContact O-C 3.58Å; S250-M253 PolarHBondContact O-N 2.85Å; S250-M253 PolarHBondContact OG-N 2.9Å |
| 254 | P | 91 | Very high | 96 | Very high | 39 Ų | 39 | 55.6 Ų | 55.6 | 25% | 0.253 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -76.6 | 131.8 | -175.6 | 31.3 | -37.3 | 0 | 0 | 0 | 112 | R240 S250 K256 | R240-P254 HydrophobicContact CG-CB 4.39Å; R240-P254 HydrophobicContact CG-CG 3.95Å; S250-P254 VanDerWaalsContact O-CA 3.26Å; S250-P254 WeakPolarHBondContact O-CA 3.36Å; S250-P254 VanDerWaalsContact O-N 3.07Å; P254-K256 VanDerWaalsContact C-N 3.32Å; P254-K256 HydrophobicContact CB-CD 4Å; P254-K256 HydrophobicContact CB-CG 4.13Å; P254-K256 HydrophobicContact CG-CD 4.34Å; P254-K256 HydrophobicContact CG-CG 4.44Å; P254-K256 PolarHBondContact O-N 2.9Å; P254-K256 VanDerWaalsContact O-N 3.13Å |
| 255 | E | 97.1 | Very high | 96.1 | Very high | 82 Ų | 82 | 57.1 Ų | 57.1 | 38% | 0.383 | 32% | 0.319 | S | S | . | . | trans | -89 | 68.1 | 175.4 | -64.2 | 171.5 | 169.7 | 0 | 0 | 110 | L210 F211 F248 G249 | L210-E255 HydrophobicContact CD2-CB 4.08Å; F211-E255 PolarHBondContact N-O 3.48Å; F248-E255 HydrophobicContact CB-CB 4.13Å; F248-E255 PolarHBondContact O-N 2.86Å; G249-E255 PolarHBondContact N-OE2 2.65Å | ||
| 256 | K | 97.1 | Very high | 96.2 | Very high | 29 Ų | 29 | 53.6 Ų | 53.6 | 13% | 0.126 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -127.9 | 152.4 | -175.3 | 72.1 | -173.7 | 179.2 | 74.8 | 0 | 113.1 | F211 D239 S243 P254 I258 | F211-K256 HydrophobicContact CB-CB 4.25Å; F211-K256 CarbonylContact O-C 3.58Å; F211-K256 WeakPolarHBondContact O-CA 3.36Å; D239-K256 WeakPolarHBondContact OD2-CD 3.2Å; D239-K256 VanDerWaalsContact OD2-CE 3.31Å; D239-K256 WeakPolarHBondContact OD2-CE 3.32Å; D239-K256 IonicContact OD2-NZ 2.73Å; D239-K256 PolarHBondContact OD2-NZ 2.83Å; S243-K256 WeakPolarHBondContact OG-CB 3.45Å; S243-K256 WeakPolarHBondContact OG-CD 3.46Å; P254-K256 VanDerWaalsContact C-N 3.32Å; P254-K256 HydrophobicContact CB-CD 4Å; P254-K256 HydrophobicContact CB-CG 4.13Å; P254-K256 HydrophobicContact CG-CD 4.34Å; P254-K256 HydrophobicContact CG-CG 4.44Å; P254-K256 PolarHBondContact O-N 2.9Å; P254-K256 VanDerWaalsContact O-N 3.13Å; K256-I258 PolarHBondContact O-N 2.99Å |
| 257 | L | 97.7 | Very high | 96.2 | Very high | 23 Ų | 23 | 58.2 Ų | 58.2 | 12% | 0.12 | 33% | 0.326 | C | S | . | . | trans | -66.1 | 131.4 | 169.7 | -70.1 | 169.1 | 0 | 0 | 0 | 109.6 | L210 F211 K215 T260 | L210-L257 HydrophobicContact CB-CD2 4.14Å; L210-L257 HydrophobicContact CB-CG 3.94Å; L210-L257 HydrophobicContact CD1-CD2 3.84Å; L210-L257 HydrophobicContact CD1-CG 4.45Å; F211-L257 PolarHBondContact O-N 2.84Å; K215-L257 WeakPolarHBondContact CE-O 3.46Å; K215-L257 PolarHBondContact NZ-O 3.12Å; L257-T260 HydrophobicContact CB-CG2 3.62Å; L257-T260 HydrophobicContact CD1-CG2 3.91Å; L257-T260 HydrophobicContact CG-CG2 4.4Å | ||
| 258 | I | 96.9 | Very high | 96.3 | Very high | 141 Ų | 141 | 57 Ų | 57 | 72% | 0.723 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -80.8 | -46.7 | 171.5 | -61 | 174.7 | 0 | 0 | 0 | 109.4 | K256 | K256-I258 PolarHBondContact O-N 2.99Š|
| 259 | I | 97.8 | Very high | 96.3 | Very high | 146 Ų | 146 | 57.1 Ų | 57.1 | 75% | 0.749 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -108.2 | 126.5 | -178 | -54.6 | -59.7 | 0 | 0 | 0 | 109.5 | ||
| 260 | T | 98.4 | Very high | 96.5 | Very high | 21 Ų | 21 | 55.9 Ų | 55.9 | 13% | 0.129 | 30% | 0.297 | C | S | . | . | trans | -142.5 | 157.2 | 173.7 | 66 | 0 | 0 | 0 | 0 | 109.4 | R212 K215 G219 L257 T263 | R212-T260 HydrophobicContact CG-CG2 4.48Å; K215-T260 WeakPolarHBondContact CB-OG1 3.25Å; K215-T260 HydrophobicContact CG-CG2 4.16Å; K215-T260 WeakPolarHBondContact CG-OG1 3.19Å; G219-T260 WeakPolarHBondContact CA-O 3.37Å; L257-T260 HydrophobicContact CB-CG2 3.62Å; L257-T260 HydrophobicContact CD1-CG2 3.91Å; L257-T260 HydrophobicContact CG-CG2 4.4Å; T260-T263 WeakPolarHBondContact CB-O 3.47Å | ||
| 261 | G | 98.1 | Very high | 96.7 | Very high | 21 Ų | 21 | 56 Ų | 56 | 22% | 0.216 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -81.4 | -131.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | T218 G219 T263 E349 | T218-G261 CarbonylContact C-O 3.59Å; G219-G261 WeakPolarHBondContact CA-O 3.2Å; G219-G261 PolarHBondContact N-O 3.07Å; G261-T263 VanDerWaalsContact C-N 3.34Å; G261-E349 WeakPolarHBondContact CA-O 3.47Å |
| 262 | Q | 98.5 | Very high | 97.1 | Very high | 50 Ų | 50 | 52.3 Ų | 52.3 | 23% | 0.234 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -72 | -29.4 | 170.4 | -173.9 | 169.4 | 102.1 | 0 | 0 | 112.3 | A129 R212 A217 E349 R350 | A129-Q262 HydrophobicContact CB-CG 4.14Å; A129-Q262 VanDerWaalsContact CB-O 3.25Å; A129-Q262 WeakPolarHBondContact CB-O 3.34Å; R212-Q262 PolarHBondContact NE-O 3.22Å; R212-Q262 PolarHBondContact NH2-O 3.45Å; A217-Q262 WeakPolarHBondContact O-CB 3.46Å; A217-Q262 WeakPolarHBondContact O-CG 3.39Å; A217-Q262 PolarHBondContact O-NE2 2.74Å; Q262-E349 PolarHBondContact N-O 2.82Å; Q262-R350 HydrophobicContact CB-CB 3.79Å |
| 263 | T | 98.6 | Very high | 97.4 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 6% | 0.055 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -117.7 | 169.2 | -173.1 | 49.8 | 0 | 0 | 0 | 0 | 111.2 | A129 D133 T260 G261 R350 | A129-T263 HydrophobicContact CB-CG2 4.45Å; D133-T263 WeakPolarHBondContact OD2-CA 3.18Å; D133-T263 WeakPolarHBondContact OD2-CB 3.49Å; D133-T263 WeakPolarHBondContact OD2-CG2 3.34Å; T260-T263 WeakPolarHBondContact CB-O 3.47Å; G261-T263 VanDerWaalsContact C-N 3.34Å; T263-R350 HydrophobicContact CG2-CG 3.93Å |
| 264 | Y | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -66.1 | 148.4 | 157 | 71.9 | -102 | 0 | 0 | 0 | 109.1 | D133 L137 M140 R266 Q268 D269 R358 | D133-Y264 HydrophobicContact CB-CD1 3.6Å; D133-Y264 HydrophobicContact CB-CE1 3.93Å; D133-Y264 WeakPolarHBondContact OD2-CD1 3.41Å; D133-Y264 PolarHBondContact OD2-N 3.32Å; L137-Y264 HydrophobicContact CD1-CD1 3.66Å; L137-Y264 HydrophobicContact CD1-CE1 4.19Å; L137-Y264 HydrophobicContact CD1-CG 4.16Å; L137-Y264 HydrophobicContact CD2-CD1 4.04Å; L137-Y264 HydrophobicContact CD2-CD2 4.39Å; L137-Y264 HydrophobicContact CD2-CE1 3.99Å; L137-Y264 HydrophobicContact CD2-CE2 4.36Å; L137-Y264 HydrophobicContact CD2-CG 4.27Å; L137-Y264 HydrophobicContact CG-CD1 3.79Å; L137-Y264 HydrophobicContact CG-CE1 3.78Å; L137-Y264 HydrophobicContact CG-CG 4.43Å; M140-Y264 WeakPolarHBondContact CE-OH 3.47Å; Y264-R266 VanDerWaalsContact CZ-NH1 3.26Å; Y264-R266 PolarHBondContact O-N 3.06Å; Y264-R266 PolarHBondContact O-NH1 2.79Å; Y264-Q268 HydrophobicContact CD2-CB 4.02Å; Y264-Q268 HydrophobicContact CD2-CG 4.3Å; Y264-Q268 HydrophobicContact CE2-CB 4.06Å; Y264-D269 WeakPolarHBondContact CE2-OD1 3.4Å; Y264-D269 VanDerWaalsContact CZ-OD1 3.29Å; Y264-D269 PolarHBondContact OH-OD1 3.43Å; Y264-D269 PolarHBondContact OH-OD2 2.62Å; Y264-R358 PolarHBondContact OH-NH2 3.04Å | ||
| 265 | T | 98.2 | Very high | 98 | Very high | 57 Ų | 57 | 38.3 Ų | 38.3 | 35% | 0.35 | 21% | 0.209 | S | C | . | . | trans | -58.4 | 128 | 176.9 | 166.2 | 0 | 0 | 0 | 0 | 110.9 | M267 Q268 E343 | T265-M267 HydrophobicContact CG2-CB 4.31Å; T265-M267 PolarHBondContact O-N 3.2Å; T265-M267 WeakPolarHBondContact OG1-CB 3.4Å; T265-M267 PolarHBondContact OG1-N 3.23Å; T265-Q268 HydrophobicContact CG2-CG 4.26Å; T265-Q268 PolarHBondContact O-N 3.14Å; T265-E343 PolarHBondContact OG1-OE1 3.21Å; T265-E343 VanDerWaalsContact OG1-OE1 3.05Å | ||
| 266 | R | 98.2 | Very high | 98.1 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -4.8 | 179.9 | -48.6 | -53.8 | -171.5 | -158.5 | 6.7 | 111.7 | D133 Y264 Q268 D269 C270 E343 Q346 D354 | D133-R266 VanDerWaalsContact CG-NH1 3.33Å; D133-R266 IonicContact OD1-CZ 3.69Å; D133-R266 IonicContact OD1-NH1 3.05Å; D133-R266 PolarHBondContact OD1-NH1 2.9Å; D133-R266 IonicContact OD1-NH2 2.79Å; D133-R266 PolarHBondContact OD1-NH2 3.06Å; D133-R266 IonicContact OD2-CZ 3.31Å; D133-R266 IonicContact OD2-NH1 2.79Å; D133-R266 PolarHBondContact OD2-NH1 3.49Å; D133-R266 IonicContact OD2-NH2 3.86Å; Y264-R266 VanDerWaalsContact CZ-NH1 3.26Å; Y264-R266 PolarHBondContact O-N 3.06Å; Y264-R266 PolarHBondContact O-NH1 2.79Å; R266-Q268 PolarHBondContact O-N 2.94Å; R266-D269 WeakPolarHBondContact O-CA 3.48Å; R266-D269 VanDerWaalsContact O-CB 3.27Å; R266-D269 WeakPolarHBondContact O-CB 3.16Å; R266-D269 PolarHBondContact O-N 3.45Å; R266-C270 PolarHBondContact O-N 3.3Å; R266-E343 VanDerWaalsContact C-OE2 3.28Å; R266-E343 WeakPolarHBondContact CA-OE2 3.29Å; R266-E343 HydrophobicContact CB-CB 4.32Å; R266-E343 WeakPolarHBondContact CB-OE2 3.32Å; R266-E343 PolarHBondContact N-OE2 2.85Å; R266-Q346 HydrophobicContact CG-CG 4.25Å; R266-D354 IonicContact CZ-OD2 3.32Å; R266-D354 IonicContact NE-OD2 3.15Å; R266-D354 PolarHBondContact NE-OD2 2.72Å; R266-D354 IonicContact NH2-OD2 3.16Å; R266-D354 PolarHBondContact NH2-OD2 3.47Å |
| 267 | M | 97.5 | Very high | 98.2 | Very high | 101 Ų | 101 | 33.2 Ų | 33.2 | 50% | 0.498 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -56.4 | -28.2 | 163.4 | -164.1 | 59 | 72.2 | 0 | 0 | 113.6 | T265 D269 C270 S271 E343 | T265-M267 HydrophobicContact CG2-CB 4.31Å; T265-M267 PolarHBondContact O-N 3.2Å; T265-M267 WeakPolarHBondContact OG1-CB 3.4Å; T265-M267 PolarHBondContact OG1-N 3.23Å; M267-D269 VanDerWaalsContact C-N 3.32Å; M267-C270 WeakPolarHBondContact O-CB 3.23Å; M267-C270 PolarHBondContact O-N 3.1Å; M267-C270 HydrophobicContact SD-CB 3.98Å; M267-S271 PolarHBondContact O-N 2.97Å; M267-E343 HydrophobicContact CB-CG 4.45Å; M267-E343 HydrophobicContact CE-CG 3.79Å; M267-E343 VanDerWaalsContact N-CD 3.34Å; M267-E343 PolarHBondContact N-OE2 3.41Å; M267-E343 VanDerWaalsContact N-OE2 3.11Å |
| 268 | Q | 98.1 | Very high | 98.2 | Very high | 17 Ų | 17 | 34.9 Ų | 34.9 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.4 | -38.1 | 171 | -64.3 | -160.3 | 112 | 0 | 0 | 111.6 | L209 L210 Y264 T265 R266 C270 S271 V272 | L209-Q268 HydrophobicContact CD1-CB 4.05Å; L210-Q268 PolarHBondContact O-NE2 3.03Å; L210-Q268 VanDerWaalsContact O-NE2 3.16Å; L210-Q268 PolarHBondContact O-OE1 3.21Å; Y264-Q268 HydrophobicContact CD2-CB 4.02Å; Y264-Q268 HydrophobicContact CD2-CG 4.3Å; Y264-Q268 HydrophobicContact CE2-CB 4.06Å; T265-Q268 HydrophobicContact CG2-CG 4.26Å; T265-Q268 PolarHBondContact O-N 3.14Å; R266-Q268 PolarHBondContact O-N 2.94Å; Q268-C270 VanDerWaalsContact C-N 3.31Å; Q268-C270 PolarHBondContact O-N 2.84Å; Q268-S271 PolarHBondContact O-N 3.21Å; Q268-V272 WeakPolarHBondContact O-CG2 3.33Å; Q268-V272 PolarHBondContact O-N 2.97Å |
| 269 | D | 98.3 | Very high | 98.3 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.4 | -41.8 | 175.2 | -60.7 | -13 | 0 | 0 | 0 | 109.9 | Y264 R266 M267 S271 V272 L273 R358 L362 | Y264-D269 WeakPolarHBondContact CE2-OD1 3.4Å; Y264-D269 VanDerWaalsContact CZ-OD1 3.29Å; Y264-D269 PolarHBondContact OH-OD1 3.43Å; Y264-D269 PolarHBondContact OH-OD2 2.62Å; R266-D269 WeakPolarHBondContact O-CA 3.48Å; R266-D269 VanDerWaalsContact O-CB 3.27Å; R266-D269 WeakPolarHBondContact O-CB 3.16Å; R266-D269 PolarHBondContact O-N 3.45Å; M267-D269 VanDerWaalsContact C-N 3.32Å; D269-S271 PolarHBondContact O-N 3.26Å; D269-V272 PolarHBondContact O-N 3.3Å; D269-L273 WeakPolarHBondContact O-CB 3.36Å; D269-L273 WeakPolarHBondContact O-CD1 3.11Å; D269-L273 PolarHBondContact O-N 2.86Å; D269-R358 WeakPolarHBondContact OD2-CD 3.31Å; D269-R358 IonicContact OD2-CZ 3.76Å; D269-R358 IonicContact OD2-NE 2.76Å; D269-R358 PolarHBondContact OD2-NE 3.47Å; D269-R358 IonicContact OD2-NH2 3.96Å; D269-L362 HydrophobicContact CB-CD2 4.24Å |
| 270 | C | 98.2 | Very high | 98.4 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.014 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.7 | -44.7 | 175.8 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | R266 M267 Q268 V272 L273 C274 C339 F340 | R266-C270 PolarHBondContact O-N 3.3Å; M267-C270 WeakPolarHBondContact O-CB 3.23Å; M267-C270 PolarHBondContact O-N 3.1Å; M267-C270 HydrophobicContact SD-CB 3.98Å; Q268-C270 VanDerWaalsContact C-N 3.31Å; Q268-C270 PolarHBondContact O-N 2.84Å; C270-V272 VanDerWaalsContact C-N 3.33Å; C270-V272 PolarHBondContact O-N 3.39Å; C270-L273 PolarHBondContact O-N 2.86Å; C270-C274 VanDerWaalsContact O-CB 3.29Å; C270-C274 WeakPolarHBondContact O-CB 3.39Å; C270-C274 PolarHBondContact O-N 3.27Å; C270-C274 PolarHBondContact O-SG 3.23Å; C270-C339 VanDerWaalsContact SG-C 3.6Å; C270-C339 PolarHBondContact SG-O 3.31Å; C270-F340 HydrophobicContact CB-CD1 3.99Å; C270-F340 HydrophobicContact CB-CE1 3.87Å |
| 271 | S | 97.5 | Very high | 98.4 | Very high | 57 Ų | 57 | 22.5 Ų | 22.5 | 40% | 0.399 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -60.3 | -43.4 | 178.5 | -173 | 0 | 0 | 0 | 0 | 112.1 | M267 Q268 D269 S275 | M267-S271 PolarHBondContact O-N 2.97Å; Q268-S271 PolarHBondContact O-N 3.21Å; D269-S271 PolarHBondContact O-N 3.26Å; S271-S275 PolarHBondContact O-N 2.95Å; S271-S275 PolarHBondContact O-OG 2.86Å |
| 272 | V | 98.5 | Very high | 98.4 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.9 | -52.8 | 177.1 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | I144 L209 Q268 D269 C270 C274 S275 L276 F366 | I144-V272 HydrophobicContact CD1-CG1 4.14Å; I144-V272 HydrophobicContact CD1-CG2 3.93Å; I144-V272 HydrophobicContact CG1-CG1 4.46Å; L209-V272 HydrophobicContact CD1-CG2 4.45Å; Q268-V272 WeakPolarHBondContact O-CG2 3.33Å; Q268-V272 PolarHBondContact O-N 2.97Å; D269-V272 PolarHBondContact O-N 3.3Å; C270-V272 VanDerWaalsContact C-N 3.33Å; C270-V272 PolarHBondContact O-N 3.39Å; V272-C274 PolarHBondContact O-N 3.07Å; V272-S275 WeakPolarHBondContact O-CA 3.01Å; V272-S275 WeakPolarHBondContact O-CB 3.37Å; V272-S275 PolarHBondContact O-N 3.45Å; V272-L276 HydrophobicContact CG1-CD1 4.24Å; V272-L276 HydrophobicContact CG1-CG 4.38Å; V272-L276 WeakPolarHBondContact O-CG 3Å; V272-L276 PolarHBondContact O-N 2.94Å; V272-F366 HydrophobicContact CG1-CE1 4.48Å; V272-F366 HydrophobicContact CG1-CE2 3.92Å; V272-F366 HydrophobicContact CG1-CZ 3.53Å |
| 273 | L | 98.4 | Very high | 98.4 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.9 | -36.7 | -175.8 | -95.6 | 67.1 | 0 | 0 | 0 | 113.2 | D269 C270 S275 L276 G277 L335 C339 L361 L362 A365 | D269-L273 WeakPolarHBondContact O-CB 3.36Å; D269-L273 WeakPolarHBondContact O-CD1 3.11Å; D269-L273 PolarHBondContact O-N 2.86Å; C270-L273 PolarHBondContact O-N 2.86Å; L273-S275 VanDerWaalsContact C-N 3.29Å; L273-S275 PolarHBondContact O-N 3.47Å; L273-L276 PolarHBondContact O-N 2.98Å; L273-G277 PolarHBondContact O-N 3.34Å; L273-L335 HydrophobicContact CD2-CB 4.49Å; L273-C339 HydrophobicContact CB-CB 4.43Å; L273-C339 HydrophobicContact CD2-CB 3.75Å; L273-L361 HydrophobicContact CD2-CD1 3.57Å; L273-L361 HydrophobicContact CD2-CD2 3.69Å; L273-L361 HydrophobicContact CD2-CG 3.54Å; L273-L362 HydrophobicContact CD1-CD2 3.87Å; L273-A365 HydrophobicContact CD1-CB 4.37Å; L273-A365 HydrophobicContact CG-CB 4.28Å |
| 274 | C | 98.6 | Very high | 98.4 | Very high | 36 Ų | 36 | 21 Ų | 21 | 24% | 0.243 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.9 | -44.3 | 170.8 | -77 | 0 | 0 | 0 | 0 | 111.3 | C270 V272 G277 M278 F340 | C270-C274 VanDerWaalsContact O-CB 3.29Å; C270-C274 WeakPolarHBondContact O-CB 3.39Å; C270-C274 PolarHBondContact O-N 3.27Å; C270-C274 PolarHBondContact O-SG 3.23Å; V272-C274 PolarHBondContact O-N 3.07Å; C274-G277 PolarHBondContact O-N 3.4Å; C274-M278 WeakPolarHBondContact O-CG 3.43Å; C274-M278 PolarHBondContact O-N 3.36Å; C274-F340 WeakPolarHBondContact SG-CZ 3.41Å |
| 275 | S | 98.5 | Very high | 98.4 | Very high | 4 Ų | 4 | 24.5 Ų | 24.5 | 3% | 0.028 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.9 | -40.7 | 179.3 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | H201 S271 V272 L273 M278 I279 | H201-S275 PolarHBondContact O-OG 3.19Å; S271-S275 PolarHBondContact O-N 2.95Å; S271-S275 PolarHBondContact O-OG 2.86Å; V272-S275 WeakPolarHBondContact O-CA 3.01Å; V272-S275 WeakPolarHBondContact O-CB 3.37Å; V272-S275 PolarHBondContact O-N 3.45Å; L273-S275 VanDerWaalsContact C-N 3.29Å; L273-S275 PolarHBondContact O-N 3.47Å; S275-M278 PolarHBondContact O-N 3.35Å; S275-I279 PolarHBondContact O-N 3.37Å |
| 276 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.6 | -43.4 | 173 | -58.2 | -177.9 | 0 | 0 | 0 | 111.1 | L147 L202 V272 L273 M278 I279 G280 L332 A365 F366 T369 | L147-L276 HydrophobicContact CD1-CD2 3.5Å; L202-L276 HydrophobicContact CD1-CD2 3.96Å; V272-L276 HydrophobicContact CG1-CD1 4.24Å; V272-L276 HydrophobicContact CG1-CG 4.38Å; V272-L276 WeakPolarHBondContact O-CG 3Å; V272-L276 PolarHBondContact O-N 2.94Å; L273-L276 PolarHBondContact O-N 2.98Å; L276-M278 VanDerWaalsContact C-N 3.29Å; L276-M278 PolarHBondContact O-N 2.88Å; L276-I279 WeakPolarHBondContact O-CB 3.49Å; L276-I279 PolarHBondContact O-N 3.34Å; L276-G280 PolarHBondContact O-N 2.98Å; L276-L332 HydrophobicContact CB-CD1 4Å; L276-L332 HydrophobicContact CB-CD2 4.23Å; L276-L332 HydrophobicContact CB-CG 4.4Å; L276-L332 WeakPolarHBondContact O-CD2 3.39Å; L276-A365 HydrophobicContact CD1-CB 3.98Å; L276-F366 HydrophobicContact CD1-CD1 4.36Å; L276-F366 HydrophobicContact CD1-CD2 4.32Å; L276-F366 HydrophobicContact CD1-CE1 4.36Å; L276-F366 HydrophobicContact CD1-CE2 4.32Å; L276-F366 HydrophobicContact CD1-CG 4.36Å; L276-F366 HydrophobicContact CD1-CZ 4.36Å; L276-T369 HydrophobicContact CD2-CG2 4.08Å |
| 277 | G | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.3 | -37.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | L273 C274 G280 A281 | L273-G277 PolarHBondContact O-N 3.34Å; C274-G277 PolarHBondContact O-N 3.4Å; G277-G280 CarbonylContact O-C 3.48Å; G277-G280 WeakPolarHBondContact O-CA 3.45Å; G277-G280 PolarHBondContact O-N 3.26Å; G277-A281 PolarHBondContact O-N 2.9Å |
| 278 | M | 98.8 | Very high | 98.5 | Very high | 59 Ų | 59 | 19.4 Ų | 19.4 | 29% | 0.291 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -64.2 | -39 | 173.3 | -69.7 | 176.4 | 70.7 | 0 | 0 | 112.3 | I197 A198 H201 C274 S275 L276 G280 A281 A282 | I197-M278 HydrophobicContact CG2-CE 3.77Å; A198-M278 HydrophobicContact CB-CB 3.89Å; H201-M278 HydrophobicContact CB-CE 4.19Å; H201-M278 HydrophobicContact CB-SD 3.82Å; H201-M278 VanDerWaalsContact CG-SD 3.54Å; C274-M278 WeakPolarHBondContact O-CG 3.43Å; C274-M278 PolarHBondContact O-N 3.36Å; S275-M278 PolarHBondContact O-N 3.35Å; L276-M278 VanDerWaalsContact C-N 3.29Å; L276-M278 PolarHBondContact O-N 2.88Å; M278-G280 VanDerWaalsContact C-N 3.32Å; M278-A281 PolarHBondContact O-N 3.03Å; M278-A282 WeakPolarHBondContact O-CB 3.47Å; M278-A282 PolarHBondContact O-N 2.87Å |
| 279 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 171.8 | -63.7 | 170 | 0 | 0 | 0 | 109.6 | V151 L195 A198 L202 S275 L276 A281 A282 V283 T369 L373 | V151-I279 HydrophobicContact CG2-CD1 3.83Å; L195-I279 HydrophobicContact CD1-CG2 4.37Å; A198-I279 HydrophobicContact CB-CG1 3.79Å; L202-I279 HydrophobicContact CB-CD1 4.49Å; L202-I279 HydrophobicContact CD2-CD1 3.69Å; S275-I279 PolarHBondContact O-N 3.37Å; L276-I279 WeakPolarHBondContact O-CB 3.49Å; L276-I279 PolarHBondContact O-N 3.34Å; I279-A281 PolarHBondContact O-N 3.31Å; I279-A282 PolarHBondContact O-N 3.4Å; I279-V283 HydrophobicContact CG2-CG2 4.22Å; I279-V283 WeakPolarHBondContact O-CG2 3.32Å; I279-V283 PolarHBondContact O-N 3.32Å; I279-T369 HydrophobicContact CD1-CG2 4.24Å; I279-T369 HydrophobicContact CG2-CG2 4.21Å; I279-L373 HydrophobicContact CG2-CD2 3.9Å; I279-L373 HydrophobicContact CG2-CG 4.32Å |
| 280 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -52.7 | -52.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L276 G277 M278 A282 V283 H284 A329 | L276-G280 PolarHBondContact O-N 2.98Å; G277-G280 CarbonylContact O-C 3.48Å; G277-G280 WeakPolarHBondContact O-CA 3.45Å; G277-G280 PolarHBondContact O-N 3.26Å; M278-G280 VanDerWaalsContact C-N 3.32Å; G280-A282 PolarHBondContact O-N 3.44Å; G280-V283 PolarHBondContact O-N 3.06Å; G280-H284 VanDerWaalsContact O-CB 3.29Å; G280-H284 WeakPolarHBondContact O-CB 3.38Å; G280-H284 PolarHBondContact O-N 2.92Å; G280-A329 VanDerWaalsContact O-CB 3.24Å; G280-A329 WeakPolarHBondContact O-CB 3.36Å |
| 281 | A | 98.7 | Very high | 98.5 | Very high | 48 Ų | 48 | 23.4 Ų | 23.4 | 40% | 0.397 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -59.8 | -46.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G277 M278 I279 H284 K285 I333 | G277-A281 PolarHBondContact O-N 2.9Å; M278-A281 PolarHBondContact O-N 3.03Å; I279-A281 PolarHBondContact O-N 3.31Å; A281-H284 PolarHBondContact O-N 3.44Å; A281-K285 PolarHBondContact O-N 3.43Å; A281-K285 VanDerWaalsContact O-N 3.07Å; A281-I333 HydrophobicContact CB-CD1 4.31Å |
| 282 | A | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 23.2 Ų | 23.2 | 5% | 0.05 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.5 | -52.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | D194 L195 M278 I279 G280 H284 K285 V286 | D194-A282 HydrophobicContact CB-CB 3.95Å; L195-A282 HydrophobicContact CB-CB 4.46Å; L195-A282 HydrophobicContact CD1-CB 4.47Å; M278-A282 WeakPolarHBondContact O-CB 3.47Å; M278-A282 PolarHBondContact O-N 2.87Å; I279-A282 PolarHBondContact O-N 3.4Å; G280-A282 PolarHBondContact O-N 3.44Å; A282-H284 PolarHBondContact O-N 3.3Å; A282-K285 PolarHBondContact O-N 3.23Å; A282-V286 WeakPolarHBondContact O-CG2 3.3Å; A282-V286 PolarHBondContact O-N 3.45Å; A282-V286 VanDerWaalsContact O-N 3.14Å |
| 283 | V | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66 | -36.7 | -178.8 | 177.6 | 0 | 0 | 0 | 0 | 111.8 | L195 I279 G280 K285 V286 S287 C325 L372 F376 | L195-V283 HydrophobicContact CD1-CG2 4.43Å; I279-V283 HydrophobicContact CG2-CG2 4.22Å; I279-V283 WeakPolarHBondContact O-CG2 3.32Å; I279-V283 PolarHBondContact O-N 3.32Å; G280-V283 PolarHBondContact O-N 3.06Å; V283-K285 VanDerWaalsContact C-N 3.34Å; V283-K285 PolarHBondContact O-N 3.25Å; V283-V286 PolarHBondContact O-N 3.19Å; V283-S287 VanDerWaalsContact O-CB 3.26Å; V283-S287 WeakPolarHBondContact O-CB 3.44Å; V283-S287 PolarHBondContact O-N 3.05Å; V283-S287 PolarHBondContact O-OG 3.44Å; V283-C325 HydrophobicContact CG1-CB 4.09Å; V283-L372 HydrophobicContact CB-CD1 4.22Å; V283-L372 HydrophobicContact CB-CD2 4.14Å; V283-L372 HydrophobicContact CB-CG 4.26Å; V283-L372 HydrophobicContact CG1-CD1 3.53Å; V283-L372 HydrophobicContact CG1-CD2 4.34Å; V283-L372 HydrophobicContact CG1-CG 3.94Å; V283-L372 HydrophobicContact CG2-CD2 4.41Å; V283-L372 HydrophobicContact CG2-CG 4.48Å; V283-F376 HydrophobicContact CG1-CB 3.94Å; V283-F376 HydrophobicContact CG1-CD1 4.22Å; V283-F376 HydrophobicContact CG1-CD2 3.69Å; V283-F376 HydrophobicContact CG1-CE2 4.23Å; V283-F376 HydrophobicContact CG1-CG 3.69Å; V283-F376 HydrophobicContact CG2-CD1 3.85Å; V283-F376 HydrophobicContact CG2-CE1 4.08Å; V283-F376 HydrophobicContact CG2-CG 4.17Å |
| 284 | H | 98.8 | Very high | 98.4 | Very high | 42 Ų | 42 | 24.5 Ų | 24.5 | 19% | 0.194 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.6 | -43.3 | 176 | -169.1 | -53.3 | 0 | 0 | 0 | 111.3 | G280 A281 A282 S287 M288 C326 A329 R330 | G280-H284 VanDerWaalsContact O-CB 3.29Å; G280-H284 WeakPolarHBondContact O-CB 3.38Å; G280-H284 PolarHBondContact O-N 2.92Å; A281-H284 PolarHBondContact O-N 3.44Å; A282-H284 PolarHBondContact O-N 3.3Å; H284-S287 PolarHBondContact O-N 3.25Å; H284-M288 WeakPolarHBondContact O-CB 3.39Å; H284-M288 PolarHBondContact O-N 3.44Å; H284-C326 PolarHBondContact CD2-O 3.48Å; H284-C326 VanDerWaalsContact CD2-O 3.23Å; H284-A329 HydrophobicContact CB-CB 3.74Å; H284-R330 PolarHBondContact NE2-NH2 3.39Å; H284-R330 VanDerWaalsContact NE2-NH2 3.12Å |
| 285 | K | 98.5 | Very high | 98.3 | Very high | 72 Ų | 72 | 27.6 Ų | 27.6 | 31% | 0.313 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63.1 | -46 | 178.8 | 179.6 | -101.3 | -176.8 | -72.4 | 0 | 111.4 | A281 A282 V283 M288 D289 | A281-K285 PolarHBondContact O-N 3.43Å; A281-K285 VanDerWaalsContact O-N 3.07Å; A282-K285 PolarHBondContact O-N 3.23Å; V283-K285 VanDerWaalsContact C-N 3.34Å; V283-K285 PolarHBondContact O-N 3.25Å; K285-M288 PolarHBondContact O-N 2.98Å; K285-D289 IonicContact NZ-OD1 3.32Å; K285-D289 PolarHBondContact NZ-OD1 3.31Å; K285-D289 VanDerWaalsContact NZ-OD1 3.15Å; K285-D289 IonicContact NZ-OD2 2.92Å; K285-D289 PolarHBondContact NZ-OD2 3.44Å; K285-D289 PolarHBondContact O-N 3.34Å |
| 286 | V | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64 | -45.2 | 177.4 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | W191 A282 V283 M288 D289 I290 F376 | W191-V286 HydrophobicContact CB-CB 4.43Å; W191-V286 HydrophobicContact CB-CG1 4.12Å; W191-V286 HydrophobicContact CB-CG2 3.45Å; W191-V286 VanDerWaalsContact CB-CG2 3.45Å; W191-V286 HydrophobicContact CD2-CG1 3.71Å; W191-V286 HydrophobicContact CD2-CG2 4.42Å; W191-V286 HydrophobicContact CE3-CG1 3.97Å; W191-V286 HydrophobicContact CG-CB 4.23Å; W191-V286 HydrophobicContact CG-CG1 3.78Å; W191-V286 HydrophobicContact CG-CG2 3.6Å; A282-V286 WeakPolarHBondContact O-CG2 3.3Å; A282-V286 PolarHBondContact O-N 3.45Å; A282-V286 VanDerWaalsContact O-N 3.14Å; V283-V286 PolarHBondContact O-N 3.19Å; V286-M288 VanDerWaalsContact C-N 3.27Å; V286-M288 PolarHBondContact O-N 3.11Å; V286-D289 WeakPolarHBondContact O-CB 3.37Å; V286-D289 PolarHBondContact O-N 3.24Å; V286-D289 VanDerWaalsContact O-N 3.14Å; V286-I290 HydrophobicContact CG1-CD1 3.91Å; V286-I290 HydrophobicContact CG1-CG1 4.44Å; V286-I290 WeakPolarHBondContact O-CG1 3.29Å; V286-I290 PolarHBondContact O-N 3.21Å; V286-F376 HydrophobicContact CB-CE2 3.98Å; V286-F376 HydrophobicContact CB-CZ 4.07Å; V286-F376 HydrophobicContact CG1-CE2 3.66Å; V286-F376 HydrophobicContact CG1-CZ 3.82Å; V286-F376 HydrophobicContact CG2-CZ 4.34Å |
| 287 | S | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.8 | -33.7 | 180 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | V283 H284 R291 S322 C325 | V283-S287 VanDerWaalsContact O-CB 3.26Å; V283-S287 WeakPolarHBondContact O-CB 3.44Å; V283-S287 PolarHBondContact O-N 3.05Å; V283-S287 PolarHBondContact O-OG 3.44Å; H284-S287 PolarHBondContact O-N 3.25Å; S287-R291 WeakPolarHBondContact O-CD 3.33Å; S287-R291 WeakPolarHBondContact O-CG 3.38Å; S287-R291 PolarHBondContact O-N 3.3Å; S287-R291 VanDerWaalsContact O-N 3.07Å; S287-S322 WeakPolarHBondContact CB-O 3.45Å; S287-C325 WeakPolarHBondContact OG-CB 3.14Å |
| 288 | M | 98.2 | Very high | 98 | Very high | 51 Ų | 51 | 31.3 Ų | 31.3 | 25% | 0.251 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.8 | -45.1 | 171.5 | -174.4 | 63.9 | -170.7 | 0 | 0 | 111.7 | H284 K285 V286 I290 R291 M292 | H284-M288 WeakPolarHBondContact O-CB 3.39Å; H284-M288 PolarHBondContact O-N 3.44Å; K285-M288 PolarHBondContact O-N 2.98Å; V286-M288 VanDerWaalsContact C-N 3.27Å; V286-M288 PolarHBondContact O-N 3.11Å; M288-I290 VanDerWaalsContact C-N 3.34Å; M288-I290 PolarHBondContact O-N 3.04Å; M288-R291 PolarHBondContact O-N 3.17Å; M288-R291 PolarHBondContact SD-NH1 3.17Å; M288-M292 HydrophobicContact CE-CG 4.09Å; M288-M292 HydrophobicContact CE-SD 3.92Å; M288-M292 WeakPolarHBondContact O-CG 3.41Å; M288-M292 PolarHBondContact O-N 2.83Å; M288-M292 VanDerWaalsContact O-N 3.08Å |
| 289 | D | 98.4 | Very high | 97.9 | Very high | 37 Ų | 37 | 28.5 Ų | 28.5 | 20% | 0.198 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.1 | -45.1 | 175.6 | -74 | 5.2 | 0 | 0 | 0 | 111.3 | W191 K285 V286 R291 M292 L293 | W191-D289 HydrophobicContact CZ2-CB 3.99Å; W191-D289 PolarHBondContact NE1-OD2 2.95Å; K285-D289 IonicContact NZ-OD1 3.32Å; K285-D289 PolarHBondContact NZ-OD1 3.31Å; K285-D289 VanDerWaalsContact NZ-OD1 3.15Å; K285-D289 IonicContact NZ-OD2 2.92Å; K285-D289 PolarHBondContact NZ-OD2 3.44Å; K285-D289 PolarHBondContact O-N 3.34Å; V286-D289 WeakPolarHBondContact O-CB 3.37Å; V286-D289 PolarHBondContact O-N 3.24Å; V286-D289 VanDerWaalsContact O-N 3.14Å; D289-R291 VanDerWaalsContact C-N 3.34Å; D289-R291 PolarHBondContact O-N 2.97Å; D289-M292 PolarHBondContact O-N 3.07Å; D289-L293 WeakPolarHBondContact O-CB 3.48Å; D289-L293 VanDerWaalsContact O-CG 3.22Å; D289-L293 WeakPolarHBondContact O-CG 3.44Å; D289-L293 PolarHBondContact O-N 3.12Å |
| 290 | I | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.5 | -43.4 | 178.1 | -68.2 | 166.2 | 0 | 0 | 0 | 110.9 | W191 V286 M288 M292 L293 Q294 E301 S322 V379 L383 | W191-I290 HydrophobicContact CH2-CG1 4.42Å; V286-I290 HydrophobicContact CG1-CD1 3.91Å; V286-I290 HydrophobicContact CG1-CG1 4.44Å; V286-I290 WeakPolarHBondContact O-CG1 3.29Å; V286-I290 PolarHBondContact O-N 3.21Å; M288-I290 VanDerWaalsContact C-N 3.34Å; M288-I290 PolarHBondContact O-N 3.04Å; I290-M292 VanDerWaalsContact C-N 3.3Å; I290-M292 PolarHBondContact O-N 3.44Å; I290-L293 PolarHBondContact O-N 3.39Å; I290-Q294 WeakPolarHBondContact O-CB 3.38Å; I290-Q294 PolarHBondContact O-N 3.24Å; I290-E301 HydrophobicContact CG2-CB 4.47Å; I290-S322 WeakPolarHBondContact CG2-OG 3.43Å; I290-V379 HydrophobicContact CD1-CG1 3.85Å; I290-L383 HydrophobicContact CD1-CD2 4.1Å; I290-L383 HydrophobicContact CG1-CD2 4.45Å; I290-L383 HydrophobicContact CG2-CD2 4.46Å |
| 291 | R | 98 | Very high | 97.6 | Very high | 68 Ų | 68 | 30.6 Ų | 30.6 | 26% | 0.257 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.6 | -42.5 | 175.9 | -70.1 | 162.9 | 67.7 | -151.3 | 0.4 | 111.8 | S287 M288 D289 C295 P319 E323 | S287-R291 WeakPolarHBondContact O-CD 3.33Å; S287-R291 WeakPolarHBondContact O-CG 3.38Å; S287-R291 PolarHBondContact O-N 3.3Å; S287-R291 VanDerWaalsContact O-N 3.07Å; M288-R291 PolarHBondContact O-N 3.17Å; M288-R291 PolarHBondContact SD-NH1 3.17Å; D289-R291 VanDerWaalsContact C-N 3.34Å; D289-R291 PolarHBondContact O-N 2.97Å; R291-C295 PolarHBondContact O-N 3.36Å; R291-C295 VanDerWaalsContact O-N 3.1Å; R291-P319 HydrophobicContact CB-CG 4.17Å; R291-P319 HydrophobicContact CG-CB 3.9Å; R291-P319 HydrophobicContact CG-CG 3.77Å; R291-E323 HydrophobicContact CG-CG 4.31Å; R291-E323 VanDerWaalsContact NE-CG 3.33Å; R291-E323 IonicContact NE-OE1 3.4Å; R291-E323 IonicContact NH2-OE1 3.33Å |
| 292 | M | 97.6 | Very high | 97.1 | Very high | 53 Ų | 53 | 28.6 Ų | 28.6 | 26% | 0.261 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -69.6 | -43.2 | 177.4 | -64.9 | -55.1 | -60.4 | 0 | 0 | 112.1 | Y176 M288 D289 I290 Q294 C295 F296 | Y176-M292 HydrophobicContact CD1-CE 4.33Å; Y176-M292 HydrophobicContact CE1-CE 4.42Å; Y176-M292 HydrophobicContact CE1-CG 4.18Å; M288-M292 HydrophobicContact CE-CG 4.09Å; M288-M292 HydrophobicContact CE-SD 3.92Å; M288-M292 WeakPolarHBondContact O-CG 3.41Å; M288-M292 PolarHBondContact O-N 2.83Å; M288-M292 VanDerWaalsContact O-N 3.08Å; D289-M292 PolarHBondContact O-N 3.07Å; I290-M292 VanDerWaalsContact C-N 3.3Å; I290-M292 PolarHBondContact O-N 3.44Å; M292-Q294 VanDerWaalsContact C-N 3.27Å; M292-Q294 PolarHBondContact O-N 3.02Å; M292-C295 WeakPolarHBondContact O-CA 3.5Å; M292-C295 VanDerWaalsContact O-CB 3.24Å; M292-C295 WeakPolarHBondContact O-CB 3.36Å; M292-C295 PolarHBondContact O-N 2.94Å; M292-C295 VanDerWaalsContact O-N 3.1Å; M292-F296 HydrophobicContact CB-CE2 4.19Å; M292-F296 HydrophobicContact CB-CZ 4.46Å; M292-F296 HydrophobicContact CE-CE1 4.4Å; M292-F296 HydrophobicContact CE-CZ 3.95Å; M292-F296 WeakPolarHBondContact O-CD2 3.4Å; M292-F296 WeakPolarHBondContact O-CG 3.34Å; M292-F296 PolarHBondContact O-N 3.38Å |
| 293 | L | 98 | Very high | 96.5 | Very high | 7 Ų | 7 | 30 Ų | 30 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.3 | -33.1 | 177.8 | -68.1 | 164.6 | 0 | 0 | 0 | 112 | W191 D289 I290 F296 G297 E298 I299 | W191-L293 HydrophobicContact CH2-CD1 4.01Å; W191-L293 HydrophobicContact CZ2-CD1 3.85Å; D289-L293 WeakPolarHBondContact O-CB 3.48Å; D289-L293 VanDerWaalsContact O-CG 3.22Å; D289-L293 WeakPolarHBondContact O-CG 3.44Å; D289-L293 PolarHBondContact O-N 3.12Å; I290-L293 PolarHBondContact O-N 3.39Å; L293-F296 HydrophobicContact CD2-CD2 4.42Å; L293-F296 PolarHBondContact O-N 3.37Å; L293-G297 PolarHBondContact O-N 2.88Å; L293-E298 HydrophobicContact CD2-CB 4.28Å; L293-E298 VanDerWaalsContact CD2-OE2 3.23Å; L293-E298 WeakPolarHBondContact CD2-OE2 3.49Å; L293-E298 PolarHBondContact O-N 3.03Å; L293-I299 CarbonylContact C-O 3.52Å; L293-I299 VanDerWaalsContact C-O 3.28Å; L293-I299 HydrophobicContact CB-CB 3.96Å; L293-I299 HydrophobicContact CB-CG1 4.42Å; L293-I299 HydrophobicContact CD1-CB 4.46Å; L293-I299 HydrophobicContact CD1-CD1 3.98Å; L293-I299 HydrophobicContact CD1-CG1 4.41Å; L293-I299 PolarHBondContact O-N 3.27Å |
| 294 | Q | 97.1 | Very high | 95.7 | Very high | 25 Ų | 25 | 34.3 Ų | 34.3 | 12% | 0.117 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.5 | -35.9 | 172.9 | -173.5 | 162.2 | -32.7 | 0 | 0 | 111.7 | I290 M292 F296 G297 I299 R317 | I290-Q294 WeakPolarHBondContact O-CB 3.38Å; I290-Q294 PolarHBondContact O-N 3.24Å; M292-Q294 VanDerWaalsContact C-N 3.27Å; M292-Q294 PolarHBondContact O-N 3.02Å; Q294-F296 VanDerWaalsContact C-N 3.26Å; Q294-F296 PolarHBondContact O-N 3.48Å; Q294-G297 PolarHBondContact O-N 3.42Å; Q294-G297 VanDerWaalsContact O-N 3.1Å; Q294-I299 WeakPolarHBondContact CA-O 3.43Å; Q294-I299 WeakPolarHBondContact CB-O 3.29Å; Q294-I299 PolarHBondContact N-O 3.37Å; Q294-R317 PolarHBondContact NE2-O 3.3Å |
| 295 | C | 96 | Very high | 94.9 | Very high | 101 Ų | 101 | 40.5 Ų | 40.5 | 68% | 0.682 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -60.6 | -36.8 | 170.4 | -174.2 | 0 | 0 | 0 | 0 | 111.9 | R291 M292 G297 | R291-C295 PolarHBondContact O-N 3.36Å; R291-C295 VanDerWaalsContact O-N 3.1Å; M292-C295 WeakPolarHBondContact O-CA 3.5Å; M292-C295 VanDerWaalsContact O-CB 3.24Å; M292-C295 WeakPolarHBondContact O-CB 3.36Å; M292-C295 PolarHBondContact O-N 2.94Å; M292-C295 VanDerWaalsContact O-N 3.1Å; C295-G297 VanDerWaalsContact C-N 3.32Å |
| 296 | F | 95.4 | Very high | 94.2 | Very high | 61 Ų | 61 | 42.4 Ų | 42.4 | 27% | 0.268 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -76.5 | -20.7 | 175.4 | -53.5 | -37.4 | 0 | 0 | 0 | 112.3 | R173 M292 L293 Q294 E298 H393 | R173-F296 VanDerWaalsContact CZ-CD2 3.5Å; R173-F296 VanDerWaalsContact NE-CE2 3.3Å; M292-F296 HydrophobicContact CB-CE2 4.19Å; M292-F296 HydrophobicContact CB-CZ 4.46Å; M292-F296 HydrophobicContact CE-CE1 4.4Å; M292-F296 HydrophobicContact CE-CZ 3.95Å; M292-F296 WeakPolarHBondContact O-CD2 3.4Å; M292-F296 WeakPolarHBondContact O-CG 3.34Å; M292-F296 PolarHBondContact O-N 3.38Å; L293-F296 HydrophobicContact CD2-CD2 4.42Å; L293-F296 PolarHBondContact O-N 3.37Å; Q294-F296 VanDerWaalsContact C-N 3.26Å; Q294-F296 PolarHBondContact O-N 3.48Å; F296-E298 HydrophobicContact CB-CG 4.04Å; F296-H393 PolarHBondContact O-CE1 3.33Å |
| 297 | G | 96.1 | Very high | 93.5 | Very high | 23 Ų | 23 | 44 Ų | 44 | 24% | 0.237 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 11.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | L293 Q294 C295 N386 S389 | L293-G297 PolarHBondContact O-N 2.88Å; Q294-G297 PolarHBondContact O-N 3.42Å; Q294-G297 VanDerWaalsContact O-N 3.1Å; C295-G297 VanDerWaalsContact C-N 3.32Å; G297-N386 WeakPolarHBondContact O-CB 3.34Å; G297-N386 PolarHBondContact O-ND2 3.05Å; G297-N386 VanDerWaalsContact O-ND2 3.13Å; G297-S389 WeakPolarHBondContact O-CB 3.34Å; G297-S389 PolarHBondContact O-OG 3.24Å |
| 298 | E | 97.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -83.1 | -47.3 | -177.3 | -68.3 | -176.9 | -177 | 0 | 0 | 112.6 | T170 R173 R187 L293 F296 N386 I390 H393 | T170-E298 PolarHBondContact OG1-OE2 3.15Å; R173-E298 IonicContact CZ-OE1 3.82Å; R173-E298 IonicContact CZ-OE2 3.81Å; R173-E298 IonicContact NH1-OE1 3.69Å; R173-E298 PolarHBondContact NH1-OE1 3.33Å; R173-E298 IonicContact NH1-OE2 3.03Å; R173-E298 PolarHBondContact NH1-OE2 3.32Å; R173-E298 VanDerWaalsContact NH1-OE2 3.16Å; R173-E298 IonicContact NH2-OE1 2.79Å; R173-E298 PolarHBondContact NH2-OE1 3.12Å; R173-E298 IonicContact NH2-OE2 3.8Å; R187-E298 IonicContact NH1-OE2 2.89Å; L293-E298 HydrophobicContact CD2-CB 4.28Å; L293-E298 VanDerWaalsContact CD2-OE2 3.23Å; L293-E298 WeakPolarHBondContact CD2-OE2 3.49Å; L293-E298 PolarHBondContact O-N 3.03Å; F296-E298 HydrophobicContact CB-CG 4.04Å; E298-N386 PolarHBondContact O-N 3.07Å; E298-I390 HydrophobicContact CB-CD1 4.3Å; E298-I390 HydrophobicContact CB-CG1 3.71Å; E298-I390 HydrophobicContact CG-CG1 3.78Å; E298-H393 WeakPolarHBondContact CG-ND1 3.39Å; E298-H393 IonicContact OE1-CE1 3.9Å; E298-H393 IonicContact OE1-CG 2.79Å; E298-H393 IonicContact OE1-ND1 3.59Å; E298-H393 PolarHBondContact OE1-ND1 2.93Å |
| 299 | I | 97.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 131.8 | 179.6 | -54.8 | -174.4 | 0 | 0 | 0 | 108.3 | F161 V184 W191 L293 Q294 L383 R384 V385 | F161-I299 HydrophobicContact CZ-CD1 4.08Å; V184-I299 HydrophobicContact CG1-CD1 3.91Å; W191-I299 HydrophobicContact CH2-CD1 4.42Å; L293-I299 CarbonylContact C-O 3.52Å; L293-I299 VanDerWaalsContact C-O 3.28Å; L293-I299 HydrophobicContact CB-CB 3.96Å; L293-I299 HydrophobicContact CB-CG1 4.42Å; L293-I299 HydrophobicContact CD1-CB 4.46Å; L293-I299 HydrophobicContact CD1-CD1 3.98Å; L293-I299 HydrophobicContact CD1-CG1 4.41Å; L293-I299 PolarHBondContact O-N 3.27Å; Q294-I299 WeakPolarHBondContact CA-O 3.43Å; Q294-I299 WeakPolarHBondContact CB-O 3.29Å; Q294-I299 PolarHBondContact N-O 3.37Å; I299-L383 HydrophobicContact CG2-CB 4.44Å; I299-L383 HydrophobicContact CG2-CD2 4.06Å; I299-R384 CarbonylContact C-O 3.18Å; I299-R384 VanDerWaalsContact CA-O 3.28Å; I299-R384 WeakPolarHBondContact CA-O 3.47Å; I299-V385 HydrophobicContact CG1-CG2 4.48Å |
| 300 | S | 95.8 | Very high | 89.6 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 28% | 0.28 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 147.5 | 176.4 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | R384 | S300-R384 PolarHBondContact N-O 2.78Å; S300-R384 PolarHBondContact O-N 2.91Å |
| 301 | E | 94.6 | Very high | 88.9 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 2% | 0.023 | 31% | 0.313 | C | S | . | . | trans | -66.2 | 164.3 | 167.3 | 79.2 | 176.5 | -151.4 | 0 | 0 | 111 | I290 P319 M320 R321 S322 V379 | I290-E301 HydrophobicContact CG2-CB 4.47Å; E301-P319 WeakPolarHBondContact OE1-CA 3.4Å; E301-P319 VanDerWaalsContact OE2-CA 3.26Å; E301-P319 WeakPolarHBondContact OE2-CA 3.44Å; E301-M320 PolarHBondContact OE1-N 3.21Å; E301-R321 WeakPolarHBondContact OE1-CB 3.45Å; E301-R321 PolarHBondContact OE1-N 3.36Å; E301-R321 PolarHBondContact OE2-N 3.4Å; E301-S322 WeakPolarHBondContact OE2-CB 3.11Å; E301-S322 PolarHBondContact OE2-N 3.23Å; E301-S322 PolarHBondContact OE2-OG 3.3Å; E301-V379 HydrophobicContact CB-CG1 4.21Å | ||
| 302 | P | 89.2 | Confident | 88.2 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.032 | 33% | 0.334 | C | S | . | . | trans | -63.8 | 146.9 | -180 | -6.5 | 18.7 | 0 | 0 | 0 | 111.2 | S382 | P302-S382 VanDerWaalsContact CG-CB 3.49Å; P302-S382 WeakPolarHBondContact CG-O 3.45Å | ||
| 303 | F | 85.1 | Confident | 87.8 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 16% | 0.158 | 34% | 0.336 | C | S | . | . | trans | -132.3 | 114.9 | 179.1 | -168.7 | -91 | 0 | 0 | 0 | 109.1 | Q307 R317 R384 | F303-Q307 HydrophobicContact CD1-CB 4.46Å; F303-Q307 HydrophobicContact CD2-CB 4.44Å; F303-Q307 HydrophobicContact CD2-CG 4.21Å; F303-Q307 HydrophobicContact CE1-CB 4.19Å; F303-Q307 WeakPolarHBondContact CE1-O 3.27Å; F303-Q307 HydrophobicContact CE2-CB 4.17Å; F303-Q307 HydrophobicContact CE2-CG 3.9Å; F303-Q307 HydrophobicContact CZ-CB 4.06Å; F303-Q307 HydrophobicContact CZ-CG 4.23Å; F303-Q307 WeakPolarHBondContact CZ-O 3.38Å; F303-R317 HydrophobicContact CD2-CB 4.06Å; F303-R317 HydrophobicContact CD2-CG 3.83Å; F303-R317 HydrophobicContact CE1-CG 4.48Å; F303-R317 HydrophobicContact CE2-CB 4.11Å; F303-R317 HydrophobicContact CE2-CG 3.73Å; F303-R317 HydrophobicContact CG-CG 4.25Å; F303-R317 HydrophobicContact CZ-CG 4.05Å; F303-R384 PolarHBondContact O-NH2 2.63Å | ||
| 304 | E | 83.4 | Confident | 87.1 | Confident | 91 Ų | 91 | 60.2 Ų | 60.2 | 43% | 0.425 | 37% | 0.374 | S | S | . | . | trans | -71.4 | 153.1 | -178.8 | -50.3 | -54.2 | 145.1 | 0 | 0 | 111.3 | S306 Q307 R321 | E304-S306 PolarHBondContact O-N 2.94Å; E304-Q307 HydrophobicContact CB-CB 3.99Å; E304-Q307 WeakPolarHBondContact O-CB 3.19Å; E304-Q307 PolarHBondContact O-N 2.98Å; E304-R321 VanDerWaalsContact CG-NH2 3.33Å; E304-R321 IonicContact OE1-CZ 3.16Å; E304-R321 IonicContact OE1-NH1 2.75Å; E304-R321 PolarHBondContact OE1-NH1 3.33Å; E304-R321 IonicContact OE1-NH2 3.54Å; E304-R321 PolarHBondContact OE1-NH2 2.89Å | ||
| 305 | N | 81.4 | Confident | 86.5 | Confident | 173 Ų | 173 | 67.8 Ų | 67.8 | 93% | 0.925 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -32.9 | -177.5 | -67.9 | -27.9 | 0 | 0 | 0 | 113.2 | ||
| 306 | S | 83.8 | Confident | 86.2 | Confident | 111 Ų | 111 | 67 Ų | 67 | 78% | 0.776 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 1.6 | 178.7 | 56 | 0 | 0 | 0 | 0 | 113.8 | E304 V308 | E304-S306 PolarHBondContact O-N 2.94Å; S306-V308 PolarHBondContact O-N 2.92Å |
| 307 | Q | 83.4 | Confident | 85.9 | Confident | 35 Ų | 35 | 71.1 Ų | 71.1 | 16% | 0.164 | 40% | 0.402 | C | S | . | . | trans | -71.3 | 125.6 | -176.1 | -175.2 | 172.6 | -12.2 | 0 | 0 | 110.7 | F303 E304 | F303-Q307 HydrophobicContact CD1-CB 4.46Å; F303-Q307 HydrophobicContact CD2-CB 4.44Å; F303-Q307 HydrophobicContact CD2-CG 4.21Å; F303-Q307 HydrophobicContact CE1-CB 4.19Å; F303-Q307 WeakPolarHBondContact CE1-O 3.27Å; F303-Q307 HydrophobicContact CE2-CB 4.17Å; F303-Q307 HydrophobicContact CE2-CG 3.9Å; F303-Q307 HydrophobicContact CZ-CB 4.06Å; F303-Q307 HydrophobicContact CZ-CG 4.23Å; F303-Q307 WeakPolarHBondContact CZ-O 3.38Å; E304-Q307 HydrophobicContact CB-CB 3.99Å; E304-Q307 WeakPolarHBondContact O-CB 3.19Å; E304-Q307 PolarHBondContact O-N 2.98Å | ||
| 308 | V | 68.7 | Low | 85.8 | Confident | 112 Ų | 112 | 72.3 Ų | 72.3 | 68% | 0.679 | 40% | 0.402 | S | S | * | . | trans | -89.9 | 113.3 | 170.6 | 178.5 | 0 | 0 | 0 | 0 | 108.6 | S306 S310 | S306-V308 PolarHBondContact O-N 2.92Å; V308-S310 WeakPolarHBondContact CG1-O 3.34Å | ||
| 309 | G | 68.5 | Low | 85.7 | Confident | 18 Ų | 18 | 73.1 Ų | 73.1 | 19% | 0.186 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -78.1 | -31.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K316 N318 | G309-K316 CarbonylContact C-O 3.56Å; G309-K316 WeakPolarHBondContact CA-O 3.35Å; G309-N318 PolarHBondContact O-ND2 2.88Å |
| 310 | S | 76.8 | Confident | 85.6 | Confident | 25 Ų | 25 | 76.8 Ų | 76.8 | 18% | 0.175 | 43% | 0.426 | C | S | . | . | trans | -151.5 | 140.5 | 176.5 | 173.9 | 0 | 0 | 0 | 0 | 109.9 | V308 A312 M313 | V308-S310 WeakPolarHBondContact CG1-O 3.34Å; S310-A312 PolarHBondContact O-N 2.84Å; S310-A312 PolarHBondContact OG-N 3.32Å; S310-M313 WeakPolarHBondContact CB-O 3.49Å; S310-M313 PolarHBondContact OG-N 2.86Å | ||
| 311 | S | 81.9 | Confident | 85.6 | Confident | 129 Ų | 129 | 75.7 Ų | 75.7 | 90% | 0.902 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -65.5 | -24.8 | 176.6 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 312 | A | 84.1 | Confident | 85.7 | Confident | 82 Ų | 82 | 75.4 Ų | 75.4 | 68% | 0.678 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -115.8 | -18.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S310 | S310-A312 PolarHBondContact O-N 2.84Å; S310-A312 PolarHBondContact OG-N 3.32Å |
| 313 | M | 89.1 | Confident | 86.2 | Confident | 65 Ų | 65 | 79.4 Ų | 79.4 | 32% | 0.32 | 43% | 0.432 | S | S | . | . | trans | -123.4 | 87.9 | -174.6 | -67.4 | 174 | -79.6 | 0 | 0 | 109.8 | S310 Y315 K316 | S310-M313 WeakPolarHBondContact CB-O 3.49Å; S310-M313 PolarHBondContact OG-N 2.86Å; M313-Y315 HydrophobicContact CB-CE1 4.15Å; M313-Y315 HydrophobicContact CG-CE1 4.47Å; M313-Y315 PolarHBondContact O-N 3.46Å; M313-Y315 VanDerWaalsContact O-N 3.1Å; M313-K316 HydrophobicContact CB-CB 3.79Å; M313-K316 HydrophobicContact CB-CD 4.49Å; M313-K316 HydrophobicContact CE-CD 3.56Å; M313-K316 WeakPolarHBondContact O-CB 3.16Å; M313-K316 PolarHBondContact O-N 2.87Å; M313-K316 HydrophobicContact SD-CD 3.98Å | ||
| 314 | P | 83 | Confident | 86.8 | Confident | 127 Ų | 127 | 79.7 Ų | 79.7 | 83% | 0.825 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.7 | -169.8 | 23.7 | -34.1 | 0 | 0 | 0 | 114.1 | ||
| 315 | Y | 85 | Confident | 87.5 | Confident | 184 Ų | 184 | 75.3 Ų | 75.3 | 72% | 0.722 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -13.1 | 177 | 60.6 | -91.6 | 0 | 0 | 0 | 113.7 | M313 R317 | M313-Y315 HydrophobicContact CB-CE1 4.15Å; M313-Y315 HydrophobicContact CG-CE1 4.47Å; M313-Y315 PolarHBondContact O-N 3.46Å; M313-Y315 VanDerWaalsContact O-N 3.1Å; Y315-R317 PolarHBondContact O-N 3.3Å |
| 316 | K | 89.8 | Confident | 88.3 | Confident | 86 Ų | 86 | 67.2 Ų | 67.2 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | trans | -82.1 | 119.6 | -170.2 | -169 | 177.8 | -170.3 | -174.3 | 0 | 110.9 | G309 M313 N318 | G309-K316 CarbonylContact C-O 3.56Å; G309-K316 WeakPolarHBondContact CA-O 3.35Å; M313-K316 HydrophobicContact CB-CB 3.79Å; M313-K316 HydrophobicContact CB-CD 4.49Å; M313-K316 HydrophobicContact CE-CD 3.56Å; M313-K316 WeakPolarHBondContact O-CB 3.16Å; M313-K316 PolarHBondContact O-N 2.87Å; M313-K316 HydrophobicContact SD-CD 3.98Å; K316-N318 WeakPolarHBondContact CE-OD1 3.35Å | ||
| 317 | R | 89.3 | Confident | 89 | Confident | 147 Ų | 147 | 63.5 Ų | 63.5 | 56% | 0.555 | 35% | 0.348 | S | S | * | . | trans | -106.7 | 111 | 173.1 | -60.4 | -174.3 | 179.1 | 165.1 | 1.4 | 109.9 | Q294 F303 Y315 | Q294-R317 PolarHBondContact NE2-O 3.3Å; F303-R317 HydrophobicContact CD2-CB 4.06Å; F303-R317 HydrophobicContact CD2-CG 3.83Å; F303-R317 HydrophobicContact CE1-CG 4.48Å; F303-R317 HydrophobicContact CE2-CB 4.11Å; F303-R317 HydrophobicContact CE2-CG 3.73Å; F303-R317 HydrophobicContact CG-CG 4.25Å; F303-R317 HydrophobicContact CZ-CG 4.05Å; Y315-R317 PolarHBondContact O-N 3.3Å | ||
| 318 | N | 93.9 | Very high | 89.7 | Confident | 47 Ų | 47 | 62.7 Ų | 62.7 | 25% | 0.251 | 35% | 0.345 | S | S | . | . | trans | -94.5 | 145.3 | -178.6 | -65.4 | -40.3 | 0 | 0 | 0 | 111.2 | G309 K316 M320 | G309-N318 PolarHBondContact O-ND2 2.88Å; K316-N318 WeakPolarHBondContact CE-OD1 3.35Å; N318-M320 PolarHBondContact O-N 3.4Å | ||
| 319 | P | 95.3 | Very high | 91.2 | Very high | 18 Ų | 18 | 57.3 Ų | 57.3 | 12% | 0.117 | 31% | 0.312 | C | S | . | . | trans | -78.8 | 55.2 | 175.4 | 34.4 | -36.7 | 0 | 0 | 0 | 111.9 | R291 E301 R321 S322 E323 | R291-P319 HydrophobicContact CB-CG 4.17Å; R291-P319 HydrophobicContact CG-CB 3.9Å; R291-P319 HydrophobicContact CG-CG 3.77Å; E301-P319 WeakPolarHBondContact OE1-CA 3.4Å; E301-P319 VanDerWaalsContact OE2-CA 3.26Å; E301-P319 WeakPolarHBondContact OE2-CA 3.44Å; P319-R321 VanDerWaalsContact C-N 3.34Å; P319-R321 PolarHBondContact O-N 3.12Å; P319-S322 PolarHBondContact O-N 3.45Å; P319-E323 WeakPolarHBondContact O-CB 3.13Å; P319-E323 WeakPolarHBondContact O-CG 3.48Å; P319-E323 PolarHBondContact O-N 3.11Å | ||
| 320 | M | 95.2 | Very high | 92.6 | Very high | 77 Ų | 77 | 62.3 Ų | 62.3 | 38% | 0.379 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67 | -30.2 | -170 | 67 | 111.6 | 81.8 | 0 | 0 | 113.7 | E301 N318 R324 | E301-M320 PolarHBondContact OE1-N 3.21Å; N318-M320 PolarHBondContact O-N 3.4Å; M320-R324 WeakPolarHBondContact O-CB 3.47Å; M320-R324 PolarHBondContact O-N 2.95Å |
| 321 | R | 95.9 | Very high | 93.6 | Very high | 16 Ų | 16 | 65.2 Ų | 65.2 | 6% | 0.06 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -71.8 | -44.2 | 175.7 | -61.5 | 177.5 | -175.8 | 170.7 | 7.1 | 109.7 | E301 E304 P319 E323 R324 C325 T375 N378 V379 L504 | E301-R321 WeakPolarHBondContact OE1-CB 3.45Å; E301-R321 PolarHBondContact OE1-N 3.36Å; E301-R321 PolarHBondContact OE2-N 3.4Å; E304-R321 VanDerWaalsContact CG-NH2 3.33Å; E304-R321 IonicContact OE1-CZ 3.16Å; E304-R321 IonicContact OE1-NH1 2.75Å; E304-R321 PolarHBondContact OE1-NH1 3.33Å; E304-R321 IonicContact OE1-NH2 3.54Å; E304-R321 PolarHBondContact OE1-NH2 2.89Å; P319-R321 VanDerWaalsContact C-N 3.34Å; P319-R321 PolarHBondContact O-N 3.12Å; R321-E323 VanDerWaalsContact C-N 3.33Å; R321-E323 PolarHBondContact O-N 3.1Å; R321-R324 WeakPolarHBondContact O-CB 3.28Å; R321-R324 PolarHBondContact O-N 2.96Å; R321-C325 PolarHBondContact O-N 3.35Å; R321-C325 PolarHBondContact O-SG 2.89Å; R321-C325 VanDerWaalsContact O-SG 3.38Å; R321-T375 HydrophobicContact CB-CG2 4.01Å; R321-N378 WeakPolarHBondContact CD-OD1 3.44Å; R321-N378 VanDerWaalsContact CZ-OD1 3.31Å; R321-N378 PolarHBondContact NH1-OD1 3.11Å; R321-V379 HydrophobicContact CB-CG2 3.48Å; R321-V379 VanDerWaalsContact CB-CG2 3.48Å; R321-V379 HydrophobicContact CG-CG2 4.45Å; R321-L504 HydrophobicContact CG-CD1 4.38Å |
| 322 | S | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.9 | -38 | 174.9 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | S287 I290 E301 P319 C325 C326 | S287-S322 WeakPolarHBondContact CB-O 3.45Å; I290-S322 WeakPolarHBondContact CG2-OG 3.43Å; E301-S322 WeakPolarHBondContact OE2-CB 3.11Å; E301-S322 PolarHBondContact OE2-N 3.23Å; E301-S322 PolarHBondContact OE2-OG 3.3Å; P319-S322 PolarHBondContact O-N 3.45Å; S322-C325 WeakPolarHBondContact O-CB 3.43Å; S322-C325 PolarHBondContact O-N 3.34Å; S322-C326 PolarHBondContact O-N 2.92Å; S322-C326 PolarHBondContact O-SG 3.26Å |
| 323 | E | 98.3 | Very high | 95 | Very high | 88 Ų | 88 | 58.1 Ų | 58.1 | 41% | 0.411 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 172.6 | -75.6 | 178.8 | 145 | 0 | 0 | 112.5 | R291 P319 R321 C326 G327 | R291-E323 HydrophobicContact CG-CG 4.31Å; R291-E323 VanDerWaalsContact NE-CG 3.33Å; R291-E323 IonicContact NE-OE1 3.4Å; R291-E323 IonicContact NH2-OE1 3.33Å; P319-E323 WeakPolarHBondContact O-CB 3.13Å; P319-E323 WeakPolarHBondContact O-CG 3.48Å; P319-E323 PolarHBondContact O-N 3.11Å; R321-E323 VanDerWaalsContact C-N 3.33Å; R321-E323 PolarHBondContact O-N 3.1Å; E323-C326 WeakPolarHBondContact O-CB 3.11Å; E323-C326 PolarHBondContact O-N 2.96Å; E323-G327 PolarHBondContact O-N 2.91Å |
| 324 | R | 97.7 | Very high | 95.5 | Very high | 42 Ų | 42 | 60.2 Ų | 60.2 | 16% | 0.158 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 172.6 | -174.5 | -174.8 | -58.5 | 167.6 | 2.2 | 111.2 | M320 R321 C326 G327 L328 | M320-R324 WeakPolarHBondContact O-CB 3.47Å; M320-R324 PolarHBondContact O-N 2.95Å; R321-R324 WeakPolarHBondContact O-CB 3.28Å; R321-R324 PolarHBondContact O-N 2.96Å; R324-C326 VanDerWaalsContact C-N 3.35Å; R324-C326 PolarHBondContact O-N 2.78Å; R324-G327 PolarHBondContact O-N 3.19Å; R324-G327 VanDerWaalsContact O-N 3.12Å; R324-L328 HydrophobicContact CG-CD1 4.11Å; R324-L328 HydrophobicContact CG-CG 4.4Å; R324-L328 PolarHBondContact O-N 3.2Å |
| 325 | C | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.5 | -47.5 | 173.9 | -72.1 | 0 | 0 | 0 | 0 | 111.5 | V283 S287 R321 S322 G327 L328 A329 L372 T375 | V283-C325 HydrophobicContact CG1-CB 4.09Å; S287-C325 WeakPolarHBondContact OG-CB 3.14Å; R321-C325 PolarHBondContact O-N 3.35Å; R321-C325 PolarHBondContact O-SG 2.89Å; R321-C325 VanDerWaalsContact O-SG 3.38Å; S322-C325 WeakPolarHBondContact O-CB 3.43Å; S322-C325 PolarHBondContact O-N 3.34Å; C325-G327 VanDerWaalsContact C-N 3.3Å; C325-G327 PolarHBondContact O-N 3.36Å; C325-L328 PolarHBondContact O-N 2.98Å; C325-A329 WeakPolarHBondContact O-CB 3.47Å; C325-A329 PolarHBondContact O-N 3.41Å; C325-L372 HydrophobicContact CB-CD1 3.81Å; C325-L372 VanDerWaalsContact O-CD1 3.28Å; C325-L372 WeakPolarHBondContact O-CD1 3.46Å; C325-T375 VanDerWaalsContact SG-CG2 3.57Å |
| 326 | C | 98.7 | Very high | 96.8 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.1 | -39.7 | 175 | -69.8 | 0 | 0 | 0 | 0 | 112.6 | H284 S322 E323 R324 R330 | H284-C326 PolarHBondContact CD2-O 3.48Å; H284-C326 VanDerWaalsContact CD2-O 3.23Å; S322-C326 PolarHBondContact O-N 2.92Å; S322-C326 PolarHBondContact O-SG 3.26Å; E323-C326 WeakPolarHBondContact O-CB 3.11Å; E323-C326 PolarHBondContact O-N 2.96Å; R324-C326 VanDerWaalsContact C-N 3.35Å; R324-C326 PolarHBondContact O-N 2.78Å; C326-R330 WeakPolarHBondContact O-CB 3.35Å; C326-R330 PolarHBondContact O-N 3.35Å |
| 327 | G | 98.4 | Very high | 97.2 | Very high | 33 Ų | 33 | 46.9 Ų | 46.9 | 34% | 0.34 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64 | -53.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E323 R324 C325 R330 F331 | E323-G327 PolarHBondContact O-N 2.91Å; R324-G327 PolarHBondContact O-N 3.19Å; R324-G327 VanDerWaalsContact O-N 3.12Å; C325-G327 VanDerWaalsContact C-N 3.3Å; C325-G327 PolarHBondContact O-N 3.36Å; G327-R330 PolarHBondContact O-N 3.31Å; G327-F331 PolarHBondContact O-N 2.92Å; G327-F331 VanDerWaalsContact O-N 3.11Å |
| 328 | L | 98.4 | Very high | 97.6 | Very high | 18 Ų | 18 | 42.2 Ų | 42.2 | 9% | 0.094 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 178.8 | -67.9 | 175 | 0 | 0 | 0 | 111.6 | L15 Y19 R324 C325 R330 F331 L332 T368 A371 L372 | L15-L328 HydrophobicContact CD2-CD2 4.2Å; Y19-L328 HydrophobicContact CD2-CD2 4.43Å; R324-L328 HydrophobicContact CG-CD1 4.11Å; R324-L328 HydrophobicContact CG-CG 4.4Å; R324-L328 PolarHBondContact O-N 3.2Å; C325-L328 PolarHBondContact O-N 2.98Å; L328-R330 VanDerWaalsContact C-N 3.33Å; L328-R330 PolarHBondContact O-N 3.43Å; L328-F331 WeakPolarHBondContact O-CB 3.43Å; L328-F331 PolarHBondContact O-N 3.38Å; L328-L332 PolarHBondContact O-N 3.2Å; L328-T368 HydrophobicContact CB-CG2 3.98Å; L328-T368 HydrophobicContact CD2-CG2 4.24Å; L328-T368 VanDerWaalsContact O-CG2 3.29Å; L328-T368 WeakPolarHBondContact O-CG2 3.35Å; L328-A371 HydrophobicContact CD1-CB 3.97Å; L328-L372 HydrophobicContact CB-CB 4.33Å; L328-L372 HydrophobicContact CB-CD1 4.19Å; L328-L372 HydrophobicContact CD1-CB 4.49Å |
| 329 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61 | -41.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G280 H284 C325 F331 L332 I333 L372 | G280-A329 VanDerWaalsContact O-CB 3.24Å; G280-A329 WeakPolarHBondContact O-CB 3.36Å; H284-A329 HydrophobicContact CB-CB 3.74Å; C325-A329 WeakPolarHBondContact O-CB 3.47Å; C325-A329 PolarHBondContact O-N 3.41Å; A329-F331 VanDerWaalsContact C-N 3.35Å; A329-L332 PolarHBondContact O-N 3.4Å; A329-I333 WeakPolarHBondContact O-CD1 3.26Å; A329-I333 VanDerWaalsContact O-CG1 3.23Å; A329-I333 WeakPolarHBondContact O-CG1 3.33Å; A329-I333 PolarHBondContact O-N 3.03Å; A329-L372 HydrophobicContact CB-CD1 4.15Å; A329-L372 HydrophobicContact CB-CD2 4.05Å |
| 330 | R | 98.6 | Very high | 97.9 | Very high | 123 Ų | 123 | 44 Ų | 44 | 46% | 0.464 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.3 | -40.4 | 176.8 | -171.7 | -178.7 | -50.8 | 110.8 | 14.4 | 111.8 | H284 C326 G327 L328 I333 N334 | H284-R330 PolarHBondContact NE2-NH2 3.39Å; H284-R330 VanDerWaalsContact NE2-NH2 3.12Å; C326-R330 WeakPolarHBondContact O-CB 3.35Å; C326-R330 PolarHBondContact O-N 3.35Å; G327-R330 PolarHBondContact O-N 3.31Å; L328-R330 VanDerWaalsContact C-N 3.33Å; L328-R330 PolarHBondContact O-N 3.43Å; R330-I333 PolarHBondContact O-N 3.46Å; R330-N334 PolarHBondContact O-N 2.93Å; R330-N334 PolarHBondContact O-ND2 3.11Å |
| 331 | F | 98.3 | Very high | 98.1 | Very high | 85 Ų | 85 | 46.4 Ų | 46.4 | 37% | 0.373 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.1 | -50.7 | 174 | 177.2 | -108 | 0 | 0 | 0 | 110.6 | G327 L328 A329 I333 N334 L335 E364 T368 | G327-F331 PolarHBondContact O-N 2.92Å; G327-F331 VanDerWaalsContact O-N 3.11Å; L328-F331 WeakPolarHBondContact O-CB 3.43Å; L328-F331 PolarHBondContact O-N 3.38Å; A329-F331 VanDerWaalsContact C-N 3.35Å; F331-I333 PolarHBondContact O-N 3.29Å; F331-N334 PolarHBondContact O-N 3.43Å; F331-N334 VanDerWaalsContact O-N 3.11Å; F331-L335 HydrophobicContact CD1-CD1 4.37Å; F331-L335 HydrophobicContact CE1-CD1 3.89Å; F331-L335 HydrophobicContact CE1-CD2 4.41Å; F331-L335 HydrophobicContact CE1-CG 4.42Å; F331-L335 HydrophobicContact CE2-CD2 4.27Å; F331-L335 HydrophobicContact CZ-CD1 4.28Å; F331-L335 HydrophobicContact CZ-CD2 4Å; F331-L335 HydrophobicContact CZ-CG 4.49Å; F331-L335 PolarHBondContact O-N 2.86Å; F331-E364 HydrophobicContact CE1-CB 4.2Å; F331-E364 HydrophobicContact CZ-CB 4.4Å; F331-E364 WeakPolarHBondContact CZ-OE2 3.42Å; F331-T368 HydrophobicContact CD1-CG2 3.94Å; F331-T368 WeakPolarHBondContact CD1-OG1 3.41Å; F331-T368 WeakPolarHBondContact CE1-OG1 3.34Å |
| 332 | L | 97.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58 | -44.2 | 179.3 | -173.4 | 59.9 | 0 | 0 | 0 | 113.5 | L276 L328 A329 N334 L335 A365 T368 T369 L372 | L276-L332 HydrophobicContact CB-CD1 4Å; L276-L332 HydrophobicContact CB-CD2 4.23Å; L276-L332 HydrophobicContact CB-CG 4.4Å; L276-L332 WeakPolarHBondContact O-CD2 3.39Å; L328-L332 PolarHBondContact O-N 3.2Å; A329-L332 PolarHBondContact O-N 3.4Å; L332-N334 VanDerWaalsContact C-N 3.26Å; L332-N334 PolarHBondContact O-N 2.86Å; L332-L335 HydrophobicContact CD1-CD1 4.37Å; L332-L335 WeakPolarHBondContact O-CB 3.5Å; L332-L335 PolarHBondContact O-N 3.25Å; L332-L335 VanDerWaalsContact O-N 3.12Å; L332-A365 HydrophobicContact CD1-CB 4.1Å; L332-T368 HydrophobicContact CB-CG2 4.12Å; L332-T369 HydrophobicContact CD2-CG2 4.36Å; L332-T369 VanDerWaalsContact CD2-OG1 3.25Å; L332-T369 WeakPolarHBondContact CD2-OG1 3.37Å; L332-L372 HydrophobicContact CD2-CD2 4.47Å |
| 333 | I | 98.4 | Very high | 98.2 | Very high | 60 Ų | 60 | 48.2 Ų | 48.2 | 31% | 0.308 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.1 | -37.2 | 178 | -67.9 | 160.8 | 0 | 0 | 0 | 111.3 | A281 A329 R330 F331 L335 I336 | A281-I333 HydrophobicContact CB-CD1 4.31Å; A329-I333 WeakPolarHBondContact O-CD1 3.26Å; A329-I333 VanDerWaalsContact O-CG1 3.23Å; A329-I333 WeakPolarHBondContact O-CG1 3.33Å; A329-I333 PolarHBondContact O-N 3.03Å; R330-I333 PolarHBondContact O-N 3.46Å; F331-I333 PolarHBondContact O-N 3.29Å; I333-L335 VanDerWaalsContact C-N 3.25Å; I333-L335 PolarHBondContact O-N 3.37Å; I333-I336 PolarHBondContact O-N 3.24Å |
| 334 | N | 98.2 | Very high | 98.2 | Very high | 109 Ų | 109 | 47.9 Ų | 47.9 | 58% | 0.583 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -6 | -179.9 | -75.2 | -72.5 | 0 | 0 | 0 | 113.9 | R330 F331 L332 | R330-N334 PolarHBondContact O-N 2.93Å; R330-N334 PolarHBondContact O-ND2 3.11Å; F331-N334 PolarHBondContact O-N 3.43Å; F331-N334 VanDerWaalsContact O-N 3.11Å; L332-N334 VanDerWaalsContact C-N 3.26Å; L332-N334 PolarHBondContact O-N 2.86Å |
| 335 | L | 98 | Very high | 98.2 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 10% | 0.099 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -16.6 | 173.2 | -62.3 | -177.9 | 0 | 0 | 0 | 112.9 | L273 F331 L332 I333 N338 C339 L361 A365 | L273-L335 HydrophobicContact CD2-CB 4.49Å; F331-L335 HydrophobicContact CD1-CD1 4.37Å; F331-L335 HydrophobicContact CE1-CD1 3.89Å; F331-L335 HydrophobicContact CE1-CD2 4.41Å; F331-L335 HydrophobicContact CE1-CG 4.42Å; F331-L335 HydrophobicContact CE2-CD2 4.27Å; F331-L335 HydrophobicContact CZ-CD1 4.28Å; F331-L335 HydrophobicContact CZ-CD2 4Å; F331-L335 HydrophobicContact CZ-CG 4.49Å; F331-L335 PolarHBondContact O-N 2.86Å; L332-L335 HydrophobicContact CD1-CD1 4.37Å; L332-L335 WeakPolarHBondContact O-CB 3.5Å; L332-L335 PolarHBondContact O-N 3.25Å; L332-L335 VanDerWaalsContact O-N 3.12Å; I333-L335 VanDerWaalsContact C-N 3.25Å; I333-L335 PolarHBondContact O-N 3.37Å; L335-N338 WeakPolarHBondContact O-CB 3.4Å; L335-N338 PolarHBondContact O-N 3.1Å; L335-C339 PolarHBondContact O-N 3.39Å; L335-L361 HydrophobicContact CB-CD1 3.87Å; L335-L361 HydrophobicContact CD1-CD1 4.42Å; L335-L361 HydrophobicContact CD2-CD1 4.03Å; L335-L361 HydrophobicContact CG-CD1 4.32Å; L335-A365 HydrophobicContact CD1-CB 3.85Å |
| 336 | I | 98.2 | Very high | 98.1 | Very high | 34 Ų | 34 | 52.6 Ų | 52.6 | 17% | 0.174 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.1 | -47.6 | -177.8 | -54.3 | 170.6 | 0 | 0 | 0 | 112.2 | I333 N338 C339 F340 | I333-I336 PolarHBondContact O-N 3.24Å; I336-N338 PolarHBondContact O-N 3.03Å; I336-C339 PolarHBondContact O-N 3.13Å; I336-C339 PolarHBondContact O-SG 2.97Å; I336-F340 HydrophobicContact CG2-CD2 4.09Å; I336-F340 HydrophobicContact CG2-CE2 3.52Å; I336-F340 HydrophobicContact CG2-CZ 3.83Å; I336-F340 PolarHBondContact O-N 3.49Å |
| 337 | P | 98.2 | Very high | 98 | Very high | 64 Ų | 64 | 53.7 Ų | 53.7 | 42% | 0.416 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.8 | -31.6 | 176.5 | -24.1 | 35.9 | 0 | 0 | 0 | 112.7 | F340 H341 | P337-F340 PolarHBondContact O-N 3.31Å; P337-H341 PolarHBondContact O-CD2 3.35Å; P337-H341 PolarHBondContact O-N 3.08Å |
| 338 | N | 98 | Very high | 98 | Very high | 50 Ų | 50 | 61.9 Ų | 61.9 | 27% | 0.267 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61 | -46.6 | 177.6 | 177.2 | -42.2 | 0 | 0 | 0 | 111.6 | L335 I336 F340 H341 T342 N357 L361 | L335-N338 WeakPolarHBondContact O-CB 3.4Å; L335-N338 PolarHBondContact O-N 3.1Å; I336-N338 PolarHBondContact O-N 3.03Å; N338-F340 VanDerWaalsContact C-N 3.34Å; N338-F340 PolarHBondContact O-N 2.95Å; N338-H341 PolarHBondContact O-N 3.27Å; N338-T342 PolarHBondContact O-N 3.41Å; N338-T342 PolarHBondContact O-OG1 2.93Å; N338-N357 PolarHBondContact ND2-OD1 3.14Å; N338-N357 VanDerWaalsContact ND2-OD1 3.07Å; N338-N357 PolarHBondContact OD1-ND2 2.88Å; N338-N357 PolarHBondContact OD1-OD1 3.36Å; N338-N357 VanDerWaalsContact OD1-OD1 3.12Å; N338-L361 HydrophobicContact CB-CD1 4.12Å; N338-L361 WeakPolarHBondContact OD1-CD2 3.16Å |
| 339 | C | 96.9 | Very high | 98 | Very high | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.02 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 178.6 | 67.1 | 0 | 0 | 0 | 0 | 112.2 | C270 L273 L335 I336 T342 E343 L361 | C270-C339 VanDerWaalsContact SG-C 3.6Å; C270-C339 PolarHBondContact SG-O 3.31Å; L273-C339 HydrophobicContact CB-CB 4.43Å; L273-C339 HydrophobicContact CD2-CB 3.75Å; L335-C339 PolarHBondContact O-N 3.39Å; I336-C339 PolarHBondContact O-N 3.13Å; I336-C339 PolarHBondContact O-SG 2.97Å; C339-T342 WeakPolarHBondContact O-CB 3.34Å; C339-T342 PolarHBondContact O-N 2.83Å; C339-E343 PolarHBondContact O-N 3.14Å; C339-L361 HydrophobicContact CB-CD2 4.04Å |
| 340 | F | 98.4 | Very high | 98 | Very high | 99 Ų | 99 | 67.9 Ų | 67.9 | 43% | 0.434 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 175.4 | -66.5 | -31.4 | 0 | 0 | 0 | 112.5 | C270 C274 I336 P337 N338 T342 E343 A344 | C270-F340 HydrophobicContact CB-CD1 3.99Å; C270-F340 HydrophobicContact CB-CE1 3.87Å; C274-F340 WeakPolarHBondContact SG-CZ 3.41Å; I336-F340 HydrophobicContact CG2-CD2 4.09Å; I336-F340 HydrophobicContact CG2-CE2 3.52Å; I336-F340 HydrophobicContact CG2-CZ 3.83Å; I336-F340 PolarHBondContact O-N 3.49Å; P337-F340 PolarHBondContact O-N 3.31Å; N338-F340 VanDerWaalsContact C-N 3.34Å; N338-F340 PolarHBondContact O-N 2.95Å; F340-T342 VanDerWaalsContact C-N 3.3Å; F340-T342 PolarHBondContact O-N 3.27Å; F340-E343 PolarHBondContact O-N 3.25Å; F340-A344 WeakPolarHBondContact O-CB 3.5Å; F340-A344 PolarHBondContact O-N 3.37Å |
| 341 | H | 98.3 | Very high | 98 | Very high | 128 Ų | 128 | 64.4 Ų | 64.4 | 59% | 0.593 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.5 | -38.9 | 175 | -76.5 | -58.1 | 0 | 0 | 0 | 112 | P337 N338 A344 I345 | P337-H341 PolarHBondContact O-CD2 3.35Å; P337-H341 PolarHBondContact O-N 3.08Å; N338-H341 PolarHBondContact O-N 3.27Å; H341-A344 PolarHBondContact O-N 3.37Å; H341-I345 WeakPolarHBondContact O-CG1 3.49Å; H341-I345 PolarHBondContact O-N 2.98Å |
| 342 | T | 98.1 | Very high | 97.9 | Very high | 8 Ų | 8 | 65.9 Ų | 65.9 | 5% | 0.049 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 177.7 | -58.6 | 0 | 0 | 0 | 0 | 112 | N338 C339 F340 D354 N357 | N338-T342 PolarHBondContact O-N 3.41Å; N338-T342 PolarHBondContact O-OG1 2.93Å; C339-T342 WeakPolarHBondContact O-CB 3.34Å; C339-T342 PolarHBondContact O-N 2.83Å; F340-T342 VanDerWaalsContact C-N 3.3Å; F340-T342 PolarHBondContact O-N 3.27Å; T342-D354 HydrophobicContact CG2-CB 3.94Å; T342-N357 PolarHBondContact OG1-ND2 2.92Å |
| 343 | E | 97.8 | Very high | 97.9 | Very high | 45 Ų | 45 | 69.1 Ų | 69.1 | 21% | 0.21 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.6 | -43 | 176.7 | 175 | 66.3 | 178 | 0 | 0 | 111.8 | T265 R266 M267 C339 F340 I345 Q346 | T265-E343 PolarHBondContact OG1-OE1 3.21Å; T265-E343 VanDerWaalsContact OG1-OE1 3.05Å; R266-E343 VanDerWaalsContact C-OE2 3.28Å; R266-E343 WeakPolarHBondContact CA-OE2 3.29Å; R266-E343 HydrophobicContact CB-CB 4.32Å; R266-E343 WeakPolarHBondContact CB-OE2 3.32Å; R266-E343 PolarHBondContact N-OE2 2.85Å; M267-E343 HydrophobicContact CB-CG 4.45Å; M267-E343 HydrophobicContact CE-CG 3.79Å; M267-E343 VanDerWaalsContact N-CD 3.34Å; M267-E343 PolarHBondContact N-OE2 3.41Å; M267-E343 VanDerWaalsContact N-OE2 3.11Å; C339-E343 PolarHBondContact O-N 3.14Å; F340-E343 PolarHBondContact O-N 3.25Å; E343-I345 PolarHBondContact O-N 3.47Å; E343-I345 VanDerWaalsContact O-N 3.12Å; E343-Q346 PolarHBondContact O-N 3.46Å; E343-Q346 VanDerWaalsContact O-N 3.17Å |
| 344 | A | 98.2 | Very high | 97.9 | Very high | 82 Ų | 82 | 66.3 Ų | 66.3 | 68% | 0.678 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.1 | -22.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F340 H341 | F340-A344 WeakPolarHBondContact O-CB 3.5Å; F340-A344 PolarHBondContact O-N 3.37Å; H341-A344 PolarHBondContact O-N 3.37Å |
| 345 | I | 97.5 | Very high | 97.9 | Very high | 104 Ų | 104 | 62.2 Ų | 62.2 | 53% | 0.533 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 6.2 | -178.8 | 71.3 | -177.2 | 0 | 0 | 0 | 113.4 | H341 E343 G347 D353 | H341-I345 WeakPolarHBondContact O-CG1 3.49Å; H341-I345 PolarHBondContact O-N 2.98Å; E343-I345 PolarHBondContact O-N 3.47Å; E343-I345 VanDerWaalsContact O-N 3.12Å; I345-G347 PolarHBondContact O-N 2.87Å; I345-D353 VanDerWaalsContact CD1-OD2 3.23Å; I345-D353 WeakPolarHBondContact CD1-OD2 3.33Å; I345-D353 WeakPolarHBondContact CG1-OD2 3.38Å |
| 346 | Q | 97.8 | Very high | 97.8 | Very high | 36 Ų | 36 | 65.2 Ų | 65.2 | 17% | 0.168 | 35% | 0.351 | C | S | . | . | trans | -62.9 | 108.6 | 172.1 | -82.8 | -64.4 | -65.9 | 0 | 0 | 110 | R266 E343 T351 | R266-Q346 HydrophobicContact CG-CG 4.25Å; E343-Q346 PolarHBondContact O-N 3.46Å; E343-Q346 VanDerWaalsContact O-N 3.17Å; Q346-T351 PolarHBondContact NE2-O 3.45Å; Q346-T351 PolarHBondContact NE2-OG1 3.33Å; Q346-T351 PolarHBondContact OE1-O 3.45Å | ||
| 347 | G | 96.8 | Very high | 97.8 | Very high | 25 Ų | 25 | 65.4 Ų | 65.4 | 26% | 0.258 | 35% | 0.352 | S | S | . | . | trans | -80.3 | 125.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I345 E349 R350 T351 | I345-G347 PolarHBondContact O-N 2.87Å; G347-E349 PolarHBondContact O-N 3.36Å; G347-R350 CarbonylContact O-C 3.28Å; G347-R350 PolarHBondContact O-N 3.31Å; G347-T351 PolarHBondContact N-OG1 3.19Å | ||
| 348 | F | 97.8 | Very high | 97.8 | Very high | 205 Ų | 205 | 63 Ų | 63 | 90% | 0.899 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | -128.2 | 175.4 | -57 | -77.7 | 0 | 0 | 0 | 112.7 | ||
| 349 | E | 98.3 | Very high | 97.8 | Very high | 104 Ų | 104 | 66.3 Ų | 66.3 | 49% | 0.486 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -19.4 | -177.3 | -72.4 | 68.7 | -139.9 | 0 | 0 | 114.8 | G261 Q262 G347 | G261-E349 WeakPolarHBondContact CA-O 3.47Å; Q262-E349 PolarHBondContact N-O 2.82Å; G347-E349 PolarHBondContact O-N 3.36Å |
| 350 | R | 98.2 | Very high | 97.8 | Very high | 40 Ų | 40 | 71.3 Ų | 71.3 | 15% | 0.151 | 37% | 0.369 | C | S | . | . | trans | 173.7 | 141.8 | 170.4 | -180 | -165.1 | -173.2 | 168.6 | 3.6 | 111.2 | Q262 T263 G347 L352 D354 | Q262-R350 HydrophobicContact CB-CB 3.79Å; T263-R350 HydrophobicContact CG2-CG 3.93Å; G347-R350 CarbonylContact O-C 3.28Å; G347-R350 PolarHBondContact O-N 3.31Å; R350-L352 VanDerWaalsContact NH2-CD1 3.3Å; R350-D354 IonicContact NE-OD1 2.88Å | ||
| 351 | T | 97.9 | Very high | 97.8 | Very high | 50 Ų | 50 | 66.8 Ų | 66.8 | 31% | 0.307 | 35% | 0.35 | S | S | . | . | trans | -118.8 | 147.2 | 157 | 50.2 | 0 | 0 | 0 | 0 | 111 | Q346 G347 D353 D354 | Q346-T351 PolarHBondContact NE2-O 3.45Å; Q346-T351 PolarHBondContact NE2-OG1 3.33Å; Q346-T351 PolarHBondContact OE1-O 3.45Å; G347-T351 PolarHBondContact N-OG1 3.19Å; T351-D353 VanDerWaalsContact C-N 3.31Å; T351-D353 VanDerWaalsContact C-OD1 3.28Å; T351-D353 WeakPolarHBondContact CB-OD1 3.49Å; T351-D353 PolarHBondContact O-N 2.92Å; T351-D353 PolarHBondContact OG1-OD1 2.94Å; T351-D354 VanDerWaalsContact O-OD1 3.07Å | ||
| 352 | L | 97.6 | Very high | 97.8 | Very high | 117 Ų | 117 | 61 Ų | 61 | 61% | 0.613 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -2.8 | -168.4 | -165 | 63.3 | 0 | 0 | 0 | 114.4 | R350 D354 S355 | R350-L352 VanDerWaalsContact NH2-CD1 3.3Å; L352-D354 WeakPolarHBondContact CA-OD1 3.33Å; L352-D354 PolarHBondContact O-N 3.44Å; L352-S355 VanDerWaalsContact O-CB 3.3Å; L352-S355 WeakPolarHBondContact O-CB 3.28Å; L352-S355 PolarHBondContact O-N 3.07Å |
| 353 | D | 97.6 | Very high | 97.8 | Very high | 70 Ų | 70 | 62 Ų | 62 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.1 | -16.3 | 175.4 | 59.4 | -56.4 | 0 | 0 | 0 | 113 | I345 T351 S355 | I345-D353 VanDerWaalsContact CD1-OD2 3.23Å; I345-D353 WeakPolarHBondContact CD1-OD2 3.33Å; I345-D353 WeakPolarHBondContact CG1-OD2 3.38Å; T351-D353 VanDerWaalsContact C-N 3.31Å; T351-D353 VanDerWaalsContact C-OD1 3.28Å; T351-D353 WeakPolarHBondContact CB-OD1 3.49Å; T351-D353 PolarHBondContact O-N 2.92Å; T351-D353 PolarHBondContact OG1-OD1 2.94Å; D353-S355 VanDerWaalsContact C-N 3.34Å |
| 354 | D | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.3 | -34.3 | 168.4 | 72.3 | -35.1 | 0 | 0 | 0 | 113.3 | R266 T342 R350 T351 L352 N357 R358 | R266-D354 IonicContact CZ-OD2 3.32Å; R266-D354 IonicContact NE-OD2 3.15Å; R266-D354 PolarHBondContact NE-OD2 2.72Å; R266-D354 IonicContact NH2-OD2 3.16Å; R266-D354 PolarHBondContact NH2-OD2 3.47Å; T342-D354 HydrophobicContact CG2-CB 3.94Å; R350-D354 IonicContact NE-OD1 2.88Å; T351-D354 VanDerWaalsContact O-OD1 3.07Å; L352-D354 WeakPolarHBondContact CA-OD1 3.33Å; L352-D354 PolarHBondContact O-N 3.44Å; D354-N357 PolarHBondContact O-N 2.98Å; D354-R358 VanDerWaalsContact O-CB 3.27Å; D354-R358 WeakPolarHBondContact O-CB 3.47Å; D354-R358 WeakPolarHBondContact O-CG 3.41Å; D354-R358 PolarHBondContact O-N 2.75Å |
| 355 | S | 97.8 | Very high | 97.8 | Very high | 23 Ų | 23 | 58.2 Ų | 58.2 | 16% | 0.161 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65 | -51.7 | -165.2 | 177.9 | 0 | 0 | 0 | 0 | 112.8 | L352 D353 N357 R359 | L352-S355 VanDerWaalsContact O-CB 3.3Å; L352-S355 WeakPolarHBondContact O-CB 3.28Å; L352-S355 PolarHBondContact O-N 3.07Å; D353-S355 VanDerWaalsContact C-N 3.34Å; S355-N357 VanDerWaalsContact C-N 3.33Å; S355-N357 PolarHBondContact O-N 3.48Å; S355-R359 VanDerWaalsContact O-CD 3.32Å; S355-R359 WeakPolarHBondContact O-CD 3.38Å; S355-R359 WeakPolarHBondContact O-CG 3.45Å; S355-R359 PolarHBondContact O-N 2.98Å; S355-R359 PolarHBondContact OG-NE 3.27Å |
| 356 | S | 97.1 | Very high | 97.8 | Very high | 82 Ų | 82 | 53.3 Ų | 53.3 | 57% | 0.573 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -65.7 | -39.2 | -179.4 | 52.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 357 | N | 98.1 | Very high | 97.9 | Very high | 38 Ų | 38 | 52.4 Ų | 52.4 | 20% | 0.203 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.3 | -51.3 | 178.9 | -170.6 | 6.6 | 0 | 0 | 0 | 111.7 | N338 T342 D354 S355 R359 L360 L361 | N338-N357 PolarHBondContact ND2-OD1 3.14Å; N338-N357 VanDerWaalsContact ND2-OD1 3.07Å; N338-N357 PolarHBondContact OD1-ND2 2.88Å; N338-N357 PolarHBondContact OD1-OD1 3.36Å; N338-N357 VanDerWaalsContact OD1-OD1 3.12Å; T342-N357 PolarHBondContact OG1-ND2 2.92Å; D354-N357 PolarHBondContact O-N 2.98Å; S355-N357 VanDerWaalsContact C-N 3.33Å; S355-N357 PolarHBondContact O-N 3.48Å; N357-R359 PolarHBondContact O-N 3.23Å; N357-L360 PolarHBondContact O-N 3.11Å; N357-L361 VanDerWaalsContact O-CB 3.31Å; N357-L361 WeakPolarHBondContact O-CB 3.17Å; N357-L361 PolarHBondContact O-N 3.44Å |
| 358 | R | 98.2 | Very high | 97.9 | Very high | 14 Ų | 14 | 51.2 Ų | 51.2 | 5% | 0.053 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.5 | -31.8 | -179.8 | -71.8 | 173.6 | 67.6 | -102.3 | -12.1 | 112.9 | D136 Y264 D269 D354 L360 L362 | D136-R358 IonicContact OD2-CZ 2.71Å; D136-R358 IonicContact OD2-NH1 3.76Å; D136-R358 PolarHBondContact OD2-NH1 3.43Å; D136-R358 VanDerWaalsContact OD2-NH1 3.15Å; D136-R358 IonicContact OD2-NH2 2.63Å; D136-R358 PolarHBondContact OD2-NH2 3.35Å; Y264-R358 PolarHBondContact OH-NH2 3.04Å; D269-R358 WeakPolarHBondContact OD2-CD 3.31Å; D269-R358 IonicContact OD2-CZ 3.76Å; D269-R358 IonicContact OD2-NE 2.76Å; D269-R358 PolarHBondContact OD2-NE 3.47Å; D269-R358 IonicContact OD2-NH2 3.96Å; D354-R358 VanDerWaalsContact O-CB 3.27Å; D354-R358 WeakPolarHBondContact O-CB 3.47Å; D354-R358 WeakPolarHBondContact O-CG 3.41Å; D354-R358 PolarHBondContact O-N 2.75Å; R358-L360 PolarHBondContact O-N 3.49Å; R358-L362 HydrophobicContact CB-CD1 4.29Å; R358-L362 HydrophobicContact CB-CG 4.41Å; R358-L362 PolarHBondContact O-N 2.85Å |
| 359 | R | 97.3 | Very high | 98 | Very high | 120 Ų | 120 | 41.4 Ų | 41.4 | 45% | 0.453 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.2 | -25.1 | 174.3 | -73.8 | 167.5 | -168.5 | -101.3 | 2.2 | 113.6 | D103 S355 N357 P363 | D103-R359 IonicContact OD2-CZ 3.28Å; D103-R359 IonicContact OD2-NH1 2.85Å; D103-R359 IonicContact OD2-NH2 3.32Å; D103-R359 PolarHBondContact OD2-NH2 2.86Å; S355-R359 VanDerWaalsContact O-CD 3.32Å; S355-R359 WeakPolarHBondContact O-CD 3.38Å; S355-R359 WeakPolarHBondContact O-CG 3.45Å; S355-R359 PolarHBondContact O-N 2.98Å; S355-R359 PolarHBondContact OG-NE 3.27Å; N357-R359 PolarHBondContact O-N 3.23Å; R359-P363 WeakPolarHBondContact O-CD 3.35Å; R359-P363 WeakPolarHBondContact O-CG 3.42Å |
| 360 | L | 97.1 | Very high | 98 | Very high | 107 Ų | 107 | 36.5 Ų | 36.5 | 56% | 0.56 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -91.9 | -52.3 | 171.6 | -60.9 | 172.5 | 0 | 0 | 0 | 110.1 | N357 R358 L362 P363 E364 | N357-L360 PolarHBondContact O-N 3.11Å; R358-L360 PolarHBondContact O-N 3.49Å; L360-L362 PolarHBondContact O-N 3.38Å; L360-P363 WeakPolarHBondContact O-CD 3.48Å; L360-E364 VanDerWaalsContact O-CB 3.24Å; L360-E364 WeakPolarHBondContact O-CB 3.36Å; L360-E364 VanDerWaalsContact O-CG 3.25Å; L360-E364 WeakPolarHBondContact O-CG 3.48Å; L360-E364 PolarHBondContact O-N 3.44Å |
| 361 | L | 97.8 | Very high | 98 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.6 | -51.8 | -169.8 | -177.2 | 66.8 | 0 | 0 | 0 | 113.3 | L273 L335 N338 C339 N357 A365 | L273-L361 HydrophobicContact CD2-CD1 3.57Å; L273-L361 HydrophobicContact CD2-CD2 3.69Å; L273-L361 HydrophobicContact CD2-CG 3.54Å; L335-L361 HydrophobicContact CB-CD1 3.87Å; L335-L361 HydrophobicContact CD1-CD1 4.42Å; L335-L361 HydrophobicContact CD2-CD1 4.03Å; L335-L361 HydrophobicContact CG-CD1 4.32Å; N338-L361 HydrophobicContact CB-CD1 4.12Å; N338-L361 WeakPolarHBondContact OD1-CD2 3.16Å; C339-L361 HydrophobicContact CB-CD2 4.04Å; N357-L361 VanDerWaalsContact O-CB 3.31Å; N357-L361 WeakPolarHBondContact O-CB 3.17Å; N357-L361 PolarHBondContact O-N 3.44Å; L361-A365 WeakPolarHBondContact O-CB 3.34Å; L361-A365 PolarHBondContact O-N 2.99Å |
| 362 | L | 98.2 | Very high | 98 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.5 | -53.8 | -174.1 | -57 | 177.7 | 0 | 0 | 0 | 111.1 | M140 D269 L273 R358 L360 E364 A365 F366 | M140-L362 HydrophobicContact SD-CD1 4.27Å; M140-L362 HydrophobicContact SD-CD2 4.17Å; D269-L362 HydrophobicContact CB-CD2 4.24Å; L273-L362 HydrophobicContact CD1-CD2 3.87Å; R358-L362 HydrophobicContact CB-CD1 4.29Å; R358-L362 HydrophobicContact CB-CG 4.41Å; R358-L362 PolarHBondContact O-N 2.85Å; L360-L362 PolarHBondContact O-N 3.38Å; L362-E364 PolarHBondContact O-N 3.2Å; L362-A365 PolarHBondContact O-N 3.04Å; L362-F366 VanDerWaalsContact O-CD2 3.31Å; L362-F366 WeakPolarHBondContact O-CD2 3.49Å; L362-F366 PolarHBondContact O-N 2.92Å |
| 363 | P | 97.7 | Very high | 98 | Very high | 30 Ų | 30 | 26.7 Ų | 26.7 | 20% | 0.195 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.5 | -45 | 178.4 | -22.6 | 34.7 | 0 | 0 | 0 | 112.5 | F28 R359 L360 A365 F366 L367 | F28-P363 HydrophobicContact CB-CB 4.16Å; F28-P363 HydrophobicContact CD1-CB 3.82Å; F28-P363 HydrophobicContact CD1-CG 3.74Å; F28-P363 HydrophobicContact CE1-CB 4.47Å; F28-P363 HydrophobicContact CE1-CG 4.33Å; F28-P363 HydrophobicContact CG-CB 4.02Å; F28-P363 HydrophobicContact CG-CG 4.39Å; R359-P363 WeakPolarHBondContact O-CD 3.35Å; R359-P363 WeakPolarHBondContact O-CG 3.42Å; L360-P363 WeakPolarHBondContact O-CD 3.48Å; P363-A365 PolarHBondContact O-N 2.94Å; P363-F366 PolarHBondContact O-N 3.05Å; P363-L367 HydrophobicContact CB-CD1 4.37Å; P363-L367 VanDerWaalsContact O-CB 3.24Å; P363-L367 WeakPolarHBondContact O-CB 3.36Å; P363-L367 WeakPolarHBondContact O-CD1 3.2Å; P363-L367 WeakPolarHBondContact O-CG 3.44Å; P363-L367 PolarHBondContact O-N 3.15Å |
| 364 | E | 97.6 | Very high | 97.9 | Very high | 48 Ų | 48 | 24 Ų | 24 | 22% | 0.224 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.7 | -36.2 | -177.7 | -68.7 | -168.1 | 164.3 | 0 | 0 | 112.6 | L15 F331 L360 L362 T368 | L15-E364 HydrophobicContact CD1-CB 4.07Å; L15-E364 HydrophobicContact CD1-CG 4.12Å; F331-E364 HydrophobicContact CE1-CB 4.2Å; F331-E364 HydrophobicContact CZ-CB 4.4Å; F331-E364 WeakPolarHBondContact CZ-OE2 3.42Å; L360-E364 VanDerWaalsContact O-CB 3.24Å; L360-E364 WeakPolarHBondContact O-CB 3.36Å; L360-E364 VanDerWaalsContact O-CG 3.25Å; L360-E364 WeakPolarHBondContact O-CG 3.48Å; L360-E364 PolarHBondContact O-N 3.44Å; L362-E364 PolarHBondContact O-N 3.2Å; E364-T368 WeakPolarHBondContact O-CB 3.28Å; E364-T368 PolarHBondContact O-N 3.42Å; E364-T368 PolarHBondContact O-OG1 3.49Å |
| 365 | A | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.5 | -47.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L273 L276 L332 L335 L361 L362 P363 T369 | L273-A365 HydrophobicContact CD1-CB 4.37Å; L273-A365 HydrophobicContact CG-CB 4.28Å; L276-A365 HydrophobicContact CD1-CB 3.98Å; L332-A365 HydrophobicContact CD1-CB 4.1Å; L335-A365 HydrophobicContact CD1-CB 3.85Å; L361-A365 WeakPolarHBondContact O-CB 3.34Å; L361-A365 PolarHBondContact O-N 2.99Å; L362-A365 PolarHBondContact O-N 3.04Å; P363-A365 PolarHBondContact O-N 2.94Å; A365-T369 WeakPolarHBondContact O-CB 3.15Å; A365-T369 PolarHBondContact O-N 3.12Å; A365-T369 PolarHBondContact O-OG1 2.71Å |
| 366 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69.5 | -45.2 | -179.9 | -83.2 | -81.8 | 0 | 0 | 0 | 112.5 | M24 F28 M140 A143 I144 L147 V272 L276 L362 P363 T368 T369 D370 | M24-F366 HydrophobicContact SD-CB 4.13Å; F28-F366 HydrophobicContact CD2-CB 4.31Å; F28-F366 HydrophobicContact CE1-CD2 4.29Å; F28-F366 HydrophobicContact CE2-CB 3.34Å; F28-F366 HydrophobicContact CE2-CD1 4.44Å; F28-F366 HydrophobicContact CE2-CD2 4.09Å; F28-F366 AromaticContact CE2-CG 3.73Å; F28-F366 HydrophobicContact CE2-CG 3.73Å; F28-F366 HydrophobicContact CZ-CB 3.59Å; F28-F366 HydrophobicContact CZ-CD1 4.41Å; F28-F366 AromaticContact CZ-CD2 3.41Å; F28-F366 HydrophobicContact CZ-CD2 3.41Å; F28-F366 VanDerWaalsContact CZ-CD2 3.41Å; F28-F366 HydrophobicContact CZ-CE2 4.16Å; F28-F366 AromaticContact CZ-CG 3.55Å; F28-F366 HydrophobicContact CZ-CG 3.55Å; M140-F366 HydrophobicContact CB-CE2 4.31Å; M140-F366 HydrophobicContact CB-CZ 4.1Å; M140-F366 HydrophobicContact CG-CE2 3.77Å; M140-F366 HydrophobicContact CG-CZ 4.07Å; M140-F366 HydrophobicContact SD-CE2 4.32Å; A143-F366 HydrophobicContact CB-CD1 3.37Å; A143-F366 HydrophobicContact CB-CE1 3.5Å; A143-F366 VanDerWaalsContact CB-CE1 3.5Å; A143-F366 HydrophobicContact CB-CG 4.01Å; A143-F366 HydrophobicContact CB-CZ 4.22Å; I144-F366 HydrophobicContact CD1-CZ 4.38Å; I144-F366 HydrophobicContact CG1-CE1 3.66Å; I144-F366 HydrophobicContact CG1-CZ 3.78Å; L147-F366 HydrophobicContact CD1-CD1 3.57Å; L147-F366 HydrophobicContact CD1-CE1 3.9Å; L147-F366 HydrophobicContact CG-CD1 4.46Å; V272-F366 HydrophobicContact CG1-CE1 4.48Å; V272-F366 HydrophobicContact CG1-CE2 3.92Å; V272-F366 HydrophobicContact CG1-CZ 3.53Å; L276-F366 HydrophobicContact CD1-CD1 4.36Å; L276-F366 HydrophobicContact CD1-CD2 4.32Å; L276-F366 HydrophobicContact CD1-CE1 4.36Å; L276-F366 HydrophobicContact CD1-CE2 4.32Å; L276-F366 HydrophobicContact CD1-CG 4.36Å; L276-F366 HydrophobicContact CD1-CZ 4.36Å; L362-F366 VanDerWaalsContact O-CD2 3.31Å; L362-F366 WeakPolarHBondContact O-CD2 3.49Å; L362-F366 PolarHBondContact O-N 2.92Å; P363-F366 PolarHBondContact O-N 3.05Å; F366-T368 VanDerWaalsContact C-N 3.35Å; F366-T368 PolarHBondContact O-N 2.78Å; F366-T369 PolarHBondContact O-N 3.46Å; F366-D370 WeakPolarHBondContact O-CB 3.26Å; F366-D370 PolarHBondContact O-N 3.41Å |
| 367 | L | 98.4 | Very high | 97.9 | Very high | 17 Ų | 17 | 19.5 Ų | 19.5 | 9% | 0.089 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.2 | -39.9 | 176.9 | -68.4 | 168.9 | 0 | 0 | 0 | 111.6 | L15 A20 M24 Q25 P363 A371 | L15-L367 HydrophobicContact CB-CB 4.08Å; L15-L367 HydrophobicContact CB-CD1 4.48Å; L15-L367 HydrophobicContact CD1-CB 4.12Å; A20-L367 HydrophobicContact CB-CB 3.88Å; A20-L367 HydrophobicContact CB-CD2 3.44Å; A20-L367 VanDerWaalsContact CB-CD2 3.44Å; A20-L367 HydrophobicContact CB-CG 4.26Å; M24-L367 HydrophobicContact CB-CD2 4.11Å; M24-L367 HydrophobicContact CG-CD2 3.75Å; M24-L367 HydrophobicContact CG-CG 4.44Å; Q25-L367 HydrophobicContact CB-CD2 4.47Å; Q25-L367 HydrophobicContact CG-CD2 3.82Å; P363-L367 HydrophobicContact CB-CD1 4.37Å; P363-L367 VanDerWaalsContact O-CB 3.24Å; P363-L367 WeakPolarHBondContact O-CB 3.36Å; P363-L367 WeakPolarHBondContact O-CD1 3.2Å; P363-L367 WeakPolarHBondContact O-CG 3.44Å; P363-L367 PolarHBondContact O-N 3.15Å; L367-A371 VanDerWaalsContact O-CB 3.23Å; L367-A371 WeakPolarHBondContact O-CB 3.49Å; L367-A371 PolarHBondContact O-N 2.95Å |
| 368 | T | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.9 | -44.4 | 174.4 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | L15 L328 F331 L332 E364 F366 D370 A371 L372 | L15-T368 WeakPolarHBondContact CD1-OG1 3.42Å; L328-T368 HydrophobicContact CB-CG2 3.98Å; L328-T368 HydrophobicContact CD2-CG2 4.24Å; L328-T368 VanDerWaalsContact O-CG2 3.29Å; L328-T368 WeakPolarHBondContact O-CG2 3.35Å; F331-T368 HydrophobicContact CD1-CG2 3.94Å; F331-T368 WeakPolarHBondContact CD1-OG1 3.41Å; F331-T368 WeakPolarHBondContact CE1-OG1 3.34Å; L332-T368 HydrophobicContact CB-CG2 4.12Å; E364-T368 WeakPolarHBondContact O-CB 3.28Å; E364-T368 PolarHBondContact O-N 3.42Å; E364-T368 PolarHBondContact O-OG1 3.49Å; F366-T368 VanDerWaalsContact C-N 3.35Å; F366-T368 PolarHBondContact O-N 2.78Å; T368-D370 VanDerWaalsContact C-N 3.34Å; T368-A371 PolarHBondContact O-N 2.99Å; T368-L372 WeakPolarHBondContact O-CB 3.05Å; T368-L372 PolarHBondContact O-N 2.89Å |
| 369 | T | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.1 | -41 | -179.8 | -51.5 | 0 | 0 | 0 | 0 | 111.1 | L147 L276 I279 L332 A365 F366 L372 L373 | L147-T369 HydrophobicContact CD1-CG2 3.89Å; L147-T369 HydrophobicContact CD2-CG2 3.99Å; L276-T369 HydrophobicContact CD2-CG2 4.08Å; I279-T369 HydrophobicContact CD1-CG2 4.24Å; I279-T369 HydrophobicContact CG2-CG2 4.21Å; L332-T369 HydrophobicContact CD2-CG2 4.36Å; L332-T369 VanDerWaalsContact CD2-OG1 3.25Å; L332-T369 WeakPolarHBondContact CD2-OG1 3.37Å; A365-T369 WeakPolarHBondContact O-CB 3.15Å; A365-T369 PolarHBondContact O-N 3.12Å; A365-T369 PolarHBondContact O-OG1 2.71Å; F366-T369 PolarHBondContact O-N 3.46Å; T369-L372 PolarHBondContact O-N 2.79Å; T369-L373 HydrophobicContact CG2-CD1 4.06Å; T369-L373 HydrophobicContact CG2-CG 4.47Å; T369-L373 WeakPolarHBondContact O-CB 3.41Å; T369-L373 WeakPolarHBondContact O-CG 3.23Å; T369-L373 PolarHBondContact O-N 3.31Å |
| 370 | D | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 12.6 Ų | 12.6 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62.2 | -51.7 | 176.4 | -175.4 | 69.9 | 0 | 0 | 0 | 111.5 | S21 M24 L147 R150 F366 T368 L372 L373 I374 | S21-D370 VanDerWaalsContact CB-OD2 3.23Å; S21-D370 WeakPolarHBondContact CB-OD2 3.28Å; S21-D370 PolarHBondContact N-OD2 3.31Å; S21-D370 VanDerWaalsContact OG-CG 3.27Å; S21-D370 PolarHBondContact OG-OD1 3.44Å; S21-D370 PolarHBondContact OG-OD2 3.28Å; M24-D370 HydrophobicContact CB-CB 4.07Å; M24-D370 HydrophobicContact CE-CB 4.04Å; M24-D370 HydrophobicContact CG-CB 3.9Å; L147-D370 HydrophobicContact CD2-CB 3.95Å; R150-D370 WeakPolarHBondContact CD-OD1 3.39Å; R150-D370 IonicContact CZ-OD1 3.95Å; R150-D370 IonicContact NE-OD1 2.82Å; R150-D370 PolarHBondContact NE-OD1 3.5Å; R150-D370 IonicContact NH2-OD1 3.75Å; F366-D370 WeakPolarHBondContact O-CB 3.26Å; F366-D370 PolarHBondContact O-N 3.41Å; T368-D370 VanDerWaalsContact C-N 3.34Å; D370-L372 VanDerWaalsContact C-N 3.31Å; D370-L372 PolarHBondContact O-N 2.88Å; D370-L373 PolarHBondContact O-N 2.95Å; D370-I374 WeakPolarHBondContact O-CD1 3.32Å; D370-I374 VanDerWaalsContact O-CG1 3.27Å; D370-I374 WeakPolarHBondContact O-CG1 3.29Å; D370-I374 PolarHBondContact O-N 3.09Å; D370-I374 WeakPolarHBondContact OD2-CD1 3.12Å |
| 371 | A | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -54.7 | -44.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y19 L328 L367 T368 T375 | Y19-A371 WeakPolarHBondContact O-CA 3.31Å; L328-A371 HydrophobicContact CD1-CB 3.97Å; L367-A371 VanDerWaalsContact O-CB 3.23Å; L367-A371 WeakPolarHBondContact O-CB 3.49Å; L367-A371 PolarHBondContact O-N 2.95Å; T368-A371 PolarHBondContact O-N 2.99Å; A371-T375 WeakPolarHBondContact O-CB 3.21Å; A371-T375 PolarHBondContact O-N 2.95Å; A371-T375 PolarHBondContact O-OG1 3.24Å |
| 372 | L | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.4 | -48.5 | 178 | 175.6 | 65.2 | 0 | 0 | 0 | 110.7 | V283 C325 L328 A329 L332 T368 T369 D370 T375 F376 | V283-L372 HydrophobicContact CB-CD1 4.22Å; V283-L372 HydrophobicContact CB-CD2 4.14Å; V283-L372 HydrophobicContact CB-CG 4.26Å; V283-L372 HydrophobicContact CG1-CD1 3.53Å; V283-L372 HydrophobicContact CG1-CD2 4.34Å; V283-L372 HydrophobicContact CG1-CG 3.94Å; V283-L372 HydrophobicContact CG2-CD2 4.41Å; V283-L372 HydrophobicContact CG2-CG 4.48Å; C325-L372 HydrophobicContact CB-CD1 3.81Å; C325-L372 VanDerWaalsContact O-CD1 3.28Å; C325-L372 WeakPolarHBondContact O-CD1 3.46Å; L328-L372 HydrophobicContact CB-CB 4.33Å; L328-L372 HydrophobicContact CB-CD1 4.19Å; L328-L372 HydrophobicContact CD1-CB 4.49Å; A329-L372 HydrophobicContact CB-CD1 4.15Å; A329-L372 HydrophobicContact CB-CD2 4.05Å; L332-L372 HydrophobicContact CD2-CD2 4.47Å; T368-L372 WeakPolarHBondContact O-CB 3.05Å; T368-L372 PolarHBondContact O-N 2.89Å; T369-L372 PolarHBondContact O-N 2.79Å; D370-L372 VanDerWaalsContact C-N 3.31Å; D370-L372 PolarHBondContact O-N 2.88Å; L372-T375 PolarHBondContact O-N 3.48Å; L372-F376 WeakPolarHBondContact O-CB 3.22Å; L372-F376 PolarHBondContact O-N 3.47Å |
| 373 | L | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -69.4 | -35.7 | -178.9 | -71.8 | 171.5 | 0 | 0 | 0 | 112.7 | L147 R150 V151 I279 T369 D370 F376 Q377 | L147-L373 HydrophobicContact CD2-CD1 4.02Å; R150-L373 HydrophobicContact CB-CB 4.14Å; R150-L373 HydrophobicContact CB-CD1 4.02Å; V151-L373 HydrophobicContact CG2-CD1 3.52Å; V151-L373 HydrophobicContact CG2-CD2 3.93Å; V151-L373 HydrophobicContact CG2-CG 4.4Å; I279-L373 HydrophobicContact CG2-CD2 3.9Å; I279-L373 HydrophobicContact CG2-CG 4.32Å; T369-L373 HydrophobicContact CG2-CD1 4.06Å; T369-L373 HydrophobicContact CG2-CG 4.47Å; T369-L373 WeakPolarHBondContact O-CB 3.41Å; T369-L373 WeakPolarHBondContact O-CG 3.23Å; T369-L373 PolarHBondContact O-N 3.31Å; D370-L373 PolarHBondContact O-N 2.95Å; L373-F376 PolarHBondContact O-N 3.12Å; L373-Q377 WeakPolarHBondContact O-CB 3.36Å; L373-Q377 PolarHBondContact O-N 3.3Å |
| 374 | I | 96.4 | Very high | 96.8 | Very high | 14 Ų | 14 | 17.8 Ų | 17.8 | 7% | 0.072 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.6 | -50.1 | 173.6 | -70.3 | 162.6 | 0 | 0 | 0 | 110.3 | D370 F376 Q377 N378 T502 L504 | D370-I374 WeakPolarHBondContact O-CD1 3.32Å; D370-I374 VanDerWaalsContact O-CG1 3.27Å; D370-I374 WeakPolarHBondContact O-CG1 3.29Å; D370-I374 PolarHBondContact O-N 3.09Å; D370-I374 WeakPolarHBondContact OD2-CD1 3.12Å; I374-F376 VanDerWaalsContact C-N 3.31Å; I374-F376 PolarHBondContact O-N 3.45Å; I374-Q377 PolarHBondContact O-N 3.1Å; I374-N378 WeakPolarHBondContact O-CB 3.24Å; I374-N378 PolarHBondContact O-N 3.02Å; I374-T502 WeakPolarHBondContact O-CG2 3.49Å; I374-L504 HydrophobicContact CG2-CD2 3.67Å |
| 375 | T | 96.5 | Very high | 96.8 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 3% | 0.025 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.9 | -42.7 | 177.7 | -53.5 | 0 | 0 | 0 | 0 | 110.9 | R321 C325 A371 L372 N378 V379 | R321-T375 HydrophobicContact CB-CG2 4.01Å; C325-T375 VanDerWaalsContact SG-CG2 3.57Å; A371-T375 WeakPolarHBondContact O-CB 3.21Å; A371-T375 PolarHBondContact O-N 2.95Å; A371-T375 PolarHBondContact O-OG1 3.24Å; L372-T375 PolarHBondContact O-N 3.48Å; T375-N378 PolarHBondContact O-N 3.48Å; T375-V379 WeakPolarHBondContact O-CG2 3.42Å; T375-V379 PolarHBondContact O-N 3.5Å; T375-V379 VanDerWaalsContact O-N 3.08Å |
| 376 | F | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 0% | 0.004 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.7 | -44.2 | -179.8 | -175.6 | -122.5 | 0 | 0 | 0 | 112.6 | C154 L158 L195 V283 V286 L372 L373 I374 N378 V379 L380 | C154-F376 HydrophobicContact CB-CD1 4.13Å; C154-F376 HydrophobicContact CB-CE1 4.19Å; L158-F376 HydrophobicContact CD1-CE1 4.4Å; L158-F376 HydrophobicContact CD1-CZ 4.37Å; L195-F376 HydrophobicContact CD2-CE1 4.07Å; V283-F376 HydrophobicContact CG1-CB 3.94Å; V283-F376 HydrophobicContact CG1-CD1 4.22Å; V283-F376 HydrophobicContact CG1-CD2 3.69Å; V283-F376 HydrophobicContact CG1-CE2 4.23Å; V283-F376 HydrophobicContact CG1-CG 3.69Å; V283-F376 HydrophobicContact CG2-CD1 3.85Å; V283-F376 HydrophobicContact CG2-CE1 4.08Å; V283-F376 HydrophobicContact CG2-CG 4.17Å; V286-F376 HydrophobicContact CB-CE2 3.98Å; V286-F376 HydrophobicContact CB-CZ 4.07Å; V286-F376 HydrophobicContact CG1-CE2 3.66Å; V286-F376 HydrophobicContact CG1-CZ 3.82Å; V286-F376 HydrophobicContact CG2-CZ 4.34Å; L372-F376 WeakPolarHBondContact O-CB 3.22Å; L372-F376 PolarHBondContact O-N 3.47Å; L373-F376 PolarHBondContact O-N 3.12Å; I374-F376 VanDerWaalsContact C-N 3.31Å; I374-F376 PolarHBondContact O-N 3.45Å; F376-N378 VanDerWaalsContact C-N 3.3Å; F376-N378 PolarHBondContact O-N 3.08Å; F376-V379 WeakPolarHBondContact O-CB 3.28Å; F376-V379 PolarHBondContact O-N 2.89Å; F376-L380 HydrophobicContact CD1-CD1 3.87Å; F376-L380 HydrophobicContact CD1-CG 4.48Å; F376-L380 HydrophobicContact CD2-CG 4.41Å; F376-L380 HydrophobicContact CE1-CD1 3.47Å; F376-L380 VanDerWaalsContact CE1-CD1 3.47Å; F376-L380 HydrophobicContact CE1-CG 4.2Å; F376-L380 HydrophobicContact CE2-CD1 4.29Å; F376-L380 HydrophobicContact CE2-CD2 4.08Å; F376-L380 HydrophobicContact CE2-CG 4.12Å; F376-L380 HydrophobicContact CG-CD1 4.43Å; F376-L380 HydrophobicContact CZ-CD1 3.72Å; F376-L380 HydrophobicContact CZ-CD2 3.97Å; F376-L380 HydrophobicContact CZ-CG 4.01Å; F376-L380 WeakPolarHBondContact O-CG 3.36Å; F376-L380 PolarHBondContact O-N 3.32Å |
| 377 | Q | 96.9 | Very high | 96.7 | Very high | 6 Ų | 6 | 24.7 Ų | 24.7 | 3% | 0.028 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.9 | -46.7 | 174.5 | 178.1 | -178.2 | -27 | 0 | 0 | 110.6 | T153 L373 I374 V379 L380 E381 A500 T502 | T153-Q377 VanDerWaalsContact CG2-CD 3.48Å; T153-Q377 HydrophobicContact CG2-CG 4.1Å; L373-Q377 WeakPolarHBondContact O-CB 3.36Å; L373-Q377 PolarHBondContact O-N 3.3Å; I374-Q377 PolarHBondContact O-N 3.1Å; Q377-V379 VanDerWaalsContact C-N 3.31Å; Q377-V379 PolarHBondContact O-N 2.96Å; Q377-L380 PolarHBondContact O-N 3.13Å; Q377-L380 VanDerWaalsContact O-N 3.14Å; Q377-E381 HydrophobicContact CG-CG 4.34Å; Q377-E381 WeakPolarHBondContact CG-OE1 3.4Å; Q377-E381 PolarHBondContact NE2-OE1 3.26Å; Q377-E381 WeakPolarHBondContact O-CG 3.42Å; Q377-E381 PolarHBondContact O-N 3.42Å; Q377-A500 PolarHBondContact NE2-O 3.31Å; Q377-T502 HydrophobicContact CB-CG2 3.85Å; Q377-T502 HydrophobicContact CG-CG2 3.69Å |
| 378 | N | 95.4 | Very high | 96.6 | Very high | 16 Ų | 16 | 28.1 Ų | 28.1 | 9% | 0.086 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.5 | -40.7 | 177.5 | 179.6 | -96.1 | 0 | 0 | 0 | 112.5 | R321 I374 T375 F376 T502 L504 | R321-N378 WeakPolarHBondContact CD-OD1 3.44Å; R321-N378 VanDerWaalsContact CZ-OD1 3.31Å; R321-N378 PolarHBondContact NH1-OD1 3.11Å; I374-N378 WeakPolarHBondContact O-CB 3.24Å; I374-N378 PolarHBondContact O-N 3.02Å; T375-N378 PolarHBondContact O-N 3.48Å; F376-N378 VanDerWaalsContact C-N 3.3Å; F376-N378 PolarHBondContact O-N 3.08Å; N378-T502 HydrophobicContact CB-CG2 3.85Å; N378-T502 PolarHBondContact ND2-O 3.43Å; N378-L504 HydrophobicContact CB-CD1 4.12Å; N378-L504 HydrophobicContact CB-CD2 3.95Å; N378-L504 HydrophobicContact CB-CG 3.92Å; N378-L504 WeakPolarHBondContact OD1-CD1 3.22Å |
| 379 | V | 96.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.2 | -47.5 | 174 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | I290 E301 R321 T375 F376 Q377 E381 S382 L383 | I290-V379 HydrophobicContact CD1-CG1 3.85Å; E301-V379 HydrophobicContact CB-CG1 4.21Å; R321-V379 HydrophobicContact CB-CG2 3.48Å; R321-V379 VanDerWaalsContact CB-CG2 3.48Å; R321-V379 HydrophobicContact CG-CG2 4.45Å; T375-V379 WeakPolarHBondContact O-CG2 3.42Å; T375-V379 PolarHBondContact O-N 3.5Å; T375-V379 VanDerWaalsContact O-N 3.08Å; F376-V379 WeakPolarHBondContact O-CB 3.28Å; F376-V379 PolarHBondContact O-N 2.89Å; Q377-V379 VanDerWaalsContact C-N 3.31Å; Q377-V379 PolarHBondContact O-N 2.96Å; V379-E381 VanDerWaalsContact C-N 3.34Å; V379-E381 PolarHBondContact O-N 3.19Å; V379-S382 PolarHBondContact O-N 3.14Å; V379-L383 HydrophobicContact CG1-CD2 3.85Å; V379-L383 WeakPolarHBondContact O-CG 3.39Å; V379-L383 PolarHBondContact O-N 3.29Å |
| 380 | L | 96.8 | Very high | 96.4 | Very high | 10 Ų | 10 | 29.1 Ų | 29.1 | 5% | 0.052 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.3 | -33.6 | -177.8 | -67.5 | 177.1 | 0 | 0 | 0 | 113.6 | C154 R157 L158 F376 Q377 S382 L383 | C154-L380 HydrophobicContact CB-CD1 3.99Å; R157-L380 HydrophobicContact CB-CB 3.84Å; R157-L380 HydrophobicContact CB-CD1 4.28Å; R157-L380 HydrophobicContact CG-CB 4.46Å; L158-L380 HydrophobicContact CD1-CD1 4.22Å; L158-L380 HydrophobicContact CD2-CD1 4.33Å; L158-L380 HydrophobicContact CD2-CD2 3.54Å; L158-L380 HydrophobicContact CG-CD1 3.78Å; L158-L380 HydrophobicContact CG-CD2 3.95Å; F376-L380 HydrophobicContact CD1-CD1 3.87Å; F376-L380 HydrophobicContact CD1-CG 4.48Å; F376-L380 HydrophobicContact CD2-CG 4.41Å; F376-L380 HydrophobicContact CE1-CD1 3.47Å; F376-L380 VanDerWaalsContact CE1-CD1 3.47Å; F376-L380 HydrophobicContact CE1-CG 4.2Å; F376-L380 HydrophobicContact CE2-CD1 4.29Å; F376-L380 HydrophobicContact CE2-CD2 4.08Å; F376-L380 HydrophobicContact CE2-CG 4.12Å; F376-L380 HydrophobicContact CG-CD1 4.43Å; F376-L380 HydrophobicContact CZ-CD1 3.72Å; F376-L380 HydrophobicContact CZ-CD2 3.97Å; F376-L380 HydrophobicContact CZ-CG 4.01Å; F376-L380 WeakPolarHBondContact O-CG 3.36Å; F376-L380 PolarHBondContact O-N 3.32Å; Q377-L380 PolarHBondContact O-N 3.13Å; Q377-L380 VanDerWaalsContact O-N 3.14Å; L380-S382 PolarHBondContact O-N 3.23Å; L380-L383 HydrophobicContact CD2-CD1 4.05Å |
| 381 | E | 93.3 | Very high | 96.3 | Very high | 40 Ų | 40 | 31.8 Ų | 31.8 | 19% | 0.187 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.9 | -16.7 | -177.8 | -80.1 | 174.6 | 174.3 | 0 | 0 | 114 | R157 Q377 V379 N501 T502 | R157-E381 HydrophobicContact CG-CG 3.98Å; R157-E381 IonicContact CZ-OE1 3.78Å; R157-E381 VanDerWaalsContact NE-CG 3.3Å; R157-E381 IonicContact NE-OE1 3.78Å; R157-E381 PolarHBondContact NE-OE1 3.39Å; R157-E381 IonicContact NH2-OE1 3.93Å; R157-E381 PolarHBondContact NH2-OE1 3.44Å; Q377-E381 HydrophobicContact CG-CG 4.34Å; Q377-E381 WeakPolarHBondContact CG-OE1 3.4Å; Q377-E381 PolarHBondContact NE2-OE1 3.26Å; Q377-E381 WeakPolarHBondContact O-CG 3.42Å; Q377-E381 PolarHBondContact O-N 3.42Å; V379-E381 VanDerWaalsContact C-N 3.34Å; V379-E381 PolarHBondContact O-N 3.19Å; E381-N501 WeakPolarHBondContact OE1-CA 2.85Å; E381-N501 PolarHBondContact OE1-OD1 2.7Å; E381-T502 PolarHBondContact OE2-N 3.41Å |
| 382 | S | 89.8 | Confident | 96.1 | Very high | 67 Ų | 67 | 34.4 Ų | 34.4 | 47% | 0.469 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -145.8 | 34.5 | -176.5 | -70 | 0 | 0 | 0 | 0 | 112.8 | P302 V379 L380 R384 | P302-S382 VanDerWaalsContact CG-CB 3.49Å; P302-S382 WeakPolarHBondContact CG-O 3.45Å; V379-S382 PolarHBondContact O-N 3.14Å; L380-S382 PolarHBondContact O-N 3.23Å; S382-R384 PolarHBondContact O-N 3.46Å |
| 383 | L | 95.4 | Very high | 95.9 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 12% | 0.115 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -57.2 | 128.8 | 167.8 | -75.7 | 177.5 | 0 | 0 | 0 | 109.8 | F161 W191 I290 I299 V379 L380 | F161-L383 HydrophobicContact CD2-CB 4.2Å; F161-L383 HydrophobicContact CD2-CD1 4.07Å; F161-L383 HydrophobicContact CE2-CB 3.75Å; F161-L383 HydrophobicContact CE2-CD1 3.9Å; F161-L383 HydrophobicContact CE2-CG 4.5Å; F161-L383 HydrophobicContact CG-CD1 4.46Å; F161-L383 HydrophobicContact CZ-CD1 4.15Å; W191-L383 HydrophobicContact CZ3-CD1 4.49Å; I290-L383 HydrophobicContact CD1-CD2 4.1Å; I290-L383 HydrophobicContact CG1-CD2 4.45Å; I290-L383 HydrophobicContact CG2-CD2 4.46Å; I299-L383 HydrophobicContact CG2-CB 4.44Å; I299-L383 HydrophobicContact CG2-CD2 4.06Å; V379-L383 HydrophobicContact CG1-CD2 3.85Å; V379-L383 WeakPolarHBondContact O-CG 3.39Å; V379-L383 PolarHBondContact O-N 3.29Å; L380-L383 HydrophobicContact CD2-CD1 4.05Å |
| 384 | R | 95.7 | Very high | 95.7 | Very high | 126 Ų | 126 | 37.5 Ų | 37.5 | 48% | 0.475 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 121.2 | 177.1 | -61.2 | -171.8 | -176.4 | -170.1 | 6.6 | 109.8 | I299 S300 F303 S382 | I299-R384 CarbonylContact C-O 3.18Å; I299-R384 VanDerWaalsContact CA-O 3.28Å; I299-R384 WeakPolarHBondContact CA-O 3.47Å; S300-R384 PolarHBondContact N-O 2.78Å; S300-R384 PolarHBondContact O-N 2.91Å; F303-R384 PolarHBondContact O-NH2 2.63Å; S382-R384 PolarHBondContact O-N 3.46Å |
| 385 | V | 97.5 | Very high | 95.5 | Very high | 27 Ų | 27 | 43.9 Ų | 43.9 | 16% | 0.164 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 121.1 | 177.2 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | F161 H165 L168 I299 H387 I390 | F161-V385 HydrophobicContact CE2-CG2 3.49Å; F161-V385 VanDerWaalsContact CE2-CG2 3.49Å; F161-V385 HydrophobicContact CZ-CG2 3.47Å; F161-V385 VanDerWaalsContact CZ-CG2 3.47Å; H165-V385 WeakPolarHBondContact NE2-CG2 3.23Å; L168-V385 HydrophobicContact CD2-CG1 3.55Å; I299-V385 HydrophobicContact CG1-CG2 4.48Å; V385-H387 PolarHBondContact O-N 3.42Å; V385-I390 HydrophobicContact CG1-CD1 3.53Å |
| 386 | N | 97.1 | Very high | 95.1 | Very high | 64 Ų | 64 | 44.6 Ų | 44.6 | 34% | 0.342 | 25% | 0.25 | S | S | . | . | trans | -93.5 | 88 | 179.1 | -174.8 | -13.9 | 0 | 0 | 0 | 110.3 | G297 E298 S388 S389 I390 | G297-N386 WeakPolarHBondContact O-CB 3.34Å; G297-N386 PolarHBondContact O-ND2 3.05Å; G297-N386 VanDerWaalsContact O-ND2 3.13Å; E298-N386 PolarHBondContact O-N 3.07Å; N386-S388 VanDerWaalsContact C-N 3.29Å; N386-S388 PolarHBondContact O-N 3.4Å; N386-S388 PolarHBondContact OD1-N 3.29Å; N386-S388 PolarHBondContact OD1-OG 2.86Å; N386-S389 VanDerWaalsContact CG-CB 3.42Å; N386-S389 WeakPolarHBondContact ND2-CB 3.32Å; N386-S389 PolarHBondContact O-N 3.44Å; N386-S389 PolarHBondContact OD1-N 2.95Å; N386-I390 WeakPolarHBondContact O-CG1 3.35Å; N386-I390 PolarHBondContact O-N 3.43Å | ||
| 387 | H | 96.9 | Very high | 94.7 | Very high | 102 Ų | 102 | 46 Ų | 46 | 47% | 0.472 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -55.1 | -41.5 | -178.8 | -71.9 | -102.4 | 0 | 0 | 0 | 113 | V385 I390 A391 | V385-H387 PolarHBondContact O-N 3.42Å; H387-I390 PolarHBondContact O-N 3.24Å; H387-A391 WeakPolarHBondContact O-CB 3.37Å; H387-A391 PolarHBondContact O-N 2.77Å |
| 388 | S | 96.7 | Very high | 94.3 | Very high | 89 Ų | 89 | 46.6 Ų | 46.6 | 62% | 0.622 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.6 | -42.8 | 179.5 | 39.5 | 0 | 0 | 0 | 0 | 113.2 | N386 A391 A392 | N386-S388 VanDerWaalsContact C-N 3.29Å; N386-S388 PolarHBondContact O-N 3.4Å; N386-S388 PolarHBondContact OD1-N 3.29Å; N386-S388 PolarHBondContact OD1-OG 2.86Å; S388-A391 PolarHBondContact O-N 3.01Å; S388-A392 WeakPolarHBondContact O-CB 3.18Å; S388-A392 PolarHBondContact O-N 3.44Å |
| 389 | S | 96.5 | Very high | 93.9 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 15% | 0.147 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.6 | -41.5 | 177.6 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | G297 N386 A392 H393 | G297-S389 WeakPolarHBondContact O-CB 3.34Å; G297-S389 PolarHBondContact O-OG 3.24Å; N386-S389 VanDerWaalsContact CG-CB 3.42Å; N386-S389 WeakPolarHBondContact ND2-CB 3.32Å; N386-S389 PolarHBondContact O-N 3.44Å; N386-S389 PolarHBondContact OD1-N 2.95Å; S389-A392 PolarHBondContact O-N 3.45Å; S389-H393 VanDerWaalsContact O-CG 3.29Å; S389-H393 PolarHBondContact O-N 3.29Å; S389-H393 PolarHBondContact O-ND1 3.13Å; S389-H393 PolarHBondContact OG-CE1 3.1Å |
| 390 | I | 97.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 176.1 | -68.1 | 164.9 | 0 | 0 | 0 | 110.6 | L168 A169 V184 E298 V385 N386 H387 A392 H393 V394 | L168-I390 HydrophobicContact CD2-CD1 4.03Å; A169-I390 WeakPolarHBondContact O-CG2 3.41Å; V184-I390 HydrophobicContact CG2-CD1 3.95Å; E298-I390 HydrophobicContact CB-CD1 4.3Å; E298-I390 HydrophobicContact CB-CG1 3.71Å; E298-I390 HydrophobicContact CG-CG1 3.78Å; V385-I390 HydrophobicContact CG1-CD1 3.53Å; N386-I390 WeakPolarHBondContact O-CG1 3.35Å; N386-I390 PolarHBondContact O-N 3.43Å; H387-I390 PolarHBondContact O-N 3.24Å; I390-A392 PolarHBondContact O-N 3.05Å; I390-H393 PolarHBondContact O-N 2.83Å; I390-V394 HydrophobicContact CG2-CG2 4.45Å; I390-V394 WeakPolarHBondContact O-CG2 3.42Å; I390-V394 PolarHBondContact O-N 2.87Å |
| 391 | A | 95.1 | Very high | 93.1 | Very high | 57 Ų | 57 | 50.1 Ų | 50.1 | 47% | 0.471 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.4 | -45 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | H387 S388 H393 V394 E395 | H387-A391 WeakPolarHBondContact O-CB 3.37Å; H387-A391 PolarHBondContact O-N 2.77Å; S388-A391 PolarHBondContact O-N 3.01Å; A391-H393 PolarHBondContact O-N 3.38Å; A391-V394 PolarHBondContact O-N 3.18Å; A391-E395 WeakPolarHBondContact O-CB 3.38Å; A391-E395 PolarHBondContact O-N 3.3Å |
| 392 | A | 94.1 | Very high | 92.8 | Very high | 54 Ų | 54 | 48.2 Ų | 48.2 | 45% | 0.446 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S388 S389 I390 A396 | S388-A392 WeakPolarHBondContact O-CB 3.18Å; S388-A392 PolarHBondContact O-N 3.44Å; S389-A392 PolarHBondContact O-N 3.45Å; I390-A392 PolarHBondContact O-N 3.05Å; A392-A396 WeakPolarHBondContact O-CB 3.22Å; A392-A396 PolarHBondContact O-N 3.27Å |
| 393 | H | 94.3 | Very high | 92.8 | Very high | 57 Ų | 57 | 45.7 Ų | 45.7 | 26% | 0.264 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.7 | -39.4 | 175 | -61.6 | 155.6 | 0 | 0 | 0 | 112.4 | V171 F296 E298 S389 I390 A391 A396 E397 | V171-H393 HydrophobicContact CG2-CB 4.26Å; F296-H393 PolarHBondContact O-CE1 3.33Å; E298-H393 WeakPolarHBondContact CG-ND1 3.39Å; E298-H393 IonicContact OE1-CE1 3.9Å; E298-H393 IonicContact OE1-CG 2.79Å; E298-H393 IonicContact OE1-ND1 3.59Å; E298-H393 PolarHBondContact OE1-ND1 2.93Å; S389-H393 VanDerWaalsContact O-CG 3.29Å; S389-H393 PolarHBondContact O-N 3.29Å; S389-H393 PolarHBondContact O-ND1 3.13Å; S389-H393 PolarHBondContact OG-CE1 3.1Å; I390-H393 PolarHBondContact O-N 2.83Å; A391-H393 PolarHBondContact O-N 3.38Å; H393-A396 PolarHBondContact O-N 3.08Å; H393-E397 WeakPolarHBondContact O-CG 3.46Å; H393-E397 PolarHBondContact O-N 3.37Å |
| 394 | V | 94 | Very high | 92.4 | Very high | 9 Ų | 9 | 50.2 Ų | 50.2 | 6% | 0.055 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.4 | -50.7 | 175.3 | 170 | 0 | 0 | 0 | 0 | 109.4 | V171 L181 I390 A391 A396 E397 L398 A467 | V171-V394 HydrophobicContact CG2-CG2 4.1Å; L181-V394 HydrophobicContact CD1-CG1 3.87Å; L181-V394 HydrophobicContact CD2-CG1 4.21Å; L181-V394 HydrophobicContact CD2-CG2 4.23Å; I390-V394 HydrophobicContact CG2-CG2 4.45Å; I390-V394 WeakPolarHBondContact O-CG2 3.42Å; I390-V394 PolarHBondContact O-N 2.87Å; A391-V394 PolarHBondContact O-N 3.18Å; V394-A396 VanDerWaalsContact C-N 3.29Å; V394-A396 PolarHBondContact O-N 3Å; V394-E397 PolarHBondContact O-N 3.43Å; V394-L398 WeakPolarHBondContact O-CA 3.48Å; V394-L398 WeakPolarHBondContact O-CB 3.22Å; V394-L398 PolarHBondContact O-N 3.37Å; V394-A467 HydrophobicContact CG1-CB 3.81Å |
| 395 | E | 90.6 | Very high | 92.1 | Very high | 148 Ų | 148 | 45.7 Ų | 45.7 | 69% | 0.692 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -57.7 | -40 | 178.7 | -173.6 | 179.3 | -179.8 | 0 | 0 | 112.6 | A391 E397 P399 | A391-E395 WeakPolarHBondContact O-CB 3.38Å; A391-E395 PolarHBondContact O-N 3.3Å; E395-E397 PolarHBondContact O-N 3.01Å; E395-P399 VanDerWaalsContact O-CD 3.3Å; E395-P399 WeakPolarHBondContact O-CD 3.24Å |
| 396 | A | 88.9 | Confident | 91.8 | Very high | 18 Ų | 18 | 44.4 Ų | 44.4 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.9 | -33.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | A392 H393 V394 | A392-A396 WeakPolarHBondContact O-CB 3.22Å; A392-A396 PolarHBondContact O-N 3.27Å; H393-A396 PolarHBondContact O-N 3.08Å; V394-A396 VanDerWaalsContact C-N 3.29Å; V394-A396 PolarHBondContact O-N 3Å |
| 397 | E | 90.3 | Very high | 91.7 | Very high | 31 Ų | 31 | 42 Ų | 42 | 15% | 0.145 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -99 | -25.1 | -176.2 | -60.7 | -55.5 | 140.9 | 0 | 0 | 113.2 | V171 P178 H393 V394 E395 P399 F400 L401 R435 | V171-E397 HydrophobicContact CG1-CG 4.47Å; V171-E397 HydrophobicContact CG2-CB 4.18Å; V171-E397 HydrophobicContact CG2-CG 4.21Å; P178-E397 HydrophobicContact CB-CG 4.13Å; P178-E397 HydrophobicContact CG-CG 4.16Å; H393-E397 WeakPolarHBondContact O-CG 3.46Å; H393-E397 PolarHBondContact O-N 3.37Å; V394-E397 PolarHBondContact O-N 3.43Å; E395-E397 PolarHBondContact O-N 3.01Å; E397-P399 VanDerWaalsContact C-N 3.33Å; E397-F400 PolarHBondContact O-N 3.1Å; E397-L401 HydrophobicContact CB-CD1 4.04Å; E397-L401 HydrophobicContact CB-CG 4.31Å; E397-L401 WeakPolarHBondContact O-CG 3.34Å; E397-L401 PolarHBondContact O-N 3.47Å; E397-R435 IonicContact OE1-CZ 2.68Å; E397-R435 IonicContact OE1-NH1 3.31Å; E397-R435 PolarHBondContact OE1-NH1 3.03Å; E397-R435 IonicContact OE1-NH2 2.92Å; E397-R435 PolarHBondContact OE1-NH2 3.01Å; E397-R435 IonicContact OE2-NH1 3.52Å; E397-R435 PolarHBondContact OE2-NH1 3.1Å |
| 398 | L | 88.3 | Confident | 91.5 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -50.6 | -41.2 | -174.8 | 179.6 | 62.1 | 0 | 0 | 0 | 114.1 | L181 V394 F400 L401 S402 L465 A467 | L181-L398 HydrophobicContact CD1-CD1 4.13Å; V394-L398 WeakPolarHBondContact O-CA 3.48Å; V394-L398 WeakPolarHBondContact O-CB 3.22Å; V394-L398 PolarHBondContact O-N 3.37Å; L398-F400 VanDerWaalsContact C-N 3.3Å; L398-F400 PolarHBondContact O-N 3.27Å; L398-L401 PolarHBondContact O-N 3.16Å; L398-S402 WeakPolarHBondContact O-CB 3.23Å; L398-S402 PolarHBondContact O-N 3.25Å; L398-L465 WeakPolarHBondContact CD2-O 3.24Å; L398-A467 HydrophobicContact CD1-CB 4.34Å; L398-A467 HydrophobicContact CD2-CB 3.89Å |
| 399 | P | 85.9 | Confident | 91.3 | Very high | 32 Ų | 32 | 39.3 Ų | 39.3 | 21% | 0.208 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.5 | -37.8 | 179.3 | -20.9 | 32.2 | 0 | 0 | 0 | 112.6 | E395 E397 S402 L444 | E395-P399 VanDerWaalsContact O-CD 3.3Å; E395-P399 WeakPolarHBondContact O-CD 3.24Å; E397-P399 VanDerWaalsContact C-N 3.33Å; P399-S402 PolarHBondContact O-OG 2.87Å; P399-L444 HydrophobicContact CB-CB 3.7Å; P399-L444 HydrophobicContact CB-CD1 3.71Å; P399-L444 HydrophobicContact CB-CG 4.28Å |
| 400 | F | 88.3 | Confident | 91.2 | Very high | 46 Ų | 46 | 38.3 Ų | 38.3 | 20% | 0.202 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -72.4 | -40.6 | 174.1 | -68.6 | -78.9 | 0 | 0 | 0 | 112.1 | E397 L398 S402 L403 A431 L444 | E397-F400 PolarHBondContact O-N 3.1Å; L398-F400 VanDerWaalsContact C-N 3.3Å; L398-F400 PolarHBondContact O-N 3.27Å; F400-S402 VanDerWaalsContact C-N 3.27Å; F400-S402 PolarHBondContact O-N 3.46Å; F400-L403 HydrophobicContact CD1-CD1 4.39Å; F400-L403 VanDerWaalsContact O-CB 3.3Å; F400-L403 WeakPolarHBondContact O-CB 3.33Å; F400-L403 WeakPolarHBondContact O-CG 3.37Å; F400-L403 PolarHBondContact O-N 3.07Å; F400-A431 HydrophobicContact CE1-CB 3.88Å; F400-A431 HydrophobicContact CZ-CB 3.89Å; F400-L444 HydrophobicContact CD1-CD1 3.77Å; F400-L444 HydrophobicContact CD2-CD1 4.19Å; F400-L444 HydrophobicContact CE1-CD1 3.81Å; F400-L444 HydrophobicContact CE2-CD1 4.21Å; F400-L444 HydrophobicContact CG-CD1 3.97Å; F400-L444 HydrophobicContact CZ-CD1 4.03Å |
| 401 | L | 88.4 | Confident | 91.1 | Very high | 23 Ų | 23 | 40.8 Ų | 40.8 | 12% | 0.12 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67 | -29.6 | -179.6 | -61.7 | 179.8 | 0 | 0 | 0 | 112.3 | A179 L181 E397 L398 L403 | A179-L401 VanDerWaalsContact C-CD2 3.42Å; A179-L401 WeakPolarHBondContact O-CD1 3.28Å; A179-L401 VanDerWaalsContact O-CD2 3.32Å; A179-L401 WeakPolarHBondContact O-CD2 3.44Å; L181-L401 HydrophobicContact CD2-CD1 3.48Å; L181-L401 VanDerWaalsContact CD2-CD1 3.48Å; L181-L401 HydrophobicContact CG-CD1 4.04Å; E397-L401 HydrophobicContact CB-CD1 4.04Å; E397-L401 HydrophobicContact CB-CG 4.31Å; E397-L401 WeakPolarHBondContact O-CG 3.34Å; E397-L401 PolarHBondContact O-N 3.47Å; L398-L401 PolarHBondContact O-N 3.16Å; L401-L403 PolarHBondContact O-N 2.87Å |
| 402 | S | 87.4 | Confident | 91.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.4 | -17.4 | 176.3 | 74.5 | 0 | 0 | 0 | 0 | 113.9 | L398 P399 F400 E404 S405 V406 L464 L465 | L398-S402 WeakPolarHBondContact O-CB 3.23Å; L398-S402 PolarHBondContact O-N 3.25Å; P399-S402 PolarHBondContact O-OG 2.87Å; F400-S402 VanDerWaalsContact C-N 3.27Å; F400-S402 PolarHBondContact O-N 3.46Å; S402-E404 VanDerWaalsContact C-N 3.25Å; S402-E404 PolarHBondContact O-N 3.01Å; S402-S405 WeakPolarHBondContact O-CA 3.27Å; S402-S405 WeakPolarHBondContact O-CB 3.31Å; S402-S405 PolarHBondContact O-N 2.85Å; S402-V406 WeakPolarHBondContact O-CG2 3.26Å; S402-V406 PolarHBondContact O-N 3.3Å; S402-L464 WeakPolarHBondContact CB-O 3.5Å; S402-L465 WeakPolarHBondContact OG-CD2 3.47Å |
| 403 | L | 89.6 | Confident | 91.1 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 7% | 0.068 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.5 | -27.6 | -175 | -65.2 | -179.7 | 0 | 0 | 0 | 113.1 | F400 L401 L407 I424 A428 L448 | F400-L403 HydrophobicContact CD1-CD1 4.39Å; F400-L403 VanDerWaalsContact O-CB 3.3Å; F400-L403 WeakPolarHBondContact O-CB 3.33Å; F400-L403 WeakPolarHBondContact O-CG 3.37Å; F400-L403 PolarHBondContact O-N 3.07Å; L401-L403 PolarHBondContact O-N 2.87Å; L403-L407 WeakPolarHBondContact O-CB 3.4Å; L403-L407 PolarHBondContact O-N 3.21Å; L403-I424 HydrophobicContact CB-CG2 3.73Å; L403-I424 HydrophobicContact CD1-CG2 4.04Å; L403-I424 HydrophobicContact CD2-CG2 4.18Å; L403-I424 HydrophobicContact CG-CG2 4.19Å; L403-A428 HydrophobicContact CD1-CB 3.7Å; L403-L448 HydrophobicContact CD2-CD1 4.35Å |
| 404 | E | 88 | Confident | 91.1 | Very high | 117 Ų | 117 | 47.1 Ų | 47.1 | 55% | 0.547 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.3 | -45.8 | 171 | -175.5 | 177.1 | -167.7 | 0 | 0 | 110.9 | S180 S402 V406 L407 M408 | S180-E404 PolarHBondContact OG-OE2 2.68Å; S402-E404 VanDerWaalsContact C-N 3.25Å; S402-E404 PolarHBondContact O-N 3.01Å; E404-V406 VanDerWaalsContact C-N 3.35Å; E404-V406 PolarHBondContact O-N 3.42Å; E404-L407 WeakPolarHBondContact O-CB 3.33Å; E404-L407 PolarHBondContact O-N 2.8Å; E404-M408 WeakPolarHBondContact O-CG 3.13Å; E404-M408 PolarHBondContact O-N 3.15Å; E404-M408 VanDerWaalsContact O-N 3.07Å |
| 405 | S | 88.9 | Confident | 91.2 | Very high | 32 Ų | 32 | 48.2 Ų | 48.2 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 175.7 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | S402 M408 H409 H470 | S402-S405 WeakPolarHBondContact O-CA 3.27Å; S402-S405 WeakPolarHBondContact O-CB 3.31Å; S402-S405 PolarHBondContact O-N 2.85Å; S405-M408 PolarHBondContact O-N 2.93Å; S405-H409 PolarHBondContact O-N 3.46Å; S405-H409 PolarHBondContact O-ND1 2.88Å; S405-H470 PolarHBondContact OG-CE1 3.33Å; S405-H470 VanDerWaalsContact OG-CE1 3.3Å; S405-H470 PolarHBondContact OG-ND1 3.11Å |
| 406 | V | 91.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 173 | 165.2 | 0 | 0 | 0 | 0 | 111.1 | S402 E404 M408 H409 L410 I424 L448 F454 I457 L464 | S402-V406 WeakPolarHBondContact O-CG2 3.26Å; S402-V406 PolarHBondContact O-N 3.3Å; E404-V406 VanDerWaalsContact C-N 3.35Å; E404-V406 PolarHBondContact O-N 3.42Å; V406-M408 VanDerWaalsContact C-N 3.33Å; V406-M408 PolarHBondContact O-N 3.01Å; V406-H409 PolarHBondContact O-N 3.35Å; V406-L410 HydrophobicContact CG1-CD1 4Å; V406-L410 WeakPolarHBondContact O-CG 3.12Å; V406-L410 PolarHBondContact O-N 2.94Å; V406-I424 HydrophobicContact CB-CD1 4.49Å; V406-I424 HydrophobicContact CG1-CD1 3.84Å; V406-I424 HydrophobicContact CG1-CG1 4.27Å; V406-L448 HydrophobicContact CG1-CD2 4.36Å; V406-L448 HydrophobicContact CG2-CD1 4.11Å; V406-F454 HydrophobicContact CG1-CD1 3.95Å; V406-F454 HydrophobicContact CG1-CE1 3.9Å; V406-I457 HydrophobicContact CB-CD1 4.21Å; V406-I457 HydrophobicContact CG1-CD1 3.63Å; V406-I457 HydrophobicContact CG2-CD1 4.13Å; V406-L464 HydrophobicContact CG2-CD1 4.37Å |
| 407 | L | 93.7 | Very high | 91.8 | Very high | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.3 | -47.6 | 176.2 | 176.6 | 61.7 | 0 | 0 | 0 | 111.5 | L403 E404 H409 L410 T411 R417 A420 H421 I424 | L403-L407 WeakPolarHBondContact O-CB 3.4Å; L403-L407 PolarHBondContact O-N 3.21Å; E404-L407 WeakPolarHBondContact O-CB 3.33Å; E404-L407 PolarHBondContact O-N 2.8Å; L407-H409 VanDerWaalsContact C-N 3.35Å; L407-H409 PolarHBondContact O-N 3.47Å; L407-L410 PolarHBondContact O-N 3.29Å; L407-T411 PolarHBondContact O-N 3.16Å; L407-T411 VanDerWaalsContact O-N 3.12Å; L407-T411 PolarHBondContact O-OG1 3.37Å; L407-R417 HydrophobicContact CD1-CG 4.27Å; L407-A420 HydrophobicContact CD1-CB 3.63Å; L407-H421 HydrophobicContact CD1-CB 3.95Å; L407-H421 HydrophobicContact CD2-CB 4.32Å; L407-I424 HydrophobicContact CB-CD1 3.63Å; L407-I424 HydrophobicContact CD1-CD1 4.1Å; L407-I424 HydrophobicContact CG-CD1 4.45Å |
| 408 | M | 92.7 | Very high | 92.1 | Very high | 79 Ų | 79 | 54.8 Ų | 54.8 | 39% | 0.389 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 179.7 | -66.7 | -56.3 | 103.4 | 0 | 0 | 111.7 | E404 S405 V406 T411 L412 | E404-M408 WeakPolarHBondContact O-CG 3.13Å; E404-M408 PolarHBondContact O-N 3.15Å; E404-M408 VanDerWaalsContact O-N 3.07Å; S405-M408 PolarHBondContact O-N 2.93Å; V406-M408 VanDerWaalsContact C-N 3.33Å; V406-M408 PolarHBondContact O-N 3.01Å; M408-T411 PolarHBondContact O-N 2.75Å; M408-L412 WeakPolarHBondContact O-CG 3.43Å; M408-L412 PolarHBondContact O-N 3.15Å |
| 409 | H | 93.5 | Very high | 92.4 | Very high | 57 Ų | 57 | 58.8 Ų | 58.8 | 26% | 0.264 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.4 | -37.1 | -178.6 | -74.7 | 73.8 | 0 | 0 | 0 | 112.5 | S405 V406 L407 T411 L412 H413 I457 L464 | S405-H409 PolarHBondContact O-N 3.46Å; S405-H409 PolarHBondContact O-ND1 2.88Å; V406-H409 PolarHBondContact O-N 3.35Å; L407-H409 VanDerWaalsContact C-N 3.35Å; L407-H409 PolarHBondContact O-N 3.47Å; H409-T411 VanDerWaalsContact C-N 3.34Å; H409-L412 PolarHBondContact O-N 3.38Å; H409-H413 PolarHBondContact O-N 3.4Å; H409-H413 VanDerWaalsContact O-N 3.11Å; H409-H413 PolarHBondContact O-ND1 3.02Å; H409-I457 HydrophobicContact CB-CG2 3.7Å; H409-L464 HydrophobicContact CB-CD1 4.27Å; H409-L464 WeakPolarHBondContact CE1-CD2 3.25Å; H409-L464 WeakPolarHBondContact ND1-CD2 3.35Å |
| 410 | L | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 172.9 | -74 | 167.2 | 0 | 0 | 0 | 111.5 | V406 L407 L412 H413 G414 V415 A420 I424 F453 F454 I457 | V406-L410 HydrophobicContact CG1-CD1 4Å; V406-L410 WeakPolarHBondContact O-CG 3.12Å; V406-L410 PolarHBondContact O-N 2.94Å; L407-L410 PolarHBondContact O-N 3.29Å; L410-L412 VanDerWaalsContact C-N 3.32Å; L410-L412 PolarHBondContact O-N 3.1Å; L410-H413 CarbonylContact O-C 3.52Å; L410-H413 PolarHBondContact O-N 3.37Å; L410-H413 VanDerWaalsContact O-N 3.1Å; L410-G414 PolarHBondContact O-N 3.26Å; L410-V415 HydrophobicContact CB-CB 4.14Å; L410-V415 HydrophobicContact CB-CG2 4.27Å; L410-V415 HydrophobicContact CD2-CG2 4.13Å; L410-V415 WeakPolarHBondContact O-CB 3.44Å; L410-V415 WeakPolarHBondContact O-CG2 3.23Å; L410-V415 PolarHBondContact O-N 3Å; L410-V415 VanDerWaalsContact O-N 3.08Å; L410-A420 HydrophobicContact CB-CB 4.14Å; L410-A420 HydrophobicContact CD1-CB 3.99Å; L410-I424 HydrophobicContact CD1-CD1 4.1Å; L410-F453 HydrophobicContact CD1-CE1 3.92Å; L410-F454 HydrophobicContact CD1-CD1 3.81Å; L410-F454 HydrophobicContact CD1-CE1 3.79Å; L410-F454 HydrophobicContact CD2-CD1 4.38Å; L410-I457 HydrophobicContact CD2-CD1 4.44Å; L410-I457 HydrophobicContact CD2-CG1 4.19Å; L410-I457 HydrophobicContact CD2-CG2 3.96Å; L410-I457 HydrophobicContact CG-CD1 4.29Å; L410-I457 HydrophobicContact CG-CG2 4.11Å |
| 411 | T | 94.7 | Very high | 93.3 | Very high | 52 Ų | 52 | 58.6 Ų | 58.6 | 32% | 0.319 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 176.1 | -57.8 | 0 | 0 | 0 | 0 | 112 | L407 M408 H409 H413 G414 V415 R417 | L407-T411 PolarHBondContact O-N 3.16Å; L407-T411 VanDerWaalsContact O-N 3.12Å; L407-T411 PolarHBondContact O-OG1 3.37Å; M408-T411 PolarHBondContact O-N 2.75Å; H409-T411 VanDerWaalsContact C-N 3.34Å; T411-H413 PolarHBondContact O-N 3.3Å; T411-G414 PolarHBondContact O-N 2.86Å; T411-V415 WeakPolarHBondContact CA-O 3.08Å; T411-R417 HydrophobicContact CG2-CB 4.27Å |
| 412 | L | 94.4 | Very high | 93.7 | Very high | 140 Ų | 140 | 61.2 Ų | 61.2 | 73% | 0.733 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64 | -26.8 | 174.5 | -72.2 | 172.6 | 0 | 0 | 0 | 113.2 | M408 H409 L410 G414 | M408-L412 WeakPolarHBondContact O-CG 3.43Å; M408-L412 PolarHBondContact O-N 3.15Å; H409-L412 PolarHBondContact O-N 3.38Å; L410-L412 VanDerWaalsContact C-N 3.32Å; L410-L412 PolarHBondContact O-N 3.1Å; L412-G414 VanDerWaalsContact C-N 3.29Å |
| 413 | H | 94.8 | Very high | 94 | Very high | 92 Ų | 92 | 64.6 Ų | 64.6 | 43% | 0.426 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 13 | 174 | -68.3 | 80.5 | 0 | 0 | 0 | 113.2 | H409 L410 T411 P456 Q460 | H409-H413 PolarHBondContact O-N 3.4Å; H409-H413 VanDerWaalsContact O-N 3.11Å; H409-H413 PolarHBondContact O-ND1 3.02Å; L410-H413 CarbonylContact O-C 3.52Å; L410-H413 PolarHBondContact O-N 3.37Å; L410-H413 VanDerWaalsContact O-N 3.1Å; T411-H413 PolarHBondContact O-N 3.3Å; H413-P456 HydrophobicContact CB-CB 3.74Å; H413-P456 PolarHBondContact CD2-O 3.14Å; H413-P456 PolarHBondContact NE2-O 3.43Å; H413-Q460 PolarHBondContact CE1-NE2 3.29Å; H413-Q460 PolarHBondContact NE2-NE2 3.46Å |
| 414 | G | 94.8 | Very high | 94.2 | Very high | 70 Ų | 70 | 64.6 Ų | 64.6 | 72% | 0.722 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | 5.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L410 T411 L412 | L410-G414 PolarHBondContact O-N 3.26Å; T411-G414 PolarHBondContact O-N 2.86Å; L412-G414 VanDerWaalsContact C-N 3.29Å |
| 415 | V | 94.9 | Very high | 94.5 | Very high | 31 Ų | 31 | 64 Ų | 64 | 19% | 0.188 | 33% | 0.326 | C | S | . | . | trans | -71.9 | 134.2 | 172.3 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | L410 T411 R417 A420 F453 P456 | L410-V415 HydrophobicContact CB-CB 4.14Å; L410-V415 HydrophobicContact CB-CG2 4.27Å; L410-V415 HydrophobicContact CD2-CG2 4.13Å; L410-V415 WeakPolarHBondContact O-CB 3.44Å; L410-V415 WeakPolarHBondContact O-CG2 3.23Å; L410-V415 PolarHBondContact O-N 3Å; L410-V415 VanDerWaalsContact O-N 3.08Å; T411-V415 WeakPolarHBondContact CA-O 3.08Å; V415-R417 PolarHBondContact O-N 2.95Å; V415-A420 HydrophobicContact CG1-CB 3.99Å; V415-F453 HydrophobicContact CG1-CE1 4.46Å; V415-F453 HydrophobicContact CG1-CE2 4.19Å; V415-F453 HydrophobicContact CG1-CZ 3.69Å; V415-P456 HydrophobicContact CG2-CG 4.43Å | ||
| 416 | D | 96.5 | Very high | 94.7 | Very high | 89 Ų | 89 | 65.1 Ų | 65.1 | 48% | 0.476 | 33% | 0.333 | S | S | . | . | trans | -55.7 | 127 | 174.3 | 178 | -85.3 | 0 | 0 | 0 | 110.6 | Q418 I419 A420 | D416-Q418 VanDerWaalsContact C-N 3.27Å; D416-Q418 PolarHBondContact O-N 3.23Å; D416-Q418 WeakPolarHBondContact OD1-CA 3.35Å; D416-Q418 VanDerWaalsContact OD1-CB 3.28Å; D416-Q418 WeakPolarHBondContact OD1-CB 3.43Å; D416-Q418 PolarHBondContact OD1-N 3.19Å; D416-I419 HydrophobicContact CB-CB 4.14Å; D416-I419 HydrophobicContact CB-CD1 3.88Å; D416-I419 HydrophobicContact CB-CG1 3.96Å; D416-I419 PolarHBondContact O-N 3.5Å; D416-I419 PolarHBondContact OD1-N 2.82Å; D416-A420 WeakPolarHBondContact O-CB 3.38Å; D416-A420 PolarHBondContact O-N 2.86Å | ||
| 417 | R | 95.9 | Very high | 94.7 | Very high | 128 Ų | 128 | 66.1 Ų | 66.1 | 48% | 0.483 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.7 | -37.3 | -175 | -176.8 | -177.2 | 174.5 | -81.9 | -1.1 | 112.3 | L407 T411 V415 H421 | L407-R417 HydrophobicContact CD1-CG 4.27Å; T411-R417 HydrophobicContact CG2-CB 4.27Å; V415-R417 PolarHBondContact O-N 2.95Å; R417-H421 WeakPolarHBondContact O-CB 3.35Å; R417-H421 PolarHBondContact O-N 3.4Å |
| 418 | Q | 96.2 | Very high | 94.6 | Very high | 119 Ų | 119 | 66.6 Ų | 66.6 | 56% | 0.556 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -73.7 | -39.4 | -177.5 | -167.3 | 63.2 | 22.6 | 0 | 0 | 110.9 | D416 H421 E422 | D416-Q418 VanDerWaalsContact C-N 3.27Å; D416-Q418 PolarHBondContact O-N 3.23Å; D416-Q418 WeakPolarHBondContact OD1-CA 3.35Å; D416-Q418 VanDerWaalsContact OD1-CB 3.28Å; D416-Q418 WeakPolarHBondContact OD1-CB 3.43Å; D416-Q418 PolarHBondContact OD1-N 3.19Å; Q418-H421 PolarHBondContact O-N 3.44Å; Q418-E422 WeakPolarHBondContact O-CB 3.29Å; Q418-E422 PolarHBondContact O-N 3.22Å |
| 419 | I | 96.4 | Very high | 94.5 | Very high | 103 Ų | 103 | 67.1 Ų | 67.1 | 53% | 0.528 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.4 | -48.3 | 173.4 | -61.3 | 179.5 | 0 | 0 | 0 | 110.3 | D416 H421 E422 K423 F453 | D416-I419 HydrophobicContact CB-CB 4.14Å; D416-I419 HydrophobicContact CB-CD1 3.88Å; D416-I419 HydrophobicContact CB-CG1 3.96Å; D416-I419 PolarHBondContact O-N 3.5Å; D416-I419 PolarHBondContact OD1-N 2.82Å; I419-H421 PolarHBondContact O-N 3.19Å; I419-E422 PolarHBondContact O-N 2.87Å; I419-K423 WeakPolarHBondContact O-CB 3.08Å; I419-K423 PolarHBondContact O-N 3.01Å; I419-F453 HydrophobicContact CG2-CE2 3.83Å; I419-F453 HydrophobicContact CG2-CZ 4.06Å |
| 420 | A | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59 | -46 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L407 L410 V415 D416 E422 K423 I424 F453 | L407-A420 HydrophobicContact CD1-CB 3.63Å; L410-A420 HydrophobicContact CB-CB 4.14Å; L410-A420 HydrophobicContact CD1-CB 3.99Å; V415-A420 HydrophobicContact CG1-CB 3.99Å; D416-A420 WeakPolarHBondContact O-CB 3.38Å; D416-A420 PolarHBondContact O-N 2.86Å; A420-E422 PolarHBondContact O-N 3.04Å; A420-K423 PolarHBondContact O-N 3.24Å; A420-I424 WeakPolarHBondContact O-CB 3.46Å; A420-I424 WeakPolarHBondContact O-CD1 3.4Å; A420-I424 VanDerWaalsContact O-CG1 3.23Å; A420-I424 WeakPolarHBondContact O-CG1 3.32Å; A420-I424 PolarHBondContact O-N 3.12Å; A420-F453 HydrophobicContact CB-CE1 4.32Å; A420-F453 HydrophobicContact CB-CZ 4.2Å |
| 421 | H | 96.6 | Very high | 94.1 | Very high | 73 Ų | 73 | 70.5 Ų | 70.5 | 34% | 0.338 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 177.8 | 178.4 | -80.6 | 0 | 0 | 0 | 111.7 | L407 R417 Q418 I419 K423 I424 R425 | L407-H421 HydrophobicContact CD1-CB 3.95Å; L407-H421 HydrophobicContact CD2-CB 4.32Å; R417-H421 WeakPolarHBondContact O-CB 3.35Å; R417-H421 PolarHBondContact O-N 3.4Å; Q418-H421 PolarHBondContact O-N 3.44Å; I419-H421 PolarHBondContact O-N 3.19Å; H421-K423 PolarHBondContact O-N 3.44Å; H421-I424 PolarHBondContact O-N 2.69Å; H421-R425 VanDerWaalsContact O-CB 3.26Å; H421-R425 WeakPolarHBondContact O-CB 3.47Å; H421-R425 PolarHBondContact O-N 3.18Å |
| 422 | E | 95.9 | Very high | 93.7 | Very high | 78 Ų | 78 | 74.4 Ų | 74.4 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | -179.5 | -177.5 | 58.1 | -166.1 | 0 | 0 | 112.2 | Q418 I419 A420 R425 C426 | Q418-E422 WeakPolarHBondContact O-CB 3.29Å; Q418-E422 PolarHBondContact O-N 3.22Å; I419-E422 PolarHBondContact O-N 2.87Å; A420-E422 PolarHBondContact O-N 3.04Å; E422-R425 PolarHBondContact O-N 3.27Å; E422-R425 IonicContact OE1-CZ 3.58Å; E422-R425 IonicContact OE1-NE 2.73Å; E422-R425 IonicContact OE1-NH2 2.72Å; E422-R425 PolarHBondContact OE1-NH2 3.18Å; E422-R425 IonicContact OE2-CZ 2.98Å; E422-R425 IonicContact OE2-NE 3.66Å; E422-R425 PolarHBondContact OE2-NE 2.77Å; E422-R425 IonicContact OE2-NH2 3.41Å; E422-R425 PolarHBondContact OE2-NH2 3.32Å; E422-C426 PolarHBondContact O-N 3.47Å; E422-C426 PolarHBondContact O-SG 3.43Å; E422-C426 VanDerWaalsContact O-SG 3.41Å |
| 423 | K | 94.6 | Very high | 93.5 | Very high | 71 Ų | 71 | 73.8 Ų | 73.8 | 31% | 0.309 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 175.8 | -174.7 | 72.7 | 172.2 | -178 | 0 | 111.8 | I419 A420 H421 R425 C426 L427 D451 F453 F454 | I419-K423 WeakPolarHBondContact O-CB 3.08Å; I419-K423 PolarHBondContact O-N 3.01Å; A420-K423 PolarHBondContact O-N 3.24Å; H421-K423 PolarHBondContact O-N 3.44Å; K423-R425 VanDerWaalsContact C-N 3.33Å; K423-R425 PolarHBondContact O-N 3.14Å; K423-C426 PolarHBondContact O-N 3.2Å; K423-L427 PolarHBondContact O-N 3.38Å; K423-L427 VanDerWaalsContact O-N 3.13Å; K423-D451 WeakPolarHBondContact CE-OD2 3.09Å; K423-D451 IonicContact NZ-OD1 3.43Å; K423-D451 PolarHBondContact NZ-OD1 2.77Å; K423-D451 IonicContact NZ-OD2 2.68Å; K423-D451 PolarHBondContact NZ-OD2 3.02Å; K423-F453 HydrophobicContact CB-CD1 4.14Å; K423-F453 HydrophobicContact CB-CE1 3.79Å; K423-F453 HydrophobicContact CB-CZ 4.03Å; K423-F453 HydrophobicContact CD-CG 4.35Å; K423-F453 HydrophobicContact CG-CB 4.49Å; K423-F453 HydrophobicContact CG-CD1 3.57Å; K423-F453 HydrophobicContact CG-CD2 4.37Å; K423-F453 HydrophobicContact CG-CE1 3.78Å; K423-F453 HydrophobicContact CG-CG 3.88Å; K423-F453 HydrophobicContact CG-CZ 4.29Å; K423-F454 HydrophobicContact CG-CE2 4.16Å; K423-F454 HydrophobicContact CG-CZ 3.92Å |
| 424 | I | 94.2 | Very high | 93.2 | Very high | 13 Ų | 13 | 74 Ų | 74 | 7% | 0.067 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 175.6 | -71 | 167.2 | 0 | 0 | 0 | 110.9 | L403 V406 L407 L410 A420 H421 C426 L427 A428 F454 | L403-I424 HydrophobicContact CB-CG2 3.73Å; L403-I424 HydrophobicContact CD1-CG2 4.04Å; L403-I424 HydrophobicContact CD2-CG2 4.18Å; L403-I424 HydrophobicContact CG-CG2 4.19Å; V406-I424 HydrophobicContact CB-CD1 4.49Å; V406-I424 HydrophobicContact CG1-CD1 3.84Å; V406-I424 HydrophobicContact CG1-CG1 4.27Å; L407-I424 HydrophobicContact CB-CD1 3.63Å; L407-I424 HydrophobicContact CD1-CD1 4.1Å; L407-I424 HydrophobicContact CG-CD1 4.45Å; L410-I424 HydrophobicContact CD1-CD1 4.1Å; A420-I424 WeakPolarHBondContact O-CB 3.46Å; A420-I424 WeakPolarHBondContact O-CD1 3.4Å; A420-I424 VanDerWaalsContact O-CG1 3.23Å; A420-I424 WeakPolarHBondContact O-CG1 3.32Å; A420-I424 PolarHBondContact O-N 3.12Å; H421-I424 PolarHBondContact O-N 2.69Å; I424-C426 PolarHBondContact O-N 2.99Å; I424-L427 PolarHBondContact O-N 3.1Å; I424-A428 WeakPolarHBondContact O-CB 3.26Å; I424-A428 PolarHBondContact O-N 3Å; I424-F454 HydrophobicContact CG1-CE1 3.88Å; I424-F454 HydrophobicContact CG1-CZ 4.22Å |
| 425 | R | 93.9 | Very high | 92.9 | Very high | 106 Ų | 106 | 74.1 Ų | 74.1 | 40% | 0.4 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.8 | -46 | 178.3 | -172.7 | -172.4 | 75.6 | 83.2 | 2.7 | 111.4 | H421 E422 K423 A428 L429 | H421-R425 VanDerWaalsContact O-CB 3.26Å; H421-R425 WeakPolarHBondContact O-CB 3.47Å; H421-R425 PolarHBondContact O-N 3.18Å; E422-R425 PolarHBondContact O-N 3.27Å; E422-R425 IonicContact OE1-CZ 3.58Å; E422-R425 IonicContact OE1-NE 2.73Å; E422-R425 IonicContact OE1-NH2 2.72Å; E422-R425 PolarHBondContact OE1-NH2 3.18Å; E422-R425 IonicContact OE2-CZ 2.98Å; E422-R425 IonicContact OE2-NE 3.66Å; E422-R425 PolarHBondContact OE2-NE 2.77Å; E422-R425 IonicContact OE2-NH2 3.41Å; E422-R425 PolarHBondContact OE2-NH2 3.32Å; K423-R425 VanDerWaalsContact C-N 3.33Å; K423-R425 PolarHBondContact O-N 3.14Å; R425-A428 PolarHBondContact O-N 2.81Å; R425-L429 HydrophobicContact CG-CD1 4.27Å; R425-L429 WeakPolarHBondContact O-CB 3.4Å; R425-L429 WeakPolarHBondContact O-CG 3.3Å; R425-L429 PolarHBondContact O-N 3.37Å |
| 426 | C | 93.1 | Very high | 92.6 | Very high | 54 Ų | 54 | 79 Ų | 79 | 37% | 0.365 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 177.1 | -74.9 | 0 | 0 | 0 | 0 | 111.8 | E422 K423 I424 L429 M430 | E422-C426 PolarHBondContact O-N 3.47Å; E422-C426 PolarHBondContact O-SG 3.43Å; E422-C426 VanDerWaalsContact O-SG 3.41Å; K423-C426 PolarHBondContact O-N 3.2Å; I424-C426 PolarHBondContact O-N 2.99Å; C426-L429 PolarHBondContact O-N 2.86Å; C426-M430 WeakPolarHBondContact O-CG 3.3Å; C426-M430 PolarHBondContact O-N 3.23Å |
| 427 | L | 91.7 | Very high | 92.3 | Very high | 21 Ų | 21 | 81.4 Ų | 81.4 | 11% | 0.11 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 175.4 | -74.8 | 171.4 | 0 | 0 | 0 | 112.4 | K423 I424 L429 M430 A431 L448 F454 | K423-L427 PolarHBondContact O-N 3.38Å; K423-L427 VanDerWaalsContact O-N 3.13Å; I424-L427 PolarHBondContact O-N 3.1Å; L427-L429 VanDerWaalsContact C-N 3.33Å; L427-L429 PolarHBondContact O-N 2.95Å; L427-M430 PolarHBondContact O-N 3.09Å; L427-A431 WeakPolarHBondContact O-CB 3.36Å; L427-A431 PolarHBondContact O-N 3.16Å; L427-L448 HydrophobicContact CD1-CD2 4.38Å; L427-F454 HydrophobicContact CD1-CE2 3.37Å; L427-F454 HydrophobicContact CD1-CZ 3.36Å |
| 428 | A | 91.1 | Very high | 92.1 | Very high | 22 Ų | 22 | 78.7 Ų | 78.7 | 18% | 0.182 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L403 I424 R425 A431 R432 | L403-A428 HydrophobicContact CD1-CB 3.7Å; I424-A428 WeakPolarHBondContact O-CB 3.26Å; I424-A428 PolarHBondContact O-N 3Å; R425-A428 PolarHBondContact O-N 2.81Å; A428-A431 PolarHBondContact O-N 2.97Å; A428-R432 VanDerWaalsContact O-CB 3.25Å; A428-R432 WeakPolarHBondContact O-CB 3.23Å; A428-R432 PolarHBondContact O-N 3.03Å |
| 429 | L | 91.5 | Very high | 91.6 | Very high | 90 Ų | 90 | 76.2 Ų | 76.2 | 47% | 0.471 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.1 | -41.2 | 177.2 | -74 | 175.8 | 0 | 0 | 0 | 112.4 | R425 C426 L427 A431 R432 K433 | R425-L429 HydrophobicContact CG-CD1 4.27Å; R425-L429 WeakPolarHBondContact O-CB 3.4Å; R425-L429 WeakPolarHBondContact O-CG 3.3Å; R425-L429 PolarHBondContact O-N 3.37Å; C426-L429 PolarHBondContact O-N 2.86Å; L427-L429 VanDerWaalsContact C-N 3.33Å; L427-L429 PolarHBondContact O-N 2.95Å; L429-A431 VanDerWaalsContact C-N 3.34Å; L429-R432 PolarHBondContact O-N 3.28Å; L429-K433 VanDerWaalsContact O-CB 3.3Å; L429-K433 WeakPolarHBondContact O-CB 3.38Å; L429-K433 PolarHBondContact O-N 3.19Å |
| 430 | M | 90.2 | Very high | 91 | Very high | 128 Ų | 128 | 78.5 Ų | 78.5 | 63% | 0.631 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60 | -47.7 | 173.3 | -73.2 | 175.8 | 63.9 | 0 | 0 | 110.5 | C426 L427 K433 E434 | C426-M430 WeakPolarHBondContact O-CG 3.3Å; C426-M430 PolarHBondContact O-N 3.23Å; L427-M430 PolarHBondContact O-N 3.09Å; M430-K433 PolarHBondContact O-N 2.95Å; M430-E434 PolarHBondContact O-N 3.33Å; M430-E434 VanDerWaalsContact O-N 3.07Å |
| 431 | A | 88.7 | Confident | 90.1 | Very high | 1 Ų | 1 | 83.2 Ų | 83.2 | 1% | 0.008 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F400 L427 A428 L429 K433 E434 R435 I442 L444 | F400-A431 HydrophobicContact CE1-CB 3.88Å; F400-A431 HydrophobicContact CZ-CB 3.89Å; L427-A431 WeakPolarHBondContact O-CB 3.36Å; L427-A431 PolarHBondContact O-N 3.16Å; A428-A431 PolarHBondContact O-N 2.97Å; L429-A431 VanDerWaalsContact C-N 3.34Å; A431-K433 VanDerWaalsContact C-N 3.34Å; A431-K433 PolarHBondContact O-N 3.17Å; A431-E434 PolarHBondContact O-N 3.3Å; A431-R435 WeakPolarHBondContact O-CB 3.44Å; A431-R435 PolarHBondContact O-N 2.9Å; A431-I442 VanDerWaalsContact C-CD1 3.48Å; A431-I442 HydrophobicContact CB-CB 4.38Å; A431-I442 HydrophobicContact CB-CD1 3.88Å; A431-I442 HydrophobicContact CB-CG2 4.23Å; A431-I442 WeakPolarHBondContact O-CD1 3.46Å; A431-L444 HydrophobicContact CB-CD1 4.46Å; A431-L444 HydrophobicContact CB-CD2 3.98Å; A431-L444 HydrophobicContact CB-CG 4.2Å |
| 432 | R | 87.4 | Confident | 89.1 | Confident | 134 Ų | 134 | 80.7 Ų | 80.7 | 51% | 0.506 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 176.6 | -177.4 | 174.9 | 177.5 | 153.8 | 5.7 | 111.9 | A428 L429 E434 R435 E436 | A428-R432 VanDerWaalsContact O-CB 3.25Å; A428-R432 WeakPolarHBondContact O-CB 3.23Å; A428-R432 PolarHBondContact O-N 3.03Å; L429-R432 PolarHBondContact O-N 3.28Å; R432-E434 PolarHBondContact O-N 2.52Å; R432-R435 PolarHBondContact O-N 3.39Å; R432-E436 HydrophobicContact CG-CG 4.44Å; R432-E436 WeakPolarHBondContact CG-OE1 3.46Å; R432-E436 IonicContact CZ-OE1 3.61Å; R432-E436 IonicContact NE-OE1 3.67Å; R432-E436 PolarHBondContact NE-OE1 3.31Å; R432-E436 IonicContact NH2-OE1 3.63Å; R432-E436 WeakPolarHBondContact O-CB 3.39Å; R432-E436 WeakPolarHBondContact O-CG 3.4Å; R432-E436 PolarHBondContact O-N 3.14Å |
| 433 | K | 90.2 | Very high | 88.5 | Confident | 126 Ų | 126 | 80.8 Ų | 80.8 | 55% | 0.548 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 179.1 | -177 | -179.5 | 178.8 | -176.5 | 0 | 111.8 | L429 M430 A431 E436 Q437 | L429-K433 VanDerWaalsContact O-CB 3.3Å; L429-K433 WeakPolarHBondContact O-CB 3.38Å; L429-K433 PolarHBondContact O-N 3.19Å; M430-K433 PolarHBondContact O-N 2.95Å; A431-K433 VanDerWaalsContact C-N 3.34Å; A431-K433 PolarHBondContact O-N 3.17Å; K433-E436 PolarHBondContact O-N 2.85Å; K433-Q437 WeakPolarHBondContact O-CB 3.48Å; K433-Q437 VanDerWaalsContact O-CG 3.24Å; K433-Q437 WeakPolarHBondContact O-CG 3.33Å; K433-Q437 PolarHBondContact O-N 3.21Å |
| 434 | E | 88.3 | Confident | 88 | Confident | 98 Ų | 98 | 77.5 Ų | 77.5 | 46% | 0.458 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71 | -35.8 | 178.3 | 167.7 | -177.8 | -172.2 | 0 | 0 | 112.1 | M430 A431 R432 E436 Q437 T438 I442 | M430-E434 PolarHBondContact O-N 3.33Å; M430-E434 VanDerWaalsContact O-N 3.07Å; A431-E434 PolarHBondContact O-N 3.3Å; R432-E434 PolarHBondContact O-N 2.52Å; E434-E436 VanDerWaalsContact C-N 3.34Å; E434-E436 PolarHBondContact O-N 2.92Å; E434-Q437 PolarHBondContact O-N 2.76Å; E434-T438 HydrophobicContact CG-CG2 4.01Å; E434-T438 WeakPolarHBondContact O-CB 3.38Å; E434-T438 WeakPolarHBondContact O-CG2 3.36Å; E434-T438 PolarHBondContact O-N 2.84Å; E434-T438 PolarHBondContact O-OG1 3.12Å; E434-I442 HydrophobicContact CB-CD1 3.41Å; E434-I442 VanDerWaalsContact CB-CD1 3.41Å; E434-I442 HydrophobicContact CB-CG1 4.42Å; E434-I442 HydrophobicContact CG-CD1 3.48Å; E434-I442 VanDerWaalsContact CG-CD1 3.48Å; E434-I442 HydrophobicContact CG-CG1 3.98Å; E434-I442 WeakPolarHBondContact OE2-CD1 3.4Å |
| 435 | R | 87.8 | Confident | 87.3 | Confident | 72 Ų | 72 | 79.1 Ų | 79.1 | 27% | 0.272 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 171.1 | -176 | 179.5 | -179.7 | -166.2 | -0.9 | 111.2 | E397 A431 R432 Q437 G439 K440 | E397-R435 IonicContact OE1-CZ 2.68Å; E397-R435 IonicContact OE1-NH1 3.31Å; E397-R435 PolarHBondContact OE1-NH1 3.03Å; E397-R435 IonicContact OE1-NH2 2.92Å; E397-R435 PolarHBondContact OE1-NH2 3.01Å; E397-R435 IonicContact OE2-NH1 3.52Å; E397-R435 PolarHBondContact OE2-NH1 3.1Å; A431-R435 WeakPolarHBondContact O-CB 3.44Å; A431-R435 PolarHBondContact O-N 2.9Å; R432-R435 PolarHBondContact O-N 3.39Å; R435-Q437 VanDerWaalsContact C-N 3.32Å; R435-Q437 PolarHBondContact O-N 3.35Å; R435-G439 VanDerWaalsContact O-CA 3.26Å; R435-G439 WeakPolarHBondContact O-CA 3.3Å; R435-G439 PolarHBondContact O-N 3.21Å; R435-K440 WeakPolarHBondContact CA-O 3.37Å |
| 436 | E | 88.3 | Confident | 87 | Confident | 133 Ų | 133 | 80 Ų | 80 | 62% | 0.621 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.8 | -33.8 | 176.7 | -74.2 | 171.3 | -176.8 | 0 | 0 | 112.4 | R432 K433 E434 | R432-E436 HydrophobicContact CG-CG 4.44Å; R432-E436 WeakPolarHBondContact CG-OE1 3.46Å; R432-E436 IonicContact CZ-OE1 3.61Å; R432-E436 IonicContact NE-OE1 3.67Å; R432-E436 PolarHBondContact NE-OE1 3.31Å; R432-E436 IonicContact NH2-OE1 3.63Å; R432-E436 WeakPolarHBondContact O-CB 3.39Å; R432-E436 WeakPolarHBondContact O-CG 3.4Å; R432-E436 PolarHBondContact O-N 3.14Å; K433-E436 PolarHBondContact O-N 2.85Å; E434-E436 VanDerWaalsContact C-N 3.34Å; E434-E436 PolarHBondContact O-N 2.92Å |
| 437 | Q | 91.3 | Very high | 86.7 | Confident | 140 Ų | 140 | 79.5 Ų | 79.5 | 65% | 0.654 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -82.9 | -36.4 | -179.7 | -72.9 | 176.6 | -18.2 | 0 | 0 | 113.9 | K433 E434 R435 | K433-Q437 WeakPolarHBondContact O-CB 3.48Å; K433-Q437 VanDerWaalsContact O-CG 3.24Å; K433-Q437 WeakPolarHBondContact O-CG 3.33Å; K433-Q437 PolarHBondContact O-N 3.21Å; E434-Q437 PolarHBondContact O-N 2.76Å; R435-Q437 VanDerWaalsContact C-N 3.32Å; R435-Q437 PolarHBondContact O-N 3.35Å |
| 438 | T | 90.6 | Very high | 86.6 | Confident | 70 Ų | 70 | 78.5 Ų | 78.5 | 43% | 0.429 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -104.9 | -19.4 | -171.3 | 66.2 | 0 | 0 | 0 | 0 | 113.5 | E434 K440 | E434-T438 HydrophobicContact CG-CG2 4.01Å; E434-T438 WeakPolarHBondContact O-CB 3.38Å; E434-T438 WeakPolarHBondContact O-CG2 3.36Å; E434-T438 PolarHBondContact O-N 2.84Å; E434-T438 PolarHBondContact O-OG1 3.12Å; T438-K440 PolarHBondContact O-N 3.25Å; T438-K440 PolarHBondContact OG1-N 2.75Å; T438-K440 VanDerWaalsContact OG1-N 3.12Å |
| 439 | G | 86.7 | Confident | 86.5 | Confident | 67 Ų | 67 | 79.9 Ų | 79.9 | 69% | 0.691 | 40% | 0.403 | S | S | * | . | trans | 68.6 | 4.5 | -169 | 0 | 0 | 0 | 0 | 0 | 114.2 | R435 | R435-G439 VanDerWaalsContact O-CA 3.26Å; R435-G439 WeakPolarHBondContact O-CA 3.3Å; R435-G439 PolarHBondContact O-N 3.21Å | ||
| 440 | K | 83.4 | Confident | 86.4 | Confident | 152 Ų | 152 | 81.3 Ų | 81.3 | 66% | 0.661 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -96.9 | 144.3 | -178.7 | -63.1 | -178.9 | -179.2 | 179.2 | 0 | 110.5 | R435 T438 | R435-K440 WeakPolarHBondContact CA-O 3.37Å; T438-K440 PolarHBondContact O-N 3.25Å; T438-K440 PolarHBondContact OG1-N 2.75Å; T438-K440 VanDerWaalsContact OG1-N 3.12Å |
| 441 | N | 75.9 | Confident | 86.5 | Confident | 98 Ų | 98 | 77 Ų | 77 | 52% | 0.524 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 138.8 | 168.5 | -69 | -17.6 | 0 | 0 | 0 | 109 | ||
| 442 | I | 76.1 | Confident | 86.8 | Confident | 21 Ų | 21 | 84.1 Ų | 84.1 | 11% | 0.108 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 137.1 | 177.5 | -68.6 | 164.4 | 0 | 0 | 0 | 108.8 | A431 E434 L444 L447 | A431-I442 VanDerWaalsContact C-CD1 3.48Å; A431-I442 HydrophobicContact CB-CB 4.38Å; A431-I442 HydrophobicContact CB-CD1 3.88Å; A431-I442 HydrophobicContact CB-CG2 4.23Å; A431-I442 WeakPolarHBondContact O-CD1 3.46Å; E434-I442 HydrophobicContact CB-CD1 3.41Å; E434-I442 VanDerWaalsContact CB-CD1 3.41Å; E434-I442 HydrophobicContact CB-CG1 4.42Å; E434-I442 HydrophobicContact CG-CD1 3.48Å; E434-I442 VanDerWaalsContact CG-CD1 3.48Å; E434-I442 HydrophobicContact CG-CG1 3.98Å; E434-I442 WeakPolarHBondContact OE2-CD1 3.4Å; I442-L444 PolarHBondContact O-N 3.47Å; I442-L447 HydrophobicContact CG2-CD1 3.66Å; I442-L447 HydrophobicContact CG2-CG 4.47Å |
| 443 | D | 82.9 | Confident | 87.1 | Confident | 80 Ų | 80 | 80.2 Ų | 80.2 | 43% | 0.428 | 41% | 0.407 | S | S | . | . | trans | -74.1 | 78.5 | 174.1 | -168.2 | -8.1 | 0 | 0 | 0 | 110.4 | S445 R446 L447 | D443-S445 PolarHBondContact O-N 3.28Å; D443-S445 WeakPolarHBondContact OD1-CB 3.39Å; D443-S445 PolarHBondContact OD1-N 2.91Å; D443-S445 VanDerWaalsContact OD1-N 3.14Å; D443-S445 PolarHBondContact OD1-OG 3.45Å; D443-R446 HydrophobicContact CB-CB 4.02Å; D443-R446 VanDerWaalsContact CG-CB 3.49Å; D443-R446 WeakPolarHBondContact O-CB 3.33Å; D443-R446 PolarHBondContact O-N 3.35Å; D443-R446 PolarHBondContact OD1-N 3.4Å; D443-R446 WeakPolarHBondContact OD2-CB 3.49Å; D443-L447 PolarHBondContact O-N 3.4Å; D443-L447 VanDerWaalsContact O-N 3.14Å | ||
| 444 | L | 84.2 | Confident | 87.3 | Confident | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.9 | -26.6 | 172.6 | -87.7 | 167.2 | 0 | 0 | 0 | 111.3 | P399 F400 A431 I442 R446 L447 L448 | P399-L444 HydrophobicContact CB-CB 3.7Å; P399-L444 HydrophobicContact CB-CD1 3.71Å; P399-L444 HydrophobicContact CB-CG 4.28Å; F400-L444 HydrophobicContact CD1-CD1 3.77Å; F400-L444 HydrophobicContact CD2-CD1 4.19Å; F400-L444 HydrophobicContact CE1-CD1 3.81Å; F400-L444 HydrophobicContact CE2-CD1 4.21Å; F400-L444 HydrophobicContact CG-CD1 3.97Å; F400-L444 HydrophobicContact CZ-CD1 4.03Å; A431-L444 HydrophobicContact CB-CD1 4.46Å; A431-L444 HydrophobicContact CB-CD2 3.98Å; A431-L444 HydrophobicContact CB-CG 4.2Å; I442-L444 PolarHBondContact O-N 3.47Å; L444-R446 VanDerWaalsContact C-N 3.35Å; L444-L447 HydrophobicContact CD2-CD1 4.15Å; L444-L447 PolarHBondContact O-N 2.88Å; L444-L448 WeakPolarHBondContact O-CB 3.42Å; L444-L448 VanDerWaalsContact O-CG 3.24Å; L444-L448 WeakPolarHBondContact O-CG 3.49Å; L444-L448 PolarHBondContact O-N 3.46Å |
| 445 | S | 81 | Confident | 87.6 | Confident | 48 Ų | 48 | 74.5 Ų | 74.5 | 34% | 0.336 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 176.4 | 80.5 | 0 | 0 | 0 | 0 | 111.2 | D443 L448 A449 | D443-S445 PolarHBondContact O-N 3.28Å; D443-S445 WeakPolarHBondContact OD1-CB 3.39Å; D443-S445 PolarHBondContact OD1-N 2.91Å; D443-S445 VanDerWaalsContact OD1-N 3.14Å; D443-S445 PolarHBondContact OD1-OG 3.45Å; S445-L448 PolarHBondContact O-N 2.84Å; S445-A449 WeakPolarHBondContact O-CB 3.38Å; S445-A449 PolarHBondContact O-N 3.23Å |
| 446 | R | 85.9 | Confident | 87.9 | Confident | 125 Ų | 125 | 73.4 Ų | 73.4 | 47% | 0.472 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 172.5 | -174.6 | 178.7 | 76.9 | 91.2 | 0.8 | 111.9 | D443 L444 L448 A449 E450 | D443-R446 HydrophobicContact CB-CB 4.02Å; D443-R446 VanDerWaalsContact CG-CB 3.49Å; D443-R446 WeakPolarHBondContact O-CB 3.33Å; D443-R446 PolarHBondContact O-N 3.35Å; D443-R446 PolarHBondContact OD1-N 3.4Å; D443-R446 WeakPolarHBondContact OD2-CB 3.49Å; L444-R446 VanDerWaalsContact C-N 3.35Å; R446-L448 VanDerWaalsContact C-N 3.31Å; R446-L448 PolarHBondContact O-N 3.15Å; R446-A449 PolarHBondContact O-N 2.95Å; R446-A449 VanDerWaalsContact O-N 3.15Å; R446-E450 WeakPolarHBondContact CD-OE1 3.44Å; R446-E450 HydrophobicContact CG-CG 4.2Å; R446-E450 WeakPolarHBondContact CG-OE1 3.47Å; R446-E450 IonicContact CZ-OE1 3.41Å; R446-E450 IonicContact CZ-OE2 2.78Å; R446-E450 IonicContact NE-OE1 2.7Å; R446-E450 VanDerWaalsContact NH1-CD 3.32Å; R446-E450 IonicContact NH1-OE1 3.51Å; R446-E450 PolarHBondContact NH1-OE1 3.08Å; R446-E450 IonicContact NH1-OE2 3.5Å; R446-E450 PolarHBondContact NH1-OE2 3.05Å; R446-E450 WeakPolarHBondContact O-CB 3.37Å; R446-E450 WeakPolarHBondContact O-CG 3.24Å; R446-E450 PolarHBondContact O-N 3.3Å |
| 447 | L | 87.3 | Confident | 88.1 | Confident | 43 Ų | 43 | 67 Ų | 67 | 23% | 0.225 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 178.8 | -65.8 | 178.7 | 0 | 0 | 0 | 112.8 | I442 D443 L444 | I442-L447 HydrophobicContact CG2-CD1 3.66Å; I442-L447 HydrophobicContact CG2-CG 4.47Å; D443-L447 PolarHBondContact O-N 3.4Å; D443-L447 VanDerWaalsContact O-N 3.14Å; L444-L447 HydrophobicContact CD2-CD1 4.15Å; L444-L447 PolarHBondContact O-N 2.88Å |
| 448 | L | 90.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -72.4 | -31.8 | 175.7 | -67.4 | 170.4 | 0 | 0 | 0 | 112.2 | L403 V406 L427 L444 S445 R446 F454 W458 L461 | L403-L448 HydrophobicContact CD2-CD1 4.35Å; V406-L448 HydrophobicContact CG1-CD2 4.36Å; V406-L448 HydrophobicContact CG2-CD1 4.11Å; L427-L448 HydrophobicContact CD1-CD2 4.38Å; L444-L448 WeakPolarHBondContact O-CB 3.42Å; L444-L448 VanDerWaalsContact O-CG 3.24Å; L444-L448 WeakPolarHBondContact O-CG 3.49Å; L444-L448 PolarHBondContact O-N 3.46Å; S445-L448 PolarHBondContact O-N 2.84Å; R446-L448 VanDerWaalsContact C-N 3.31Å; R446-L448 PolarHBondContact O-N 3.15Å; L448-F454 HydrophobicContact CD2-CD1 3.59Å; L448-F454 HydrophobicContact CD2-CD2 4.1Å; L448-F454 HydrophobicContact CD2-CE1 3.52Å; L448-F454 HydrophobicContact CD2-CE2 4.06Å; L448-F454 HydrophobicContact CD2-CG 3.9Å; L448-F454 HydrophobicContact CD2-CZ 3.77Å; L448-F454 WeakPolarHBondContact O-CB 3.34Å; L448-W458 PolarHBondContact O-NE1 2.93Å; L448-W458 VanDerWaalsContact O-NE1 3.08Å; L448-L461 HydrophobicContact CB-CD1 4.18Å; L448-L461 HydrophobicContact CB-CD2 4.13Å; L448-L461 HydrophobicContact CD1-CD2 4.18Å |
| 449 | A | 88.8 | Confident | 88.2 | Confident | 51 Ų | 51 | 67 Ų | 67 | 42% | 0.421 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -79.6 | -23.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | S445 R446 W458 L461 | S445-A449 WeakPolarHBondContact O-CB 3.38Å; S445-A449 PolarHBondContact O-N 3.23Å; R446-A449 PolarHBondContact O-N 2.95Å; R446-A449 VanDerWaalsContact O-N 3.15Å; A449-W458 WeakPolarHBondContact O-CZ2 3.34Å; A449-L461 HydrophobicContact CB-CD1 4.39Å |
| 450 | E | 90.1 | Very high | 88.3 | Confident | 120 Ų | 120 | 66.2 Ų | 66.2 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -90.2 | -16.1 | -179.3 | -72.4 | 174.8 | -178.1 | 0 | 0 | 113.6 | R446 | R446-E450 WeakPolarHBondContact CD-OE1 3.44Å; R446-E450 HydrophobicContact CG-CG 4.2Å; R446-E450 WeakPolarHBondContact CG-OE1 3.47Å; R446-E450 IonicContact CZ-OE1 3.41Å; R446-E450 IonicContact CZ-OE2 2.78Å; R446-E450 IonicContact NE-OE1 2.7Å; R446-E450 VanDerWaalsContact NH1-CD 3.32Å; R446-E450 IonicContact NH1-OE1 3.51Å; R446-E450 PolarHBondContact NH1-OE1 3.08Å; R446-E450 IonicContact NH1-OE2 3.5Å; R446-E450 PolarHBondContact NH1-OE2 3.05Å; R446-E450 WeakPolarHBondContact O-CB 3.37Å; R446-E450 WeakPolarHBondContact O-CG 3.24Å; R446-E450 PolarHBondContact O-N 3.3Å |
| 451 | D | 92.3 | Very high | 88.4 | Confident | 37 Ų | 37 | 59.6 Ų | 59.6 | 20% | 0.198 | 31% | 0.305 | C | S | . | . | trans | -100.4 | 114.1 | -176.9 | -173.1 | -24.1 | 0 | 0 | 0 | 111.1 | K423 F453 F454 | K423-D451 WeakPolarHBondContact CE-OD2 3.09Å; K423-D451 IonicContact NZ-OD1 3.43Å; K423-D451 PolarHBondContact NZ-OD1 2.77Å; K423-D451 IonicContact NZ-OD2 2.68Å; K423-D451 PolarHBondContact NZ-OD2 3.02Å; D451-F453 PolarHBondContact O-N 3.25Å; D451-F453 WeakPolarHBondContact OD1-CB 3.48Å; D451-F453 PolarHBondContact OD1-N 3.46Å; D451-F453 VanDerWaalsContact OD1-N 3.07Å; D451-F454 HydrophobicContact CB-CD2 3.8Å; D451-F454 HydrophobicContact CB-CE2 4.09Å; D451-F454 PolarHBondContact O-N 3.31Å | ||
| 452 | E | 94.2 | Very high | 88.7 | Confident | 150 Ų | 150 | 57.9 Ų | 57.9 | 70% | 0.701 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -55.1 | -23.7 | -178.1 | -168.5 | 179.9 | 179.9 | 0 | 0 | 113 | F454 E455 | E452-F454 PolarHBondContact O-N 3.07Å; E452-F454 VanDerWaalsContact O-N 3.13Å; E452-E455 VanDerWaalsContact O-CB 3.26Å; E452-E455 WeakPolarHBondContact O-CB 3.08Å; E452-E455 PolarHBondContact O-N 3.4Å |
| 453 | F | 94.5 | Very high | 89 | Confident | 53 Ų | 53 | 61.9 Ų | 61.9 | 23% | 0.232 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -56.8 | -29.6 | 173.2 | -176.4 | -92.4 | 0 | 0 | 0 | 113.2 | L410 V415 I419 A420 K423 D451 | L410-F453 HydrophobicContact CD1-CE1 3.92Å; V415-F453 HydrophobicContact CG1-CE1 4.46Å; V415-F453 HydrophobicContact CG1-CE2 4.19Å; V415-F453 HydrophobicContact CG1-CZ 3.69Å; I419-F453 HydrophobicContact CG2-CE2 3.83Å; I419-F453 HydrophobicContact CG2-CZ 4.06Å; A420-F453 HydrophobicContact CB-CE1 4.32Å; A420-F453 HydrophobicContact CB-CZ 4.2Å; K423-F453 HydrophobicContact CB-CD1 4.14Å; K423-F453 HydrophobicContact CB-CE1 3.79Å; K423-F453 HydrophobicContact CB-CZ 4.03Å; K423-F453 HydrophobicContact CD-CG 4.35Å; K423-F453 HydrophobicContact CG-CB 4.49Å; K423-F453 HydrophobicContact CG-CD1 3.57Å; K423-F453 HydrophobicContact CG-CD2 4.37Å; K423-F453 HydrophobicContact CG-CE1 3.78Å; K423-F453 HydrophobicContact CG-CG 3.88Å; K423-F453 HydrophobicContact CG-CZ 4.29Å; D451-F453 PolarHBondContact O-N 3.25Å; D451-F453 WeakPolarHBondContact OD1-CB 3.48Å; D451-F453 PolarHBondContact OD1-N 3.46Å; D451-F453 VanDerWaalsContact OD1-N 3.07Å |
| 454 | F | 94.5 | Very high | 89 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -95.8 | 4.4 | -178.6 | -57.9 | -86.9 | 0 | 0 | 0 | 113.4 | V406 L410 K423 I424 L427 L448 D451 E452 P456 I457 W458 | V406-F454 HydrophobicContact CG1-CD1 3.95Å; V406-F454 HydrophobicContact CG1-CE1 3.9Å; L410-F454 HydrophobicContact CD1-CD1 3.81Å; L410-F454 HydrophobicContact CD1-CE1 3.79Å; L410-F454 HydrophobicContact CD2-CD1 4.38Å; K423-F454 HydrophobicContact CG-CE2 4.16Å; K423-F454 HydrophobicContact CG-CZ 3.92Å; I424-F454 HydrophobicContact CG1-CE1 3.88Å; I424-F454 HydrophobicContact CG1-CZ 4.22Å; L427-F454 HydrophobicContact CD1-CE2 3.37Å; L427-F454 HydrophobicContact CD1-CZ 3.36Å; L448-F454 HydrophobicContact CD2-CD1 3.59Å; L448-F454 HydrophobicContact CD2-CD2 4.1Å; L448-F454 HydrophobicContact CD2-CE1 3.52Å; L448-F454 HydrophobicContact CD2-CE2 4.06Å; L448-F454 HydrophobicContact CD2-CG 3.9Å; L448-F454 HydrophobicContact CD2-CZ 3.77Å; L448-F454 WeakPolarHBondContact O-CB 3.34Å; D451-F454 HydrophobicContact CB-CD2 3.8Å; D451-F454 HydrophobicContact CB-CE2 4.09Å; D451-F454 PolarHBondContact O-N 3.31Å; E452-F454 PolarHBondContact O-N 3.07Å; E452-F454 VanDerWaalsContact O-N 3.13Å; F454-P456 VanDerWaalsContact C-N 3.27Å; F454-P456 VanDerWaalsContact O-N 3.16Å; F454-I457 HydrophobicContact CB-CG1 4.2Å; F454-I457 HydrophobicContact CD1-CD1 4.24Å; F454-I457 WeakPolarHBondContact O-CG1 3.46Å; F454-I457 PolarHBondContact O-N 3.49Å; F454-W458 PolarHBondContact O-N 2.97Å |
| 455 | E | 94.2 | Very high | 88.9 | Confident | 104 Ų | 104 | 60.3 Ų | 60.3 | 49% | 0.486 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -46.4 | -43.5 | 176.5 | -178.3 | -176.5 | -165.4 | 0 | 0 | 113.5 | E452 I457 W458 | E452-E455 VanDerWaalsContact O-CB 3.26Å; E452-E455 WeakPolarHBondContact O-CB 3.08Å; E452-E455 PolarHBondContact O-N 3.4Å; E455-I457 PolarHBondContact O-N 3.27Å; E455-W458 HydrophobicContact CB-CD2 4.2Å; E455-W458 HydrophobicContact CB-CE3 4.1Å; E455-W458 HydrophobicContact CB-CH2 4.05Å; E455-W458 HydrophobicContact CB-CZ2 4.15Å; E455-W458 HydrophobicContact CB-CZ3 4.02Å; E455-W458 HydrophobicContact CG-CD2 4.35Å; E455-W458 HydrophobicContact CG-CE3 3.81Å; E455-W458 HydrophobicContact CG-CH2 4.25Å; E455-W458 HydrophobicContact CG-CZ3 3.75Å; E455-W458 PolarHBondContact O-N 3.02Å |
| 456 | P | 93.9 | Very high | 88.9 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 31% | 0.312 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -59.5 | -20.3 | -178.5 | -25.4 | 35.4 | 0 | 0 | 0 | 114.9 | H413 V415 F454 | H413-P456 HydrophobicContact CB-CB 3.74Å; H413-P456 PolarHBondContact CD2-O 3.14Å; H413-P456 PolarHBondContact NE2-O 3.43Å; V415-P456 HydrophobicContact CG2-CG 4.43Å; F454-P456 VanDerWaalsContact C-N 3.27Å; F454-P456 VanDerWaalsContact O-N 3.16Å |
| 457 | I | 93 | Very high | 88.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -114 | 1.2 | -177.4 | 65.9 | 158.8 | 0 | 0 | 0 | 114.2 | V406 H409 L410 F454 E455 P459 Q460 L461 L464 | V406-I457 HydrophobicContact CB-CD1 4.21Å; V406-I457 HydrophobicContact CG1-CD1 3.63Å; V406-I457 HydrophobicContact CG2-CD1 4.13Å; H409-I457 HydrophobicContact CB-CG2 3.7Å; L410-I457 HydrophobicContact CD2-CD1 4.44Å; L410-I457 HydrophobicContact CD2-CG1 4.19Å; L410-I457 HydrophobicContact CD2-CG2 3.96Å; L410-I457 HydrophobicContact CG-CD1 4.29Å; L410-I457 HydrophobicContact CG-CG2 4.11Å; F454-I457 HydrophobicContact CB-CG1 4.2Å; F454-I457 HydrophobicContact CD1-CD1 4.24Å; F454-I457 WeakPolarHBondContact O-CG1 3.46Å; F454-I457 PolarHBondContact O-N 3.49Å; E455-I457 PolarHBondContact O-N 3.27Å; I457-P459 VanDerWaalsContact C-N 3.3Å; I457-Q460 PolarHBondContact O-N 3.3Å; I457-Q460 PolarHBondContact O-OE1 2.83Å; I457-Q460 VanDerWaalsContact O-OE1 3.05Å; I457-L461 HydrophobicContact CD1-CD2 3.78Å; I457-L461 HydrophobicContact CG1-CD2 4.24Å; I457-L461 PolarHBondContact O-N 3.36Å; I457-L461 VanDerWaalsContact O-N 3.08Å; I457-L464 HydrophobicContact CD1-CD1 4.13Å |
| 458 | W | 92.9 | Very high | 87.9 | Confident | 98 Ų | 98 | 58.3 Ų | 58.3 | 37% | 0.371 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -52 | -41.2 | 177.9 | -73.3 | -7.9 | 0 | 0 | 0 | 113.6 | L448 A449 F454 E455 Q460 L461 | L448-W458 PolarHBondContact O-NE1 2.93Å; L448-W458 VanDerWaalsContact O-NE1 3.08Å; A449-W458 WeakPolarHBondContact O-CZ2 3.34Å; F454-W458 PolarHBondContact O-N 2.97Å; E455-W458 HydrophobicContact CB-CD2 4.2Å; E455-W458 HydrophobicContact CB-CE3 4.1Å; E455-W458 HydrophobicContact CB-CH2 4.05Å; E455-W458 HydrophobicContact CB-CZ2 4.15Å; E455-W458 HydrophobicContact CB-CZ3 4.02Å; E455-W458 HydrophobicContact CG-CD2 4.35Å; E455-W458 HydrophobicContact CG-CE3 3.81Å; E455-W458 HydrophobicContact CG-CH2 4.25Å; E455-W458 HydrophobicContact CG-CZ3 3.75Å; E455-W458 PolarHBondContact O-N 3.02Å; W458-Q460 PolarHBondContact O-N 3.14Å; W458-Q460 VanDerWaalsContact O-N 3.15Å; W458-L461 HydrophobicContact CG-CD1 4.38Å; W458-L461 PolarHBondContact O-N 3.43Å |
| 459 | P | 91.1 | Very high | 87.4 | Confident | 110 Ų | 110 | 64.1 Ų | 64.1 | 71% | 0.714 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -60.1 | -24.5 | 176.1 | -24.5 | 35.1 | 0 | 0 | 0 | 114.4 | I457 | I457-P459 VanDerWaalsContact C-N 3.3Š|
| 460 | Q | 87.9 | Confident | 87.3 | Confident | 51 Ų | 51 | 63 Ų | 63 | 24% | 0.238 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -101.6 | -13.3 | -176.5 | -57.4 | 86.8 | -14.5 | 0 | 0 | 113.1 | H413 I457 W458 G462 N463 L464 | H413-Q460 PolarHBondContact CE1-NE2 3.29Å; H413-Q460 PolarHBondContact NE2-NE2 3.46Å; I457-Q460 PolarHBondContact O-N 3.3Å; I457-Q460 PolarHBondContact O-OE1 2.83Å; I457-Q460 VanDerWaalsContact O-OE1 3.05Å; W458-Q460 PolarHBondContact O-N 3.14Å; W458-Q460 VanDerWaalsContact O-N 3.15Å; Q460-G462 VanDerWaalsContact C-N 3.29Å; Q460-G462 PolarHBondContact O-N 3.21Å; Q460-G462 VanDerWaalsContact O-N 3.16Å; Q460-N463 PolarHBondContact O-N 2.95Å; Q460-L464 HydrophobicContact CB-CD1 4.07Å; Q460-L464 HydrophobicContact CB-CG 4.18Å; Q460-L464 WeakPolarHBondContact O-CG 3.42Å; Q460-L464 PolarHBondContact O-N 3.07Å |
| 461 | L | 85.2 | Confident | 87.5 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 7% | 0.068 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -51.7 | -43.4 | -172.5 | -81.2 | -178.1 | 0 | 0 | 0 | 113.3 | L448 A449 I457 W458 N463 L464 L465 | L448-L461 HydrophobicContact CB-CD1 4.18Å; L448-L461 HydrophobicContact CB-CD2 4.13Å; L448-L461 HydrophobicContact CD1-CD2 4.18Å; A449-L461 HydrophobicContact CB-CD1 4.39Å; I457-L461 HydrophobicContact CD1-CD2 3.78Å; I457-L461 HydrophobicContact CG1-CD2 4.24Å; I457-L461 PolarHBondContact O-N 3.36Å; I457-L461 VanDerWaalsContact O-N 3.08Å; W458-L461 HydrophobicContact CG-CD1 4.38Å; W458-L461 PolarHBondContact O-N 3.43Å; L461-N463 VanDerWaalsContact C-N 3.3Å; L461-N463 PolarHBondContact O-N 3.4Å; L461-L464 PolarHBondContact O-N 3.32Å; L461-L465 WeakPolarHBondContact O-CB 3.3Å; L461-L465 VanDerWaalsContact O-CG 3.23Å; L461-L465 WeakPolarHBondContact O-CG 2.89Å; L461-L465 PolarHBondContact O-N 2.94Å |
| 462 | G | 82 | Confident | 87.5 | Confident | 63 Ų | 63 | 59.8 Ų | 59.8 | 65% | 0.649 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -58.6 | -39.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q460 | Q460-G462 VanDerWaalsContact C-N 3.29Å; Q460-G462 PolarHBondContact O-N 3.21Å; Q460-G462 VanDerWaalsContact O-N 3.16Å |
| 463 | N | 83.3 | Confident | 87.6 | Confident | 105 Ų | 105 | 57.7 Ų | 57.7 | 56% | 0.561 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -74 | -41.2 | 176.3 | -67.7 | -20.8 | 0 | 0 | 0 | 111.2 | Q460 L461 L465 G466 H469 | Q460-N463 PolarHBondContact O-N 2.95Å; L461-N463 VanDerWaalsContact C-N 3.3Å; L461-N463 PolarHBondContact O-N 3.4Å; N463-L465 PolarHBondContact O-N 2.87Å; N463-G466 PolarHBondContact O-N 3.48Å; N463-G466 VanDerWaalsContact O-N 3.09Å; N463-H469 PolarHBondContact O-ND1 3.33Å |
| 464 | L | 83.7 | Confident | 87.7 | Confident | 11 Ų | 11 | 55.6 Ų | 55.6 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.8 | -24.7 | 178.6 | -65 | 175.9 | 0 | 0 | 0 | 112.9 | S402 V406 H409 I457 Q460 L461 H470 | S402-L464 WeakPolarHBondContact CB-O 3.5Å; V406-L464 HydrophobicContact CG2-CD1 4.37Å; H409-L464 HydrophobicContact CB-CD1 4.27Å; H409-L464 WeakPolarHBondContact CE1-CD2 3.25Å; H409-L464 WeakPolarHBondContact ND1-CD2 3.35Å; I457-L464 HydrophobicContact CD1-CD1 4.13Å; Q460-L464 HydrophobicContact CB-CD1 4.07Å; Q460-L464 HydrophobicContact CB-CG 4.18Å; Q460-L464 WeakPolarHBondContact O-CG 3.42Å; Q460-L464 PolarHBondContact O-N 3.07Å; L461-L464 PolarHBondContact O-N 3.32Å; L464-H470 PolarHBondContact O-CE1 3.18Å; L464-H470 PolarHBondContact O-NE2 3.36Å |
| 465 | L | 81 | Confident | 87.9 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 19% | 0.194 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 0.3 | 178.6 | -64.5 | 168.8 | 0 | 0 | 0 | 113.2 | L398 S402 L461 N463 | L398-L465 WeakPolarHBondContact CD2-O 3.24Å; S402-L465 WeakPolarHBondContact OG-CD2 3.47Å; L461-L465 WeakPolarHBondContact O-CB 3.3Å; L461-L465 VanDerWaalsContact O-CG 3.23Å; L461-L465 WeakPolarHBondContact O-CG 2.89Å; L461-L465 PolarHBondContact O-N 2.94Å; N463-L465 PolarHBondContact O-N 2.87Å |
| 466 | G | 81.1 | Confident | 88.1 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 24% | 0.237 | 34% | 0.343 | C | S | . | . | trans | -86.2 | 128.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N463 D468 H469 H470 | N463-G466 PolarHBondContact O-N 3.48Å; N463-G466 VanDerWaalsContact O-N 3.09Å; G466-D468 VanDerWaalsContact C-N 3.31Å; G466-D468 PolarHBondContact O-N 3.42Å; G466-H469 PolarHBondContact O-N 3.02Å; G466-H470 PolarHBondContact O-CD2 3.37Å | ||
| 467 | A | 75.5 | Confident | 88.3 | Confident | 23 Ų | 23 | 61 Ų | 61 | 19% | 0.19 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -57.9 | -38.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114 | L181 V394 L398 H469 H470 | L181-A467 HydrophobicContact CD1-CB 4.01Å; V394-A467 HydrophobicContact CG1-CB 3.81Å; L398-A467 HydrophobicContact CD1-CB 4.34Å; L398-A467 HydrophobicContact CD2-CB 3.89Å; A467-H469 PolarHBondContact O-N 3.39Å; A467-H469 VanDerWaalsContact O-N 3.14Å; A467-H470 PolarHBondContact O-N 3.1Å |
| 468 | D | 76.1 | Confident | 88.6 | Confident | 128 Ų | 128 | 61 Ų | 61 | 68% | 0.684 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -63.2 | -20.8 | -177 | -67.2 | -27.1 | 0 | 0 | 0 | 113.2 | G466 H470 | G466-D468 VanDerWaalsContact C-N 3.31Å; G466-D468 PolarHBondContact O-N 3.42Å; D468-H470 VanDerWaalsContact C-N 3.32Å |
| 469 | H | 80.4 | Confident | 88.9 | Confident | 121 Ų | 121 | 58.7 Ų | 58.7 | 56% | 0.56 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -80.3 | -12.5 | 177 | -59.6 | 109.7 | 0 | 0 | 0 | 113.3 | N463 G466 A467 | N463-H469 PolarHBondContact O-ND1 3.33Å; G466-H469 PolarHBondContact O-N 3.02Å; A467-H469 PolarHBondContact O-N 3.39Å; A467-H469 VanDerWaalsContact O-N 3.14Å |
| 470 | H | 87.5 | Confident | 89.2 | Confident | 27 Ų | 27 | 58.1 Ų | 58.1 | 13% | 0.125 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -106.6 | 3.8 | -174.1 | -57.1 | -79.3 | 0 | 0 | 0 | 114.2 | L181 S405 L464 G466 A467 D468 G472 | L181-H470 HydrophobicContact CB-CB 4.2Å; L181-H470 HydrophobicContact CD1-CB 4.08Å; L181-H470 HydrophobicContact CG-CB 4.2Å; S405-H470 PolarHBondContact OG-CE1 3.33Å; S405-H470 VanDerWaalsContact OG-CE1 3.3Å; S405-H470 PolarHBondContact OG-ND1 3.11Å; L464-H470 PolarHBondContact O-CE1 3.18Å; L464-H470 PolarHBondContact O-NE2 3.36Å; G466-H470 PolarHBondContact O-CD2 3.37Å; A467-H470 PolarHBondContact O-N 3.1Å; D468-H470 VanDerWaalsContact C-N 3.32Å; H470-G472 VanDerWaalsContact C-N 3.35Å |
| 471 | V | 92.6 | Very high | 89.7 | Confident | 25 Ų | 25 | 57 Ų | 57 | 15% | 0.152 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -87.6 | -2.7 | 176.2 | -59.6 | 0 | 0 | 0 | 0 | 113.5 | A169 L181 T183 L473 C474 | A169-V471 HydrophobicContact CB-CG1 3.67Å; L181-V471 HydrophobicContact CB-CG1 4.3Å; T183-V471 HydrophobicContact CG2-CB 3.89Å; T183-V471 HydrophobicContact CG2-CG1 3.89Å; T183-V471 HydrophobicContact CG2-CG2 4.43Å; V471-L473 PolarHBondContact O-N 2.78Å; V471-C474 HydrophobicContact CB-CB 4.5Å; V471-C474 VanDerWaalsContact O-CB 3.23Å; V471-C474 WeakPolarHBondContact O-CB 3.38Å; V471-C474 PolarHBondContact O-N 3.43Å; V471-C474 VanDerWaalsContact O-N 3.14Å; V471-C474 PolarHBondContact O-SG 2.98Å |
| 472 | G | 92.9 | Very high | 90.3 | Very high | 66 Ų | 66 | 56.7 Ų | 56.7 | 68% | 0.68 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | -132.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | H470 C474 | H470-G472 VanDerWaalsContact C-N 3.35Å; G472-C474 VanDerWaalsContact C-N 3.29Å; G472-C474 PolarHBondContact O-N 2.99Å |
| 473 | L | 96.4 | Very high | 91 | Very high | 105 Ų | 105 | 60.7 Ų | 60.7 | 55% | 0.55 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 15.2 | -178.5 | -60.1 | 179.8 | 0 | 0 | 0 | 113.9 | V471 A475 R476 Q477 | V471-L473 PolarHBondContact O-N 2.78Å; L473-A475 PolarHBondContact O-N 2.98Å; L473-R476 PolarHBondContact O-N 3.16Å; L473-R476 VanDerWaalsContact O-N 3.16Å; L473-Q477 HydrophobicContact CB-CG 4.05Å; L473-Q477 WeakPolarHBondContact O-CB 3.47Å; L473-Q477 VanDerWaalsContact O-CG 3.28Å; L473-Q477 WeakPolarHBondContact O-CG 3.16Å; L473-Q477 PolarHBondContact O-N 3.12Å |
| 474 | C | 97.9 | Very high | 91.7 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 7% | 0.068 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -51.1 | -53.8 | -170.5 | -80.7 | 0 | 0 | 0 | 0 | 113.4 | T182 T183 K186 V471 G472 R476 Q477 V478 | T182-C474 PolarHBondContact OG1-SG 3.27Å; T183-C474 HydrophobicContact CG2-CB 3.68Å; K186-C474 HydrophobicContact CB-CB 3.93Å; K186-C474 HydrophobicContact CG-CB 4.33Å; V471-C474 HydrophobicContact CB-CB 4.5Å; V471-C474 VanDerWaalsContact O-CB 3.23Å; V471-C474 WeakPolarHBondContact O-CB 3.38Å; V471-C474 PolarHBondContact O-N 3.43Å; V471-C474 VanDerWaalsContact O-N 3.14Å; V471-C474 PolarHBondContact O-SG 2.98Å; G472-C474 VanDerWaalsContact C-N 3.29Å; G472-C474 PolarHBondContact O-N 2.99Å; C474-R476 PolarHBondContact O-N 3.34Å; C474-Q477 PolarHBondContact O-N 3.08Å; C474-V478 WeakPolarHBondContact O-CG2 3.38Å; C474-V478 PolarHBondContact O-N 2.95Å |
| 475 | A | 97.7 | Very high | 92.3 | Very high | 18 Ų | 18 | 65.7 Ų | 65.7 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | K166 H167 L473 Q477 V478 D479 | K166-A475 HydrophobicContact CB-CB 4.41Å; K166-A475 HydrophobicContact CD-CB 4.34Å; K166-A475 HydrophobicContact CG-CB 4.16Å; H167-A475 WeakPolarHBondContact CE1-CB 3.28Å; L473-A475 PolarHBondContact O-N 2.98Å; A475-Q477 VanDerWaalsContact C-N 3.34Å; A475-Q477 PolarHBondContact O-N 2.99Å; A475-V478 PolarHBondContact O-N 3.44Å; A475-D479 PolarHBondContact O-N 3.41Å |
| 476 | R | 98 | Very high | 93 | Very high | 171 Ų | 171 | 64 Ų | 64 | 65% | 0.645 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.6 | -41.3 | 177 | 179.8 | 176.8 | 172.7 | 173.2 | -0.5 | 111.7 | L473 C474 V478 D479 E480 | L473-R476 PolarHBondContact O-N 3.16Å; L473-R476 VanDerWaalsContact O-N 3.16Å; C474-R476 PolarHBondContact O-N 3.34Å; R476-V478 VanDerWaalsContact C-N 3.34Å; R476-D479 PolarHBondContact O-N 2.97Å; R476-E480 WeakPolarHBondContact O-CB 3.43Å; R476-E480 PolarHBondContact O-N 3.46Å |
| 477 | Q | 98.6 | Very high | 93.6 | Very high | 76 Ų | 76 | 65.4 Ų | 65.4 | 36% | 0.355 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.1 | -36.6 | 177.4 | -71.7 | 171.8 | -13.5 | 0 | 0 | 111.9 | K186 L473 C474 A475 F481 | K186-Q477 HydrophobicContact CD-CB 4.26Å; L473-Q477 HydrophobicContact CB-CG 4.05Å; L473-Q477 WeakPolarHBondContact O-CB 3.47Å; L473-Q477 VanDerWaalsContact O-CG 3.28Å; L473-Q477 WeakPolarHBondContact O-CG 3.16Å; L473-Q477 PolarHBondContact O-N 3.12Å; C474-Q477 PolarHBondContact O-N 3.08Å; A475-Q477 VanDerWaalsContact C-N 3.34Å; A475-Q477 PolarHBondContact O-N 2.99Å; Q477-F481 VanDerWaalsContact O-CB 3.28Å; Q477-F481 WeakPolarHBondContact O-CB 3.46Å; Q477-F481 PolarHBondContact O-N 3.47Å |
| 478 | V | 98.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.3 | -49.3 | 171.9 | 172.8 | 0 | 0 | 0 | 0 | 110.1 | A162 K166 K186 A189 C474 A475 R476 E480 F481 V482 | A162-V478 HydrophobicContact CB-CG1 4.19Å; K166-V478 HydrophobicContact CB-CB 4.09Å; K166-V478 HydrophobicContact CB-CG1 3.99Å; K166-V478 HydrophobicContact CB-CG2 4.21Å; K186-V478 HydrophobicContact CB-CG2 4.14Å; K186-V478 HydrophobicContact CD-CG2 4.43Å; A189-V478 HydrophobicContact CB-CG2 4.25Å; C474-V478 WeakPolarHBondContact O-CG2 3.38Å; C474-V478 PolarHBondContact O-N 2.95Å; A475-V478 PolarHBondContact O-N 3.44Å; R476-V478 VanDerWaalsContact C-N 3.34Å; V478-E480 VanDerWaalsContact C-N 3.33Å; V478-E480 PolarHBondContact O-N 3.49Å; V478-F481 PolarHBondContact O-N 3.15Å; V478-V482 HydrophobicContact CG1-CG2 4.28Å; V478-V482 WeakPolarHBondContact O-CB 3.4Å; V478-V482 VanDerWaalsContact O-CG2 3.28Å; V478-V482 WeakPolarHBondContact O-CG2 3.26Å; V478-V482 PolarHBondContact O-N 3.38Å |
| 479 | D | 98.6 | Very high | 95 | Very high | 49 Ų | 49 | 62.5 Ų | 62.5 | 26% | 0.262 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 179.9 | -71.5 | -31.2 | 0 | 0 | 0 | 112.3 | K166 A475 R476 R483 | K166-D479 IonicContact NZ-OD1 2.86Å; K166-D479 PolarHBondContact NZ-OD1 3.49Å; K166-D479 IonicContact NZ-OD2 2.81Å; K166-D479 PolarHBondContact NZ-OD2 2.84Å; A475-D479 PolarHBondContact O-N 3.41Å; R476-D479 PolarHBondContact O-N 2.97Å; D479-R483 WeakPolarHBondContact O-CB 3.35Å; D479-R483 PolarHBondContact O-N 3.03Å |
| 480 | E | 98.3 | Very high | 95.4 | Very high | 99 Ų | 99 | 57.7 Ų | 57.7 | 46% | 0.463 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.1 | -47.9 | 176.2 | -167.9 | 178.1 | 159.2 | 0 | 0 | 111.5 | R476 V478 V482 R483 H484 | R476-E480 WeakPolarHBondContact O-CB 3.43Å; R476-E480 PolarHBondContact O-N 3.46Å; V478-E480 VanDerWaalsContact C-N 3.33Å; V478-E480 PolarHBondContact O-N 3.49Å; E480-V482 PolarHBondContact O-N 3.39Å; E480-R483 PolarHBondContact O-N 2.79Å; E480-H484 WeakPolarHBondContact O-CB 3.45Å; E480-H484 PolarHBondContact O-CD2 3.13Å; E480-H484 PolarHBondContact O-N 3.36Å |
| 481 | F | 98.5 | Very high | 95 | Very high | 26 Ų | 26 | 64.5 Ų | 64.5 | 11% | 0.114 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61 | -46.6 | 177.9 | 179.2 | -111.3 | 0 | 0 | 0 | 111.7 | A189 A192 Q193 L196 Q477 V478 K485 L486 | A189-F481 HydrophobicContact CB-CD1 4.07Å; A192-F481 HydrophobicContact CB-CE1 3.75Å; A192-F481 HydrophobicContact CB-CZ 4.3Å; Q193-F481 HydrophobicContact CB-CE2 4.13Å; Q193-F481 HydrophobicContact CB-CZ 3.95Å; Q193-F481 HydrophobicContact CG-CE2 4.25Å; L196-F481 HydrophobicContact CD2-CE2 4.04Å; L196-F481 HydrophobicContact CD2-CZ 4.05Å; Q477-F481 VanDerWaalsContact O-CB 3.28Å; Q477-F481 WeakPolarHBondContact O-CB 3.46Å; Q477-F481 PolarHBondContact O-N 3.47Å; V478-F481 PolarHBondContact O-N 3.15Å; F481-K485 HydrophobicContact CD2-CB 3.77Å; F481-K485 HydrophobicContact CD2-CG 3.76Å; F481-K485 HydrophobicContact CE2-CB 3.68Å; F481-K485 HydrophobicContact CE2-CG 3.93Å; F481-K485 HydrophobicContact CZ-CB 4.39Å; F481-K485 WeakPolarHBondContact O-CA 3.34Å; F481-K485 WeakPolarHBondContact O-CB 3.23Å; F481-K485 PolarHBondContact O-N 3.32Å; F481-L486 HydrophobicContact CD1-CD1 4.05Å; F481-L486 HydrophobicContact CD1-CG 4.13Å; F481-L486 HydrophobicContact CE1-CD1 3.65Å; F481-L486 HydrophobicContact CE1-CD2 3.85Å; F481-L486 HydrophobicContact CE1-CG 3.65Å; F481-L486 HydrophobicContact CZ-CD1 4.5Å; F481-L486 HydrophobicContact CZ-CD2 3.88Å; F481-L486 HydrophobicContact CZ-CG 4.08Å; F481-L486 PolarHBondContact O-N 3.35Å |
| 482 | V | 97.6 | Very high | 93.7 | Very high | 8 Ų | 8 | 67.9 Ų | 67.9 | 5% | 0.048 | 34% | 0.342 | C | S | . | . | I | π-helix | trans | -60.3 | -53 | 177.6 | 171.6 | 0 | 0 | 0 | 0 | 110.1 | R159 V163 V478 E480 H484 L486 E487 | R159-V482 HydrophobicContact CG-CG1 3.85Å; R159-V482 HydrophobicContact CG-CG2 4.03Å; V163-V482 HydrophobicContact CG2-CG1 4.43Å; V163-V482 HydrophobicContact CG2-CG2 3.9Å; V478-V482 HydrophobicContact CG1-CG2 4.28Å; V478-V482 WeakPolarHBondContact O-CB 3.4Å; V478-V482 VanDerWaalsContact O-CG2 3.28Å; V478-V482 WeakPolarHBondContact O-CG2 3.26Å; V478-V482 PolarHBondContact O-N 3.38Å; E480-V482 PolarHBondContact O-N 3.39Å; V482-H484 PolarHBondContact O-N 2.85Å; V482-L486 HydrophobicContact CG2-CD1 4.23Å; V482-L486 PolarHBondContact O-N 3.48Å; V482-E487 HydrophobicContact CG1-CG 3.88Å; V482-E487 WeakPolarHBondContact CG1-OE1 3.49Å; V482-E487 WeakPolarHBondContact O-CG 3.34Å; V482-E487 PolarHBondContact O-N 3.47Å |
| 483 | R | 97 | Very high | 92.2 | Very high | 146 Ų | 146 | 66.3 Ų | 66.3 | 55% | 0.551 | 32% | 0.321 | S | S | * | . | I | π-helix | trans | -60.1 | -45.6 | -176.2 | -171.6 | -172.7 | -51.9 | 116.3 | 3.4 | 113 | D479 E480 | D479-R483 WeakPolarHBondContact O-CB 3.35Å; D479-R483 PolarHBondContact O-N 3.03Å; E480-R483 PolarHBondContact O-N 2.79Å |
| 484 | H | 97.2 | Very high | 90.3 | Very high | 107 Ų | 107 | 69.4 Ų | 69.4 | 50% | 0.495 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -97.1 | -18.9 | -169.1 | -61.7 | -67.4 | 0 | 0 | 0 | 114 | E480 V482 | E480-H484 WeakPolarHBondContact O-CB 3.45Å; E480-H484 PolarHBondContact O-CD2 3.13Å; E480-H484 PolarHBondContact O-N 3.36Å; V482-H484 PolarHBondContact O-N 2.85Å |
| 485 | K | 96.6 | Very high | 88.5 | Confident | 115 Ų | 115 | 72.5 Ų | 72.5 | 50% | 0.5 | 35% | 0.353 | S | S | . | . | I | π-helix | trans | -118.7 | -47.2 | -175.5 | -57.5 | -63.8 | -174.7 | 175.2 | 0 | 113.4 | L196 F481 I489 | L196-K485 HydrophobicContact CD2-CB 3.76Å; F481-K485 HydrophobicContact CD2-CB 3.77Å; F481-K485 HydrophobicContact CD2-CG 3.76Å; F481-K485 HydrophobicContact CE2-CB 3.68Å; F481-K485 HydrophobicContact CE2-CG 3.93Å; F481-K485 HydrophobicContact CZ-CB 4.39Å; F481-K485 WeakPolarHBondContact O-CA 3.34Å; F481-K485 WeakPolarHBondContact O-CB 3.23Å; F481-K485 PolarHBondContact O-N 3.32Å; K485-I489 WeakPolarHBondContact O-CD1 3.46Å |
| 486 | L | 95.7 | Very high | 86.4 | Confident | 1 Ų | 1 | 76.4 Ų | 76.4 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | I | π-helix | trans | -84.9 | -47.9 | -175.7 | -59.6 | -176.1 | 0 | 0 | 0 | 113.5 | L155 R159 A192 L196 F481 V482 P488 I489 F490 | L155-L486 HydrophobicContact CD2-CD2 4.16Å; R159-L486 HydrophobicContact CB-CD1 3.65Å; R159-L486 HydrophobicContact CG-CD1 3.95Å; A192-L486 HydrophobicContact CB-CD1 4.28Å; L196-L486 HydrophobicContact CD2-CD2 4.25Å; F481-L486 HydrophobicContact CD1-CD1 4.05Å; F481-L486 HydrophobicContact CD1-CG 4.13Å; F481-L486 HydrophobicContact CE1-CD1 3.65Å; F481-L486 HydrophobicContact CE1-CD2 3.85Å; F481-L486 HydrophobicContact CE1-CG 3.65Å; F481-L486 HydrophobicContact CZ-CD1 4.5Å; F481-L486 HydrophobicContact CZ-CD2 3.88Å; F481-L486 HydrophobicContact CZ-CG 4.08Å; F481-L486 PolarHBondContact O-N 3.35Å; V482-L486 HydrophobicContact CG2-CD1 4.23Å; V482-L486 PolarHBondContact O-N 3.48Å; L486-P488 VanDerWaalsContact C-CD 3.45Å; L486-I489 WeakPolarHBondContact O-CB 3.47Å; L486-I489 PolarHBondContact O-N 3.33Å; L486-F490 HydrophobicContact CB-CE2 3.83Å; L486-F490 HydrophobicContact CB-CZ 4.26Å; L486-F490 WeakPolarHBondContact O-CD2 3.26Å; L486-F490 WeakPolarHBondContact O-CE2 3.28Å; L486-F490 PolarHBondContact O-N 3.36Å |
| 487 | E | 93.1 | Very high | 84.7 | Confident | 53 Ų | 53 | 74.6 Ų | 74.6 | 25% | 0.248 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -56.8 | -39.9 | -177.7 | -66.5 | -62.8 | 163.2 | 0 | 0 | 114 | R159 V482 I489 F490 K491 | R159-E487 IonicContact CZ-OE1 3.37Å; R159-E487 IonicContact NE-OE1 3.43Å; R159-E487 PolarHBondContact NE-OE1 3.33Å; R159-E487 IonicContact NH2-OE1 3.84Å; R159-E487 PolarHBondContact NH2-OE1 2.78Å; V482-E487 HydrophobicContact CG1-CG 3.88Å; V482-E487 WeakPolarHBondContact CG1-OE1 3.49Å; V482-E487 WeakPolarHBondContact O-CG 3.34Å; V482-E487 PolarHBondContact O-N 3.47Å; E487-I489 PolarHBondContact O-N 2.99Å; E487-F490 PolarHBondContact O-N 2.94Å; E487-F490 VanDerWaalsContact O-N 3.14Å; E487-K491 PolarHBondContact O-N 3.24Å |
| 488 | P | 92.8 | Very high | 83.2 | Confident | 69 Ų | 69 | 71.8 Ų | 71.8 | 45% | 0.448 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.8 | -32.4 | 176.1 | -26.7 | 36.3 | 0 | 0 | 0 | 113.9 | L486 | L486-P488 VanDerWaalsContact C-CD 3.45Å |
| 489 | I | 89.5 | Confident | 82.1 | Confident | 21 Ų | 21 | 74.5 Ų | 74.5 | 11% | 0.108 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.8 | -43.6 | 179.5 | -57.6 | 163.4 | 0 | 0 | 0 | 109 | K152 L155 L196 F199 K485 L486 E487 K491 S492 | K152-I489 HydrophobicContact CD-CG2 4.04Å; K152-I489 WeakPolarHBondContact CE-O 3.37Å; K152-I489 HydrophobicContact CG-CG2 4.17Å; K152-I489 PolarHBondContact NZ-O 2.99Å; L155-I489 HydrophobicContact CD1-CD1 4.44Å; L196-I489 HydrophobicContact CD1-CD1 3.1Å; L196-I489 HydrophobicContact CD1-CG1 4.32Å; L196-I489 HydrophobicContact CG-CD1 4.4Å; F199-I489 HydrophobicContact CD1-CD1 4.44Å; F199-I489 HydrophobicContact CD1-CG2 4.35Å; F199-I489 HydrophobicContact CE1-CG1 4.42Å; F199-I489 HydrophobicContact CE1-CG2 3.6Å; F199-I489 HydrophobicContact CZ-CG2 3.72Å; K485-I489 WeakPolarHBondContact O-CD1 3.46Å; L486-I489 WeakPolarHBondContact O-CB 3.47Å; L486-I489 PolarHBondContact O-N 3.33Å; E487-I489 PolarHBondContact O-N 2.99Å; I489-K491 PolarHBondContact O-N 3.06Å; I489-S492 PolarHBondContact O-OG 2.89Å |
| 490 | F | 88.5 | Confident | 80.9 | Confident | 20 Ų | 20 | 75.2 Ų | 75.2 | 9% | 0.088 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -69.8 | -30.2 | -175.8 | -52.3 | -46.1 | 0 | 0 | 0 | 113.4 | K152 L155 H156 R159 L486 E487 S492 S493 F499 | K152-F490 HydrophobicContact CG-CD1 3.86Å; K152-F490 HydrophobicContact CG-CE1 4Å; K152-F490 WeakPolarHBondContact O-CE1 3.42Å; L155-F490 HydrophobicContact CB-CE1 4.19Å; L155-F490 HydrophobicContact CB-CZ 4.12Å; H156-F490 HydrophobicContact CB-CD1 4.4Å; H156-F490 HydrophobicContact CB-CE1 3.77Å; H156-F490 HydrophobicContact CB-CZ 3.87Å; R159-F490 HydrophobicContact CB-CE2 4.29Å; R159-F490 HydrophobicContact CG-CE2 4.25Å; L486-F490 HydrophobicContact CB-CE2 3.83Å; L486-F490 HydrophobicContact CB-CZ 4.26Å; L486-F490 WeakPolarHBondContact O-CD2 3.26Å; L486-F490 WeakPolarHBondContact O-CE2 3.28Å; L486-F490 PolarHBondContact O-N 3.36Å; E487-F490 PolarHBondContact O-N 2.94Å; E487-F490 VanDerWaalsContact O-N 3.14Å; F490-S492 PolarHBondContact O-N 3.05Å; F490-S492 VanDerWaalsContact O-N 3.16Å; F490-S493 PolarHBondContact O-N 3.08Å; F490-S493 VanDerWaalsContact O-N 3.12Å; F490-F499 HydrophobicContact CB-CZ 4.37Å; F490-F499 HydrophobicContact CD1-CE1 4.02Å; F490-F499 AromaticContact CD1-CZ 3.92Å; F490-F499 HydrophobicContact CD1-CZ 3.92Å; F490-F499 HydrophobicContact CE1-CE1 4.37Å; F490-F499 HydrophobicContact CG-CZ 4.36Å |
| 491 | K | 79.1 | Confident | 79.6 | Confident | 170 Ų | 170 | 76.6 Ų | 76.6 | 74% | 0.739 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.8 | -179.3 | -73.4 | -179.6 | -179.3 | -176.1 | 0 | 115.1 | E487 I489 S493 | E487-K491 PolarHBondContact O-N 3.24Å; I489-K491 PolarHBondContact O-N 3.06Å; K491-S493 VanDerWaalsContact C-N 3.28Å; K491-S493 PolarHBondContact O-N 3.13Å |
| 492 | S | 65.3 | Low | 78.6 | Confident | 96 Ų | 96 | 76.5 Ų | 76.5 | 67% | 0.671 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -1 | 178.8 | 60.2 | 0 | 0 | 0 | 0 | 114.4 | K152 I489 F490 | K152-S492 PolarHBondContact NZ-OG 2.94Å; K152-S492 VanDerWaalsContact NZ-OG 3.09Å; I489-S492 PolarHBondContact O-OG 2.89Å; F490-S492 PolarHBondContact O-N 3.05Å; F490-S492 VanDerWaalsContact O-N 3.16Å |
| 493 | S | 61.7 | Low | 77.3 | Confident | 32 Ų | 32 | 84.6 Ų | 84.6 | 22% | 0.224 | 45% | 0.45 | C | S | . | . | trans | -101.6 | 99.7 | -178.1 | -85.3 | 0 | 0 | 0 | 0 | 112.8 | K152 F490 K491 N495 L498 | K152-S493 WeakPolarHBondContact CE-OG 3.35Å; K152-S493 PolarHBondContact NZ-OG 3.28Å; F490-S493 PolarHBondContact O-N 3.08Å; F490-S493 VanDerWaalsContact O-N 3.12Å; K491-S493 VanDerWaalsContact C-N 3.28Å; K491-S493 PolarHBondContact O-N 3.13Å; S493-N495 PolarHBondContact O-N 3.27Å; S493-L498 VanDerWaalsContact CB-CD2 3.41Å; S493-L498 WeakPolarHBondContact OG-CD2 3.19Å | ||
| 494 | N | 55.5 | Low | 76.3 | Confident | 170 Ų | 170 | 79.7 Ų | 79.7 | 91% | 0.909 | 44% | 0.435 | S | S | * | . | trans | -87.4 | 17.1 | 165.9 | -76 | -11 | 0 | 0 | 0 | 113 | ||||
| 495 | N | 59.5 | Low | 74.5 | Confident | 75 Ų | 75 | 82.6 Ų | 82.6 | 40% | 0.401 | 45% | 0.454 | S | S | . | . | trans | -92.3 | 117.3 | -172.7 | -155.9 | -15.6 | 0 | 0 | 0 | 110.4 | S493 D497 L498 | S493-N495 PolarHBondContact O-N 3.27Å; N495-D497 PolarHBondContact O-N 2.94Å; N495-L498 HydrophobicContact CB-CB 4.33Å; N495-L498 HydrophobicContact CB-CD1 4.34Å; N495-L498 VanDerWaalsContact O-CB 3.23Å; N495-L498 WeakPolarHBondContact O-CB 3.21Å; N495-L498 PolarHBondContact O-N 2.81Å | ||
| 496 | A | 54.4 | Low | 72.4 | Confident | 100 Ų | 100 | 82 Ų | 82 | 83% | 0.826 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -27.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L498 | A496-L498 VanDerWaalsContact C-N 3.33Š|
| 497 | D | 62 | Low | 71.2 | Confident | 133 Ų | 133 | 86 Ų | 86 | 71% | 0.711 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -7.8 | 177.9 | -60 | -27.6 | 0 | 0 | 0 | 113.1 | N495 F499 A500 | N495-D497 PolarHBondContact O-N 2.94Å; D497-F499 PolarHBondContact O-N 2.89Å; D497-A500 PolarHBondContact O-N 3.41Å |
| 498 | L | 67.8 | Low | 70.1 | Confident | 17 Ų | 17 | 87.7 Ų | 87.7 | 9% | 0.089 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 134 | 174.6 | -139.8 | 94.9 | 0 | 0 | 0 | 108.1 | K149 K152 S493 N495 A496 | K149-L498 HydrophobicContact CB-CD1 4.11Å; K149-L498 HydrophobicContact CG-CD1 3.96Å; K152-L498 HydrophobicContact CD-CD2 3.8Å; K152-L498 HydrophobicContact CG-CD2 3.99Å; S493-L498 VanDerWaalsContact CB-CD2 3.41Å; S493-L498 WeakPolarHBondContact OG-CD2 3.19Å; N495-L498 HydrophobicContact CB-CB 4.33Å; N495-L498 HydrophobicContact CB-CD1 4.34Å; N495-L498 VanDerWaalsContact O-CB 3.23Å; N495-L498 WeakPolarHBondContact O-CB 3.21Å; N495-L498 PolarHBondContact O-N 2.81Å; A496-L498 VanDerWaalsContact C-N 3.33Å |
| 499 | F | 75.2 | Confident | 68.8 | Low | 57 Ų | 57 | 88.8 Ų | 88.8 | 25% | 0.25 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 15.5 | -179.7 | -36.9 | -66.6 | 0 | 0 | 0 | 117 | K152 H156 R157 F490 D497 | K152-F499 HydrophobicContact CG-CE1 4.4Å; H156-F499 HydrophobicContact CB-CD1 3.6Å; H156-F499 HydrophobicContact CB-CE1 3.43Å; H156-F499 VanDerWaalsContact CB-CE1 3.43Å; H156-F499 HydrophobicContact CB-CZ 4.46Å; H156-F499 AromaticContact CD2-CD1 3.83Å; H156-F499 AromaticContact CG-CD1 3.55Å; H156-F499 AromaticContact CG-CE1 3.56Å; H156-F499 AromaticContact ND1-CE1 3.77Å; R157-F499 PolarHBondContact NH1-O 3.07Å; R157-F499 PolarHBondContact NH2-O 3.04Å; F490-F499 HydrophobicContact CB-CZ 4.37Å; F490-F499 HydrophobicContact CD1-CE1 4.02Å; F490-F499 AromaticContact CD1-CZ 3.92Å; F490-F499 HydrophobicContact CD1-CZ 3.92Å; F490-F499 HydrophobicContact CE1-CE1 4.37Å; F490-F499 HydrophobicContact CG-CZ 4.36Å; D497-F499 PolarHBondContact O-N 2.89Å |
| 500 | A | 72.4 | Confident | 67.6 | Low | 64 Ų | 64 | 92.8 Ų | 92.8 | 53% | 0.529 | 52% | 0.52 | S | S | . | . | trans | -60.6 | 147 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R157 Q377 D497 | R157-A500 PolarHBondContact NH2-O 3.01Å; Q377-A500 PolarHBondContact NE2-O 3.31Å; D497-A500 PolarHBondContact O-N 3.41Å | ||
| 501 | N | 72.6 | Confident | 66.3 | Low | 129 Ų | 129 | 97.3 Ų | 97.3 | 69% | 0.69 | 55% | 0.547 | S | S | * | . | trans | -66.9 | 156.6 | 174.3 | -71.2 | -17.4 | 0 | 0 | 0 | 111.1 | R157 E381 | R157-N501 PolarHBondContact NH2-OD1 2.99Å; E381-N501 WeakPolarHBondContact OE1-CA 2.85Å; E381-N501 PolarHBondContact OE1-OD1 2.7Å | ||
| 502 | T | 77.1 | Confident | 65.4 | Low | 23 Ų | 23 | 92.5 Ų | 92.5 | 14% | 0.141 | 53% | 0.534 | C | S | . | . | trans | -117.5 | 132.4 | 177.1 | -161.2 | 0 | 0 | 0 | 0 | 111.9 | I374 Q377 N378 E381 | I374-T502 WeakPolarHBondContact O-CG2 3.49Å; Q377-T502 HydrophobicContact CB-CG2 3.85Å; Q377-T502 HydrophobicContact CG-CG2 3.69Å; N378-T502 HydrophobicContact CB-CG2 3.85Å; N378-T502 PolarHBondContact ND2-O 3.43Å; E381-T502 PolarHBondContact OE2-N 3.41Å | ||
| 503 | E | 71.1 | Confident | 65.4 | Low | 179 Ų | 179 | 92.2 Ų | 92.2 | 84% | 0.836 | 52% | 0.524 | S | S | * | . | trans | -94.4 | 153.5 | 166.8 | -65.2 | -175.1 | 173.2 | 0 | 0 | 109.7 | ||||
| 504 | L | 75.2 | Confident | 65.7 | Low | 42 Ų | 42 | 96.8 Ų | 96.8 | 22% | 0.22 | 55% | 0.548 | C | S | . | . | trans | -98.6 | 113.6 | 173.4 | -63 | 179.8 | 0 | 0 | 0 | 108.3 | R321 I374 N378 V506 | R321-L504 HydrophobicContact CG-CD1 4.38Å; I374-L504 HydrophobicContact CG2-CD2 3.67Å; N378-L504 HydrophobicContact CB-CD1 4.12Å; N378-L504 HydrophobicContact CB-CD2 3.95Å; N378-L504 HydrophobicContact CB-CG 3.92Å; N378-L504 WeakPolarHBondContact OD1-CD1 3.22Å; L504-V506 HydrophobicContact CB-CG2 4.31Å; L504-V506 PolarHBondContact O-N 2.68Å | ||
| 505 | D | 59 | Low | 66.6 | Low | 169 Ų | 169 | 90.8 Ų | 90.8 | 90% | 0.904 | 52% | 0.517 | S | S | * | . | trans | -83.1 | 41.7 | 179.1 | -162.4 | 11.9 | 0 | 0 | 0 | 112 | ||||
| 506 | V | 52.3 | Low | 67.2 | Low | 101 Ų | 101 | 92.2 Ų | 92.2 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | trans | -112.3 | 0 | -170.4 | -166.2 | 0 | 0 | 0 | 0 | 113.2 | R18 L504 | R18-V506 HydrophobicContact CG-CG1 3.61Å; R18-V506 VanDerWaalsContact O-CG2 3.28Å; R18-V506 WeakPolarHBondContact O-CG2 3.46Å; L504-V506 HydrophobicContact CB-CG2 4.31Å; L504-V506 PolarHBondContact O-N 2.68Å |
Retrieved 506 of 506 residues in 352.8 ms
(Link to these results)