| 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 | 33.7 | Very low | 35.1 | Very low | 245 Ų | 245 | 187 Ų | 187 | 100% | 1.207 | 86% | 0.864 | S | S | * | * | 0 | 159.9 | 0 | -78.4 | -162.4 | -177.1 | 0 | 0 | 109.3 | |||||
| 2 | S | 31.7 | Very low | 35.6 | Very low | 108 Ų | 108 | 181.7 Ų | 181.7 | 76% | 0.755 | 85% | 0.846 | S | S | * | * | trans | 60.2 | 94.4 | 172.6 | -155 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 3 | F | 30.9 | Very low | 35.6 | Very low | 202 Ų | 202 | 171.8 Ų | 171.8 | 89% | 0.886 | 82% | 0.823 | S | S | * | * | trans | -70.7 | 142.7 | 153.1 | -71.8 | -106.2 | 0 | 0 | 0 | 109.2 | ||||
| 4 | F | 34.7 | Very low | 35.7 | Very low | 180 Ų | 180 | 168.7 Ų | 168.7 | 79% | 0.789 | 82% | 0.824 | S | S | * | * | trans | -155.9 | 137.6 | 150 | -106.7 | -70.8 | 0 | 0 | 0 | 111.8 | ||||
| 5 | N | 31.5 | Very low | 36 | Very low | 128 Ų | 128 | 166.2 Ų | 166.2 | 68% | 0.684 | 82% | 0.816 | S | S | * | * | trans | 54.8 | 85.8 | 159.6 | -63.3 | -21.4 | 0 | 0 | 0 | 120 | ||||
| 6 | F | 30.3 | Very low | 36.5 | Very low | 202 Ų | 202 | 167.3 Ų | 167.3 | 89% | 0.886 | 82% | 0.815 | S | S | * | * | trans | -130.6 | 68.8 | 136.8 | -107.7 | -81 | 0 | 0 | 0 | 110.5 | ||||
| 7 | R | 39.1 | Very low | 36.9 | Very low | 244 Ų | 244 | 169.3 Ų | 169.3 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -122.1 | 53.6 | 175.4 | -152.2 | 178.6 | -165.7 | -174.7 | 4.5 | 111.6 | ||||
| 8 | K | 42.9 | Very low | 38 | Very low | 192 Ų | 192 | 167.1 Ų | 167.1 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -164.7 | 87.3 | 171.7 | -103.6 | 173.2 | -177 | 177.4 | 0 | 109.1 | ||||
| 9 | I | 41.5 | Very low | 39.3 | Very low | 146 Ų | 146 | 164.1 Ų | 164.1 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | -175.4 | 70.6 | 150.6 | -86.9 | 144.5 | 0 | 0 | 0 | 105.4 | ||||
| 10 | F | 35.5 | Very low | 40.7 | Very low | 201 Ų | 201 | 165.2 Ų | 165.2 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | -157.1 | 75.3 | 157.2 | -92.2 | -65.9 | 0 | 0 | 0 | 104.8 | L12 | F10-L12 PolarHBondContact O-N 3.32Š| ||
| 11 | K | 34.4 | Very low | 42.5 | Very low | 209 Ų | 209 | 158.9 Ų | 158.9 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | trans | -71.8 | 105.8 | 157 | -78.4 | -173.6 | 175.2 | -176 | 0 | 105.1 | ||||
| 12 | L | 41.4 | Very low | 44.9 | Very low | 123 Ų | 123 | 155.4 Ų | 155.4 | 64% | 0.644 | 74% | 0.74 | S | S | * | * | trans | -52.5 | 154.1 | 146.8 | -91.6 | 62.6 | 0 | 0 | 0 | 107.5 | F10 | F10-L12 PolarHBondContact O-N 3.32Š| ||
| 13 | G | 34.7 | Very low | 47.5 | Very low | 54 Ų | 54 | 153.7 Ų | 153.7 | 56% | 0.557 | 72% | 0.72 | S | S | * | * | trans | -56.3 | 164.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | D15 | G13-D15 PolarHBondContact O-N 3.21Š| ||
| 14 | P | 37.2 | Very low | 50.4 | Low | 128 Ų | 128 | 144.5 Ų | 144.5 | 83% | 0.831 | 68% | 0.681 | S | S | * | * | trans | -59.4 | 111.7 | 168.5 | 27 | -32.4 | 0 | 0 | 0 | 107.9 | K16 | P14-K16 PolarHBondContact O-N 3.32Š| ||
| 15 | D | 40 | Very low | 53.1 | Low | 131 Ų | 131 | 140.5 Ų | 140.5 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | trans | -54.7 | 108.8 | 168.2 | -68.8 | -55.4 | 0 | 0 | 0 | 106.8 | G13 K17 | G13-D15 PolarHBondContact O-N 3.21Å; D15-K17 PolarHBondContact O-N 3.44Å | ||
| 16 | K | 43.5 | Very low | 55.8 | Low | 184 Ų | 184 | 136.6 Ų | 136.6 | 80% | 0.8 | 64% | 0.64 | S | S | * | * | trans | -56.2 | 111.1 | 170.2 | -75.5 | -175.8 | 177.7 | -178.3 | 0 | 105.3 | P14 K18 | P14-K16 PolarHBondContact O-N 3.32Å; K16-K18 PolarHBondContact O-N 3.17Å | ||
| 17 | K | 44 | Very low | 58.4 | Low | 201 Ų | 201 | 132.7 Ų | 132.7 | 87% | 0.874 | 63% | 0.628 | S | S | * | * | trans | -52.5 | 114.3 | 171.8 | -71.2 | -175.5 | 175.8 | -175.3 | 0 | 106.8 | D15 K19 | D15-K17 PolarHBondContact O-N 3.44Å; K17-K19 PolarHBondContact O-N 2.6Å | ||
| 18 | K | 56.5 | Low | 60.9 | Low | 130 Ų | 130 | 124 Ų | 124 | 57% | 0.565 | 60% | 0.602 | S | S | * | * | trans | -50.1 | 130.8 | 177.6 | -70.2 | -169.9 | 176.1 | -170.8 | 0 | 108.1 | K16 Q20 | K16-K18 PolarHBondContact O-N 3.17Å; K18-Q20 PolarHBondContact O-N 3.27Å | ||
| 19 | K | 63.2 | Low | 63.2 | Low | 109 Ų | 109 | 116.9 Ų | 116.9 | 47% | 0.474 | 57% | 0.573 | S | S | . | * | trans | -61.1 | 113 | 179.4 | -79.9 | 179.7 | 171.7 | 172.8 | 0 | 108.3 | K17 Y21 R26 E74 | K17-K19 PolarHBondContact O-N 2.6Å; K19-Y21 HydrophobicContact CB-CE1 3.93Å; K19-Y21 HydrophobicContact CB-CE2 4.41Å; K19-Y21 HydrophobicContact CD-CE1 4.43Å; K19-Y21 PolarHBondContact O-N 2.98Å; K19-R26 PolarHBondContact O-NH2 2.69Å; K19-E74 IonicContact NZ-OE1 3.87Å; K19-E74 PolarHBondContact NZ-OE1 2.87Å; K19-E74 IonicContact NZ-OE2 2.98Å; K19-E74 PolarHBondContact NZ-OE2 3.36Å | ||
| 20 | Q | 66.3 | Low | 65.7 | Low | 186 Ų | 186 | 109.9 Ų | 109.9 | 87% | 0.869 | 54% | 0.537 | S | S | * | . | trans | -74.8 | 112.8 | 175.7 | -174.2 | 171 | -4.7 | 0 | 0 | 108.1 | K18 | K18-Q20 PolarHBondContact O-N 3.27Š| ||
| 21 | Y | 79.8 | Confident | 68.5 | Low | 34 Ų | 34 | 105.4 Ų | 105.4 | 13% | 0.133 | 52% | 0.519 | C | S | . | . | trans | -90 | 127.5 | 172.6 | -58.6 | -55.7 | 0 | 0 | 0 | 107.9 | K19 L73 E74 M77 | K19-Y21 HydrophobicContact CB-CE1 3.93Å; K19-Y21 HydrophobicContact CB-CE2 4.41Å; K19-Y21 HydrophobicContact CD-CE1 4.43Å; K19-Y21 PolarHBondContact O-N 2.98Å; Y21-L73 HydrophobicContact CD2-CD2 3.94Å; Y21-L73 HydrophobicContact CD2-CG 4.4Å; Y21-L73 HydrophobicContact CE2-CD2 3.58Å; Y21-L73 HydrophobicContact CE2-CG 3.92Å; Y21-E74 VanDerWaalsContact OH-CG 3.32Å; Y21-E74 WeakPolarHBondContact OH-CG 3.01Å; Y21-M77 HydrophobicContact CD1-CG 3.78Å; Y21-M77 HydrophobicContact CD1-SD 3.67Å; Y21-M77 HydrophobicContact CD2-SD 3.89Å; Y21-M77 HydrophobicContact CE1-CG 3.77Å; Y21-M77 HydrophobicContact CE1-SD 4.17Å; Y21-M77 HydrophobicContact CE2-SD 4.36Å; Y21-M77 HydrophobicContact CG-CG 4.25Å; Y21-M77 HydrophobicContact CG-SD 3.54Å; Y21-M77 VanDerWaalsContact CG-SD 3.54Å | ||
| 22 | E | 82.6 | Confident | 71.3 | Confident | 172 Ų | 172 | 102.1 Ų | 102.1 | 80% | 0.804 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -38.6 | -171 | -173.3 | 165.3 | -165.9 | 0 | 0 | 112.1 | ||
| 23 | H | 88.1 | Confident | 73.9 | Confident | 72 Ų | 72 | 98.1 Ų | 98.1 | 33% | 0.333 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 14.9 | -174.5 | -53.5 | 113.6 | 0 | 0 | 0 | 114.4 | I80 D81 A84 | H23-I80 HydrophobicContact CB-CG2 3.69Å; H23-D81 IonicContact CE1-OD1 2.79Å; H23-D81 IonicContact CG-OD1 2.79Å; H23-D81 IonicContact ND1-OD1 3.15Å; H23-D81 PolarHBondContact ND1-OD1 2.94Å; H23-A84 HydrophobicContact CB-CB 4.42Å |
| 24 | V | 91.4 | Very high | 76.8 | Confident | 9 Ų | 9 | 95.8 Ų | 95.8 | 6% | 0.055 | 46% | 0.46 | C | S | . | . | trans | -133.1 | 116.3 | -175.6 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | R26 M77 I80 A97 L104 | V24-R26 PolarHBondContact O-N 3.33Å; V24-M77 HydrophobicContact CG2-CE 3.94Å; V24-M77 HydrophobicContact CG2-SD 3.82Å; V24-I80 HydrophobicContact CG2-CD1 3.75Å; V24-I80 HydrophobicContact CG2-CG2 4.36Å; V24-A97 HydrophobicContact CG2-CB 4.3Å; V24-L104 HydrophobicContact CG1-CD1 4.33Å | ||
| 25 | H | 90.8 | Very high | 79.6 | Confident | 95 Ų | 95 | 94.6 Ų | 94.6 | 44% | 0.44 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 116.9 | 175.5 | -62.6 | -63.5 | 0 | 0 | 0 | 110.8 | A97 F98 Y99 | H25-A97 PolarHBondContact CD2-O 3.2Å; H25-A97 PolarHBondContact N-O 2.65Å; H25-F98 HydrophobicContact CB-CD1 3.54Å; H25-F98 HydrophobicContact CB-CE1 3.85Å; H25-F98 HydrophobicContact CB-CG 4.32Å; H25-F98 AromaticContact CD2-CE1 3.95Å; H25-F98 CarbonylContact O-C 3.53Å; H25-F98 VanDerWaalsContact O-CA 3.27Å; H25-F98 WeakPolarHBondContact O-CA 3.27Å; H25-Y99 PolarHBondContact O-N 2.78Å |
| 26 | R | 88.7 | Confident | 82.3 | Confident | 47 Ų | 47 | 91.4 Ų | 91.4 | 18% | 0.177 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 150 | 178.1 | -70.9 | 171.4 | 167.5 | -105.2 | 11 | 111.4 | K19 V24 V28 E70 | K19-R26 PolarHBondContact O-NH2 2.69Å; V24-R26 PolarHBondContact O-N 3.33Å; R26-V28 PolarHBondContact O-N 2.88Å; R26-E70 IonicContact CZ-OE1 2.79Å; R26-E70 VanDerWaalsContact NH1-CD 3.32Å; R26-E70 IonicContact NH1-OE1 3.33Å; R26-E70 PolarHBondContact NH1-OE1 3.24Å; R26-E70 IonicContact NH1-OE2 2.61Å; R26-E70 IonicContact NH2-OE1 2.68Å; R26-E70 PolarHBondContact NH2-OE1 3.28Å |
| 27 | D | 83.9 | Confident | 84.7 | Confident | 120 Ų | 120 | 86 Ų | 86 | 64% | 0.642 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 59.8 | 17.8 | 169.9 | -51 | -46.4 | 0 | 0 | 0 | 114.2 | Y99 | D27-Y99 PolarHBondContact N-O 3.2Š|
| 28 | V | 91.8 | Very high | 86.8 | Confident | 62 Ų | 62 | 77.9 Ų | 77.9 | 38% | 0.376 | 38% | 0.378 | S | S | . | . | trans | -110.9 | 129.1 | 172.4 | 173.8 | 0 | 0 | 0 | 0 | 108.3 | R26 P30 I33 F98 F100 | R26-V28 PolarHBondContact O-N 2.88Å; V28-P30 VanDerWaalsContact O-CD 3.3Å; V28-P30 WeakPolarHBondContact O-CD 3.44Å; V28-I33 HydrophobicContact CG1-CD1 4.22Å; V28-F98 HydrophobicContact CB-CD1 4.38Å; V28-F98 HydrophobicContact CG1-CD1 4.26Å; V28-F98 HydrophobicContact CG1-CE1 4.12Å; V28-F100 WeakPolarHBondContact O-CD2 3.48Å | ||
| 29 | N | 92.3 | Very high | 88.4 | Confident | 41 Ų | 41 | 76.6 Ų | 76.6 | 22% | 0.219 | 37% | 0.374 | C | S | . | . | trans | -73.1 | 115.1 | 178.3 | -177.4 | 1 | 0 | 0 | 0 | 110.6 | E31 E32 F100 | N29-E31 PolarHBondContact O-N 3.27Å; N29-E31 WeakPolarHBondContact OD1-CB 3.34Å; N29-E31 PolarHBondContact OD1-N 3.02Å; N29-E32 HydrophobicContact CB-CG 4.11Å; N29-E32 PolarHBondContact O-N 3.25Å; N29-F100 HydrophobicContact CB-CD1 4.26Å; N29-F100 HydrophobicContact CB-CD2 4.37Å; N29-F100 HydrophobicContact CB-CE1 3.86Å; N29-F100 HydrophobicContact CB-CE2 3.99Å; N29-F100 HydrophobicContact CB-CZ 3.73Å | ||
| 30 | P | 94.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -61.8 | -28.2 | 178.5 | 24.5 | -33.3 | 0 | 0 | 0 | 112.8 | V28 E32 I33 W34 F98 W105 | V28-P30 VanDerWaalsContact O-CD 3.3Å; V28-P30 WeakPolarHBondContact O-CD 3.44Å; P30-E32 PolarHBondContact O-N 3Å; P30-I33 PolarHBondContact O-N 3.45Å; P30-W34 PolarHBondContact O-N 3.43Å; P30-F98 HydrophobicContact CB-CB 4.06Å; P30-F98 HydrophobicContact CB-CD1 4.42Å; P30-F98 HydrophobicContact CB-CD2 3.82Å; P30-F98 HydrophobicContact CB-CE2 4.37Å; P30-F98 HydrophobicContact CB-CG 3.85Å; P30-F98 HydrophobicContact CG-CB 4.31Å; P30-W105 HydrophobicContact CB-CD2 3.81Å; P30-W105 HydrophobicContact CB-CE3 3.8Å; P30-W105 HydrophobicContact CB-CG 4.19Å; P30-W105 HydrophobicContact CB-CZ3 4.18Å; P30-W105 HydrophobicContact CG-CD2 3.48Å; P30-W105 VanDerWaalsContact CG-CD2 3.48Å; P30-W105 VanDerWaalsContact CG-CE2 3.4Å; P30-W105 HydrophobicContact CG-CE3 3.94Å; P30-W105 HydrophobicContact CG-CG 3.8Å; P30-W105 HydrophobicContact CG-CH2 4.25Å; P30-W105 HydrophobicContact CG-CZ2 3.83Å; P30-W105 HydrophobicContact CG-CZ3 4.29Å |
| 31 | E | 93.3 | Very high | 89.9 | Confident | 106 Ų | 106 | 68 Ų | 68 | 50% | 0.495 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -68.5 | -15.6 | -179.3 | -60.3 | -170.5 | 165.2 | 0 | 0 | 113.4 | N29 I33 W34 K54 W105 | N29-E31 PolarHBondContact O-N 3.27Å; N29-E31 WeakPolarHBondContact OD1-CB 3.34Å; N29-E31 PolarHBondContact OD1-N 3.02Å; E31-I33 VanDerWaalsContact C-N 3.31Å; E31-W34 WeakPolarHBondContact CA-O 3.4Å; E31-K54 PolarHBondContact O-NZ 2.84Å; E31-W105 HydrophobicContact CG-CH2 3.79Å; E31-W105 HydrophobicContact CG-CZ2 4.08Å |
| 32 | E | 93.8 | Very high | 89.5 | Confident | 140 Ų | 140 | 71.3 Ų | 71.3 | 65% | 0.654 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -73.7 | -25.8 | 171.9 | -67.8 | -178.6 | -167 | 0 | 0 | 112.2 | N29 P30 | N29-E32 HydrophobicContact CB-CG 4.11Å; N29-E32 PolarHBondContact O-N 3.25Å; P30-E32 PolarHBondContact O-N 3Å |
| 33 | I | 95.5 | Very high | 88.6 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 20% | 0.2 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -39.5 | -175.4 | -57.8 | 169.4 | 0 | 0 | 0 | 111 | V28 P30 E31 K54 F98 | V28-I33 HydrophobicContact CG1-CD1 4.22Å; P30-I33 PolarHBondContact O-N 3.45Å; E31-I33 VanDerWaalsContact C-N 3.31Å; I33-K54 PolarHBondContact O-N 3.32Å; I33-F98 HydrophobicContact CD1-CE1 3.72Å; I33-F98 HydrophobicContact CD1-CZ 3.72Å |
| 34 | W | 96.6 | Very high | 87.4 | Confident | 6 Ų | 6 | 66 Ų | 66 | 2% | 0.023 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.5 | -172.9 | -69.3 | 95.7 | 0 | 0 | 0 | 111.1 | P30 E31 A51 N53 T58 A60 L95 D96 F98 L107 | P30-W34 PolarHBondContact O-N 3.43Å; E31-W34 WeakPolarHBondContact CA-O 3.4Å; W34-A51 HydrophobicContact CB-CB 4.48Å; W34-A51 HydrophobicContact CE3-CB 3.92Å; W34-N53 HydrophobicContact CD2-CB 4.2Å; W34-N53 HydrophobicContact CE3-CB 3.87Å; W34-N53 VanDerWaalsContact CE3-N 3.29Å; W34-N53 HydrophobicContact CH2-CB 3.77Å; W34-N53 HydrophobicContact CZ2-CB 4.09Å; W34-N53 HydrophobicContact CZ3-CB 3.65Å; W34-T58 WeakPolarHBondContact CZ3-O 3.19Å; W34-A60 HydrophobicContact CE3-CB 4.01Å; W34-A60 HydrophobicContact CH2-CB 3.71Å; W34-A60 HydrophobicContact CZ3-CB 3.36Å; W34-L95 HydrophobicContact CH2-CD1 4.06Å; W34-L95 HydrophobicContact CZ2-CB 4.47Å; W34-D96 WeakPolarHBondContact CZ2-OD2 3.37Å; W34-D96 PolarHBondContact NE1-OD2 3.48Å; W34-F98 AromaticContact CD1-CE2 3.84Å; W34-F98 AromaticContact NE1-CE2 3.88Å; W34-L107 HydrophobicContact CD2-CD1 4.34Å; W34-L107 HydrophobicContact CD2-CG 4.26Å; W34-L107 HydrophobicContact CG-CD1 4.42Å; W34-L107 HydrophobicContact CG-CG 4.42Å; W34-L107 HydrophobicContact CZ2-CG 4.47Å |
| 35 | E | 95.7 | Very high | 86.3 | Confident | 103 Ų | 103 | 69.5 Ų | 69.5 | 48% | 0.481 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 125.9 | 173.6 | -162.9 | 166.2 | 150.7 | 0 | 0 | 110.4 | I37 A51 Q52 K54 | E35-I37 HydrophobicContact CB-CG2 4.32Å; E35-I37 HydrophobicContact CG-CG2 4.14Å; E35-I37 PolarHBondContact O-N 3.02Å; E35-A51 CarbonylContact O-C 3.55Å; E35-A51 WeakPolarHBondContact O-CA 3.47Å; E35-Q52 PolarHBondContact N-O 3.19Å; E35-Q52 PolarHBondContact O-N 2.8Å; E35-K54 HydrophobicContact CB-CD 4.45Å; E35-K54 VanDerWaalsContact CB-CE 3.48Å; E35-K54 HydrophobicContact CB-CG 4.08Å |
| 36 | I | 95.3 | Very high | 85.6 | Confident | 64 Ų | 64 | 66 Ų | 66 | 33% | 0.328 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 116.1 | 170.8 | -61.5 | -52 | 0 | 0 | 0 | 109.2 | Y49 A51 A62 W105 | I36-Y49 HydrophobicContact CD1-CG 4.35Å; I36-Y49 HydrophobicContact CG2-CD1 3.81Å; I36-Y49 HydrophobicContact CG2-CG 4.04Å; I36-A51 HydrophobicContact CD1-CB 3.92Å; I36-A62 HydrophobicContact CD1-CB 4.28Å; I36-W105 HydrophobicContact CD1-CH2 4.06Å; I36-W105 HydrophobicContact CD1-CZ3 3.7Å; I36-W105 HydrophobicContact CG1-CH2 4.01Å; I36-W105 HydrophobicContact CG1-CZ3 4.15Å |
| 37 | I | 93.9 | Very high | 85.4 | Confident | 69 Ų | 69 | 67 Ų | 67 | 35% | 0.354 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 6 | -175.5 | 61 | 163 | 0 | 0 | 0 | 113.4 | E35 K50 Q52 L59 | E35-I37 HydrophobicContact CB-CG2 4.32Å; E35-I37 HydrophobicContact CG-CG2 4.14Å; E35-I37 PolarHBondContact O-N 3.02Å; I37-K50 HydrophobicContact CD1-CD 3.83Å; I37-K50 HydrophobicContact CD1-CG 4.03Å; I37-K50 HydrophobicContact CG1-CB 4.17Å; I37-K50 HydrophobicContact CG1-CD 4.07Å; I37-K50 HydrophobicContact CG1-CG 3.93Å; I37-K50 VanDerWaalsContact CG1-O 3.3Å; I37-K50 WeakPolarHBondContact CG1-O 3.49Å; I37-K50 PolarHBondContact N-O 2.82Å; I37-Q52 HydrophobicContact CD1-CB 4.14Å; I37-Q52 HydrophobicContact CG2-CB 4.34Å; I37-L59 HydrophobicContact CD1-CD2 3.86Å |
| 38 | G | 89.2 | Confident | 85.7 | Confident | 31 Ų | 31 | 63 Ų | 63 | 32% | 0.32 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.9 | 164.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y49 K50 | G38-Y49 CarbonylContact O-C 3.58Å; G38-Y49 WeakPolarHBondContact O-CA 3.46Å; G38-Y49 WeakPolarHBondContact O-CB 3.28Å; G38-K50 PolarHBondContact N-O 2.85Å; G38-K50 PolarHBondContact O-N 2.92Å |
| 39 | E | 90.1 | Very high | 85.8 | Confident | 104 Ų | 104 | 62.8 Ų | 62.8 | 49% | 0.486 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 137.4 | 169.5 | -167.5 | 166 | 99.8 | 0 | 0 | 109.2 | K47 Y49 | E39-K47 IonicContact OE1-NZ 2.65Å; E39-K47 PolarHBondContact OE1-NZ 3.04Å; E39-K47 IonicContact OE2-NZ 2.96Å; E39-K47 PolarHBondContact OE2-NZ 3.03Å; E39-Y49 HydrophobicContact CB-CD1 4.11Å; E39-Y49 HydrophobicContact CB-CE1 4.24Å; E39-Y49 HydrophobicContact CG-CD1 4.2Å; E39-Y49 HydrophobicContact CG-CE1 4.09Å |
| 40 | L | 83 | Confident | 85.9 | Confident | 85 Ų | 85 | 63.5 Ų | 63.5 | 45% | 0.445 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -32.4 | 177.5 | -66.1 | 173.8 | 0 | 0 | 0 | 111.9 | V48 K50 A61 F110 | L40-V48 WeakPolarHBondContact CA-O 3.47Å; L40-V48 HydrophobicContact CB-CG1 4.3Å; L40-V48 WeakPolarHBondContact CB-O 3.42Å; L40-V48 HydrophobicContact CD1-CG1 4.32Å; L40-V48 PolarHBondContact N-O 3.44Å; L40-K50 HydrophobicContact CD1-CB 4.01Å; L40-K50 HydrophobicContact CD2-CB 4Å; L40-K50 HydrophobicContact CG-CB 3.89Å; L40-A61 HydrophobicContact CD1-CB 4Å; L40-F110 HydrophobicContact CD1-CD2 4.08Å; L40-F110 HydrophobicContact CD1-CE2 3.86Å; L40-F110 HydrophobicContact CD2-CE2 3.96Å |
| 41 | G | 77.1 | Confident | 86 | Confident | 28 Ų | 28 | 63.5 Ų | 63.5 | 29% | 0.289 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.2 | 175.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V48 | G41-V48 PolarHBondContact N-O 3.35Å; G41-V48 PolarHBondContact O-N 3.17Å |
| 42 | D | 72.8 | Confident | 86.1 | Confident | 105 Ų | 105 | 62 Ų | 62 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 117.1 | 173.4 | -62.9 | -47.1 | 0 | 0 | 0 | 109.4 | K47 | D42-K47 WeakPolarHBondContact OD1-CE 3.16Å; D42-K47 WeakPolarHBondContact OD1-CG 3.35Å; D42-K47 IonicContact OD1-NZ 3.16Å; D42-K47 PolarHBondContact OD1-NZ 3.2Å; D42-K47 IonicContact OD2-NZ 2.81Å |
| 43 | G | 63.8 | Low | 86.3 | Confident | 37 Ų | 37 | 55.9 Ų | 55.9 | 38% | 0.381 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 167.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | F45 G46 | G43-F45 PolarHBondContact O-N 3.17Å; G43-G46 WeakPolarHBondContact CA-O 3.47Å; G43-G46 PolarHBondContact N-O 3.09Å; G43-G46 PolarHBondContact O-N 2.88Å |
| 44 | A | 62.6 | Low | 86.2 | Confident | 96 Ų | 96 | 59.3 Ų | 59.3 | 79% | 0.793 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -20.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 45 | F | 67.7 | Low | 86.1 | Confident | 82 Ų | 82 | 66.9 Ų | 66.9 | 36% | 0.36 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -4.3 | -176.2 | -55.8 | -78.1 | 0 | 0 | 0 | 114 | G43 I65 Y76 V176 | G43-F45 PolarHBondContact O-N 3.17Å; F45-I65 HydrophobicContact CB-CD1 4.24Å; F45-Y76 HydrophobicContact CB-CE1 4.07Å; F45-Y76 HydrophobicContact CD1-CE1 4.19Å; F45-Y76 HydrophobicContact CG-CE1 4.23Å; F45-V176 HydrophobicContact CZ-CG1 4.47Å |
| 46 | G | 75.5 | Confident | 86 | Confident | 21 Ų | 21 | 67.1 Ų | 67.1 | 22% | 0.216 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.9 | 175.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G43 V64 | G43-G46 WeakPolarHBondContact CA-O 3.47Å; G43-G46 PolarHBondContact N-O 3.09Å; G43-G46 PolarHBondContact O-N 2.88Å; G46-V64 CarbonylContact C-O 3.56Å; G46-V64 WeakPolarHBondContact CA-O 3.36Å |
| 47 | K | 84.9 | Confident | 85.9 | Confident | 67 Ų | 67 | 65.6 Ų | 65.6 | 29% | 0.291 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 140.5 | -178.6 | -75.4 | -168 | 157.2 | -77.9 | 0 | 111.3 | E39 D42 Y49 V64 | E39-K47 IonicContact OE1-NZ 2.65Å; E39-K47 PolarHBondContact OE1-NZ 3.04Å; E39-K47 IonicContact OE2-NZ 2.96Å; E39-K47 PolarHBondContact OE2-NZ 3.03Å; D42-K47 WeakPolarHBondContact OD1-CE 3.16Å; D42-K47 WeakPolarHBondContact OD1-CG 3.35Å; D42-K47 IonicContact OD1-NZ 3.16Å; D42-K47 PolarHBondContact OD1-NZ 3.2Å; D42-K47 IonicContact OD2-NZ 2.81Å; K47-Y49 HydrophobicContact CB-CD2 4.27Å; K47-Y49 HydrophobicContact CB-CE2 3.55Å; K47-Y49 HydrophobicContact CD-CE2 4.45Å; K47-Y49 WeakPolarHBondContact CD-OH 3.48Å; K47-V64 PolarHBondContact N-O 3.43Å; K47-V64 PolarHBondContact O-N 2.98Å |
| 48 | V | 90.3 | Very high | 86 | Confident | 37 Ų | 37 | 65.3 Ų | 65.3 | 22% | 0.224 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 117.7 | 174.6 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | L40 G41 A61 A62 K63 | L40-V48 WeakPolarHBondContact CA-O 3.47Å; L40-V48 HydrophobicContact CB-CG1 4.3Å; L40-V48 WeakPolarHBondContact CB-O 3.42Å; L40-V48 HydrophobicContact CD1-CG1 4.32Å; L40-V48 PolarHBondContact N-O 3.44Å; G41-V48 PolarHBondContact N-O 3.35Å; G41-V48 PolarHBondContact O-N 3.17Å; V48-A61 HydrophobicContact CG1-CB 4.09Å; V48-A62 WeakPolarHBondContact CA-O 3.46Å; V48-K63 HydrophobicContact CG2-CG 4.47Å |
| 49 | Y | 93.4 | Very high | 86.3 | Confident | 58 Ų | 58 | 66.6 Ų | 66.6 | 23% | 0.227 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 157.1 | 179.2 | -62.7 | -79.9 | 0 | 0 | 0 | 111.7 | I36 G38 E39 K47 A61 A62 V64 | I36-Y49 HydrophobicContact CD1-CG 4.35Å; I36-Y49 HydrophobicContact CG2-CD1 3.81Å; I36-Y49 HydrophobicContact CG2-CG 4.04Å; G38-Y49 CarbonylContact O-C 3.58Å; G38-Y49 WeakPolarHBondContact O-CA 3.46Å; G38-Y49 WeakPolarHBondContact O-CB 3.28Å; E39-Y49 HydrophobicContact CB-CD1 4.11Å; E39-Y49 HydrophobicContact CB-CE1 4.24Å; E39-Y49 HydrophobicContact CG-CD1 4.2Å; E39-Y49 HydrophobicContact CG-CE1 4.09Å; K47-Y49 HydrophobicContact CB-CD2 4.27Å; K47-Y49 HydrophobicContact CB-CE2 3.55Å; K47-Y49 HydrophobicContact CD-CE2 4.45Å; K47-Y49 WeakPolarHBondContact CD-OH 3.48Å; Y49-A61 CarbonylContact O-C 3.59Å; Y49-A61 VanDerWaalsContact O-CA 3.32Å; Y49-A61 WeakPolarHBondContact O-CA 3.39Å; Y49-A62 PolarHBondContact N-O 3.41Å; Y49-A62 PolarHBondContact O-N 3.06Å; Y49-V64 HydrophobicContact CD2-CB 4.25Å; Y49-V64 HydrophobicContact CD2-CG2 3.85Å; Y49-V64 HydrophobicContact CE2-CB 4.14Å; Y49-V64 HydrophobicContact CE2-CG2 4.17Å |
| 50 | K | 94.8 | Very high | 86.6 | Confident | 56 Ų | 56 | 61.6 Ų | 61.6 | 24% | 0.243 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 120.9 | 163.6 | -167.9 | -175.7 | 179 | -167.9 | 0 | 107.9 | I37 G38 L40 F110 | I37-K50 HydrophobicContact CD1-CD 3.83Å; I37-K50 HydrophobicContact CD1-CG 4.03Å; I37-K50 HydrophobicContact CG1-CB 4.17Å; I37-K50 HydrophobicContact CG1-CD 4.07Å; I37-K50 HydrophobicContact CG1-CG 3.93Å; I37-K50 VanDerWaalsContact CG1-O 3.3Å; I37-K50 WeakPolarHBondContact CG1-O 3.49Å; I37-K50 PolarHBondContact N-O 2.82Å; G38-K50 PolarHBondContact N-O 2.85Å; G38-K50 PolarHBondContact O-N 2.92Å; L40-K50 HydrophobicContact CD1-CB 4.01Å; L40-K50 HydrophobicContact CD2-CB 4Å; L40-K50 HydrophobicContact CG-CB 3.89Å; K50-F110 HydrophobicContact CD-CE1 4.45Å; K50-F110 HydrophobicContact CD-CE2 4.15Å; K50-F110 HydrophobicContact CD-CZ 4.03Å; K50-F110 HydrophobicContact CG-CD2 4.17Å; K50-F110 HydrophobicContact CG-CE2 4.03Å; K50-F110 HydrophobicContact CG-CZ 4.39Å |
| 51 | A | 96.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 154.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | W34 E35 I36 L59 A60 A62 | W34-A51 HydrophobicContact CB-CB 4.48Å; W34-A51 HydrophobicContact CE3-CB 3.92Å; E35-A51 CarbonylContact O-C 3.55Å; E35-A51 WeakPolarHBondContact O-CA 3.47Å; I36-A51 HydrophobicContact CD1-CB 3.92Å; A51-L59 WeakPolarHBondContact O-CA 3.47Å; A51-A60 HydrophobicContact CB-CB 4.41Å; A51-A60 PolarHBondContact N-O 2.81Å; A51-A60 PolarHBondContact O-N 3.11Å; A51-A62 HydrophobicContact CB-CB 4.04Å |
| 52 | Q | 96.8 | Very high | 88 | Confident | 74 Ų | 74 | 56.8 Ų | 56.8 | 35% | 0.346 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 129.6 | 171.5 | -174.9 | 162.1 | 37.6 | 0 | 0 | 110.8 | E35 I37 K54 G57 T58 L59 | E35-Q52 PolarHBondContact N-O 3.19Å; E35-Q52 PolarHBondContact O-N 2.8Å; I37-Q52 HydrophobicContact CD1-CB 4.14Å; I37-Q52 HydrophobicContact CG2-CB 4.34Å; Q52-K54 PolarHBondContact O-N 3.43Å; Q52-G57 PolarHBondContact NE2-O 3.41Å; Q52-T58 CarbonylContact C-O 3.59Å; Q52-T58 WeakPolarHBondContact CA-O 3.47Å; Q52-L59 HydrophobicContact CB-CD2 3.85Å; Q52-L59 HydrophobicContact CG-CD2 3.94Å |
| 53 | N | 96.5 | Very high | 88.9 | Confident | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.064 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 122.8 | 175.7 | -177.8 | -71.6 | 0 | 0 | 0 | 109.8 | W34 Q55 N56 G57 T58 | W34-N53 HydrophobicContact CD2-CB 4.2Å; W34-N53 HydrophobicContact CE3-CB 3.87Å; W34-N53 VanDerWaalsContact CE3-N 3.29Å; W34-N53 HydrophobicContact CH2-CB 3.77Å; W34-N53 HydrophobicContact CZ2-CB 4.09Å; W34-N53 HydrophobicContact CZ3-CB 3.65Å; N53-Q55 PolarHBondContact O-N 3.46Å; N53-Q55 WeakPolarHBondContact OD1-CB 3.45Å; N53-Q55 PolarHBondContact OD1-N 3.4Å; N53-N56 WeakPolarHBondContact CB-OD1 3.46Å; N53-N56 PolarHBondContact OD1-N 2.96Å; N53-N56 VanDerWaalsContact OD1-N 3.12Å; N53-N56 PolarHBondContact OD1-OD1 3.05Å; N53-G57 VanDerWaalsContact O-CA 3.3Å; N53-G57 WeakPolarHBondContact O-CA 3.18Å; N53-G57 PolarHBondContact O-N 2.94Å; N53-T58 PolarHBondContact N-O 3.05Å |
| 54 | K | 94.9 | Very high | 90.3 | Very high | 110 Ų | 110 | 52 Ų | 52 | 48% | 0.478 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -17.6 | -173.4 | -68.4 | 176.4 | 174.1 | 176.2 | 0 | 114.1 | E31 I33 E35 Q52 | E31-K54 PolarHBondContact O-NZ 2.84Å; I33-K54 PolarHBondContact O-N 3.32Å; E35-K54 HydrophobicContact CB-CD 4.45Å; E35-K54 VanDerWaalsContact CB-CE 3.48Å; E35-K54 HydrophobicContact CB-CG 4.08Å; Q52-K54 PolarHBondContact O-N 3.43Å |
| 55 | Q | 93.7 | Very high | 91.6 | Very high | 166 Ų | 166 | 47.5 Ų | 47.5 | 78% | 0.776 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -38.9 | -176.7 | -56 | -177 | 10.3 | 0 | 0 | 112.9 | N53 | N53-Q55 PolarHBondContact O-N 3.46Å; N53-Q55 WeakPolarHBondContact OD1-CB 3.45Å; N53-Q55 PolarHBondContact OD1-N 3.4Å |
| 56 | N | 94.4 | Very high | 92.6 | Very high | 107 Ų | 107 | 49 Ų | 49 | 57% | 0.572 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.7 | -3.4 | -173 | 68.8 | 29.4 | 0 | 0 | 0 | 114.8 | N53 T58 | N53-N56 WeakPolarHBondContact CB-OD1 3.46Å; N53-N56 PolarHBondContact OD1-N 2.96Å; N53-N56 VanDerWaalsContact OD1-N 3.12Å; N53-N56 PolarHBondContact OD1-OD1 3.05Å; N56-T58 VanDerWaalsContact C-N 3.26Å; N56-T58 PolarHBondContact O-N 2.93Å; N56-T58 WeakPolarHBondContact OD1-CB 3.38Å; N56-T58 PolarHBondContact OD1-N 3.28Å; N56-T58 PolarHBondContact OD1-OG1 3.34Å |
| 57 | G | 92.4 | Very high | 93 | Very high | 33 Ų | 33 | 48.8 Ų | 48.8 | 34% | 0.34 | 25% | 0.251 | S | S | . | . | trans | 75 | 3.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q52 N53 | Q52-G57 PolarHBondContact NE2-O 3.41Å; N53-G57 VanDerWaalsContact O-CA 3.3Å; N53-G57 WeakPolarHBondContact O-CA 3.18Å; N53-G57 PolarHBondContact O-N 2.94Å | ||
| 58 | T | 95.3 | Very high | 92.7 | Very high | 62 Ų | 62 | 54.4 Ų | 54.4 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | trans | -60 | 137.4 | 179 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | W34 Q52 N53 N56 L95 | W34-T58 WeakPolarHBondContact CZ3-O 3.19Å; Q52-T58 CarbonylContact C-O 3.59Å; Q52-T58 WeakPolarHBondContact CA-O 3.47Å; N53-T58 PolarHBondContact N-O 3.05Å; N56-T58 VanDerWaalsContact C-N 3.26Å; N56-T58 PolarHBondContact O-N 2.93Å; N56-T58 WeakPolarHBondContact OD1-CB 3.38Å; N56-T58 PolarHBondContact OD1-N 3.28Å; N56-T58 PolarHBondContact OD1-OG1 3.34Å; T58-L95 HydrophobicContact CG2-CD1 4.28Å | ||
| 59 | L | 95.4 | Very high | 92.1 | Very high | 58 Ų | 58 | 55.7 Ų | 55.7 | 30% | 0.304 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 134.9 | 176.3 | -63.1 | 179.4 | 0 | 0 | 0 | 111.3 | I37 A51 Q52 F110 | I37-L59 HydrophobicContact CD1-CD2 3.86Å; A51-L59 WeakPolarHBondContact O-CA 3.47Å; Q52-L59 HydrophobicContact CB-CD2 3.85Å; Q52-L59 HydrophobicContact CG-CD2 3.94Å; L59-F110 HydrophobicContact CB-CB 3.7Å; L59-F110 HydrophobicContact CB-CD1 3.94Å; L59-F110 HydrophobicContact CB-CG 4.06Å; L59-F110 HydrophobicContact CD1-CD1 3.85Å; L59-F110 HydrophobicContact CD1-CE1 4.27Å; L59-F110 WeakPolarHBondContact O-CB 3.22Å; L59-F110 PolarHBondContact O-N 2.77Å |
| 60 | A | 96.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 157.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | W34 A51 L95 L107 I108 | W34-A60 HydrophobicContact CE3-CB 4.01Å; W34-A60 HydrophobicContact CH2-CB 3.71Å; W34-A60 HydrophobicContact CZ3-CB 3.36Å; A51-A60 HydrophobicContact CB-CB 4.41Å; A51-A60 PolarHBondContact N-O 2.81Å; A51-A60 PolarHBondContact O-N 3.11Å; A60-L95 HydrophobicContact CB-CD1 3.87Å; A60-L107 HydrophobicContact CB-CB 4.29Å; A60-L107 HydrophobicContact CB-CD1 4.38Å; A60-I108 CarbonylContact C-O 3.5Å; A60-I108 WeakPolarHBondContact CA-O 3.4Å; A60-I108 WeakPolarHBondContact CB-O 3.47Å |
| 61 | A | 94.9 | Very high | 90.1 | Very high | 12 Ų | 12 | 58.1 Ų | 58.1 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 124.2 | 153.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | L40 V48 Y49 I108 | L40-A61 HydrophobicContact CD1-CB 4Å; V48-A61 HydrophobicContact CG1-CB 4.09Å; Y49-A61 CarbonylContact O-C 3.59Å; Y49-A61 VanDerWaalsContact O-CA 3.32Å; Y49-A61 WeakPolarHBondContact O-CA 3.39Å; A61-I108 HydrophobicContact CB-CG1 4.01Å; A61-I108 PolarHBondContact N-O 3.02Å; A61-I108 PolarHBondContact O-N 3.28Å |
| 62 | A | 94.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 104.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | I36 V48 Y49 A51 V64 W105 L107 | I36-A62 HydrophobicContact CD1-CB 4.28Å; V48-A62 WeakPolarHBondContact CA-O 3.46Å; Y49-A62 PolarHBondContact N-O 3.41Å; Y49-A62 PolarHBondContact O-N 3.06Å; A51-A62 HydrophobicContact CB-CB 4.04Å; A62-V64 HydrophobicContact CB-CG2 4.35Å; A62-V64 PolarHBondContact O-N 3.37Å; A62-W105 HydrophobicContact CB-CE3 4.45Å; A62-L107 HydrophobicContact CB-CD1 3.38Å |
| 63 | K | 92.4 | Very high | 88.4 | Confident | 24 Ų | 24 | 57.9 Ų | 57.9 | 10% | 0.104 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 105.3 | 172 | -167.4 | -176 | -163.9 | 178.1 | 0 | 106.9 | V48 I65 E79 I106 D173 | V48-K63 HydrophobicContact CG2-CG 4.47Å; K63-I65 HydrophobicContact CD-CD1 4.41Å; K63-I65 HydrophobicContact CG-CD1 4.29Å; K63-I65 HydrophobicContact CG-CG1 4.41Å; K63-E79 IonicContact NZ-OE1 3.98Å; K63-E79 PolarHBondContact NZ-OE1 3.08Å; K63-E79 IonicContact NZ-OE2 2.61Å; K63-E79 PolarHBondContact NZ-OE2 2.77Å; K63-I106 HydrophobicContact CB-CB 4.27Å; K63-I106 HydrophobicContact CD-CD1 4.46Å; K63-I106 PolarHBondContact N-O 3.21Å; K63-I106 PolarHBondContact O-N 2.81Å; K63-D173 IonicContact NZ-OD1 2.7Å; K63-D173 PolarHBondContact NZ-OD1 3.08Å |
| 64 | V | 92 | Very high | 87.5 | Confident | 16 Ų | 16 | 61.2 Ų | 61.2 | 10% | 0.097 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 122.8 | -177.3 | -177 | 0 | 0 | 0 | 0 | 109.5 | G46 K47 Y49 A62 K103 L104 W105 | G46-V64 CarbonylContact C-O 3.56Å; G46-V64 WeakPolarHBondContact CA-O 3.36Å; K47-V64 PolarHBondContact N-O 3.43Å; K47-V64 PolarHBondContact O-N 2.98Å; Y49-V64 HydrophobicContact CD2-CB 4.25Å; Y49-V64 HydrophobicContact CD2-CG2 3.85Å; Y49-V64 HydrophobicContact CE2-CB 4.14Å; Y49-V64 HydrophobicContact CE2-CG2 4.17Å; A62-V64 HydrophobicContact CB-CG2 4.35Å; A62-V64 PolarHBondContact O-N 3.37Å; V64-K103 HydrophobicContact CG1-CD 4.46Å; V64-L104 WeakPolarHBondContact CA-O 3.21Å; V64-W105 HydrophobicContact CG1-CD2 4.45Å; V64-W105 HydrophobicContact CG1-CG 4.49Å; V64-W105 HydrophobicContact CG2-CD2 3.67Å; V64-W105 HydrophobicContact CG2-CE3 3.88Å; V64-W105 HydrophobicContact CG2-CG 4.06Å; V64-W105 HydrophobicContact CG2-CZ2 4.35Å; V64-W105 HydrophobicContact CG2-CZ3 4.32Å |
| 65 | I | 90.6 | Very high | 86.6 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 117.2 | -169.3 | -59.1 | 179 | 0 | 0 | 0 | 108.1 | F45 K63 T67 Y76 K103 L104 | F45-I65 HydrophobicContact CB-CD1 4.24Å; K63-I65 HydrophobicContact CD-CD1 4.41Å; K63-I65 HydrophobicContact CG-CD1 4.29Å; K63-I65 HydrophobicContact CG-CG1 4.41Å; I65-T67 HydrophobicContact CG2-CG2 4.19Å; I65-Y76 HydrophobicContact CD1-CD1 3.75Å; I65-Y76 HydrophobicContact CD1-CE1 3.67Å; I65-Y76 HydrophobicContact CD1-CG 4.39Å; I65-Y76 HydrophobicContact CG2-CE1 4.31Å; I65-Y76 HydrophobicContact CG2-CE2 3.98Å; I65-K103 CarbonylContact O-C 3.55Å; I65-K103 WeakPolarHBondContact O-CA 3.32Å; I65-L104 HydrophobicContact CB-CB 4.32Å; I65-L104 PolarHBondContact N-O 3.43Å; I65-L104 PolarHBondContact O-N 3.37Å |
| 66 | D | 89 | Confident | 86.1 | Confident | 115 Ų | 115 | 54.2 Ų | 54.2 | 62% | 0.615 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 118.5 | 173.2 | -67.4 | -42.1 | 0 | 0 | 0 | 109.7 | K103 | D66-K103 WeakPolarHBondContact OD1-CE 3.39Å; D66-K103 WeakPolarHBondContact OD1-CG 3.42Å; D66-K103 IonicContact OD1-NZ 3.76Å; D66-K103 PolarHBondContact OD1-NZ 3.08Å; D66-K103 IonicContact OD2-NZ 2.62Å |
| 67 | T | 83.8 | Confident | 85.6 | Confident | 15 Ų | 15 | 49.7 Ų | 49.7 | 9% | 0.092 | 26% | 0.261 | C | S | . | . | trans | -109.7 | 139.8 | 177.9 | 62.3 | 0 | 0 | 0 | 0 | 110.8 | I65 E72 Y76 Y99 G102 | I65-T67 HydrophobicContact CG2-CG2 4.19Å; T67-E72 WeakPolarHBondContact CA-OE2 3.47Å; T67-Y76 HydrophobicContact CG2-CE2 4.38Å; T67-Y99 WeakPolarHBondContact OG1-CE2 3.48Å; T67-G102 WeakPolarHBondContact CA-O 3.25Å; T67-G102 PolarHBondContact N-O 2.89Å; T67-G102 VanDerWaalsContact O-O 3.07Å; T67-G102 PolarHBondContact OG1-O 3.17Å | ||
| 68 | K | 78.8 | Confident | 85 | Confident | 185 Ų | 185 | 49.5 Ų | 49.5 | 80% | 0.804 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -90.6 | -24 | -179.1 | -60.8 | 165.3 | -173.2 | 162.1 | 0 | 112.1 | E72 | K68-E72 PolarHBondContact N-OE2 2.98Š|
| 69 | T | 76.8 | Confident | 84.6 | Confident | 64 Ų | 64 | 46.9 Ų | 46.9 | 39% | 0.393 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -142.6 | 154.9 | 179.2 | 67.2 | 0 | 0 | 0 | 0 | 111.4 | D71 E72 | T69-D71 PolarHBondContact O-N 3.26Å; T69-E72 PolarHBondContact O-N 3.16Å; T69-E72 WeakPolarHBondContact OG1-CG 3.15Å; T69-E72 PolarHBondContact OG1-N 3.24Å |
| 70 | E | 71.8 | Confident | 84.3 | Confident | 59 Ų | 59 | 44.1 Ų | 44.1 | 28% | 0.276 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -15.4 | 175.4 | -163.7 | 176.7 | 146.1 | 0 | 0 | 112.5 | R26 L73 | R26-E70 IonicContact CZ-OE1 2.79Å; R26-E70 VanDerWaalsContact NH1-CD 3.32Å; R26-E70 IonicContact NH1-OE1 3.33Å; R26-E70 PolarHBondContact NH1-OE1 3.24Å; R26-E70 IonicContact NH1-OE2 2.61Å; R26-E70 IonicContact NH2-OE1 2.68Å; R26-E70 PolarHBondContact NH2-OE1 3.28Å; E70-L73 VanDerWaalsContact O-CB 3.26Å; E70-L73 WeakPolarHBondContact O-CB 3.2Å; E70-L73 PolarHBondContact O-N 3.08Å |
| 71 | D | 75.6 | Confident | 83.9 | Confident | 107 Ų | 107 | 47.1 Ų | 47.1 | 57% | 0.572 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -32.2 | 176.4 | -60.1 | -44.5 | 0 | 0 | 0 | 111.4 | T69 L73 E74 | T69-D71 PolarHBondContact O-N 3.26Å; D71-L73 PolarHBondContact O-N 3.38Å; D71-E74 PolarHBondContact O-N 2.84Å |
| 72 | E | 77 | Confident | 83.5 | Confident | 69 Ų | 69 | 46.6 Ų | 46.6 | 32% | 0.322 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -21.1 | 172.2 | -73.2 | 168.2 | -171.1 | 0 | 0 | 112.8 | T67 K68 T69 E74 D75 Y76 | T67-E72 WeakPolarHBondContact CA-OE2 3.47Å; K68-E72 PolarHBondContact N-OE2 2.98Å; T69-E72 PolarHBondContact O-N 3.16Å; T69-E72 WeakPolarHBondContact OG1-CG 3.15Å; T69-E72 PolarHBondContact OG1-N 3.24Å; E72-E74 PolarHBondContact O-N 2.63Å; E72-D75 PolarHBondContact O-N 3.31Å; E72-Y76 WeakPolarHBondContact O-CD2 3.26Å |
| 73 | L | 79.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -27.9 | -179.6 | -170.7 | 51.7 | 0 | 0 | 0 | 112 | Y21 E70 D71 D75 Y76 M77 Y99 L104 | Y21-L73 HydrophobicContact CD2-CD2 3.94Å; Y21-L73 HydrophobicContact CD2-CG 4.4Å; Y21-L73 HydrophobicContact CE2-CD2 3.58Å; Y21-L73 HydrophobicContact CE2-CG 3.92Å; E70-L73 VanDerWaalsContact O-CB 3.26Å; E70-L73 WeakPolarHBondContact O-CB 3.2Å; E70-L73 PolarHBondContact O-N 3.08Å; D71-L73 PolarHBondContact O-N 3.38Å; L73-D75 VanDerWaalsContact C-N 3.27Å; L73-D75 PolarHBondContact O-N 3.27Å; L73-Y76 PolarHBondContact O-N 3.46Å; L73-Y76 VanDerWaalsContact O-N 3.14Å; L73-M77 HydrophobicContact CD1-CE 3.42Å; L73-M77 VanDerWaalsContact CD1-CE 3.42Å; L73-M77 HydrophobicContact CG-CE 3.75Å; L73-M77 HydrophobicContact CG-SD 4.43Å; L73-M77 WeakPolarHBondContact O-CE 3.48Å; L73-M77 WeakPolarHBondContact O-CG 3.22Å; L73-M77 PolarHBondContact O-N 2.93Å; L73-Y99 HydrophobicContact CD1-CD2 4.12Å; L73-Y99 HydrophobicContact CD1-CE2 4.49Å; L73-Y99 HydrophobicContact CD2-CD1 4.24Å; L73-Y99 HydrophobicContact CD2-CD2 3.72Å; L73-Y99 HydrophobicContact CD2-CE1 4.44Å; L73-Y99 HydrophobicContact CD2-CE2 3.95Å; L73-Y99 HydrophobicContact CD2-CG 3.86Å; L73-L104 HydrophobicContact CD1-CB 4.2Å; L73-L104 HydrophobicContact CD1-CD1 3.91Å; L73-L104 HydrophobicContact CD1-CD2 3.77Å; L73-L104 HydrophobicContact CD1-CG 4.17Å |
| 74 | E | 79.3 | Confident | 83.3 | Confident | 82 Ų | 82 | 47.8 Ų | 47.8 | 38% | 0.383 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.9 | -29.4 | -178.3 | -65.3 | -170 | -138.7 | 0 | 0 | 113.2 | K19 Y21 D71 E72 Y76 M77 | K19-E74 IonicContact NZ-OE1 3.87Å; K19-E74 PolarHBondContact NZ-OE1 2.87Å; K19-E74 IonicContact NZ-OE2 2.98Å; K19-E74 PolarHBondContact NZ-OE2 3.36Å; Y21-E74 VanDerWaalsContact OH-CG 3.32Å; Y21-E74 WeakPolarHBondContact OH-CG 3.01Å; D71-E74 PolarHBondContact O-N 2.84Å; E72-E74 PolarHBondContact O-N 2.63Å; E74-Y76 VanDerWaalsContact C-N 3.29Å; E74-Y76 PolarHBondContact O-N 2.9Å; E74-M77 PolarHBondContact O-N 3.02Å |
| 75 | D | 74.7 | Confident | 83.2 | Confident | 83 Ų | 83 | 49.9 Ų | 49.9 | 44% | 0.444 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.2 | -28.1 | 176.5 | -90.9 | -50.2 | 0 | 0 | 0 | 113 | E72 L73 R187 | E72-D75 PolarHBondContact O-N 3.31Å; L73-D75 VanDerWaalsContact C-N 3.27Å; L73-D75 PolarHBondContact O-N 3.27Å; D75-R187 PolarHBondContact O-NH2 2.9Å; D75-R187 IonicContact OD1-CZ 2.76Å; D75-R187 IonicContact OD1-NE 2.79Å; D75-R187 PolarHBondContact OD1-NE 2.79Å; D75-R187 IonicContact OD1-NH2 3.22Å; D75-R187 PolarHBondContact OD1-NH2 3.47Å |
| 76 | Y | 83.6 | Confident | 83.2 | Confident | 45 Ų | 45 | 50.1 Ų | 50.1 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -91.1 | -19.4 | -180 | -57.3 | -71.4 | 0 | 0 | 0 | 113.4 | F45 I65 T67 E72 L73 E74 V78 E79 I80 L104 | F45-Y76 HydrophobicContact CB-CE1 4.07Å; F45-Y76 HydrophobicContact CD1-CE1 4.19Å; F45-Y76 HydrophobicContact CG-CE1 4.23Å; I65-Y76 HydrophobicContact CD1-CD1 3.75Å; I65-Y76 HydrophobicContact CD1-CE1 3.67Å; I65-Y76 HydrophobicContact CD1-CG 4.39Å; I65-Y76 HydrophobicContact CG2-CE1 4.31Å; I65-Y76 HydrophobicContact CG2-CE2 3.98Å; T67-Y76 HydrophobicContact CG2-CE2 4.38Å; E72-Y76 WeakPolarHBondContact O-CD2 3.26Å; L73-Y76 PolarHBondContact O-N 3.46Å; L73-Y76 VanDerWaalsContact O-N 3.14Å; E74-Y76 VanDerWaalsContact C-N 3.29Å; E74-Y76 PolarHBondContact O-N 2.9Å; Y76-V78 PolarHBondContact O-N 2.95Å; Y76-E79 PolarHBondContact O-N 3.16Å; Y76-E79 VanDerWaalsContact O-N 3.09Å; Y76-I80 PolarHBondContact O-N 2.66Å; Y76-L104 HydrophobicContact CD2-CD2 4.04Å; Y76-L104 HydrophobicContact CG-CD2 3.75Å |
| 77 | M | 84.1 | Confident | 83.3 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 6% | 0.064 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60 | -29.7 | 177.2 | -63.3 | -54.5 | 88.3 | 0 | 0 | 112.1 | Y21 V24 L73 E74 E79 I80 D81 L104 | Y21-M77 HydrophobicContact CD1-CG 3.78Å; Y21-M77 HydrophobicContact CD1-SD 3.67Å; Y21-M77 HydrophobicContact CD2-SD 3.89Å; Y21-M77 HydrophobicContact CE1-CG 3.77Å; Y21-M77 HydrophobicContact CE1-SD 4.17Å; Y21-M77 HydrophobicContact CE2-SD 4.36Å; Y21-M77 HydrophobicContact CG-CG 4.25Å; Y21-M77 HydrophobicContact CG-SD 3.54Å; Y21-M77 VanDerWaalsContact CG-SD 3.54Å; V24-M77 HydrophobicContact CG2-CE 3.94Å; V24-M77 HydrophobicContact CG2-SD 3.82Å; L73-M77 HydrophobicContact CD1-CE 3.42Å; L73-M77 VanDerWaalsContact CD1-CE 3.42Å; L73-M77 HydrophobicContact CG-CE 3.75Å; L73-M77 HydrophobicContact CG-SD 4.43Å; L73-M77 WeakPolarHBondContact O-CE 3.48Å; L73-M77 WeakPolarHBondContact O-CG 3.22Å; L73-M77 PolarHBondContact O-N 2.93Å; E74-M77 PolarHBondContact O-N 3.02Å; M77-E79 PolarHBondContact O-N 3.14Å; M77-I80 HydrophobicContact CE-CD1 3.66Å; M77-I80 PolarHBondContact O-N 2.97Å; M77-D81 VanDerWaalsContact O-CB 3.25Å; M77-D81 WeakPolarHBondContact O-CB 3.5Å; M77-D81 PolarHBondContact O-N 2.82Å; M77-L104 HydrophobicContact CE-CD2 4.48Å |
| 78 | V | 79.7 | Confident | 83.8 | Confident | 28 Ų | 28 | 51.7 Ų | 51.7 | 17% | 0.17 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 175.9 | -172.6 | 0 | 0 | 0 | 0 | 111.7 | Y76 I82 Q185 | Y76-V78 PolarHBondContact O-N 2.95Å; V78-I82 HydrophobicContact CG1-CD1 3.94Å; V78-I82 WeakPolarHBondContact O-CB 3.19Å; V78-I82 WeakPolarHBondContact O-CD1 3.49Å; V78-I82 WeakPolarHBondContact O-CG1 3.29Å; V78-I82 PolarHBondContact O-N 3.08Å; V78-Q185 VanDerWaalsContact CG2-NE2 3.3Å |
| 79 | E | 85.9 | Confident | 84.6 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 3% | 0.033 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66 | -47.7 | 177 | 179.3 | 168.1 | -162.4 | 0 | 0 | 110.8 | K63 Y76 M77 I82 L83 F174 | K63-E79 IonicContact NZ-OE1 3.98Å; K63-E79 PolarHBondContact NZ-OE1 3.08Å; K63-E79 IonicContact NZ-OE2 2.61Å; K63-E79 PolarHBondContact NZ-OE2 2.77Å; Y76-E79 PolarHBondContact O-N 3.16Å; Y76-E79 VanDerWaalsContact O-N 3.09Å; M77-E79 PolarHBondContact O-N 3.14Å; E79-I82 PolarHBondContact O-N 2.62Å; E79-L83 HydrophobicContact CG-CD1 3.93Å; E79-L83 WeakPolarHBondContact O-CB 3.32Å; E79-L83 WeakPolarHBondContact O-CG 3.26Å; E79-L83 PolarHBondContact O-N 2.95Å; E79-F174 HydrophobicContact CG-CB 4.12Å; E79-F174 PolarHBondContact OE1-N 2.74Å |
| 80 | I | 89.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.8 | -47.4 | -178.8 | -57.9 | -178.5 | 0 | 0 | 0 | 110.9 | H23 V24 Y76 M77 I82 L83 A84 L94 A97 L104 I106 | H23-I80 HydrophobicContact CB-CG2 3.69Å; V24-I80 HydrophobicContact CG2-CD1 3.75Å; V24-I80 HydrophobicContact CG2-CG2 4.36Å; Y76-I80 PolarHBondContact O-N 2.66Å; M77-I80 HydrophobicContact CE-CD1 3.66Å; M77-I80 PolarHBondContact O-N 2.97Å; I80-I82 VanDerWaalsContact C-N 3.32Å; I80-I82 PolarHBondContact O-N 2.89Å; I80-L83 PolarHBondContact O-N 3.46Å; I80-A84 VanDerWaalsContact O-CB 3.25Å; I80-A84 WeakPolarHBondContact O-CB 3.42Å; I80-A84 PolarHBondContact O-N 2.98Å; I80-L94 HydrophobicContact CG2-CD2 3.81Å; I80-A97 HydrophobicContact CD1-CB 3.9Å; I80-A97 HydrophobicContact CG2-CB 4.36Å; I80-L104 HydrophobicContact CD1-CD1 4.04Å; I80-L104 HydrophobicContact CD1-CD2 4.39Å; I80-I106 HydrophobicContact CD1-CD1 4.01Å; I80-I106 HydrophobicContact CD1-CG1 3.97Å; I80-I106 HydrophobicContact CG1-CD1 3.78Å; I80-I106 HydrophobicContact CG1-CG1 4.13Å; I80-I106 HydrophobicContact CG1-CG2 4.39Å |
| 81 | D | 88.8 | Confident | 86.7 | Confident | 64 Ų | 64 | 41.8 Ų | 41.8 | 34% | 0.342 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.1 | -29.5 | 179.2 | -73.5 | -19.5 | 0 | 0 | 0 | 112.3 | H23 M77 S85 K179 | H23-D81 IonicContact CE1-OD1 2.79Å; H23-D81 IonicContact CG-OD1 2.79Å; H23-D81 IonicContact ND1-OD1 3.15Å; H23-D81 PolarHBondContact ND1-OD1 2.94Å; M77-D81 VanDerWaalsContact O-CB 3.25Å; M77-D81 WeakPolarHBondContact O-CB 3.5Å; M77-D81 PolarHBondContact O-N 2.82Å; D81-S85 WeakPolarHBondContact O-CB 3.28Å; D81-S85 PolarHBondContact O-N 3.34Å; D81-S85 PolarHBondContact O-OG 2.92Å; D81-K179 PolarHBondContact O-NZ 2.81Å |
| 82 | I | 88 | Confident | 87.6 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.3 | -56.8 | 169.2 | -74.7 | 169.4 | 0 | 0 | 0 | 109.2 | V78 E79 I80 A84 S85 C86 V151 F174 K179 | V78-I82 HydrophobicContact CG1-CD1 3.94Å; V78-I82 WeakPolarHBondContact O-CB 3.19Å; V78-I82 WeakPolarHBondContact O-CD1 3.49Å; V78-I82 WeakPolarHBondContact O-CG1 3.29Å; V78-I82 PolarHBondContact O-N 3.08Å; E79-I82 PolarHBondContact O-N 2.62Å; I80-I82 VanDerWaalsContact C-N 3.32Å; I80-I82 PolarHBondContact O-N 2.89Å; I82-A84 PolarHBondContact O-N 3.14Å; I82-S85 CarbonylContact O-C 3.56Å; I82-S85 PolarHBondContact O-N 2.79Å; I82-S85 PolarHBondContact O-OG 3.29Å; I82-C86 PolarHBondContact O-N 3.48Å; I82-C86 PolarHBondContact O-SG 3.3Å; I82-V151 HydrophobicContact CD1-CG1 4.1Å; I82-V151 HydrophobicContact CG1-CG1 4.4Å; I82-V151 HydrophobicContact CG2-CG1 3.98Å; I82-F174 HydrophobicContact CG2-CB 4.29Å; I82-F174 HydrophobicContact CG2-CD1 3.61Å; I82-F174 HydrophobicContact CG2-CE1 4.16Å; I82-F174 HydrophobicContact CG2-CG 4.1Å; I82-K179 HydrophobicContact CD1-CG 4.31Å; I82-K179 HydrophobicContact CG1-CD 4.22Å; I82-K179 VanDerWaalsContact CG1-CE 3.41Å; I82-K179 HydrophobicContact CG1-CG 3.81Å |
| 83 | L | 90.7 | Very high | 88.4 | Confident | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.4 | -42.4 | -175.9 | -70.4 | 171.4 | 0 | 0 | 0 | 112.8 | E79 I80 S85 C86 V92 L94 I108 F174 | E79-L83 HydrophobicContact CG-CD1 3.93Å; E79-L83 WeakPolarHBondContact O-CB 3.32Å; E79-L83 WeakPolarHBondContact O-CG 3.26Å; E79-L83 PolarHBondContact O-N 2.95Å; I80-L83 PolarHBondContact O-N 3.46Å; L83-S85 PolarHBondContact O-N 2.84Å; L83-C86 PolarHBondContact O-N 3.1Å; L83-C86 VanDerWaalsContact O-N 3.08Å; L83-V92 HydrophobicContact CD2-CG2 3.87Å; L83-V92 WeakPolarHBondContact CD2-O 3.23Å; L83-L94 HydrophobicContact CB-CB 4Å; L83-I108 HydrophobicContact CD1-CG2 4.11Å; L83-F174 HydrophobicContact CD2-CD2 3.53Å; L83-F174 HydrophobicContact CD2-CE2 3.8Å; L83-F174 HydrophobicContact CD2-CG 4.26Å; L83-F174 HydrophobicContact CG-CD2 4.27Å |
| 84 | A | 91 | Very high | 89.2 | Confident | 45 Ų | 45 | 39 Ų | 39 | 37% | 0.372 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.6 | -32.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | H23 I80 I82 L94 | H23-A84 HydrophobicContact CB-CB 4.42Å; I80-A84 VanDerWaalsContact O-CB 3.25Å; I80-A84 WeakPolarHBondContact O-CB 3.42Å; I80-A84 PolarHBondContact O-N 2.98Å; I82-A84 PolarHBondContact O-N 3.14Å; A84-L94 HydrophobicContact CB-CD2 3.96Å |
| 85 | S | 89.4 | Confident | 89.9 | Confident | 60 Ų | 60 | 38.1 Ų | 38.1 | 42% | 0.42 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -85.3 | -11.6 | 175.3 | 66.3 | 0 | 0 | 0 | 0 | 114.8 | D81 I82 L83 K179 | D81-S85 WeakPolarHBondContact O-CB 3.28Å; D81-S85 PolarHBondContact O-N 3.34Å; D81-S85 PolarHBondContact O-OG 2.92Å; I82-S85 CarbonylContact O-C 3.56Å; I82-S85 PolarHBondContact O-N 2.79Å; I82-S85 PolarHBondContact O-OG 3.29Å; L83-S85 PolarHBondContact O-N 2.84Å; S85-K179 PolarHBondContact OG-NZ 3.48Å |
| 86 | C | 90.4 | Very high | 90.8 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | trans | -100.5 | 98 | -176.1 | -70.5 | 0 | 0 | 0 | 0 | 111.9 | I82 L83 I91 Y145 | I82-C86 PolarHBondContact O-N 3.48Å; I82-C86 PolarHBondContact O-SG 3.3Å; L83-C86 PolarHBondContact O-N 3.1Å; L83-C86 VanDerWaalsContact O-N 3.08Å; C86-I91 HydrophobicContact CB-CG2 4.29Å; C86-Y145 HydrophobicContact CB-CE1 4.16Å | ||
| 87 | N | 91.5 | Very high | 91.4 | Very high | 122 Ų | 122 | 34 Ų | 34 | 65% | 0.652 | 19% | 0.185 | S | C | * | . | trans | -108.6 | 84.6 | 170.8 | -173.7 | 16.9 | 0 | 0 | 0 | 110.2 | Y145 | N87-Y145 PolarHBondContact N-OH 2.72Š| ||
| 88 | H | 95.6 | Very high | 91.9 | Very high | 41 Ų | 41 | 33.6 Ų | 33.6 | 19% | 0.19 | 18% | 0.182 | C | C | . | . | trans | -127.7 | 154.5 | 175.6 | -173 | -115.4 | 0 | 0 | 0 | 110.7 | H90 I91 Y145 | H88-H90 PolarHBondContact ND1-N 2.92Å; H88-I91 HydrophobicContact CB-CB 4.25Å; H88-I91 HydrophobicContact CB-CD1 3.78Å; H88-I91 HydrophobicContact CB-CG1 3.98Å; H88-Y145 HydrophobicContact CB-CD1 3.75Å; H88-Y145 HydrophobicContact CB-CD2 4.1Å; H88-Y145 HydrophobicContact CB-CE1 3.92Å; H88-Y145 HydrophobicContact CB-CE2 4.25Å; H88-Y145 HydrophobicContact CB-CG 3.84Å; H88-Y145 AromaticContact CD2-CD2 3.93Å; H88-Y145 AromaticContact CD2-CG 3.97Å; H88-Y145 AromaticContact CG-CG 3.87Å | ||
| 89 | H | 94.3 | Very high | 92.5 | Very high | 91 Ų | 91 | 33.6 Ų | 33.6 | 42% | 0.421 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -43.2 | -179.2 | 177.6 | 54.7 | 0 | 0 | 0 | 112 | I91 E168 K170 | H89-I91 PolarHBondContact O-N 2.88Å; H89-E168 IonicContact CE1-OE1 2.76Å; H89-E168 PolarHBondContact CE1-OE1 2.93Å; H89-E168 IonicContact CE1-OE2 3.55Å; H89-E168 IonicContact NE2-OE1 2.76Å; H89-E168 PolarHBondContact NE2-OE1 3.47Å; H89-K170 WeakPolarHBondContact O-CD 3.44Å; H89-K170 VanDerWaalsContact O-CE 3.24Å; H89-K170 WeakPolarHBondContact O-CE 3.34Å; H89-K170 PolarHBondContact O-NZ 3.14Å |
| 90 | H | 96.8 | Very high | 92.8 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 3% | 0.032 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 24.7 | -176.9 | -65.5 | -49 | 0 | 0 | 0 | 115.3 | H88 Q138 E141 A142 V169 L171 | H88-H90 PolarHBondContact ND1-N 2.92Å; H90-Q138 PolarHBondContact CE1-NE2 3.06Å; H90-Q138 WeakPolarHBondContact NE2-CG 3.47Å; H90-E141 IonicContact CD2-OE2 3.86Å; H90-E141 IonicContact NE2-OE2 3.49Å; H90-A142 HydrophobicContact CB-CB 3.98Å; H90-A142 WeakPolarHBondContact O-CB 3.37Å; H90-V169 VanDerWaalsContact CA-O 3.29Å; H90-V169 WeakPolarHBondContact CA-O 3.32Å; H90-V169 PolarHBondContact ND1-O 2.78Å; H90-L171 PolarHBondContact O-N 3.02Å |
| 91 | I | 96.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -125.8 | 143.5 | 174.7 | -61.3 | 177.8 | 0 | 0 | 0 | 108.2 | C86 H88 H89 K93 A142 Y145 L146 F174 | C86-I91 HydrophobicContact CB-CG2 4.29Å; H88-I91 HydrophobicContact CB-CB 4.25Å; H88-I91 HydrophobicContact CB-CD1 3.78Å; H88-I91 HydrophobicContact CB-CG1 3.98Å; H89-I91 PolarHBondContact O-N 2.88Å; I91-K93 PolarHBondContact O-N 3.37Å; I91-A142 HydrophobicContact CG1-CB 3.95Å; I91-Y145 HydrophobicContact CD1-CD1 3.64Å; I91-Y145 HydrophobicContact CD1-CE1 4.1Å; I91-L146 HydrophobicContact CD1-CD1 4.2Å; I91-L146 HydrophobicContact CD1-CD2 3.83Å; I91-L146 HydrophobicContact CD1-CG 3.77Å; I91-F174 HydrophobicContact CG2-CE2 3.89Å; I91-F174 HydrophobicContact CG2-CZ 3.73Å |
| 92 | V | 94.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 131.8 | 174.3 | -64.2 | 0 | 0 | 0 | 0 | 111 | L83 I108 E109 L162 K170 L171 A172 F174 | L83-V92 HydrophobicContact CD2-CG2 3.87Å; L83-V92 WeakPolarHBondContact CD2-O 3.23Å; V92-I108 HydrophobicContact CB-CD1 4.46Å; V92-I108 HydrophobicContact CG2-CD1 4.2Å; V92-E109 WeakPolarHBondContact CA-OE1 3.08Å; V92-E109 HydrophobicContact CB-CG 4.39Å; V92-L162 HydrophobicContact CG1-CD1 4.11Å; V92-K170 HydrophobicContact CG1-CB 3.9Å; V92-L171 PolarHBondContact N-O 3.03Å; V92-A172 HydrophobicContact CG1-CB 3.76Å; V92-A172 HydrophobicContact CG2-CB 4.06Å; V92-F174 HydrophobicContact CG2-CE2 4.49Å |
| 93 | K | 93.8 | Very high | 92.9 | Very high | 84 Ų | 84 | 45.1 Ų | 45.1 | 37% | 0.365 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -82.9 | 135.6 | 175.3 | -64.2 | -178.8 | 177.5 | 179.3 | 0 | 111.3 | I91 I108 E109 | I91-K93 PolarHBondContact O-N 3.37Å; K93-I108 CarbonylContact O-C 3.56Å; K93-I108 VanDerWaalsContact O-CA 3.22Å; K93-I108 WeakPolarHBondContact O-CA 3.37Å; K93-I108 WeakPolarHBondContact O-CB 3.5Å; K93-E109 HydrophobicContact CB-CB 4.46Å; K93-E109 HydrophobicContact CB-CG 4.33Å; K93-E109 PolarHBondContact N-OE1 3.21Å; K93-E109 PolarHBondContact O-N 3.39Å |
| 94 | L | 95 | Very high | 93 | Very high | 34 Ų | 34 | 44.9 Ų | 44.9 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 136.3 | 156.8 | -171.6 | 69.5 | 0 | 0 | 0 | 108.8 | I80 L83 A84 D96 I106 I108 | I80-L94 HydrophobicContact CG2-CD2 3.81Å; L83-L94 HydrophobicContact CB-CB 4Å; A84-L94 HydrophobicContact CB-CD2 3.96Å; L94-D96 WeakPolarHBondContact CD1-O 3.26Å; L94-I106 HydrophobicContact CD1-CG2 3.58Å; L94-I108 HydrophobicContact CD1-CG2 4.48Å |
| 95 | L | 94.6 | Very high | 93.1 | Very high | 63 Ų | 63 | 43.3 Ų | 43.3 | 33% | 0.33 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | -46.9 | 175.1 | -61 | -179.8 | 0 | 0 | 0 | 110.9 | W34 T58 A60 L107 | W34-L95 HydrophobicContact CH2-CD1 4.06Å; W34-L95 HydrophobicContact CZ2-CB 4.47Å; T58-L95 HydrophobicContact CG2-CD1 4.28Å; A60-L95 HydrophobicContact CB-CD1 3.87Å; L95-L107 HydrophobicContact CB-CB 4.35Å; L95-L107 PolarHBondContact N-O 2.79Å |
| 96 | D | 94 | Very high | 93.3 | Very high | 40 Ų | 40 | 40.5 Ų | 40.5 | 21% | 0.214 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 163.5 | 176.7 | -78.9 | -49.7 | 0 | 0 | 0 | 109.4 | W34 L94 F98 L107 | W34-D96 WeakPolarHBondContact CZ2-OD2 3.37Å; W34-D96 PolarHBondContact NE1-OD2 3.48Å; L94-D96 WeakPolarHBondContact CD1-O 3.26Å; D96-F98 HydrophobicContact CB-CD2 4.24Å; D96-F98 HydrophobicContact CB-CE2 3.47Å; D96-F98 VanDerWaalsContact CB-CE2 3.47Å; D96-F98 HydrophobicContact CB-CZ 4.04Å; D96-L107 HydrophobicContact CB-CB 4.11Å; D96-L107 HydrophobicContact CB-CD2 3.98Å; D96-L107 HydrophobicContact CB-CG 4.18Å; D96-L107 PolarHBondContact N-O 2.76Å; D96-L107 WeakPolarHBondContact O-CB 3.47Å; D96-L107 PolarHBondContact O-N 2.67Å |
| 97 | A | 95.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 144.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V24 H25 I80 W105 | V24-A97 HydrophobicContact CG2-CB 4.3Å; H25-A97 PolarHBondContact CD2-O 3.2Å; H25-A97 PolarHBondContact N-O 2.65Å; I80-A97 HydrophobicContact CD1-CB 3.9Å; I80-A97 HydrophobicContact CG2-CB 4.36Å; A97-W105 CarbonylContact C-O 3.57Å; A97-W105 WeakPolarHBondContact CA-O 3.21Å; A97-W105 WeakPolarHBondContact CB-O 3.49Å |
| 98 | F | 94.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 147.7 | -177.7 | -57.6 | -95.7 | 0 | 0 | 0 | 111.8 | H25 V28 P30 I33 W34 D96 L104 W105 L107 | H25-F98 HydrophobicContact CB-CD1 3.54Å; H25-F98 HydrophobicContact CB-CE1 3.85Å; H25-F98 HydrophobicContact CB-CG 4.32Å; H25-F98 AromaticContact CD2-CE1 3.95Å; H25-F98 CarbonylContact O-C 3.53Å; H25-F98 VanDerWaalsContact O-CA 3.27Å; H25-F98 WeakPolarHBondContact O-CA 3.27Å; V28-F98 HydrophobicContact CB-CD1 4.38Å; V28-F98 HydrophobicContact CG1-CD1 4.26Å; V28-F98 HydrophobicContact CG1-CE1 4.12Å; P30-F98 HydrophobicContact CB-CB 4.06Å; P30-F98 HydrophobicContact CB-CD1 4.42Å; P30-F98 HydrophobicContact CB-CD2 3.82Å; P30-F98 HydrophobicContact CB-CE2 4.37Å; P30-F98 HydrophobicContact CB-CG 3.85Å; P30-F98 HydrophobicContact CG-CB 4.31Å; I33-F98 HydrophobicContact CD1-CE1 3.72Å; I33-F98 HydrophobicContact CD1-CZ 3.72Å; W34-F98 AromaticContact CD1-CE2 3.84Å; W34-F98 AromaticContact NE1-CE2 3.88Å; D96-F98 HydrophobicContact CB-CD2 4.24Å; D96-F98 HydrophobicContact CB-CE2 3.47Å; D96-F98 VanDerWaalsContact CB-CE2 3.47Å; D96-F98 HydrophobicContact CB-CZ 4.04Å; F98-L104 WeakPolarHBondContact O-CA 3.32Å; F98-L104 WeakPolarHBondContact O-CD1 3.29Å; F98-W105 HydrophobicContact CB-CB 4.3Å; F98-W105 PolarHBondContact N-O 2.99Å; F98-W105 PolarHBondContact O-N 3.25Å; F98-L107 HydrophobicContact CD2-CD2 3.61Å; F98-L107 HydrophobicContact CE2-CD2 3.79Å |
| 99 | Y | 92.8 | Very high | 93.6 | Very high | 28 Ų | 28 | 35.6 Ų | 35.6 | 11% | 0.11 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 109.9 | 169.2 | -177.3 | -103.3 | 0 | 0 | 0 | 110 | H25 D27 T67 L73 K103 L104 | H25-Y99 PolarHBondContact O-N 2.78Å; D27-Y99 PolarHBondContact N-O 3.2Å; T67-Y99 WeakPolarHBondContact OG1-CE2 3.48Å; L73-Y99 HydrophobicContact CD1-CD2 4.12Å; L73-Y99 HydrophobicContact CD1-CE2 4.49Å; L73-Y99 HydrophobicContact CD2-CD1 4.24Å; L73-Y99 HydrophobicContact CD2-CD2 3.72Å; L73-Y99 HydrophobicContact CD2-CE1 4.44Å; L73-Y99 HydrophobicContact CD2-CE2 3.95Å; L73-Y99 HydrophobicContact CD2-CG 3.86Å; Y99-K103 WeakPolarHBondContact CA-O 3.37Å; Y99-L104 HydrophobicContact CD2-CB 4.45Å |
| 100 | F | 91.6 | Very high | 93.7 | Very high | 43 Ų | 43 | 33.7 Ų | 33.7 | 19% | 0.189 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 134.4 | -171.3 | -173 | -102.5 | 0 | 0 | 0 | 110.7 | V28 N29 G102 K103 | V28-F100 WeakPolarHBondContact O-CD2 3.48Å; N29-F100 HydrophobicContact CB-CD1 4.26Å; N29-F100 HydrophobicContact CB-CD2 4.37Å; N29-F100 HydrophobicContact CB-CE1 3.86Å; N29-F100 HydrophobicContact CB-CE2 3.99Å; N29-F100 HydrophobicContact CB-CZ 3.73Å; F100-G102 PolarHBondContact O-N 2.94Å; F100-G102 VanDerWaalsContact O-N 3.07Å; F100-K103 PolarHBondContact N-O 3.33Å; F100-K103 WeakPolarHBondContact O-CB 3.49Å; F100-K103 PolarHBondContact O-N 3.46Å |
| 101 | E | 89.8 | Confident | 93.6 | Very high | 166 Ų | 166 | 34.1 Ų | 34.1 | 78% | 0.776 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 37 | 178.9 | -67.9 | -174.3 | 165.8 | 0 | 0 | 115.5 | K103 | E101-K103 VanDerWaalsContact C-N 3.3Å; E101-K103 PolarHBondContact O-N 3.16Å |
| 102 | G | 87.8 | Confident | 93.3 | Very high | 24 Ų | 24 | 35.6 Ų | 35.6 | 25% | 0.247 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 8.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T67 F100 | T67-G102 WeakPolarHBondContact CA-O 3.25Å; T67-G102 PolarHBondContact N-O 2.89Å; T67-G102 VanDerWaalsContact O-O 3.07Å; T67-G102 PolarHBondContact OG1-O 3.17Å; F100-G102 PolarHBondContact O-N 2.94Å; F100-G102 VanDerWaalsContact O-N 3.07Å |
| 103 | K | 91.7 | Very high | 93.1 | Very high | 80 Ų | 80 | 36 Ų | 36 | 35% | 0.348 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130.4 | 177.2 | -53.7 | -174.1 | -179.6 | -102.5 | 0 | 110.8 | V64 I65 D66 Y99 F100 E101 | V64-K103 HydrophobicContact CG1-CD 4.46Å; I65-K103 CarbonylContact O-C 3.55Å; I65-K103 WeakPolarHBondContact O-CA 3.32Å; D66-K103 WeakPolarHBondContact OD1-CE 3.39Å; D66-K103 WeakPolarHBondContact OD1-CG 3.42Å; D66-K103 IonicContact OD1-NZ 3.76Å; D66-K103 PolarHBondContact OD1-NZ 3.08Å; D66-K103 IonicContact OD2-NZ 2.62Å; Y99-K103 WeakPolarHBondContact CA-O 3.37Å; F100-K103 PolarHBondContact N-O 3.33Å; F100-K103 WeakPolarHBondContact O-CB 3.49Å; F100-K103 PolarHBondContact O-N 3.46Å; E101-K103 VanDerWaalsContact C-N 3.3Å; E101-K103 PolarHBondContact O-N 3.16Å |
| 104 | L | 92.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 129.5 | 165 | 175.5 | 63.5 | 0 | 0 | 0 | 109.3 | V24 V64 I65 L73 Y76 M77 I80 F98 Y99 I106 | V24-L104 HydrophobicContact CG1-CD1 4.33Å; V64-L104 WeakPolarHBondContact CA-O 3.21Å; I65-L104 HydrophobicContact CB-CB 4.32Å; I65-L104 PolarHBondContact N-O 3.43Å; I65-L104 PolarHBondContact O-N 3.37Å; L73-L104 HydrophobicContact CD1-CB 4.2Å; L73-L104 HydrophobicContact CD1-CD1 3.91Å; L73-L104 HydrophobicContact CD1-CD2 3.77Å; L73-L104 HydrophobicContact CD1-CG 4.17Å; Y76-L104 HydrophobicContact CD2-CD2 4.04Å; Y76-L104 HydrophobicContact CG-CD2 3.75Å; M77-L104 HydrophobicContact CE-CD2 4.48Å; I80-L104 HydrophobicContact CD1-CD1 4.04Å; I80-L104 HydrophobicContact CD1-CD2 4.39Å; F98-L104 WeakPolarHBondContact O-CA 3.32Å; F98-L104 WeakPolarHBondContact O-CD1 3.29Å; Y99-L104 HydrophobicContact CD2-CB 4.45Å; L104-I106 HydrophobicContact CD1-CG1 4.4Å; L104-I106 HydrophobicContact CD2-CD1 4.07Å; L104-I106 HydrophobicContact CD2-CG1 4.14Å; L104-I106 HydrophobicContact CG-CG1 4.03Å |
| 105 | W | 93.9 | Very high | 92.8 | Very high | 13 Ų | 13 | 32.6 Ų | 32.6 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 122.6 | 172.3 | -68.9 | 56 | 0 | 0 | 0 | 108.4 | P30 E31 I36 A62 V64 A97 F98 L107 | P30-W105 HydrophobicContact CB-CD2 3.81Å; P30-W105 HydrophobicContact CB-CE3 3.8Å; P30-W105 HydrophobicContact CB-CG 4.19Å; P30-W105 HydrophobicContact CB-CZ3 4.18Å; P30-W105 HydrophobicContact CG-CD2 3.48Å; P30-W105 VanDerWaalsContact CG-CD2 3.48Å; P30-W105 VanDerWaalsContact CG-CE2 3.4Å; P30-W105 HydrophobicContact CG-CE3 3.94Å; P30-W105 HydrophobicContact CG-CG 3.8Å; P30-W105 HydrophobicContact CG-CH2 4.25Å; P30-W105 HydrophobicContact CG-CZ2 3.83Å; P30-W105 HydrophobicContact CG-CZ3 4.29Å; E31-W105 HydrophobicContact CG-CH2 3.79Å; E31-W105 HydrophobicContact CG-CZ2 4.08Å; I36-W105 HydrophobicContact CD1-CH2 4.06Å; I36-W105 HydrophobicContact CD1-CZ3 3.7Å; I36-W105 HydrophobicContact CG1-CH2 4.01Å; I36-W105 HydrophobicContact CG1-CZ3 4.15Å; A62-W105 HydrophobicContact CB-CE3 4.45Å; V64-W105 HydrophobicContact CG1-CD2 4.45Å; V64-W105 HydrophobicContact CG1-CG 4.49Å; V64-W105 HydrophobicContact CG2-CD2 3.67Å; V64-W105 HydrophobicContact CG2-CE3 3.88Å; V64-W105 HydrophobicContact CG2-CG 4.06Å; V64-W105 HydrophobicContact CG2-CZ2 4.35Å; V64-W105 HydrophobicContact CG2-CZ3 4.32Å; A97-W105 CarbonylContact C-O 3.57Å; A97-W105 WeakPolarHBondContact CA-O 3.21Å; A97-W105 WeakPolarHBondContact CB-O 3.49Å; F98-W105 HydrophobicContact CB-CB 4.3Å; F98-W105 PolarHBondContact N-O 2.99Å; F98-W105 PolarHBondContact O-N 3.25Å; W105-L107 HydrophobicContact CB-CD2 4.08Å |
| 106 | I | 93.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 115.2 | 171.7 | -47.6 | 179.6 | 0 | 0 | 0 | 107.5 | K63 I80 L94 L104 I108 | K63-I106 HydrophobicContact CB-CB 4.27Å; K63-I106 HydrophobicContact CD-CD1 4.46Å; K63-I106 PolarHBondContact N-O 3.21Å; K63-I106 PolarHBondContact O-N 2.81Å; I80-I106 HydrophobicContact CD1-CD1 4.01Å; I80-I106 HydrophobicContact CD1-CG1 3.97Å; I80-I106 HydrophobicContact CG1-CD1 3.78Å; I80-I106 HydrophobicContact CG1-CG1 4.13Å; I80-I106 HydrophobicContact CG1-CG2 4.39Å; L94-I106 HydrophobicContact CD1-CG2 3.58Å; L104-I106 HydrophobicContact CD1-CG1 4.4Å; L104-I106 HydrophobicContact CD2-CD1 4.07Å; L104-I106 HydrophobicContact CD2-CG1 4.14Å; L104-I106 HydrophobicContact CG-CG1 4.03Å; I106-I108 HydrophobicContact CG2-CG2 4.25Å |
| 107 | L | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 114.6 | -178.7 | -64.8 | -52.2 | 0 | 0 | 0 | 108.5 | W34 A60 A62 L95 D96 F98 W105 | W34-L107 HydrophobicContact CD2-CD1 4.34Å; W34-L107 HydrophobicContact CD2-CG 4.26Å; W34-L107 HydrophobicContact CG-CD1 4.42Å; W34-L107 HydrophobicContact CG-CG 4.42Å; W34-L107 HydrophobicContact CZ2-CG 4.47Å; A60-L107 HydrophobicContact CB-CB 4.29Å; A60-L107 HydrophobicContact CB-CD1 4.38Å; A62-L107 HydrophobicContact CB-CD1 3.38Å; L95-L107 HydrophobicContact CB-CB 4.35Å; L95-L107 PolarHBondContact N-O 2.79Å; D96-L107 HydrophobicContact CB-CB 4.11Å; D96-L107 HydrophobicContact CB-CD2 3.98Å; D96-L107 HydrophobicContact CB-CG 4.18Å; D96-L107 PolarHBondContact N-O 2.76Å; D96-L107 WeakPolarHBondContact O-CB 3.47Å; D96-L107 PolarHBondContact O-N 2.67Å; F98-L107 HydrophobicContact CD2-CD2 3.61Å; F98-L107 HydrophobicContact CE2-CD2 3.79Å; W105-L107 HydrophobicContact CB-CD2 4.08Å |
| 108 | I | 94.4 | Very high | 92.3 | Very high | 29 Ų | 29 | 33.4 Ų | 33.4 | 15% | 0.149 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 161.2 | 176 | 62.3 | 171.3 | 0 | 0 | 0 | 111.7 | A60 A61 L83 V92 K93 L94 I106 F110 | A60-I108 CarbonylContact C-O 3.5Å; A60-I108 WeakPolarHBondContact CA-O 3.4Å; A60-I108 WeakPolarHBondContact CB-O 3.47Å; A61-I108 HydrophobicContact CB-CG1 4.01Å; A61-I108 PolarHBondContact N-O 3.02Å; A61-I108 PolarHBondContact O-N 3.28Å; L83-I108 HydrophobicContact CD1-CG2 4.11Å; V92-I108 HydrophobicContact CB-CD1 4.46Å; V92-I108 HydrophobicContact CG2-CD1 4.2Å; K93-I108 CarbonylContact O-C 3.56Å; K93-I108 VanDerWaalsContact O-CA 3.22Å; K93-I108 WeakPolarHBondContact O-CA 3.37Å; K93-I108 WeakPolarHBondContact O-CB 3.5Å; L94-I108 HydrophobicContact CD1-CG2 4.48Å; I106-I108 HydrophobicContact CG2-CG2 4.25Å; I108-F110 PolarHBondContact O-N 2.85Å |
| 109 | E | 94.5 | Very high | 92 | Very high | 37 Ų | 37 | 33.6 Ų | 33.6 | 17% | 0.173 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 131.7 | -178.5 | 69.3 | -175.9 | 175 | 0 | 0 | 113.4 | V92 K93 C111 K170 | V92-E109 WeakPolarHBondContact CA-OE1 3.08Å; V92-E109 HydrophobicContact CB-CG 4.39Å; K93-E109 HydrophobicContact CB-CB 4.46Å; K93-E109 HydrophobicContact CB-CG 4.33Å; K93-E109 PolarHBondContact N-OE1 3.21Å; K93-E109 PolarHBondContact O-N 3.39Å; E109-C111 PolarHBondContact O-N 2.83Å; E109-K170 VanDerWaalsContact OE1-CD 3.31Å; E109-K170 WeakPolarHBondContact OE1-CD 3.34Å; E109-K170 WeakPolarHBondContact OE1-CE 3.44Å; E109-K170 IonicContact OE1-NZ 2.68Å; E109-K170 PolarHBondContact OE1-NZ 3.07Å; E109-K170 IonicContact OE2-NZ 2.62Å; E109-K170 PolarHBondContact OE2-NZ 3.29Å |
| 110 | F | 95 | Very high | 91.9 | Very high | 52 Ų | 52 | 32.3 Ų | 32.3 | 23% | 0.228 | 19% | 0.186 | C | C | . | . | trans | -74.2 | 100.2 | -177.5 | 178.4 | -111.5 | 0 | 0 | 0 | 112 | L40 K50 L59 I108 A112 | L40-F110 HydrophobicContact CD1-CD2 4.08Å; L40-F110 HydrophobicContact CD1-CE2 3.86Å; L40-F110 HydrophobicContact CD2-CE2 3.96Å; K50-F110 HydrophobicContact CD-CE1 4.45Å; K50-F110 HydrophobicContact CD-CE2 4.15Å; K50-F110 HydrophobicContact CD-CZ 4.03Å; K50-F110 HydrophobicContact CG-CD2 4.17Å; K50-F110 HydrophobicContact CG-CE2 4.03Å; K50-F110 HydrophobicContact CG-CZ 4.39Å; L59-F110 HydrophobicContact CB-CB 3.7Å; L59-F110 HydrophobicContact CB-CD1 3.94Å; L59-F110 HydrophobicContact CB-CG 4.06Å; L59-F110 HydrophobicContact CD1-CD1 3.85Å; L59-F110 HydrophobicContact CD1-CE1 4.27Å; L59-F110 WeakPolarHBondContact O-CB 3.22Å; L59-F110 PolarHBondContact O-N 2.77Å; I108-F110 PolarHBondContact O-N 2.85Å; F110-A112 VanDerWaalsContact C-N 3.35Å; F110-A112 HydrophobicContact CD1-CB 3.93Å; F110-A112 HydrophobicContact CE1-CB 3.56Å; F110-A112 HydrophobicContact CZ-CB 4.36Å; F110-A112 PolarHBondContact O-N 3.49Å | ||
| 111 | C | 94.9 | Very high | 91.4 | Very high | 16 Ų | 16 | 36 Ų | 36 | 11% | 0.108 | 21% | 0.208 | C | C | . | . | trans | -75 | 84.6 | 176.6 | -63.1 | 0 | 0 | 0 | 0 | 110.9 | E109 G113 G114 L162 L163 K170 | E109-C111 PolarHBondContact O-N 2.83Å; C111-G113 PolarHBondContact O-N 3.33Å; C111-G114 PolarHBondContact O-N 3.01Å; C111-L162 HydrophobicContact CB-CB 3.53Å; C111-L162 HydrophobicContact CB-CD1 3.86Å; C111-L162 HydrophobicContact CB-CG 4.34Å; C111-L163 CarbonylContact C-O 3.53Å; C111-K170 VanDerWaalsContact SG-CB 3.59Å | ||
| 112 | A | 89.9 | Confident | 91 | Very high | 32 Ų | 32 | 34 Ų | 34 | 26% | 0.264 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -17.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | F110 G114 L165 K309 | F110-A112 VanDerWaalsContact C-N 3.35Å; F110-A112 HydrophobicContact CD1-CB 3.93Å; F110-A112 HydrophobicContact CE1-CB 3.56Å; F110-A112 HydrophobicContact CZ-CB 4.36Å; F110-A112 PolarHBondContact O-N 3.49Å; A112-G114 VanDerWaalsContact C-N 3.31Å; A112-L165 HydrophobicContact CB-CD1 4.22Å; A112-L165 HydrophobicContact CB-CG 4.12Å; A112-K309 PolarHBondContact O-NZ 2.84Å |
| 113 | G | 89.8 | Confident | 90.8 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 9% | 0.093 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -23.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | C111 L163 | C111-G113 PolarHBondContact O-N 3.33Å; G113-L163 WeakPolarHBondContact CA-O 3.28Å; G113-L163 PolarHBondContact N-O 3.22Å |
| 114 | G | 91.4 | Very high | 90.4 | Very high | 29 Ų | 29 | 33.9 Ų | 33.9 | 30% | 0.299 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 87.6 | -178 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | C111 A112 L162 L163 | C111-G114 PolarHBondContact O-N 3.01Å; A112-G114 VanDerWaalsContact C-N 3.31Å; G114-L162 CarbonylContact O-C 3.54Å; G114-L162 WeakPolarHBondContact O-CA 3.33Å; G114-L163 PolarHBondContact O-N 3.04Å |
| 115 | A | 92.1 | Very high | 90.1 | Very high | 17 Ų | 17 | 36.7 Ų | 36.7 | 14% | 0.14 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 151.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D117 A118 I119 I161 L162 | A115-D117 VanDerWaalsContact C-N 3.34Å; A115-D117 WeakPolarHBondContact CB-OD1 3.5Å; A115-D117 PolarHBondContact O-N 3.49Å; A115-A118 PolarHBondContact O-N 3.33Å; A115-I119 WeakPolarHBondContact O-CG1 3.39Å; A115-I119 PolarHBondContact O-N 2.93Å; A115-I119 VanDerWaalsContact O-N 3.16Å; A115-I161 WeakPolarHBondContact CA-O 3.45Å; A115-L162 HydrophobicContact CB-CD2 3.61Å |
| 116 | V | 94.8 | Very high | 90 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.9 | -28.7 | -174 | -178.3 | 0 | 0 | 0 | 0 | 112.6 | I119 M120 L127 A158 I161 L163 L228 | V116-I119 PolarHBondContact O-N 2.79Å; V116-M120 WeakPolarHBondContact O-CG 3.46Å; V116-M120 PolarHBondContact O-N 3.15Å; V116-L127 HydrophobicContact CG1-CD1 3.87Å; V116-L127 HydrophobicContact CG1-CD2 3.82Å; V116-A158 PolarHBondContact N-O 3.05Å; V116-I161 HydrophobicContact CG2-CB 4.24Å; V116-I161 HydrophobicContact CG2-CG2 3.75Å; V116-I161 WeakPolarHBondContact CG2-O 3.32Å; V116-I161 PolarHBondContact N-O 2.77Å; V116-L163 HydrophobicContact CG2-CD1 4.11Å; V116-L163 HydrophobicContact CG2-CD2 4.06Å; V116-L163 HydrophobicContact CG2-CG 3.92Å; V116-L228 HydrophobicContact CB-CD2 4.23Å; V116-L228 HydrophobicContact CG1-CD2 3.36Å |
| 117 | D | 91.5 | Very high | 90.1 | Very high | 71 Ų | 71 | 38.6 Ų | 38.6 | 38% | 0.38 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.5 | -44.5 | 172.2 | 65.7 | -23 | 0 | 0 | 0 | 112.3 | A115 I119 M120 L121 A158 G159 | A115-D117 VanDerWaalsContact C-N 3.34Å; A115-D117 WeakPolarHBondContact CB-OD1 3.5Å; A115-D117 PolarHBondContact O-N 3.49Å; D117-I119 VanDerWaalsContact C-N 3.28Å; D117-I119 PolarHBondContact O-N 3.37Å; D117-M120 PolarHBondContact O-N 3.44Å; D117-M120 VanDerWaalsContact O-N 3.17Å; D117-L121 WeakPolarHBondContact O-CB 3.5Å; D117-L121 PolarHBondContact O-N 3.27Å; D117-A158 HydrophobicContact CB-CB 4.22Å; D117-G159 WeakPolarHBondContact OD1-CA 3.33Å; D117-G159 WeakPolarHBondContact OD2-CA 3.46Å |
| 118 | A | 87.1 | Confident | 90.2 | Very high | 51 Ų | 51 | 41.7 Ų | 41.7 | 42% | 0.421 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.5 | -36.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A115 L121 E122 | A115-A118 PolarHBondContact O-N 3.33Å; A118-L121 PolarHBondContact O-N 3.48Å; A118-E122 WeakPolarHBondContact O-CB 3.27Å; A118-E122 PolarHBondContact O-N 3.33Å |
| 119 | I | 88.5 | Confident | 90.2 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.5 | -42.8 | 173.6 | -68.1 | 169.6 | 0 | 0 | 0 | 111.4 | A115 V116 D117 L121 L123 L163 L304 I305 A308 | A115-I119 WeakPolarHBondContact O-CG1 3.39Å; A115-I119 PolarHBondContact O-N 2.93Å; A115-I119 VanDerWaalsContact O-N 3.16Å; V116-I119 PolarHBondContact O-N 2.79Å; D117-I119 VanDerWaalsContact C-N 3.28Å; D117-I119 PolarHBondContact O-N 3.37Å; I119-L121 VanDerWaalsContact C-N 3.3Å; I119-L121 PolarHBondContact O-N 3.16Å; I119-L123 HydrophobicContact CG2-CD1 3.71Å; I119-L123 HydrophobicContact CG2-CG 4.42Å; I119-L123 WeakPolarHBondContact O-CB 3.42Å; I119-L123 VanDerWaalsContact O-CG 3.23Å; I119-L123 WeakPolarHBondContact O-CG 3.38Å; I119-L123 PolarHBondContact O-N 3.15Å; I119-L163 HydrophobicContact CD1-CD1 3.67Å; I119-L163 HydrophobicContact CD1-CG 4.36Å; I119-L304 HydrophobicContact CG2-CD1 4.13Å; I119-L304 HydrophobicContact CG2-CD2 3.97Å; I119-L304 HydrophobicContact CG2-CG 3.81Å; I119-I305 HydrophobicContact CD1-CG1 4.37Å; I119-A308 HydrophobicContact CG2-CB 4.23Å |
| 120 | M | 89.3 | Confident | 90.3 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -37.4 | 175.1 | -71.9 | -169.6 | -64.5 | 0 | 0 | 112.3 | V116 D117 E124 R125 L127 A158 E227 L228 V231 | V116-M120 WeakPolarHBondContact O-CG 3.46Å; V116-M120 PolarHBondContact O-N 3.15Å; D117-M120 PolarHBondContact O-N 3.44Å; D117-M120 VanDerWaalsContact O-N 3.17Å; M120-E124 PolarHBondContact O-N 3.49Å; M120-E124 VanDerWaalsContact O-N 3.11Å; M120-R125 PolarHBondContact O-N 2.61Å; M120-L127 HydrophobicContact CG-CD1 3.39Å; M120-L127 HydrophobicContact SD-CD1 3.9Å; M120-A158 HydrophobicContact CE-CB 4.12Å; M120-E227 HydrophobicContact CE-CG 4.41Å; M120-L228 HydrophobicContact CE-CD2 3.91Å; M120-L228 HydrophobicContact SD-CD2 4.16Å; M120-V231 HydrophobicContact CB-CG1 4.44Å |
| 121 | L | 82.1 | Confident | 90.4 | Very high | 121 Ų | 121 | 41.3 Ų | 41.3 | 63% | 0.634 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -66.5 | -48.8 | 177.5 | -175 | 64 | 0 | 0 | 0 | 111.9 | D117 A118 I119 L123 E124 | D117-L121 WeakPolarHBondContact O-CB 3.5Å; D117-L121 PolarHBondContact O-N 3.27Å; A118-L121 PolarHBondContact O-N 3.48Å; I119-L121 VanDerWaalsContact C-N 3.3Å; I119-L121 PolarHBondContact O-N 3.16Å; L121-L123 VanDerWaalsContact C-N 3.32Å; L121-L123 PolarHBondContact O-N 3.29Å; L121-E124 PolarHBondContact O-N 3.41Å |
| 122 | E | 82.3 | Confident | 90.6 | Very high | 123 Ų | 123 | 40.5 Ų | 40.5 | 58% | 0.575 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -66 | -32.4 | 179.3 | -174.6 | 58.3 | -143.3 | 0 | 0 | 112.8 | A118 | A118-E122 WeakPolarHBondContact O-CB 3.27Å; A118-E122 PolarHBondContact O-N 3.33Å |
| 123 | L | 83.2 | Confident | 91 | Very high | 13 Ų | 13 | 41 Ų | 41 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -85.9 | -8.3 | 177.2 | -62.8 | 175.6 | 0 | 0 | 0 | 113.5 | I119 L121 R125 L304 E307 A308 R744 | I119-L123 HydrophobicContact CG2-CD1 3.71Å; I119-L123 HydrophobicContact CG2-CG 4.42Å; I119-L123 WeakPolarHBondContact O-CB 3.42Å; I119-L123 VanDerWaalsContact O-CG 3.23Å; I119-L123 WeakPolarHBondContact O-CG 3.38Å; I119-L123 PolarHBondContact O-N 3.15Å; L121-L123 VanDerWaalsContact C-N 3.32Å; L121-L123 PolarHBondContact O-N 3.29Å; L123-R125 HydrophobicContact CB-CG 3.81Å; L123-R125 PolarHBondContact O-N 3.33Å; L123-L304 HydrophobicContact CD1-CD1 3.39Å; L123-L304 HydrophobicContact CD1-CG 4.28Å; L123-E307 HydrophobicContact CD2-CB 4.33Å; L123-E307 HydrophobicContact CD2-CG 3.86Å; L123-A308 HydrophobicContact CD1-CB 4.28Å; L123-A308 HydrophobicContact CD2-CB 4.02Å; L123-A308 HydrophobicContact CG-CB 4.12Å; L123-R744 VanDerWaalsContact CD2-NH1 3.28Å |
| 124 | E | 82.2 | Confident | 91.3 | Very high | 89 Ų | 89 | 40.7 Ų | 40.7 | 42% | 0.416 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 35 | -170 | -61.7 | -163.5 | 164.7 | 0 | 0 | 114.2 | M120 L121 R772 R776 | M120-E124 PolarHBondContact O-N 3.49Å; M120-E124 VanDerWaalsContact O-N 3.11Å; L121-E124 PolarHBondContact O-N 3.41Å; E124-R772 WeakPolarHBondContact OE2-CD 3.35Å; E124-R772 IonicContact OE2-CZ 3.88Å; E124-R772 IonicContact OE2-NE 2.72Å; E124-R772 IonicContact OE2-NH1 2.79Å; E124-R772 PolarHBondContact OE2-NH1 2.95Å; E124-R776 IonicContact OE1-CZ 2.77Å; E124-R776 IonicContact OE1-NH1 3.31Å; E124-R776 PolarHBondContact OE1-NH1 2.95Å; E124-R776 IonicContact OE2-NH1 2.63Å |
| 125 | R | 86.9 | Confident | 91.7 | Very high | 59 Ų | 59 | 39.3 Ų | 39.3 | 22% | 0.223 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -152 | 152.8 | -178.8 | 66.1 | 173.3 | -173.5 | 71.9 | -5 | 113.2 | M120 L123 L304 E307 | M120-R125 PolarHBondContact O-N 2.61Å; L123-R125 HydrophobicContact CB-CG 3.81Å; L123-R125 PolarHBondContact O-N 3.33Å; R125-L304 VanDerWaalsContact NH2-CD1 3.33Å; R125-E307 IonicContact CZ-OE2 3.69Å; R125-E307 IonicContact NE-OE1 2.68Å; R125-E307 IonicContact NE-OE2 3.66Å; R125-E307 IonicContact NH2-OE2 3.89Å; R125-E307 PolarHBondContact NH2-OE2 2.72Å |
| 126 | P | 91.6 | Very high | 92 | Very high | 49 Ų | 49 | 38.5 Ų | 38.5 | 32% | 0.318 | 21% | 0.205 | S | C | . | . | P | Polyproline II helix | trans | -66.9 | 169.1 | 168 | 29.6 | -35.6 | 0 | 0 | 0 | 112.1 | L228 A229 V231 | P126-L228 WeakPolarHBondContact CB-O 3.15Å; P126-A229 WeakPolarHBondContact CB-O 3.18Å; P126-V231 HydrophobicContact CB-CG2 4.02Å; P126-V231 HydrophobicContact CG-CG2 4.48Å |
| 127 | L | 95.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -72 | 150 | 171.7 | -89.8 | 61.9 | 0 | 0 | 0 | 111.1 | V116 M120 Q131 I132 V135 L228 L304 | V116-L127 HydrophobicContact CG1-CD1 3.87Å; V116-L127 HydrophobicContact CG1-CD2 3.82Å; M120-L127 HydrophobicContact CG-CD1 3.39Å; M120-L127 HydrophobicContact SD-CD1 3.9Å; L127-Q131 HydrophobicContact CB-CB 4.07Å; L127-Q131 HydrophobicContact CD2-CB 4Å; L127-Q131 HydrophobicContact CG-CB 3.99Å; L127-I132 HydrophobicContact CB-CD1 4.32Å; L127-I132 HydrophobicContact CB-CG1 3.68Å; L127-V135 HydrophobicContact CD2-CG2 4.25Å; L127-L228 HydrophobicContact CD2-CD1 4.32Å; L127-L228 HydrophobicContact CD2-CD2 4.33Å; L127-L228 PolarHBondContact N-O 3.31Å; L127-L304 HydrophobicContact CD1-CD2 4.1Å; L127-L304 HydrophobicContact CD2-CD2 4.07Å; L127-L304 HydrophobicContact CG-CD2 3.87Å |
| 128 | T | 96.1 | Very high | 92.4 | Very high | 65 Ų | 65 | 38.8 Ų | 38.8 | 40% | 0.399 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -78.3 | 155.1 | 170.9 | 63.5 | 0 | 0 | 0 | 0 | 110.7 | P130 Q131 I132 | T128-P130 VanDerWaalsContact C-CD 3.49Å; T128-P130 VanDerWaalsContact C-N 3.33Å; T128-Q131 WeakPolarHBondContact O-CA 3.42Å; T128-Q131 WeakPolarHBondContact O-CB 3.44Å; T128-Q131 PolarHBondContact O-N 2.96Å; T128-Q131 PolarHBondContact OG1-OE1 3.36Å; T128-I132 WeakPolarHBondContact O-CG1 3.29Å; T128-I132 PolarHBondContact O-N 3.18Å |
| 129 | E | 96.3 | Very high | 92.9 | Very high | 31 Ų | 31 | 36.4 Ų | 36.4 | 15% | 0.145 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.5 | -36.8 | -178.1 | -154.3 | -172.3 | 79 | 0 | 0 | 114.5 | Q131 I132 R133 W261 S262 F265 F291 | E129-Q131 PolarHBondContact O-N 3.3Å; E129-I132 PolarHBondContact O-N 2.91Å; E129-R133 WeakPolarHBondContact O-CG 3.42Å; E129-R133 PolarHBondContact O-N 3.26Å; E129-R133 IonicContact OE1-CZ 3.81Å; E129-R133 IonicContact OE1-NH1 2.78Å; E129-R133 PolarHBondContact OE1-NH1 2.93Å; E129-R133 IonicContact OE1-NH2 2.71Å; E129-R133 PolarHBondContact OE1-NH2 2.94Å; E129-W261 HydrophobicContact CB-CE3 4.02Å; E129-W261 HydrophobicContact CB-CZ3 3.92Å; E129-W261 HydrophobicContact CG-CE3 3.96Å; E129-W261 HydrophobicContact CG-CZ3 4.21Å; E129-S262 WeakPolarHBondContact OE1-CB 3.39Å; E129-S262 PolarHBondContact OE1-OG 3.29Å; E129-S262 WeakPolarHBondContact OE2-CB 3.38Å; E129-S262 PolarHBondContact OE2-N 3.2Å; E129-S262 PolarHBondContact OE2-OG 3.34Å; E129-F265 HydrophobicContact CG-CD1 4.16Å; E129-F291 HydrophobicContact CG-CE2 3.92Å; E129-F291 HydrophobicContact CG-CZ 4.46Å |
| 130 | P | 96.1 | Very high | 93.4 | Very high | 66 Ų | 66 | 36 Ų | 36 | 43% | 0.429 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.9 | -36.8 | 170.5 | -25.3 | 36.4 | 0 | 0 | 0 | 114.1 | T128 R133 V134 P300 | T128-P130 VanDerWaalsContact C-CD 3.49Å; T128-P130 VanDerWaalsContact C-N 3.33Å; P130-R133 PolarHBondContact O-N 3.46Å; P130-V134 WeakPolarHBondContact O-CG2 3.34Å; P130-V134 PolarHBondContact O-N 3.21Å; P130-P300 HydrophobicContact CB-CB 4.31Å; P130-P300 HydrophobicContact CB-CG 4.28Å |
| 131 | Q | 97.4 | Very high | 93.8 | Very high | 13 Ų | 13 | 38.7 Ų | 38.7 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.7 | -44.3 | 175.4 | -72.9 | 154.1 | -14.1 | 0 | 0 | 110.7 | L127 T128 E129 R133 V134 V135 P300 L301 L304 | L127-Q131 HydrophobicContact CB-CB 4.07Å; L127-Q131 HydrophobicContact CD2-CB 4Å; L127-Q131 HydrophobicContact CG-CB 3.99Å; T128-Q131 WeakPolarHBondContact O-CA 3.42Å; T128-Q131 WeakPolarHBondContact O-CB 3.44Å; T128-Q131 PolarHBondContact O-N 2.96Å; T128-Q131 PolarHBondContact OG1-OE1 3.36Å; E129-Q131 PolarHBondContact O-N 3.3Å; Q131-R133 VanDerWaalsContact C-N 3.3Å; Q131-R133 PolarHBondContact O-N 3.13Å; Q131-V134 PolarHBondContact O-N 2.97Å; Q131-V135 PolarHBondContact O-N 2.68Å; Q131-V135 VanDerWaalsContact O-N 3.14Å; Q131-P300 HydrophobicContact CG-CB 3.86Å; Q131-P300 VanDerWaalsContact CG-O 3.25Å; Q131-P300 WeakPolarHBondContact CG-O 3.42Å; Q131-P300 PolarHBondContact NE2-O 3.4Å; Q131-P300 VanDerWaalsContact NE2-O 3.12Å; Q131-L301 HydrophobicContact CB-CD2 3.93Å; Q131-L301 HydrophobicContact CG-CD2 4.11Å; Q131-L304 HydrophobicContact CG-CB 4.42Å; Q131-L304 HydrophobicContact CG-CD2 4.4Å |
| 132 | I | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.7 | -40.2 | 175.5 | -61.2 | 178.9 | 0 | 0 | 0 | 111 | L127 T128 E129 V134 V135 C136 L225 L228 A229 W261 F265 F291 | L127-I132 HydrophobicContact CB-CD1 4.32Å; L127-I132 HydrophobicContact CB-CG1 3.68Å; T128-I132 WeakPolarHBondContact O-CG1 3.29Å; T128-I132 PolarHBondContact O-N 3.18Å; E129-I132 PolarHBondContact O-N 2.91Å; I132-V134 PolarHBondContact O-N 2.88Å; I132-V135 PolarHBondContact O-N 3.07Å; I132-C136 WeakPolarHBondContact O-CB 3.43Å; I132-C136 PolarHBondContact O-N 3.1Å; I132-L225 HydrophobicContact CG2-CD2 3.6Å; I132-L228 HydrophobicContact CD1-CB 4.21Å; I132-L228 HydrophobicContact CG1-CB 4.07Å; I132-A229 HydrophobicContact CD1-CB 3.87Å; I132-W261 HydrophobicContact CD1-CH2 4.01Å; I132-W261 HydrophobicContact CD1-CZ3 3.89Å; I132-F265 HydrophobicContact CD1-CE1 4.26Å; I132-F265 HydrophobicContact CD1-CZ 4.31Å; I132-F265 HydrophobicContact CG2-CE2 4.11Å; I132-F265 HydrophobicContact CG2-CZ 3.91Å; I132-F291 HydrophobicContact CG2-CE1 4.49Å; I132-F291 HydrophobicContact CG2-CZ 4.09Å |
| 133 | R | 97.7 | Very high | 95.1 | Very high | 42 Ų | 42 | 27.1 Ų | 27.1 | 16% | 0.158 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.4 | -46.2 | 175.6 | -79.7 | -172.6 | 176.7 | 79 | 5.9 | 113.2 | E129 P130 Q131 C136 K137 S262 F291 V295 | E129-R133 WeakPolarHBondContact O-CG 3.42Å; E129-R133 PolarHBondContact O-N 3.26Å; E129-R133 IonicContact OE1-CZ 3.81Å; E129-R133 IonicContact OE1-NH1 2.78Å; E129-R133 PolarHBondContact OE1-NH1 2.93Å; E129-R133 IonicContact OE1-NH2 2.71Å; E129-R133 PolarHBondContact OE1-NH2 2.94Å; P130-R133 PolarHBondContact O-N 3.46Å; Q131-R133 VanDerWaalsContact C-N 3.3Å; Q131-R133 PolarHBondContact O-N 3.13Å; R133-C136 PolarHBondContact O-N 2.93Å; R133-K137 PolarHBondContact O-N 2.9Å; R133-S262 PolarHBondContact NH2-OG 3.26Å; R133-F291 WeakPolarHBondContact CD-O 3.43Å; R133-F291 HydrophobicContact CG-CD2 3.9Å; R133-F291 HydrophobicContact CG-CE1 4.18Å; R133-F291 HydrophobicContact CG-CE2 3.48Å; R133-F291 VanDerWaalsContact CG-CE2 3.48Å; R133-F291 HydrophobicContact CG-CG 4.4Å; R133-F291 HydrophobicContact CG-CZ 3.64Å; R133-F291 VanDerWaalsContact CG-O 3.27Å; R133-F291 WeakPolarHBondContact CG-O 3.35Å; R133-F291 PolarHBondContact NE-O 2.86Å; R133-V295 HydrophobicContact CB-CG2 3.64Å |
| 134 | V | 97.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.1 | -48.3 | 179.6 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | P130 Q131 I132 C136 K137 Q138 V295 P300 L301 | P130-V134 WeakPolarHBondContact O-CG2 3.34Å; P130-V134 PolarHBondContact O-N 3.21Å; Q131-V134 PolarHBondContact O-N 2.97Å; I132-V134 PolarHBondContact O-N 2.88Å; V134-C136 VanDerWaalsContact C-N 3.34Å; V134-C136 PolarHBondContact O-N 3.31Å; V134-K137 PolarHBondContact O-N 3.38Å; V134-Q138 PolarHBondContact O-N 2.95Å; V134-Q138 VanDerWaalsContact O-N 3.1Å; V134-V295 HydrophobicContact CB-CG1 4.47Å; V134-V295 HydrophobicContact CG2-CG1 3.91Å; V134-P300 HydrophobicContact CG2-CB 4.35Å; V134-P300 HydrophobicContact CG2-CG 4.13Å; V134-L301 HydrophobicContact CB-CD1 3.84Å; V134-L301 HydrophobicContact CB-CG 3.94Å; V134-L301 HydrophobicContact CG1-CD1 3.45Å; V134-L301 VanDerWaalsContact CG1-CD1 3.45Å; V134-L301 HydrophobicContact CG1-CG 3.86Å |
| 135 | V | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59 | -47 | 177.2 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | L127 Q131 I132 K137 Q138 T139 I161 V169 L228 L301 | L127-V135 HydrophobicContact CD2-CG2 4.25Å; Q131-V135 PolarHBondContact O-N 2.68Å; Q131-V135 VanDerWaalsContact O-N 3.14Å; I132-V135 PolarHBondContact O-N 3.07Å; V135-K137 PolarHBondContact O-N 2.76Å; V135-Q138 PolarHBondContact O-N 2.83Å; V135-T139 VanDerWaalsContact O-CB 3.31Å; V135-T139 WeakPolarHBondContact O-CB 3.45Å; V135-T139 PolarHBondContact O-N 2.76Å; V135-T139 PolarHBondContact O-OG1 3.32Å; V135-I161 HydrophobicContact CG1-CD1 3.97Å; V135-I161 HydrophobicContact CG1-CG2 3.95Å; V135-V169 HydrophobicContact CB-CG2 4.32Å; V135-V169 HydrophobicContact CG1-CG2 4.18Å; V135-V169 HydrophobicContact CG2-CG2 4.23Å; V135-L228 HydrophobicContact CB-CD1 4.17Å; V135-L228 HydrophobicContact CG1-CD1 3.81Å; V135-L301 HydrophobicContact CG2-CD1 3.79Å; V135-L301 HydrophobicContact CG2-CD2 3.95Å |
| 136 | C | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56.3 | -49.4 | 179 | -174.6 | 0 | 0 | 0 | 0 | 112.1 | I132 R133 V134 L140 L225 F268 F291 V292 | I132-C136 WeakPolarHBondContact O-CB 3.43Å; I132-C136 PolarHBondContact O-N 3.1Å; R133-C136 PolarHBondContact O-N 2.93Å; V134-C136 VanDerWaalsContact C-N 3.34Å; V134-C136 PolarHBondContact O-N 3.31Å; C136-L140 WeakPolarHBondContact O-CB 3.37Å; C136-L140 WeakPolarHBondContact O-CG 3.43Å; C136-L140 PolarHBondContact O-N 3.39Å; C136-L225 HydrophobicContact CB-CD1 4.44Å; C136-L225 HydrophobicContact CB-CD2 3.72Å; C136-F268 WeakPolarHBondContact SG-CZ 3.49Å; C136-F291 HydrophobicContact CB-CE1 4.08Å; C136-V292 HydrophobicContact CB-CG1 3.9Å; C136-V292 VanDerWaalsContact SG-CG1 3.57Å |
| 137 | K | 97.9 | Very high | 96.7 | Very high | 54 Ų | 54 | 20.6 Ų | 20.6 | 24% | 0.235 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.4 | -51.2 | 179.8 | -177 | 179.2 | 169.1 | -167.4 | 0 | 112.1 | R133 V134 V135 T139 L140 E141 L287 V292 V295 | R133-K137 PolarHBondContact O-N 2.9Å; V134-K137 PolarHBondContact O-N 3.38Å; V135-K137 PolarHBondContact O-N 2.76Å; K137-T139 PolarHBondContact O-N 3.11Å; K137-L140 WeakPolarHBondContact O-CB 3.42Å; K137-L140 PolarHBondContact O-N 2.99Å; K137-E141 WeakPolarHBondContact CE-OE1 3.08Å; K137-E141 WeakPolarHBondContact O-CG 3.26Å; K137-E141 PolarHBondContact O-N 3.3Å; K137-L287 HydrophobicContact CG-CD2 4.42Å; K137-V292 HydrophobicContact CB-CB 4.07Å; K137-V292 HydrophobicContact CB-CG1 4.2Å; K137-V292 HydrophobicContact CG-CB 4.5Å; K137-V295 HydrophobicContact CD-CB 3.76Å; K137-V295 HydrophobicContact CD-CG1 4.04Å; K137-V295 PolarHBondContact NZ-O 2.73Å |
| 138 | Q | 97.7 | Very high | 96.5 | Very high | 23 Ų | 23 | 26.1 Ų | 26.1 | 11% | 0.107 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.4 | -34.5 | -174.1 | -65.9 | -176.5 | -21.8 | 0 | 0 | 112.1 | H90 V134 V135 E141 A142 V169 | H90-Q138 PolarHBondContact CE1-NE2 3.06Å; H90-Q138 WeakPolarHBondContact NE2-CG 3.47Å; V134-Q138 PolarHBondContact O-N 2.95Å; V134-Q138 VanDerWaalsContact O-N 3.1Å; V135-Q138 PolarHBondContact O-N 2.83Å; Q138-E141 PolarHBondContact O-N 3.4Å; Q138-A142 PolarHBondContact O-N 3.2Å; Q138-V169 HydrophobicContact CB-CB 3.75Å; Q138-V169 HydrophobicContact CB-CG1 4.49Å; Q138-V169 HydrophobicContact CB-CG2 4.03Å |
| 139 | T | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.6 | -38.8 | 170 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | V135 K137 E141 A142 L143 L156 L221 | V135-T139 VanDerWaalsContact O-CB 3.31Å; V135-T139 WeakPolarHBondContact O-CB 3.45Å; V135-T139 PolarHBondContact O-N 2.76Å; V135-T139 PolarHBondContact O-OG1 3.32Å; K137-T139 PolarHBondContact O-N 3.11Å; T139-E141 VanDerWaalsContact C-N 3.34Å; T139-E141 PolarHBondContact O-N 3.13Å; T139-A142 PolarHBondContact O-N 3.08Å; T139-L143 HydrophobicContact CG2-CD1 4.28Å; T139-L143 HydrophobicContact CG2-CG 4.39Å; T139-L143 WeakPolarHBondContact O-CB 3.46Å; T139-L143 WeakPolarHBondContact O-CG 3.45Å; T139-L143 PolarHBondContact O-N 3.07Å; T139-L156 HydrophobicContact CG2-CD1 4.06Å; T139-L156 HydrophobicContact CG2-CD2 4.13Å; T139-L221 HydrophobicContact CG2-CD1 3.95Å |
| 140 | L | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.3 | -37.3 | 173.5 | -78.1 | 169.9 | 0 | 0 | 0 | 112.9 | C136 K137 L143 T144 L221 F268 L286 L287 V292 | C136-L140 WeakPolarHBondContact O-CB 3.37Å; C136-L140 WeakPolarHBondContact O-CG 3.43Å; C136-L140 PolarHBondContact O-N 3.39Å; K137-L140 WeakPolarHBondContact O-CB 3.42Å; K137-L140 PolarHBondContact O-N 2.99Å; L140-L143 PolarHBondContact O-N 3.1Å; L140-T144 WeakPolarHBondContact O-CB 3.29Å; L140-T144 PolarHBondContact O-N 2.97Å; L140-T144 PolarHBondContact O-OG1 3.39Å; L140-L221 HydrophobicContact CD2-CD2 3.55Å; L140-L221 HydrophobicContact CG-CD2 3.86Å; L140-F268 HydrophobicContact CD1-CE2 4.01Å; L140-F268 HydrophobicContact CD1-CZ 3.89Å; L140-L286 HydrophobicContact CD1-CB 3.96Å; L140-L286 HydrophobicContact CD2-CB 3.72Å; L140-L286 HydrophobicContact CD2-CD1 4.15Å; L140-L287 HydrophobicContact CB-CD2 3.48Å; L140-L287 VanDerWaalsContact CB-CD2 3.48Å; L140-L287 HydrophobicContact CB-CG 3.85Å; L140-L287 HydrophobicContact CD1-CD2 4.02Å; L140-L287 HydrophobicContact CD1-CG 4.32Å; L140-L287 HydrophobicContact CG-CD2 4.42Å; L140-V292 HydrophobicContact CD1-CG1 4.28Å; L140-V292 HydrophobicContact CD1-CG2 4.18Å |
| 141 | E | 97.5 | Very high | 95.2 | Very high | 58 Ų | 58 | 28 Ų | 28 | 27% | 0.271 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -64.5 | -44.1 | 174.8 | -71.6 | 167.2 | 174.9 | 0 | 0 | 110.5 | H90 K137 Q138 T139 T144 Y145 L287 | H90-E141 IonicContact CD2-OE2 3.86Å; H90-E141 IonicContact NE2-OE2 3.49Å; K137-E141 WeakPolarHBondContact CE-OE1 3.08Å; K137-E141 WeakPolarHBondContact O-CG 3.26Å; K137-E141 PolarHBondContact O-N 3.3Å; Q138-E141 PolarHBondContact O-N 3.4Å; T139-E141 VanDerWaalsContact C-N 3.34Å; T139-E141 PolarHBondContact O-N 3.13Å; E141-T144 PolarHBondContact O-N 2.87Å; E141-Y145 PolarHBondContact O-N 3.24Å; E141-L287 HydrophobicContact CG-CD1 4.33Å; E141-L287 HydrophobicContact CG-CD2 3.81Å |
| 142 | A | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.1 | -45.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | H90 I91 Q138 T139 Y145 L146 L171 | H90-A142 HydrophobicContact CB-CB 3.98Å; H90-A142 WeakPolarHBondContact O-CB 3.37Å; I91-A142 HydrophobicContact CG1-CB 3.95Å; Q138-A142 PolarHBondContact O-N 3.2Å; T139-A142 PolarHBondContact O-N 3.08Å; A142-Y145 PolarHBondContact O-N 2.98Å; A142-L146 WeakPolarHBondContact O-CG 3.48Å; A142-L146 PolarHBondContact O-N 3.36Å; A142-L171 HydrophobicContact CB-CB 4.35Å; A142-L171 HydrophobicContact CB-CD2 4.2Å |
| 143 | L | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.6 | -39.1 | 177.3 | -71.8 | 177.3 | 0 | 0 | 0 | 112 | T139 L140 Y145 L146 H147 H153 L156 L171 D217 I218 L221 | T139-L143 HydrophobicContact CG2-CD1 4.28Å; T139-L143 HydrophobicContact CG2-CG 4.39Å; T139-L143 WeakPolarHBondContact O-CB 3.46Å; T139-L143 WeakPolarHBondContact O-CG 3.45Å; T139-L143 PolarHBondContact O-N 3.07Å; L140-L143 PolarHBondContact O-N 3.1Å; L143-Y145 PolarHBondContact O-N 2.86Å; L143-L146 HydrophobicContact CD2-CD1 4.46Å; L143-L146 PolarHBondContact O-N 2.76Å; L143-H147 VanDerWaalsContact O-CB 3.31Å; L143-H147 WeakPolarHBondContact O-CB 3.32Å; L143-H147 PolarHBondContact O-CD2 2.75Å; L143-H147 VanDerWaalsContact O-CD2 3.27Å; L143-H147 PolarHBondContact O-N 3.05Å; L143-H147 PolarHBondContact O-ND1 3.37Å; L143-H153 HydrophobicContact CD2-CB 4.46Å; L143-L156 HydrophobicContact CD1-CD2 3.93Å; L143-L156 HydrophobicContact CD2-CD2 4.46Å; L143-L171 HydrophobicContact CD2-CD2 4.34Å; L143-D217 HydrophobicContact CD1-CB 4.38Å; L143-D217 HydrophobicContact CD2-CB 3.82Å; L143-I218 HydrophobicContact CD1-CD1 4.27Å; L143-L221 HydrophobicContact CD1-CB 4.45Å; L143-L221 HydrophobicContact CD1-CD2 4.17Å |
| 144 | T | 96.4 | Very high | 93.8 | Very high | 16 Ų | 16 | 28.2 Ų | 28.2 | 10% | 0.098 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.6 | -48.9 | 175.4 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | L140 E141 L146 H147 E148 S283 L287 | L140-T144 WeakPolarHBondContact O-CB 3.29Å; L140-T144 PolarHBondContact O-N 2.97Å; L140-T144 PolarHBondContact O-OG1 3.39Å; E141-T144 PolarHBondContact O-N 2.87Å; T144-L146 PolarHBondContact O-N 3.13Å; T144-H147 PolarHBondContact O-N 3.41Å; T144-E148 WeakPolarHBondContact O-CB 3.49Å; T144-E148 WeakPolarHBondContact O-CG 3.46Å; T144-E148 PolarHBondContact O-N 2.91Å; T144-S283 WeakPolarHBondContact OG1-CB 3.47Å; T144-S283 PolarHBondContact OG1-OG 2.94Å; T144-L287 WeakPolarHBondContact OG1-CD1 3.49Å |
| 145 | Y | 96.1 | Very high | 93.3 | Very high | 46 Ų | 46 | 28.7 Ų | 28.7 | 18% | 0.18 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.3 | -45.2 | 175.7 | 175.4 | -88.9 | 0 | 0 | 0 | 112.7 | C86 N87 H88 I91 E141 A142 L143 N149 | C86-Y145 HydrophobicContact CB-CE1 4.16Å; N87-Y145 PolarHBondContact N-OH 2.72Å; H88-Y145 HydrophobicContact CB-CD1 3.75Å; H88-Y145 HydrophobicContact CB-CD2 4.1Å; H88-Y145 HydrophobicContact CB-CE1 3.92Å; H88-Y145 HydrophobicContact CB-CE2 4.25Å; H88-Y145 HydrophobicContact CB-CG 3.84Å; H88-Y145 AromaticContact CD2-CD2 3.93Å; H88-Y145 AromaticContact CD2-CG 3.97Å; H88-Y145 AromaticContact CG-CG 3.87Å; I91-Y145 HydrophobicContact CD1-CD1 3.64Å; I91-Y145 HydrophobicContact CD1-CE1 4.1Å; E141-Y145 PolarHBondContact O-N 3.24Å; A142-Y145 PolarHBondContact O-N 2.98Å; L143-Y145 PolarHBondContact O-N 2.86Å; Y145-N149 WeakPolarHBondContact O-CB 3.4Å; Y145-N149 PolarHBondContact O-N 3.11Å; Y145-N149 VanDerWaalsContact O-N 3.11Å; Y145-N149 PolarHBondContact O-ND2 2.98Å |
| 146 | L | 92.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.9 | -46.4 | 178.3 | -72.1 | 169.3 | 0 | 0 | 0 | 111.9 | I91 A142 L143 T144 E148 N149 K150 V151 L171 F174 | I91-L146 HydrophobicContact CD1-CD1 4.2Å; I91-L146 HydrophobicContact CD1-CD2 3.83Å; I91-L146 HydrophobicContact CD1-CG 3.77Å; A142-L146 WeakPolarHBondContact O-CG 3.48Å; A142-L146 PolarHBondContact O-N 3.36Å; L143-L146 HydrophobicContact CD2-CD1 4.46Å; L143-L146 PolarHBondContact O-N 2.76Å; T144-L146 PolarHBondContact O-N 3.13Å; L146-E148 PolarHBondContact O-N 2.95Å; L146-N149 CarbonylContact O-C 3.59Å; L146-N149 PolarHBondContact O-N 3.38Å; L146-K150 PolarHBondContact O-N 2.76Å; L146-V151 CarbonylContact C-O 3.53Å; L146-V151 HydrophobicContact CB-CB 4.21Å; L146-V151 HydrophobicContact CD2-CB 3.8Å; L146-V151 HydrophobicContact CD2-CG1 3.85Å; L146-V151 HydrophobicContact CD2-CG2 4.28Å; L146-V151 PolarHBondContact O-N 3.24Å; L146-L171 HydrophobicContact CD1-CD2 3.8Å; L146-F174 HydrophobicContact CD1-CE1 3.85Å; L146-F174 HydrophobicContact CD1-CZ 4.16Å; L146-F174 HydrophobicContact CD2-CE1 3.75Å; L146-F174 HydrophobicContact CD2-CZ 4.32Å; L146-F174 HydrophobicContact CG-CE1 4.49Å |
| 147 | H | 91.1 | Very high | 92.9 | Very high | 11 Ų | 11 | 30.7 Ų | 30.7 | 5% | 0.051 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.1 | -33.8 | -176.5 | -60.9 | 176.1 | 0 | 0 | 0 | 112.2 | L143 T144 K150 Y214 D217 S283 | L143-H147 VanDerWaalsContact O-CB 3.31Å; L143-H147 WeakPolarHBondContact O-CB 3.32Å; L143-H147 PolarHBondContact O-CD2 2.75Å; L143-H147 VanDerWaalsContact O-CD2 3.27Å; L143-H147 PolarHBondContact O-N 3.05Å; L143-H147 PolarHBondContact O-ND1 3.37Å; T144-H147 PolarHBondContact O-N 3.41Å; H147-K150 PolarHBondContact O-N 3.14Å; H147-K150 PolarHBondContact O-NZ 2.68Å; H147-Y214 HydrophobicContact CB-CD2 4.27Å; H147-Y214 HydrophobicContact CB-CG 4.18Å; H147-Y214 PolarHBondContact CE1-O 3.48Å; H147-Y214 AromaticContact ND1-CD2 3.67Å; H147-Y214 PolarHBondContact NE2-O 3.27Å; H147-D217 IonicContact CD2-OD2 3.61Å; H147-D217 IonicContact CE1-OD2 3.86Å; H147-D217 IonicContact NE2-OD2 3.29Å; H147-D217 PolarHBondContact NE2-OD2 3.29Å; H147-S283 PolarHBondContact ND1-OG 3.35Å |
| 148 | E | 91.3 | Very high | 92.7 | Very high | 120 Ų | 120 | 28.1 Ų | 28.1 | 56% | 0.561 | 13% | 0.13 | S | C | * | . | H | α-helix | trans | -61.7 | -49.6 | 168.8 | -75.5 | 176.9 | 178.7 | 0 | 0 | 111 | T144 L146 K150 | T144-E148 WeakPolarHBondContact O-CB 3.49Å; T144-E148 WeakPolarHBondContact O-CG 3.46Å; T144-E148 PolarHBondContact O-N 2.91Å; L146-E148 PolarHBondContact O-N 2.95Å; E148-K150 WeakPolarHBondContact O-CE 3.5Å; E148-K150 PolarHBondContact O-N 2.91Å; E148-K150 VanDerWaalsContact O-N 3.14Å; E148-K150 PolarHBondContact O-NZ 2.62Å |
| 149 | N | 88.9 | Confident | 92.3 | Very high | 86 Ų | 86 | 27.8 Ų | 27.8 | 46% | 0.46 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 9 | 176.9 | -71.1 | -74.4 | 0 | 0 | 0 | 115 | Y145 L146 V151 | Y145-N149 WeakPolarHBondContact O-CB 3.4Å; Y145-N149 PolarHBondContact O-N 3.11Å; Y145-N149 VanDerWaalsContact O-N 3.11Å; Y145-N149 PolarHBondContact O-ND2 2.98Å; L146-N149 CarbonylContact O-C 3.59Å; L146-N149 PolarHBondContact O-N 3.38Å; N149-V151 VanDerWaalsContact C-N 3.26Å; N149-V151 PolarHBondContact O-N 2.73Å |
| 150 | K | 86.6 | Confident | 92.1 | Very high | 113 Ų | 113 | 28.5 Ų | 28.5 | 49% | 0.491 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 28.5 | 177.6 | -47 | -61.2 | 154.8 | -130.9 | 0 | 114.4 | L146 H147 E148 N180 | L146-K150 PolarHBondContact O-N 2.76Å; H147-K150 PolarHBondContact O-N 3.14Å; H147-K150 PolarHBondContact O-NZ 2.68Å; E148-K150 WeakPolarHBondContact O-CE 3.5Å; E148-K150 PolarHBondContact O-N 2.91Å; E148-K150 VanDerWaalsContact O-N 3.14Å; E148-K150 PolarHBondContact O-NZ 2.62Å; K150-N180 HydrophobicContact CB-CB 4.3Å; K150-N180 PolarHBondContact O-N 3.37Å |
| 151 | V | 86.9 | Confident | 92 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 139.5 | 168.6 | -171.8 | 0 | 0 | 0 | 0 | 109.3 | I82 L146 N149 A178 K179 | I82-V151 HydrophobicContact CD1-CG1 4.1Å; I82-V151 HydrophobicContact CG1-CG1 4.4Å; I82-V151 HydrophobicContact CG2-CG1 3.98Å; L146-V151 CarbonylContact C-O 3.53Å; L146-V151 HydrophobicContact CB-CB 4.21Å; L146-V151 HydrophobicContact CD2-CB 3.8Å; L146-V151 HydrophobicContact CD2-CG1 3.85Å; L146-V151 HydrophobicContact CD2-CG2 4.28Å; L146-V151 PolarHBondContact O-N 3.24Å; N149-V151 VanDerWaalsContact C-N 3.26Å; N149-V151 PolarHBondContact O-N 2.73Å; V151-A178 WeakPolarHBondContact CA-O 3.36Å; V151-K179 HydrophobicContact CG2-CG 4.4Å |
| 152 | I | 87 | Confident | 92 | Very high | 6 Ų | 6 | 27.3 Ų | 27.3 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 130.1 | 170.1 | -50.5 | 176.6 | 0 | 0 | 0 | 107.4 | R154 S177 A178 D217 | I152-R154 HydrophobicContact CB-CG 4.21Å; I152-R154 HydrophobicContact CG2-CG 3.76Å; I152-S177 VanDerWaalsContact O-CA 3.31Å; I152-S177 WeakPolarHBondContact O-CA 2.77Å; I152-S177 VanDerWaalsContact O-CB 3.25Å; I152-S177 WeakPolarHBondContact O-CB 3.44Å; I152-A178 PolarHBondContact N-O 3.24Å; I152-A178 PolarHBondContact O-N 2.95Å; I152-D217 WeakPolarHBondContact CG2-OD1 3.48Å; I152-D217 WeakPolarHBondContact CG2-OD2 3.42Å |
| 153 | H | 89.7 | Confident | 91.9 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -73.4 | -45.8 | -172.5 | -172.2 | -85 | 0 | 0 | 0 | 112.3 | L143 D155 L156 N160 A172 D173 F174 S177 D217 | L143-H153 HydrophobicContact CD2-CB 4.46Å; H153-D155 PolarHBondContact CE1-O 3.2Å; H153-D155 PolarHBondContact ND1-N 3.14Å; H153-D155 PolarHBondContact O-N 2.89Å; H153-L156 PolarHBondContact ND1-N 3.01Å; H153-N160 PolarHBondContact CE1-ND2 2.88Å; H153-A172 PolarHBondContact CE1-O 3.03Å; H153-A172 VanDerWaalsContact CE1-O 3.25Å; H153-A172 PolarHBondContact NE2-O 3Å; H153-D173 PolarHBondContact CE1-O 3.31Å; H153-D173 PolarHBondContact NE2-O 3.43Å; H153-F174 AromaticContact CD2-CD1 3.93Å; H153-F174 AromaticContact CD2-CE1 3.6Å; H153-F174 AromaticContact CD2-CZ 3.84Å; H153-F174 AromaticContact NE2-CD2 3.83Å; H153-F174 AromaticContact NE2-CE2 3.75Å; H153-F174 AromaticContact NE2-CZ 3.97Å; H153-S177 WeakPolarHBondContact O-CA 3.27Å; H153-S177 PolarHBondContact O-OG 3.36Å; H153-D217 PolarHBondContact N-OD1 2.9Å; H153-D217 PolarHBondContact N-OD2 2.74Å | ||
| 154 | R | 86.9 | Confident | 91.8 | Very high | 55 Ų | 55 | 28.1 Ų | 28.1 | 21% | 0.208 | 14% | 0.137 | C | C | . | . | trans | 70.3 | -14.7 | 173.9 | -58.3 | 171.3 | 164.7 | -165.1 | -8.5 | 117.7 | I152 V176 Y212 D217 | I152-R154 HydrophobicContact CB-CG 4.21Å; I152-R154 HydrophobicContact CG2-CG 3.76Å; R154-V176 HydrophobicContact CB-CG2 4.37Å; R154-V176 WeakPolarHBondContact CD-O 3.29Å; R154-Y212 HydrophobicContact CG-CE2 4.26Å; R154-Y212 PolarHBondContact NE-OH 3.03Å; R154-Y212 PolarHBondContact NH1-OH 3.14Å; R154-Y212 PolarHBondContact NH2-OH 3.25Å; R154-D217 PolarHBondContact N-OD1 3.04Å | ||
| 155 | D | 87.7 | Confident | 91.5 | Very high | 12 Ų | 12 | 32 Ų | 32 | 6% | 0.064 | 16% | 0.156 | C | C | . | . | trans | -137.5 | 58.2 | 176.6 | -164.7 | 52.7 | 0 | 0 | 0 | 112.1 | H153 K157 N160 V176 T193 | H153-D155 PolarHBondContact CE1-O 3.2Å; H153-D155 PolarHBondContact ND1-N 3.14Å; H153-D155 PolarHBondContact O-N 2.89Å; D155-K157 IonicContact OD1-NZ 3.48Å; D155-K157 WeakPolarHBondContact OD2-CE 3.29Å; D155-K157 IonicContact OD2-NZ 2.8Å; D155-K157 PolarHBondContact OD2-NZ 3.16Å; D155-N160 PolarHBondContact O-ND2 3.37Å; D155-N160 PolarHBondContact OD2-ND2 2.81Å; D155-V176 HydrophobicContact CB-CG2 3.65Å; D155-T193 VanDerWaalsContact OD1-CB 3.32Å; D155-T193 WeakPolarHBondContact OD1-CB 3.3Å; D155-T193 PolarHBondContact OD1-N 2.82Å; D155-T193 PolarHBondContact OD1-OG1 3.44Å | ||
| 156 | L | 92.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -85.6 | 116.6 | 178.7 | -176.6 | 63.5 | 0 | 0 | 0 | 111.1 | T139 L143 H153 I161 L171 L221 T224 | T139-L156 HydrophobicContact CG2-CD1 4.06Å; T139-L156 HydrophobicContact CG2-CD2 4.13Å; L143-L156 HydrophobicContact CD1-CD2 3.93Å; L143-L156 HydrophobicContact CD2-CD2 4.46Å; H153-L156 PolarHBondContact ND1-N 3.01Å; L156-I161 HydrophobicContact CD1-CD1 4.3Å; L156-I161 HydrophobicContact CD1-CG1 4.23Å; L156-L171 HydrophobicContact CD1-CD1 3.52Å; L156-L221 HydrophobicContact CD2-CB 3.7Å; L156-L221 HydrophobicContact CD2-CD1 4.28Å; L156-T224 PolarHBondContact O-OG1 2.85Å; L156-T224 VanDerWaalsContact O-OG1 3.14Å | ||
| 157 | K | 93.9 | Very high | 91.3 | Very high | 43 Ų | 43 | 34.4 Ų | 34.4 | 19% | 0.187 | 17% | 0.172 | C | C | . | . | trans | -154 | 164.7 | -178.4 | 67.2 | -156.1 | -172.8 | -157.5 | 0 | 110.2 | D155 G159 N160 T193 W196 T224 | D155-K157 IonicContact OD1-NZ 3.48Å; D155-K157 WeakPolarHBondContact OD2-CE 3.29Å; D155-K157 IonicContact OD2-NZ 2.8Å; D155-K157 PolarHBondContact OD2-NZ 3.16Å; K157-G159 VanDerWaalsContact C-N 3.27Å; K157-G159 PolarHBondContact O-N 3.47Å; K157-N160 WeakPolarHBondContact CE-ND2 3.25Å; K157-N160 WeakPolarHBondContact CE-OD1 3.46Å; K157-N160 HydrophobicContact CG-CB 4.2Å; K157-N160 PolarHBondContact O-N 2.97Å; K157-T193 PolarHBondContact NZ-OG1 2.74Å; K157-W196 HydrophobicContact CB-CD2 3.99Å; K157-W196 HydrophobicContact CB-CG 4.19Å; K157-W196 HydrophobicContact CB-CZ2 3.9Å; K157-T224 WeakPolarHBondContact CA-OG1 3.36Å | ||
| 158 | A | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -61.8 | -31 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V116 D117 M120 N160 I161 T224 E227 L228 | V116-A158 PolarHBondContact N-O 3.05Å; D117-A158 HydrophobicContact CB-CB 4.22Å; M120-A158 HydrophobicContact CE-CB 4.12Å; A158-N160 VanDerWaalsContact C-N 3.27Å; A158-N160 PolarHBondContact O-N 3.44Å; A158-I161 PolarHBondContact O-N 3.23Å; A158-T224 HydrophobicContact CB-CG2 4.43Å; A158-E227 HydrophobicContact CB-CG 4.01Å; A158-E227 WeakPolarHBondContact CB-OE1 3.44Å; A158-E227 PolarHBondContact N-OE1 3.45Å; A158-E227 PolarHBondContact N-OE2 2.89Å; A158-L228 HydrophobicContact CB-CD2 3.66Å |
| 159 | G | 90.1 | Very high | 91.8 | Very high | 16 Ų | 16 | 30.7 Ų | 30.7 | 17% | 0.165 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -66.8 | -21.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D117 K157 | D117-G159 WeakPolarHBondContact OD1-CA 3.33Å; D117-G159 WeakPolarHBondContact OD2-CA 3.46Å; K157-G159 VanDerWaalsContact C-N 3.27Å; K157-G159 PolarHBondContact O-N 3.47Å |
| 160 | N | 93.7 | Very high | 92.2 | Very high | 15 Ų | 15 | 27.3 Ų | 27.3 | 8% | 0.08 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -95.1 | 4.5 | 177.1 | -68.8 | 1.2 | 0 | 0 | 0 | 112.3 | H153 D155 K157 A158 A172 | H153-N160 PolarHBondContact CE1-ND2 2.88Å; D155-N160 PolarHBondContact O-ND2 3.37Å; D155-N160 PolarHBondContact OD2-ND2 2.81Å; K157-N160 WeakPolarHBondContact CE-ND2 3.25Å; K157-N160 WeakPolarHBondContact CE-OD1 3.46Å; K157-N160 HydrophobicContact CG-CB 4.2Å; K157-N160 PolarHBondContact O-N 2.97Å; A158-N160 VanDerWaalsContact C-N 3.27Å; A158-N160 PolarHBondContact O-N 3.44Å; N160-A172 PolarHBondContact O-N 3.08Å |
| 161 | I | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 108.9 | 172 | -61.5 | 179.2 | 0 | 0 | 0 | 107.5 | A115 V116 V135 L156 A158 V169 T224 | A115-I161 WeakPolarHBondContact CA-O 3.45Å; V116-I161 HydrophobicContact CG2-CB 4.24Å; V116-I161 HydrophobicContact CG2-CG2 3.75Å; V116-I161 WeakPolarHBondContact CG2-O 3.32Å; V116-I161 PolarHBondContact N-O 2.77Å; V135-I161 HydrophobicContact CG1-CD1 3.97Å; V135-I161 HydrophobicContact CG1-CG2 3.95Å; L156-I161 HydrophobicContact CD1-CD1 4.3Å; L156-I161 HydrophobicContact CD1-CG1 4.23Å; A158-I161 PolarHBondContact O-N 3.23Å; I161-V169 HydrophobicContact CG2-CG1 3.89Å; I161-V169 HydrophobicContact CG2-CG2 4.15Å; I161-T224 HydrophobicContact CD1-CG2 3.81Å |
| 162 | L | 96.3 | Very high | 92.8 | Very high | 33 Ų | 33 | 22.1 Ų | 22.1 | 17% | 0.173 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 157.3 | 177 | -47.2 | -177.7 | 0 | 0 | 0 | 110.7 | V92 C111 G114 A115 V169 K170 A172 | V92-L162 HydrophobicContact CG1-CD1 4.11Å; C111-L162 HydrophobicContact CB-CB 3.53Å; C111-L162 HydrophobicContact CB-CD1 3.86Å; C111-L162 HydrophobicContact CB-CG 4.34Å; G114-L162 CarbonylContact O-C 3.54Å; G114-L162 WeakPolarHBondContact O-CA 3.33Å; A115-L162 HydrophobicContact CB-CD2 3.61Å; L162-V169 CarbonylContact O-C 3.44Å; L162-V169 WeakPolarHBondContact O-CA 3.32Å; L162-K170 HydrophobicContact CB-CB 4.29Å; L162-K170 PolarHBondContact N-O 3.21Å; L162-K170 PolarHBondContact O-N 3.49Å; L162-A172 HydrophobicContact CD1-CB 3.74Å; L162-A172 HydrophobicContact CG-CB 3.88Å |
| 163 | L | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 142.1 | 176.8 | -57.5 | -175.9 | 0 | 0 | 0 | 113.2 | C111 G113 G114 V116 I119 E168 V169 L301 I305 | C111-L163 CarbonylContact C-O 3.53Å; G113-L163 WeakPolarHBondContact CA-O 3.28Å; G113-L163 PolarHBondContact N-O 3.22Å; G114-L163 PolarHBondContact O-N 3.04Å; V116-L163 HydrophobicContact CG2-CD1 4.11Å; V116-L163 HydrophobicContact CG2-CD2 4.06Å; V116-L163 HydrophobicContact CG2-CG 3.92Å; I119-L163 HydrophobicContact CD1-CD1 3.67Å; I119-L163 HydrophobicContact CD1-CG 4.36Å; L163-E168 CarbonylContact C-O 3.53Å; L163-E168 WeakPolarHBondContact CA-O 3.41Å; L163-V169 HydrophobicContact CD2-CG2 3.8Å; L163-L301 HydrophobicContact CD2-CD1 4.09Å; L163-I305 HydrophobicContact CB-CD1 3.72Å; L163-I305 HydrophobicContact CB-CG1 4.42Å; L163-I305 HydrophobicContact CD1-CD1 3.74Å; L163-I305 HydrophobicContact CD1-CG1 3.81Å; L163-I305 HydrophobicContact CG-CD1 4.37Å |
| 164 | S | 93.8 | Very high | 92.2 | Very high | 16 Ų | 16 | 23.8 Ų | 23.8 | 11% | 0.112 | 12% | 0.124 | C | C | . | . | trans | -79.5 | 162.6 | 162.6 | 82.7 | 0 | 0 | 0 | 0 | 111 | D166 G167 E168 I305 | S164-D166 PolarHBondContact O-N 3.3Å; S164-D166 PolarHBondContact OG-N 3.41Å; S164-G167 PolarHBondContact O-N 3.41Å; S164-G167 VanDerWaalsContact O-N 3.16Å; S164-E168 PolarHBondContact N-O 2.92Å; S164-E168 VanDerWaalsContact OG-CB 3.26Å; S164-E168 WeakPolarHBondContact OG-CB 3.46Å; S164-E168 WeakPolarHBondContact OG-CG 3.25Å; S164-E168 PolarHBondContact OG-N 3.46Å; S164-E168 PolarHBondContact OG-OE2 3.18Å; S164-I305 WeakPolarHBondContact O-CD1 3.32Å | ||
| 165 | L | 90.3 | Very high | 91.1 | Very high | 97 Ų | 97 | 21.5 Ų | 21.5 | 51% | 0.508 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -28 | 176.3 | -83.7 | 169.2 | 0 | 0 | 0 | 112.8 | A112 G167 I305 K309 | A112-L165 HydrophobicContact CB-CD1 4.22Å; A112-L165 HydrophobicContact CB-CG 4.12Å; L165-G167 PolarHBondContact O-N 3.03Å; L165-I305 HydrophobicContact CD2-CG2 4.26Å; L165-K309 HydrophobicContact CD2-CD 4.43Å; L165-K309 VanDerWaalsContact CD2-NZ 3.33Å |
| 166 | D | 91.1 | Very high | 90 | Very high | 97 Ų | 97 | 22.3 Ų | 22.3 | 52% | 0.519 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 3 | -179.1 | -55.1 | -81.6 | 0 | 0 | 0 | 113.2 | S164 E168 S298 R302 | S164-D166 PolarHBondContact O-N 3.3Å; S164-D166 PolarHBondContact OG-N 3.41Å; D166-E168 HydrophobicContact CB-CG 4.37Å; D166-S298 PolarHBondContact O-OG 3.09Å; D166-R302 VanDerWaalsContact C-CG 3.42Å; D166-R302 WeakPolarHBondContact O-CD 3.46Å; D166-R302 WeakPolarHBondContact O-CG 3.47Å |
| 167 | G | 92.4 | Very high | 89 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 83.9 | 23.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S164 L165 S298 L301 | S164-G167 PolarHBondContact O-N 3.41Å; S164-G167 VanDerWaalsContact O-N 3.16Å; L165-G167 PolarHBondContact O-N 3.03Å; G167-S298 WeakPolarHBondContact O-CB 3.26Å; G167-L301 WeakPolarHBondContact O-CD1 3.36Å |
| 168 | E | 95.4 | Very high | 87.5 | Confident | 54 Ų | 54 | 20.7 Ų | 20.7 | 25% | 0.252 | 12% | 0.117 | S | C | . | . | trans | -95.3 | 132.9 | -179.5 | -48.4 | 162.1 | 150.4 | 0 | 0 | 110.4 | H89 L163 S164 D166 | H89-E168 IonicContact CE1-OE1 2.76Å; H89-E168 PolarHBondContact CE1-OE1 2.93Å; H89-E168 IonicContact CE1-OE2 3.55Å; H89-E168 IonicContact NE2-OE1 2.76Å; H89-E168 PolarHBondContact NE2-OE1 3.47Å; L163-E168 CarbonylContact C-O 3.53Å; L163-E168 WeakPolarHBondContact CA-O 3.41Å; S164-E168 PolarHBondContact N-O 2.92Å; S164-E168 VanDerWaalsContact OG-CB 3.26Å; S164-E168 WeakPolarHBondContact OG-CB 3.46Å; S164-E168 WeakPolarHBondContact OG-CG 3.25Å; S164-E168 PolarHBondContact OG-N 3.46Å; S164-E168 PolarHBondContact OG-OE2 3.18Å; D166-E168 HydrophobicContact CB-CG 4.37Å | ||
| 169 | V | 97.3 | Very high | 86 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 142.7 | 170.7 | 165.9 | 0 | 0 | 0 | 0 | 111.3 | H90 V135 Q138 I161 L162 L163 L301 | H90-V169 VanDerWaalsContact CA-O 3.29Å; H90-V169 WeakPolarHBondContact CA-O 3.32Å; H90-V169 PolarHBondContact ND1-O 2.78Å; V135-V169 HydrophobicContact CB-CG2 4.32Å; V135-V169 HydrophobicContact CG1-CG2 4.18Å; V135-V169 HydrophobicContact CG2-CG2 4.23Å; Q138-V169 HydrophobicContact CB-CB 3.75Å; Q138-V169 HydrophobicContact CB-CG1 4.49Å; Q138-V169 HydrophobicContact CB-CG2 4.03Å; I161-V169 HydrophobicContact CG2-CG1 3.89Å; I161-V169 HydrophobicContact CG2-CG2 4.15Å; L162-V169 CarbonylContact O-C 3.44Å; L162-V169 WeakPolarHBondContact O-CA 3.32Å; L163-V169 HydrophobicContact CD2-CG2 3.8Å; V169-L301 HydrophobicContact CG2-CD1 4.45Å |
| 170 | K | 96.9 | Very high | 84.5 | Confident | 14 Ų | 14 | 26.6 Ų | 26.6 | 6% | 0.061 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 109 | 169.4 | -63.7 | -64.1 | -164.4 | 151.1 | 0 | 109.1 | H89 V92 E109 C111 L162 | H89-K170 WeakPolarHBondContact O-CD 3.44Å; H89-K170 VanDerWaalsContact O-CE 3.24Å; H89-K170 WeakPolarHBondContact O-CE 3.34Å; H89-K170 PolarHBondContact O-NZ 3.14Å; V92-K170 HydrophobicContact CG1-CB 3.9Å; E109-K170 VanDerWaalsContact OE1-CD 3.31Å; E109-K170 WeakPolarHBondContact OE1-CD 3.34Å; E109-K170 WeakPolarHBondContact OE1-CE 3.44Å; E109-K170 IonicContact OE1-NZ 2.68Å; E109-K170 PolarHBondContact OE1-NZ 3.07Å; E109-K170 IonicContact OE2-NZ 2.62Å; E109-K170 PolarHBondContact OE2-NZ 3.29Å; C111-K170 VanDerWaalsContact SG-CB 3.59Å; L162-K170 HydrophobicContact CB-CB 4.29Å; L162-K170 PolarHBondContact N-O 3.21Å; L162-K170 PolarHBondContact O-N 3.49Å |
| 171 | L | 95.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 132.2 | 175.3 | -178.9 | 58 | 0 | 0 | 0 | 110.4 | H90 V92 A142 L143 L146 L156 F174 | H90-L171 PolarHBondContact O-N 3.02Å; V92-L171 PolarHBondContact N-O 3.03Å; A142-L171 HydrophobicContact CB-CB 4.35Å; A142-L171 HydrophobicContact CB-CD2 4.2Å; L143-L171 HydrophobicContact CD2-CD2 4.34Å; L146-L171 HydrophobicContact CD1-CD2 3.8Å; L156-L171 HydrophobicContact CD1-CD1 3.52Å; L171-F174 HydrophobicContact CG-CZ 4.37Å |
| 172 | A | 91.4 | Very high | 79.7 | Confident | 6 Ų | 6 | 37.6 Ų | 37.6 | 5% | 0.05 | 21% | 0.205 | C | C | . | . | trans | -133.6 | 177.8 | -170 | 0 | 0 | 0 | 0 | 0 | 113.7 | V92 H153 N160 L162 | V92-A172 HydrophobicContact CG1-CB 3.76Å; V92-A172 HydrophobicContact CG2-CB 4.06Å; H153-A172 PolarHBondContact CE1-O 3.03Å; H153-A172 VanDerWaalsContact CE1-O 3.25Å; H153-A172 PolarHBondContact NE2-O 3Å; N160-A172 PolarHBondContact O-N 3.08Å; L162-A172 HydrophobicContact CD1-CB 3.74Å; L162-A172 HydrophobicContact CG-CB 3.88Å | ||
| 173 | D | 83.2 | Confident | 77.1 | Confident | 40 Ų | 40 | 41.3 Ų | 41.3 | 21% | 0.214 | 23% | 0.229 | C | C | . | . | trans | 52.2 | 89.9 | -178.6 | -161.2 | 25.9 | 0 | 0 | 0 | 115 | K63 H153 | K63-D173 IonicContact NZ-OD1 2.7Å; K63-D173 PolarHBondContact NZ-OD1 3.08Å; H153-D173 PolarHBondContact CE1-O 3.31Å; H153-D173 PolarHBondContact NE2-O 3.43Å | ||
| 174 | F | 79.8 | Confident | 74.3 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | trans | -101.4 | 14.3 | -178 | -70.5 | -101.6 | 0 | 0 | 0 | 112.7 | E79 I82 L83 I91 V92 L146 H153 L171 V176 S177 | E79-F174 HydrophobicContact CG-CB 4.12Å; E79-F174 PolarHBondContact OE1-N 2.74Å; I82-F174 HydrophobicContact CG2-CB 4.29Å; I82-F174 HydrophobicContact CG2-CD1 3.61Å; I82-F174 HydrophobicContact CG2-CE1 4.16Å; I82-F174 HydrophobicContact CG2-CG 4.1Å; L83-F174 HydrophobicContact CD2-CD2 3.53Å; L83-F174 HydrophobicContact CD2-CE2 3.8Å; L83-F174 HydrophobicContact CD2-CG 4.26Å; L83-F174 HydrophobicContact CG-CD2 4.27Å; I91-F174 HydrophobicContact CG2-CE2 3.89Å; I91-F174 HydrophobicContact CG2-CZ 3.73Å; V92-F174 HydrophobicContact CG2-CE2 4.49Å; L146-F174 HydrophobicContact CD1-CE1 3.85Å; L146-F174 HydrophobicContact CD1-CZ 4.16Å; L146-F174 HydrophobicContact CD2-CE1 3.75Å; L146-F174 HydrophobicContact CD2-CZ 4.32Å; L146-F174 HydrophobicContact CG-CE1 4.49Å; H153-F174 AromaticContact CD2-CD1 3.93Å; H153-F174 AromaticContact CD2-CE1 3.6Å; H153-F174 AromaticContact CD2-CZ 3.84Å; H153-F174 AromaticContact NE2-CD2 3.83Å; H153-F174 AromaticContact NE2-CE2 3.75Å; H153-F174 AromaticContact NE2-CZ 3.97Å; L171-F174 HydrophobicContact CG-CZ 4.37Å; F174-V176 PolarHBondContact O-N 3.43Å; F174-V176 VanDerWaalsContact O-N 3.09Å; F174-S177 WeakPolarHBondContact CA-OG 3.48Å; F174-S177 WeakPolarHBondContact CD1-OG 3.49Å; F174-S177 WeakPolarHBondContact O-CB 3.21Å; F174-S177 PolarHBondContact O-N 3.06Å; F174-S177 PolarHBondContact O-OG 3.38Å | ||
| 175 | G | 64.9 | Low | 71.9 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | R187 | G175-R187 PolarHBondContact O-NH1 2.81Š|
| 176 | V | 64.6 | Low | 69.5 | Low | 29 Ų | 29 | 55.4 Ų | 55.4 | 18% | 0.176 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 0.9 | 175.1 | -61.1 | 0 | 0 | 0 | 0 | 114 | F45 R154 D155 F174 I191 | F45-V176 HydrophobicContact CZ-CG1 4.47Å; R154-V176 HydrophobicContact CB-CG2 4.37Å; R154-V176 WeakPolarHBondContact CD-O 3.29Å; D155-V176 HydrophobicContact CB-CG2 3.65Å; F174-V176 PolarHBondContact O-N 3.43Å; F174-V176 VanDerWaalsContact O-N 3.09Å; V176-I191 HydrophobicContact CB-CG2 4.2Å |
| 177 | S | 70.7 | Confident | 67.3 | Low | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | trans | -67.5 | 160.5 | 177.1 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | I152 H153 F174 | I152-S177 VanDerWaalsContact O-CA 3.31Å; I152-S177 WeakPolarHBondContact O-CA 2.77Å; I152-S177 VanDerWaalsContact O-CB 3.25Å; I152-S177 WeakPolarHBondContact O-CB 3.44Å; H153-S177 WeakPolarHBondContact O-CA 3.27Å; H153-S177 PolarHBondContact O-OG 3.36Å; F174-S177 WeakPolarHBondContact CA-OG 3.48Å; F174-S177 WeakPolarHBondContact CD1-OG 3.49Å; F174-S177 WeakPolarHBondContact O-CB 3.21Å; F174-S177 PolarHBondContact O-N 3.06Å; F174-S177 PolarHBondContact O-OG 3.38Å | ||
| 178 | A | 63.8 | Low | 64.5 | Low | 6 Ų | 6 | 62.7 Ų | 62.7 | 5% | 0.05 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 147.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | V151 I152 | V151-A178 WeakPolarHBondContact CA-O 3.36Å; I152-A178 PolarHBondContact N-O 3.24Å; I152-A178 PolarHBondContact O-N 2.95Å |
| 179 | K | 60.8 | Low | 62.2 | Low | 64 Ų | 64 | 63.7 Ų | 63.7 | 28% | 0.278 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 121.3 | 167.1 | -61.4 | -171.3 | 179.9 | -175.2 | 0 | 108.9 | D81 I82 S85 V151 T181 | D81-K179 PolarHBondContact O-NZ 2.81Å; I82-K179 HydrophobicContact CD1-CG 4.31Å; I82-K179 HydrophobicContact CG1-CD 4.22Å; I82-K179 VanDerWaalsContact CG1-CE 3.41Å; I82-K179 HydrophobicContact CG1-CG 3.81Å; S85-K179 PolarHBondContact OG-NZ 3.48Å; V151-K179 HydrophobicContact CG2-CG 4.4Å; K179-T181 PolarHBondContact O-N 3.27Å |
| 180 | N | 58.3 | Low | 60 | Low | 75 Ų | 75 | 67.8 Ų | 67.8 | 40% | 0.401 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 38 | -175.2 | -159.5 | 9.8 | 0 | 0 | 0 | 113.1 | K150 | K150-N180 HydrophobicContact CB-CB 4.3Å; K150-N180 PolarHBondContact O-N 3.37Å |
| 181 | T | 48 | Very low | 58.4 | Low | 109 Ų | 109 | 68.5 Ų | 68.5 | 67% | 0.669 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -18.3 | -178.1 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | K179 | K179-T181 PolarHBondContact O-N 3.27Š|
| 182 | N | 42.2 | Very low | 56.7 | Low | 137 Ų | 137 | 69.3 Ų | 69.3 | 73% | 0.733 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -146.8 | 129.5 | 164.3 | -86.4 | -62.5 | 0 | 0 | 0 | 109.2 | L184 | N182-L184 PolarHBondContact O-N 3.42Š|
| 183 | T | 41 | Very low | 56 | Low | 111 Ų | 111 | 70.7 Ų | 70.7 | 68% | 0.681 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -76.7 | 27.5 | -170.5 | 36.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 184 | L | 38.9 | Very low | 56 | Low | 115 Ų | 115 | 69.5 Ų | 69.5 | 60% | 0.602 | 36% | 0.364 | S | S | * | . | trans | -136.2 | 44.1 | -170 | -73.4 | 175.6 | 0 | 0 | 0 | 114.6 | N182 R186 | N182-L184 PolarHBondContact O-N 3.42Å; L184-R186 VanDerWaalsContact C-N 3.34Å; L184-R186 VanDerWaalsContact CD2-CZ 3.45Å; L184-R186 PolarHBondContact O-N 2.7Å | ||
| 185 | Q | 43.3 | Very low | 56.4 | Low | 92 Ų | 92 | 71.4 Ų | 71.4 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | trans | -86.2 | 80.3 | 154.7 | -75.1 | -177.9 | -33.8 | 0 | 0 | 109.3 | V78 | V78-Q185 VanDerWaalsContact CG2-NE2 3.3Š| ||
| 186 | R | 40.3 | Very low | 57.7 | Low | 202 Ų | 202 | 72.3 Ų | 72.3 | 76% | 0.762 | 37% | 0.372 | S | S | * | . | trans | -85.5 | 114.7 | 168.5 | -67.6 | -175.7 | -176.2 | 131.4 | 0.9 | 108.8 | L184 | L184-R186 VanDerWaalsContact C-N 3.34Å; L184-R186 VanDerWaalsContact CD2-CZ 3.45Å; L184-R186 PolarHBondContact O-N 2.7Å | ||
| 187 | R | 44.9 | Very low | 58.9 | Low | 78 Ų | 78 | 71.3 Ų | 71.3 | 29% | 0.294 | 37% | 0.366 | S | S | . | . | trans | -105 | 132.6 | 155.1 | -69.1 | 179.2 | 172.6 | 149.9 | 2.4 | 106.3 | D75 G175 S189 | D75-R187 PolarHBondContact O-NH2 2.9Å; D75-R187 IonicContact OD1-CZ 2.76Å; D75-R187 IonicContact OD1-NE 2.79Å; D75-R187 PolarHBondContact OD1-NE 2.79Å; D75-R187 IonicContact OD1-NH2 3.22Å; D75-R187 PolarHBondContact OD1-NH2 3.47Å; G175-R187 PolarHBondContact O-NH1 2.81Å; R187-S189 PolarHBondContact O-N 2.76Å | ||
| 188 | D | 32.2 | Very low | 59.8 | Low | 173 Ų | 173 | 71.2 Ų | 71.2 | 93% | 0.925 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -80.4 | 8.4 | 176.9 | -68 | -44.6 | 0 | 0 | 0 | 112.5 | ||
| 189 | S | 48.1 | Very low | 60.9 | Low | 74 Ų | 74 | 71 Ų | 71 | 52% | 0.517 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -96.7 | 133.4 | 170.2 | 59 | 0 | 0 | 0 | 0 | 111.3 | R187 I191 | R187-S189 PolarHBondContact O-N 2.76Å; S189-I191 WeakPolarHBondContact O-CG1 3.36Å |
| 190 | F | 51.1 | Low | 62 | Low | 86 Ų | 86 | 68.9 Ų | 68.9 | 38% | 0.377 | 36% | 0.355 | S | S | . | . | trans | -41.8 | 129.8 | 170.7 | 179.3 | -93.7 | 0 | 0 | 0 | 113.5 | G192 P194 M197 E205 M241 L244 | F190-G192 WeakPolarHBondContact CE1-O 3.42Å; F190-P194 HydrophobicContact CE1-CB 4.47Å; F190-P194 HydrophobicContact CE1-CG 3.73Å; F190-P194 HydrophobicContact CZ-CB 4.17Å; F190-P194 HydrophobicContact CZ-CG 3.87Å; F190-M197 HydrophobicContact CE1-SD 4.13Å; F190-M197 HydrophobicContact CE2-CE 4.12Å; F190-M197 HydrophobicContact CE2-SD 4.02Å; F190-M197 HydrophobicContact CZ-CE 4.1Å; F190-M197 HydrophobicContact CZ-SD 3.43Å; F190-M197 WeakPolarHBondContact CZ-SD 3.44Å; F190-E205 WeakPolarHBondContact CD2-OE2 3.45Å; F190-E205 WeakPolarHBondContact CE2-OE2 3.3Å; F190-M241 HydrophobicContact CE2-CE 4.32Å; F190-L244 HydrophobicContact CE2-CD1 3.56Å; F190-L244 HydrophobicContact CE2-CD2 3.99Å; F190-L244 HydrophobicContact CE2-CG 4.38Å; F190-L244 HydrophobicContact CZ-CD1 4.01Å; F190-L244 HydrophobicContact CZ-CD2 3.98Å; F190-L244 HydrophobicContact CZ-CG 4.48Å | ||
| 191 | I | 63 | Low | 63 | Low | 29 Ų | 29 | 65.9 Ų | 65.9 | 15% | 0.149 | 34% | 0.339 | C | S | . | . | trans | -111.5 | 116.8 | -165.5 | -53.9 | -175.4 | 0 | 0 | 0 | 112.8 | V176 S189 M197 E205 | V176-I191 HydrophobicContact CB-CG2 4.2Å; S189-I191 WeakPolarHBondContact O-CG1 3.36Å; I191-M197 WeakPolarHBondContact O-CE 3.13Å; I191-E205 PolarHBondContact N-OE1 3.33Å | ||
| 192 | G | 61.3 | Low | 64.3 | Low | 17 Ų | 17 | 61.1 Ų | 61.1 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 92.2 | 171.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F190 | F190-G192 WeakPolarHBondContact CE1-O 3.42Š|
| 193 | T | 75.3 | Confident | 65.5 | Low | 36 Ų | 36 | 58.7 Ų | 58.7 | 22% | 0.221 | 30% | 0.295 | C | S | . | . | trans | -83.5 | 120.4 | -175 | -44 | 0 | 0 | 0 | 0 | 111.1 | D155 K157 Y195 W196 | D155-T193 VanDerWaalsContact OD1-CB 3.32Å; D155-T193 WeakPolarHBondContact OD1-CB 3.3Å; D155-T193 PolarHBondContact OD1-N 2.82Å; D155-T193 PolarHBondContact OD1-OG1 3.44Å; K157-T193 PolarHBondContact NZ-OG1 2.74Å; T193-Y195 VanDerWaalsContact C-N 3.3Å; T193-Y195 PolarHBondContact O-N 3.22Å; T193-W196 HydrophobicContact CG2-CE3 3.57Å; T193-W196 HydrophobicContact CG2-CH2 4.36Å; T193-W196 HydrophobicContact CG2-CZ3 3.31Å; T193-W196 PolarHBondContact O-N 2.8Å; T193-W196 VanDerWaalsContact O-N 3.08Å | ||
| 194 | P | 83.3 | Confident | 66.6 | Low | 15 Ų | 15 | 54.7 Ų | 54.7 | 10% | 0.097 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -51.7 | -37.1 | -161.8 | -24.7 | 23.3 | 0 | 0 | 0 | 117.1 | F190 W196 M197 P240 I247 | F190-P194 HydrophobicContact CE1-CB 4.47Å; F190-P194 HydrophobicContact CE1-CG 3.73Å; F190-P194 HydrophobicContact CZ-CB 4.17Å; F190-P194 HydrophobicContact CZ-CG 3.87Å; P194-W196 VanDerWaalsContact C-N 3.3Å; P194-W196 PolarHBondContact O-N 3.16Å; P194-M197 PolarHBondContact O-N 2.77Å; P194-P240 HydrophobicContact CB-CB 4.22Å; P194-P240 HydrophobicContact CG-CB 3.78Å; P194-P240 HydrophobicContact CG-CG 4.27Å; P194-I247 VanDerWaalsContact O-CD1 3.27Å; P194-I247 WeakPolarHBondContact O-CD1 3.45Å |
| 195 | Y | 88.5 | Confident | 67.5 | Low | 41 Ų | 41 | 52.7 Ų | 52.7 | 16% | 0.161 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -74.5 | -21.1 | -172.2 | -48.6 | -101.2 | 0 | 0 | 0 | 112.8 | T193 P233 N235 H236 M238 V243 | T193-Y195 VanDerWaalsContact C-N 3.3Å; T193-Y195 PolarHBondContact O-N 3.22Å; Y195-P233 HydrophobicContact CG-CG 4.42Å; Y195-N235 WeakPolarHBondContact CE1-O 3.33Å; Y195-H236 WeakPolarHBondContact CE1-O 3.31Å; Y195-M238 WeakPolarHBondContact CE1-O 3.39Å; Y195-M238 PolarHBondContact OH-O 2.98Å; Y195-V243 HydrophobicContact CD1-CB 4.43Å; Y195-V243 HydrophobicContact CD1-CG1 3.94Å; Y195-V243 HydrophobicContact CD1-CG2 3.88Å; Y195-V243 HydrophobicContact CE1-CB 4.44Å; Y195-V243 HydrophobicContact CE1-CG1 4.44Å; Y195-V243 HydrophobicContact CE1-CG2 3.59Å; Y195-V243 HydrophobicContact CG-CG1 4.36Å |
| 196 | W | 93.1 | Very high | 67.9 | Low | 26 Ų | 26 | 53.9 Ų | 53.9 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -100.2 | -4.1 | -179.8 | -63.3 | -105.9 | 0 | 0 | 0 | 113.1 | K157 T193 P194 S220 V223 E227 P233 | K157-W196 HydrophobicContact CB-CD2 3.99Å; K157-W196 HydrophobicContact CB-CG 4.19Å; K157-W196 HydrophobicContact CB-CZ2 3.9Å; T193-W196 HydrophobicContact CG2-CE3 3.57Å; T193-W196 HydrophobicContact CG2-CH2 4.36Å; T193-W196 HydrophobicContact CG2-CZ3 3.31Å; T193-W196 PolarHBondContact O-N 2.8Å; T193-W196 VanDerWaalsContact O-N 3.08Å; P194-W196 VanDerWaalsContact C-N 3.3Å; P194-W196 PolarHBondContact O-N 3.16Å; W196-S220 WeakPolarHBondContact O-CA 3.25Å; W196-S220 WeakPolarHBondContact O-CB 3.47Å; W196-S220 PolarHBondContact O-OG 2.94Å; W196-V223 HydrophobicContact CB-CG1 4.37Å; W196-V223 HydrophobicContact CD2-CG1 4.48Å; W196-V223 HydrophobicContact CG-CB 4.39Å; W196-V223 HydrophobicContact CG-CG1 3.87Å; W196-E227 WeakPolarHBondContact CZ2-OE1 3.35Å; W196-E227 PolarHBondContact NE1-OE2 3.03Å; W196-P233 HydrophobicContact CH2-CB 4.24Å; W196-P233 HydrophobicContact CH2-CG 3.61Å; W196-P233 HydrophobicContact CZ2-CB 3.87Å; W196-P233 HydrophobicContact CZ2-CG 3.67Å; W196-P233 HydrophobicContact CZ3-CG 4.17Å |
| 197 | M | 89.8 | Confident | 68.2 | Low | 8 Ų | 8 | 47.3 Ų | 47.3 | 4% | 0.039 | 26% | 0.257 | C | S | . | . | trans | -68.8 | 140.4 | -178.1 | -65.3 | 174.7 | 80.2 | 0 | 0 | 112.1 | F190 I191 P194 V201 V202 E205 W219 L244 | F190-M197 HydrophobicContact CE1-SD 4.13Å; F190-M197 HydrophobicContact CE2-CE 4.12Å; F190-M197 HydrophobicContact CE2-SD 4.02Å; F190-M197 HydrophobicContact CZ-CE 4.1Å; F190-M197 HydrophobicContact CZ-SD 3.43Å; F190-M197 WeakPolarHBondContact CZ-SD 3.44Å; I191-M197 WeakPolarHBondContact O-CE 3.13Å; P194-M197 PolarHBondContact O-N 2.77Å; M197-V201 HydrophobicContact CE-CB 4.44Å; M197-V201 HydrophobicContact CE-CG1 3.67Å; M197-V202 HydrophobicContact CB-CG2 3.97Å; M197-V202 HydrophobicContact CE-CG2 4.48Å; M197-E205 WeakPolarHBondContact CE-OE2 3.32Å; M197-W219 PolarHBondContact O-NE1 3.24Å; M197-L244 HydrophobicContact CE-CD2 4.46Å; M197-L244 HydrophobicContact SD-CD2 3.77Å | ||
| 198 | A | 88.8 | Confident | 68.2 | Low | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | trans | -77.1 | 149.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E200 V201 V202 A216 W219 | A198-E200 VanDerWaalsContact CB-CD 3.46Å; A198-E200 VanDerWaalsContact CB-OE1 3.24Å; A198-E200 WeakPolarHBondContact CB-OE1 3.27Å; A198-E200 WeakPolarHBondContact CB-OE2 3.25Å; A198-E200 PolarHBondContact O-N 2.99Å; A198-E200 VanDerWaalsContact O-N 3.16Å; A198-V201 HydrophobicContact CB-CG2 4.12Å; A198-V201 WeakPolarHBondContact O-CB 3.43Å; A198-V201 PolarHBondContact O-N 3.02Å; A198-V202 PolarHBondContact O-N 2.91Å; A198-A216 HydrophobicContact CB-CB 4.37Å; A198-W219 VanDerWaalsContact CA-CD1 3.44Å; A198-W219 HydrophobicContact CB-CB 3.69Å; A198-W219 HydrophobicContact CB-CD2 4.33Å; A198-W219 HydrophobicContact CB-CG 3.69Å | ||
| 199 | P | 87.4 | Confident | 68.8 | Low | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.019 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.5 | -35.6 | -176.2 | -24.2 | 33.2 | 0 | 0 | 0 | 113.5 | M203 W219 I247 K275 | P199-M203 VanDerWaalsContact O-CG 3.26Å; P199-M203 WeakPolarHBondContact O-CG 3.48Å; P199-M203 PolarHBondContact O-N 2.74Å; P199-M203 VanDerWaalsContact O-N 3.09Å; P199-W219 HydrophobicContact CG-CD2 4.45Å; P199-W219 HydrophobicContact CG-CE3 4.18Å; P199-W219 HydrophobicContact CG-CH2 3.58Å; P199-W219 HydrophobicContact CG-CZ2 3.85Å; P199-W219 HydrophobicContact CG-CZ3 3.74Å; P199-I247 HydrophobicContact CB-CG2 4.22Å; P199-I247 HydrophobicContact CG-CG2 3.89Å; P199-K275 HydrophobicContact CG-CB 4.36Å; P199-K275 HydrophobicContact CG-CG 4.25Å |
| 200 | E | 84.1 | Confident | 68.8 | Low | 19 Ų | 19 | 55.8 Ų | 55.8 | 9% | 0.089 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 175 | 68.9 | -79.3 | -171.7 | 0 | 0 | 112.5 | A198 V202 M203 C204 V277 R280 | A198-E200 VanDerWaalsContact CB-CD 3.46Å; A198-E200 VanDerWaalsContact CB-OE1 3.24Å; A198-E200 WeakPolarHBondContact CB-OE1 3.27Å; A198-E200 WeakPolarHBondContact CB-OE2 3.25Å; A198-E200 PolarHBondContact O-N 2.99Å; A198-E200 VanDerWaalsContact O-N 3.16Å; E200-V202 VanDerWaalsContact C-N 3.34Å; E200-V202 PolarHBondContact O-N 3.04Å; E200-M203 CarbonylContact O-C 3.56Å; E200-M203 PolarHBondContact O-N 3.46Å; E200-M203 VanDerWaalsContact O-N 3.12Å; E200-C204 WeakPolarHBondContact O-CB 3.24Å; E200-C204 PolarHBondContact O-N 3.34Å; E200-C204 PolarHBondContact O-SG 3.43Å; E200-V277 HydrophobicContact CB-CG2 3.95Å; E200-V277 VanDerWaalsContact CD-CG2 3.45Å; E200-V277 HydrophobicContact CG-CG2 3.67Å; E200-R280 IonicContact OE1-CZ 2.81Å; E200-R280 IonicContact OE1-NH1 3.65Å; E200-R280 PolarHBondContact OE1-NH1 3.38Å; E200-R280 IonicContact OE1-NH2 3.33Å; E200-R280 PolarHBondContact OE1-NH2 3.44Å; E200-R280 IonicContact OE2-CZ 3.18Å; E200-R280 IonicContact OE2-NH1 3.46Å; E200-R280 PolarHBondContact OE2-NH1 3.44Å; E200-R280 IonicContact OE2-NH2 3.73Å; E200-R280 PolarHBondContact OE2-NH2 3.33Å |
| 201 | V | 79.5 | Confident | 69.1 | Low | 11 Ų | 11 | 56.9 Ų | 56.9 | 7% | 0.067 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 178.9 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | M197 A198 M203 C204 E205 Y212 A216 | M197-V201 HydrophobicContact CE-CB 4.44Å; M197-V201 HydrophobicContact CE-CG1 3.67Å; A198-V201 HydrophobicContact CB-CG2 4.12Å; A198-V201 WeakPolarHBondContact O-CB 3.43Å; A198-V201 PolarHBondContact O-N 3.02Å; V201-M203 VanDerWaalsContact C-N 3.29Å; V201-M203 PolarHBondContact O-N 3.46Å; V201-C204 PolarHBondContact O-N 2.67Å; V201-C204 VanDerWaalsContact O-N 3.16Å; V201-E205 PolarHBondContact O-N 2.62Å; V201-Y212 HydrophobicContact CB-CD1 4.5Å; V201-Y212 HydrophobicContact CG1-CD1 4.26Å; V201-Y212 HydrophobicContact CG1-CE1 4.05Å; V201-Y212 HydrophobicContact CG2-CD1 4.2Å; V201-Y212 HydrophobicContact CG2-CD2 4.02Å; V201-Y212 HydrophobicContact CG2-CE2 4.44Å; V201-Y212 HydrophobicContact CG2-CG 3.87Å; V201-A216 HydrophobicContact CG2-CB 3.88Å |
| 202 | V | 75.6 | Confident | 69.2 | Low | 9 Ų | 9 | 57.6 Ų | 57.6 | 6% | 0.055 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.4 | -38.3 | 174.9 | -178.3 | 0 | 0 | 0 | 0 | 111.8 | M197 A198 E200 T206 L244 I247 | M197-V202 HydrophobicContact CB-CG2 3.97Å; M197-V202 HydrophobicContact CE-CG2 4.48Å; A198-V202 PolarHBondContact O-N 2.91Å; E200-V202 VanDerWaalsContact C-N 3.34Å; E200-V202 PolarHBondContact O-N 3.04Å; V202-T206 PolarHBondContact O-OG1 3.42Å; V202-T206 VanDerWaalsContact O-OG1 3.13Å; V202-L244 HydrophobicContact CB-CD2 4.37Å; V202-L244 HydrophobicContact CG1-CB 3.8Å; V202-L244 HydrophobicContact CG1-CD2 3.94Å; V202-L244 HydrophobicContact CG1-CG 4.42Å; V202-L244 HydrophobicContact CG2-CD2 3.63Å; V202-I247 HydrophobicContact CG2-CG2 4.27Å |
| 203 | M | 67.3 | Low | 69.7 | Low | 87 Ų | 87 | 59.5 Ų | 59.5 | 43% | 0.429 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71.7 | -34.9 | 175.8 | -68.8 | 172.6 | -167.6 | 0 | 0 | 112.4 | P199 E200 V201 T206 S207 A248 | P199-M203 VanDerWaalsContact O-CG 3.26Å; P199-M203 WeakPolarHBondContact O-CG 3.48Å; P199-M203 PolarHBondContact O-N 2.74Å; P199-M203 VanDerWaalsContact O-N 3.09Å; E200-M203 CarbonylContact O-C 3.56Å; E200-M203 PolarHBondContact O-N 3.46Å; E200-M203 VanDerWaalsContact O-N 3.12Å; V201-M203 VanDerWaalsContact C-N 3.29Å; V201-M203 PolarHBondContact O-N 3.46Å; M203-T206 CarbonylContact O-C 3.41Å; M203-T206 PolarHBondContact O-N 3.31Å; M203-T206 PolarHBondContact O-OG1 2.91Å; M203-T206 VanDerWaalsContact O-OG1 3.06Å; M203-S207 PolarHBondContact O-N 2.97Å; M203-S207 PolarHBondContact O-OG 2.98Å; M203-A248 HydrophobicContact CE-CB 4.23Å |
| 204 | C | 63.3 | Low | 70.1 | Confident | 26 Ų | 26 | 61.2 Ų | 61.2 | 18% | 0.176 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71.3 | -34.3 | 178.7 | -65.5 | 0 | 0 | 0 | 0 | 113.7 | E200 V201 T206 S207 R210 Y212 | E200-C204 WeakPolarHBondContact O-CB 3.24Å; E200-C204 PolarHBondContact O-N 3.34Å; E200-C204 PolarHBondContact O-SG 3.43Å; V201-C204 PolarHBondContact O-N 2.67Å; V201-C204 VanDerWaalsContact O-N 3.16Å; C204-T206 PolarHBondContact O-N 2.96Å; C204-S207 CarbonylContact C-O 3.35Å; C204-S207 WeakPolarHBondContact CA-O 3.48Å; C204-R210 PolarHBondContact SG-O 3.11Å; C204-Y212 HydrophobicContact CB-CD1 4.15Å |
| 205 | E | 58.3 | Low | 70.5 | Confident | 74 Ų | 74 | 61.8 Ų | 61.8 | 35% | 0.346 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.4 | -25.2 | 172.1 | -69.7 | -169.9 | 148.9 | 0 | 0 | 112.5 | F190 I191 M197 V201 | F190-E205 WeakPolarHBondContact CD2-OE2 3.45Å; F190-E205 WeakPolarHBondContact CE2-OE2 3.3Å; I191-E205 PolarHBondContact N-OE1 3.33Å; M197-E205 WeakPolarHBondContact CE-OE2 3.32Å; V201-E205 PolarHBondContact O-N 2.62Å |
| 206 | T | 52 | Low | 70.6 | Confident | 116 Ų | 116 | 60 Ų | 60 | 71% | 0.712 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -98.3 | -10.2 | 178.3 | 59.4 | 0 | 0 | 0 | 0 | 114.2 | V202 M203 C204 | V202-T206 PolarHBondContact O-OG1 3.42Å; V202-T206 VanDerWaalsContact O-OG1 3.13Å; M203-T206 CarbonylContact O-C 3.41Å; M203-T206 PolarHBondContact O-N 3.31Å; M203-T206 PolarHBondContact O-OG1 2.91Å; M203-T206 VanDerWaalsContact O-OG1 3.06Å; C204-T206 PolarHBondContact O-N 2.96Å |
| 207 | S | 44.7 | Very low | 70.6 | Confident | 64 Ų | 64 | 58.8 Ų | 58.8 | 45% | 0.448 | 30% | 0.298 | S | S | . | . | trans | -156.1 | 131.4 | -179.4 | 64.1 | 0 | 0 | 0 | 0 | 112.3 | M203 C204 D209 | M203-S207 PolarHBondContact O-N 2.97Å; M203-S207 PolarHBondContact O-OG 2.98Å; C204-S207 CarbonylContact C-O 3.35Å; C204-S207 WeakPolarHBondContact CA-O 3.48Å; S207-D209 PolarHBondContact O-N 3.18Å | ||
| 208 | K | 45.6 | Very low | 70.9 | Confident | 201 Ų | 201 | 58.4 Ų | 58.4 | 87% | 0.874 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -84.1 | -0.6 | -157.3 | -65.3 | -175.5 | 175 | 178.7 | 0 | 116.3 | ||
| 209 | D | 44.1 | Very low | 71.3 | Confident | 156 Ų | 156 | 58.6 Ų | 58.6 | 83% | 0.834 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -105.6 | 10.9 | -156.6 | -59.2 | -47.6 | 0 | 0 | 0 | 116.5 | S207 | S207-D209 PolarHBondContact O-N 3.18Š|
| 210 | R | 48.5 | Very low | 71.7 | Confident | 147 Ų | 147 | 58.8 Ų | 58.8 | 56% | 0.555 | 30% | 0.298 | S | S | * | . | trans | -138.2 | 126.9 | 168.8 | -158 | 172.7 | -173.7 | -178.1 | -0.2 | 110.3 | C204 D278 | C204-R210 PolarHBondContact SG-O 3.11Å; R210-D278 IonicContact NH2-OD2 2.93Å; R210-D278 PolarHBondContact NH2-OD2 2.81Å | ||
| 211 | P | 57.5 | Low | 72.4 | Confident | 109 Ų | 109 | 57.9 Ų | 57.9 | 71% | 0.708 | 29% | 0.294 | S | S | * | . | trans | -69.9 | 136.9 | 164.5 | -17.3 | 31.7 | 0 | 0 | 0 | 110 | ||||
| 212 | Y | 66.3 | Low | 73.3 | Confident | 43 Ų | 43 | 57.4 Ų | 57.4 | 17% | 0.169 | 29% | 0.291 | C | S | . | . | trans | -83.4 | 151.2 | 166.6 | 62.3 | -98.5 | 0 | 0 | 0 | 110.7 | R154 V201 C204 A216 | R154-Y212 HydrophobicContact CG-CE2 4.26Å; R154-Y212 PolarHBondContact NE-OH 3.03Å; R154-Y212 PolarHBondContact NH1-OH 3.14Å; R154-Y212 PolarHBondContact NH2-OH 3.25Å; V201-Y212 HydrophobicContact CB-CD1 4.5Å; V201-Y212 HydrophobicContact CG1-CD1 4.26Å; V201-Y212 HydrophobicContact CG1-CE1 4.05Å; V201-Y212 HydrophobicContact CG2-CD1 4.2Å; V201-Y212 HydrophobicContact CG2-CD2 4.02Å; V201-Y212 HydrophobicContact CG2-CE2 4.44Å; V201-Y212 HydrophobicContact CG2-CG 3.87Å; C204-Y212 HydrophobicContact CB-CD1 4.15Å; Y212-A216 HydrophobicContact CD2-CB 4.33Å | ||
| 213 | D | 71.2 | Confident | 74.3 | Confident | 57 Ų | 57 | 57 Ų | 57 | 31% | 0.305 | 29% | 0.289 | S | S | . | . | trans | -121.1 | 177 | -169.2 | -162.8 | 15.7 | 0 | 0 | 0 | 111.5 | K215 A216 | D213-K215 PolarHBondContact O-N 3.03Å; D213-A216 WeakPolarHBondContact O-CB 3.45Å; D213-A216 PolarHBondContact O-N 3.36Å | ||
| 214 | Y | 84.6 | Confident | 75.8 | Confident | 73 Ų | 73 | 52.9 Ų | 52.9 | 29% | 0.286 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -19.1 | -176.8 | 60.2 | -94.8 | 0 | 0 | 0 | 115.1 | H147 A216 D217 | H147-Y214 HydrophobicContact CB-CD2 4.27Å; H147-Y214 HydrophobicContact CB-CG 4.18Å; H147-Y214 PolarHBondContact CE1-O 3.48Å; H147-Y214 AromaticContact ND1-CD2 3.67Å; H147-Y214 PolarHBondContact NE2-O 3.27Å; Y214-A216 PolarHBondContact O-N 2.87Å; Y214-D217 PolarHBondContact O-N 3.42Å |
| 215 | K | 90.3 | Very high | 77.5 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.2 | -12.6 | 172.5 | -69 | -179.1 | -179 | -78.7 | 0 | 114.2 | D213 I218 W219 V277 R280 | D213-K215 PolarHBondContact O-N 3.03Å; K215-I218 WeakPolarHBondContact O-CB 3.5Å; K215-I218 PolarHBondContact O-N 2.95Å; K215-W219 PolarHBondContact O-N 3.31Å; K215-V277 HydrophobicContact CB-CG1 4.1Å; K215-V277 HydrophobicContact CD-CG1 3.86Å; K215-V277 WeakPolarHBondContact CD-O 3.45Å; K215-R280 PolarHBondContact NZ-O 2.82Å; K215-R280 WeakPolarHBondContact O-CD 3.22Å; K215-R280 PolarHBondContact O-NH1 3.32Å |
| 216 | A | 90.4 | Very high | 79.3 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.2 | -47 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A198 V201 Y212 D213 Y214 I218 W219 S220 | A198-A216 HydrophobicContact CB-CB 4.37Å; V201-A216 HydrophobicContact CG2-CB 3.88Å; Y212-A216 HydrophobicContact CD2-CB 4.33Å; D213-A216 WeakPolarHBondContact O-CB 3.45Å; D213-A216 PolarHBondContact O-N 3.36Å; Y214-A216 PolarHBondContact O-N 2.87Å; A216-I218 PolarHBondContact O-N 2.88Å; A216-I218 VanDerWaalsContact O-N 3.13Å; A216-W219 WeakPolarHBondContact O-CB 3.19Å; A216-W219 PolarHBondContact O-N 3.48Å; A216-S220 PolarHBondContact O-N 2.91Å; A216-S220 VanDerWaalsContact O-N 3.13Å; A216-S220 PolarHBondContact O-OG 3.24Å |
| 217 | D | 93.4 | Very high | 81.5 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.5 | -28.1 | 178.4 | -61.7 | -26 | 0 | 0 | 0 | 112.3 | L143 H147 I152 H153 R154 Y214 S220 L221 | L143-D217 HydrophobicContact CD1-CB 4.38Å; L143-D217 HydrophobicContact CD2-CB 3.82Å; H147-D217 IonicContact CD2-OD2 3.61Å; H147-D217 IonicContact CE1-OD2 3.86Å; H147-D217 IonicContact NE2-OD2 3.29Å; H147-D217 PolarHBondContact NE2-OD2 3.29Å; I152-D217 WeakPolarHBondContact CG2-OD1 3.48Å; I152-D217 WeakPolarHBondContact CG2-OD2 3.42Å; H153-D217 PolarHBondContact N-OD1 2.9Å; H153-D217 PolarHBondContact N-OD2 2.74Å; R154-D217 PolarHBondContact N-OD1 3.04Å; Y214-D217 PolarHBondContact O-N 3.42Å; D217-S220 PolarHBondContact O-N 3.25Å; D217-L221 WeakPolarHBondContact O-CB 3.41Å; D217-L221 PolarHBondContact O-N 2.92Å |
| 218 | I | 97.2 | Very high | 84 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71 | -35.8 | 177.8 | -54.7 | -59.7 | 0 | 0 | 0 | 111.9 | L143 K215 A216 G222 R280 L286 | L143-I218 HydrophobicContact CD1-CD1 4.27Å; K215-I218 WeakPolarHBondContact O-CB 3.5Å; K215-I218 PolarHBondContact O-N 2.95Å; A216-I218 PolarHBondContact O-N 2.88Å; A216-I218 VanDerWaalsContact O-N 3.13Å; I218-G222 PolarHBondContact O-N 2.91Å; I218-R280 HydrophobicContact CG2-CG 4.28Å; I218-L286 HydrophobicContact CD1-CD1 4.49Å; I218-L286 HydrophobicContact CG2-CD1 3.42Å; I218-L286 VanDerWaalsContact CG2-CD1 3.42Å |
| 219 | W | 96.4 | Very high | 86.5 | Confident | 6 Ų | 6 | 30.9 Ų | 30.9 | 2% | 0.023 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68 | -46 | 171.5 | 173.6 | -76.7 | 0 | 0 | 0 | 110.3 | M197 A198 P199 K215 A216 L221 G222 V223 I247 L273 K275 | M197-W219 PolarHBondContact O-NE1 3.24Å; A198-W219 VanDerWaalsContact CA-CD1 3.44Å; A198-W219 HydrophobicContact CB-CB 3.69Å; A198-W219 HydrophobicContact CB-CD2 4.33Å; A198-W219 HydrophobicContact CB-CG 3.69Å; P199-W219 HydrophobicContact CG-CD2 4.45Å; P199-W219 HydrophobicContact CG-CE3 4.18Å; P199-W219 HydrophobicContact CG-CH2 3.58Å; P199-W219 HydrophobicContact CG-CZ2 3.85Å; P199-W219 HydrophobicContact CG-CZ3 3.74Å; K215-W219 PolarHBondContact O-N 3.31Å; A216-W219 WeakPolarHBondContact O-CB 3.19Å; A216-W219 PolarHBondContact O-N 3.48Å; W219-L221 VanDerWaalsContact C-N 3.27Å; W219-L221 PolarHBondContact O-N 3.32Å; W219-G222 CarbonylContact O-C 3.58Å; W219-G222 WeakPolarHBondContact O-CA 3.33Å; W219-G222 PolarHBondContact O-N 3.37Å; W219-V223 PolarHBondContact O-N 3.12Å; W219-I247 HydrophobicContact CZ2-CG2 4.3Å; W219-L273 HydrophobicContact CD2-CD2 3.68Å; W219-L273 HydrophobicContact CE3-CB 4.28Å; W219-L273 HydrophobicContact CE3-CD2 3.97Å; W219-L273 HydrophobicContact CG-CD2 4.02Å; W219-L273 HydrophobicContact CZ2-CD2 4.3Å; W219-L273 HydrophobicContact CZ3-CB 4.22Å; W219-L273 HydrophobicContact CZ3-CD2 4.39Å; W219-L273 WeakPolarHBondContact CZ3-O 3.42Å; W219-L273 WeakPolarHBondContact O-CD2 3.45Å; W219-K275 HydrophobicContact CH2-CG 4.19Å; W219-K275 HydrophobicContact CZ3-CG 4.02Å |
| 220 | S | 96.4 | Very high | 88.8 | Confident | 6 Ų | 6 | 26.3 Ų | 26.3 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.5 | -35.8 | 177 | -53.4 | 0 | 0 | 0 | 0 | 112.1 | W196 A216 D217 V223 T224 | W196-S220 WeakPolarHBondContact O-CA 3.25Å; W196-S220 WeakPolarHBondContact O-CB 3.47Å; W196-S220 PolarHBondContact O-OG 2.94Å; A216-S220 PolarHBondContact O-N 2.91Å; A216-S220 VanDerWaalsContact O-N 3.13Å; A216-S220 PolarHBondContact O-OG 3.24Å; D217-S220 PolarHBondContact O-N 3.25Å; S220-V223 PolarHBondContact O-N 3.22Å; S220-T224 WeakPolarHBondContact O-CB 3.42Å; S220-T224 PolarHBondContact O-N 2.95Å; S220-T224 PolarHBondContact O-OG1 3.05Å |
| 221 | L | 97.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.7 | -47.2 | 168.6 | 177.6 | 61.2 | 0 | 0 | 0 | 111.2 | T139 L140 L143 L156 D217 W219 V223 T224 L225 | T139-L221 HydrophobicContact CG2-CD1 3.95Å; L140-L221 HydrophobicContact CD2-CD2 3.55Å; L140-L221 HydrophobicContact CG-CD2 3.86Å; L143-L221 HydrophobicContact CD1-CB 4.45Å; L143-L221 HydrophobicContact CD1-CD2 4.17Å; L156-L221 HydrophobicContact CD2-CB 3.7Å; L156-L221 HydrophobicContact CD2-CD1 4.28Å; D217-L221 WeakPolarHBondContact O-CB 3.41Å; D217-L221 PolarHBondContact O-N 2.92Å; W219-L221 VanDerWaalsContact C-N 3.27Å; W219-L221 PolarHBondContact O-N 3.32Å; L221-V223 VanDerWaalsContact C-N 3.27Å; L221-V223 PolarHBondContact O-N 2.88Å; L221-T224 WeakPolarHBondContact O-CB 3.49Å; L221-T224 PolarHBondContact O-N 2.68Å; L221-T224 VanDerWaalsContact O-N 3.13Å; L221-L225 HydrophobicContact CD1-CD1 4.2Å; L221-L225 HydrophobicContact CD1-CD2 4.39Å; L221-L225 HydrophobicContact CD1-CG 4.07Å; L221-L225 HydrophobicContact CG-CD1 4.04Å; L221-L225 HydrophobicContact CG-CG 4.36Å; L221-L225 VanDerWaalsContact O-CG 3.26Å; L221-L225 WeakPolarHBondContact O-CG 3.32Å; L221-L225 PolarHBondContact O-N 3.23Å |
| 222 | G | 97.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55.7 | -40.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | I218 W219 I226 L269 | I218-G222 PolarHBondContact O-N 2.91Å; W219-G222 CarbonylContact O-C 3.58Å; W219-G222 WeakPolarHBondContact O-CA 3.33Å; W219-G222 PolarHBondContact O-N 3.37Å; G222-I226 PolarHBondContact O-N 2.81Å; G222-L269 WeakPolarHBondContact O-CD2 3.49Å |
| 223 | V | 98 | Very high | 93.5 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.012 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.6 | -45.5 | 173.5 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | W196 W219 S220 L221 L225 I226 E227 P233 L273 | W196-V223 HydrophobicContact CB-CG1 4.37Å; W196-V223 HydrophobicContact CD2-CG1 4.48Å; W196-V223 HydrophobicContact CG-CB 4.39Å; W196-V223 HydrophobicContact CG-CG1 3.87Å; W219-V223 PolarHBondContact O-N 3.12Å; S220-V223 PolarHBondContact O-N 3.22Å; L221-V223 VanDerWaalsContact C-N 3.27Å; L221-V223 PolarHBondContact O-N 2.88Å; V223-L225 VanDerWaalsContact C-N 3.26Å; V223-L225 PolarHBondContact O-N 3.23Å; V223-I226 WeakPolarHBondContact O-CA 3.01Å; V223-I226 WeakPolarHBondContact O-CB 3.47Å; V223-I226 PolarHBondContact O-N 2.84Å; V223-E227 PolarHBondContact O-N 3.24Å; V223-P233 HydrophobicContact CG1-CB 4.14Å; V223-L273 HydrophobicContact CG2-CD2 3.96Å |
| 224 | T | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58 | -38.6 | 177.6 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | L156 K157 A158 I161 S220 L221 I226 E227 L228 | L156-T224 PolarHBondContact O-OG1 2.85Å; L156-T224 VanDerWaalsContact O-OG1 3.14Å; K157-T224 WeakPolarHBondContact CA-OG1 3.36Å; A158-T224 HydrophobicContact CB-CG2 4.43Å; I161-T224 HydrophobicContact CD1-CG2 3.81Å; S220-T224 WeakPolarHBondContact O-CB 3.42Å; S220-T224 PolarHBondContact O-N 2.95Å; S220-T224 PolarHBondContact O-OG1 3.05Å; L221-T224 WeakPolarHBondContact O-CB 3.49Å; L221-T224 PolarHBondContact O-N 2.68Å; L221-T224 VanDerWaalsContact O-N 3.13Å; T224-I226 VanDerWaalsContact C-N 3.31Å; T224-I226 PolarHBondContact O-N 3.23Å; T224-E227 WeakPolarHBondContact CA-OE2 3.44Å; T224-E227 WeakPolarHBondContact O-CB 3.26Å; T224-E227 PolarHBondContact O-N 3.37Å; T224-L228 HydrophobicContact CG2-CG 4.46Å; T224-L228 WeakPolarHBondContact O-CG 3.32Å; T224-L228 PolarHBondContact O-N 3.42Å |
| 225 | L | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -69.9 | -27.2 | 177.4 | -65.6 | 169.3 | 0 | 0 | 0 | 112.8 | I132 C136 L221 V223 L228 A229 F265 F268 L269 | I132-L225 HydrophobicContact CG2-CD2 3.6Å; C136-L225 HydrophobicContact CB-CD1 4.44Å; C136-L225 HydrophobicContact CB-CD2 3.72Å; L221-L225 HydrophobicContact CD1-CD1 4.2Å; L221-L225 HydrophobicContact CD1-CD2 4.39Å; L221-L225 HydrophobicContact CD1-CG 4.07Å; L221-L225 HydrophobicContact CG-CD1 4.04Å; L221-L225 HydrophobicContact CG-CG 4.36Å; L221-L225 VanDerWaalsContact O-CG 3.26Å; L221-L225 WeakPolarHBondContact O-CG 3.32Å; L221-L225 PolarHBondContact O-N 3.23Å; V223-L225 VanDerWaalsContact C-N 3.26Å; V223-L225 PolarHBondContact O-N 3.23Å; L225-L228 HydrophobicContact CD2-CD1 4.47Å; L225-A229 WeakPolarHBondContact O-CB 3.44Å; L225-A229 PolarHBondContact O-N 3.09Å; L225-F265 HydrophobicContact CB-CE2 4.01Å; L225-F265 HydrophobicContact CB-CZ 4.24Å; L225-F268 HydrophobicContact CD1-CD1 3.82Å; L225-F268 HydrophobicContact CD1-CE1 3.42Å; L225-F268 VanDerWaalsContact CD1-CE1 3.42Å; L225-F268 HydrophobicContact CD1-CZ 4.41Å; L225-L269 HydrophobicContact CB-CD2 3.75Å; L225-L269 HydrophobicContact CD1-CD2 4.35Å |
| 226 | I | 97.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -72.4 | -43.5 | 169.9 | -65.1 | 173.1 | 0 | 0 | 0 | 110.5 | G222 V223 T224 A229 Q230 P234 P253 L255 L269 L273 | G222-I226 PolarHBondContact O-N 2.81Å; V223-I226 WeakPolarHBondContact O-CA 3.01Å; V223-I226 WeakPolarHBondContact O-CB 3.47Å; V223-I226 PolarHBondContact O-N 2.84Å; T224-I226 VanDerWaalsContact C-N 3.31Å; T224-I226 PolarHBondContact O-N 3.23Å; I226-A229 CarbonylContact O-C 3.52Å; I226-A229 WeakPolarHBondContact O-CB 3.45Å; I226-A229 PolarHBondContact O-N 3.49Å; I226-A229 VanDerWaalsContact O-N 3.1Å; I226-Q230 HydrophobicContact CG2-CG 4.45Å; I226-Q230 WeakPolarHBondContact O-CB 3.43Å; I226-Q230 PolarHBondContact O-N 2.99Å; I226-P234 HydrophobicContact CB-CG 4.35Å; I226-P234 HydrophobicContact CD1-CG 4.16Å; I226-P234 HydrophobicContact CG2-CG 3.89Å; I226-P253 HydrophobicContact CD1-CB 4.15Å; I226-P253 HydrophobicContact CD1-CG 4.27Å; I226-L255 HydrophobicContact CB-CD2 4.36Å; I226-L255 HydrophobicContact CG1-CD2 3.96Å; I226-L255 HydrophobicContact CG2-CD2 4.21Å; I226-L269 HydrophobicContact CG1-CD1 4.03Å; I226-L269 HydrophobicContact CG1-CD2 4.04Å; I226-L273 HydrophobicContact CD1-CD1 3.71Å |
| 227 | E | 97.2 | Very high | 93.8 | Very high | 11 Ų | 11 | 26.8 Ų | 26.8 | 5% | 0.051 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.4 | -49.6 | 172.4 | 166.7 | -168.8 | -160.1 | 0 | 0 | 111.1 | M120 A158 W196 V223 T224 A229 Q230 V231 | M120-E227 HydrophobicContact CE-CG 4.41Å; A158-E227 HydrophobicContact CB-CG 4.01Å; A158-E227 WeakPolarHBondContact CB-OE1 3.44Å; A158-E227 PolarHBondContact N-OE1 3.45Å; A158-E227 PolarHBondContact N-OE2 2.89Å; W196-E227 WeakPolarHBondContact CZ2-OE1 3.35Å; W196-E227 PolarHBondContact NE1-OE2 3.03Å; V223-E227 PolarHBondContact O-N 3.24Å; T224-E227 WeakPolarHBondContact CA-OE2 3.44Å; T224-E227 WeakPolarHBondContact O-CB 3.26Å; T224-E227 PolarHBondContact O-N 3.37Å; E227-A229 PolarHBondContact O-N 3.18Å; E227-Q230 CarbonylContact O-C 3.45Å; E227-Q230 PolarHBondContact O-N 3.44Å; E227-Q230 VanDerWaalsContact O-N 3.11Å; E227-V231 CarbonylContact O-C 3.5Å; E227-V231 VanDerWaalsContact O-CA 3.24Å; E227-V231 WeakPolarHBondContact O-CA 3.39Å; E227-V231 PolarHBondContact O-N 2.91Å |
| 228 | L | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.8 | -28.3 | 175.5 | -65.3 | -174.3 | 0 | 0 | 0 | 113.7 | V116 M120 P126 L127 I132 V135 A158 T224 L225 | V116-L228 HydrophobicContact CB-CD2 4.23Å; V116-L228 HydrophobicContact CG1-CD2 3.36Å; M120-L228 HydrophobicContact CE-CD2 3.91Å; M120-L228 HydrophobicContact SD-CD2 4.16Å; P126-L228 WeakPolarHBondContact CB-O 3.15Å; L127-L228 HydrophobicContact CD2-CD1 4.32Å; L127-L228 HydrophobicContact CD2-CD2 4.33Å; L127-L228 PolarHBondContact N-O 3.31Å; I132-L228 HydrophobicContact CD1-CB 4.21Å; I132-L228 HydrophobicContact CG1-CB 4.07Å; V135-L228 HydrophobicContact CB-CD1 4.17Å; V135-L228 HydrophobicContact CG1-CD1 3.81Å; A158-L228 HydrophobicContact CB-CD2 3.66Å; T224-L228 HydrophobicContact CG2-CG 4.46Å; T224-L228 WeakPolarHBondContact O-CG 3.32Å; T224-L228 PolarHBondContact O-N 3.42Å; L225-L228 HydrophobicContact CD2-CD1 4.47Å |
| 229 | A | 96.9 | Very high | 92.1 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 5% | 0.05 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -85.2 | -17.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P126 I132 L225 I226 E227 L255 W261 F265 | P126-A229 WeakPolarHBondContact CB-O 3.18Å; I132-A229 HydrophobicContact CD1-CB 3.87Å; L225-A229 WeakPolarHBondContact O-CB 3.44Å; L225-A229 PolarHBondContact O-N 3.09Å; I226-A229 CarbonylContact O-C 3.52Å; I226-A229 WeakPolarHBondContact O-CB 3.45Å; I226-A229 PolarHBondContact O-N 3.49Å; I226-A229 VanDerWaalsContact O-N 3.1Å; E227-A229 PolarHBondContact O-N 3.18Å; A229-L255 HydrophobicContact CB-CD2 3.89Å; A229-W261 HydrophobicContact CB-CH2 3.68Å; A229-W261 HydrophobicContact CB-CZ2 3.59Å; A229-W261 HydrophobicContact CB-CZ3 4.39Å; A229-W261 WeakPolarHBondContact O-CZ2 3.2Å; A229-F265 HydrophobicContact CB-CE1 4.15Å; A229-F265 HydrophobicContact CB-CZ 4.34Å |
| 230 | Q | 93.1 | Very high | 91.3 | Very high | 60 Ų | 60 | 35.3 Ų | 35.3 | 28% | 0.28 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -134.9 | 3.8 | -170 | -61 | -176.2 | 35.5 | 0 | 0 | 114.4 | I226 E227 E232 | I226-Q230 HydrophobicContact CG2-CG 4.45Å; I226-Q230 WeakPolarHBondContact O-CB 3.43Å; I226-Q230 PolarHBondContact O-N 2.99Å; E227-Q230 CarbonylContact O-C 3.45Å; E227-Q230 PolarHBondContact O-N 3.44Å; E227-Q230 VanDerWaalsContact O-N 3.11Å; Q230-E232 PolarHBondContact O-N 3.46Å |
| 231 | V | 89.9 | Confident | 90.2 | Very high | 59 Ų | 59 | 40 Ų | 40 | 36% | 0.358 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 68.5 | -34.1 | -170.3 | -171 | 0 | 0 | 0 | 0 | 114.1 | M120 P126 E227 | M120-V231 HydrophobicContact CB-CG1 4.44Å; P126-V231 HydrophobicContact CB-CG2 4.02Å; P126-V231 HydrophobicContact CG-CG2 4.48Å; E227-V231 CarbonylContact O-C 3.5Å; E227-V231 VanDerWaalsContact O-CA 3.24Å; E227-V231 WeakPolarHBondContact O-CA 3.39Å; E227-V231 PolarHBondContact O-N 2.91Å |
| 232 | E | 89.5 | Confident | 89.5 | Confident | 97 Ų | 97 | 48.4 Ų | 48.4 | 45% | 0.453 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -124.6 | 150.8 | -175.8 | -64.5 | 171 | 131.9 | 0 | 0 | 112.2 | Q230 H236 | Q230-E232 PolarHBondContact O-N 3.46Å; E232-H236 HydrophobicContact CB-CB 4.31Å; E232-H236 WeakPolarHBondContact CB-ND1 3.38Å; E232-H236 IonicContact OE1-CD2 3.92Å; E232-H236 IonicContact OE1-NE2 2.66Å; E232-H236 IonicContact OE2-CE1 2.68Å; E232-H236 PolarHBondContact OE2-CE1 2.81Å; E232-H236 IonicContact OE2-ND1 2.76Å; E232-H236 IonicContact OE2-NE2 2.92Å; E232-H236 PolarHBondContact OE2-NE2 3.45Å |
| 233 | P | 91.9 | Very high | 89 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | trans | -71.9 | 162 | 178 | 32.9 | -39.1 | 0 | 0 | 0 | 112.2 | Y195 W196 V223 N235 H236 | Y195-P233 HydrophobicContact CG-CG 4.42Å; W196-P233 HydrophobicContact CH2-CB 4.24Å; W196-P233 HydrophobicContact CH2-CG 3.61Å; W196-P233 HydrophobicContact CZ2-CB 3.87Å; W196-P233 HydrophobicContact CZ2-CG 3.67Å; W196-P233 HydrophobicContact CZ3-CG 4.17Å; V223-P233 HydrophobicContact CG1-CB 4.14Å; P233-N235 PolarHBondContact O-N 3.3Å; P233-H236 HydrophobicContact CG-CB 4.03Å; P233-H236 PolarHBondContact O-N 2.67Å | ||
| 234 | P | 90.4 | Very high | 88.3 | Confident | 21 Ų | 21 | 49.3 Ų | 49.3 | 14% | 0.136 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 127.4 | 176.4 | -21.8 | 33.3 | 0 | 0 | 0 | 111.8 | I226 P253 | I226-P234 HydrophobicContact CB-CG 4.35Å; I226-P234 HydrophobicContact CD1-CG 4.16Å; I226-P234 HydrophobicContact CG2-CG 3.89Å; P234-P253 HydrophobicContact CB-CB 3.66Å; P234-P253 HydrophobicContact CB-CG 4.37Å; P234-P253 HydrophobicContact CG-CB 3.57Å; P234-P253 HydrophobicContact CG-CG 4.03Å |
| 235 | N | 87.6 | Confident | 87.5 | Confident | 43 Ų | 43 | 54.2 Ų | 54.2 | 23% | 0.23 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 24.7 | 178.4 | -33.1 | -86.9 | 0 | 0 | 0 | 115.2 | Y195 P233 E237 M238 V243 K246 | Y195-N235 WeakPolarHBondContact CE1-O 3.33Å; P233-N235 PolarHBondContact O-N 3.3Å; N235-E237 PolarHBondContact O-N 3.46Å; N235-M238 HydrophobicContact CB-CB 4.43Å; N235-M238 HydrophobicContact CB-CG 4.25Å; N235-M238 HydrophobicContact CB-SD 3.95Å; N235-M238 WeakPolarHBondContact O-CB 3.45Å; N235-M238 PolarHBondContact O-N 2.79Å; N235-V243 HydrophobicContact CB-CG2 4.43Å; N235-K246 WeakPolarHBondContact OD1-CD 3.31Å; N235-K246 WeakPolarHBondContact OD1-CE 3.25Å; N235-K246 PolarHBondContact OD1-NZ 2.91Å |
| 236 | H | 84.2 | Confident | 86.9 | Confident | 80 Ų | 80 | 57.8 Ų | 57.8 | 37% | 0.37 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -36.1 | 176.6 | 69.4 | -94.9 | 0 | 0 | 0 | 113.5 | Y195 E232 P233 M238 | Y195-H236 WeakPolarHBondContact CE1-O 3.31Å; E232-H236 HydrophobicContact CB-CB 4.31Å; E232-H236 WeakPolarHBondContact CB-ND1 3.38Å; E232-H236 IonicContact OE1-CD2 3.92Å; E232-H236 IonicContact OE1-NE2 2.66Å; E232-H236 IonicContact OE2-CE1 2.68Å; E232-H236 PolarHBondContact OE2-CE1 2.81Å; E232-H236 IonicContact OE2-ND1 2.76Å; E232-H236 IonicContact OE2-NE2 2.92Å; E232-H236 PolarHBondContact OE2-NE2 3.45Å; P233-H236 HydrophobicContact CG-CB 4.03Å; P233-H236 PolarHBondContact O-N 2.67Å; H236-M238 PolarHBondContact O-N 2.84Å |
| 237 | E | 81.3 | Confident | 86.5 | Confident | 157 Ų | 157 | 58.6 Ų | 58.6 | 73% | 0.734 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -18.4 | 178.6 | 62.2 | 178.1 | -175.8 | 0 | 0 | 114.4 | N235 | N235-E237 PolarHBondContact O-N 3.46Š|
| 238 | M | 77.1 | Confident | 85.8 | Confident | 45 Ų | 45 | 59.3 Ų | 59.3 | 22% | 0.222 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -90 | 143.3 | -176.5 | -69.1 | -176.4 | 56.6 | 0 | 0 | 111.7 | Y195 N235 H236 R242 V243 K246 | Y195-M238 WeakPolarHBondContact CE1-O 3.39Å; Y195-M238 PolarHBondContact OH-O 2.98Å; N235-M238 HydrophobicContact CB-CB 4.43Å; N235-M238 HydrophobicContact CB-CG 4.25Å; N235-M238 HydrophobicContact CB-SD 3.95Å; N235-M238 WeakPolarHBondContact O-CB 3.45Å; N235-M238 PolarHBondContact O-N 2.79Å; H236-M238 PolarHBondContact O-N 2.84Å; M238-R242 HydrophobicContact CE-CB 3.67Å; M238-V243 HydrophobicContact CB-CG2 3.49Å; M238-V243 VanDerWaalsContact CB-CG2 3.49Å; M238-K246 HydrophobicContact CE-CD 3.93Å; M238-K246 HydrophobicContact SD-CD 3.57Å; M238-K246 VanDerWaalsContact SD-CD 3.57Å |
| 239 | N | 76.8 | Confident | 85.2 | Confident | 96 Ų | 96 | 67.2 Ų | 67.2 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | trans | -55.9 | 136.4 | 171.3 | 175 | -79.6 | 0 | 0 | 0 | 111.3 | M241 R242 V243 | N239-M241 VanDerWaalsContact C-N 3.33Å; N239-M241 PolarHBondContact O-N 3.4Å; N239-M241 VanDerWaalsContact O-N 3.12Å; N239-M241 PolarHBondContact OD1-N 3.31Å; N239-R242 WeakPolarHBondContact O-CA 3.42Å; N239-R242 WeakPolarHBondContact O-CB 3.24Å; N239-R242 PolarHBondContact O-N 2.94Å; N239-V243 PolarHBondContact O-N 3.29Å; N239-V243 VanDerWaalsContact O-N 3.13Å | ||
| 240 | P | 78.7 | Confident | 84.8 | Confident | 43 Ų | 43 | 69.5 Ų | 69.5 | 28% | 0.279 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -40.9 | -49.2 | -179.8 | -38.4 | 39.7 | 0 | 0 | 0 | 116.2 | P194 R242 V243 L244 | P194-P240 HydrophobicContact CB-CB 4.22Å; P194-P240 HydrophobicContact CG-CB 3.78Å; P194-P240 HydrophobicContact CG-CG 4.27Å; P240-R242 VanDerWaalsContact C-N 3.29Å; P240-R242 PolarHBondContact O-N 3.44Å; P240-V243 WeakPolarHBondContact O-CB 3.22Å; P240-V243 PolarHBondContact O-N 3.23Å; P240-V243 VanDerWaalsContact O-N 3.08Å; P240-L244 PolarHBondContact O-N 2.99Å; P240-L244 VanDerWaalsContact O-N 3.16Å |
| 241 | M | 75.1 | Confident | 84.6 | Confident | 105 Ų | 105 | 75 Ų | 75 | 52% | 0.517 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.2 | -29.1 | -176.6 | -64.1 | -64.5 | 105.7 | 0 | 0 | 112.6 | F190 N239 L244 | F190-M241 HydrophobicContact CE2-CE 4.32Å; N239-M241 VanDerWaalsContact C-N 3.33Å; N239-M241 PolarHBondContact O-N 3.4Å; N239-M241 VanDerWaalsContact O-N 3.12Å; N239-M241 PolarHBondContact OD1-N 3.31Å; M241-L244 HydrophobicContact CE-CD1 3.53Å; M241-L244 HydrophobicContact SD-CD1 4.05Å |
| 242 | R | 82.9 | Confident | 84.8 | Confident | 178 Ų | 178 | 74.6 Ų | 74.6 | 67% | 0.672 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -75.8 | -30 | 173 | -66.4 | -174.7 | 172.6 | -178.5 | -1.3 | 112 | M238 N239 P240 K246 | M238-R242 HydrophobicContact CE-CB 3.67Å; N239-R242 WeakPolarHBondContact O-CA 3.42Å; N239-R242 WeakPolarHBondContact O-CB 3.24Å; N239-R242 PolarHBondContact O-N 2.94Å; P240-R242 VanDerWaalsContact C-N 3.29Å; P240-R242 PolarHBondContact O-N 3.44Å; R242-K246 PolarHBondContact O-N 3.02Å; R242-K246 VanDerWaalsContact O-N 3.13Å |
| 243 | V | 86 | Confident | 85 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.7 | -43.6 | 177.4 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | Y195 N235 M238 N239 P240 L245 K246 I247 | Y195-V243 HydrophobicContact CD1-CB 4.43Å; Y195-V243 HydrophobicContact CD1-CG1 3.94Å; Y195-V243 HydrophobicContact CD1-CG2 3.88Å; Y195-V243 HydrophobicContact CE1-CB 4.44Å; Y195-V243 HydrophobicContact CE1-CG1 4.44Å; Y195-V243 HydrophobicContact CE1-CG2 3.59Å; Y195-V243 HydrophobicContact CG-CG1 4.36Å; N235-V243 HydrophobicContact CB-CG2 4.43Å; M238-V243 HydrophobicContact CB-CG2 3.49Å; M238-V243 VanDerWaalsContact CB-CG2 3.49Å; N239-V243 PolarHBondContact O-N 3.29Å; N239-V243 VanDerWaalsContact O-N 3.13Å; P240-V243 WeakPolarHBondContact O-CB 3.22Å; P240-V243 PolarHBondContact O-N 3.23Å; P240-V243 VanDerWaalsContact O-N 3.08Å; V243-L245 VanDerWaalsContact C-N 3.35Å; V243-L245 PolarHBondContact O-N 3.05Å; V243-K246 CarbonylContact O-C 3.6Å; V243-K246 WeakPolarHBondContact O-CA 3.48Å; V243-K246 WeakPolarHBondContact O-CB 3.46Å; V243-K246 PolarHBondContact O-N 3.01Å; V243-I247 HydrophobicContact CG1-CD1 3.71Å; V243-I247 HydrophobicContact CG1-CG1 4.18Å; V243-I247 WeakPolarHBondContact O-CG1 3.37Å; V243-I247 PolarHBondContact O-N 3.28Å |
| 244 | L | 83.4 | Confident | 85.1 | Confident | 20 Ų | 20 | 75.8 Ų | 75.8 | 11% | 0.105 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -53.9 | -49.6 | 174.7 | -64.6 | 171.8 | 0 | 0 | 0 | 112 | F190 M197 V202 P240 M241 K246 I247 A248 | F190-L244 HydrophobicContact CE2-CD1 3.56Å; F190-L244 HydrophobicContact CE2-CD2 3.99Å; F190-L244 HydrophobicContact CE2-CG 4.38Å; F190-L244 HydrophobicContact CZ-CD1 4.01Å; F190-L244 HydrophobicContact CZ-CD2 3.98Å; F190-L244 HydrophobicContact CZ-CG 4.48Å; M197-L244 HydrophobicContact CE-CD2 4.46Å; M197-L244 HydrophobicContact SD-CD2 3.77Å; V202-L244 HydrophobicContact CB-CD2 4.37Å; V202-L244 HydrophobicContact CG1-CB 3.8Å; V202-L244 HydrophobicContact CG1-CD2 3.94Å; V202-L244 HydrophobicContact CG1-CG 4.42Å; V202-L244 HydrophobicContact CG2-CD2 3.63Å; P240-L244 PolarHBondContact O-N 2.99Å; P240-L244 VanDerWaalsContact O-N 3.16Å; M241-L244 HydrophobicContact CE-CD1 3.53Å; M241-L244 HydrophobicContact SD-CD1 4.05Å; L244-K246 VanDerWaalsContact C-N 3.26Å; L244-K246 PolarHBondContact O-N 3.38Å; L244-I247 PolarHBondContact O-N 3.26Å; L244-A248 WeakPolarHBondContact O-CB 3.41Å; L244-A248 PolarHBondContact O-N 2.95Å |
| 245 | L | 80.9 | Confident | 85.2 | Confident | 104 Ų | 104 | 74.9 Ų | 74.9 | 55% | 0.545 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.9 | -33.2 | 176.2 | -67.2 | 174.4 | 0 | 0 | 0 | 112.7 | V243 K249 | V243-L245 VanDerWaalsContact C-N 3.35Å; V243-L245 PolarHBondContact O-N 3.05Å; L245-K249 WeakPolarHBondContact O-CB 3.48Å; L245-K249 WeakPolarHBondContact O-CG 3.07Å; L245-K249 PolarHBondContact O-N 3.26Å; L245-K249 VanDerWaalsContact O-N 3.09Å |
| 246 | K | 85.9 | Confident | 85.3 | Confident | 74 Ų | 74 | 80 Ų | 80 | 32% | 0.322 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -73 | -45.9 | 176.9 | -161.2 | 173.3 | -173.9 | -179.9 | 0 | 111.6 | N235 M238 R242 V243 L244 A248 K249 S250 | N235-K246 WeakPolarHBondContact OD1-CD 3.31Å; N235-K246 WeakPolarHBondContact OD1-CE 3.25Å; N235-K246 PolarHBondContact OD1-NZ 2.91Å; M238-K246 HydrophobicContact CE-CD 3.93Å; M238-K246 HydrophobicContact SD-CD 3.57Å; M238-K246 VanDerWaalsContact SD-CD 3.57Å; R242-K246 PolarHBondContact O-N 3.02Å; R242-K246 VanDerWaalsContact O-N 3.13Å; V243-K246 CarbonylContact O-C 3.6Å; V243-K246 WeakPolarHBondContact O-CA 3.48Å; V243-K246 WeakPolarHBondContact O-CB 3.46Å; V243-K246 PolarHBondContact O-N 3.01Å; L244-K246 VanDerWaalsContact C-N 3.26Å; L244-K246 PolarHBondContact O-N 3.38Å; K246-A248 VanDerWaalsContact C-N 3.3Å; K246-A248 PolarHBondContact O-N 3.37Å; K246-K249 PolarHBondContact O-N 3.37Å; K246-S250 WeakPolarHBondContact CG-OG 3.41Å; K246-S250 WeakPolarHBondContact O-CB 3.37Å; K246-S250 PolarHBondContact O-N 3.09Å; K246-S250 PolarHBondContact O-OG 3.26Å |
| 247 | I | 89.1 | Confident | 85.5 | Confident | 19 Ų | 19 | 81.6 Ų | 81.6 | 10% | 0.097 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -57.6 | -44.5 | 174 | -67.4 | 169.6 | 0 | 0 | 0 | 110.4 | P194 P199 V202 W219 V243 L244 K275 | P194-I247 VanDerWaalsContact O-CD1 3.27Å; P194-I247 WeakPolarHBondContact O-CD1 3.45Å; P199-I247 HydrophobicContact CB-CG2 4.22Å; P199-I247 HydrophobicContact CG-CG2 3.89Å; V202-I247 HydrophobicContact CG2-CG2 4.27Å; W219-I247 HydrophobicContact CZ2-CG2 4.3Å; V243-I247 HydrophobicContact CG1-CD1 3.71Å; V243-I247 HydrophobicContact CG1-CG1 4.18Å; V243-I247 WeakPolarHBondContact O-CG1 3.37Å; V243-I247 PolarHBondContact O-N 3.28Å; L244-I247 PolarHBondContact O-N 3.26Å; I247-K275 WeakPolarHBondContact O-CE 3.29Å; I247-K275 PolarHBondContact O-NZ 3.27Å |
| 248 | A | 84 | Confident | 86.1 | Confident | 25 Ų | 25 | 76.9 Ų | 76.9 | 21% | 0.207 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | M203 L244 K246 K275 | M203-A248 HydrophobicContact CE-CB 4.23Å; L244-A248 WeakPolarHBondContact O-CB 3.41Å; L244-A248 PolarHBondContact O-N 2.95Å; K246-A248 VanDerWaalsContact C-N 3.3Å; K246-A248 PolarHBondContact O-N 3.37Å; A248-K275 PolarHBondContact O-NZ 2.88Å |
| 249 | K | 83.6 | Confident | 86.8 | Confident | 167 Ų | 167 | 80.3 Ų | 80.3 | 73% | 0.726 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -101.6 | -28.7 | -168.2 | -64.2 | -180 | 179.9 | -178.3 | 0 | 116.5 | L245 K246 | L245-K249 WeakPolarHBondContact O-CB 3.48Å; L245-K249 WeakPolarHBondContact O-CG 3.07Å; L245-K249 PolarHBondContact O-N 3.26Å; L245-K249 VanDerWaalsContact O-N 3.09Å; K246-K249 PolarHBondContact O-N 3.37Å |
| 250 | S | 88.3 | Confident | 87.6 | Confident | 53 Ų | 53 | 85.1 Ų | 85.1 | 37% | 0.371 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -84.8 | 169.8 | -176.5 | -61.7 | 0 | 0 | 0 | 0 | 113.2 | K246 K275 | K246-S250 WeakPolarHBondContact CG-OG 3.41Å; K246-S250 WeakPolarHBondContact O-CB 3.37Å; K246-S250 PolarHBondContact O-N 3.09Å; K246-S250 PolarHBondContact O-OG 3.26Å; S250-K275 PolarHBondContact O-NZ 3.27Å |
| 251 | E | 90.3 | Very high | 88.4 | Confident | 176 Ų | 176 | 85.6 Ų | 85.6 | 82% | 0.822 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -64 | 161.3 | 167.1 | -62.2 | -171 | 148 | 0 | 0 | 111.6 | ||
| 252 | P | 93.4 | Very high | 89.5 | Confident | 51 Ų | 51 | 81.5 Ų | 81.5 | 33% | 0.331 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 143.6 | 172.8 | -28.5 | 36.6 | 0 | 0 | 0 | 113.5 | L273 K275 | P252-L273 HydrophobicContact CB-CB 4.21Å; P252-L273 VanDerWaalsContact CB-O 3.29Å; P252-L273 WeakPolarHBondContact CB-O 3.46Å; P252-L273 WeakPolarHBondContact CG-O 3.35Å; P252-K275 HydrophobicContact CG-CD 4.45Å; P252-K275 HydrophobicContact CG-CG 3.92Å |
| 253 | P | 93.5 | Very high | 90.2 | Very high | 31 Ų | 31 | 77.6 Ų | 77.6 | 20% | 0.201 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 144.2 | 173.1 | 27.9 | -31.6 | 0 | 0 | 0 | 110.8 | I226 P234 L273 | I226-P253 HydrophobicContact CD1-CB 4.15Å; I226-P253 HydrophobicContact CD1-CG 4.27Å; P234-P253 HydrophobicContact CB-CB 3.66Å; P234-P253 HydrophobicContact CB-CG 4.37Å; P234-P253 HydrophobicContact CG-CB 3.57Å; P234-P253 HydrophobicContact CG-CG 4.03Å; P253-L273 HydrophobicContact CG-CD1 4.19Å; P253-L273 HydrophobicContact CG-CD2 4.46Å; P253-L273 WeakPolarHBondContact O-CD1 3.43Å |
| 254 | T | 93.9 | Very high | 90.7 | Very high | 104 Ų | 104 | 81.4 Ų | 81.4 | 64% | 0.638 | 42% | 0.424 | S | S | * | . | trans | -127.2 | 169.8 | 176.5 | 54.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 255 | L | 92.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 80.5 Ų | 80.5 | 1% | 0.01 | 42% | 0.419 | C | S | . | . | trans | -68 | 137.8 | 175.3 | -62.1 | 171.2 | 0 | 0 | 0 | 109.9 | I226 A229 H257 P258 W261 F265 L269 | I226-L255 HydrophobicContact CB-CD2 4.36Å; I226-L255 HydrophobicContact CG1-CD2 3.96Å; I226-L255 HydrophobicContact CG2-CD2 4.21Å; A229-L255 HydrophobicContact CB-CD2 3.89Å; L255-H257 PolarHBondContact O-N 3.19Å; L255-H257 VanDerWaalsContact O-N 3.11Å; L255-P258 WeakPolarHBondContact O-CD 3.44Å; L255-P258 VanDerWaalsContact O-CG 3.28Å; L255-P258 WeakPolarHBondContact O-CG 3.45Å; L255-W261 HydrophobicContact CD1-CB 3.96Å; L255-W261 VanDerWaalsContact CD1-CD1 3.5Å; L255-W261 HydrophobicContact CD1-CD2 4.18Å; L255-W261 HydrophobicContact CD1-CG 3.61Å; L255-F265 HydrophobicContact CD1-CD1 3.98Å; L255-F265 HydrophobicContact CD1-CE1 3.86Å; L255-L269 HydrophobicContact CD1-CD1 3.65Å; L255-L269 HydrophobicContact CD2-CD1 3.9Å; L255-L269 HydrophobicContact CG-CD1 3.59Å | ||
| 256 | M | 89.9 | Confident | 92.2 | Very high | 150 Ų | 150 | 77.5 Ų | 77.5 | 74% | 0.739 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -62.2 | -25.8 | -176.3 | -66.8 | -155.2 | 85.9 | 0 | 0 | 113.7 | ||
| 257 | H | 89.9 | Confident | 92.7 | Very high | 114 Ų | 114 | 75.8 Ų | 75.8 | 53% | 0.528 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -132.5 | 77.6 | 174.7 | -60.1 | -30 | 0 | 0 | 0 | 110 | L255 S259 R260 | L255-H257 PolarHBondContact O-N 3.19Å; L255-H257 VanDerWaalsContact O-N 3.11Å; H257-S259 PolarHBondContact O-N 3.28Å; H257-S259 VanDerWaalsContact O-N 3.12Å; H257-R260 HydrophobicContact CB-CG 3.93Å; H257-R260 PolarHBondContact O-N 3.14Å |
| 258 | P | 92.4 | Very high | 93.2 | Very high | 58 Ų | 58 | 74.9 Ų | 74.9 | 38% | 0.377 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -55.6 | -34.2 | -173.2 | -27.8 | 37.2 | 0 | 0 | 0 | 113.7 | L255 R260 W261 N266 | L255-P258 WeakPolarHBondContact O-CD 3.44Å; L255-P258 VanDerWaalsContact O-CG 3.28Å; L255-P258 WeakPolarHBondContact O-CG 3.45Å; P258-R260 PolarHBondContact O-N 3.31Å; P258-W261 PolarHBondContact O-N 3.48Å; P258-W261 VanDerWaalsContact O-N 3.14Å; P258-N266 WeakPolarHBondContact CB-OD1 3.31Å; P258-N266 PolarHBondContact O-ND2 3.42Å |
| 259 | S | 92.8 | Very high | 93.8 | Very high | 116 Ų | 116 | 74 Ų | 74 | 81% | 0.811 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -69 | -7.5 | 179.6 | 53.6 | 0 | 0 | 0 | 0 | 115.4 | H257 W261 | H257-S259 PolarHBondContact O-N 3.28Å; H257-S259 VanDerWaalsContact O-N 3.12Å; S259-W261 VanDerWaalsContact C-N 3.31Å |
| 260 | R | 93.3 | Very high | 94.5 | Very high | 198 Ų | 198 | 74.1 Ų | 74.1 | 75% | 0.747 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -85.9 | -4.2 | 171.3 | -64.1 | -170.7 | 68.6 | -169.3 | -1.8 | 113.3 | H257 P258 | H257-R260 HydrophobicContact CB-CG 3.93Å; H257-R260 PolarHBondContact O-N 3.14Å; P258-R260 PolarHBondContact O-N 3.31Å |
| 261 | W | 96.3 | Very high | 94.9 | Very high | 52 Ų | 52 | 74.8 Ų | 74.8 | 20% | 0.197 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -127.8 | 157 | -171.5 | -58.8 | 95.8 | 0 | 0 | 0 | 110.6 | E129 I132 A229 L255 P258 S259 F265 N266 | E129-W261 HydrophobicContact CB-CE3 4.02Å; E129-W261 HydrophobicContact CB-CZ3 3.92Å; E129-W261 HydrophobicContact CG-CE3 3.96Å; E129-W261 HydrophobicContact CG-CZ3 4.21Å; I132-W261 HydrophobicContact CD1-CH2 4.01Å; I132-W261 HydrophobicContact CD1-CZ3 3.89Å; A229-W261 HydrophobicContact CB-CH2 3.68Å; A229-W261 HydrophobicContact CB-CZ2 3.59Å; A229-W261 HydrophobicContact CB-CZ3 4.39Å; A229-W261 WeakPolarHBondContact O-CZ2 3.2Å; L255-W261 HydrophobicContact CD1-CB 3.96Å; L255-W261 VanDerWaalsContact CD1-CD1 3.5Å; L255-W261 HydrophobicContact CD1-CD2 4.18Å; L255-W261 HydrophobicContact CD1-CG 3.61Å; P258-W261 PolarHBondContact O-N 3.48Å; P258-W261 VanDerWaalsContact O-N 3.14Å; S259-W261 VanDerWaalsContact C-N 3.31Å; W261-F265 HydrophobicContact CB-CD1 4.04Å; W261-F265 AromaticContact CD2-CD1 3.96Å; W261-F265 HydrophobicContact CD2-CD1 3.96Å; W261-F265 HydrophobicContact CD2-CE1 4.01Å; W261-F265 AromaticContact CE3-CD1 3.58Å; W261-F265 HydrophobicContact CE3-CD1 3.58Å; W261-F265 AromaticContact CE3-CE1 3.66Å; W261-F265 HydrophobicContact CE3-CE1 3.66Å; W261-F265 HydrophobicContact CG-CD1 4.18Å; W261-F265 HydrophobicContact CZ3-CD1 4.31Å; W261-F265 HydrophobicContact CZ3-CE1 4.01Å; W261-N266 PolarHBondContact O-ND2 2.77Å |
| 262 | S | 97.2 | Very high | 95.3 | Very high | 19 Ų | 19 | 66.4 Ų | 66.4 | 13% | 0.133 | 34% | 0.337 | C | S | . | . | trans | -62.9 | 149 | -178.2 | 59.8 | 0 | 0 | 0 | 0 | 112.5 | E129 R133 E264 F265 N266 | E129-S262 WeakPolarHBondContact OE1-CB 3.39Å; E129-S262 PolarHBondContact OE1-OG 3.29Å; E129-S262 WeakPolarHBondContact OE2-CB 3.38Å; E129-S262 PolarHBondContact OE2-N 3.2Å; E129-S262 PolarHBondContact OE2-OG 3.34Å; R133-S262 PolarHBondContact NH2-OG 3.26Å; S262-E264 WeakPolarHBondContact CB-OE2 3.45Å; S262-E264 PolarHBondContact O-N 3.4Å; S262-F265 PolarHBondContact O-N 3.02Å; S262-F265 WeakPolarHBondContact OG-CB 3.16Å; S262-F265 PolarHBondContact OG-N 3.32Å; S262-F265 VanDerWaalsContact OG-N 3.11Å; S262-N266 PolarHBondContact O-N 3.49Å; S262-N266 VanDerWaalsContact O-N 3.13Å; S262-N266 PolarHBondContact O-ND2 3.46Å | ||
| 263 | P | 96.8 | Very high | 95.4 | Very high | 97 Ų | 97 | 64.1 Ų | 64.1 | 63% | 0.63 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -54 | -36.3 | 169.6 | -25.9 | 35.3 | 0 | 0 | 0 | 112.2 | N266 D267 | P263-N266 PolarHBondContact O-N 3.06Å; P263-D267 WeakPolarHBondContact O-CB 3.41Å; P263-D267 PolarHBondContact O-N 3.17Å |
| 264 | E | 97.3 | Very high | 95.5 | Very high | 80 Ų | 80 | 65 Ų | 65 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 177.4 | -64.8 | 72.8 | -162.7 | 0 | 0 | 112 | S262 F268 H289 P290 F291 | S262-E264 WeakPolarHBondContact CB-OE2 3.45Å; S262-E264 PolarHBondContact O-N 3.4Å; E264-F268 WeakPolarHBondContact O-CB 3.26Å; E264-F268 PolarHBondContact O-N 3.29Å; E264-H289 WeakPolarHBondContact CA-CE1 3.33Å; E264-H289 PolarHBondContact O-CE1 3.42Å; E264-P290 HydrophobicContact CG-CB 4.08Å; E264-F291 HydrophobicContact CB-CB 4.22Å; E264-F291 HydrophobicContact CB-CD2 4.44Å |
| 265 | F | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.8 | -43.6 | 177.4 | -173 | -156.2 | 0 | 0 | 0 | 111.7 | E129 I132 L225 A229 L255 W261 S262 D267 F268 L269 F291 | E129-F265 HydrophobicContact CG-CD1 4.16Å; I132-F265 HydrophobicContact CD1-CE1 4.26Å; I132-F265 HydrophobicContact CD1-CZ 4.31Å; I132-F265 HydrophobicContact CG2-CE2 4.11Å; I132-F265 HydrophobicContact CG2-CZ 3.91Å; L225-F265 HydrophobicContact CB-CE2 4.01Å; L225-F265 HydrophobicContact CB-CZ 4.24Å; A229-F265 HydrophobicContact CB-CE1 4.15Å; A229-F265 HydrophobicContact CB-CZ 4.34Å; L255-F265 HydrophobicContact CD1-CD1 3.98Å; L255-F265 HydrophobicContact CD1-CE1 3.86Å; W261-F265 HydrophobicContact CB-CD1 4.04Å; W261-F265 AromaticContact CD2-CD1 3.96Å; W261-F265 HydrophobicContact CD2-CD1 3.96Å; W261-F265 HydrophobicContact CD2-CE1 4.01Å; W261-F265 AromaticContact CE3-CD1 3.58Å; W261-F265 HydrophobicContact CE3-CD1 3.58Å; W261-F265 AromaticContact CE3-CE1 3.66Å; W261-F265 HydrophobicContact CE3-CE1 3.66Å; W261-F265 HydrophobicContact CG-CD1 4.18Å; W261-F265 HydrophobicContact CZ3-CD1 4.31Å; W261-F265 HydrophobicContact CZ3-CE1 4.01Å; S262-F265 PolarHBondContact O-N 3.02Å; S262-F265 WeakPolarHBondContact OG-CB 3.16Å; S262-F265 PolarHBondContact OG-N 3.32Å; S262-F265 VanDerWaalsContact OG-N 3.11Å; F265-D267 VanDerWaalsContact C-N 3.35Å; F265-D267 PolarHBondContact O-N 3.37Å; F265-F268 WeakPolarHBondContact O-CB 3.38Å; F265-F268 PolarHBondContact O-N 3.43Å; F265-L269 HydrophobicContact CD2-CD1 4.22Å; F265-L269 HydrophobicContact CD2-CG 4.01Å; F265-L269 HydrophobicContact CE1-CD1 4.48Å; F265-L269 HydrophobicContact CE2-CD1 3.87Å; F265-L269 HydrophobicContact CE2-CD2 3.9Å; F265-L269 HydrophobicContact CE2-CG 3.73Å; F265-L269 HydrophobicContact CZ-CD1 4Å; F265-L269 HydrophobicContact CZ-CD2 4.45Å; F265-L269 HydrophobicContact CZ-CG 4.35Å; F265-L269 WeakPolarHBondContact O-CG 3.37Å; F265-L269 PolarHBondContact O-N 3.41Å; F265-F291 HydrophobicContact CB-CD2 3.77Å; F265-F291 HydrophobicContact CB-CE2 3.45Å; F265-F291 VanDerWaalsContact CB-CE2 3.45Å; F265-F291 HydrophobicContact CB-CZ 4.07Å; F265-F291 HydrophobicContact CD1-CE2 4.49Å; F265-F291 HydrophobicContact CD1-CZ 4.49Å; F265-F291 HydrophobicContact CD2-CD1 4.34Å; F265-F291 HydrophobicContact CD2-CD2 4.32Å; F265-F291 AromaticContact CD2-CE1 3.7Å; F265-F291 HydrophobicContact CD2-CE1 3.7Å; F265-F291 AromaticContact CD2-CE2 3.69Å; F265-F291 HydrophobicContact CD2-CE2 3.69Å; F265-F291 AromaticContact CD2-CZ 3.33Å; F265-F291 HydrophobicContact CD2-CZ 3.33Å; F265-F291 HydrophobicContact CE2-CE1 4.11Å; F265-F291 AromaticContact CE2-CZ 3.86Å; F265-F291 HydrophobicContact CE2-CZ 3.86Å; F265-F291 HydrophobicContact CG-CD2 4.34Å; F265-F291 HydrophobicContact CG-CE1 4.48Å; F265-F291 AromaticContact CG-CE2 3.64Å; F265-F291 HydrophobicContact CG-CE2 3.64Å; F265-F291 AromaticContact CG-CZ 3.72Å; F265-F291 HydrophobicContact CG-CZ 3.72Å |
| 266 | N | 97.3 | Very high | 95.2 | Very high | 42 Ų | 42 | 65.9 Ų | 65.9 | 23% | 0.225 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 177.3 | -74.9 | -79.5 | 0 | 0 | 0 | 112 | P258 W261 S262 P263 R270 | P258-N266 WeakPolarHBondContact CB-OD1 3.31Å; P258-N266 PolarHBondContact O-ND2 3.42Å; W261-N266 PolarHBondContact O-ND2 2.77Å; S262-N266 PolarHBondContact O-N 3.49Å; S262-N266 VanDerWaalsContact O-N 3.13Å; S262-N266 PolarHBondContact O-ND2 3.46Å; P263-N266 PolarHBondContact O-N 3.06Å; N266-R270 WeakPolarHBondContact O-CB 3.49Å; N266-R270 PolarHBondContact O-N 2.86Å |
| 267 | D | 97.7 | Very high | 95.1 | Very high | 37 Ų | 37 | 59.7 Ų | 59.7 | 20% | 0.198 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73 | -31.5 | 176.5 | -171.8 | 58.3 | 0 | 0 | 0 | 112.9 | P263 F265 R270 R271 H289 | P263-D267 WeakPolarHBondContact O-CB 3.41Å; P263-D267 PolarHBondContact O-N 3.17Å; F265-D267 VanDerWaalsContact C-N 3.35Å; F265-D267 PolarHBondContact O-N 3.37Å; D267-R270 IonicContact OD1-CZ 3.12Å; D267-R270 IonicContact OD1-NH1 2.73Å; D267-R270 PolarHBondContact OD1-NH1 3.34Å; D267-R271 VanDerWaalsContact O-CG 3.32Å; D267-R271 WeakPolarHBondContact O-CG 3.22Å; D267-R271 PolarHBondContact O-N 3.36Å; D267-R271 VanDerWaalsContact O-N 3.1Å; D267-R271 IonicContact OD1-CZ 2.76Å; D267-R271 IonicContact OD1-NE 3.73Å; D267-R271 IonicContact OD1-NH2 3.25Å; D267-R271 PolarHBondContact OD1-NH2 3.32Å; D267-R271 IonicContact OD2-CZ 2.67Å; D267-R271 IonicContact OD2-NE 2.93Å; D267-R271 PolarHBondContact OD2-NE 2.88Å; D267-R271 IonicContact OD2-NH2 3.34Å; D267-R271 PolarHBondContact OD2-NH2 2.97Å; D267-H289 WeakPolarHBondContact CB-NE2 3.34Å; D267-H289 IonicContact OD2-CE1 3.18Å; D267-H289 IonicContact OD2-NE2 3.45Å; D267-H289 PolarHBondContact OD2-NE2 2.84Å |
| 268 | F | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 171.4 | -174.8 | -76.9 | 0 | 0 | 0 | 111.3 | C136 L140 L225 E264 F265 R270 R271 S272 L286 H289 F291 V292 | C136-F268 WeakPolarHBondContact SG-CZ 3.49Å; L140-F268 HydrophobicContact CD1-CE2 4.01Å; L140-F268 HydrophobicContact CD1-CZ 3.89Å; L225-F268 HydrophobicContact CD1-CD1 3.82Å; L225-F268 HydrophobicContact CD1-CE1 3.42Å; L225-F268 VanDerWaalsContact CD1-CE1 3.42Å; L225-F268 HydrophobicContact CD1-CZ 4.41Å; E264-F268 WeakPolarHBondContact O-CB 3.26Å; E264-F268 PolarHBondContact O-N 3.29Å; F265-F268 WeakPolarHBondContact O-CB 3.38Å; F265-F268 PolarHBondContact O-N 3.43Å; F268-R270 VanDerWaalsContact C-N 3.34Å; F268-R270 PolarHBondContact O-N 2.76Å; F268-R271 PolarHBondContact O-N 3.34Å; F268-S272 VanDerWaalsContact CE1-OG 3.23Å; F268-S272 WeakPolarHBondContact CE1-OG 3.3Å; F268-S272 PolarHBondContact O-N 2.93Å; F268-S272 VanDerWaalsContact O-N 3.07Å; F268-S272 PolarHBondContact O-OG 3.21Å; F268-L286 HydrophobicContact CD2-CD2 4.05Å; F268-L286 HydrophobicContact CE1-CD2 4.42Å; F268-L286 HydrophobicContact CE2-CB 3.78Å; F268-L286 HydrophobicContact CE2-CD2 3.71Å; F268-L286 HydrophobicContact CE2-CG 4.21Å; F268-L286 HydrophobicContact CZ-CB 3.92Å; F268-L286 HydrophobicContact CZ-CD1 4.04Å; F268-L286 HydrophobicContact CZ-CD2 3.88Å; F268-L286 HydrophobicContact CZ-CG 4.15Å; F268-H289 HydrophobicContact CD2-CB 3.93Å; F268-H289 AromaticContact CD2-CG 3.87Å; F268-H289 AromaticContact CD2-ND1 3.77Å; F268-H289 HydrophobicContact CE2-CB 4.32Å; F268-H289 PolarHBondContact N-CE1 2.97Å; F268-F291 HydrophobicContact CB-CB 4.05Å; F268-F291 HydrophobicContact CB-CD1 4.04Å; F268-F291 HydrophobicContact CB-CG 4.16Å; F268-F291 HydrophobicContact CD1-CD1 4.29Å; F268-F291 HydrophobicContact CD2-CB 3.99Å; F268-F291 AromaticContact CD2-CD1 3.81Å; F268-F291 HydrophobicContact CD2-CD1 3.81Å; F268-F291 HydrophobicContact CD2-CG 4.33Å; F268-F291 HydrophobicContact CE2-CD1 4.4Å; F268-F291 HydrophobicContact CG-CB 4.3Å; F268-F291 AromaticContact CG-CD1 3.76Å; F268-F291 HydrophobicContact CG-CD1 3.76Å; F268-F291 HydrophobicContact CG-CG 4.32Å; F268-V292 HydrophobicContact CE2-CG1 4.35Å |
| 269 | L | 98 | Very high | 95 | Very high | 8 Ų | 8 | 61.3 Ų | 61.3 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 176.7 | -72.1 | 176.5 | 0 | 0 | 0 | 111 | G222 L225 I226 L255 F265 R271 S272 L273 | G222-L269 WeakPolarHBondContact O-CD2 3.49Å; L225-L269 HydrophobicContact CB-CD2 3.75Å; L225-L269 HydrophobicContact CD1-CD2 4.35Å; I226-L269 HydrophobicContact CG1-CD1 4.03Å; I226-L269 HydrophobicContact CG1-CD2 4.04Å; L255-L269 HydrophobicContact CD1-CD1 3.65Å; L255-L269 HydrophobicContact CD2-CD1 3.9Å; L255-L269 HydrophobicContact CG-CD1 3.59Å; F265-L269 HydrophobicContact CD2-CD1 4.22Å; F265-L269 HydrophobicContact CD2-CG 4.01Å; F265-L269 HydrophobicContact CE1-CD1 4.48Å; F265-L269 HydrophobicContact CE2-CD1 3.87Å; F265-L269 HydrophobicContact CE2-CD2 3.9Å; F265-L269 HydrophobicContact CE2-CG 3.73Å; F265-L269 HydrophobicContact CZ-CD1 4Å; F265-L269 HydrophobicContact CZ-CD2 4.45Å; F265-L269 HydrophobicContact CZ-CG 4.35Å; F265-L269 WeakPolarHBondContact O-CG 3.37Å; F265-L269 PolarHBondContact O-N 3.41Å; L269-R271 VanDerWaalsContact C-N 3.3Å; L269-R271 PolarHBondContact O-N 3.2Å; L269-S272 PolarHBondContact O-N 3.01Å; L269-S272 VanDerWaalsContact O-N 3.09Å; L269-L273 HydrophobicContact CB-CD1 4.43Å; L269-L273 HydrophobicContact CD2-CD1 4.49Å; L269-L273 WeakPolarHBondContact O-CB 3.43Å; L269-L273 PolarHBondContact O-N 3.11Å |
| 270 | R | 97.6 | Very high | 95.2 | Very high | 168 Ų | 168 | 55.9 Ų | 55.9 | 63% | 0.634 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -55 | -39.6 | 175.8 | 173.5 | -175.9 | 163 | -107.6 | -7.4 | 113.5 | N266 D267 F268 | N266-R270 WeakPolarHBondContact O-CB 3.49Å; N266-R270 PolarHBondContact O-N 2.86Å; D267-R270 IonicContact OD1-CZ 3.12Å; D267-R270 IonicContact OD1-NH1 2.73Å; D267-R270 PolarHBondContact OD1-NH1 3.34Å; F268-R270 VanDerWaalsContact C-N 3.34Å; F268-R270 PolarHBondContact O-N 2.76Å |
| 271 | R | 97.6 | Very high | 95.3 | Very high | 67 Ų | 67 | 50.1 Ų | 50.1 | 25% | 0.253 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -76.7 | -25.4 | 178.2 | -69.4 | 170.2 | -164.1 | -84.1 | -4.2 | 113.7 | D267 F268 L269 W281 L286 H289 | D267-R271 VanDerWaalsContact O-CG 3.32Å; D267-R271 WeakPolarHBondContact O-CG 3.22Å; D267-R271 PolarHBondContact O-N 3.36Å; D267-R271 VanDerWaalsContact O-N 3.1Å; D267-R271 IonicContact OD1-CZ 2.76Å; D267-R271 IonicContact OD1-NE 3.73Å; D267-R271 IonicContact OD1-NH2 3.25Å; D267-R271 PolarHBondContact OD1-NH2 3.32Å; D267-R271 IonicContact OD2-CZ 2.67Å; D267-R271 IonicContact OD2-NE 2.93Å; D267-R271 PolarHBondContact OD2-NE 2.88Å; D267-R271 IonicContact OD2-NH2 3.34Å; D267-R271 PolarHBondContact OD2-NH2 2.97Å; F268-R271 PolarHBondContact O-N 3.34Å; L269-R271 VanDerWaalsContact C-N 3.3Å; L269-R271 PolarHBondContact O-N 3.2Å; R271-W281 HydrophobicContact CB-CB 4.44Å; R271-W281 HydrophobicContact CB-CD2 4.27Å; R271-W281 HydrophobicContact CB-CG 4.12Å; R271-W281 HydrophobicContact CG-CD2 4.3Å; R271-W281 PolarHBondContact O-N 3.45Å; R271-W281 VanDerWaalsContact O-N 3.16Å; R271-L286 HydrophobicContact CB-CD2 4.07Å; R271-H289 WeakPolarHBondContact CD-NE2 3.35Å; R271-H289 PolarHBondContact NE-NE2 2.93Å |
| 272 | S | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -84.6 | -32.1 | 178.9 | -52.6 | 0 | 0 | 0 | 0 | 112 | F268 L269 R280 | F268-S272 VanDerWaalsContact CE1-OG 3.23Å; F268-S272 WeakPolarHBondContact CE1-OG 3.3Å; F268-S272 PolarHBondContact O-N 2.93Å; F268-S272 VanDerWaalsContact O-N 3.07Å; F268-S272 PolarHBondContact O-OG 3.21Å; L269-S272 PolarHBondContact O-N 3.01Å; L269-S272 VanDerWaalsContact O-N 3.09Å; S272-R280 WeakPolarHBondContact O-CD 3.45Å; S272-R280 WeakPolarHBondContact O-CG 3.38Å |
| 273 | L | 97.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -104.8 | 28.4 | -175.7 | -62.8 | 167.1 | 0 | 0 | 0 | 113.1 | W219 V223 I226 P252 P253 L269 K275 | W219-L273 HydrophobicContact CD2-CD2 3.68Å; W219-L273 HydrophobicContact CE3-CB 4.28Å; W219-L273 HydrophobicContact CE3-CD2 3.97Å; W219-L273 HydrophobicContact CG-CD2 4.02Å; W219-L273 HydrophobicContact CZ2-CD2 4.3Å; W219-L273 HydrophobicContact CZ3-CB 4.22Å; W219-L273 HydrophobicContact CZ3-CD2 4.39Å; W219-L273 WeakPolarHBondContact CZ3-O 3.42Å; W219-L273 WeakPolarHBondContact O-CD2 3.45Å; V223-L273 HydrophobicContact CG2-CD2 3.96Å; I226-L273 HydrophobicContact CD1-CD1 3.71Å; P252-L273 HydrophobicContact CB-CB 4.21Å; P252-L273 VanDerWaalsContact CB-O 3.29Å; P252-L273 WeakPolarHBondContact CB-O 3.46Å; P252-L273 WeakPolarHBondContact CG-O 3.35Å; P253-L273 HydrophobicContact CG-CD1 4.19Å; P253-L273 HydrophobicContact CG-CD2 4.46Å; P253-L273 WeakPolarHBondContact O-CD1 3.43Å; L269-L273 HydrophobicContact CB-CD1 4.43Å; L269-L273 HydrophobicContact CD2-CD1 4.49Å; L269-L273 WeakPolarHBondContact O-CB 3.43Å; L269-L273 PolarHBondContact O-N 3.11Å; L273-K275 PolarHBondContact O-N 3.47Å |
| 274 | D | 95.1 | Very high | 95.2 | Very high | 51 Ų | 51 | 46.3 Ų | 46.3 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | trans | -70.3 | 129 | 167.9 | -163 | -35.7 | 0 | 0 | 0 | 109.3 | N276 N279 R280 | D274-N276 VanDerWaalsContact C-N 3.26Å; D274-N276 PolarHBondContact O-N 2.79Å; D274-N276 WeakPolarHBondContact OD1-CB 3.4Å; D274-N276 PolarHBondContact OD1-N 3.42Å; D274-N279 HydrophobicContact CB-CB 4.39Å; D274-N279 WeakPolarHBondContact OD2-CB 3.49Å; D274-N279 PolarHBondContact OD2-ND2 2.88Å; D274-R280 HydrophobicContact CB-CB 4.18Å; D274-R280 PolarHBondContact O-NE 3.38Å; D274-R280 PolarHBondContact O-NH2 3.46Å | ||
| 275 | K | 90.9 | Very high | 95.1 | Very high | 59 Ų | 59 | 46.4 Ų | 46.4 | 26% | 0.257 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -69.3 | -26.7 | 177.3 | -54.7 | -165.9 | 72.1 | 171.8 | 0 | 111.8 | P199 W219 I247 A248 S250 P252 L273 V277 | P199-K275 HydrophobicContact CG-CB 4.36Å; P199-K275 HydrophobicContact CG-CG 4.25Å; W219-K275 HydrophobicContact CH2-CG 4.19Å; W219-K275 HydrophobicContact CZ3-CG 4.02Å; I247-K275 WeakPolarHBondContact O-CE 3.29Å; I247-K275 PolarHBondContact O-NZ 3.27Å; A248-K275 PolarHBondContact O-NZ 2.88Å; S250-K275 PolarHBondContact O-NZ 3.27Å; P252-K275 HydrophobicContact CG-CD 4.45Å; P252-K275 HydrophobicContact CG-CG 3.92Å; L273-K275 PolarHBondContact O-N 3.47Å; K275-V277 PolarHBondContact O-N 3.21Å |
| 276 | N | 88.6 | Confident | 95.1 | Very high | 64 Ų | 64 | 46.4 Ų | 46.4 | 34% | 0.342 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -80.8 | 110.2 | 173 | -176.9 | 14.4 | 0 | 0 | 0 | 110 | D274 D278 N279 R280 | D274-N276 VanDerWaalsContact C-N 3.26Å; D274-N276 PolarHBondContact O-N 2.79Å; D274-N276 WeakPolarHBondContact OD1-CB 3.4Å; D274-N276 PolarHBondContact OD1-N 3.42Å; N276-D278 PolarHBondContact O-N 3.05Å; N276-D278 PolarHBondContact OD1-N 3.18Å; N276-N279 HydrophobicContact CB-CB 4.1Å; N276-N279 PolarHBondContact ND2-ND2 3.41Å; N276-N279 PolarHBondContact ND2-OD1 3.3Å; N276-N279 PolarHBondContact O-N 3.33Å; N276-R280 PolarHBondContact O-N 3.08Å |
| 277 | V | 88.4 | Confident | 95.1 | Very high | 20 Ų | 20 | 46.5 Ų | 46.5 | 12% | 0.121 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -36.6 | 177.3 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | E200 K215 K275 N279 | E200-V277 HydrophobicContact CB-CG2 3.95Å; E200-V277 VanDerWaalsContact CD-CG2 3.45Å; E200-V277 HydrophobicContact CG-CG2 3.67Å; K215-V277 HydrophobicContact CB-CG1 4.1Å; K215-V277 HydrophobicContact CD-CG1 3.86Å; K215-V277 WeakPolarHBondContact CD-O 3.45Å; K275-V277 PolarHBondContact O-N 3.21Å; V277-N279 VanDerWaalsContact C-N 3.33Å; V277-N279 PolarHBondContact O-N 3.29Å |
| 278 | D | 87.3 | Confident | 95.1 | Very high | 114 Ų | 114 | 51.7 Ų | 51.7 | 61% | 0.61 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -23.8 | -177.4 | -58.8 | -62 | 0 | 0 | 0 | 112.5 | R210 N276 | R210-D278 IonicContact NH2-OD2 2.93Å; R210-D278 PolarHBondContact NH2-OD2 2.81Å; N276-D278 PolarHBondContact O-N 3.05Å; N276-D278 PolarHBondContact OD1-N 3.18Å |
| 279 | N | 93.4 | Very high | 95.1 | Very high | 93 Ų | 93 | 52.2 Ų | 52.2 | 50% | 0.497 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -34.7 | 173.4 | -70.4 | -9.3 | 0 | 0 | 0 | 113.2 | D274 N276 V277 W281 | D274-N279 HydrophobicContact CB-CB 4.39Å; D274-N279 WeakPolarHBondContact OD2-CB 3.49Å; D274-N279 PolarHBondContact OD2-ND2 2.88Å; N276-N279 HydrophobicContact CB-CB 4.1Å; N276-N279 PolarHBondContact ND2-ND2 3.41Å; N276-N279 PolarHBondContact ND2-OD1 3.3Å; N276-N279 PolarHBondContact O-N 3.33Å; V277-N279 VanDerWaalsContact C-N 3.33Å; V277-N279 PolarHBondContact O-N 3.29Å; N279-W281 PolarHBondContact O-N 2.95Å |
| 280 | R | 95.6 | Very high | 95 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -56.1 | 132.9 | -176.4 | -166.3 | -173.7 | -57.5 | 151.7 | 8.2 | 109.8 | E200 K215 I218 S272 D274 N276 | E200-R280 IonicContact OE1-CZ 2.81Å; E200-R280 IonicContact OE1-NH1 3.65Å; E200-R280 PolarHBondContact OE1-NH1 3.38Å; E200-R280 IonicContact OE1-NH2 3.33Å; E200-R280 PolarHBondContact OE1-NH2 3.44Å; E200-R280 IonicContact OE2-CZ 3.18Å; E200-R280 IonicContact OE2-NH1 3.46Å; E200-R280 PolarHBondContact OE2-NH1 3.44Å; E200-R280 IonicContact OE2-NH2 3.73Å; E200-R280 PolarHBondContact OE2-NH2 3.33Å; K215-R280 PolarHBondContact NZ-O 2.82Å; K215-R280 WeakPolarHBondContact O-CD 3.22Å; K215-R280 PolarHBondContact O-NH1 3.32Å; I218-R280 HydrophobicContact CG2-CG 4.28Å; S272-R280 WeakPolarHBondContact O-CD 3.45Å; S272-R280 WeakPolarHBondContact O-CG 3.38Å; D274-R280 HydrophobicContact CB-CB 4.18Å; D274-R280 PolarHBondContact O-NE 3.38Å; D274-R280 PolarHBondContact O-NH2 3.46Å; N276-R280 PolarHBondContact O-N 3.08Å |
| 281 | W | 96.7 | Very high | 95 | Very high | 77 Ų | 77 | 47.5 Ų | 47.5 | 29% | 0.292 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -69.2 | 155.4 | -175.8 | -80.2 | 22.5 | 0 | 0 | 0 | 112.1 | R271 N279 Q285 L286 | R271-W281 HydrophobicContact CB-CB 4.44Å; R271-W281 HydrophobicContact CB-CD2 4.27Å; R271-W281 HydrophobicContact CB-CG 4.12Å; R271-W281 HydrophobicContact CG-CD2 4.3Å; R271-W281 PolarHBondContact O-N 3.45Å; R271-W281 VanDerWaalsContact O-N 3.16Å; N279-W281 PolarHBondContact O-N 2.95Å; W281-Q285 HydrophobicContact CB-CB 4.09Å; W281-Q285 HydrophobicContact CD2-CB 4Å; W281-Q285 HydrophobicContact CE3-CB 3.75Å; W281-Q285 HydrophobicContact CG-CB 4.2Å; W281-Q285 HydrophobicContact CZ3-CB 4.4Å; W281-L286 HydrophobicContact CB-CD1 4.37Å; W281-L286 HydrophobicContact CB-CD2 3.94Å; W281-L286 HydrophobicContact CB-CG 3.81Å; W281-L286 HydrophobicContact CE3-CD2 4.04Å; W281-L286 HydrophobicContact CE3-CG 4.5Å |
| 282 | S | 94.8 | Very high | 94.9 | Very high | 18 Ų | 18 | 44.3 Ų | 44.3 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -82.7 | 164.9 | 168.6 | 69.1 | 0 | 0 | 0 | 0 | 111.5 | T284 Q285 L286 | S282-T284 VanDerWaalsContact C-N 3.3Å; S282-T284 PolarHBondContact O-N 3.01Å; S282-Q285 PolarHBondContact O-N 3.18Å; S282-Q285 VanDerWaalsContact O-N 3.08Å; S282-Q285 WeakPolarHBondContact OG-CG 3.27Å; S282-Q285 PolarHBondContact OG-N 2.69Å; S282-Q285 PolarHBondContact OG-OE1 3.49Å; S282-L286 WeakPolarHBondContact O-CG 3.46Å; S282-L286 PolarHBondContact O-N 2.86Å |
| 283 | S | 95.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -52.8 | -46.8 | 171.7 | 42.8 | 0 | 0 | 0 | 0 | 111.7 | T144 H147 Q285 L286 L287 | T144-S283 WeakPolarHBondContact OG1-CB 3.47Å; T144-S283 PolarHBondContact OG1-OG 2.94Å; H147-S283 PolarHBondContact ND1-OG 3.35Å; S283-Q285 VanDerWaalsContact C-N 3.3Å; S283-Q285 PolarHBondContact O-N 2.88Å; S283-L286 PolarHBondContact O-N 2.8Å; S283-L287 WeakPolarHBondContact O-CG 3.41Å; S283-L287 PolarHBondContact O-N 2.7Å |
| 284 | T | 95.7 | Very high | 94.2 | Very high | 68 Ų | 68 | 51.5 Ų | 51.5 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.4 | -34.3 | 175.6 | -31.1 | 0 | 0 | 0 | 0 | 113.9 | S282 | S282-T284 VanDerWaalsContact C-N 3.3Å; S282-T284 PolarHBondContact O-N 3.01Å |
| 285 | Q | 97 | Very high | 94 | Very high | 82 Ų | 82 | 50 Ų | 50 | 38% | 0.383 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -77.1 | -39 | 176.3 | -70.4 | 172.6 | -55.8 | 0 | 0 | 111.5 | W281 S282 S283 Q288 | W281-Q285 HydrophobicContact CB-CB 4.09Å; W281-Q285 HydrophobicContact CD2-CB 4Å; W281-Q285 HydrophobicContact CE3-CB 3.75Å; W281-Q285 HydrophobicContact CG-CB 4.2Å; W281-Q285 HydrophobicContact CZ3-CB 4.4Å; S282-Q285 PolarHBondContact O-N 3.18Å; S282-Q285 VanDerWaalsContact O-N 3.08Å; S282-Q285 WeakPolarHBondContact OG-CG 3.27Å; S282-Q285 PolarHBondContact OG-N 2.69Å; S282-Q285 PolarHBondContact OG-OE1 3.49Å; S283-Q285 VanDerWaalsContact C-N 3.3Å; S283-Q285 PolarHBondContact O-N 2.88Å; Q285-Q288 PolarHBondContact O-N 2.91Å |
| 286 | L | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.1 | -30.2 | 178.3 | -72 | 171 | 0 | 0 | 0 | 112.6 | L140 I218 F268 R271 W281 S282 S283 Q288 H289 V292 | L140-L286 HydrophobicContact CD1-CB 3.96Å; L140-L286 HydrophobicContact CD2-CB 3.72Å; L140-L286 HydrophobicContact CD2-CD1 4.15Å; I218-L286 HydrophobicContact CD1-CD1 4.49Å; I218-L286 HydrophobicContact CG2-CD1 3.42Å; I218-L286 VanDerWaalsContact CG2-CD1 3.42Å; F268-L286 HydrophobicContact CD2-CD2 4.05Å; F268-L286 HydrophobicContact CE1-CD2 4.42Å; F268-L286 HydrophobicContact CE2-CB 3.78Å; F268-L286 HydrophobicContact CE2-CD2 3.71Å; F268-L286 HydrophobicContact CE2-CG 4.21Å; F268-L286 HydrophobicContact CZ-CB 3.92Å; F268-L286 HydrophobicContact CZ-CD1 4.04Å; F268-L286 HydrophobicContact CZ-CD2 3.88Å; F268-L286 HydrophobicContact CZ-CG 4.15Å; R271-L286 HydrophobicContact CB-CD2 4.07Å; W281-L286 HydrophobicContact CB-CD1 4.37Å; W281-L286 HydrophobicContact CB-CD2 3.94Å; W281-L286 HydrophobicContact CB-CG 3.81Å; W281-L286 HydrophobicContact CE3-CD2 4.04Å; W281-L286 HydrophobicContact CE3-CG 4.5Å; S282-L286 WeakPolarHBondContact O-CG 3.46Å; S282-L286 PolarHBondContact O-N 2.86Å; S283-L286 PolarHBondContact O-N 2.8Å; L286-Q288 PolarHBondContact O-N 3.34Å; L286-H289 WeakPolarHBondContact O-CB 3.16Å; L286-H289 PolarHBondContact O-N 2.83Å; L286-V292 WeakPolarHBondContact O-CG2 3.4Å |
| 287 | L | 96.8 | Very high | 93.7 | Very high | 43 Ų | 43 | 54.5 Ų | 54.5 | 23% | 0.225 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -21.5 | 169.9 | -76.4 | 173.3 | 0 | 0 | 0 | 113.7 | K137 L140 E141 T144 S283 T293 | K137-L287 HydrophobicContact CG-CD2 4.42Å; L140-L287 HydrophobicContact CB-CD2 3.48Å; L140-L287 VanDerWaalsContact CB-CD2 3.48Å; L140-L287 HydrophobicContact CB-CG 3.85Å; L140-L287 HydrophobicContact CD1-CD2 4.02Å; L140-L287 HydrophobicContact CD1-CG 4.32Å; L140-L287 HydrophobicContact CG-CD2 4.42Å; E141-L287 HydrophobicContact CG-CD1 4.33Å; E141-L287 HydrophobicContact CG-CD2 3.81Å; T144-L287 WeakPolarHBondContact OG1-CD1 3.49Å; S283-L287 WeakPolarHBondContact O-CG 3.41Å; S283-L287 PolarHBondContact O-N 2.7Å; L287-T293 VanDerWaalsContact O-CG2 3.26Å; L287-T293 WeakPolarHBondContact O-CG2 3.35Å |
| 288 | Q | 96.9 | Very high | 93.9 | Very high | 147 Ų | 147 | 54.4 Ų | 54.4 | 69% | 0.687 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 3.5 | 176 | -58.4 | 177.4 | 20.5 | 0 | 0 | 112.7 | Q285 L286 T293 | Q285-Q288 PolarHBondContact O-N 2.91Å; L286-Q288 PolarHBondContact O-N 3.34Å; Q288-T293 VanDerWaalsContact C-CG2 3.49Å |
| 289 | H | 97.9 | Very high | 94.1 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 5% | 0.046 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -80.4 | 137.1 | -177.4 | -165.3 | -86.6 | 0 | 0 | 0 | 111.8 | E264 D267 F268 R271 L286 F291 V292 T293 | E264-H289 WeakPolarHBondContact CA-CE1 3.33Å; E264-H289 PolarHBondContact O-CE1 3.42Å; D267-H289 WeakPolarHBondContact CB-NE2 3.34Å; D267-H289 IonicContact OD2-CE1 3.18Å; D267-H289 IonicContact OD2-NE2 3.45Å; D267-H289 PolarHBondContact OD2-NE2 2.84Å; F268-H289 HydrophobicContact CD2-CB 3.93Å; F268-H289 AromaticContact CD2-CG 3.87Å; F268-H289 AromaticContact CD2-ND1 3.77Å; F268-H289 HydrophobicContact CE2-CB 4.32Å; F268-H289 PolarHBondContact N-CE1 2.97Å; R271-H289 WeakPolarHBondContact CD-NE2 3.35Å; R271-H289 PolarHBondContact NE-NE2 2.93Å; L286-H289 WeakPolarHBondContact O-CB 3.16Å; L286-H289 PolarHBondContact O-N 2.83Å; H289-F291 WeakPolarHBondContact ND1-CB 3.5Å; H289-F291 PolarHBondContact ND1-N 3.5Å; H289-F291 PolarHBondContact O-N 2.84Å; H289-V292 WeakPolarHBondContact O-CG2 3.31Å; H289-V292 PolarHBondContact O-N 3.02Å; H289-T293 WeakPolarHBondContact O-CG2 3.43Å; H289-T293 PolarHBondContact O-N 2.91Å; H289-T293 VanDerWaalsContact O-N 3.11Å; H289-T293 PolarHBondContact O-OG1 2.86Å |
| 290 | P | 96.6 | Very high | 94.2 | Very high | 77 Ų | 77 | 51.6 Ų | 51.6 | 50% | 0.5 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -50.2 | -27.3 | -179.6 | -31.5 | 36.7 | 0 | 0 | 0 | 115.7 | E264 V292 T293 S294 | E264-P290 HydrophobicContact CG-CB 4.08Å; P290-V292 VanDerWaalsContact C-N 3.34Å; P290-V292 PolarHBondContact O-N 3.07Å; P290-T293 WeakPolarHBondContact CA-OG1 3.48Å; P290-S294 PolarHBondContact O-OG 2.88Å |
| 291 | F | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.5 | -41.5 | 175.9 | -176.4 | -119.3 | 0 | 0 | 0 | 112.8 | E129 I132 R133 C136 E264 F265 F268 H289 | E129-F291 HydrophobicContact CG-CE2 3.92Å; E129-F291 HydrophobicContact CG-CZ 4.46Å; I132-F291 HydrophobicContact CG2-CE1 4.49Å; I132-F291 HydrophobicContact CG2-CZ 4.09Å; R133-F291 WeakPolarHBondContact CD-O 3.43Å; R133-F291 HydrophobicContact CG-CD2 3.9Å; R133-F291 HydrophobicContact CG-CE1 4.18Å; R133-F291 HydrophobicContact CG-CE2 3.48Å; R133-F291 VanDerWaalsContact CG-CE2 3.48Å; R133-F291 HydrophobicContact CG-CG 4.4Å; R133-F291 HydrophobicContact CG-CZ 3.64Å; R133-F291 VanDerWaalsContact CG-O 3.27Å; R133-F291 WeakPolarHBondContact CG-O 3.35Å; R133-F291 PolarHBondContact NE-O 2.86Å; C136-F291 HydrophobicContact CB-CE1 4.08Å; E264-F291 HydrophobicContact CB-CB 4.22Å; E264-F291 HydrophobicContact CB-CD2 4.44Å; F265-F291 HydrophobicContact CB-CD2 3.77Å; F265-F291 HydrophobicContact CB-CE2 3.45Å; F265-F291 VanDerWaalsContact CB-CE2 3.45Å; F265-F291 HydrophobicContact CB-CZ 4.07Å; F265-F291 HydrophobicContact CD1-CE2 4.49Å; F265-F291 HydrophobicContact CD1-CZ 4.49Å; F265-F291 HydrophobicContact CD2-CD1 4.34Å; F265-F291 HydrophobicContact CD2-CD2 4.32Å; F265-F291 AromaticContact CD2-CE1 3.7Å; F265-F291 HydrophobicContact CD2-CE1 3.7Å; F265-F291 AromaticContact CD2-CE2 3.69Å; F265-F291 HydrophobicContact CD2-CE2 3.69Å; F265-F291 AromaticContact CD2-CZ 3.33Å; F265-F291 HydrophobicContact CD2-CZ 3.33Å; F265-F291 HydrophobicContact CE2-CE1 4.11Å; F265-F291 AromaticContact CE2-CZ 3.86Å; F265-F291 HydrophobicContact CE2-CZ 3.86Å; F265-F291 HydrophobicContact CG-CD2 4.34Å; F265-F291 HydrophobicContact CG-CE1 4.48Å; F265-F291 AromaticContact CG-CE2 3.64Å; F265-F291 HydrophobicContact CG-CE2 3.64Å; F265-F291 AromaticContact CG-CZ 3.72Å; F265-F291 HydrophobicContact CG-CZ 3.72Å; F268-F291 HydrophobicContact CB-CB 4.05Å; F268-F291 HydrophobicContact CB-CD1 4.04Å; F268-F291 HydrophobicContact CB-CG 4.16Å; F268-F291 HydrophobicContact CD1-CD1 4.29Å; F268-F291 HydrophobicContact CD2-CB 3.99Å; F268-F291 AromaticContact CD2-CD1 3.81Å; F268-F291 HydrophobicContact CD2-CD1 3.81Å; F268-F291 HydrophobicContact CD2-CG 4.33Å; F268-F291 HydrophobicContact CE2-CD1 4.4Å; F268-F291 HydrophobicContact CG-CB 4.3Å; F268-F291 AromaticContact CG-CD1 3.76Å; F268-F291 HydrophobicContact CG-CD1 3.76Å; F268-F291 HydrophobicContact CG-CG 4.32Å; H289-F291 WeakPolarHBondContact ND1-CB 3.5Å; H289-F291 PolarHBondContact ND1-N 3.5Å; H289-F291 PolarHBondContact O-N 2.84Å |
| 292 | V | 96.1 | Very high | 94 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -107.3 | -26 | -174.8 | -67.9 | 0 | 0 | 0 | 0 | 114.5 | C136 K137 L140 F268 L286 H289 P290 S294 V295 | C136-V292 HydrophobicContact CB-CG1 3.9Å; C136-V292 VanDerWaalsContact SG-CG1 3.57Å; K137-V292 HydrophobicContact CB-CB 4.07Å; K137-V292 HydrophobicContact CB-CG1 4.2Å; K137-V292 HydrophobicContact CG-CB 4.5Å; L140-V292 HydrophobicContact CD1-CG1 4.28Å; L140-V292 HydrophobicContact CD1-CG2 4.18Å; F268-V292 HydrophobicContact CE2-CG1 4.35Å; L286-V292 WeakPolarHBondContact O-CG2 3.4Å; H289-V292 WeakPolarHBondContact O-CG2 3.31Å; H289-V292 PolarHBondContact O-N 3.02Å; P290-V292 VanDerWaalsContact C-N 3.34Å; P290-V292 PolarHBondContact O-N 3.07Å; V292-S294 PolarHBondContact O-N 3.19Å; V292-V295 WeakPolarHBondContact O-CB 3.3Å; V292-V295 PolarHBondContact O-N 2.89Å |
| 293 | T | 93.8 | Very high | 93.8 | Very high | 82 Ų | 82 | 52.6 Ų | 52.6 | 50% | 0.503 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -18 | -177.7 | 53.2 | 0 | 0 | 0 | 0 | 114.1 | L287 Q288 H289 P290 | L287-T293 VanDerWaalsContact O-CG2 3.26Å; L287-T293 WeakPolarHBondContact O-CG2 3.35Å; Q288-T293 VanDerWaalsContact C-CG2 3.49Å; H289-T293 WeakPolarHBondContact O-CG2 3.43Å; H289-T293 PolarHBondContact O-N 2.91Å; H289-T293 VanDerWaalsContact O-N 3.11Å; H289-T293 PolarHBondContact O-OG1 2.86Å; P290-T293 WeakPolarHBondContact CA-OG1 3.48Å |
| 294 | S | 87 | Confident | 93.6 | Very high | 72 Ų | 72 | 52.4 Ų | 52.4 | 50% | 0.503 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -9.4 | 177.1 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | P290 V292 T296 | P290-S294 PolarHBondContact O-OG 2.88Å; V292-S294 PolarHBondContact O-N 3.19Å; S294-T296 PolarHBondContact O-N 2.85Å |
| 295 | V | 90.3 | Very high | 93.4 | Very high | 19 Ų | 19 | 49.4 Ų | 49.4 | 12% | 0.115 | 26% | 0.262 | C | S | . | . | trans | -79.1 | 118.1 | -178.9 | 179.5 | 0 | 0 | 0 | 0 | 111 | R133 V134 K137 V292 | R133-V295 HydrophobicContact CB-CG2 3.64Å; V134-V295 HydrophobicContact CB-CG1 4.47Å; V134-V295 HydrophobicContact CG2-CG1 3.91Å; K137-V295 HydrophobicContact CD-CB 3.76Å; K137-V295 HydrophobicContact CD-CG1 4.04Å; K137-V295 PolarHBondContact NZ-O 2.73Å; V292-V295 WeakPolarHBondContact O-CB 3.3Å; V292-V295 PolarHBondContact O-N 2.89Å | ||
| 296 | T | 84 | Confident | 93 | Very high | 131 Ų | 131 | 46.4 Ų | 46.4 | 80% | 0.804 | 25% | 0.251 | S | S | * | . | trans | -115.7 | -18 | -177.6 | 46.6 | 0 | 0 | 0 | 0 | 114.5 | S294 | S294-T296 PolarHBondContact O-N 2.85Š| ||
| 297 | D | 88.3 | Confident | 92.5 | Very high | 86 Ų | 86 | 47 Ų | 47 | 46% | 0.46 | 25% | 0.254 | S | S | . | . | trans | -146.1 | 170.7 | 178.6 | 68.9 | 62.1 | 0 | 0 | 0 | 112.8 | R299 | D297-R299 WeakPolarHBondContact OD1-CA 3.47Å; D297-R299 WeakPolarHBondContact OD1-CB 3.18Å; D297-R299 PolarHBondContact OD1-N 2.92Å | ||
| 298 | S | 92.4 | Very high | 91.9 | Very high | 18 Ų | 18 | 46 Ų | 46 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -95.7 | 5.6 | 178.1 | 60.7 | 0 | 0 | 0 | 0 | 114.5 | D166 G167 P300 L301 R302 | D166-S298 PolarHBondContact O-OG 3.09Å; G167-S298 WeakPolarHBondContact O-CB 3.26Å; S298-P300 VanDerWaalsContact C-CD 3.45Å; S298-L301 PolarHBondContact O-N 2.77Å; S298-R302 PolarHBondContact O-N 3.24Å; S298-R302 VanDerWaalsContact O-N 3.11Å; S298-R302 PolarHBondContact OG-NH1 2.75Å |
| 299 | R | 92.4 | Very high | 91.1 | Very high | 122 Ų | 122 | 44.2 Ų | 44.2 | 46% | 0.46 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -55.7 | -40 | -171.3 | -177.1 | -176.8 | 159.9 | 160.8 | 2.9 | 113.8 | D297 L301 R302 E303 | D297-R299 WeakPolarHBondContact OD1-CA 3.47Å; D297-R299 WeakPolarHBondContact OD1-CB 3.18Å; D297-R299 PolarHBondContact OD1-N 2.92Å; R299-L301 PolarHBondContact O-N 2.96Å; R299-L301 VanDerWaalsContact O-N 3.16Å; R299-R302 PolarHBondContact O-N 3.47Å; R299-R302 VanDerWaalsContact O-N 3.12Å; R299-E303 HydrophobicContact CG-CG 4.28Å; R299-E303 IonicContact CZ-OE1 2.69Å; R299-E303 IonicContact NE-OE1 2.65Å; R299-E303 PolarHBondContact NE-OE1 3.48Å; R299-E303 IonicContact NH2-OE1 3.76Å; R299-E303 PolarHBondContact NH2-OE1 2.83Å; R299-E303 WeakPolarHBondContact O-CG 3.41Å; R299-E303 PolarHBondContact O-N 2.92Å |
| 300 | P | 94.8 | Very high | 90.3 | Very high | 27 Ų | 27 | 44.4 Ų | 44.4 | 18% | 0.175 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.1 | -28.9 | 176.2 | -26.1 | 35.4 | 0 | 0 | 0 | 113.9 | P130 Q131 V134 S298 L304 | P130-P300 HydrophobicContact CB-CB 4.31Å; P130-P300 HydrophobicContact CB-CG 4.28Å; Q131-P300 HydrophobicContact CG-CB 3.86Å; Q131-P300 VanDerWaalsContact CG-O 3.25Å; Q131-P300 WeakPolarHBondContact CG-O 3.42Å; Q131-P300 PolarHBondContact NE2-O 3.4Å; Q131-P300 VanDerWaalsContact NE2-O 3.12Å; V134-P300 HydrophobicContact CG2-CB 4.35Å; V134-P300 HydrophobicContact CG2-CG 4.13Å; S298-P300 VanDerWaalsContact C-CD 3.45Å; P300-L304 WeakPolarHBondContact O-CB 3.45Å; P300-L304 PolarHBondContact O-N 2.86Å |
| 301 | L | 94.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -85.3 | -35.2 | 175.1 | -61.7 | -173.7 | 0 | 0 | 0 | 112.5 | Q131 V134 V135 L163 G167 V169 S298 R299 E303 L304 I305 | Q131-L301 HydrophobicContact CB-CD2 3.93Å; Q131-L301 HydrophobicContact CG-CD2 4.11Å; V134-L301 HydrophobicContact CB-CD1 3.84Å; V134-L301 HydrophobicContact CB-CG 3.94Å; V134-L301 HydrophobicContact CG1-CD1 3.45Å; V134-L301 VanDerWaalsContact CG1-CD1 3.45Å; V134-L301 HydrophobicContact CG1-CG 3.86Å; V135-L301 HydrophobicContact CG2-CD1 3.79Å; V135-L301 HydrophobicContact CG2-CD2 3.95Å; L163-L301 HydrophobicContact CD2-CD1 4.09Å; G167-L301 WeakPolarHBondContact O-CD1 3.36Å; V169-L301 HydrophobicContact CG2-CD1 4.45Å; S298-L301 PolarHBondContact O-N 2.77Å; R299-L301 PolarHBondContact O-N 2.96Å; R299-L301 VanDerWaalsContact O-N 3.16Å; L301-E303 VanDerWaalsContact C-N 3.31Å; L301-E303 PolarHBondContact O-N 3.44Å; L301-L304 HydrophobicContact CD2-CD2 3.94Å; L301-L304 WeakPolarHBondContact O-CB 3.5Å; L301-L304 PolarHBondContact O-N 3.48Å; L301-I305 WeakPolarHBondContact O-CD1 3.19Å; L301-I305 WeakPolarHBondContact O-CG1 3.12Å; L301-I305 PolarHBondContact O-N 2.98Å |
| 302 | R | 93.5 | Very high | 86.7 | Confident | 61 Ų | 61 | 51.9 Ų | 51.9 | 23% | 0.23 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58 | -44.9 | 168.5 | -68.7 | -152.4 | -64.5 | -82.6 | 2.9 | 111.6 | D166 S298 R299 I305 A306 V748 D749 | D166-R302 VanDerWaalsContact C-CG 3.42Å; D166-R302 WeakPolarHBondContact O-CD 3.46Å; D166-R302 WeakPolarHBondContact O-CG 3.47Å; S298-R302 PolarHBondContact O-N 3.24Å; S298-R302 VanDerWaalsContact O-N 3.11Å; S298-R302 PolarHBondContact OG-NH1 2.75Å; R299-R302 PolarHBondContact O-N 3.47Å; R299-R302 VanDerWaalsContact O-N 3.12Å; R302-I305 PolarHBondContact O-N 3.29Å; R302-A306 VanDerWaalsContact O-CB 3.22Å; R302-A306 WeakPolarHBondContact O-CB 3.47Å; R302-A306 PolarHBondContact O-N 2.89Å; R302-V748 HydrophobicContact CB-CG1 4.35Å; R302-D749 IonicContact CZ-OD1 3.59Å; R302-D749 IonicContact CZ-OD2 2.73Å; R302-D749 IonicContact NE-OD1 2.83Å; R302-D749 PolarHBondContact NE-OD1 3.18Å; R302-D749 IonicContact NE-OD2 3.65Å; R302-D749 VanDerWaalsContact NH2-CG 3.3Å; R302-D749 IonicContact NH2-OD1 3.87Å; R302-D749 PolarHBondContact NH2-OD1 2.73Å; R302-D749 VanDerWaalsContact NH2-OD1 3.09Å; R302-D749 IonicContact NH2-OD2 2.7Å; R302-D749 PolarHBondContact NH2-OD2 3.24Å |
| 303 | E | 91.2 | Very high | 84.6 | Confident | 55 Ų | 55 | 55.2 Ų | 55.2 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 175.5 | -71.6 | 175.8 | 166.5 | 0 | 0 | 112.1 | R299 L301 E307 V748 | R299-E303 HydrophobicContact CG-CG 4.28Å; R299-E303 IonicContact CZ-OE1 2.69Å; R299-E303 IonicContact NE-OE1 2.65Å; R299-E303 PolarHBondContact NE-OE1 3.48Å; R299-E303 IonicContact NH2-OE1 3.76Å; R299-E303 PolarHBondContact NH2-OE1 2.83Å; R299-E303 WeakPolarHBondContact O-CG 3.41Å; R299-E303 PolarHBondContact O-N 2.92Å; L301-E303 VanDerWaalsContact C-N 3.31Å; L301-E303 PolarHBondContact O-N 3.44Å; E303-E307 WeakPolarHBondContact O-CB 3.36Å; E303-E307 PolarHBondContact O-N 2.78Å; E303-V748 HydrophobicContact CG-CG1 4.13Å; E303-V748 HydrophobicContact CG-CG2 4.16Å |
| 304 | L | 92.3 | Very high | 83 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 175.7 | -175.3 | 67.1 | 0 | 0 | 0 | 112.7 | I119 L123 R125 L127 Q131 P300 L301 E307 A308 | I119-L304 HydrophobicContact CG2-CD1 4.13Å; I119-L304 HydrophobicContact CG2-CD2 3.97Å; I119-L304 HydrophobicContact CG2-CG 3.81Å; L123-L304 HydrophobicContact CD1-CD1 3.39Å; L123-L304 HydrophobicContact CD1-CG 4.28Å; R125-L304 VanDerWaalsContact NH2-CD1 3.33Å; L127-L304 HydrophobicContact CD1-CD2 4.1Å; L127-L304 HydrophobicContact CD2-CD2 4.07Å; L127-L304 HydrophobicContact CG-CD2 3.87Å; Q131-L304 HydrophobicContact CG-CB 4.42Å; Q131-L304 HydrophobicContact CG-CD2 4.4Å; P300-L304 WeakPolarHBondContact O-CB 3.45Å; P300-L304 PolarHBondContact O-N 2.86Å; L301-L304 HydrophobicContact CD2-CD2 3.94Å; L301-L304 WeakPolarHBondContact O-CB 3.5Å; L301-L304 PolarHBondContact O-N 3.48Å; L304-E307 PolarHBondContact O-N 2.94Å; L304-A308 WeakPolarHBondContact O-CB 3.37Å; L304-A308 PolarHBondContact O-N 2.72Å |
| 305 | I | 91.1 | Very high | 81.4 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.7 | -38 | -178.2 | -63.5 | 163.9 | 0 | 0 | 0 | 110.5 | I119 L163 S164 L165 L301 R302 A308 K309 | I119-I305 HydrophobicContact CD1-CG1 4.37Å; L163-I305 HydrophobicContact CB-CD1 3.72Å; L163-I305 HydrophobicContact CB-CG1 4.42Å; L163-I305 HydrophobicContact CD1-CD1 3.74Å; L163-I305 HydrophobicContact CD1-CG1 3.81Å; L163-I305 HydrophobicContact CG-CD1 4.37Å; S164-I305 WeakPolarHBondContact O-CD1 3.32Å; L165-I305 HydrophobicContact CD2-CG2 4.26Å; L301-I305 WeakPolarHBondContact O-CD1 3.19Å; L301-I305 WeakPolarHBondContact O-CG1 3.12Å; L301-I305 PolarHBondContact O-N 2.98Å; R302-I305 PolarHBondContact O-N 3.29Å; I305-A308 PolarHBondContact O-N 2.78Å; I305-K309 HydrophobicContact CG2-CD 4.05Å; I305-K309 WeakPolarHBondContact O-CB 3.39Å; I305-K309 WeakPolarHBondContact O-CG 3.1Å; I305-K309 PolarHBondContact O-N 2.73Å; I305-K309 VanDerWaalsContact O-N 3.08Å |
| 306 | A | 87.6 | Confident | 79.5 | Confident | 19 Ų | 19 | 62.4 Ų | 62.4 | 16% | 0.157 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.9 | -36.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R302 K309 A310 F746 V748 | R302-A306 VanDerWaalsContact O-CB 3.22Å; R302-A306 WeakPolarHBondContact O-CB 3.47Å; R302-A306 PolarHBondContact O-N 2.89Å; A306-K309 PolarHBondContact O-N 2.94Å; A306-A310 WeakPolarHBondContact O-CB 3.44Å; A306-A310 PolarHBondContact O-N 3.05Å; A306-A310 VanDerWaalsContact O-N 3.08Å; A306-F746 HydrophobicContact CB-CB 4.21Å; A306-F746 HydrophobicContact CB-CD2 3.32Å; A306-F746 HydrophobicContact CB-CE2 3.77Å; A306-F746 HydrophobicContact CB-CG 3.94Å; A306-V748 HydrophobicContact CB-CG2 4.02Å |
| 307 | E | 87.2 | Confident | 78 | Confident | 13 Ų | 13 | 60.9 Ų | 60.9 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63 | -47 | 170 | -169.5 | -166.3 | 161.5 | 0 | 0 | 111.6 | L123 R125 E303 L304 K309 A310 R744 F746 | L123-E307 HydrophobicContact CD2-CB 4.33Å; L123-E307 HydrophobicContact CD2-CG 3.86Å; R125-E307 IonicContact CZ-OE2 3.69Å; R125-E307 IonicContact NE-OE1 2.68Å; R125-E307 IonicContact NE-OE2 3.66Å; R125-E307 IonicContact NH2-OE2 3.89Å; R125-E307 PolarHBondContact NH2-OE2 2.72Å; E303-E307 WeakPolarHBondContact O-CB 3.36Å; E303-E307 PolarHBondContact O-N 2.78Å; L304-E307 PolarHBondContact O-N 2.94Å; E307-K309 PolarHBondContact O-N 2.81Å; E307-A310 WeakPolarHBondContact O-CB 3.47Å; E307-A310 PolarHBondContact O-N 3.07Å; E307-R744 WeakPolarHBondContact O-CD 3.38Å; E307-R744 PolarHBondContact O-NE 2.84Å; E307-R744 IonicContact OE1-CZ 3.33Å; E307-R744 IonicContact OE1-NH1 3.99Å; E307-R744 PolarHBondContact OE1-NH1 3.42Å; E307-F746 HydrophobicContact CB-CE1 3.82Å; E307-F746 HydrophobicContact CB-CZ 3.95Å; E307-F746 HydrophobicContact CG-CE1 4.11Å |
| 308 | A | 84.2 | Confident | 75.9 | Confident | 22 Ų | 22 | 61 Ų | 61 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.5 | -17.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | I119 L123 L304 I305 | I119-A308 HydrophobicContact CG2-CB 4.23Å; L123-A308 HydrophobicContact CD1-CB 4.28Å; L123-A308 HydrophobicContact CD2-CB 4.02Å; L123-A308 HydrophobicContact CG-CB 4.12Å; L304-A308 WeakPolarHBondContact O-CB 3.37Å; L304-A308 PolarHBondContact O-N 2.72Å; I305-A308 PolarHBondContact O-N 2.78Å |
| 309 | K | 81.3 | Confident | 73.5 | Confident | 109 Ų | 109 | 62.9 Ų | 62.9 | 47% | 0.474 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 2.9 | 177.3 | -66.7 | -179.4 | 177.5 | -171.6 | 0 | 113.9 | A112 L165 I305 A306 E307 | A112-K309 PolarHBondContact O-NZ 2.84Å; L165-K309 HydrophobicContact CD2-CD 4.43Å; L165-K309 VanDerWaalsContact CD2-NZ 3.33Å; I305-K309 HydrophobicContact CG2-CD 4.05Å; I305-K309 WeakPolarHBondContact O-CB 3.39Å; I305-K309 WeakPolarHBondContact O-CG 3.1Å; I305-K309 PolarHBondContact O-N 2.73Å; I305-K309 VanDerWaalsContact O-N 3.08Å; A306-K309 PolarHBondContact O-N 2.94Å; E307-K309 PolarHBondContact O-N 2.81Å |
| 310 | A | 80 | Confident | 71.1 | Confident | 14 Ų | 14 | 66.8 Ų | 66.8 | 12% | 0.116 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -74.9 | 135.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A306 E307 V312 R744 F746 | A306-A310 WeakPolarHBondContact O-CB 3.44Å; A306-A310 PolarHBondContact O-N 3.05Å; A306-A310 VanDerWaalsContact O-N 3.08Å; E307-A310 WeakPolarHBondContact O-CB 3.47Å; E307-A310 PolarHBondContact O-N 3.07Å; A310-V312 PolarHBondContact O-N 3.1Å; A310-R744 HydrophobicContact CB-CB 3.72Å; A310-R744 HydrophobicContact CB-CG 3.97Å; A310-F746 HydrophobicContact CB-CB 4.06Å; A310-F746 HydrophobicContact CB-CD1 3.76Å; A310-F746 HydrophobicContact CB-CG 4.34Å |
| 311 | E | 59.3 | Low | 68.5 | Low | 174 Ų | 174 | 73.9 Ų | 73.9 | 81% | 0.813 | 38% | 0.377 | S | S | * | . | trans | -63.5 | 130.2 | 167.1 | -168.1 | 170.7 | -163.9 | 0 | 0 | 109.3 | ||||
| 312 | V | 60.1 | Low | 65.7 | Low | 60 Ų | 60 | 83 Ų | 83 | 36% | 0.364 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 108.6 | -169.9 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | A310 E314 R744 | A310-V312 PolarHBondContact O-N 3.1Å; V312-E314 HydrophobicContact CG1-CG 3.88Å; V312-R744 HydrophobicContact CG2-CG 4.23Å |
| 313 | T | 51.4 | Low | 63 | Low | 72 Ų | 72 | 89.2 Ų | 89.2 | 44% | 0.442 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 128.3 | 165.7 | 54.8 | 0 | 0 | 0 | 0 | 110.9 | T743 | T313-T743 PolarHBondContact O-N 3.43Å; T313-T743 PolarHBondContact OG1-O 2.91Å |
| 314 | E | 60.1 | Low | 60.4 | Low | 104 Ų | 104 | 95.8 Ų | 95.8 | 49% | 0.486 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 116.3 | -178.1 | -55.9 | -160.4 | -172.2 | 0 | 0 | 110.7 | V312 K742 | V312-E314 HydrophobicContact CG1-CG 3.88Å; E314-K742 HydrophobicContact CG-CD 3.96Å; E314-K742 HydrophobicContact CG-CG 3.98Å; E314-K742 WeakPolarHBondContact OE1-CD 3.46Å; E314-K742 VanDerWaalsContact OE1-CE 3.3Å; E314-K742 WeakPolarHBondContact OE1-CE 3.19Å; E314-K742 IonicContact OE1-NZ 2.66Å; E314-K742 PolarHBondContact OE1-NZ 3.44Å; E314-K742 WeakPolarHBondContact OE2-CE 3.12Å; E314-K742 IonicContact OE2-NZ 3.92Å; E314-K742 PolarHBondContact OE2-NZ 3.39Å |
| 315 | E | 52.3 | Low | 57.8 | Low | 105 Ų | 105 | 105.2 Ų | 105.2 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 140.3 | 175.5 | -65.4 | -176.1 | 160.9 | 0 | 0 | 110.4 | K741 | E315-K741 PolarHBondContact N-O 2.98Å; E315-K741 PolarHBondContact O-N 3.18Å |
| 316 | I | 51.2 | Low | 55.1 | Low | 115 Ų | 115 | 114.1 Ų | 114.1 | 59% | 0.59 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114 | 102.2 | 174.7 | -59.1 | 172.8 | 0 | 0 | 0 | 107.1 | L740 | I316-L740 HydrophobicContact CG1-CD1 3.76Å |
| 317 | E | 51.8 | Low | 52.6 | Low | 99 Ų | 99 | 122.5 Ų | 122.5 | 46% | 0.463 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.9 | 122.5 | 173.7 | -73.5 | -173 | 123.7 | 0 | 0 | 110.3 | G319 T739 K741 | E317-G319 PolarHBondContact O-N 2.86Å; E317-T739 PolarHBondContact N-O 3.49Å; E317-T739 PolarHBondContact O-N 3.46Å; E317-K741 HydrophobicContact CG-CD 4.44Å; E317-K741 IonicContact OE1-NZ 2.69Å; E317-K741 WeakPolarHBondContact OE2-CD 3.09Å; E317-K741 WeakPolarHBondContact OE2-CE 3.2Å; E317-K741 IonicContact OE2-NZ 3.67Å; E317-K741 PolarHBondContact OE2-NZ 3.5Å |
| 318 | D | 43.8 | Very low | 50.3 | Low | 88 Ų | 88 | 127.8 Ų | 127.8 | 47% | 0.471 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75 | 116.9 | 160.8 | -84.3 | -45.7 | 0 | 0 | 0 | 108.5 | K320 K738 | D318-K320 PolarHBondContact O-N 3.48Å; D318-K738 WeakPolarHBondContact OD1-CG 3.45Å; D318-K738 IonicContact OD1-NZ 3.93Å; D318-K738 PolarHBondContact OD1-NZ 3.39Å; D318-K738 IonicContact OD2-NZ 3.4Å; D318-K738 PolarHBondContact OD2-NZ 2.96Å |
| 319 | G | 43.9 | Very low | 48.1 | Very low | 58 Ų | 58 | 133.5 Ų | 133.5 | 60% | 0.598 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 121.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E317 | E317-G319 PolarHBondContact O-N 2.86Š|
| 320 | K | 41.3 | Very low | 45.8 | Very low | 203 Ų | 203 | 134 Ų | 134 | 88% | 0.883 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -74 | 146 | 168.7 | -69.4 | 177.3 | -179.8 | 171.1 | 0 | 109.8 | D318 | D318-K320 PolarHBondContact O-N 3.48Š|
| 321 | E | 39 | Very low | 44.6 | Very low | 177 Ų | 177 | 139 Ų | 139 | 83% | 0.827 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 128.4 | 172.5 | -60.8 | 178.8 | 138.3 | 0 | 0 | 108.1 | ||
| 322 | E | 36.8 | Very low | 43.2 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 89% | 0.893 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 123.8 | 165.9 | -67.5 | -175.2 | 154.2 | 0 | 0 | 107.4 | ||
| 323 | E | 37.4 | Very low | 41.8 | Very low | 192 Ų | 192 | 137.2 Ų | 137.2 | 90% | 0.897 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 121.9 | -177.7 | -64.4 | 179 | 134.2 | 0 | 0 | 110.1 | ||
| 324 | E | 36.7 | Very low | 40.7 | Very low | 192 Ų | 192 | 140.4 Ų | 140.4 | 90% | 0.897 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 123.6 | 168.7 | -65.5 | -178.6 | 131.2 | 0 | 0 | 109.2 | ||
| 325 | E | 37.2 | Very low | 40 | Very low | 198 Ų | 198 | 141.2 Ų | 141.2 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 137.7 | 176.8 | -69.5 | -167 | 138.5 | 0 | 0 | 112.1 | ||
| 326 | E | 35 | Very low | 38.9 | Very low | 191 Ų | 191 | 139.3 Ų | 139.3 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 140.3 | -178.2 | -61.2 | -175.1 | 127.8 | 0 | 0 | 113.5 | ||
| 327 | E | 34 | Very low | 38 | Very low | 195 Ų | 195 | 141.2 Ų | 141.2 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 136.6 | 163.2 | -83.3 | -147.4 | 150.3 | 0 | 0 | 112.3 | ||
| 328 | P | 40.1 | Very low | 37 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -101 | 137.8 | 170.5 | 36 | -31.2 | 0 | 0 | 0 | 113.9 | ||
| 329 | D | 36.4 | Very low | 36.3 | Very low | 143 Ų | 143 | 150 Ų | 150 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 116 | -166.5 | -163 | -13.8 | 0 | 0 | 0 | 114.9 | ||
| 330 | T | 33.3 | Very low | 35.7 | Very low | 120 Ų | 120 | 151.2 Ų | 151.2 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | 36.3 | -173.4 | 149.2 | 72.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 331 | P | 56.3 | Low | 35.7 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | cis | -130.9 | 159.2 | -18.7 | 39 | -23.8 | 0 | 0 | 0 | 116.3 | ||||
| 332 | A | 29.5 | Very low | 35.4 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -165.7 | 113.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 333 | A | 29.9 | Very low | 35 | Very low | 93 Ų | 93 | 142.1 Ų | 142.1 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | 14.7 | 121.1 | 149 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 334 | V | 29.4 | Very low | 34.8 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | 19.8 | 162.3 | 130.7 | -79.2 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 335 | P | 44.8 | Very low | 34.6 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | cis | -130.3 | 164.4 | -3.3 | 35 | -16.5 | 0 | 0 | 0 | 116 | ||||
| 336 | G | 28.5 | Very low | 34.3 | Very low | 65 Ų | 65 | 133.9 Ų | 133.9 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | trans | -104.8 | 176.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 337 | H | 32.5 | Very low | 33.9 | Very low | 154 Ų | 154 | 128.4 Ų | 128.4 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | -165.7 | 126.9 | 168.8 | -113.5 | 55.8 | 0 | 0 | 0 | 113.9 | ||||
| 338 | K | 31.6 | Very low | 34 | Very low | 149 Ų | 149 | 124.1 Ų | 124.1 | 65% | 0.648 | 76% | 0.76 | S | S | * | * | trans | 51.5 | 144.7 | 140.3 | -62.4 | 172.9 | -170.8 | 153.1 | 0 | 119.1 | ||||
| 339 | R | 29 | Very low | 33.7 | Very low | 222 Ų | 222 | 122.7 Ų | 122.7 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | cis | -164.5 | 165.2 | 14.5 | -131.5 | 169.9 | -169.3 | 151.7 | -3.4 | 110.1 | ||||
| 340 | A | 31.1 | Very low | 33.7 | Very low | 85 Ų | 85 | 123 Ų | 123 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | trans | -71.4 | 172.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 341 | P | 41.2 | Very low | 33.8 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | -134.4 | 162.1 | 94.6 | 39.6 | -31.2 | 0 | 0 | 0 | 115.2 | |||||
| 342 | S | 31.9 | Very low | 32.6 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | trans | -88.1 | 156.5 | 165.2 | 50.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 343 | D | 29.1 | Very low | 32.8 | Very low | 149 Ų | 149 | 127.3 Ų | 127.3 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | -167.5 | 156.8 | 122.3 | -116.7 | -26.4 | 0 | 0 | 0 | 115.1 | |||||
| 344 | V | 32.6 | Very low | 33 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 68% | 0.679 | 73% | 0.734 | S | S | * | * | trans | 31.4 | 107.8 | 156.8 | -171.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 345 | S | 33.5 | Very low | 33.8 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | 73.8 | 121.3 | 51.3 | -52.1 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 346 | M | 29.7 | Very low | 33.9 | Very low | 190 Ų | 190 | 127 Ų | 127 | 94% | 0.936 | 73% | 0.726 | S | S | * | * | trans | 165.6 | 140.8 | 153.2 | -86.5 | -103.8 | 139 | 0 | 0 | 109.4 | ||||
| 347 | A | 28 | Very low | 34.2 | Very low | 76 Ų | 76 | 130.1 Ų | 130.1 | 63% | 0.628 | 73% | 0.732 | S | S | * | * | cis | -164.9 | 152.5 | -15.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 348 | S | 36.3 | Very low | 34.7 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | 50.4 | 157.6 | 155.6 | -72.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 349 | S | 32.1 | Very low | 34.5 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 66% | 0.657 | 73% | 0.734 | S | S | * | * | cis | -138.1 | 128.1 | 11.2 | 51.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 350 | E | 38 | Very low | 34.4 | Very low | 151 Ų | 151 | 121.8 Ų | 121.8 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | 72 | 136.4 | 91.2 | -63.8 | 152.6 | 150.3 | 0 | 0 | 113.2 | |||||
| 351 | E | 33.9 | Very low | 34.2 | Very low | 166 Ų | 166 | 124 Ų | 124 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | cis | -156.1 | 145.8 | 9.7 | -124.7 | 173.9 | 167.7 | 0 | 0 | 112.9 | ||||
| 352 | D | 32.7 | Very low | 33.6 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 61% | 0.61 | 73% | 0.726 | S | S | * | * | trans | 37.2 | 154.8 | 132.6 | -79.4 | 24.7 | 0 | 0 | 0 | 125.6 | ||||
| 353 | K | 33.2 | Very low | 33.4 | Very low | 150 Ų | 150 | 125.2 Ų | 125.2 | 65% | 0.652 | 72% | 0.724 | S | S | * | * | cis | -170 | 140 | -22.2 | -106.7 | -168.7 | -169 | 74.5 | 0 | 107.6 | ||||
| 354 | V | 34.1 | Very low | 33.2 | Very low | 123 Ų | 123 | 123.9 Ų | 123.9 | 75% | 0.745 | 72% | 0.72 | S | S | * | * | 73.5 | 146 | 69.1 | 148.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 355 | P | 46.9 | Very low | 32.9 | Very low | 109 Ų | 109 | 125.3 Ų | 125.3 | 71% | 0.708 | 73% | 0.729 | S | S | * | * | cis | -143.4 | -135.1 | -21.1 | 43.2 | -20.8 | 0 | 0 | 0 | 111.3 | ||||
| 356 | P | 45 | Very low | 32.6 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | cis | -131.2 | -178.8 | -28.1 | 39 | -21 | 0 | 0 | 0 | 116.2 | ||||
| 357 | T | 36.8 | Very low | 32.4 | Very low | 129 Ų | 129 | 129 Ų | 129 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | trans | -87.3 | 178.5 | 162.1 | 59.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 358 | P | 42.5 | Very low | 32.4 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | -159.8 | 166.3 | 91 | 41 | -21.2 | 0 | 0 | 0 | 119.3 | |||||
| 359 | S | 27.4 | Very low | 32 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | 67.9 | 151.1 | 144.8 | 65 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 360 | N | 26.4 | Very low | 31.6 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | cis | -155.4 | -177.9 | 3.1 | -125.9 | 12.2 | 0 | 0 | 0 | 114.2 | ||||
| 361 | L | 26.8 | Very low | 31.2 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 69% | 0.691 | 75% | 0.749 | S | S | * | * | trans | -44.6 | 163.7 | 174.1 | -64.5 | 77.6 | 0 | 0 | 0 | 115.5 | ||||
| 362 | E | 28.1 | Very low | 31.2 | Very low | 160 Ų | 160 | 132.8 Ų | 132.8 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | cis | -160.4 | -168.2 | 10.9 | -133.8 | -174.3 | -75.8 | 0 | 0 | 109.3 | ||||
| 363 | S | 28.1 | Very low | 31 | Very low | 95 Ų | 95 | 132.4 Ų | 132.4 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | cis | -161 | 149.6 | 4 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 364 | V | 25.5 | Very low | 31 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | 11.5 | 121.6 | 150.1 | -167.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 365 | T | 25.4 | Very low | 30.5 | Very low | 142 Ų | 142 | 136 Ų | 136 | 87% | 0.871 | 76% | 0.763 | S | S | * | * | -178.2 | 149.3 | 116 | 30.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 366 | E | 27.3 | Very low | 29.8 | Very low | 178 Ų | 178 | 141.7 Ų | 141.7 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -88.2 | 151.5 | 165.8 | -59.6 | 170.2 | 100.7 | 0 | 0 | 112 | ||||
| 367 | K | 27 | Very low | 29 | Very low | 197 Ų | 197 | 141.6 Ų | 141.6 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | -175.8 | 165.1 | 110.4 | -105.2 | -179.5 | 178.3 | -176.6 | 0 | 117.6 | |||||
| 368 | T | 27.5 | Very low | 28.5 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 69% | 0.693 | 77% | 0.769 | S | S | * | * | trans | -81.9 | 161.2 | -172.1 | 1.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 369 | E | 26.7 | Very low | 27.7 | Very low | 188 Ų | 188 | 140.9 Ų | 140.9 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | trans | 66.5 | 144.2 | 151.7 | -74.9 | 173.6 | 167.1 | 0 | 0 | 118 | ||||
| 370 | A | 24.8 | Very low | 27.7 | Very low | 93 Ų | 93 | 143.2 Ų | 143.2 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | cis | -156.9 | 177.7 | 10.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 371 | E | 30.2 | Very low | 27.9 | Very low | 168 Ų | 168 | 143.6 Ų | 143.6 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -44.2 | 147.8 | 158.3 | -81.1 | -75.5 | 146.7 | 0 | 0 | 114 | ||||
| 372 | P | 33.8 | Very low | 27.9 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | -157 | 143.8 | 84.8 | 40 | -19.7 | 0 | 0 | 0 | 120.3 | |||||
| 373 | V | 27.9 | Very low | 28.1 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 64% | 0.642 | 77% | 0.774 | S | S | * | * | 56.6 | 117.9 | 123.9 | -174.5 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 374 | E | 32.4 | Very low | 28.1 | Very low | 186 Ų | 186 | 147.3 Ų | 147.3 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | trans | 46.4 | 126.7 | 146.3 | -62.9 | 168.5 | -155.6 | 0 | 0 | 122.7 | ||||
| 375 | D | 24.1 | Very low | 28.2 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | -157.4 | 167.9 | 109.3 | -155.9 | -3.2 | 0 | 0 | 0 | 111.5 | |||||
| 376 | R | 32.3 | Very low | 28.3 | Very low | 229 Ų | 229 | 146.5 Ų | 146.5 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -108 | 137.4 | 171.4 | -77.6 | -178.1 | 167 | -162.8 | -1.3 | 111.4 | ||||
| 377 | S | 27.5 | Very low | 28.2 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -171.5 | 165 | 138.3 | 22.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 378 | S | 26.7 | Very low | 28.2 | Very low | 102 Ų | 102 | 138 Ų | 138 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -46.8 | 162.6 | 163.5 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 379 | D | 25.6 | Very low | 28.2 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | cis | -165.8 | 167 | 42.5 | -146.8 | -5.3 | 0 | 0 | 0 | 114.8 | ||||
| 380 | K | 28.5 | Very low | 28.3 | Very low | 148 Ų | 148 | 137 Ų | 137 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | 17.6 | 131.6 | 154 | -75.9 | 162.7 | -157.7 | 117 | 0 | 124.7 | ||||
| 381 | L | 29 | Very low | 28.7 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | 67.5 | 111.7 | 123.6 | -60.4 | 170.4 | 0 | 0 | 0 | 122.6 | |||||
| 382 | S | 27 | Very low | 28.7 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | 176.4 | 137.6 | 131.7 | 26 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 383 | D | 32.7 | Very low | 28.7 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | cis | 70.2 | 74.9 | 14.7 | -158.2 | 25.9 | 0 | 0 | 0 | 117 | ||||
| 384 | E | 29.2 | Very low | 28.7 | Very low | 198 Ų | 198 | 137.6 Ų | 137.6 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | -136.5 | 153 | 126.6 | -71.2 | -164.6 | 162.9 | 0 | 0 | 106.9 | |||||
| 385 | G | 27.3 | Very low | 28.6 | Very low | 54 Ų | 54 | 136.6 Ų | 136.6 | 56% | 0.557 | 75% | 0.754 | S | S | * | * | cis | 177.4 | -160.6 | -1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 386 | L | 27.6 | Very low | 28.7 | Very low | 191 Ų | 191 | 135.7 Ų | 135.7 | 100% | 1 | 75% | 0.749 | S | S | * | * | trans | 81.4 | 127.4 | -167.6 | -52.6 | 168.9 | 0 | 0 | 0 | 113.9 | ||||
| 387 | G | 25.3 | Very low | 28.4 | Very low | 60 Ų | 60 | 133 Ų | 133 | 62% | 0.619 | 75% | 0.746 | S | S | * | * | cis | 151.5 | 97.2 | -5.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 388 | T | 25.8 | Very low | 28.6 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | trans | 46 | 138.7 | 137.5 | 57.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 389 | S | 28 | Very low | 28.6 | Very low | 102 Ų | 102 | 138.1 Ų | 138.1 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | cis | -178.4 | -176.8 | -4.7 | 46.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 390 | E | 27.8 | Very low | 28.6 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | 90.1 | 117.7 | 166.9 | -50.5 | -161.8 | 128.7 | 0 | 0 | 116.5 | ||||
| 391 | V | 34.8 | Very low | 28.6 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 75% | 0.745 | 76% | 0.762 | S | S | * | * | cis | 101.6 | 134.2 | 33.6 | 170.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 392 | D | 29.6 | Very low | 28.4 | Very low | 108 Ų | 108 | 140 Ų | 140 | 58% | 0.578 | 76% | 0.764 | S | S | * | * | cis | -158.3 | 156.4 | 39 | -147.2 | -5 | 0 | 0 | 0 | 115.8 | ||||
| 393 | K | 33.6 | Very low | 28.4 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 70% | 0.696 | 76% | 0.758 | S | S | * | * | trans | 53.7 | 159.8 | 149.8 | -82.1 | 163.5 | -164.4 | 83.1 | 0 | 121.7 | ||||
| 394 | T | 28.1 | Very low | 28.3 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 61% | 0.613 | 76% | 0.757 | S | S | * | * | cis | -150.3 | 165.5 | 9.6 | -8.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 395 | E | 29.3 | Very low | 28.2 | Very low | 164 Ų | 164 | 132.4 Ų | 132.4 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | trans | 63.5 | 151.3 | 148.5 | -73 | 156.8 | -134.3 | 0 | 0 | 120.3 | ||||
| 396 | D | 27 | Very low | 28.4 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | cis | -158 | 177.5 | -35.6 | -134 | -30 | 0 | 0 | 0 | 112.4 | ||||
| 397 | E | 27 | Very low | 28.6 | Very low | 173 Ų | 173 | 133.1 Ų | 133.1 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | trans | 6.1 | 138.7 | 171 | -58.5 | -158.8 | 127 | 0 | 0 | 123.7 | ||||
| 398 | K | 30 | Very low | 28.7 | Very low | 193 Ų | 193 | 136.5 Ų | 136.5 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | trans | -92.5 | 140.3 | 159.8 | 166.7 | -161.2 | -176.7 | -171.4 | 0 | 108.8 | ||||
| 399 | L | 27.6 | Very low | 28.9 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 69% | 0.686 | 75% | 0.747 | S | S | * | * | trans | -179.2 | 142.6 | 145.2 | -105.1 | 168.1 | 0 | 0 | 0 | 113.7 | E401 | L399-E401 HydrophobicContact CD2-CG 3.86Š| ||
| 400 | N | 25.5 | Very low | 28.7 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | -157.9 | 124.4 | 122.4 | -145.6 | 10.7 | 0 | 0 | 0 | 109.9 | |||||
| 401 | E | 27.6 | Very low | 29.3 | Very low | 156 Ų | 156 | 136 Ų | 136 | 73% | 0.729 | 75% | 0.749 | S | S | * | * | trans | -109.5 | 154.9 | 173.9 | -73.2 | -174.6 | 120.4 | 0 | 0 | 110.8 | L399 | L399-E401 HydrophobicContact CD2-CG 3.86Š| ||
| 402 | V | 26.2 | Very low | 28.9 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 84% | 0.842 | 75% | 0.749 | S | S | * | * | trans | -177.5 | 140.9 | 134.8 | -90.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 403 | S | 26.8 | Very low | 29.5 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | cis | -155.2 | 138 | -7.3 | -92.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 404 | A | 30.1 | Very low | 29.1 | Very low | 92 Ų | 92 | 131.8 Ų | 131.8 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | 60.2 | 140.9 | 84.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 405 | S | 27.5 | Very low | 29.1 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | cis | -169.3 | 163.5 | 3.4 | 38.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 406 | S | 31.8 | Very low | 28.9 | Very low | 93 Ų | 93 | 134 Ų | 134 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | cis | -156.9 | -156.8 | 0.4 | 39 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 407 | E | 30.6 | Very low | 29 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | cis | -158.3 | 116.2 | 5.1 | -145.2 | 144.1 | -75.1 | 0 | 0 | 106.7 | ||||
| 408 | D | 28.5 | Very low | 29 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | 56.2 | 123.1 | 104.3 | -164.7 | 30.3 | 0 | 0 | 0 | 118.2 | |||||
| 409 | L | 29 | Very low | 28.8 | Very low | 156 Ų | 156 | 128.9 Ų | 128.9 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | 163.3 | 125.6 | 128.2 | -86.9 | 174.5 | 0 | 0 | 0 | 112 | |||||
| 410 | T | 24.8 | Very low | 28.7 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -98.1 | 158.3 | 170.1 | 76 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 411 | P | 40.9 | Very low | 28.7 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | -148 | 177.2 | 69.1 | 39.1 | -18.7 | 0 | 0 | 0 | 117 | |||||
| 412 | A | 26.3 | Very low | 28.5 | Very low | 90 Ų | 90 | 126 Ų | 126 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | trans | -61.2 | 170.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 413 | P | 40.5 | Very low | 28.5 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | cis | -151.4 | -172.2 | 31.6 | 44.9 | -23.5 | 0 | 0 | 0 | 119.4 | ||||
| 414 | A | 26.9 | Very low | 28.6 | Very low | 88 Ų | 88 | 129 Ų | 129 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | 95.9 | 125.3 | 148.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 415 | E | 27 | Very low | 28.4 | Very low | 183 Ų | 183 | 131.6 Ų | 131.6 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | 49.7 | 108.8 | 143.5 | -60.4 | -172.3 | -179 | 0 | 0 | 122.2 | ||||
| 416 | T | 25.4 | Very low | 28.3 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | 6.2 | 124.2 | 138.9 | 53.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 417 | S | 28.3 | Very low | 28 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | 176.1 | 147.2 | 103 | 47.3 | 0 | 0 | 0 | 0 | 115 | |||||
| 418 | K | 28 | Very low | 27.9 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | trans | 70.5 | 134.5 | 150.5 | -76.5 | -176 | 169.5 | -149 | 0 | 122.6 | ||||
| 419 | D | 26.2 | Very low | 28 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 62% | 0.62 | 78% | 0.782 | S | S | * | * | trans | 54.2 | 113.7 | 131.6 | -45.2 | -21.9 | 0 | 0 | 0 | 117.7 | ||||
| 420 | L | 25.3 | Very low | 28.1 | Very low | 157 Ų | 157 | 134.7 Ų | 134.7 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | 61.1 | 132.9 | 93.6 | -66.4 | 168.1 | 0 | 0 | 0 | 113.4 | |||||
| 421 | D | 25.1 | Very low | 28.3 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | cis | -160.7 | 167.9 | 22.3 | -162.6 | 6 | 0 | 0 | 0 | 112.9 | ||||
| 422 | S | 24.3 | Very low | 27.8 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | 65 | 132 | 146 | 75.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 423 | A | 26.1 | Very low | 28 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | -162.1 | 113.6 | 133.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 424 | K | 27.4 | Very low | 27.4 | Very low | 200 Ų | 200 | 142.9 Ų | 142.9 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | trans | -72.7 | 163.1 | 150.3 | -80.6 | -179.5 | 172.6 | 178.2 | 0 | 108.5 | ||||
| 425 | V | 26.7 | Very low | 27.5 | Very low | 146 Ų | 146 | 144.8 Ų | 144.8 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | -178.6 | 151.6 | 110.9 | 147.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 426 | Q | 25.4 | Very low | 27.5 | Very low | 179 Ų | 179 | 141.7 Ų | 141.7 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | -92.6 | 151.7 | 179.6 | -176 | 170.7 | -27.2 | 0 | 0 | 110.3 | ||||
| 427 | L | 26.2 | Very low | 27.5 | Very low | 148 Ų | 148 | 139 Ų | 139 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | -72.2 | 143.1 | 178.6 | -72.8 | 160.4 | 0 | 0 | 0 | 112.2 | ||||
| 428 | D | 27.8 | Very low | 27.3 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | -178.7 | 112.2 | 125 | -85.1 | -24.7 | 0 | 0 | 0 | 107.8 | |||||
| 429 | V | 30.4 | Very low | 27.4 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | 90.5 | 79.3 | 74.9 | 173 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 430 | D | 31 | Very low | 27.6 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | 82.3 | 159.2 | 119.1 | -154.3 | 28.3 | 0 | 0 | 0 | 123 | |||||
| 431 | Q | 29.2 | Very low | 27.7 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 73% | 0.729 | 79% | 0.787 | S | S | * | * | trans | 79 | 110.4 | 172.3 | -56.2 | -179.5 | 23.8 | 0 | 0 | 116.3 | ||||
| 432 | T | 29.6 | Very low | 27.7 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | 67.8 | 130.8 | 56.4 | 73.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 433 | E | 31.8 | Very low | 28 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | cis | -160.5 | 145.2 | 4.3 | -157.3 | 179.3 | -122.4 | 0 | 0 | 109.8 | ||||
| 434 | E | 26.8 | Very low | 28.9 | Very low | 199 Ų | 199 | 140.3 Ų | 140.3 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | trans | -166.5 | 168.2 | 143.8 | -123 | -176.3 | -159.7 | 0 | 0 | 112.4 | ||||
| 435 | I | 30.5 | Very low | 29.1 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | trans | -132.7 | 139.8 | -150.2 | -65.5 | 172.8 | 0 | 0 | 0 | 114.1 | ||||
| 436 | S | 25.4 | Very low | 29.3 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 67.2 | 151.7 | 166.2 | 70.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 437 | G | 25.2 | Very low | 29.4 | Very low | 73 Ų | 73 | 135.7 Ų | 135.7 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | cis | 137.1 | 105.8 | -12.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 438 | E | 24.7 | Very low | 29.4 | Very low | 205 Ų | 205 | 133.8 Ų | 133.8 | 96% | 0.958 | 76% | 0.763 | S | S | * | * | trans | -159.1 | -178.9 | 163.2 | -134.7 | 175.4 | -162.1 | 0 | 0 | 111.5 | ||||
| 439 | A | 31.4 | Very low | 29.4 | Very low | 94 Ų | 94 | 136.3 Ų | 136.3 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | trans | -144 | 164.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 440 | A | 29.4 | Very low | 29.2 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | 95.7 | 138.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 441 | V | 27.1 | Very low | 28.9 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | trans | 96.8 | 129.8 | 140 | 159.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 442 | S | 26.2 | Very low | 28.8 | Very low | 101 Ų | 101 | 139.4 Ų | 139.4 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | 62.6 | 114.3 | 163.1 | 49.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 443 | K | 29.1 | Very low | 29.9 | Very low | 192 Ų | 192 | 138.8 Ų | 138.8 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | 53.9 | 145.9 | 63.3 | -82.1 | -158.7 | 174.7 | -164 | 0 | 114.8 | |||||
| 444 | P | 46.2 | Very low | 30.6 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 66% | 0.662 | 77% | 0.771 | S | S | * | * | cis | -144.8 | 175.3 | 31.5 | 45.3 | -27.6 | 0 | 0 | 0 | 118.7 | ||||
| 445 | D | 31.1 | Very low | 30.7 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | 51.9 | 157.8 | 146.4 | -54.3 | -15.9 | 0 | 0 | 0 | 121.2 | ||||
| 446 | E | 30.4 | Very low | 30.7 | Very low | 173 Ų | 173 | 133.3 Ų | 133.3 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | cis | -146 | 172.6 | -5.3 | -135.5 | -155.1 | 168 | 0 | 0 | 106.7 | ||||
| 447 | V | 27.4 | Very low | 30.9 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | cis | -149.9 | -153.7 | 8 | 68.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 448 | V | 27.7 | Very low | 31 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 66% | 0.655 | 76% | 0.761 | S | S | * | * | trans | -140.7 | 145.9 | -169.6 | 165.7 | 0 | 0 | 0 | 0 | 111.9 | S450 | V448-S450 WeakPolarHBondContact CG1-OG 3.46Š| ||
| 449 | K | 26.5 | Very low | 31.2 | Very low | 202 Ų | 202 | 137.3 Ų | 137.3 | 88% | 0.878 | 76% | 0.758 | S | S | * | * | trans | -173.3 | 135.1 | 143.2 | -102.3 | 157 | -174.3 | 175.1 | 0 | 109.9 | ||||
| 450 | S | 25.9 | Very low | 30.9 | Very low | 88 Ų | 88 | 137.5 Ų | 137.5 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | cis | 101.9 | 109.7 | 14 | -56 | 0 | 0 | 0 | 0 | 116.6 | V448 | V448-S450 WeakPolarHBondContact CG1-OG 3.46Š| ||
| 451 | Q | 25.9 | Very low | 31 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | trans | 87.2 | 96.8 | 148.1 | -62.5 | -179.6 | -3 | 0 | 0 | 122.9 | ||||
| 452 | K | 26.6 | Very low | 31 | Very low | 198 Ų | 198 | 144.3 Ų | 144.3 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | 73.8 | 178.1 | 110.1 | -127.8 | -173.3 | -178.6 | -178.5 | 0 | 119.4 | |||||
| 453 | P | 52.3 | Low | 31 | Very low | 103 Ų | 103 | 146.3 Ų | 146.3 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | -111.6 | -158.6 | -108.6 | 46.5 | -30.4 | 0 | 0 | 0 | 112.9 | |||||
| 454 | P | 47.1 | Very low | 30.9 | Very low | 109 Ų | 109 | 146.6 Ų | 146.6 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | cis | -145.3 | -175.8 | 5.7 | 40.1 | -16.7 | 0 | 0 | 0 | 119.6 | ||||
| 455 | S | 28.2 | Very low | 29.9 | Very low | 86 Ų | 86 | 150.4 Ų | 150.4 | 60% | 0.601 | 78% | 0.779 | S | S | * | * | trans | 65.6 | 120.3 | 140.3 | 62.2 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 456 | E | 32 | Very low | 29.7 | Very low | 181 Ų | 181 | 151.1 Ų | 151.1 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | 67.9 | 149.5 | 138.3 | -63.4 | 159.5 | -153.9 | 0 | 0 | 117.7 | ||||
| 457 | V | 28.8 | Very low | 29.5 | Very low | 115 Ų | 115 | 148.7 Ų | 148.7 | 70% | 0.697 | 78% | 0.783 | S | S | * | * | cis | -147.3 | 169.8 | 19 | -137.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 458 | E | 27.8 | Very low | 29.5 | Very low | 172 Ų | 172 | 152.2 Ų | 152.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 59.8 | 124.4 | 158.3 | -75.1 | 154.4 | -151.9 | 0 | 0 | 118 | ||||
| 459 | E | 27.7 | Very low | 29.4 | Very low | 192 Ų | 192 | 156.5 Ų | 156.5 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | 101.2 | 92.8 | 52 | -173.6 | 176.2 | -101.7 | 0 | 0 | 112.2 | |||||
| 460 | A | 26.1 | Very low | 29.4 | Very low | 98 Ų | 98 | 155.7 Ų | 155.7 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -169.2 | 145 | 156 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 461 | E | 30.9 | Very low | 29.4 | Very low | 197 Ų | 197 | 159 Ų | 159 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -105.1 | 129.7 | 167.6 | -63.6 | 179.7 | 126.3 | 0 | 0 | 109.2 | ||||
| 462 | E | 27.2 | Very low | 29.3 | Very low | 174 Ų | 174 | 159 Ų | 159 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | -134.7 | 128.1 | 165.1 | -79.8 | -167.8 | 133.3 | 0 | 0 | 111.8 | ||||
| 463 | L | 25.9 | Very low | 29.3 | Very low | 142 Ų | 142 | 158.9 Ų | 158.9 | 74% | 0.743 | 82% | 0.819 | S | S | * | * | trans | 40.5 | 130.1 | 142.4 | -54.1 | 173.4 | 0 | 0 | 0 | 119.7 | ||||
| 464 | K | 27.4 | Very low | 28.1 | Very low | 198 Ų | 198 | 163.1 Ų | 163.1 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | 52.4 | 60.8 | 58.9 | -83.5 | -163.4 | 166 | -163.7 | 0 | 114.7 | |||||
| 465 | E | 25 | Very low | 27 | Very low | 183 Ų | 183 | 167 Ų | 167 | 86% | 0.855 | 84% | 0.838 | S | S | * | * | trans | -159.5 | 143.9 | 144 | -104.3 | 165.8 | -148.7 | 0 | 0 | 104.6 | ||||
| 466 | I | 27.3 | Very low | 26.8 | Very low | 157 Ų | 157 | 168.7 Ų | 168.7 | 81% | 0.805 | 85% | 0.845 | S | S | * | * | S | Bend | cis | -137.6 | 118.6 | 33.1 | -62.9 | 155.9 | 0 | 0 | 0 | 109.6 | ||
| 467 | S | 25.7 | Very low | 26.6 | Very low | 122 Ų | 122 | 167.3 Ų | 167.3 | 85% | 0.853 | 84% | 0.842 | S | S | * | * | trans | -159.7 | 33.7 | 162.4 | -138.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 468 | E | 27.1 | Very low | 26.5 | Very low | 186 Ų | 186 | 171.1 Ų | 171.1 | 87% | 0.869 | 85% | 0.852 | S | S | * | * | trans | -129.1 | 71.1 | 174.7 | -73.1 | -174.5 | 170.8 | 0 | 0 | 110 | ||||
| 469 | K | 26.2 | Very low | 26.4 | Very low | 198 Ų | 198 | 168.1 Ų | 168.1 | 86% | 0.861 | 84% | 0.842 | S | S | * | * | trans | -153.4 | 72.3 | 164 | -72.9 | -151.4 | 178.8 | -163.6 | 0 | 112.7 | ||||
| 470 | M | 27.4 | Very low | 26.4 | Very low | 185 Ų | 185 | 166.8 Ų | 166.8 | 91% | 0.911 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -170.2 | 150.2 | 145.3 | -103.4 | 164.8 | 124.8 | 0 | 0 | 107.7 | ||
| 471 | D | 24.8 | Very low | 26.4 | Very low | 157 Ų | 157 | 170 Ų | 170 | 84% | 0.84 | 83% | 0.833 | S | S | * | * | S | Bend | trans | 74.2 | 69.4 | -176.7 | -56.6 | -10.3 | 0 | 0 | 0 | 117.7 | ||
| 472 | M | 24.2 | Very low | 26.1 | Very low | 185 Ų | 185 | 168.9 Ų | 168.9 | 91% | 0.911 | 83% | 0.828 | S | S | * | * | trans | -166.9 | 82.2 | 146.7 | -114.7 | -165.8 | 76.3 | 0 | 0 | 111.6 | ||||
| 473 | E | 25.6 | Very low | 26.1 | Very low | 197 Ų | 197 | 168.8 Ų | 168.8 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | trans | -162.6 | 66 | 166 | -133.1 | 169.6 | -123.8 | 0 | 0 | 114.5 | ||||
| 474 | E | 26.7 | Very low | 26.1 | Very low | 191 Ų | 191 | 169.4 Ų | 169.4 | 89% | 0.893 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -158.1 | 138.8 | 146 | -127.7 | 174.9 | -172.5 | 0 | 0 | 111 | ||
| 475 | E | 24.5 | Very low | 26.1 | Very low | 190 Ų | 190 | 169.4 Ų | 169.4 | 89% | 0.888 | 84% | 0.839 | S | S | * | * | trans | 55.9 | 125.6 | -169.1 | -57 | -166.5 | 159.2 | 0 | 0 | 114.9 | ||||
| 476 | T | 24.1 | Very low | 26.2 | Very low | 123 Ų | 123 | 168.1 Ų | 168.1 | 76% | 0.755 | 84% | 0.838 | S | S | * | * | cis | -142.8 | 148.7 | 14.8 | -43.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 477 | I | 28.5 | Very low | 26.3 | Very low | 151 Ų | 151 | 170.4 Ų | 170.4 | 77% | 0.774 | 84% | 0.842 | S | S | * | * | -168.9 | 141.3 | 79.1 | -78.2 | 156.8 | 0 | 0 | 0 | 108.8 | |||||
| 478 | Q | 27 | Very low | 26.3 | Very low | 196 Ų | 196 | 173.9 Ų | 173.9 | 92% | 0.916 | 85% | 0.845 | S | S | * | * | trans | -140.2 | 75.9 | 162.7 | -166.2 | 178.4 | 26.1 | 0 | 0 | 112.1 | ||||
| 479 | D | 25.7 | Very low | 26.3 | Very low | 108 Ų | 108 | 173.6 Ų | 173.6 | 58% | 0.578 | 84% | 0.844 | S | S | * | * | trans | -157.2 | 124.7 | 142.7 | -141.1 | 17.2 | 0 | 0 | 0 | 112.6 | ||||
| 480 | K | 28.1 | Very low | 26.8 | Very low | 165 Ų | 165 | 170 Ų | 170 | 72% | 0.717 | 84% | 0.84 | S | S | * | * | trans | 43.7 | 131.8 | 156 | -58.6 | 169.3 | -170.4 | 78.7 | 0 | 118.7 | ||||
| 481 | M | 24.3 | Very low | 26.6 | Very low | 166 Ų | 166 | 164.4 Ų | 164.4 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | cis | -146.1 | 167.9 | 42.5 | -79.5 | -175 | 65.6 | 0 | 0 | 114.9 | ||||
| 482 | E | 26.2 | Very low | 26.8 | Very low | 172 Ų | 172 | 166.7 Ų | 166.7 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -56.2 | 158 | 172.7 | -60.7 | 144.4 | 136.1 | 0 | 0 | 114.7 | ||||
| 483 | L | 25.5 | Very low | 26.8 | Very low | 172 Ų | 172 | 161.8 Ų | 161.8 | 90% | 0.901 | 83% | 0.833 | S | S | * | * | trans | -138 | 125.3 | 156.7 | -107.3 | 169.5 | 0 | 0 | 0 | 108.4 | ||||
| 484 | D | 26.9 | Very low | 26.7 | Very low | 156 Ų | 156 | 156.5 Ų | 156.5 | 83% | 0.834 | 83% | 0.831 | S | S | * | * | trans | -72.2 | 142.9 | 169.8 | -81.4 | -56.4 | 0 | 0 | 0 | 110.9 | ||||
| 485 | E | 27.2 | Very low | 26.7 | Very low | 198 Ų | 198 | 151.9 Ų | 151.9 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | trans | -149.5 | 102.8 | 139.6 | -129.8 | 176.2 | -150.9 | 0 | 0 | 112 | ||||
| 486 | D | 27.7 | Very low | 26.9 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 83% | 0.829 | 82% | 0.82 | S | S | * | * | trans | 17.1 | 130.3 | 164.5 | -83.2 | -38.7 | 0 | 0 | 0 | 122.2 | ||||
| 487 | K | 28 | Very low | 27.2 | Very low | 206 Ų | 206 | 148.1 Ų | 148.1 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | trans | -117.5 | 135.6 | 144.5 | -97 | -174.9 | 178.7 | 174.4 | 0 | 111.8 | ||||
| 488 | Q | 27.5 | Very low | 27.3 | Very low | 194 Ų | 194 | 145.1 Ų | 145.1 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | -68.9 | 141 | -173.1 | -65.3 | 166.9 | -7.6 | 0 | 0 | 113.1 | ||||
| 489 | Q | 26.2 | Very low | 27.5 | Very low | 180 Ų | 180 | 141.7 Ų | 141.7 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -62.5 | 171 | 159.6 | -81.2 | -173.3 | 9.8 | 0 | 0 | 112.4 | ||||
| 490 | P | 36.6 | Very low | 27.6 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | cis | -134 | 179.4 | -18 | 30.4 | -10.7 | 0 | 0 | 0 | 113.9 | ||||
| 491 | G | 24.3 | Very low | 27.7 | Very low | 68 Ų | 68 | 141.4 Ų | 141.4 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | 131.4 | 137.1 | 132 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 492 | E | 27.6 | Very low | 27.9 | Very low | 205 Ų | 205 | 141.1 Ų | 141.1 | 96% | 0.958 | 81% | 0.809 | S | S | * | * | trans | 63.4 | 133.7 | 148.7 | -55 | -162.4 | 147.1 | 0 | 0 | 123.1 | ||||
| 493 | G | 24 | Very low | 28.1 | Very low | 83 Ų | 83 | 140.1 Ų | 140.1 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | 99.5 | 91.4 | 125.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 494 | G | 24.8 | Very low | 28.4 | Very low | 85 Ų | 85 | 139.5 Ų | 139.5 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | -99.8 | 171.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 495 | A | 25.5 | Very low | 29.3 | Very low | 94 Ų | 94 | 137.1 Ų | 137.1 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | -154.9 | 126.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 496 | A | 30.1 | Very low | 29.4 | Very low | 92 Ų | 92 | 136.9 Ų | 136.9 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | 69.1 | 131.8 | 72 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 497 | D | 30.3 | Very low | 29.4 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | cis | -161.5 | 160.6 | 8.2 | -145.1 | -27.4 | 0 | 0 | 0 | 114.3 | ||||
| 498 | S | 30.7 | Very low | 29.3 | Very low | 88 Ų | 88 | 128.8 Ų | 128.8 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | trans | 56.6 | 126.3 | 142.7 | -76.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 499 | V | 31.4 | Very low | 29.2 | Very low | 123 Ų | 123 | 126 Ų | 126 | 75% | 0.745 | 78% | 0.776 | S | S | * | * | 76 | 133.3 | 82.1 | 172 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 500 | E | 27.7 | Very low | 29.4 | Very low | 172 Ų | 172 | 121.2 Ų | 121.2 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | -162.2 | 129.7 | 51.6 | -142.6 | 152.9 | -163.2 | 0 | 0 | 109.4 | |||||
| 501 | S | 29.2 | Very low | 29 | Very low | 95 Ų | 95 | 122.6 Ų | 122.6 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | 81.3 | 129.1 | 90.4 | -51.5 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 502 | Q | 29.3 | Very low | 29.3 | Very low | 160 Ų | 160 | 127.8 Ų | 127.8 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 72.8 | 132 | 146 | -77 | 171.6 | -89.3 | 0 | 0 | 125.6 | ||||
| 503 | E | 29.5 | Very low | 29.3 | Very low | 152 Ų | 152 | 124 Ų | 124 | 71% | 0.71 | 76% | 0.764 | S | S | * | * | trans | 77 | 95.1 | 135.8 | -72 | 166.7 | -153.4 | 0 | 0 | 124.4 | ||||
| 504 | I | 31.8 | Very low | 29.3 | Very low | 158 Ų | 158 | 124.6 Ų | 124.6 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | 21.6 | 126 | 108 | -49.4 | 176.6 | 0 | 0 | 0 | 115.5 | |||||
| 505 | P | 46.2 | Very low | 29.4 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | -155.1 | -178.9 | 66.6 | 43.6 | -22.6 | 0 | 0 | 0 | 119.7 | |||||
| 506 | E | 29 | Very low | 29.4 | Very low | 193 Ų | 193 | 126 Ų | 126 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | trans | 7 | 153 | 143.2 | -57.5 | 163.7 | -169.4 | 0 | 0 | 120.8 | ||||
| 507 | G | 27.9 | Very low | 29.4 | Very low | 63 Ų | 63 | 130.2 Ų | 130.2 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | cis | 162.1 | 170.4 | -0.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 508 | T | 26.3 | Very low | 29.2 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | 58.7 | 126.9 | 161.3 | 50.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 509 | T | 25.1 | Very low | 29.1 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | trans | 57.3 | 164.2 | 139.8 | 58.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 510 | A | 29.8 | Very low | 28.9 | Very low | 78 Ų | 78 | 133.6 Ų | 133.6 | 65% | 0.645 | 76% | 0.762 | S | S | * | * | cis | -177.1 | 163.7 | -33.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 511 | D | 28.3 | Very low | 29 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | 64.7 | 129.1 | 155.7 | -63.2 | -25.9 | 0 | 0 | 0 | 125 | ||||
| 512 | E | 30.8 | Very low | 29.1 | Very low | 176 Ų | 176 | 134.7 Ų | 134.7 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | 89.3 | 135 | 130.2 | -83.1 | -160.9 | 158.8 | 0 | 0 | 127.1 | ||||
| 513 | V | 27.2 | Very low | 29.1 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 76% | 0.758 | 76% | 0.758 | S | S | * | * | trans | 65.9 | 117 | 147 | -177.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 514 | A | 25.4 | Very low | 29.1 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | trans | -159.9 | 152.4 | 140.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 515 | V | 26.9 | Very low | 29 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 92% | 0.915 | 75% | 0.748 | S | S | * | * | trans | -143 | 145.4 | -179.7 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 516 | G | 25.3 | Very low | 28.5 | Very low | 56 Ų | 56 | 135.6 Ų | 135.6 | 58% | 0.577 | 75% | 0.751 | S | S | * | * | trans | 156.1 | 133.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 517 | E | 28.8 | Very low | 28.6 | Very low | 182 Ų | 182 | 133.2 Ų | 133.2 | 85% | 0.85 | 74% | 0.743 | S | S | * | * | cis | 70.2 | 129.2 | 49.6 | -61 | 179.2 | 172.5 | 0 | 0 | 112.2 | ||||
| 518 | E | 27.1 | Very low | 28.8 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | cis | -154.2 | -171.6 | 5.4 | -134.2 | -173.4 | -176 | 0 | 0 | 114 | ||||
| 519 | E | 28.4 | Very low | 29.2 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | -64.9 | 152.9 | -163.3 | -46.1 | -174.6 | 132.5 | 0 | 0 | 119.4 | ||||
| 520 | S | 26.6 | Very low | 29.6 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | 163.1 | 125.1 | 109.4 | -78.2 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 521 | K | 29.7 | Very low | 29.3 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 70% | 0.7 | 74% | 0.741 | S | S | * | * | 42.5 | 144.7 | 127.5 | -66.4 | 176.8 | -179.7 | 131.4 | 0 | 120.7 | |||||
| 522 | D | 31.5 | Very low | 29.4 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 68% | 0.684 | 74% | 0.737 | S | S | * | * | cis | -170.2 | 170.4 | 4.1 | -99.5 | -22 | 0 | 0 | 0 | 106.4 | ||||
| 523 | L | 30.4 | Very low | 29.4 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | cis | -164.7 | -174.6 | 4.3 | -124.5 | 170.6 | 0 | 0 | 0 | 109.1 | ||||
| 524 | K | 28.7 | Very low | 29.5 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 68% | 0.683 | 73% | 0.729 | S | S | * | * | trans | 76.1 | 145.2 | 168.2 | -53.5 | -168.2 | 154.8 | -73 | 0 | 117.2 | ||||
| 525 | E | 30.3 | Very low | 29.7 | Very low | 136 Ų | 136 | 142 Ų | 142 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | cis | -179.1 | 155.3 | -17.9 | -105.1 | 144.9 | -153.9 | 0 | 0 | 105.3 | ||||
| 526 | E | 36.3 | Very low | 29.7 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | cis | -167.4 | 145.2 | -16 | -167.5 | 172 | -93.1 | 0 | 0 | 105.9 | ||||
| 527 | I | 29.6 | Very low | 29.9 | Very low | 143 Ų | 143 | 143.9 Ų | 143.9 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | 175.3 | 108 | 102.9 | -85.3 | 171.1 | 0 | 0 | 0 | 109.2 | |||||
| 528 | T | 31.8 | Very low | 29.9 | Very low | 104 Ų | 104 | 142.3 Ų | 142.3 | 64% | 0.638 | 73% | 0.732 | S | S | * | * | trans | 22.2 | 150.4 | 133.4 | 44.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 529 | E | 34.4 | Very low | 29.9 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | cis | -172.4 | 170 | -12.4 | -123.3 | -174.7 | -97 | 0 | 0 | 108.3 | ||||
| 530 | H | 34.4 | Very low | 29.8 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 73% | 0.731 | 73% | 0.729 | S | S | * | * | cis | -141.4 | -138.4 | -12.5 | -156 | 1.2 | 0 | 0 | 0 | 107.9 | ||||
| 531 | M | 24.1 | Very low | 29.9 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | cis | -154.7 | 178.6 | -2.3 | -147.5 | -174.4 | 79.5 | 0 | 0 | 109.3 | ||||
| 532 | K | 29.8 | Very low | 29.7 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 73% | 0.726 | 73% | 0.729 | S | S | * | * | trans | -157.7 | -179.9 | 177.7 | -115.2 | -164.4 | 160.9 | -169.9 | 0 | 111.7 | ||||
| 533 | V | 30.4 | Very low | 29.6 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 65% | 0.648 | 73% | 0.73 | S | S | * | * | cis | -110 | -118.5 | 10.9 | -157 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 534 | T | 28.9 | Very low | 29.6 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 77% | 0.767 | 73% | 0.733 | S | S | * | * | cis | -156.7 | 157.6 | 1.7 | -39.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 535 | E | 30.6 | Very low | 29.8 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 77% | 0.771 | 73% | 0.734 | S | S | * | * | trans | -133.1 | 177.6 | -177.3 | -71.7 | 168.1 | 107 | 0 | 0 | 112.5 | ||||
| 536 | D | 27.8 | Very low | 29.8 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 93% | 0.93 | 74% | 0.735 | S | S | * | * | trans | 65.5 | 160.1 | 161.4 | -80.8 | -14.1 | 0 | 0 | 0 | 120.7 | ||||
| 537 | G | 29.4 | Very low | 29.5 | Very low | 71 Ų | 71 | 139.5 Ų | 139.5 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | trans | -154.5 | 157.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 538 | I | 27.9 | Very low | 29.5 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | -159.9 | 126.1 | 175.4 | -116.3 | 159.9 | 0 | 0 | 0 | 112.3 | ||||
| 539 | K | 27.1 | Very low | 29.3 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | 50.2 | 136.6 | 141.9 | -59.1 | 171.8 | -174.7 | 169 | 0 | 123.8 | ||||
| 540 | N | 26.9 | Very low | 29 | Very low | 140 Ų | 140 | 139.3 Ų | 139.3 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | 86.1 | 157.6 | 129.7 | -77.7 | 13.8 | 0 | 0 | 0 | 122.5 | |||||
| 541 | I | 27.6 | Very low | 28.8 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | trans | 74.2 | 136.8 | 161.4 | -72 | 148.7 | 0 | 0 | 0 | 115.5 | ||||
| 542 | T | 27.1 | Very low | 29 | Very low | 101 Ų | 101 | 135 Ų | 135 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | cis | 174.6 | 175.2 | -43.4 | 35.7 | 0 | 0 | 0 | 0 | 105 | ||||
| 543 | D | 29 | Very low | 29.1 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | trans | 74.8 | 141.7 | 164.2 | -45.3 | -44.2 | 0 | 0 | 0 | 115.8 | ||||
| 544 | E | 30.5 | Very low | 29.4 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | cis | -147.4 | -176.8 | -2.3 | -133.7 | 175.5 | 177.3 | 0 | 0 | 112.7 | ||||
| 545 | T | 31.5 | Very low | 29.3 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | trans | -61.8 | 174.6 | -176.7 | 47.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 546 | V | 30.9 | Very low | 29.3 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 64% | 0.642 | 74% | 0.736 | S | S | * | * | -169.8 | 147.4 | 50.9 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 547 | E | 30.1 | Very low | 29.4 | Very low | 167 Ų | 167 | 129.3 Ų | 129.3 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | trans | 57.6 | 169.6 | 158.7 | -76.4 | 166.4 | -153 | 0 | 0 | 119.7 | ||||
| 548 | N | 29.4 | Very low | 29.7 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | cis | -158.7 | 134.8 | -47.6 | -109 | -3.7 | 0 | 0 | 0 | 108.7 | ||||
| 549 | V | 28.2 | Very low | 30 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | 47 | 138.2 | 126 | -170.6 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 550 | D | 27.9 | Very low | 30.4 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 83% | 0.834 | 73% | 0.732 | S | S | * | * | trans | 68.1 | 158.2 | 166 | -69.6 | -21.2 | 0 | 0 | 0 | 118.7 | ||||
| 551 | A | 29.5 | Very low | 30.5 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 65% | 0.653 | 73% | 0.731 | S | S | * | * | cis | -169 | 177.9 | -28.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 552 | D | 28.7 | Very low | 31 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | trans | 14.2 | 123.8 | 163 | -85.3 | -51.7 | 0 | 0 | 0 | 120.7 | ||||
| 553 | N | 32.1 | Very low | 31.2 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | 94.4 | 128.3 | 57.3 | -179.8 | 19.4 | 0 | 0 | 0 | 115 | |||||
| 554 | S | 35.7 | Very low | 31.2 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | trans | 60.7 | 122.2 | 160.1 | -71.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 555 | Q | 27.6 | Very low | 31.1 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | 173.2 | 124.6 | 113.8 | -93.6 | -169.3 | 2.9 | 0 | 0 | 110.4 | |||||
| 556 | S | 30.2 | Very low | 31.1 | Very low | 89 Ų | 89 | 133.8 Ų | 133.8 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | 59.5 | 132 | 84.5 | 81.6 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 557 | T | 31 | Very low | 31.1 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 73% | 0.73 | 76% | 0.757 | S | S | * | * | cis | -173.2 | 154.3 | 0.6 | 11.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 558 | L | 34.8 | Very low | 31.2 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | trans | 66 | 161 | 159.3 | -67.1 | 156.5 | 0 | 0 | 0 | 117.4 | ||||
| 559 | I | 35.4 | Very low | 31.2 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | cis | -145.2 | 144.5 | 19.7 | -57.6 | 163.8 | 0 | 0 | 0 | 111.3 | ||||
| 560 | D | 35 | Very low | 31.2 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | 43 | 155.5 | 158.4 | -58.4 | -26.7 | 0 | 0 | 0 | 122.5 | ||||
| 561 | T | 28.8 | Very low | 31.2 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | cis | -161.2 | 147.7 | 32 | -36.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 562 | K | 37.1 | Very low | 31.1 | Very low | 189 Ų | 189 | 136.8 Ų | 136.8 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | 10.5 | 151.6 | 155.5 | -55.9 | 175.6 | 179.4 | 176.2 | 0 | 121.5 | ||||
| 563 | I | 31 | Very low | 31.1 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | -162 | 151.9 | 60.3 | -73.7 | 173 | 0 | 0 | 0 | 112.9 | |||||
| 564 | N | 30 | Very low | 30.9 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | -10.1 | 159.4 | 163.5 | -45.3 | 8.2 | 0 | 0 | 0 | 121.7 | ||||
| 565 | G | 28 | Very low | 30.6 | Very low | 65 Ų | 65 | 143.1 Ų | 143.1 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | cis | 158.7 | 155.9 | -5.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 566 | D | 32.6 | Very low | 30.6 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | trans | 53.9 | 154.7 | 165.2 | -55.7 | -41.4 | 0 | 0 | 0 | 120.9 | ||||
| 567 | M | 30.5 | Very low | 30.4 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | cis | -161.8 | 142.9 | 29.6 | -164.8 | 170.4 | 162.7 | 0 | 0 | 115.6 | ||||
| 568 | D | 31.9 | Very low | 30.2 | Very low | 131 Ų | 131 | 140 Ų | 140 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | 22.9 | 125.3 | 159.1 | -65.5 | -45.3 | 0 | 0 | 0 | 125.7 | ||||
| 569 | S | 30.1 | Very low | 29.8 | Very low | 112 Ų | 112 | 141 Ų | 141 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | 170.8 | 124.9 | 103 | -77.6 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 570 | K | 28.2 | Very low | 29.4 | Very low | 197 Ų | 197 | 138.7 Ų | 138.7 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | trans | 70.5 | 121 | 148.3 | -69 | -174.7 | 174.4 | -179.5 | 0 | 124.1 | ||||
| 571 | S | 27.3 | Very low | 28.9 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | 51.5 | 109 | 147 | 53.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 572 | S | 26.5 | Very low | 28.7 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | 68.6 | 102.7 | 62 | -53.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 573 | V | 29.5 | Very low | 28 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | cis | 96.2 | 145.9 | 25.8 | -172.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 574 | E | 28.4 | Very low | 27.6 | Very low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | -95.2 | 169.5 | -156.1 | -57.6 | 167.2 | 126.1 | 0 | 0 | 116 | ||||
| 575 | E | 29.9 | Very low | 27.4 | Very low | 182 Ų | 182 | 140 Ų | 140 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | 44.8 | 121.4 | 144.2 | -76.9 | -156.9 | 165.6 | 0 | 0 | 124.3 | ||||
| 576 | S | 25.6 | Very low | 27.3 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | 95.2 | 136.9 | 120.5 | -158.2 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 577 | S | 27 | Very low | 27 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | trans | 81.8 | 105.7 | 151.4 | -71.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 578 | T | 26 | Very low | 27 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | 71.2 | 120.9 | 125.9 | 58.9 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 579 | E | 27 | Very low | 26.7 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | trans | 70 | 103.2 | 135.6 | -62.7 | -153.6 | 130.7 | 0 | 0 | 123.7 | ||||
| 580 | A | 26.7 | Very low | 26.8 | Very low | 92 Ų | 92 | 137.2 Ų | 137.2 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | 64.6 | 109.5 | 114.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 581 | V | 25.8 | Very low | 26.7 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 87% | 0.873 | 74% | 0.739 | S | S | * | * | trans | -133.3 | 134 | 142.7 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 582 | L | 22.8 | Very low | 26.9 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | trans | -24.3 | 153.5 | 165.5 | -69.9 | 157 | 0 | 0 | 0 | 120.6 | ||||
| 583 | E | 23.5 | Very low | 27.1 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | 70.9 | 149.3 | 140.9 | -80.6 | -153.3 | 113.3 | 0 | 0 | 121 | ||||
| 584 | N | 23 | Very low | 27 | Very low | 118 Ų | 118 | 136 Ų | 136 | 63% | 0.631 | 73% | 0.73 | S | S | * | * | cis | -167.7 | 163 | -22.4 | -149.7 | -26.1 | 0 | 0 | 0 | 109.8 | ||||
| 585 | R | 25 | Very low | 27.1 | Very low | 217 Ų | 217 | 134.5 Ų | 134.5 | 82% | 0.819 | 72% | 0.72 | S | S | * | * | trans | 66.1 | 154.6 | 159.1 | -64.5 | -171.2 | 96.1 | 160.7 | 11.2 | 118.4 | ||||
| 586 | S | 25.7 | Very low | 27.2 | Very low | 74 Ų | 74 | 131.1 Ų | 131.1 | 52% | 0.517 | 71% | 0.708 | S | S | . | * | cis | -165.2 | 164.5 | -3.9 | -119.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 587 | T | 27.5 | Very low | 27.3 | Very low | 112 Ų | 112 | 134 Ų | 134 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | trans | 65 | 144.9 | 148.6 | 49.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 588 | E | 28.9 | Very low | 27.6 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 58% | 0.584 | 72% | 0.715 | S | S | * | * | cis | -163.2 | 161.5 | -18.7 | -121.3 | 173 | 139.7 | 0 | 0 | 108.3 | Q590 | E588-Q590 PolarHBondContact OE1-NE2 2.95Š| ||
| 589 | N | 26.6 | Very low | 28.6 | Very low | 140 Ų | 140 | 134 Ų | 134 | 75% | 0.749 | 71% | 0.708 | S | S | * | * | -153 | 153.2 | 66.1 | -80.2 | -104.3 | 0 | 0 | 0 | 108.5 | |||||
| 590 | Q | 31.2 | Very low | 28.8 | Very low | 133 Ų | 133 | 133.7 Ų | 133.7 | 62% | 0.621 | 71% | 0.706 | S | S | * | * | 60.8 | 127.4 | 66.5 | -53.9 | -164.3 | 16.4 | 0 | 0 | 114.4 | E588 | E588-Q590 PolarHBondContact OE1-NE2 2.95Š| |||
| 591 | S | 26.5 | Very low | 29 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | cis | -129.2 | 142.3 | 38.1 | 3.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 592 | E | 32.3 | Very low | 29.1 | Very low | 173 Ų | 173 | 135.7 Ų | 135.7 | 81% | 0.808 | 70% | 0.702 | S | S | * | * | 62.4 | 129.2 | 93.5 | -59.7 | -175 | 144.8 | 0 | 0 | 115 | |||||
| 593 | E | 30.9 | Very low | 29.3 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | cis | -147.5 | -170.4 | -10.8 | -124.2 | -136.3 | 108.5 | 0 | 0 | 107.6 | K595 | E593-K595 WeakPolarHBondContact OE1-CG 3.06Š| ||
| 594 | T | 27.5 | Very low | 30.7 | Very low | 113 Ų | 113 | 135 Ų | 135 | 69% | 0.693 | 71% | 0.705 | S | S | * | * | cis | -159.7 | 148.8 | 28.8 | -19.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 595 | K | 30.6 | Very low | 31.8 | Very low | 144 Ų | 144 | 134 Ų | 134 | 63% | 0.626 | 71% | 0.705 | S | S | * | * | trans | 8.1 | 152.3 | 142.5 | -63.7 | -168 | 143.5 | -67.4 | 0 | 122.3 | E593 | E593-K595 WeakPolarHBondContact OE1-CG 3.06Š| ||
| 596 | D | 31 | Very low | 31.8 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 60% | 0.599 | 70% | 0.703 | S | S | * | * | cis | -169.4 | 158.5 | -3.5 | -87.1 | -20.3 | 0 | 0 | 0 | 104.2 | ||||
| 597 | E | 28.3 | Very low | 31.8 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 76% | 0.762 | 71% | 0.711 | S | S | * | * | cis | -154.7 | 156 | -5.9 | -96 | 171.7 | 127.7 | 0 | 0 | 105.2 | ||||
| 598 | V | 32.5 | Very low | 31.8 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | cis | 78.3 | 135 | 43.5 | 178.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 599 | P | 47.9 | Very low | 31.8 | Very low | 95 Ų | 95 | 138.1 Ų | 138.1 | 62% | 0.617 | 72% | 0.719 | S | S | * | * | cis | -134.6 | 170 | 3.7 | 38.7 | -19.1 | 0 | 0 | 0 | 118.7 | ||||
| 600 | E | 31.6 | Very low | 31.9 | Very low | 174 Ų | 174 | 139.5 Ų | 139.5 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | 35.6 | 166.8 | 127 | -48.9 | 167.6 | 130.6 | 0 | 0 | 122.7 | |||||
| 601 | E | 29.4 | Very low | 31.8 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | cis | -159.7 | 164.1 | 8.4 | -148.2 | -175.9 | 178.6 | 0 | 0 | 113.2 | ||||
| 602 | S | 28.4 | Very low | 31.9 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | trans | 76.7 | 150.5 | 147.6 | 75.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 603 | E | 26.4 | Very low | 31.7 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 84% | 0.841 | 72% | 0.719 | S | S | * | * | trans | -109.9 | -172.8 | 171.8 | -53.6 | -175.1 | 124.2 | 0 | 0 | 110.8 | ||||
| 604 | P | 54.7 | Low | 31.5 | Very low | 112 Ų | 112 | 140 Ų | 140 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | -118.7 | -113.5 | -60.7 | 31.9 | -12.7 | 0 | 0 | 0 | 110 | |||||
| 605 | P | 45.1 | Very low | 31.8 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | -126.4 | 176.3 | -55.3 | 37.2 | -21.2 | 0 | 0 | 0 | 116.2 | |||||
| 606 | K | 25.6 | Very low | 31.7 | Very low | 178 Ų | 178 | 144.9 Ų | 144.9 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | trans | 75.6 | 132.8 | 148.2 | -83.7 | 175.3 | -177.4 | 178.9 | 0 | 122.8 | ||||
| 607 | Q | 25.8 | Very low | 31.6 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | trans | 72.3 | 123.3 | 144.1 | -67.5 | -170.3 | -86.4 | 0 | 0 | 118.1 | ||||
| 608 | E | 26.7 | Very low | 31.6 | Very low | 154 Ų | 154 | 147.1 Ų | 147.1 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | 66.2 | 132 | 76.6 | -66.9 | 178.7 | 148.5 | 0 | 0 | 112.7 | |||||
| 609 | N | 28.4 | Very low | 31.5 | Very low | 135 Ų | 135 | 147 Ų | 147 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | cis | -160.4 | 176.9 | 8.4 | -148.3 | -17.5 | 0 | 0 | 0 | 112.3 | ||||
| 610 | E | 29.7 | Very low | 30.6 | Very low | 170 Ų | 170 | 152.6 Ų | 152.6 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | trans | 65.4 | 149.1 | 164.2 | -65.7 | 178.4 | -153.2 | 0 | 0 | 118.1 | ||||
| 611 | S | 28 | Very low | 30.6 | Very low | 98 Ų | 98 | 148.8 Ų | 148.8 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | cis | -164.5 | -166 | -18.2 | 54.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 612 | K | 28.7 | Very low | 31.2 | Very low | 176 Ų | 176 | 146.7 Ų | 146.7 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | cis | -173.4 | 168.9 | 10 | -143.5 | -174.9 | 175.5 | 179.3 | 0 | 109.6 | ||||
| 613 | V | 29.2 | Very low | 31.2 | Very low | 105 Ų | 105 | 146 Ų | 146 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | trans | 68.7 | 142 | 151.4 | 160.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 614 | E | 26.3 | Very low | 31.3 | Very low | 180 Ų | 180 | 146 Ų | 146 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | cis | -139.6 | -152.9 | 2.6 | -146.3 | 129.8 | -118.8 | 0 | 0 | 112.9 | ||||
| 615 | E | 33 | Very low | 30 | Very low | 183 Ų | 183 | 145 Ų | 145 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | trans | -118 | -162.2 | -156.7 | -141.2 | 175.6 | 154.6 | 0 | 0 | 115.6 | ||||
| 616 | E | 28.5 | Very low | 29.1 | Very low | 178 Ų | 178 | 147.5 Ų | 147.5 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | 83.7 | 143.8 | 174.9 | -60.3 | -164.7 | 157 | 0 | 0 | 119.1 | ||||
| 617 | L | 30.4 | Very low | 29.3 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | cis | -169.6 | 168.7 | -30.7 | -120.4 | 173.7 | 0 | 0 | 0 | 110.3 | ||||
| 618 | E | 28.3 | Very low | 29.3 | Very low | 178 Ų | 178 | 146 Ų | 146 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | 61.5 | 171.8 | 164.8 | -69.2 | -171.6 | 167.3 | 0 | 0 | 119.3 | ||||
| 619 | E | 30.2 | Very low | 29.4 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 58% | 0.584 | 76% | 0.757 | S | S | * | * | -162.5 | 159.5 | -52.9 | -158.2 | -145.8 | -159 | 0 | 0 | 110.4 | |||||
| 620 | R | 27.9 | Very low | 29.3 | Very low | 213 Ų | 213 | 145.2 Ų | 145.2 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 66.9 | 169 | 157.5 | -93.5 | -177.3 | -178.8 | 98.7 | 10.8 | 121.4 | ||||
| 621 | A | 31 | Very low | 29.4 | Very low | 93 Ų | 93 | 143.4 Ų | 143.4 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -144.1 | 156.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 622 | P | 42.2 | Very low | 29.3 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | trans | -130.5 | 173.7 | 160.3 | 29.3 | -9.8 | 0 | 0 | 0 | 113.5 | ||||
| 623 | S | 28.5 | Very low | 29.2 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | cis | -174.9 | 164.3 | -30.1 | 58.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 624 | E | 28.3 | Very low | 29.1 | Very low | 179 Ų | 179 | 146.9 Ų | 146.9 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | 68.9 | 166 | 160.7 | -60.9 | -175.4 | 177.9 | 0 | 0 | 120.1 | ||||
| 625 | S | 27.6 | Very low | 29 | Very low | 91 Ų | 91 | 143.4 Ų | 143.4 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | -178.1 | 139.9 | -74.5 | 49.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 626 | N | 26.7 | Very low | 28.8 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 171.4 | 133.2 | 156.4 | -88.4 | -31.3 | 0 | 0 | 0 | 107.1 | ||||
| 627 | Q | 30 | Very low | 28.7 | Very low | 171 Ų | 171 | 139 Ų | 139 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | cis | 67 | 135.4 | 38.8 | -57.7 | -163.8 | 1.5 | 0 | 0 | 113 | ||||
| 628 | V | 25.7 | Very low | 28.5 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | cis | -143 | 128.6 | 26.7 | 178.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 629 | S | 28.1 | Very low | 28.4 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | 65.5 | 128.3 | 78.5 | -37.2 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 630 | D | 27.2 | Very low | 28.3 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | trans | -159.9 | 157.9 | 138.3 | -134.3 | -22.8 | 0 | 0 | 0 | 110.9 | ||||
| 631 | D | 30.6 | Very low | 28.3 | Very low | 132 Ų | 132 | 133 Ų | 133 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -136.5 | 133.7 | -149.8 | -159.8 | -30.6 | 0 | 0 | 0 | 115.4 | K633 | D631-K633 PolarHBondContact OD1-N 2.02Å; D631-K633 VanDerWaalsContact OD1-N 3.11Å | ||
| 632 | V | 27 | Very low | 28 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | -145.3 | 76.1 | 155.1 | -165.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 633 | K | 25.8 | Very low | 27.2 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | 36.4 | 108.4 | 118.7 | -176.7 | -166.3 | 179.4 | 179 | 0 | 119.9 | D631 | D631-K633 PolarHBondContact OD1-N 2.02Å; D631-K633 VanDerWaalsContact OD1-N 3.11Å | |||
| 634 | V | 27.3 | Very low | 27.2 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 89% | 0.885 | 77% | 0.766 | S | S | * | * | -143 | 151.1 | 121.5 | 176.3 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 635 | T | 25.1 | Very low | 27.1 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | trans | -117.2 | 148.8 | -162.3 | 54.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 636 | S | 27.5 | Very low | 27 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | 38.4 | 149.5 | 136.9 | 68.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 637 | E | 27.3 | Very low | 27 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | cis | -178.8 | 148.6 | -7.8 | -106.1 | 173.6 | 166.6 | 0 | 0 | 104.8 | ||||
| 638 | V | 24.9 | Very low | 26.9 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | trans | -146.6 | 127.9 | 149.7 | -175.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 639 | S | 26.7 | Very low | 27 | Very low | 93 Ų | 93 | 134.7 Ų | 134.7 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | trans | -118 | 138.6 | 174.7 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 640 | E | 28.6 | Very low | 27.2 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | 59.2 | 170.5 | 132 | -152.1 | -179.2 | -132.6 | 0 | 0 | 121.5 | ||||
| 641 | V | 27.4 | Very low | 27.3 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 67% | 0.667 | 75% | 0.748 | S | S | * | * | trans | 88.5 | 149.9 | 157.1 | -155.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 642 | I | 25.1 | Very low | 27.1 | Very low | 159 Ų | 159 | 133 Ų | 133 | 82% | 0.815 | 75% | 0.751 | S | S | * | * | trans | 95.5 | 131.8 | 165 | -51.7 | 177.2 | 0 | 0 | 0 | 115.6 | ||||
| 643 | S | 25.5 | Very low | 27.4 | Very low | 88 Ų | 88 | 135 Ų | 135 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | cis | 176.4 | 149.9 | -39.2 | -99.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 644 | Q | 27.8 | Very low | 27.6 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | 64 | 105.6 | 150.7 | -69 | -179.7 | -63.5 | 0 | 0 | 123.3 | ||||
| 645 | D | 26.8 | Very low | 27.6 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | 86.5 | 155.2 | 103.3 | -142.5 | -2.5 | 0 | 0 | 0 | 123.4 | |||||
| 646 | V | 26.5 | Very low | 27.7 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | trans | 84.2 | 82.9 | 164.2 | -161.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 647 | S | 25.6 | Very low | 27.7 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | 49.1 | 139.9 | 119.6 | -46.4 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 648 | V | 27.6 | Very low | 27.7 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | 156.8 | 121.1 | 115.1 | 162 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 649 | K | 27.7 | Very low | 27.9 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 66% | 0.661 | 75% | 0.75 | S | S | * | * | trans | 55.3 | 125.2 | 149 | -71.3 | -178.7 | 163.8 | -75.2 | 0 | 122.3 | ||||
| 650 | E | 32.8 | Very low | 28 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 66% | 0.659 | 76% | 0.756 | S | S | * | * | 77.7 | 145.9 | 97.1 | -65.3 | 163.2 | -171.8 | 0 | 0 | 114.6 | |||||
| 651 | D | 29.2 | Very low | 28 | Very low | 151 Ų | 151 | 134 Ų | 134 | 81% | 0.807 | 75% | 0.747 | S | S | * | * | cis | -153.6 | 165.3 | 14.1 | -142 | -22.8 | 0 | 0 | 0 | 111.8 | ||||
| 652 | G | 27 | Very low | 27.9 | Very low | 76 Ų | 76 | 134.4 Ų | 134.4 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | trans | 160.9 | 46 | 172.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 653 | E | 34.2 | Very low | 28.1 | Very low | 183 Ų | 183 | 131 Ų | 131 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | trans | -84.5 | 142.4 | 178.8 | -72.5 | -165.1 | 134.5 | 0 | 0 | 116.9 | ||||
| 654 | K | 28.4 | Very low | 28.2 | Very low | 213 Ų | 213 | 135.2 Ų | 135.2 | 93% | 0.926 | 75% | 0.75 | S | S | * | * | trans | 172.4 | 145.6 | 136 | -95.7 | 160.8 | -176.1 | 177 | 0 | 109.5 | ||||
| 655 | G | 27.5 | Very low | 28.1 | Very low | 58 Ų | 58 | 133.7 Ų | 133.7 | 60% | 0.598 | 75% | 0.747 | S | S | * | * | cis | 136.3 | 78.4 | 7.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 656 | T | 27.1 | Very low | 28 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | 85.1 | 141.3 | 100.8 | 49.7 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 657 | Q | 28.2 | Very low | 28 | Very low | 193 Ų | 193 | 132 Ų | 132 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | trans | 70.6 | 162 | 168.9 | -67.2 | 177.6 | -31.9 | 0 | 0 | 117.9 | ||||
| 658 | A | 28.4 | Very low | 28 | Very low | 68 Ų | 68 | 132.2 Ų | 132.2 | 56% | 0.562 | 75% | 0.748 | S | S | * | * | cis | -178.7 | 156.7 | -36.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 659 | D | 28.9 | Very low | 27.9 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | trans | 60.9 | 164.6 | 160 | -52.3 | -30.1 | 0 | 0 | 0 | 116.8 | ||||
| 660 | E | 28.6 | Very low | 27.8 | Very low | 165 Ų | 165 | 131 Ų | 131 | 77% | 0.771 | 74% | 0.743 | S | S | * | * | cis | -153.3 | 157.1 | -24.1 | -118.7 | -160.3 | 124.3 | 0 | 0 | 108.8 | ||||
| 661 | V | 28.6 | Very low | 27.5 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 66% | 0.655 | 75% | 0.746 | S | S | * | * | trans | 32.8 | 125.3 | 137.4 | -174.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 662 | T | 24.8 | Very low | 27.4 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | -180 | 166.6 | 70.6 | -22.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 663 | S | 28.4 | Very low | 27.5 | Very low | 88 Ų | 88 | 131.9 Ų | 131.9 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | trans | 69.5 | 135.8 | 149 | -67.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 664 | Q | 27.9 | Very low | 27.1 | Very low | 176 Ų | 176 | 128.5 Ų | 128.5 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | 60.8 | 134.5 | 64.5 | -60.5 | -177.8 | -66 | 0 | 0 | 112.4 | |||||
| 665 | D | 25.7 | Very low | 26.9 | Very low | 145 Ų | 145 | 124.9 Ų | 124.9 | 78% | 0.775 | 71% | 0.714 | S | S | * | * | cis | -138.8 | -150.1 | 30.1 | -149.5 | -35 | 0 | 0 | 0 | 114.1 | ||||
| 666 | S | 25.6 | Very low | 26.8 | Very low | 92 Ų | 92 | 126 Ų | 126 | 64% | 0.643 | 71% | 0.713 | S | S | * | * | trans | -130 | -161.7 | -157.6 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 667 | V | 26.1 | Very low | 26.8 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 78% | 0.782 | 71% | 0.714 | S | S | * | * | trans | 79 | 102.4 | 173.3 | -176.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 668 | S | 25.1 | Very low | 26.7 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | 82 | 149.2 | 90.2 | -112.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 669 | V | 26.3 | Very low | 26.7 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 66% | 0.655 | 72% | 0.717 | S | S | * | * | cis | -169.2 | 166.4 | -7.4 | 93.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 670 | Q | 25.5 | Very low | 26.6 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | trans | 64.3 | 158.9 | 167.5 | -79.5 | 165.2 | -59 | 0 | 0 | 116.2 | ||||
| 671 | E | 25.9 | Very low | 26.6 | Very low | 156 Ų | 156 | 129.4 Ų | 129.4 | 73% | 0.729 | 71% | 0.708 | S | S | * | * | cis | -147.8 | -176.3 | -8.8 | -137 | 144.8 | -153.9 | 0 | 0 | 113.3 | ||||
| 672 | S | 27.3 | Very low | 26.4 | Very low | 86 Ų | 86 | 132.2 Ų | 132.2 | 60% | 0.601 | 71% | 0.714 | S | S | * | * | trans | -68.2 | -151.8 | -168.6 | 60.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 673 | E | 28.4 | Very low | 26.5 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 67% | 0.668 | 72% | 0.718 | S | S | * | * | trans | 79.3 | 110.3 | -178.7 | -51.8 | -40.7 | 113 | 0 | 0 | 114.7 | ||||
| 674 | T | 25.6 | Very low | 26.5 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | 70.2 | 142.4 | 65.7 | 75.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 675 | D | 24.1 | Very low | 27.5 | Very low | 138 Ų | 138 | 129.5 Ų | 129.5 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | cis | -155.5 | 174 | 4 | -157.5 | 23.9 | 0 | 0 | 0 | 114 | ||||
| 676 | S | 26.6 | Very low | 27.7 | Very low | 82 Ų | 82 | 126.3 Ų | 126.3 | 57% | 0.573 | 72% | 0.722 | S | S | * | * | trans | 44.4 | 120 | 144.2 | -72.5 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 677 | E | 25.8 | Very low | 28 | Very low | 179 Ų | 179 | 128.1 Ų | 128.1 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | 52.1 | 121.2 | 127.4 | -56.7 | -152.7 | 121.2 | 0 | 0 | 124.2 | |||||
| 678 | S | 27.9 | Very low | 28.1 | Very low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | 146.6 | 148.8 | 97.5 | 63.9 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 679 | R | 27.6 | Very low | 28.4 | Very low | 204 Ų | 204 | 130.2 Ų | 130.2 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | trans | 61.3 | 120.4 | 146.2 | -82.3 | -177.4 | 137.4 | 129.7 | -1.5 | 123.8 | ||||
| 680 | M | 26.2 | Very low | 28.6 | Very low | 146 Ų | 146 | 129.5 Ų | 129.5 | 72% | 0.719 | 72% | 0.723 | S | S | * | * | 69.9 | 150.7 | 126.5 | -66.4 | 171.5 | 169.5 | 0 | 0 | 119 | |||||
| 681 | E | 28.2 | Very low | 28.9 | Very low | 144 Ų | 144 | 128.2 Ų | 128.2 | 67% | 0.673 | 72% | 0.721 | S | S | * | * | cis | -158.1 | 162.7 | 1.8 | -131.2 | -163.6 | 140.3 | 0 | 0 | 113.2 | ||||
| 682 | Q | 26.4 | Very low | 29.4 | Very low | 168 Ų | 168 | 127.3 Ų | 127.3 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | 56.9 | 144.8 | 154.8 | -63.9 | -175 | 29.3 | 0 | 0 | 122.9 | ||||
| 683 | G | 25.6 | Very low | 29.7 | Very low | 78 Ų | 78 | 129.7 Ų | 129.7 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | 177.6 | 19.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 684 | S | 29.2 | Very low | 30 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 84% | 0.839 | 73% | 0.725 | S | S | * | * | trans | -78 | 169.8 | 175.7 | -38.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 685 | P | 48.4 | Very low | 30.2 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | cis | -139.9 | -160.3 | 31.9 | 38.8 | -13.1 | 0 | 0 | 0 | 113.4 | ||||
| 686 | A | 30.2 | Very low | 30.7 | Very low | 79 Ų | 79 | 129.8 Ų | 129.8 | 65% | 0.653 | 73% | 0.73 | S | S | * | * | cis | -166.6 | 175.6 | 17 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 687 | V | 30.8 | Very low | 30.8 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 79% | 0.788 | 74% | 0.741 | S | S | * | * | trans | 72.8 | 124 | 145.9 | 164.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 688 | T | 30.1 | Very low | 31.1 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | cis | -162.9 | 136.9 | 3.5 | 12.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 689 | K | 30.7 | Very low | 31 | Very low | 173 Ų | 173 | 128.3 Ų | 128.3 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | 53.8 | 156.7 | 122.9 | -79 | -167.4 | 174.9 | -161 | 0 | 121.8 | |||||
| 690 | S | 29.4 | Very low | 31.1 | Very low | 93 Ų | 93 | 124.5 Ų | 124.5 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | cis | -176.6 | 166.6 | -0.6 | 40.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 691 | D | 33 | Very low | 31.2 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 65% | 0.647 | 75% | 0.746 | S | S | * | * | cis | -176.2 | -175.7 | -20.8 | -83.9 | -31.1 | 0 | 0 | 0 | 106.6 | ||||
| 692 | V | 35.6 | Very low | 31.4 | Very low | 136 Ų | 136 | 121.5 Ų | 121.5 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | 82.5 | 133 | 161.3 | -169.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 693 | E | 33.2 | Very low | 31.7 | Very low | 137 Ų | 137 | 118.4 Ų | 118.4 | 64% | 0.64 | 76% | 0.756 | S | S | * | * | cis | -170.6 | 131.4 | -37.6 | -93 | -103.9 | 106.6 | 0 | 0 | 104.8 | ||||
| 694 | K | 34.7 | Very low | 32 | Very low | 143 Ų | 143 | 118.9 Ų | 118.9 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | 78.4 | 120.2 | 79.2 | -162.7 | -144.9 | -97.2 | 122.3 | 0 | 114.6 | |||||
| 695 | D | 31.1 | Very low | 32 | Very low | 150 Ų | 150 | 120.7 Ų | 120.7 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | -174 | 161.9 | 122.7 | -94.1 | -11.7 | 0 | 0 | 0 | 112 | |||||
| 696 | S | 33.9 | Very low | 31.2 | Very low | 102 Ų | 102 | 119 Ų | 119 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | -90.2 | 152.7 | -163.4 | -48.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 697 | D | 29 | Very low | 31.3 | Very low | 151 Ų | 151 | 122.4 Ų | 122.4 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | -180 | 158.6 | 100.4 | -109.8 | -1.8 | 0 | 0 | 0 | 115.9 | |||||
| 698 | S | 31.4 | Very low | 31.2 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | 58.6 | 90.1 | 150.5 | -63 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 699 | G | 27.2 | Very low | 31.3 | Very low | 77 Ų | 77 | 123.7 Ų | 123.7 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | 92.8 | -179 | 119.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 700 | S | 28.9 | Very low | 31.3 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | trans | 73.7 | 128.3 | -178.2 | -150.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 701 | S | 27.6 | Very low | 31.8 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -73.7 | 144.2 | 168.3 | 50.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 702 | S | 32.4 | Very low | 31.8 | Very low | 118 Ų | 118 | 123.7 Ų | 123.7 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | -176.8 | 149.4 | 129.7 | -167.5 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 703 | A | 32.8 | Very low | 31.7 | Very low | 102 Ų | 102 | 124 Ų | 124 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -112.3 | 119.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 704 | A | 31.8 | Very low | 31.7 | Very low | 89 Ų | 89 | 121.7 Ų | 121.7 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | -160.2 | 110.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 705 | D | 29.6 | Very low | 31.8 | Very low | 158 Ų | 158 | 123.3 Ų | 123.3 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | -161.5 | 138.3 | 163.8 | -105.6 | -34.6 | 0 | 0 | 0 | 107.7 | ||||
| 706 | S | 32.6 | Very low | 31.7 | Very low | 91 Ų | 91 | 121 Ų | 121 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | cis | -163.3 | 172.9 | -18.5 | -119.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 707 | N | 30.8 | Very low | 31.6 | Very low | 149 Ų | 149 | 120.4 Ų | 120.4 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | 77.7 | 64.9 | 174.1 | -54.3 | -33.1 | 0 | 0 | 0 | 118 | ||||
| 708 | S | 29 | Very low | 31.6 | Very low | 111 Ų | 111 | 122.9 Ų | 122.9 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -110.5 | 128.3 | 132.1 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 709 | L | 32.9 | Very low | 31.9 | Very low | 153 Ų | 153 | 125.9 Ų | 125.9 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | trans | -127.9 | 79.1 | 174.4 | -73.4 | 179.1 | 0 | 0 | 0 | 109 | L711 | L709-L711 PolarHBondContact O-N 3.01Š| ||
| 710 | D | 31.1 | Very low | 32.4 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 65% | 0.647 | 76% | 0.762 | S | S | * | * | trans | -67.8 | 116.7 | 171.2 | -179.8 | 34.2 | 0 | 0 | 0 | 110.3 | N712 | D710-N712 PolarHBondContact O-N 3.44Å; D710-N712 PolarHBondContact OD2-ND2 3.09Å | ||
| 711 | L | 38.6 | Very low | 32.6 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | -86.7 | 59.3 | -175.8 | -85.8 | 167.2 | 0 | 0 | 0 | 111.6 | L709 L713 | L709-L711 PolarHBondContact O-N 3.01Å; L711-L713 HydrophobicContact CD2-CD1 4.03Å; L711-L713 PolarHBondContact O-N 3.03Å | ||
| 712 | N | 33.5 | Very low | 32.8 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 66% | 0.658 | 76% | 0.764 | S | S | * | * | trans | -75.1 | 62.6 | -179.1 | -130.9 | -57.4 | 0 | 0 | 0 | 112.6 | D710 S714 | D710-N712 PolarHBondContact O-N 3.44Å; D710-N712 PolarHBondContact OD2-ND2 3.09Å; N712-S714 PolarHBondContact O-N 3.36Å | ||
| 713 | L | 34.6 | Very low | 33 | Very low | 143 Ų | 143 | 135 Ų | 135 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | -75.5 | 86.6 | -178.5 | -92.8 | 147.2 | 0 | 0 | 0 | 111.6 | L711 I715 | L711-L713 HydrophobicContact CD2-CD1 4.03Å; L711-L713 PolarHBondContact O-N 3.03Å; L713-I715 PolarHBondContact O-N 2.71Å | ||
| 714 | S | 32.7 | Very low | 32.9 | Very low | 88 Ų | 88 | 137.9 Ų | 137.9 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | trans | -52.5 | 125.8 | 176.2 | -70.7 | 0 | 0 | 0 | 0 | 113.4 | N712 S716 | N712-S714 PolarHBondContact O-N 3.36Å; S714-S716 PolarHBondContact O-N 2.93Å | ||
| 715 | I | 35.8 | Very low | 33.4 | Very low | 177 Ų | 177 | 137.7 Ų | 137.7 | 91% | 0.908 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 59 | 179.2 | -47.4 | 178.2 | 0 | 0 | 0 | 110.8 | L713 | L713-I715 PolarHBondContact O-N 2.71Š|
| 716 | S | 30.8 | Very low | 33.3 | Very low | 100 Ų | 100 | 134 Ų | 134 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137 | -5.5 | -172.1 | -63.3 | 0 | 0 | 0 | 0 | 114.7 | S714 | S714-S716 PolarHBondContact O-N 2.93Š|
| 717 | S | 31.5 | Very low | 33.6 | Very low | 90 Ų | 90 | 135.4 Ų | 135.4 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -22.6 | -170.5 | 58.4 | 0 | 0 | 0 | 0 | 115.2 | L719 | S717-L719 PolarHBondContact O-N 3.07Š|
| 718 | F | 29 | Very low | 33.6 | Very low | 203 Ų | 203 | 136.1 Ų | 136.1 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 2.8 | -167.1 | -111.9 | -86.5 | 0 | 0 | 0 | 116.7 | ||
| 719 | L | 37.2 | Very low | 33.8 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -126.7 | 60.6 | -179.4 | -69.6 | 177.5 | 0 | 0 | 0 | 113.1 | S717 | S717-L719 PolarHBondContact O-N 3.07Š| ||
| 720 | S | 37.9 | Very low | 34.3 | Very low | 95 Ų | 95 | 137.6 Ų | 137.6 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | trans | -142.9 | 50.6 | 180 | 60.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 721 | K | 32.3 | Very low | 34.5 | Very low | 209 Ų | 209 | 141.1 Ų | 141.1 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -163.5 | 142.4 | 158.9 | -98.9 | 141.6 | -174.9 | 175.7 | 0 | 108.9 | ||||
| 722 | S | 31.2 | Very low | 34.6 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | cis | -148.2 | 151.4 | -7.6 | 46.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 723 | K | 38.4 | Very low | 34.5 | Very low | 207 Ų | 207 | 143 Ų | 143 | 90% | 0.9 | 82% | 0.819 | S | S | * | * | trans | -105.8 | 106.6 | -179.6 | 177.8 | -174.5 | 175.7 | -178.2 | 0 | 110.4 | ||||
| 724 | D | 30.3 | Very low | 34.9 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | trans | -133.9 | 148.3 | 163.7 | -103.2 | -50.7 | 0 | 0 | 0 | 110.9 | ||||
| 725 | G | 40.9 | Very low | 35.4 | Very low | 84 Ų | 84 | 149.8 Ų | 149.8 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | trans | -103.3 | 112.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 726 | G | 27.8 | Very low | 35.9 | Very low | 82 Ų | 82 | 149.4 Ų | 149.4 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -138 | 137.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 727 | S | 39.6 | Very low | 36.9 | Very low | 120 Ų | 120 | 151.9 Ų | 151.9 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | -108.4 | 111.8 | -176.4 | 165.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 728 | I | 30.7 | Very low | 38.1 | Very low | 163 Ų | 163 | 151.8 Ų | 151.8 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -161.1 | 110.3 | 162.1 | -103.8 | 146.9 | 0 | 0 | 0 | 105.5 | ||||
| 729 | S | 32.7 | Very low | 39.4 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | 94.6 | 158.5 | 85.5 | -157.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 730 | M | 44.3 | Very low | 40.3 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | trans | -88.6 | 125.8 | -170.8 | -77 | -177.7 | 56 | 0 | 0 | 113.4 | ||||
| 731 | Q | 34.4 | Very low | 41.3 | Very low | 195 Ų | 195 | 135 Ų | 135 | 91% | 0.911 | 72% | 0.719 | S | S | * | * | trans | -153.7 | 161.9 | 144.2 | -119.7 | 162.9 | -33 | 0 | 0 | 110.2 | S733 | Q731-S733 PolarHBondContact O-N 2.94Š| ||
| 732 | E | 40.3 | Very low | 43 | Very low | 187 Ų | 187 | 127.6 Ų | 127.6 | 87% | 0.874 | 69% | 0.687 | S | S | * | * | trans | -84.2 | 113.6 | -169.9 | -65.2 | 175.9 | 119.5 | 0 | 0 | 111.8 | K734 | E732-K734 VanDerWaalsContact C-N 3.32Å; E732-K734 PolarHBondContact O-N 2.9Å | ||
| 733 | S | 32.6 | Very low | 44.6 | Very low | 119 Ų | 119 | 123 Ų | 123 | 83% | 0.832 | 65% | 0.654 | S | S | * | * | trans | -73.5 | 85.3 | 170.5 | 39.5 | 0 | 0 | 0 | 0 | 111.1 | Q731 R735 | Q731-S733 PolarHBondContact O-N 2.94Å; S733-R735 PolarHBondContact O-N 3.27Å | ||
| 734 | K | 43 | Very low | 46.3 | Very low | 182 Ų | 182 | 115 Ų | 115 | 79% | 0.791 | 62% | 0.618 | S | S | * | * | trans | -49 | 130.2 | 160.3 | -70 | 178.4 | -178.7 | 173.1 | 0 | 108.2 | E732 Q736 | E732-K734 VanDerWaalsContact C-N 3.32Å; E732-K734 PolarHBondContact O-N 2.9Å; K734-Q736 PolarHBondContact O-N 3.25Å; K734-Q736 VanDerWaalsContact O-N 3.09Å | ||
| 735 | R | 43.4 | Very low | 48.2 | Very low | 192 Ų | 192 | 112.7 Ų | 112.7 | 73% | 0.725 | 60% | 0.6 | S | S | * | * | trans | -66.6 | 108.5 | 176.7 | -75.6 | 173.8 | 155.8 | -132.5 | -14.4 | 109.4 | S733 K737 D763 | S733-R735 PolarHBondContact O-N 3.27Å; R735-K737 PolarHBondContact O-N 3.33Å; R735-D763 IonicContact CZ-OD2 2.98Å; R735-D763 IonicContact NH1-OD1 3.92Å; R735-D763 IonicContact NH1-OD2 2.91Å; R735-D763 PolarHBondContact NH1-OD2 3.28Å; R735-D763 IonicContact NH2-OD2 3.37Å; R735-D763 PolarHBondContact NH2-OD2 2.71Å | ||
| 736 | Q | 46.2 | Very low | 49.8 | Very low | 169 Ų | 169 | 109.5 Ų | 109.5 | 79% | 0.79 | 56% | 0.563 | S | S | * | * | trans | -59.7 | 122 | 170.7 | -72.2 | 174.2 | -46.5 | 0 | 0 | 109.2 | K734 K738 | K734-Q736 PolarHBondContact O-N 3.25Å; K734-Q736 VanDerWaalsContact O-N 3.09Å; Q736-K738 PolarHBondContact O-N 3.02Å | ||
| 737 | K | 51 | Low | 51.9 | Low | 151 Ų | 151 | 111.6 Ų | 111.6 | 66% | 0.657 | 55% | 0.554 | S | S | * | * | trans | -85.6 | 105.5 | 174.7 | -67.6 | 177.3 | -177.6 | 175.9 | 0 | 108.2 | R735 I760 | R735-K737 PolarHBondContact O-N 3.33Å; K737-I760 HydrophobicContact CB-CG2 4.17Å; K737-I760 HydrophobicContact CD-CG2 4.14Å; K737-I760 HydrophobicContact CG-CG2 4.35Å | ||
| 738 | K | 56.5 | Low | 53.6 | Low | 89 Ų | 89 | 106.4 Ų | 106.4 | 39% | 0.387 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 142.3 | 168.7 | -71.7 | -177.1 | 175.5 | -70.4 | 0 | 109.1 | D318 Q736 V761 | D318-K738 WeakPolarHBondContact OD1-CG 3.45Å; D318-K738 IonicContact OD1-NZ 3.93Å; D318-K738 PolarHBondContact OD1-NZ 3.39Å; D318-K738 IonicContact OD2-NZ 3.4Å; D318-K738 PolarHBondContact OD2-NZ 2.96Å; Q736-K738 PolarHBondContact O-N 3.02Å; K738-V761 HydrophobicContact CB-CB 4.35Å; K738-V761 PolarHBondContact O-N 3.32Å |
| 739 | T | 56.6 | Low | 55.6 | Low | 41 Ų | 41 | 103.7 Ų | 103.7 | 25% | 0.252 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 115.9 | 174.2 | -57.4 | 0 | 0 | 0 | 0 | 108.8 | E317 K759 | E317-T739 PolarHBondContact N-O 3.49Å; E317-T739 PolarHBondContact O-N 3.46Å; T739-K759 WeakPolarHBondContact CA-O 3.35Å |
| 740 | L | 56 | Low | 57.3 | Low | 18 Ų | 18 | 101.4 Ų | 101.4 | 9% | 0.094 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 125 | 172.2 | -179.6 | 63.6 | 0 | 0 | 0 | 107.7 | I316 K742 S758 K759 V761 | I316-L740 HydrophobicContact CG1-CD1 3.76Å; L740-K742 HydrophobicContact CD1-CG 4.5Å; L740-K742 HydrophobicContact CD2-CG 4.36Å; L740-K742 HydrophobicContact CG-CG 4.11Å; L740-S758 WeakPolarHBondContact O-CA 3.3Å; L740-K759 PolarHBondContact N-O 2.92Å; L740-K759 PolarHBondContact O-N 2.95Å; L740-V761 HydrophobicContact CB-CG2 3.59Å |
| 741 | K | 59.5 | Low | 58.5 | Low | 59 Ų | 59 | 97.4 Ų | 97.4 | 26% | 0.257 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 73.3 | -167.7 | -171.1 | 179.7 | 178.1 | -171 | 0 | 108.4 | E315 E317 T743 T756 | E315-K741 PolarHBondContact N-O 2.98Å; E315-K741 PolarHBondContact O-N 3.18Å; E317-K741 HydrophobicContact CG-CD 4.44Å; E317-K741 IonicContact OE1-NZ 2.69Å; E317-K741 WeakPolarHBondContact OE2-CD 3.09Å; E317-K741 WeakPolarHBondContact OE2-CE 3.2Å; E317-K741 IonicContact OE2-NZ 3.67Å; E317-K741 PolarHBondContact OE2-NZ 3.5Å; K741-T743 PolarHBondContact O-N 3.11Å; K741-T756 HydrophobicContact CD-CG2 4.14Å; K741-T756 HydrophobicContact CG-CG2 3.32Å |
| 742 | K | 68 | Low | 60.3 | Low | 54 Ų | 54 | 93.7 Ų | 93.7 | 24% | 0.235 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 114 | 178.3 | -57.1 | -160.1 | -174.2 | -155.9 | 0 | 108.1 | E314 L740 T757 E769 | E314-K742 HydrophobicContact CG-CD 3.96Å; E314-K742 HydrophobicContact CG-CG 3.98Å; E314-K742 WeakPolarHBondContact OE1-CD 3.46Å; E314-K742 VanDerWaalsContact OE1-CE 3.3Å; E314-K742 WeakPolarHBondContact OE1-CE 3.19Å; E314-K742 IonicContact OE1-NZ 2.66Å; E314-K742 PolarHBondContact OE1-NZ 3.44Å; E314-K742 WeakPolarHBondContact OE2-CE 3.12Å; E314-K742 IonicContact OE2-NZ 3.92Å; E314-K742 PolarHBondContact OE2-NZ 3.39Å; L740-K742 HydrophobicContact CD1-CG 4.5Å; L740-K742 HydrophobicContact CD2-CG 4.36Å; L740-K742 HydrophobicContact CG-CG 4.11Å; K742-T757 PolarHBondContact N-O 2.92Å; K742-T757 VanDerWaalsContact N-O 3.1Å; K742-T757 PolarHBondContact O-N 3.18Å; K742-T757 PolarHBondContact O-OG1 2.96Å; K742-E769 IonicContact NZ-OE1 2.7Å |
| 743 | T | 65.4 | Low | 61.9 | Low | 14 Ų | 14 | 86.6 Ų | 86.6 | 9% | 0.086 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 107.3 | -178.1 | -62.2 | 0 | 0 | 0 | 0 | 109.1 | T313 K741 K745 V755 T756 | T313-T743 PolarHBondContact O-N 3.43Å; T313-T743 PolarHBondContact OG1-O 2.91Å; K741-T743 PolarHBondContact O-N 3.11Å; T743-K745 HydrophobicContact CG2-CG 4.4Å; T743-V755 WeakPolarHBondContact CA-O 3.32Å; T743-T756 WeakPolarHBondContact CG2-OG1 3.39Å; T743-T756 PolarHBondContact OG1-OG1 3.45Å |
| 744 | R | 72.9 | Confident | 63.6 | Low | 37 Ų | 37 | 84.3 Ų | 84.3 | 14% | 0.14 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 119.5 | 169.7 | -76.6 | 176.3 | 165.9 | 139.3 | -4.1 | 108.2 | L123 E307 A310 V312 F746 S754 V755 | L123-R744 VanDerWaalsContact CD2-NH1 3.28Å; E307-R744 WeakPolarHBondContact O-CD 3.38Å; E307-R744 PolarHBondContact O-NE 2.84Å; E307-R744 IonicContact OE1-CZ 3.33Å; E307-R744 IonicContact OE1-NH1 3.99Å; E307-R744 PolarHBondContact OE1-NH1 3.42Å; A310-R744 HydrophobicContact CB-CB 3.72Å; A310-R744 HydrophobicContact CB-CG 3.97Å; V312-R744 HydrophobicContact CG2-CG 4.23Å; R744-F746 HydrophobicContact CB-CD1 4.13Å; R744-F746 HydrophobicContact CB-CE1 4.18Å; R744-S754 CarbonylContact O-C 3.56Å; R744-S754 WeakPolarHBondContact O-CA 3.45Å; R744-V755 PolarHBondContact N-O 2.81Å; R744-V755 PolarHBondContact O-N 2.93Å |
| 745 | K | 71.7 | Confident | 65 | Low | 115 Ų | 115 | 77.8 Ų | 77.8 | 50% | 0.5 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 124.5 | 172.4 | -82.1 | 167.8 | 163.7 | -93.7 | 0 | 109 | T743 E752 | T743-K745 HydrophobicContact CG2-CG 4.4Å; K745-E752 IonicContact NZ-OE1 2.64Å; K745-E752 PolarHBondContact NZ-OE1 2.93Å |
| 746 | F | 73.8 | Confident | 66 | Low | 18 Ų | 18 | 71.5 Ų | 71.5 | 8% | 0.079 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 162.2 | 178.6 | 51.9 | -93.9 | 0 | 0 | 0 | 111.7 | A306 E307 A310 R744 V748 V753 V755 | A306-F746 HydrophobicContact CB-CB 4.21Å; A306-F746 HydrophobicContact CB-CD2 3.32Å; A306-F746 HydrophobicContact CB-CE2 3.77Å; A306-F746 HydrophobicContact CB-CG 3.94Å; E307-F746 HydrophobicContact CB-CE1 3.82Å; E307-F746 HydrophobicContact CB-CZ 3.95Å; E307-F746 HydrophobicContact CG-CE1 4.11Å; A310-F746 HydrophobicContact CB-CB 4.06Å; A310-F746 HydrophobicContact CB-CD1 3.76Å; A310-F746 HydrophobicContact CB-CG 4.34Å; R744-F746 HydrophobicContact CB-CD1 4.13Å; R744-F746 HydrophobicContact CB-CE1 4.18Å; F746-V748 HydrophobicContact CD2-CG2 3.53Å; F746-V748 HydrophobicContact CE2-CG2 3.52Å; F746-V753 HydrophobicContact CD2-CB 4.23Å; F746-V753 HydrophobicContact CE2-CB 4.01Å; F746-V753 HydrophobicContact CE2-CG1 4.11Å; F746-V753 HydrophobicContact CZ-CG1 4.22Å; F746-V753 PolarHBondContact N-O 3.47Å; F746-V753 PolarHBondContact O-N 2.99Å; F746-V755 HydrophobicContact CE1-CB 3.94Å; F746-V755 HydrophobicContact CE1-CG2 3.61Å; F746-V755 HydrophobicContact CZ-CB 4.29Å; F746-V755 HydrophobicContact CZ-CG2 3.46Å; F746-V755 VanDerWaalsContact CZ-CG2 3.46Å |
| 747 | L | 72.6 | Confident | 66.5 | Low | 126 Ų | 126 | 66.8 Ų | 66.8 | 66% | 0.66 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 128.4 | 177 | -69.3 | 167.2 | 0 | 0 | 0 | 109.8 | V751 E752 | L747-V751 WeakPolarHBondContact CA-O 3.21Å; L747-E752 HydrophobicContact CD2-CB 4.25Å |
| 748 | V | 73.8 | Confident | 66.5 | Low | 11 Ų | 11 | 63.8 Ų | 63.8 | 7% | 0.067 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 125.6 | 168.9 | -170.6 | 0 | 0 | 0 | 0 | 107.9 | R302 E303 A306 F746 G750 V751 V753 | R302-V748 HydrophobicContact CB-CG1 4.35Å; E303-V748 HydrophobicContact CG-CG1 4.13Å; E303-V748 HydrophobicContact CG-CG2 4.16Å; A306-V748 HydrophobicContact CB-CG2 4.02Å; F746-V748 HydrophobicContact CD2-CG2 3.53Å; F746-V748 HydrophobicContact CE2-CG2 3.52Å; V748-G750 PolarHBondContact O-N 2.7Å; V748-V751 PolarHBondContact N-O 3.42Å; V748-V751 PolarHBondContact O-N 2.8Å; V748-V753 HydrophobicContact CB-CG2 4.22Å; V748-V753 HydrophobicContact CG2-CG2 4.06Å |
| 749 | D | 72.6 | Confident | 66.5 | Low | 105 Ų | 105 | 64 Ų | 64 | 56% | 0.561 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 29.1 | 179.6 | -52.3 | -16.8 | 0 | 0 | 0 | 113.9 | R302 | R302-D749 IonicContact CZ-OD1 3.59Å; R302-D749 IonicContact CZ-OD2 2.73Å; R302-D749 IonicContact NE-OD1 2.83Å; R302-D749 PolarHBondContact NE-OD1 3.18Å; R302-D749 IonicContact NE-OD2 3.65Å; R302-D749 VanDerWaalsContact NH2-CG 3.3Å; R302-D749 IonicContact NH2-OD1 3.87Å; R302-D749 PolarHBondContact NH2-OD1 2.73Å; R302-D749 VanDerWaalsContact NH2-OD1 3.09Å; R302-D749 IonicContact NH2-OD2 2.7Å; R302-D749 PolarHBondContact NH2-OD2 3.24Å |
| 750 | G | 68 | Low | 66.6 | Low | 70 Ų | 70 | 66.3 Ų | 66.3 | 72% | 0.722 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | 1.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | V748 | V748-G750 PolarHBondContact O-N 2.7Š|
| 751 | V | 69.8 | Low | 66.5 | Low | 94 Ų | 94 | 67.8 Ų | 67.8 | 57% | 0.57 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 135.1 | 178.3 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | L747 V748 V753 | L747-V751 WeakPolarHBondContact CA-O 3.21Å; V748-V751 PolarHBondContact N-O 3.42Å; V748-V751 PolarHBondContact O-N 2.8Å; V751-V753 PolarHBondContact O-N 3.2Å |
| 752 | E | 72.6 | Confident | 66.4 | Low | 117 Ų | 117 | 68.1 Ų | 68.1 | 55% | 0.547 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 119 | 171.8 | -170.9 | -174.4 | -178.6 | 0 | 0 | 110.1 | K745 L747 | K745-E752 IonicContact NZ-OE1 2.64Å; K745-E752 PolarHBondContact NZ-OE1 2.93Å; L747-E752 HydrophobicContact CD2-CB 4.25Å |
| 753 | V | 73.2 | Confident | 65.6 | Low | 37 Ų | 37 | 70 Ų | 70 | 22% | 0.224 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 122.5 | 174.5 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | F746 V748 V751 V755 | F746-V753 HydrophobicContact CD2-CB 4.23Å; F746-V753 HydrophobicContact CE2-CB 4.01Å; F746-V753 HydrophobicContact CE2-CG1 4.11Å; F746-V753 HydrophobicContact CZ-CG1 4.22Å; F746-V753 PolarHBondContact N-O 3.47Å; F746-V753 PolarHBondContact O-N 2.99Å; V748-V753 HydrophobicContact CB-CG2 4.22Å; V748-V753 HydrophobicContact CG2-CG2 4.06Å; V751-V753 PolarHBondContact O-N 3.2Å; V753-V755 HydrophobicContact CG1-CG2 4.18Å |
| 754 | S | 69 | Low | 64.9 | Low | 71 Ų | 71 | 74.9 Ų | 74.9 | 50% | 0.497 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 101.4 | 172.2 | 59.1 | 0 | 0 | 0 | 0 | 110 | R744 T756 | R744-S754 CarbonylContact O-C 3.56Å; R744-S754 WeakPolarHBondContact O-CA 3.45Å; S754-T756 PolarHBondContact O-N 3.18Å |
| 755 | V | 72.3 | Confident | 63.8 | Low | 46 Ų | 46 | 74.6 Ų | 74.6 | 28% | 0.279 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 100.6 | 170.4 | 175.6 | 0 | 0 | 0 | 0 | 108.3 | T743 R744 F746 V753 T757 | T743-V755 WeakPolarHBondContact CA-O 3.32Å; R744-V755 PolarHBondContact N-O 2.81Å; R744-V755 PolarHBondContact O-N 2.93Å; F746-V755 HydrophobicContact CE1-CB 3.94Å; F746-V755 HydrophobicContact CE1-CG2 3.61Å; F746-V755 HydrophobicContact CZ-CB 4.29Å; F746-V755 HydrophobicContact CZ-CG2 3.46Å; F746-V755 VanDerWaalsContact CZ-CG2 3.46Å; V753-V755 HydrophobicContact CG1-CG2 4.18Å; V755-T757 HydrophobicContact CG1-CG2 4.26Å |
| 756 | T | 64.9 | Low | 63.1 | Low | 59 Ų | 59 | 71.7 Ų | 71.7 | 36% | 0.362 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 108 | 174 | -64.4 | 0 | 0 | 0 | 0 | 110 | K741 T743 S754 | K741-T756 HydrophobicContact CD-CG2 4.14Å; K741-T756 HydrophobicContact CG-CG2 3.32Å; T743-T756 WeakPolarHBondContact CG2-OG1 3.39Å; T743-T756 PolarHBondContact OG1-OG1 3.45Å; S754-T756 PolarHBondContact O-N 3.18Å |
| 757 | T | 57.3 | Low | 62.3 | Low | 71 Ų | 71 | 75.6 Ų | 75.6 | 44% | 0.436 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 108.5 | 171.2 | 53.9 | 0 | 0 | 0 | 0 | 109.7 | K742 V755 | K742-T757 PolarHBondContact N-O 2.92Å; K742-T757 VanDerWaalsContact N-O 3.1Å; K742-T757 PolarHBondContact O-N 3.18Å; K742-T757 PolarHBondContact O-OG1 2.96Å; V755-T757 HydrophobicContact CG1-CG2 4.26Å |
| 758 | S | 51 | Low | 61.3 | Low | 88 Ų | 88 | 71.4 Ų | 71.4 | 62% | 0.615 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 110.9 | 178 | 58.8 | 0 | 0 | 0 | 0 | 111 | L740 | L740-S758 WeakPolarHBondContact O-CA 3.3Å |
| 759 | K | 55 | Low | 60.5 | Low | 92 Ų | 92 | 74.9 Ų | 74.9 | 40% | 0.4 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121.7 | 173.6 | -161.5 | -170.2 | -167.6 | -159.5 | 0 | 110 | T739 L740 V761 D765 | T739-K759 WeakPolarHBondContact CA-O 3.35Å; L740-K759 PolarHBondContact N-O 2.92Å; L740-K759 PolarHBondContact O-N 2.95Å; K759-V761 PolarHBondContact O-N 3.33Å; K759-D765 WeakPolarHBondContact CE-OD1 3.5Å; K759-D765 IonicContact NZ-OD1 2.76Å; K759-D765 PolarHBondContact NZ-OD1 2.91Å |
| 760 | I | 60.2 | Low | 60.2 | Low | 90 Ų | 90 | 75.7 Ų | 75.7 | 46% | 0.462 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 115.8 | 168.9 | -61.1 | 175.6 | 0 | 0 | 0 | 107.2 | K737 T762 | K737-I760 HydrophobicContact CB-CG2 4.17Å; K737-I760 HydrophobicContact CD-CG2 4.14Å; K737-I760 HydrophobicContact CG-CG2 4.35Å; I760-T762 HydrophobicContact CG2-CG2 4.44Å; I760-T762 PolarHBondContact O-N 3.13Å |
| 761 | V | 53.3 | Low | 59.8 | Low | 49 Ų | 49 | 77.6 Ų | 77.6 | 30% | 0.297 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 105.3 | 179.1 | -175.8 | 0 | 0 | 0 | 0 | 108.5 | K738 L740 K759 D765 | K738-V761 HydrophobicContact CB-CB 4.35Å; K738-V761 PolarHBondContact O-N 3.32Å; L740-V761 HydrophobicContact CB-CG2 3.59Å; K759-V761 PolarHBondContact O-N 3.33Å; V761-D765 HydrophobicContact CG1-CB 4.31Å |
| 762 | T | 56.1 | Low | 59.5 | Low | 67 Ų | 67 | 78.1 Ų | 78.1 | 41% | 0.411 | 42% | 0.422 | S | S | . | . | trans | -90.5 | 167 | 167.5 | 73.8 | 0 | 0 | 0 | 0 | 111.1 | I760 N764 D765 A766 | I760-T762 HydrophobicContact CG2-CG2 4.44Å; I760-T762 PolarHBondContact O-N 3.13Å; T762-N764 PolarHBondContact O-N 3.14Å; T762-N764 PolarHBondContact OG1-N 3.49Å; T762-D765 VanDerWaalsContact CB-OD2 3.28Å; T762-D765 WeakPolarHBondContact CB-OD2 3.34Å; T762-D765 WeakPolarHBondContact CG2-OD2 3.48Å; T762-D765 PolarHBondContact N-OD2 3.19Å; T762-D765 PolarHBondContact O-N 3.25Å; T762-D765 PolarHBondContact OG1-N 3.23Å; T762-D765 PolarHBondContact OG1-OD2 3.36Å; T762-A766 PolarHBondContact O-N 2.91Å | ||
| 763 | D | 52.9 | Low | 59.5 | Low | 94 Ų | 94 | 77.9 Ų | 77.9 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -55.9 | -19.8 | 171 | -59 | -12.5 | 0 | 0 | 0 | 112.9 | R735 K767 | R735-D763 IonicContact CZ-OD2 2.98Å; R735-D763 IonicContact NH1-OD1 3.92Å; R735-D763 IonicContact NH1-OD2 2.91Å; R735-D763 PolarHBondContact NH1-OD2 3.28Å; R735-D763 IonicContact NH2-OD2 3.37Å; R735-D763 PolarHBondContact NH2-OD2 2.71Å; D763-K767 WeakPolarHBondContact O-CG 3.05Å |
| 764 | N | 50.5 | Low | 59.3 | Low | 115 Ų | 115 | 78.4 Ų | 78.4 | 62% | 0.615 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -85.2 | -24.1 | 174.8 | -75.2 | -2.8 | 0 | 0 | 0 | 112.8 | T762 K767 S768 | T762-N764 PolarHBondContact O-N 3.14Å; T762-N764 PolarHBondContact OG1-N 3.49Å; N764-K767 PolarHBondContact O-N 3.36Å; N764-S768 WeakPolarHBondContact O-CB 3.38Å; N764-S768 PolarHBondContact O-N 2.95Å |
| 765 | D | 49.2 | Very low | 59.3 | Low | 31 Ų | 31 | 81.2 Ų | 81.2 | 17% | 0.166 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -76 | -40.4 | -178.2 | -68.4 | -72 | 0 | 0 | 0 | 111.8 | K759 V761 T762 K767 S768 E769 | K759-D765 WeakPolarHBondContact CE-OD1 3.5Å; K759-D765 IonicContact NZ-OD1 2.76Å; K759-D765 PolarHBondContact NZ-OD1 2.91Å; V761-D765 HydrophobicContact CG1-CB 4.31Å; T762-D765 VanDerWaalsContact CB-OD2 3.28Å; T762-D765 WeakPolarHBondContact CB-OD2 3.34Å; T762-D765 WeakPolarHBondContact CG2-OD2 3.48Å; T762-D765 PolarHBondContact N-OD2 3.19Å; T762-D765 PolarHBondContact O-N 3.25Å; T762-D765 PolarHBondContact OG1-N 3.23Å; T762-D765 PolarHBondContact OG1-OD2 3.36Å; D765-K767 VanDerWaalsContact C-N 3.28Å; D765-K767 PolarHBondContact O-N 3.23Å; D765-S768 WeakPolarHBondContact O-CB 3.41Å; D765-S768 PolarHBondContact O-N 3.42Å; D765-S768 VanDerWaalsContact O-N 3.13Å; D765-E769 WeakPolarHBondContact O-CB 3.35Å; D765-E769 PolarHBondContact O-N 2.98Å |
| 766 | A | 56.4 | Low | 59.1 | Low | 55 Ų | 55 | 83.3 Ų | 83.3 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.1 | -42.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T762 E769 E770 | T762-A766 PolarHBondContact O-N 2.91Å; A766-E769 PolarHBondContact O-N 3.38Å; A766-E770 VanDerWaalsContact O-CB 3.27Å; A766-E770 WeakPolarHBondContact O-CB 3.44Å; A766-E770 PolarHBondContact O-N 3.42Å |
| 767 | K | 57.4 | Low | 59.6 | Low | 99 Ų | 99 | 83.6 Ų | 83.6 | 43% | 0.43 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.5 | -33.7 | 174.4 | -68 | 178.9 | 176.2 | -171.5 | 0 | 113.4 | D763 N764 D765 M771 | D763-K767 WeakPolarHBondContact O-CG 3.05Å; N764-K767 PolarHBondContact O-N 3.36Å; D765-K767 VanDerWaalsContact C-N 3.28Å; D765-K767 PolarHBondContact O-N 3.23Å; K767-M771 WeakPolarHBondContact O-CB 3.27Å; K767-M771 WeakPolarHBondContact O-CG 3.47Å; K767-M771 PolarHBondContact O-N 2.82Å |
| 768 | S | 51.6 | Low | 60.4 | Low | 39 Ų | 39 | 81.1 Ų | 81.1 | 27% | 0.273 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.3 | -39.7 | 174.8 | -174.3 | 0 | 0 | 0 | 0 | 110.9 | N764 D765 M771 R772 | N764-S768 WeakPolarHBondContact O-CB 3.38Å; N764-S768 PolarHBondContact O-N 2.95Å; D765-S768 WeakPolarHBondContact O-CB 3.41Å; D765-S768 PolarHBondContact O-N 3.42Å; D765-S768 VanDerWaalsContact O-N 3.13Å; S768-M771 PolarHBondContact O-N 2.9Å; S768-R772 WeakPolarHBondContact O-CG 3.47Å; S768-R772 PolarHBondContact O-N 2.75Å |
| 769 | E | 57.7 | Low | 61.3 | Low | 83 Ų | 83 | 80.8 Ų | 80.8 | 39% | 0.388 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71.7 | -36.5 | 176.7 | -170 | 155.3 | -134.9 | 0 | 0 | 112.2 | K742 D765 A766 R772 F773 | K742-E769 IonicContact NZ-OE1 2.7Å; D765-E769 WeakPolarHBondContact O-CB 3.35Å; D765-E769 PolarHBondContact O-N 2.98Å; A766-E769 PolarHBondContact O-N 3.38Å; E769-R772 PolarHBondContact O-N 3.26Å; E769-F773 WeakPolarHBondContact O-CB 3.21Å; E769-F773 PolarHBondContact O-N 3.16Å |
| 770 | E | 66.1 | Low | 62.4 | Low | 123 Ų | 123 | 82.8 Ų | 82.8 | 58% | 0.575 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.6 | -46 | 168.1 | -178.1 | 175.7 | -142.4 | 0 | 0 | 111.5 | A766 R772 F773 L774 | A766-E770 VanDerWaalsContact O-CB 3.27Å; A766-E770 WeakPolarHBondContact O-CB 3.44Å; A766-E770 PolarHBondContact O-N 3.42Å; E770-R772 PolarHBondContact O-N 2.92Å; E770-F773 PolarHBondContact O-N 2.96Å; E770-L774 HydrophobicContact CG-CD1 4.35Å; E770-L774 WeakPolarHBondContact O-CB 3.49Å; E770-L774 WeakPolarHBondContact O-CG 3.47Å; E770-L774 PolarHBondContact O-N 3.17Å |
| 771 | M | 59.8 | Low | 63.2 | Low | 110 Ų | 110 | 81.5 Ų | 81.5 | 54% | 0.542 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.7 | -37.4 | 172.2 | -78.9 | -161.9 | -67.5 | 0 | 0 | 112.9 | K767 S768 R775 | K767-M771 WeakPolarHBondContact O-CB 3.27Å; K767-M771 WeakPolarHBondContact O-CG 3.47Å; K767-M771 PolarHBondContact O-N 2.82Å; S768-M771 PolarHBondContact O-N 2.9Å; M771-R775 VanDerWaalsContact O-CB 3.3Å; M771-R775 WeakPolarHBondContact O-CB 3.21Å; M771-R775 PolarHBondContact O-N 3.19Å |
| 772 | R | 63 | Low | 64.1 | Low | 105 Ų | 105 | 82.8 Ų | 82.8 | 40% | 0.396 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 172.2 | -73.4 | 177.1 | -166.9 | -140.3 | -4.8 | 111.5 | E124 S768 E769 E770 R775 R776 | E124-R772 WeakPolarHBondContact OE2-CD 3.35Å; E124-R772 IonicContact OE2-CZ 3.88Å; E124-R772 IonicContact OE2-NE 2.72Å; E124-R772 IonicContact OE2-NH1 2.79Å; E124-R772 PolarHBondContact OE2-NH1 2.95Å; S768-R772 WeakPolarHBondContact O-CG 3.47Å; S768-R772 PolarHBondContact O-N 2.75Å; E769-R772 PolarHBondContact O-N 3.26Å; E770-R772 PolarHBondContact O-N 2.92Å; R772-R775 PolarHBondContact O-N 2.9Å; R772-R776 WeakPolarHBondContact O-CB 3.31Å; R772-R776 VanDerWaalsContact O-CG 3.26Å; R772-R776 WeakPolarHBondContact O-CG 3.37Å; R772-R776 PolarHBondContact O-N 3.39Å; R772-R776 PolarHBondContact O-NE 3.3Å |
| 773 | F | 72.6 | Confident | 65.1 | Low | 111 Ų | 111 | 87.8 Ų | 87.8 | 49% | 0.487 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.7 | -49.5 | 176.3 | -179.9 | -86.8 | 0 | 0 | 0 | 111.2 | E769 E770 R775 R776 Q777 | E769-F773 WeakPolarHBondContact O-CB 3.21Å; E769-F773 PolarHBondContact O-N 3.16Å; E770-F773 PolarHBondContact O-N 2.96Å; F773-R775 PolarHBondContact O-N 3.47Å; F773-R776 CarbonylContact O-C 3.5Å; F773-R776 PolarHBondContact O-N 2.97Å; F773-Q777 PolarHBondContact O-N 3.02Å |
| 774 | L | 68.5 | Low | 66.4 | Low | 49 Ų | 49 | 88.5 Ų | 88.5 | 26% | 0.257 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.1 | -45.3 | 174.3 | -71.7 | 167 | 0 | 0 | 0 | 111.2 | E770 R776 Q777 E778 | E770-L774 HydrophobicContact CG-CD1 4.35Å; E770-L774 WeakPolarHBondContact O-CB 3.49Å; E770-L774 WeakPolarHBondContact O-CG 3.47Å; E770-L774 PolarHBondContact O-N 3.17Å; L774-R776 PolarHBondContact O-N 3.02Å; L774-Q777 CarbonylContact O-C 3.56Å; L774-Q777 WeakPolarHBondContact O-CA 3.49Å; L774-Q777 WeakPolarHBondContact O-CB 3.47Å; L774-Q777 PolarHBondContact O-N 3.18Å; L774-E778 WeakPolarHBondContact O-CG 3.43Å; L774-E778 PolarHBondContact O-N 3.44Å |
| 775 | R | 68.4 | Low | 67.8 | Low | 129 Ų | 129 | 84.5 Ų | 84.5 | 49% | 0.487 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.2 | -38.1 | 178.1 | -168.4 | 55.6 | 168.5 | 179.9 | 0.4 | 113 | M771 R772 F773 Q777 E778 L779 | M771-R775 VanDerWaalsContact O-CB 3.3Å; M771-R775 WeakPolarHBondContact O-CB 3.21Å; M771-R775 PolarHBondContact O-N 3.19Å; R772-R775 PolarHBondContact O-N 2.9Å; F773-R775 PolarHBondContact O-N 3.47Å; R775-Q777 VanDerWaalsContact C-N 3.26Å; R775-Q777 PolarHBondContact O-N 3.37Å; R775-E778 WeakPolarHBondContact CD-OE2 3.38Å; R775-E778 IonicContact CZ-OE2 2.71Å; R775-E778 IonicContact NE-OE2 3.99Å; R775-E778 IonicContact NH1-OE2 3.77Å; R775-E778 PolarHBondContact NH1-OE2 2.76Å; R775-E778 PolarHBondContact O-N 3.41Å; R775-L779 HydrophobicContact CG-CD1 4.31Å; R775-L779 WeakPolarHBondContact O-CB 3.43Å; R775-L779 VanDerWaalsContact O-CG 3.28Å; R775-L779 WeakPolarHBondContact O-CG 3.4Å; R775-L779 PolarHBondContact O-N 3.09Å |
| 776 | R | 70.1 | Confident | 69.3 | Low | 90 Ų | 90 | 88.2 Ų | 88.2 | 34% | 0.34 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.5 | -22.3 | 172 | -70.3 | 178.8 | -55.7 | -134.2 | 2.7 | 112.2 | E124 R772 F773 L774 R780 | E124-R776 IonicContact OE1-CZ 2.77Å; E124-R776 IonicContact OE1-NH1 3.31Å; E124-R776 PolarHBondContact OE1-NH1 2.95Å; E124-R776 IonicContact OE2-NH1 2.63Å; R772-R776 WeakPolarHBondContact O-CB 3.31Å; R772-R776 VanDerWaalsContact O-CG 3.26Å; R772-R776 WeakPolarHBondContact O-CG 3.37Å; R772-R776 PolarHBondContact O-N 3.39Å; R772-R776 PolarHBondContact O-NE 3.3Å; F773-R776 CarbonylContact O-C 3.5Å; F773-R776 PolarHBondContact O-N 2.97Å; L774-R776 PolarHBondContact O-N 3.02Å; R776-R780 WeakPolarHBondContact O-CG 3.33Å; R776-R780 PolarHBondContact O-NE 3.31Å |
| 777 | Q | 75.2 | Confident | 70.5 | Confident | 66 Ų | 66 | 92.6 Ų | 92.6 | 31% | 0.308 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -77.3 | -52.1 | 169.3 | 176.8 | 173.6 | -12.6 | 0 | 0 | 110.9 | F773 L774 R775 L779 R780 E781 | F773-Q777 PolarHBondContact O-N 3.02Å; L774-Q777 CarbonylContact O-C 3.56Å; L774-Q777 WeakPolarHBondContact O-CA 3.49Å; L774-Q777 WeakPolarHBondContact O-CB 3.47Å; L774-Q777 PolarHBondContact O-N 3.18Å; R775-Q777 VanDerWaalsContact C-N 3.26Å; R775-Q777 PolarHBondContact O-N 3.37Å; Q777-L779 VanDerWaalsContact C-N 3.28Å; Q777-L779 PolarHBondContact O-N 3.33Å; Q777-R780 WeakPolarHBondContact O-CA 3.34Å; Q777-R780 WeakPolarHBondContact O-CB 3.4Å; Q777-R780 PolarHBondContact O-N 3.04Å; Q777-E781 HydrophobicContact CG-CG 4.4Å; Q777-E781 WeakPolarHBondContact CG-OE1 3.32Å; Q777-E781 PolarHBondContact NE2-OE1 2.87Å; Q777-E781 PolarHBondContact O-N 2.87Å |
| 778 | E | 73.8 | Confident | 71.8 | Confident | 18 Ų | 18 | 92.9 Ų | 92.9 | 8% | 0.084 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -50 | -46.5 | 174.6 | -69.6 | 164.1 | -167.4 | 0 | 0 | 111.6 | L774 R775 R780 E781 L782 | L774-E778 WeakPolarHBondContact O-CG 3.43Å; L774-E778 PolarHBondContact O-N 3.44Å; R775-E778 WeakPolarHBondContact CD-OE2 3.38Å; R775-E778 IonicContact CZ-OE2 2.71Å; R775-E778 IonicContact NE-OE2 3.99Å; R775-E778 IonicContact NH1-OE2 3.77Å; R775-E778 PolarHBondContact NH1-OE2 2.76Å; R775-E778 PolarHBondContact O-N 3.41Å; E778-R780 VanDerWaalsContact C-N 3.32Å; E778-R780 PolarHBondContact O-N 3.41Å; E778-E781 PolarHBondContact O-N 3.16Å; E778-L782 WeakPolarHBondContact O-CB 3.42Å; E778-L782 VanDerWaalsContact O-CG 3.31Å; E778-L782 WeakPolarHBondContact O-CG 3.44Å; E778-L782 PolarHBondContact O-N 3.03Å |
| 779 | L | 69.6 | Low | 73.4 | Confident | 82 Ų | 82 | 93 Ų | 93 | 43% | 0.429 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67 | -27.1 | 177.6 | -72.6 | 169.3 | 0 | 0 | 0 | 114 | R775 Q777 R783 | R775-L779 HydrophobicContact CG-CD1 4.31Å; R775-L779 WeakPolarHBondContact O-CB 3.43Å; R775-L779 VanDerWaalsContact O-CG 3.28Å; R775-L779 WeakPolarHBondContact O-CG 3.4Å; R775-L779 PolarHBondContact O-N 3.09Å; Q777-L779 VanDerWaalsContact C-N 3.28Å; Q777-L779 PolarHBondContact O-N 3.33Å; L779-R783 VanDerWaalsContact O-CG 3.28Å; L779-R783 WeakPolarHBondContact O-CG 3.3Å; L779-R783 PolarHBondContact O-N 2.8Å |
| 780 | R | 77.1 | Confident | 74.6 | Confident | 134 Ų | 134 | 94 Ų | 94 | 51% | 0.506 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -78.5 | -40.4 | 173.3 | -79 | 178.1 | -70.8 | 173.1 | 3.2 | 111.2 | R776 Q777 E778 R783 L784 | R776-R780 WeakPolarHBondContact O-CG 3.33Å; R776-R780 PolarHBondContact O-NE 3.31Å; Q777-R780 WeakPolarHBondContact O-CA 3.34Å; Q777-R780 WeakPolarHBondContact O-CB 3.4Å; Q777-R780 PolarHBondContact O-N 3.04Å; E778-R780 VanDerWaalsContact C-N 3.32Å; E778-R780 PolarHBondContact O-N 3.41Å; R780-R783 PolarHBondContact O-N 3.26Å; R780-L784 WeakPolarHBondContact O-CG 3.23Å; R780-L784 PolarHBondContact O-N 2.93Å |
| 781 | E | 77 | Confident | 75.7 | Confident | 62 Ų | 62 | 95.6 Ų | 95.6 | 29% | 0.29 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 173.7 | -70.1 | 171.3 | -171.8 | 0 | 0 | 110.9 | Q777 E778 L784 L785 | Q777-E781 HydrophobicContact CG-CG 4.4Å; Q777-E781 WeakPolarHBondContact CG-OE1 3.32Å; Q777-E781 PolarHBondContact NE2-OE1 2.87Å; Q777-E781 PolarHBondContact O-N 2.87Å; E778-E781 PolarHBondContact O-N 3.16Å; E781-L784 PolarHBondContact O-N 2.99Å; E781-L785 PolarHBondContact O-N 3.41Å |
| 782 | L | 72.8 | Confident | 77 | Confident | 76 Ų | 76 | 92.1 Ų | 92.1 | 40% | 0.398 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 174.5 | -72.6 | 169.3 | 0 | 0 | 0 | 113.1 | E778 L784 L785 Q786 | E778-L782 WeakPolarHBondContact O-CB 3.42Å; E778-L782 VanDerWaalsContact O-CG 3.31Å; E778-L782 WeakPolarHBondContact O-CG 3.44Å; E778-L782 PolarHBondContact O-N 3.03Å; L782-L784 VanDerWaalsContact C-N 3.34Å; L782-L784 PolarHBondContact O-N 3.05Å; L782-L785 PolarHBondContact O-N 2.66Å; L782-Q786 WeakPolarHBondContact O-CB 3.42Å; L782-Q786 PolarHBondContact O-N 2.86Å |
| 783 | R | 76.9 | Confident | 78.1 | Confident | 172 Ų | 172 | 92.4 Ų | 92.4 | 65% | 0.649 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64.2 | -36.4 | 175.7 | -77.5 | 174.1 | 178 | -179.2 | -0.3 | 112.5 | L779 R780 K787 | L779-R783 VanDerWaalsContact O-CG 3.28Å; L779-R783 WeakPolarHBondContact O-CG 3.3Å; L779-R783 PolarHBondContact O-N 2.8Å; R780-R783 PolarHBondContact O-N 3.26Å; R783-K787 WeakPolarHBondContact O-CB 3.45Å; R783-K787 PolarHBondContact O-N 2.82Å; R783-K787 VanDerWaalsContact O-N 3.13Å |
| 784 | L | 80.3 | Confident | 78.9 | Confident | 110 Ų | 110 | 93 Ų | 93 | 58% | 0.576 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.9 | -45.7 | 173.8 | -73.2 | 168.7 | 0 | 0 | 0 | 111.3 | R780 E781 L782 Q786 K787 E788 | R780-L784 WeakPolarHBondContact O-CG 3.23Å; R780-L784 PolarHBondContact O-N 2.93Å; E781-L784 PolarHBondContact O-N 2.99Å; L782-L784 VanDerWaalsContact C-N 3.34Å; L782-L784 PolarHBondContact O-N 3.05Å; L784-Q786 VanDerWaalsContact C-N 3.34Å; L784-Q786 PolarHBondContact O-N 2.8Å; L784-K787 PolarHBondContact O-N 2.78Å; L784-K787 VanDerWaalsContact O-N 3.12Å; L784-E788 PolarHBondContact O-N 2.89Å |
| 785 | L | 80.3 | Confident | 80 | Confident | 30 Ų | 30 | 95.6 Ų | 95.6 | 16% | 0.157 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 176.7 | -162.2 | 87.8 | 0 | 0 | 0 | 111.8 | E781 L782 K787 E788 E789 K957 R958 | E781-L785 PolarHBondContact O-N 3.41Å; L782-L785 PolarHBondContact O-N 2.66Å; L785-K787 VanDerWaalsContact C-N 3.3Å; L785-K787 PolarHBondContact O-N 3.11Å; L785-E788 PolarHBondContact O-N 2.95Å; L785-E789 WeakPolarHBondContact O-CB 3.43Å; L785-E789 PolarHBondContact O-N 2.82Å; L785-K957 HydrophobicContact CD1-CB 4.42Å; L785-R958 HydrophobicContact CD2-CG 3.66Å |
| 786 | Q | 80 | Confident | 81.1 | Confident | 110 Ų | 110 | 90.4 Ų | 90.4 | 51% | 0.514 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.6 | -36.1 | 176.7 | -173.1 | 178.1 | 5.6 | 0 | 0 | 112.2 | L782 L784 E789 Q790 | L782-Q786 WeakPolarHBondContact O-CB 3.42Å; L782-Q786 PolarHBondContact O-N 2.86Å; L784-Q786 VanDerWaalsContact C-N 3.34Å; L784-Q786 PolarHBondContact O-N 2.8Å; Q786-E789 PolarHBondContact O-N 3.04Å; Q786-Q790 WeakPolarHBondContact O-CG 3.49Å; Q786-Q790 PolarHBondContact O-N 2.69Å |
| 787 | K | 82.8 | Confident | 81.9 | Confident | 147 Ų | 147 | 89.5 Ų | 89.5 | 64% | 0.639 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -72.7 | -36.7 | 176.5 | -172 | 169.9 | -176.4 | 167.6 | 0 | 112.6 | R783 L784 L785 R791 | R783-K787 WeakPolarHBondContact O-CB 3.45Å; R783-K787 PolarHBondContact O-N 2.82Å; R783-K787 VanDerWaalsContact O-N 3.13Å; L784-K787 PolarHBondContact O-N 2.78Å; L784-K787 VanDerWaalsContact O-N 3.12Å; L785-K787 VanDerWaalsContact C-N 3.3Å; L785-K787 PolarHBondContact O-N 3.11Å; K787-R791 VanDerWaalsContact O-CB 3.27Å; K787-R791 WeakPolarHBondContact O-CB 3.33Å; K787-R791 PolarHBondContact O-N 3.5Å; K787-R791 VanDerWaalsContact O-N 3.08Å |
| 788 | E | 84.9 | Confident | 82.7 | Confident | 105 Ų | 105 | 90.2 Ų | 90.2 | 49% | 0.491 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 169.4 | -76.6 | -174.5 | -163.3 | 0 | 0 | 111.7 | L784 L785 R791 A792 K957 | L784-E788 PolarHBondContact O-N 2.89Å; L785-E788 PolarHBondContact O-N 2.95Å; E788-R791 PolarHBondContact O-N 2.96Å; E788-A792 WeakPolarHBondContact O-CB 3.46Å; E788-A792 PolarHBondContact O-N 2.85Å; E788-K957 IonicContact OE2-NZ 2.66Å; E788-K957 PolarHBondContact OE2-NZ 2.89Å |
| 789 | E | 84.1 | Confident | 83.7 | Confident | 40 Ų | 40 | 94 Ų | 94 | 19% | 0.187 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.6 | -50.3 | 178.3 | 167.2 | 173.7 | 174.6 | 0 | 0 | 112.3 | L785 Q786 R791 A792 Q793 Q954 R958 | L785-E789 WeakPolarHBondContact O-CB 3.43Å; L785-E789 PolarHBondContact O-N 2.82Å; Q786-E789 PolarHBondContact O-N 3.04Å; E789-R791 VanDerWaalsContact C-N 3.31Å; E789-R791 PolarHBondContact O-N 3.29Å; E789-A792 PolarHBondContact O-N 3.46Å; E789-Q793 WeakPolarHBondContact O-CB 3.2Å; E789-Q793 PolarHBondContact O-N 2.82Å; E789-Q954 HydrophobicContact CG-CG 4.43Å; E789-R958 IonicContact OE1-CZ 3.68Å; E789-R958 IonicContact OE1-NH2 2.76Å; E789-R958 PolarHBondContact OE1-NH2 3.4Å; E789-R958 IonicContact OE2-CZ 2.63Å; E789-R958 IonicContact OE2-NE 3.58Å; E789-R958 PolarHBondContact OE2-NE 2.94Å; E789-R958 IonicContact OE2-NH2 2.66Å; E789-R958 PolarHBondContact OE2-NH2 3.44Å |
| 790 | Q | 84.3 | Confident | 84.7 | Confident | 105 Ų | 105 | 90.6 Ų | 90.6 | 49% | 0.491 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.2 | -43 | 173.7 | -75.9 | 176.2 | -19.7 | 0 | 0 | 111.9 | Q786 Q793 Q794 | Q786-Q790 WeakPolarHBondContact O-CG 3.49Å; Q786-Q790 PolarHBondContact O-N 2.69Å; Q790-Q793 PolarHBondContact O-N 3.01Å; Q790-Q794 WeakPolarHBondContact O-CB 3.5Å; Q790-Q794 PolarHBondContact O-N 3.31Å |
| 791 | R | 89.1 | Confident | 85.3 | Confident | 156 Ų | 156 | 88.3 Ų | 88.3 | 59% | 0.589 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.6 | -48.2 | 178.7 | -179.6 | 178.4 | 175.5 | 163.3 | 5.1 | 111.8 | K787 E788 E789 Q793 Q794 E795 | K787-R791 VanDerWaalsContact O-CB 3.27Å; K787-R791 WeakPolarHBondContact O-CB 3.33Å; K787-R791 PolarHBondContact O-N 3.5Å; K787-R791 VanDerWaalsContact O-N 3.08Å; E788-R791 PolarHBondContact O-N 2.96Å; E789-R791 VanDerWaalsContact C-N 3.31Å; E789-R791 PolarHBondContact O-N 3.29Å; R791-Q793 VanDerWaalsContact C-N 3.3Å; R791-Q793 PolarHBondContact O-N 2.91Å; R791-Q794 PolarHBondContact O-N 3.23Å; R791-E795 HydrophobicContact CG-CG 4.42Å; R791-E795 IonicContact CZ-OE1 3.68Å; R791-E795 VanDerWaalsContact CZ-OE1 3.29Å; R791-E795 IonicContact NE-OE1 2.7Å; R791-E795 PolarHBondContact NE-OE1 3.34Å; R791-E795 IonicContact NH2-OE1 2.98Å; R791-E795 PolarHBondContact NH2-OE1 3.01Å; R791-E795 WeakPolarHBondContact O-CB 3.21Å; R791-E795 WeakPolarHBondContact O-CG 3.32Å; R791-E795 PolarHBondContact O-N 3.49Å |
| 792 | A | 86.6 | Confident | 86.2 | Confident | 37 Ų | 37 | 91.7 Ų | 91.7 | 31% | 0.306 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E788 E789 L796 M950 | E788-A792 WeakPolarHBondContact O-CB 3.46Å; E788-A792 PolarHBondContact O-N 2.85Å; E789-A792 PolarHBondContact O-N 3.46Å; A792-L796 VanDerWaalsContact O-CB 3.29Å; A792-L796 WeakPolarHBondContact O-CB 3.46Å; A792-L796 PolarHBondContact O-N 2.91Å; A792-M950 HydrophobicContact CB-SD 4.29Å |
| 793 | Q | 85.1 | Confident | 87.1 | Confident | 111 Ų | 111 | 90.7 Ų | 90.7 | 52% | 0.519 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.5 | -39.2 | 175.1 | -175.5 | 173.8 | 21.1 | 0 | 0 | 112.4 | E789 Q790 R791 S797 M950 | E789-Q793 WeakPolarHBondContact O-CB 3.2Å; E789-Q793 PolarHBondContact O-N 2.82Å; Q790-Q793 PolarHBondContact O-N 3.01Å; R791-Q793 VanDerWaalsContact C-N 3.3Å; R791-Q793 PolarHBondContact O-N 2.91Å; Q793-S797 VanDerWaalsContact O-CB 3.27Å; Q793-S797 WeakPolarHBondContact O-CB 3.47Å; Q793-S797 PolarHBondContact O-N 2.91Å; Q793-M950 HydrophobicContact CB-CE 3.95Å; Q793-M950 HydrophobicContact CB-SD 4.22Å; Q793-M950 HydrophobicContact CG-CE 4.08Å |
| 794 | Q | 89.3 | Confident | 87.7 | Confident | 125 Ų | 125 | 87.9 Ų | 87.9 | 58% | 0.584 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -69.6 | -45.6 | 176 | -170.1 | 180 | 25 | 0 | 0 | 112 | Q790 R791 L796 S797 N798 | Q790-Q794 WeakPolarHBondContact O-CB 3.5Å; Q790-Q794 PolarHBondContact O-N 3.31Å; R791-Q794 PolarHBondContact O-N 3.23Å; Q794-L796 VanDerWaalsContact C-N 3.34Å; Q794-L796 PolarHBondContact O-N 3.03Å; Q794-S797 PolarHBondContact O-N 3.29Å; Q794-N798 WeakPolarHBondContact O-CB 3.32Å; Q794-N798 VanDerWaalsContact O-CG 3.25Å; Q794-N798 PolarHBondContact O-N 3.15Å; Q794-N798 PolarHBondContact O-ND2 3.49Å |
| 795 | E | 92.8 | Very high | 88.3 | Confident | 102 Ų | 102 | 85.6 Ų | 85.6 | 48% | 0.477 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 176.9 | -72.8 | 176.1 | 178.1 | 0 | 0 | 111.1 | R791 K799 | R791-E795 HydrophobicContact CG-CG 4.42Å; R791-E795 IonicContact CZ-OE1 3.68Å; R791-E795 VanDerWaalsContact CZ-OE1 3.29Å; R791-E795 IonicContact NE-OE1 2.7Å; R791-E795 PolarHBondContact NE-OE1 3.34Å; R791-E795 IonicContact NH2-OE1 2.98Å; R791-E795 PolarHBondContact NH2-OE1 3.01Å; R791-E795 WeakPolarHBondContact O-CB 3.21Å; R791-E795 WeakPolarHBondContact O-CG 3.32Å; R791-E795 PolarHBondContact O-N 3.49Å; E795-K799 PolarHBondContact O-N 3.03Å; E795-K799 VanDerWaalsContact O-N 3.12Å |
| 796 | L | 91.1 | Very high | 89 | Confident | 21 Ų | 21 | 90.9 Ų | 90.9 | 11% | 0.11 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.1 | -50.2 | 171.1 | 178.8 | 59.4 | 0 | 0 | 0 | 111.7 | A792 Q794 N798 K799 L800 D946 Q947 M950 | A792-L796 VanDerWaalsContact O-CB 3.29Å; A792-L796 WeakPolarHBondContact O-CB 3.46Å; A792-L796 PolarHBondContact O-N 2.91Å; Q794-L796 VanDerWaalsContact C-N 3.34Å; Q794-L796 PolarHBondContact O-N 3.03Å; L796-N798 VanDerWaalsContact C-N 3.28Å; L796-N798 PolarHBondContact O-N 2.84Å; L796-K799 HydrophobicContact CD1-CD 4.35Å; L796-K799 WeakPolarHBondContact O-CB 3.24Å; L796-K799 PolarHBondContact O-N 3.25Å; L796-K799 VanDerWaalsContact O-N 3.09Å; L796-L800 HydrophobicContact CD1-CD1 4.01Å; L796-L800 HydrophobicContact CD1-CD2 4.02Å; L796-L800 HydrophobicContact CD1-CG 3.82Å; L796-L800 HydrophobicContact CD2-CD1 4.5Å; L796-L800 HydrophobicContact CG-CD1 3.92Å; L796-L800 HydrophobicContact CG-CG 4.14Å; L796-L800 VanDerWaalsContact O-CG 3.3Å; L796-L800 WeakPolarHBondContact O-CG 3.48Å; L796-L800 PolarHBondContact O-N 3.43Å; L796-D946 HydrophobicContact CD1-CB 3.97Å; L796-Q947 HydrophobicContact CD2-CG 3.93Å; L796-M950 HydrophobicContact CB-SD 4.22Å; L796-M950 HydrophobicContact CD2-CB 4.15Å; L796-M950 HydrophobicContact CD2-CE 4.1Å; L796-M950 HydrophobicContact CD2-SD 3.73Å |
| 797 | S | 87 | Confident | 89.5 | Confident | 71 Ų | 71 | 87.5 Ų | 87.5 | 50% | 0.497 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -56.6 | -42.3 | -179 | -168.8 | 0 | 0 | 0 | 0 | 112.2 | Q793 Q794 L800 Q801 | Q793-S797 VanDerWaalsContact O-CB 3.27Å; Q793-S797 WeakPolarHBondContact O-CB 3.47Å; Q793-S797 PolarHBondContact O-N 2.91Å; Q794-S797 PolarHBondContact O-N 3.29Å; S797-L800 PolarHBondContact O-N 3.43Å; S797-Q801 PolarHBondContact O-N 3.45Å |
| 798 | N | 91.8 | Very high | 89.9 | Confident | 80 Ų | 80 | 86.2 Ų | 86.2 | 43% | 0.428 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 174.4 | -71.2 | -24.2 | 0 | 0 | 0 | 112.3 | Q794 L796 L800 Q801 Q802 | Q794-N798 WeakPolarHBondContact O-CB 3.32Å; Q794-N798 VanDerWaalsContact O-CG 3.25Å; Q794-N798 PolarHBondContact O-N 3.15Å; Q794-N798 PolarHBondContact O-ND2 3.49Å; L796-N798 VanDerWaalsContact C-N 3.28Å; L796-N798 PolarHBondContact O-N 2.84Å; N798-L800 PolarHBondContact O-N 3.44Å; N798-Q801 PolarHBondContact O-N 2.54Å; N798-Q802 WeakPolarHBondContact O-CG 3.48Å; N798-Q802 PolarHBondContact O-N 3.35Å |
| 799 | K | 94.2 | Very high | 90.3 | Very high | 97 Ų | 97 | 88.1 Ų | 88.1 | 42% | 0.422 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.3 | -46.6 | 175.1 | 178.2 | -162.8 | 173.6 | -158.1 | 0 | 111.3 | E795 L796 Q802 Q803 D946 | E795-K799 PolarHBondContact O-N 3.03Å; E795-K799 VanDerWaalsContact O-N 3.12Å; L796-K799 HydrophobicContact CD1-CD 4.35Å; L796-K799 WeakPolarHBondContact O-CB 3.24Å; L796-K799 PolarHBondContact O-N 3.25Å; L796-K799 VanDerWaalsContact O-N 3.09Å; K799-Q802 PolarHBondContact O-N 2.93Å; K799-Q803 WeakPolarHBondContact O-CG 3.41Å; K799-Q803 PolarHBondContact O-N 3.21Å; K799-D946 IonicContact NZ-OD2 3.7Å; K799-D946 PolarHBondContact NZ-OD2 3.24Å |
| 800 | L | 90.8 | Very high | 90.8 | Very high | 12 Ų | 12 | 91 Ų | 91 | 6% | 0.063 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.8 | -37.5 | -179.4 | -63.6 | -178 | 0 | 0 | 0 | 112.2 | L796 S797 N798 R804 Q943 Q947 | L796-L800 HydrophobicContact CD1-CD1 4.01Å; L796-L800 HydrophobicContact CD1-CD2 4.02Å; L796-L800 HydrophobicContact CD1-CG 3.82Å; L796-L800 HydrophobicContact CD2-CD1 4.5Å; L796-L800 HydrophobicContact CG-CD1 3.92Å; L796-L800 HydrophobicContact CG-CG 4.14Å; L796-L800 VanDerWaalsContact O-CG 3.3Å; L796-L800 WeakPolarHBondContact O-CG 3.48Å; L796-L800 PolarHBondContact O-N 3.43Å; S797-L800 PolarHBondContact O-N 3.43Å; N798-L800 PolarHBondContact O-N 3.44Å; L800-R804 PolarHBondContact O-N 2.78Å; L800-Q943 HydrophobicContact CD1-CB 4.14Å; L800-Q943 HydrophobicContact CD2-CB 3.81Å; L800-Q943 HydrophobicContact CD2-CG 3.78Å; L800-Q943 HydrophobicContact CG-CB 4.46Å; L800-Q943 PolarHBondContact O-NE2 3.17Å; L800-Q947 HydrophobicContact CD1-CG 4.14Å |
| 801 | Q | 91.3 | Very high | 91.3 | Very high | 85 Ų | 85 | 88.3 Ų | 88.3 | 40% | 0.397 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.4 | -46.3 | 172.5 | 171.9 | 163.7 | -21.4 | 0 | 0 | 112 | S797 N798 Q803 R804 E805 | S797-Q801 PolarHBondContact O-N 3.45Å; N798-Q801 PolarHBondContact O-N 2.54Å; Q801-Q803 VanDerWaalsContact C-N 3.34Å; Q801-Q803 PolarHBondContact O-N 2.66Å; Q801-R804 WeakPolarHBondContact O-CB 3.47Å; Q801-R804 PolarHBondContact O-N 3.03Å; Q801-R804 VanDerWaalsContact O-N 3.15Å; Q801-E805 HydrophobicContact CG-CG 4.45Å; Q801-E805 WeakPolarHBondContact CG-OE1 3.26Å; Q801-E805 PolarHBondContact NE2-OE1 3.35Å; Q801-E805 PolarHBondContact O-N 3.47Å |
| 802 | Q | 94.1 | Very high | 91.5 | Very high | 134 Ų | 134 | 87.1 Ų | 87.1 | 63% | 0.626 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.8 | -43.4 | -180 | -72.4 | 172.5 | 8 | 0 | 0 | 111.9 | N798 K799 R804 E805 Q806 | N798-Q802 WeakPolarHBondContact O-CG 3.48Å; N798-Q802 PolarHBondContact O-N 3.35Å; K799-Q802 PolarHBondContact O-N 2.93Å; Q802-R804 PolarHBondContact O-N 3.3Å; Q802-E805 PolarHBondContact O-N 3.04Å; Q802-Q806 WeakPolarHBondContact O-CB 3.47Å; Q802-Q806 PolarHBondContact O-N 2.94Å |
| 803 | Q | 92.3 | Very high | 91.9 | Very high | 54 Ų | 54 | 91.9 Ų | 91.9 | 25% | 0.252 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.8 | -45.8 | 173.6 | -72.3 | 174.6 | -25.2 | 0 | 0 | 112.3 | K799 Q801 Q806 I807 L939 | K799-Q803 WeakPolarHBondContact O-CG 3.41Å; K799-Q803 PolarHBondContact O-N 3.21Å; Q801-Q803 VanDerWaalsContact C-N 3.34Å; Q801-Q803 PolarHBondContact O-N 2.66Å; Q803-Q806 PolarHBondContact O-N 3.26Å; Q803-I807 PolarHBondContact O-N 3.4Å; Q803-I807 VanDerWaalsContact O-N 3.1Å; Q803-L939 HydrophobicContact CB-CD1 4.03Å; Q803-L939 HydrophobicContact CB-CD2 4.35Å |
| 804 | R | 89.3 | Confident | 92.4 | Very high | 113 Ų | 113 | 89.5 Ų | 89.5 | 43% | 0.426 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.6 | -47 | 178.6 | -175.2 | -176.9 | 68.9 | -143.5 | -2 | 111.2 | L800 Q801 Q802 Q806 I807 Y808 L939 | L800-R804 PolarHBondContact O-N 2.78Å; Q801-R804 WeakPolarHBondContact O-CB 3.47Å; Q801-R804 PolarHBondContact O-N 3.03Å; Q801-R804 VanDerWaalsContact O-N 3.15Å; Q802-R804 PolarHBondContact O-N 3.3Å; R804-Q806 VanDerWaalsContact C-N 3.33Å; R804-Q806 PolarHBondContact O-N 3.34Å; R804-I807 PolarHBondContact O-N 2.83Å; R804-Y808 HydrophobicContact CG-CD2 3.98Å; R804-Y808 HydrophobicContact CG-CE2 3.83Å; R804-Y808 VanDerWaalsContact O-CD2 3.27Å; R804-Y808 WeakPolarHBondContact O-CD2 3.22Å; R804-Y808 PolarHBondContact O-N 2.7Å; R804-Y808 VanDerWaalsContact O-N 3.15Å; R804-L939 HydrophobicContact CB-CD2 4.44Å |
| 805 | E | 93.4 | Very high | 92.6 | Very high | 63 Ų | 63 | 85.1 Ų | 85.1 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63 | -37.8 | 176.1 | -72.6 | -174.7 | -138.8 | 0 | 0 | 112.6 | Q801 Q802 Y808 R809 | Q801-E805 HydrophobicContact CG-CG 4.45Å; Q801-E805 WeakPolarHBondContact CG-OE1 3.26Å; Q801-E805 PolarHBondContact NE2-OE1 3.35Å; Q801-E805 PolarHBondContact O-N 3.47Å; Q802-E805 PolarHBondContact O-N 3.04Å; E805-Y808 PolarHBondContact O-N 3.45Å; E805-R809 WeakPolarHBondContact O-CB 3.48Å; E805-R809 WeakPolarHBondContact O-CG 3.2Å; E805-R809 PolarHBondContact O-N 2.96Å; E805-R809 IonicContact OE2-CZ 2.74Å; E805-R809 IonicContact OE2-NE 3.59Å; E805-R809 IonicContact OE2-NH2 3.49Å; E805-R809 PolarHBondContact OE2-NH2 2.37Å |
| 806 | Q | 94.4 | Very high | 92.7 | Very high | 141 Ų | 141 | 82.6 Ų | 82.6 | 66% | 0.659 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.9 | -44.2 | 178 | -171.7 | 177.3 | 5 | 0 | 0 | 112.1 | Q802 Q803 R804 R810 | Q802-Q806 WeakPolarHBondContact O-CB 3.47Å; Q802-Q806 PolarHBondContact O-N 2.94Å; Q803-Q806 PolarHBondContact O-N 3.26Å; R804-Q806 VanDerWaalsContact C-N 3.33Å; R804-Q806 PolarHBondContact O-N 3.34Å; Q806-R810 WeakPolarHBondContact O-CB 3.38Å; Q806-R810 PolarHBondContact O-N 2.83Å |
| 807 | I | 91.1 | Very high | 92.9 | Very high | 38 Ų | 38 | 84.5 Ų | 84.5 | 20% | 0.195 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.8 | -43 | 176.4 | -61.9 | -168.7 | 0 | 0 | 0 | 111.1 | Q803 R804 R809 R810 F811 L939 | Q803-I807 PolarHBondContact O-N 3.4Å; Q803-I807 VanDerWaalsContact O-N 3.1Å; R804-I807 PolarHBondContact O-N 2.83Å; I807-R809 PolarHBondContact O-N 3.38Å; I807-R810 PolarHBondContact O-N 3.46Å; I807-F811 WeakPolarHBondContact O-CB 3.49Å; I807-F811 PolarHBondContact O-N 3.03Å; I807-L939 HydrophobicContact CD1-CB 3.99Å; I807-L939 HydrophobicContact CD1-CD2 3.69Å; I807-L939 HydrophobicContact CD1-CG 4.3Å; I807-L939 HydrophobicContact CG1-CD2 4.34Å |
| 808 | Y | 90.1 | Very high | 93.2 | Very high | 121 Ų | 121 | 84.9 Ų | 84.9 | 48% | 0.475 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 176.7 | -84.4 | -62.9 | 0 | 0 | 0 | 112.7 | R804 E805 R810 F811 E812 H932 | R804-Y808 HydrophobicContact CG-CD2 3.98Å; R804-Y808 HydrophobicContact CG-CE2 3.83Å; R804-Y808 VanDerWaalsContact O-CD2 3.27Å; R804-Y808 WeakPolarHBondContact O-CD2 3.22Å; R804-Y808 PolarHBondContact O-N 2.7Å; R804-Y808 VanDerWaalsContact O-N 3.15Å; E805-Y808 PolarHBondContact O-N 3.45Å; Y808-R810 VanDerWaalsContact C-N 3.33Å; Y808-R810 PolarHBondContact O-N 3.07Å; Y808-F811 PolarHBondContact O-N 2.63Å; Y808-E812 WeakPolarHBondContact O-CB 3.44Å; Y808-E812 PolarHBondContact O-N 2.89Å; Y808-H932 AromaticContact CD1-NE2 3.95Å; Y808-H932 AromaticContact CE1-NE2 3.65Å |
| 809 | R | 95 | Very high | 93.2 | Very high | 145 Ų | 145 | 86.1 Ų | 86.1 | 55% | 0.547 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 177 | -68.2 | 170.9 | -163.6 | -158.6 | 8.9 | 111.6 | E805 I807 Q813 | E805-R809 WeakPolarHBondContact O-CB 3.48Å; E805-R809 WeakPolarHBondContact O-CG 3.2Å; E805-R809 PolarHBondContact O-N 2.96Å; E805-R809 IonicContact OE2-CZ 2.74Å; E805-R809 IonicContact OE2-NE 3.59Å; E805-R809 IonicContact OE2-NH2 3.49Å; E805-R809 PolarHBondContact OE2-NH2 2.37Å; I807-R809 PolarHBondContact O-N 3.38Å; R809-Q813 WeakPolarHBondContact O-CB 3.46Å; R809-Q813 WeakPolarHBondContact O-CG 3.16Å; R809-Q813 PolarHBondContact O-N 3.02Å; R809-Q813 VanDerWaalsContact O-N 3.09Å |
| 810 | R | 94.1 | Very high | 93.2 | Very high | 99 Ų | 99 | 90 Ų | 90 | 37% | 0.374 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.6 | -49 | 174.3 | 179.2 | -177 | 164.5 | -125.5 | -21.9 | 111.5 | Q806 I807 Y808 E812 Q813 E814 E935 | Q806-R810 WeakPolarHBondContact O-CB 3.38Å; Q806-R810 PolarHBondContact O-N 2.83Å; I807-R810 PolarHBondContact O-N 3.46Å; Y808-R810 VanDerWaalsContact C-N 3.33Å; Y808-R810 PolarHBondContact O-N 3.07Å; R810-E812 PolarHBondContact O-N 3.43Å; R810-Q813 PolarHBondContact O-N 3.48Å; R810-E814 IonicContact CZ-OE1 3.34Å; R810-E814 IonicContact NE-OE1 2.66Å; R810-E814 PolarHBondContact NE-OE1 2.71Å; R810-E814 IonicContact NH2-OE1 3.37Å; R810-E814 PolarHBondContact NH2-OE1 2.85Å; R810-E814 IonicContact NH2-OE2 2.72Å; R810-E814 PolarHBondContact NH2-OE2 3.22Å; R810-E814 PolarHBondContact O-N 3.38Å; R810-E935 IonicContact CZ-OE1 2.72Å; R810-E935 IonicContact CZ-OE2 3.55Å; R810-E935 IonicContact NH1-OE1 3.46Å; R810-E935 PolarHBondContact NH1-OE1 3.41Å; R810-E935 IonicContact NH1-OE2 3.78Å; R810-E935 PolarHBondContact NH1-OE2 3.47Å; R810-E935 IonicContact NH2-OE1 3.79Å; R810-E935 PolarHBondContact NH2-OE1 3.3Å |
| 811 | F | 94 | Very high | 93.4 | Very high | 50 Ų | 50 | 93.1 Ų | 93.1 | 22% | 0.219 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 179.9 | 174.4 | -109.8 | 0 | 0 | 0 | 112.6 | I807 Y808 T815 L928 E929 H932 | I807-F811 WeakPolarHBondContact O-CB 3.49Å; I807-F811 PolarHBondContact O-N 3.03Å; Y808-F811 PolarHBondContact O-N 2.63Å; F811-T815 WeakPolarHBondContact O-CB 3.32Å; F811-T815 PolarHBondContact O-N 3.43Å; F811-T815 PolarHBondContact O-OG1 2.94Å; F811-L928 HydrophobicContact CD2-CD2 4.05Å; F811-L928 HydrophobicContact CD2-CG 4.11Å; F811-L928 HydrophobicContact CE2-CD2 3.81Å; F811-L928 HydrophobicContact CE2-CG 3.87Å; F811-E929 HydrophobicContact CZ-CG 4.49Å; F811-H932 AromaticContact CD1-CD2 3.65Å; F811-H932 AromaticContact CD1-CG 4Å; F811-H932 AromaticContact CD1-NE2 3.76Å; F811-H932 HydrophobicContact CD2-CB 3.45Å; F811-H932 VanDerWaalsContact CD2-CB 3.45Å; F811-H932 AromaticContact CD2-CD2 3.91Å; F811-H932 AromaticContact CD2-CG 3.48Å; F811-H932 VanDerWaalsContact CD2-CG 3.48Å; F811-H932 AromaticContact CD2-ND1 3.96Å; F811-H932 AromaticContact CE1-CD2 3.76Å; F811-H932 HydrophobicContact CE2-CB 3.55Å; F811-H932 AromaticContact CE2-CG 3.83Å; F811-H932 HydrophobicContact CG-CB 4.08Å; F811-H932 AromaticContact CG-CD2 3.72Å; F811-H932 AromaticContact CG-CE1 3.94Å; F811-H932 AromaticContact CG-CG 3.56Å; F811-H932 AromaticContact CG-ND1 3.7Å; F811-H932 AromaticContact CG-NE2 3.97Å; F811-H932 HydrophobicContact CZ-CB 4.27Å; F811-H932 AromaticContact CZ-CD2 3.94Å |
| 812 | E | 94.3 | Very high | 93.5 | Very high | 130 Ų | 130 | 90.7 Ų | 90.7 | 61% | 0.607 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64 | -40 | 175.4 | -176 | 177.7 | -147.7 | 0 | 0 | 112.1 | Y808 R810 T816 | Y808-E812 WeakPolarHBondContact O-CB 3.44Å; Y808-E812 PolarHBondContact O-N 2.89Å; R810-E812 PolarHBondContact O-N 3.43Å; E812-T816 VanDerWaalsContact O-CB 3.22Å; E812-T816 WeakPolarHBondContact O-CB 3.44Å; E812-T816 PolarHBondContact O-N 3.13Å; E812-T816 PolarHBondContact O-OG1 2.85Å |
| 813 | Q | 95.1 | Very high | 93.4 | Very high | 137 Ų | 137 | 87.5 Ų | 87.5 | 64% | 0.64 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66 | -48.8 | 175.8 | -73.3 | 171.2 | 16.9 | 0 | 0 | 112 | R809 R810 T816 A817 | R809-Q813 WeakPolarHBondContact O-CB 3.46Å; R809-Q813 WeakPolarHBondContact O-CG 3.16Å; R809-Q813 PolarHBondContact O-N 3.02Å; R809-Q813 VanDerWaalsContact O-N 3.09Å; R810-Q813 PolarHBondContact O-N 3.48Å; Q813-T816 PolarHBondContact O-N 3.49Å; Q813-A817 VanDerWaalsContact O-CB 3.3Å; Q813-A817 WeakPolarHBondContact O-CB 3.21Å; Q813-A817 PolarHBondContact O-N 2.87Å |
| 814 | E | 95.4 | Very high | 93.6 | Very high | 62 Ų | 62 | 89.3 Ų | 89.3 | 29% | 0.29 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 177.5 | -72.6 | -175.9 | -154.9 | 0 | 0 | 111.5 | R810 T816 A817 K818 L928 | R810-E814 IonicContact CZ-OE1 3.34Å; R810-E814 IonicContact NE-OE1 2.66Å; R810-E814 PolarHBondContact NE-OE1 2.71Å; R810-E814 IonicContact NH2-OE1 3.37Å; R810-E814 PolarHBondContact NH2-OE1 2.85Å; R810-E814 IonicContact NH2-OE2 2.72Å; R810-E814 PolarHBondContact NH2-OE2 3.22Å; R810-E814 PolarHBondContact O-N 3.38Å; E814-T816 PolarHBondContact O-N 3.28Å; E814-A817 PolarHBondContact O-N 3.19Å; E814-K818 WeakPolarHBondContact O-CB 3.35Å; E814-K818 PolarHBondContact O-N 3.12Å; E814-L928 HydrophobicContact CB-CD1 4.03Å; E814-L928 HydrophobicContact CB-CD2 4.2Å |
| 815 | T | 92.9 | Very high | 93.8 | Very high | 33 Ų | 33 | 87 Ų | 87 | 20% | 0.202 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -55 | -51.3 | 172.5 | -69.8 | 0 | 0 | 0 | 0 | 111.2 | F811 K819 M925 L928 | F811-T815 WeakPolarHBondContact O-CB 3.32Å; F811-T815 PolarHBondContact O-N 3.43Å; F811-T815 PolarHBondContact O-OG1 2.94Å; T815-K819 VanDerWaalsContact O-CB 3.25Å; T815-K819 WeakPolarHBondContact O-CB 3.25Å; T815-K819 PolarHBondContact O-N 2.85Å; T815-M925 HydrophobicContact CG2-CE 3.77Å; T815-L928 VanDerWaalsContact OG1-CD2 3.27Å; T815-L928 WeakPolarHBondContact OG1-CD2 3.46Å |
| 816 | T | 94.1 | Very high | 93.7 | Very high | 49 Ų | 49 | 84.8 Ų | 84.8 | 30% | 0.301 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.2 | -38.7 | -176.3 | -61.8 | 0 | 0 | 0 | 0 | 111.6 | E812 Q813 E814 R820 | E812-T816 VanDerWaalsContact O-CB 3.22Å; E812-T816 WeakPolarHBondContact O-CB 3.44Å; E812-T816 PolarHBondContact O-N 3.13Å; E812-T816 PolarHBondContact O-OG1 2.85Å; Q813-T816 PolarHBondContact O-N 3.49Å; E814-T816 PolarHBondContact O-N 3.28Å; T816-R820 WeakPolarHBondContact O-CB 3.44Å; T816-R820 VanDerWaalsContact O-CG 3.25Å; T816-R820 WeakPolarHBondContact O-CG 3.42Å; T816-R820 PolarHBondContact O-N 2.73Å |
| 817 | A | 95.4 | Very high | 93.7 | Very high | 60 Ų | 60 | 83.2 Ų | 83.2 | 50% | 0.496 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.3 | -49.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q813 E814 K819 R820 Q821 | Q813-A817 VanDerWaalsContact O-CB 3.3Å; Q813-A817 WeakPolarHBondContact O-CB 3.21Å; Q813-A817 PolarHBondContact O-N 2.87Å; E814-A817 PolarHBondContact O-N 3.19Å; A817-K819 PolarHBondContact O-N 2.07Å; A817-R820 PolarHBondContact O-N 3.43Å; A817-Q821 PolarHBondContact O-N 3.09Å |
| 818 | K | 93.3 | Very high | 93.8 | Very high | 79 Ų | 79 | 85.2 Ų | 85.2 | 34% | 0.343 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 178.5 | -82.8 | -74.4 | 164.3 | -165 | 0 | 112.5 | E814 Q821 Y822 | E814-K818 WeakPolarHBondContact O-CB 3.35Å; E814-K818 PolarHBondContact O-N 3.12Å; K818-Q821 WeakPolarHBondContact O-CB 3.38Å; K818-Q821 PolarHBondContact O-N 3.3Å; K818-Y822 HydrophobicContact CD-CE2 4.34Å; K818-Y822 WeakPolarHBondContact O-CD2 3.43Å; K818-Y822 PolarHBondContact O-N 3.02Å |
| 819 | K | 92.5 | Very high | 93.8 | Very high | 106 Ų | 106 | 80.8 Ų | 80.8 | 46% | 0.461 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.2 | -50.3 | 173.9 | -177.4 | 175.1 | 178.7 | -179 | 0 | 111.7 | T815 A817 Q821 Y822 D823 | T815-K819 VanDerWaalsContact O-CB 3.25Å; T815-K819 WeakPolarHBondContact O-CB 3.25Å; T815-K819 PolarHBondContact O-N 2.85Å; A817-K819 PolarHBondContact O-N 2.07Å; K819-Q821 VanDerWaalsContact C-N 3.32Å; K819-Q821 PolarHBondContact O-N 3.1Å; K819-Y822 PolarHBondContact O-N 2.79Å; K819-D823 WeakPolarHBondContact CG-OD2 3.46Å; K819-D823 WeakPolarHBondContact O-CB 3.39Å; K819-D823 PolarHBondContact O-N 3.49Å |
| 820 | R | 94.9 | Very high | 93.5 | Very high | 179 Ų | 179 | 77.6 Ų | 77.6 | 68% | 0.675 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.8 | -38.3 | 177.6 | -73.8 | 173.4 | -175 | 175.1 | 4.8 | 112.7 | T816 A817 Q824 | T816-R820 WeakPolarHBondContact O-CB 3.44Å; T816-R820 VanDerWaalsContact O-CG 3.25Å; T816-R820 WeakPolarHBondContact O-CG 3.42Å; T816-R820 PolarHBondContact O-N 2.73Å; A817-R820 PolarHBondContact O-N 3.43Å; R820-Q824 VanDerWaalsContact O-CB 3.27Å; R820-Q824 WeakPolarHBondContact O-CB 3.41Å; R820-Q824 PolarHBondContact O-N 2.72Å |
| 821 | Q | 95 | Very high | 93.4 | Very high | 78 Ų | 78 | 78.7 Ų | 78.7 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57 | -57.7 | 177 | -170.9 | -160.4 | -32.2 | 0 | 0 | 111 | A817 K818 K819 Q824 E825 | A817-Q821 PolarHBondContact O-N 3.09Å; K818-Q821 WeakPolarHBondContact O-CB 3.38Å; K818-Q821 PolarHBondContact O-N 3.3Å; K819-Q821 VanDerWaalsContact C-N 3.32Å; K819-Q821 PolarHBondContact O-N 3.1Å; Q821-Q824 PolarHBondContact O-N 2.83Å; Q821-E825 WeakPolarHBondContact CG-OE1 3.44Å; Q821-E825 PolarHBondContact NE2-OE1 3.38Å; Q821-E825 WeakPolarHBondContact O-CG 3.36Å; Q821-E825 PolarHBondContact O-N 3.44Å |
| 822 | Y | 93.4 | Very high | 93.2 | Very high | 33 Ų | 33 | 83.2 Ų | 83.2 | 13% | 0.129 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -69.2 | -36.1 | -177.8 | -73.2 | -69.9 | 0 | 0 | 0 | 113.3 | K818 K819 Q824 E825 V826 A920 R921 A924 | K818-Y822 HydrophobicContact CD-CE2 4.34Å; K818-Y822 WeakPolarHBondContact O-CD2 3.43Å; K818-Y822 PolarHBondContact O-N 3.02Å; K819-Y822 PolarHBondContact O-N 2.79Å; Y822-Q824 PolarHBondContact O-N 2.94Å; Y822-E825 PolarHBondContact O-N 3.16Å; Y822-V826 WeakPolarHBondContact O-CG2 3.37Å; Y822-V826 PolarHBondContact O-N 3.04Å; Y822-A920 HydrophobicContact CE1-CB 3.97Å; Y822-R921 HydrophobicContact CD1-CB 4.05Å; Y822-R921 HydrophobicContact CD2-CB 3.75Å; Y822-R921 HydrophobicContact CD2-CG 3.79Å; Y822-R921 HydrophobicContact CE2-CB 4.32Å; Y822-R921 HydrophobicContact CG-CB 3.6Å; Y822-R921 HydrophobicContact CG-CG 3.83Å; Y822-A924 HydrophobicContact CE2-CB 3.85Å |
| 823 | D | 91.9 | Very high | 92.9 | Very high | 68 Ų | 68 | 79.1 Ų | 79.1 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.5 | -36.6 | 175.7 | -67.2 | -5.8 | 0 | 0 | 0 | 110.3 | K819 E827 R921 | K819-D823 WeakPolarHBondContact CG-OD2 3.46Å; K819-D823 WeakPolarHBondContact O-CB 3.39Å; K819-D823 PolarHBondContact O-N 3.49Å; D823-E827 PolarHBondContact O-N 3.25Å; D823-R921 IonicContact OD1-CZ 3.85Å; D823-R921 IonicContact OD1-NE 2.72Å; D823-R921 PolarHBondContact OD1-NE 3.5Å; D823-R921 IonicContact OD1-NH2 3.18Å; D823-R921 PolarHBondContact OD1-NH2 3.34Å; D823-R921 IonicContact OD2-NH2 3.15Å; D823-R921 PolarHBondContact OD2-NH2 2.68Å |
| 824 | Q | 95.4 | Very high | 92.6 | Very high | 92 Ų | 92 | 79.6 Ų | 79.6 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -73.7 | -36.9 | 175.1 | -175.2 | 63.8 | 94 | 0 | 0 | 113.6 | R820 Q821 Y822 V826 E827 N828 | R820-Q824 VanDerWaalsContact O-CB 3.27Å; R820-Q824 WeakPolarHBondContact O-CB 3.41Å; R820-Q824 PolarHBondContact O-N 2.72Å; Q821-Q824 PolarHBondContact O-N 2.83Å; Y822-Q824 PolarHBondContact O-N 2.94Å; Q824-V826 VanDerWaalsContact C-N 3.34Å; Q824-E827 PolarHBondContact NE2-OE2 2.84Å; Q824-E827 PolarHBondContact O-N 3.16Å; Q824-N828 WeakPolarHBondContact O-CB 3.41Å; Q824-N828 PolarHBondContact O-N 2.7Å; Q824-N828 PolarHBondContact O-ND2 3.24Å; Q824-N828 VanDerWaalsContact O-ND2 3.09Å |
| 825 | E | 94.1 | Very high | 92.4 | Very high | 64 Ų | 64 | 81.7 Ų | 81.7 | 30% | 0.299 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 174.1 | -74.7 | 172 | -159.1 | 0 | 0 | 111.6 | Q821 Y822 N828 L829 L917 | Q821-E825 WeakPolarHBondContact CG-OE1 3.44Å; Q821-E825 PolarHBondContact NE2-OE1 3.38Å; Q821-E825 WeakPolarHBondContact O-CG 3.36Å; Q821-E825 PolarHBondContact O-N 3.44Å; Y822-E825 PolarHBondContact O-N 3.16Å; E825-N828 PolarHBondContact O-N 3.06Å; E825-L829 PolarHBondContact O-N 3.12Å; E825-L917 HydrophobicContact CB-CD1 4.35Å |
| 826 | V | 91.4 | Very high | 92.1 | Very high | 16 Ų | 16 | 82.2 Ų | 82.2 | 10% | 0.097 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 174.9 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | Y822 Q824 N828 L829 E830 K914 L917 L918 | Y822-V826 WeakPolarHBondContact O-CG2 3.37Å; Y822-V826 PolarHBondContact O-N 3.04Å; Q824-V826 VanDerWaalsContact C-N 3.34Å; V826-N828 VanDerWaalsContact C-N 3.34Å; V826-N828 PolarHBondContact O-N 2.87Å; V826-L829 WeakPolarHBondContact O-CB 3.46Å; V826-L829 PolarHBondContact O-N 3.43Å; V826-E830 WeakPolarHBondContact O-CG 3.39Å; V826-E830 PolarHBondContact O-N 2.87Å; V826-E830 VanDerWaalsContact O-N 3.07Å; V826-K914 HydrophobicContact CG1-CD 4.17Å; V826-K914 HydrophobicContact CG1-CG 4.15Å; V826-L917 HydrophobicContact CG2-CB 4.02Å; V826-L917 HydrophobicContact CG2-CD1 4.04Å; V826-L918 HydrophobicContact CG2-CD2 4.45Å |
| 827 | E | 93.3 | Very high | 91.7 | Very high | 108 Ų | 108 | 80.9 Ų | 80.9 | 51% | 0.505 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 175 | -172.8 | -170 | -163.7 | 0 | 0 | 111.6 | D823 Q824 L829 E830 K831 | D823-E827 PolarHBondContact O-N 3.25Å; Q824-E827 PolarHBondContact NE2-OE2 2.84Å; Q824-E827 PolarHBondContact O-N 3.16Å; E827-L829 VanDerWaalsContact C-N 3.31Å; E827-L829 PolarHBondContact O-N 2.83Å; E827-E830 PolarHBondContact O-N 3.47Å; E827-K831 VanDerWaalsContact O-CB 3.29Å; E827-K831 WeakPolarHBondContact O-CB 3.12Å; E827-K831 PolarHBondContact O-N 3.09Å |
| 828 | N | 93.1 | Very high | 91.3 | Very high | 80 Ų | 80 | 82.6 Ų | 82.6 | 43% | 0.428 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63 | -37.1 | 178.4 | -79 | -41.4 | 0 | 0 | 0 | 112.4 | Q824 E825 V826 K832 | Q824-N828 WeakPolarHBondContact O-CB 3.41Å; Q824-N828 PolarHBondContact O-N 2.7Å; Q824-N828 PolarHBondContact O-ND2 3.24Å; Q824-N828 VanDerWaalsContact O-ND2 3.09Å; E825-N828 PolarHBondContact O-N 3.06Å; V826-N828 VanDerWaalsContact C-N 3.34Å; V826-N828 PolarHBondContact O-N 2.87Å; N828-K832 WeakPolarHBondContact O-CB 3.47Å; N828-K832 PolarHBondContact O-N 3.3Å |
| 829 | L | 91.6 | Very high | 91.1 | Very high | 29 Ų | 29 | 85.9 Ų | 85.9 | 15% | 0.152 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.5 | -51 | 173.1 | 179.3 | 70.2 | 0 | 0 | 0 | 111.7 | E825 V826 E827 K831 K832 Q833 H913 K914 L917 | E825-L829 PolarHBondContact O-N 3.12Å; V826-L829 WeakPolarHBondContact O-CB 3.46Å; V826-L829 PolarHBondContact O-N 3.43Å; E827-L829 VanDerWaalsContact C-N 3.31Å; E827-L829 PolarHBondContact O-N 2.83Å; L829-K831 VanDerWaalsContact C-N 3.32Å; L829-K831 PolarHBondContact O-N 2.79Å; L829-K832 PolarHBondContact O-N 2.74Å; L829-Q833 PolarHBondContact O-N 2.93Å; L829-H913 HydrophobicContact CD1-CB 4.37Å; L829-H913 HydrophobicContact CD2-CB 4.14Å; L829-K914 HydrophobicContact CD2-CB 3.81Å; L829-L917 HydrophobicContact CB-CD1 4.46Å; L829-L917 HydrophobicContact CD2-CD1 4.05Å |
| 830 | E | 87.6 | Confident | 90.7 | Very high | 78 Ų | 78 | 82.5 Ų | 82.5 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 179.5 | -69.7 | -176.6 | 165.8 | 0 | 0 | 112.1 | V826 E827 Q833 K834 K914 | V826-E830 WeakPolarHBondContact O-CG 3.39Å; V826-E830 PolarHBondContact O-N 2.87Å; V826-E830 VanDerWaalsContact O-N 3.07Å; E827-E830 PolarHBondContact O-N 3.47Å; E830-Q833 PolarHBondContact O-N 3.01Å; E830-K834 WeakPolarHBondContact O-CB 3.39Å; E830-K834 PolarHBondContact O-N 2.96Å; E830-K914 WeakPolarHBondContact OE1-CE 3.42Å; E830-K914 IonicContact OE1-NZ 2.67Å; E830-K914 PolarHBondContact OE1-NZ 3.36Å |
| 831 | K | 92.2 | Very high | 90.2 | Very high | 121 Ų | 121 | 77.9 Ų | 77.9 | 53% | 0.526 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 174.8 | -171.8 | 174.9 | -178.5 | 177.7 | 0 | 111.7 | E827 L829 Q835 | E827-K831 VanDerWaalsContact O-CB 3.29Å; E827-K831 WeakPolarHBondContact O-CB 3.12Å; E827-K831 PolarHBondContact O-N 3.09Å; L829-K831 VanDerWaalsContact C-N 3.32Å; L829-K831 PolarHBondContact O-N 2.79Å; K831-Q835 WeakPolarHBondContact O-CG 3.32Å; K831-Q835 PolarHBondContact O-N 2.81Å; K831-Q835 VanDerWaalsContact O-N 3.1Å |
| 832 | K | 89.8 | Confident | 89.8 | Confident | 145 Ų | 145 | 79.8 Ų | 79.8 | 63% | 0.63 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -68.5 | -40 | 176.5 | -173 | -180 | -179.7 | -177.4 | 0 | 112.4 | N828 L829 T836 | N828-K832 WeakPolarHBondContact O-CB 3.47Å; N828-K832 PolarHBondContact O-N 3.3Å; L829-K832 PolarHBondContact O-N 2.74Å; K832-T836 WeakPolarHBondContact O-CB 3.44Å; K832-T836 PolarHBondContact O-N 3.12Å; K832-T836 VanDerWaalsContact O-N 3.13Å; K832-T836 PolarHBondContact O-OG1 2.74Å |
| 833 | Q | 89 | Confident | 89.4 | Confident | 45 Ų | 45 | 81.9 Ų | 81.9 | 21% | 0.21 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.9 | -54.6 | 172.2 | -179.1 | -162.1 | -1.7 | 0 | 0 | 110.2 | L829 E830 Q835 T836 I837 I906 C910 | L829-Q833 PolarHBondContact O-N 2.93Å; E830-Q833 PolarHBondContact O-N 3.01Å; Q833-Q835 PolarHBondContact O-N 2.9Å; Q833-T836 WeakPolarHBondContact O-CA 3.4Å; Q833-T836 WeakPolarHBondContact O-CB 3.1Å; Q833-T836 PolarHBondContact O-N 3.16Å; Q833-I837 HydrophobicContact CG-CD1 3.89Å; Q833-I837 PolarHBondContact O-N 3.44Å; Q833-I906 HydrophobicContact CG-CG2 4.43Å; Q833-C910 HydrophobicContact CB-CB 4.22Å; Q833-C910 HydrophobicContact CG-CB 3.8Å; Q833-C910 PolarHBondContact OE1-SG 3Å |
| 834 | K | 88.4 | Confident | 89 | Confident | 147 Ų | 147 | 79.2 Ų | 79.2 | 64% | 0.639 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -56.6 | -47 | -178.4 | -176.5 | -179.4 | 175.5 | -175 | 0 | 112.3 | E830 T836 I837 E838 | E830-K834 WeakPolarHBondContact O-CB 3.39Å; E830-K834 PolarHBondContact O-N 2.96Å; K834-T836 PolarHBondContact O-N 2.69Å; K834-I837 PolarHBondContact O-N 2.82Å; K834-E838 WeakPolarHBondContact O-CB 3.27Å; K834-E838 PolarHBondContact O-N 3.18Å |
| 835 | Q | 91.1 | Very high | 88.4 | Confident | 105 Ų | 105 | 76.4 Ų | 76.4 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.1 | -29.2 | 175.7 | -73.8 | 177.1 | -10.3 | 0 | 0 | 113.4 | K831 Q833 R839 | K831-Q835 WeakPolarHBondContact O-CG 3.32Å; K831-Q835 PolarHBondContact O-N 2.81Å; K831-Q835 VanDerWaalsContact O-N 3.1Å; Q833-Q835 PolarHBondContact O-N 2.9Å; Q835-R839 WeakPolarHBondContact O-CB 3.13Å; Q835-R839 PolarHBondContact O-N 3.45Å |
| 836 | T | 87.4 | Confident | 88 | Confident | 45 Ų | 45 | 75.5 Ų | 75.5 | 28% | 0.276 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -78.3 | -42 | 178.9 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | K832 Q833 K834 R839 L840 I906 | K832-T836 WeakPolarHBondContact O-CB 3.44Å; K832-T836 PolarHBondContact O-N 3.12Å; K832-T836 VanDerWaalsContact O-N 3.13Å; K832-T836 PolarHBondContact O-OG1 2.74Å; Q833-T836 WeakPolarHBondContact O-CA 3.4Å; Q833-T836 WeakPolarHBondContact O-CB 3.1Å; Q833-T836 PolarHBondContact O-N 3.16Å; K834-T836 PolarHBondContact O-N 2.69Å; T836-R839 PolarHBondContact O-N 3.21Å; T836-L840 HydrophobicContact CG2-CD1 4.44Å; T836-L840 WeakPolarHBondContact O-CG 3.21Å; T836-L840 PolarHBondContact O-N 3.12Å; T836-L840 VanDerWaalsContact O-N 3.13Å; T836-I906 HydrophobicContact CG2-CD1 4.33Å |
| 837 | I | 84.4 | Confident | 87.6 | Confident | 21 Ų | 21 | 79.7 Ų | 79.7 | 11% | 0.108 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.1 | -50.5 | 173.6 | -65.4 | 171.6 | 0 | 0 | 0 | 110.2 | Q833 K834 R839 L840 E841 I903 I906 E907 | Q833-I837 HydrophobicContact CG-CD1 3.89Å; Q833-I837 PolarHBondContact O-N 3.44Å; K834-I837 PolarHBondContact O-N 2.82Å; I837-R839 PolarHBondContact O-N 3.2Å; I837-L840 WeakPolarHBondContact O-CA 3.46Å; I837-L840 PolarHBondContact O-N 3.16Å; I837-E841 HydrophobicContact CG2-CG 4.24Å; I837-E841 WeakPolarHBondContact O-CG 3.18Å; I837-E841 PolarHBondContact O-N 2.92Å; I837-I903 HydrophobicContact CG2-CD1 4.35Å; I837-I903 HydrophobicContact CG2-CG1 4.41Å; I837-I906 HydrophobicContact CG1-CG2 4.08Å; I837-E907 HydrophobicContact CD1-CG 3.85Å |
| 838 | E | 87.9 | Confident | 87.1 | Confident | 95 Ų | 95 | 75.2 Ų | 75.2 | 44% | 0.444 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.6 | -36.4 | 179.5 | 179.4 | 171.5 | -169.4 | 0 | 0 | 112.3 | K834 Q842 | K834-E838 WeakPolarHBondContact O-CB 3.27Å; K834-E838 PolarHBondContact O-N 3.18Å; E838-Q842 VanDerWaalsContact O-CG 3.28Å; E838-Q842 WeakPolarHBondContact O-CG 3.42Å; E838-Q842 PolarHBondContact O-N 3.44Å; E838-Q842 VanDerWaalsContact O-N 3.16Å |
| 839 | R | 88.8 | Confident | 86.7 | Confident | 148 Ų | 148 | 78 Ų | 78 | 56% | 0.558 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.9 | -44.5 | 173.4 | -170.5 | -176.5 | -60.5 | 116.6 | 4 | 111.9 | Q835 T836 I837 Q842 D843 | Q835-R839 WeakPolarHBondContact O-CB 3.13Å; Q835-R839 PolarHBondContact O-N 3.45Å; T836-R839 PolarHBondContact O-N 3.21Å; I837-R839 PolarHBondContact O-N 3.2Å; R839-Q842 PolarHBondContact O-N 2.84Å; R839-D843 WeakPolarHBondContact O-CB 3.34Å; R839-D843 PolarHBondContact O-N 2.99Å |
| 840 | L | 83.8 | Confident | 86.5 | Confident | 36 Ų | 36 | 79 Ų | 79 | 19% | 0.188 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.2 | -37.5 | 178.8 | -73 | 166.3 | 0 | 0 | 0 | 112.2 | T836 I837 Q842 D843 H844 I906 | T836-L840 HydrophobicContact CG2-CD1 4.44Å; T836-L840 WeakPolarHBondContact O-CG 3.21Å; T836-L840 PolarHBondContact O-N 3.12Å; T836-L840 VanDerWaalsContact O-N 3.13Å; I837-L840 WeakPolarHBondContact O-CA 3.46Å; I837-L840 PolarHBondContact O-N 3.16Å; L840-Q842 VanDerWaalsContact C-N 3.34Å; L840-Q842 PolarHBondContact O-N 2.88Å; L840-D843 PolarHBondContact O-N 3.32Å; L840-H844 WeakPolarHBondContact O-CB 3.26Å; L840-H844 PolarHBondContact O-N 3.42Å; L840-I906 HydrophobicContact CD1-CD1 3.18Å |
| 841 | E | 84.1 | Confident | 86.3 | Confident | 81 Ų | 81 | 77.8 Ų | 77.8 | 38% | 0.379 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 172.6 | -70.2 | -175.5 | 128.9 | 0 | 0 | 111.6 | I837 T845 I903 | I837-E841 HydrophobicContact CG2-CG 4.24Å; I837-E841 WeakPolarHBondContact O-CG 3.18Å; I837-E841 PolarHBondContact O-N 2.92Å; E841-T845 VanDerWaalsContact O-CB 3.26Å; E841-T845 WeakPolarHBondContact O-CB 3.4Å; E841-T845 PolarHBondContact O-N 3.34Å; E841-T845 PolarHBondContact O-OG1 3.24Å; E841-I903 HydrophobicContact CG-CD1 4.39Å |
| 842 | Q | 87.5 | Confident | 85.8 | Confident | 118 Ų | 118 | 73.7 Ų | 73.7 | 55% | 0.551 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.3 | -44.6 | 175.3 | -70 | 173.8 | 29.7 | 0 | 0 | 112.1 | E838 R839 L840 T845 S846 | E838-Q842 VanDerWaalsContact O-CG 3.28Å; E838-Q842 WeakPolarHBondContact O-CG 3.42Å; E838-Q842 PolarHBondContact O-N 3.44Å; E838-Q842 VanDerWaalsContact O-N 3.16Å; R839-Q842 PolarHBondContact O-N 2.84Å; L840-Q842 VanDerWaalsContact C-N 3.34Å; L840-Q842 PolarHBondContact O-N 2.88Å; Q842-T845 PolarHBondContact O-N 3.36Å; Q842-S846 PolarHBondContact O-N 2.97Å |
| 843 | D | 84.1 | Confident | 85.7 | Confident | 77 Ų | 77 | 72.9 Ų | 72.9 | 41% | 0.412 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 178.8 | -135.6 | 65.2 | 0 | 0 | 0 | 111.1 | R839 L840 T845 S846 R847 | R839-D843 WeakPolarHBondContact O-CB 3.34Å; R839-D843 PolarHBondContact O-N 2.99Å; L840-D843 PolarHBondContact O-N 3.32Å; D843-T845 VanDerWaalsContact C-N 3.32Å; D843-T845 PolarHBondContact O-N 3.46Å; D843-S846 PolarHBondContact O-N 3.47Å; D843-S846 VanDerWaalsContact O-N 3.08Å; D843-R847 WeakPolarHBondContact O-CG 3.34Å; D843-R847 PolarHBondContact O-N 3.49Å; D843-R847 IonicContact OD2-CZ 3.46Å; D843-R847 IonicContact OD2-NE 3.42Å; D843-R847 PolarHBondContact OD2-NE 3.15Å; D843-R847 IonicContact OD2-NH2 2.78Å; D843-R847 PolarHBondContact OD2-NH2 2.95Å |
| 844 | H | 83.3 | Confident | 85.5 | Confident | 13 Ų | 13 | 77.9 Ų | 77.9 | 6% | 0.06 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 174 | -173.9 | -115 | 0 | 0 | 0 | 112.2 | L840 S846 R847 L848 I895 H899 | L840-H844 WeakPolarHBondContact O-CB 3.26Å; L840-H844 PolarHBondContact O-N 3.42Å; H844-S846 VanDerWaalsContact C-N 3.27Å; H844-S846 PolarHBondContact O-N 3.39Å; H844-R847 PolarHBondContact O-N 3.44Å; H844-R847 VanDerWaalsContact O-N 3.17Å; H844-L848 WeakPolarHBondContact CE1-CD1 3.4Å; H844-L848 PolarHBondContact O-N 2.72Å; H844-I895 WeakPolarHBondContact NE2-CG2 3.27Å; H844-I895 PolarHBondContact NE2-O 3.33Å; H844-H899 WeakPolarHBondContact CD2-CB 3.37Å; H844-H899 AromaticContact CD2-CG 3.57Å; H844-H899 AromaticContact CD2-ND1 3.72Å; H844-H899 AromaticContact CE1-CG 3.86Å; H844-H899 AromaticContact CE1-ND1 3.39Å; H844-H899 PolarHBondContact CE1-ND1 3.42Å; H844-H899 AromaticContact CG-CE1 3.77Å; H844-H899 AromaticContact CG-CG 3.49Å; H844-H899 VanDerWaalsContact CG-CG 3.49Å; H844-H899 AromaticContact CG-ND1 3.21Å; H844-H899 AromaticContact ND1-CE1 3.71Å; H844-H899 AromaticContact ND1-CG 3.73Å; H844-H899 AromaticContact ND1-ND1 3.02Å; H844-H899 PolarHBondContact ND1-ND1 2.96Å; H844-H899 WeakPolarHBondContact NE2-CB 3.46Å; H844-H899 AromaticContact NE2-CG 3.77Å; H844-H899 AromaticContact NE2-ND1 3.78Å |
| 845 | T | 83.8 | Confident | 85.1 | Confident | 33 Ų | 33 | 72.2 Ų | 72.2 | 20% | 0.202 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.9 | -28.7 | 175.9 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | E841 Q842 D843 R849 Y1144 | E841-T845 VanDerWaalsContact O-CB 3.26Å; E841-T845 WeakPolarHBondContact O-CB 3.4Å; E841-T845 PolarHBondContact O-N 3.34Å; E841-T845 PolarHBondContact O-OG1 3.24Å; Q842-T845 PolarHBondContact O-N 3.36Å; D843-T845 VanDerWaalsContact C-N 3.32Å; D843-T845 PolarHBondContact O-N 3.46Å; T845-R849 VanDerWaalsContact O-CG 3.29Å; T845-R849 WeakPolarHBondContact O-CG 3.49Å; T845-R849 PolarHBondContact O-NE 2.9Å; T845-Y1144 WeakPolarHBondContact CA-OH 3.49Å; T845-Y1144 HydrophobicContact CG2-CE1 4.13Å; T845-Y1144 PolarHBondContact OG1-OH 2.93Å |
| 846 | S | 85.4 | Confident | 84.7 | Confident | 45 Ų | 45 | 71.3 Ų | 71.3 | 32% | 0.315 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72.8 | -52.9 | 165.7 | -146.1 | 0 | 0 | 0 | 0 | 111.5 | Q842 D843 H844 L848 R849 D850 | Q842-S846 PolarHBondContact O-N 2.97Å; D843-S846 PolarHBondContact O-N 3.47Å; D843-S846 VanDerWaalsContact O-N 3.08Å; H844-S846 VanDerWaalsContact C-N 3.27Å; H844-S846 PolarHBondContact O-N 3.39Å; S846-L848 VanDerWaalsContact C-N 3.31Å; S846-L848 PolarHBondContact O-N 3.1Å; S846-R849 CarbonylContact O-C 3.56Å; S846-R849 WeakPolarHBondContact O-CA 3.43Å; S846-R849 PolarHBondContact O-N 2.82Å; S846-D850 WeakPolarHBondContact O-CB 3.48Å; S846-D850 PolarHBondContact O-N 3.5Å; S846-D850 VanDerWaalsContact O-OD2 3.05Å; S846-D850 PolarHBondContact OG-OD2 3.05Å |
| 847 | R | 82.7 | Confident | 84.5 | Confident | 103 Ų | 103 | 72 Ų | 72 | 39% | 0.389 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -51.8 | -45.8 | -178 | -65.9 | 174.7 | -158.9 | 177.8 | 7.2 | 112.4 | D843 H844 D850 E851 | D843-R847 WeakPolarHBondContact O-CG 3.34Å; D843-R847 PolarHBondContact O-N 3.49Å; D843-R847 IonicContact OD2-CZ 3.46Å; D843-R847 IonicContact OD2-NE 3.42Å; D843-R847 PolarHBondContact OD2-NE 3.15Å; D843-R847 IonicContact OD2-NH2 2.78Å; D843-R847 PolarHBondContact OD2-NH2 2.95Å; H844-R847 PolarHBondContact O-N 3.44Å; H844-R847 VanDerWaalsContact O-N 3.17Å; R847-D850 PolarHBondContact O-N 3.35Å; R847-E851 VanDerWaalsContact O-CB 3.25Å; R847-E851 WeakPolarHBondContact O-CB 3.32Å; R847-E851 PolarHBondContact O-N 3.39Å |
| 848 | L | 82.1 | Confident | 84.4 | Confident | 15 Ų | 15 | 74.6 Ų | 74.6 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 175.7 | -79.9 | 175.2 | 0 | 0 | 0 | 113 | H844 S846 A852 L892 I895 I896 Y1144 | H844-L848 WeakPolarHBondContact CE1-CD1 3.4Å; H844-L848 PolarHBondContact O-N 2.72Å; S846-L848 VanDerWaalsContact C-N 3.31Å; S846-L848 PolarHBondContact O-N 3.1Å; L848-A852 WeakPolarHBondContact O-CB 3.41Å; L848-A852 PolarHBondContact O-N 3.14Å; L848-L892 HydrophobicContact CD2-CB 4.29Å; L848-L892 HydrophobicContact CD2-CD2 3.55Å; L848-I895 HydrophobicContact CD2-CB 3.81Å; L848-I895 HydrophobicContact CD2-CD1 4.5Å; L848-I895 HydrophobicContact CD2-CG2 3.48Å; L848-I895 VanDerWaalsContact CD2-CG2 3.48Å; L848-I895 HydrophobicContact CG-CG2 3.71Å; L848-I896 HydrophobicContact CD1-CG1 4.03Å; L848-I896 HydrophobicContact CD2-CG1 4.35Å; L848-Y1144 HydrophobicContact CD1-CE1 4.42Å; L848-Y1144 WeakPolarHBondContact CD1-OH 3.35Å |
| 849 | R | 85.3 | Confident | 83.8 | Confident | 137 Ų | 137 | 71.6 Ų | 71.6 | 52% | 0.517 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 176.9 | -75.6 | -179.9 | -63.6 | 173.8 | 1.2 | 112 | T845 S846 K853 | T845-R849 VanDerWaalsContact O-CG 3.29Å; T845-R849 WeakPolarHBondContact O-CG 3.49Å; T845-R849 PolarHBondContact O-NE 2.9Å; S846-R849 CarbonylContact O-C 3.56Å; S846-R849 WeakPolarHBondContact O-CA 3.43Å; S846-R849 PolarHBondContact O-N 2.82Å; R849-K853 WeakPolarHBondContact O-CE 3.38Å; R849-K853 WeakPolarHBondContact O-CG 3.33Å; R849-K853 PolarHBondContact O-N 3.49Å; R849-K853 VanDerWaalsContact O-N 3.08Å |
| 850 | D | 86.9 | Confident | 83.4 | Confident | 52 Ų | 52 | 68.7 Ų | 68.7 | 28% | 0.278 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -79.1 | -33.6 | -176.2 | -63 | -42.1 | 0 | 0 | 0 | 111.9 | S846 R847 K853 R854 | S846-D850 WeakPolarHBondContact O-CB 3.48Å; S846-D850 PolarHBondContact O-N 3.5Å; S846-D850 VanDerWaalsContact O-OD2 3.05Å; S846-D850 PolarHBondContact OG-OD2 3.05Å; R847-D850 PolarHBondContact O-N 3.35Å; D850-K853 IonicContact OD1-NZ 2.69Å; D850-K853 PolarHBondContact OD1-NZ 3.02Å; D850-R854 PolarHBondContact O-N 3.48Å |
| 851 | E | 83.5 | Confident | 83.3 | Confident | 52 Ų | 52 | 72.4 Ų | 72.4 | 24% | 0.243 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.9 | -41.9 | 170.2 | -164.5 | 67.2 | -177.8 | 0 | 0 | 112.1 | R847 K853 R854 I855 I895 | R847-E851 VanDerWaalsContact O-CB 3.25Å; R847-E851 WeakPolarHBondContact O-CB 3.32Å; R847-E851 PolarHBondContact O-N 3.39Å; E851-K853 VanDerWaalsContact C-N 3.28Å; E851-K853 PolarHBondContact O-N 3.25Å; E851-R854 PolarHBondContact O-N 3.38Å; E851-R854 VanDerWaalsContact O-N 3.14Å; E851-R854 IonicContact OE2-CZ 3.67Å; E851-R854 IonicContact OE2-NE 2.63Å; E851-R854 PolarHBondContact OE2-NE 2.86Å; E851-R854 IonicContact OE2-NH2 3.97Å; E851-R854 PolarHBondContact OE2-NH2 3.18Å; E851-I855 HydrophobicContact CG-CD1 3.84Å; E851-I855 HydrophobicContact CG-CG1 4.25Å; E851-I855 WeakPolarHBondContact O-CG1 3.37Å; E851-I855 PolarHBondContact O-N 2.84Å; E851-I895 HydrophobicContact CB-CD1 4Å; E851-I895 HydrophobicContact CG-CD1 3.84Å |
| 852 | A | 82 | Confident | 83 | Confident | 35 Ų | 35 | 71.8 Ų | 71.8 | 29% | 0.289 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.7 | -37.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L848 K856 L892 | L848-A852 WeakPolarHBondContact O-CB 3.41Å; L848-A852 PolarHBondContact O-N 3.14Å; A852-K856 WeakPolarHBondContact O-CB 3.45Å; A852-K856 PolarHBondContact O-N 3.46Å; A852-L892 HydrophobicContact CB-CD2 4.38Å |
| 853 | K | 87.3 | Confident | 82.2 | Confident | 128 Ų | 128 | 68 Ų | 68 | 56% | 0.557 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.1 | -47.8 | 171.3 | -71.6 | 165.6 | -153.5 | 165.3 | 0 | 112 | R849 D850 E851 A857 | R849-K853 WeakPolarHBondContact O-CE 3.38Å; R849-K853 WeakPolarHBondContact O-CG 3.33Å; R849-K853 PolarHBondContact O-N 3.49Å; R849-K853 VanDerWaalsContact O-N 3.08Å; D850-K853 IonicContact OD1-NZ 2.69Å; D850-K853 PolarHBondContact OD1-NZ 3.02Å; E851-K853 VanDerWaalsContact C-N 3.28Å; E851-K853 PolarHBondContact O-N 3.25Å; K853-A857 WeakPolarHBondContact O-CB 3.5Å; K853-A857 PolarHBondContact O-N 2.68Å |
| 854 | R | 86.2 | Confident | 81.8 | Confident | 149 Ų | 149 | 67.4 Ų | 67.4 | 56% | 0.562 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59.7 | -56.3 | 179.9 | -84.7 | -165.8 | -72.9 | -108.7 | 1.8 | 111.2 | D850 E851 K856 A857 D858 | D850-R854 PolarHBondContact O-N 3.48Å; E851-R854 PolarHBondContact O-N 3.38Å; E851-R854 VanDerWaalsContact O-N 3.14Å; E851-R854 IonicContact OE2-CZ 3.67Å; E851-R854 IonicContact OE2-NE 2.63Å; E851-R854 PolarHBondContact OE2-NE 2.86Å; E851-R854 IonicContact OE2-NH2 3.97Å; E851-R854 PolarHBondContact OE2-NH2 3.18Å; R854-K856 PolarHBondContact O-N 2.78Å; R854-A857 PolarHBondContact O-N 3.05Å; R854-A857 VanDerWaalsContact O-N 3.16Å; R854-D858 PolarHBondContact O-N 2.95Å; R854-D858 VanDerWaalsContact O-N 3.08Å |
| 855 | I | 80.1 | Confident | 81.2 | Confident | 29 Ų | 29 | 71.8 Ų | 71.8 | 15% | 0.149 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -54.8 | -54.4 | 179.3 | -65.7 | 171.9 | 0 | 0 | 0 | 108.6 | E851 A857 D858 Q859 L888 A891 | E851-I855 HydrophobicContact CG-CD1 3.84Å; E851-I855 HydrophobicContact CG-CG1 4.25Å; E851-I855 WeakPolarHBondContact O-CG1 3.37Å; E851-I855 PolarHBondContact O-N 2.84Å; I855-A857 VanDerWaalsContact C-N 3.31Å; I855-A857 PolarHBondContact O-N 2.94Å; I855-D858 CarbonylContact O-C 3.42Å; I855-D858 WeakPolarHBondContact O-CA 3.47Å; I855-D858 PolarHBondContact O-N 3.22Å; I855-Q859 HydrophobicContact CG2-CG 3.98Å; I855-Q859 WeakPolarHBondContact O-CG 3.43Å; I855-Q859 PolarHBondContact O-N 3Å; I855-L888 HydrophobicContact CB-CD1 4Å; I855-L888 HydrophobicContact CD1-CD1 3.91Å; I855-L888 HydrophobicContact CG2-CB 4.04Å; I855-L888 HydrophobicContact CG2-CD1 3.8Å; I855-L888 HydrophobicContact CG2-CG 4.44Å; I855-A891 HydrophobicContact CD1-CB 3.5Å |
| 856 | K | 82.9 | Confident | 80.6 | Confident | 86 Ų | 86 | 72.3 Ų | 72.3 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -52.2 | -46.3 | 179.2 | -165.8 | -164.7 | 172 | -160.7 | 0 | 112.8 | A852 R854 D858 Q859 D860 | A852-K856 WeakPolarHBondContact O-CB 3.45Å; A852-K856 PolarHBondContact O-N 3.46Å; R854-K856 PolarHBondContact O-N 2.78Å; K856-D858 VanDerWaalsContact C-N 3.29Å; K856-D858 PolarHBondContact O-N 2.98Å; K856-Q859 WeakPolarHBondContact O-CB 3.49Å; K856-Q859 PolarHBondContact O-N 3.42Å; K856-Q859 VanDerWaalsContact O-N 3.08Å; K856-D860 IonicContact NZ-OD2 2.6Å; K856-D860 PolarHBondContact O-N 3.4Å |
| 857 | A | 83.4 | Confident | 79.6 | Confident | 58 Ų | 58 | 74.7 Ų | 74.7 | 48% | 0.479 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63 | -34.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K853 R854 I855 K861 | K853-A857 WeakPolarHBondContact O-CB 3.5Å; K853-A857 PolarHBondContact O-N 2.68Å; R854-A857 PolarHBondContact O-N 3.05Å; R854-A857 VanDerWaalsContact O-N 3.16Å; I855-A857 VanDerWaalsContact C-N 3.31Å; I855-A857 PolarHBondContact O-N 2.94Å; A857-K861 VanDerWaalsContact O-CB 3.22Å; A857-K861 WeakPolarHBondContact O-CB 3.36Å; A857-K861 PolarHBondContact O-N 3.4Å |
| 858 | D | 80.9 | Confident | 78.8 | Confident | 76 Ų | 76 | 75.9 Ų | 75.9 | 41% | 0.406 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -76.6 | -30.4 | 171.1 | -75.5 | -46.9 | 0 | 0 | 0 | 112.5 | R854 I855 K856 K861 E862 | R854-D858 PolarHBondContact O-N 2.95Å; R854-D858 VanDerWaalsContact O-N 3.08Å; I855-D858 CarbonylContact O-C 3.42Å; I855-D858 WeakPolarHBondContact O-CA 3.47Å; I855-D858 PolarHBondContact O-N 3.22Å; K856-D858 VanDerWaalsContact C-N 3.29Å; K856-D858 PolarHBondContact O-N 2.98Å; D858-K861 PolarHBondContact O-N 3.29Å; D858-K861 WeakPolarHBondContact OD1-CD 3.37Å; D858-K861 IonicContact OD1-NZ 3.9Å; D858-K861 PolarHBondContact OD1-NZ 3.47Å; D858-E862 WeakPolarHBondContact O-CG 3.13Å; D858-E862 PolarHBondContact O-N 3.48Å |
| 859 | Q | 76.3 | Confident | 77.8 | Confident | 33 Ų | 33 | 82.3 Ų | 82.3 | 15% | 0.154 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.7 | -49.5 | 170.4 | -42.8 | -165.1 | -59.2 | 0 | 0 | 111.1 | I855 K856 K861 E862 L863 Q884 | I855-Q859 HydrophobicContact CG2-CG 3.98Å; I855-Q859 WeakPolarHBondContact O-CG 3.43Å; I855-Q859 PolarHBondContact O-N 3Å; K856-Q859 WeakPolarHBondContact O-CB 3.49Å; K856-Q859 PolarHBondContact O-N 3.42Å; K856-Q859 VanDerWaalsContact O-N 3.08Å; Q859-K861 PolarHBondContact O-N 3.03Å; Q859-E862 PolarHBondContact O-N 3.21Å; Q859-L863 WeakPolarHBondContact O-CB 3.27Å; Q859-L863 PolarHBondContact O-N 3.19Å; Q859-Q884 VanDerWaalsContact CG-OE1 3.22Å; Q859-Q884 VanDerWaalsContact NE2-C 3.34Å; Q859-Q884 PolarHBondContact NE2-O 2.92Å |
| 860 | D | 80.1 | Confident | 76.6 | Confident | 87 Ų | 87 | 79.3 Ų | 79.3 | 47% | 0.465 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.3 | -35.9 | 178.5 | -72.5 | -31.5 | 0 | 0 | 0 | 111.1 | K856 S864 | K856-D860 IonicContact NZ-OD2 2.6Å; K856-D860 PolarHBondContact O-N 3.4Å; D860-S864 WeakPolarHBondContact O-CB 3.4Å; D860-S864 PolarHBondContact O-N 2.77Å; D860-S864 VanDerWaalsContact O-N 3.09Å |
| 861 | K | 82.2 | Confident | 75 | Confident | 114 Ų | 114 | 85.4 Ų | 85.4 | 50% | 0.496 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -76.9 | -41.7 | 179.9 | 178.9 | -173.8 | 174.3 | -168.4 | 0 | 113.4 | A857 D858 Q859 K865 | A857-K861 VanDerWaalsContact O-CB 3.22Å; A857-K861 WeakPolarHBondContact O-CB 3.36Å; A857-K861 PolarHBondContact O-N 3.4Å; D858-K861 PolarHBondContact O-N 3.29Å; D858-K861 WeakPolarHBondContact OD1-CD 3.37Å; D858-K861 IonicContact OD1-NZ 3.9Å; D858-K861 PolarHBondContact OD1-NZ 3.47Å; Q859-K861 PolarHBondContact O-N 3.03Å; K861-K865 PolarHBondContact O-N 2.86Å |
| 862 | E | 76.1 | Confident | 73.7 | Confident | 68 Ų | 68 | 90.6 Ų | 90.6 | 32% | 0.318 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -72.5 | -36.4 | 173 | -66.4 | -50.5 | 129.4 | 0 | 0 | 111.9 | D858 Q859 S864 K865 F866 F880 | D858-E862 WeakPolarHBondContact O-CG 3.13Å; D858-E862 PolarHBondContact O-N 3.48Å; Q859-E862 PolarHBondContact O-N 3.21Å; E862-S864 VanDerWaalsContact C-N 3.31Å; E862-S864 PolarHBondContact O-N 2.85Å; E862-K865 WeakPolarHBondContact O-CB 3.19Å; E862-K865 PolarHBondContact O-N 3.3Å; E862-K865 IonicContact OE1-NZ 3.56Å; E862-K865 PolarHBondContact OE1-NZ 3.45Å; E862-K865 WeakPolarHBondContact OE2-CD 3.47Å; E862-K865 IonicContact OE2-NZ 3.67Å; E862-K865 PolarHBondContact OE2-NZ 3.43Å; E862-F866 WeakPolarHBondContact O-CB 3.36Å; E862-F866 PolarHBondContact O-N 2.84Å; E862-F880 HydrophobicContact CB-CZ 3.89Å |
| 863 | L | 72.6 | Confident | 72.7 | Confident | 38 Ų | 38 | 96 Ų | 96 | 20% | 0.199 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -57.9 | -45 | 171.8 | -173.8 | 72.4 | 0 | 0 | 0 | 110.9 | Q859 K865 F866 Q867 F880 L881 | Q859-L863 WeakPolarHBondContact O-CB 3.27Å; Q859-L863 PolarHBondContact O-N 3.19Å; L863-K865 PolarHBondContact O-N 3.27Å; L863-F866 PolarHBondContact O-N 3.2Å; L863-Q867 HydrophobicContact CG-CG 4.49Å; L863-Q867 WeakPolarHBondContact O-CB 3.39Å; L863-Q867 WeakPolarHBondContact O-CG 3.34Å; L863-Q867 PolarHBondContact O-N 3.46Å; L863-F880 HydrophobicContact CB-CE1 4.44Å; L863-F880 HydrophobicContact CD1-CD1 4.3Å; L863-F880 HydrophobicContact CD1-CE1 4.2Å; L863-L881 HydrophobicContact CD1-CD2 4.03Å; L863-L881 HydrophobicContact CD1-CG 4.44Å |
| 864 | S | 73.9 | Confident | 71.4 | Confident | 64 Ų | 64 | 98.2 Ų | 98.2 | 45% | 0.448 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 175.2 | -176.2 | 0 | 0 | 0 | 0 | 112.7 | D860 E862 N868 | D860-S864 WeakPolarHBondContact O-CB 3.4Å; D860-S864 PolarHBondContact O-N 2.77Å; D860-S864 VanDerWaalsContact O-N 3.09Å; E862-S864 VanDerWaalsContact C-N 3.31Å; E862-S864 PolarHBondContact O-N 2.85Å; S864-N868 PolarHBondContact O-N 2.73Å; S864-N868 PolarHBondContact O-ND2 3.36Å |
| 865 | K | 72.4 | Confident | 70.4 | Confident | 105 Ų | 105 | 97.9 Ų | 97.9 | 46% | 0.457 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 172.1 | -69.8 | 165.9 | 173.7 | 179.3 | 0 | 112 | K861 E862 L863 N868 M869 | K861-K865 PolarHBondContact O-N 2.86Å; E862-K865 WeakPolarHBondContact O-CB 3.19Å; E862-K865 PolarHBondContact O-N 3.3Å; E862-K865 IonicContact OE1-NZ 3.56Å; E862-K865 PolarHBondContact OE1-NZ 3.45Å; E862-K865 WeakPolarHBondContact OE2-CD 3.47Å; E862-K865 IonicContact OE2-NZ 3.67Å; E862-K865 PolarHBondContact OE2-NZ 3.43Å; L863-K865 PolarHBondContact O-N 3.27Å; K865-N868 PolarHBondContact O-N 3.14Å; K865-M869 PolarHBondContact O-N 2.61Å |
| 866 | F | 69.4 | Low | 69.7 | Low | 45 Ų | 45 | 99.6 Ų | 99.6 | 20% | 0.197 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -63.7 | -47 | -176.9 | -167.4 | -95.4 | 0 | 0 | 0 | 111.8 | E862 L863 N868 M869 L870 E876 E877 F880 | E862-F866 WeakPolarHBondContact O-CB 3.36Å; E862-F866 PolarHBondContact O-N 2.84Å; L863-F866 PolarHBondContact O-N 3.2Å; F866-N868 PolarHBondContact O-N 2.83Å; F866-M869 PolarHBondContact O-N 3.34Å; F866-L870 PolarHBondContact O-N 3.13Å; F866-E876 HydrophobicContact CZ-CB 4.23Å; F866-E877 HydrophobicContact CE1-CB 4.28Å; F866-F880 HydrophobicContact CD2-CD2 4.32Å; F866-F880 HydrophobicContact CD2-CG 4.48Å; F866-F880 HydrophobicContact CE1-CB 4.47Å; F866-F880 HydrophobicContact CE2-CD2 4.45Å; F866-F880 HydrophobicContact CZ-CB 4.32Å |
| 867 | Q | 65.1 | Low | 69 | Low | 95 Ų | 95 | 98.4 Ų | 98.4 | 44% | 0.444 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.9 | -27.5 | 175.9 | -72.6 | -178 | -17.9 | 0 | 0 | 113.2 | L863 E877 | L863-Q867 HydrophobicContact CG-CG 4.49Å; L863-Q867 WeakPolarHBondContact O-CB 3.39Å; L863-Q867 WeakPolarHBondContact O-CG 3.34Å; L863-Q867 PolarHBondContact O-N 3.46Å; Q867-E877 PolarHBondContact NE2-OE1 2.8Å |
| 868 | N | 65.3 | Low | 68.2 | Low | 127 Ų | 127 | 102.3 Ų | 102.3 | 68% | 0.679 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -75.9 | -24.7 | 172.9 | -84.3 | -67.2 | 0 | 0 | 0 | 113.5 | S864 K865 F866 | S864-N868 PolarHBondContact O-N 2.73Å; S864-N868 PolarHBondContact O-ND2 3.36Å; K865-N868 PolarHBondContact O-N 3.14Å; F866-N868 PolarHBondContact O-N 2.83Å |
| 869 | M | 62.5 | Low | 67.8 | Low | 151 Ų | 151 | 103.2 Ų | 103.2 | 74% | 0.744 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -86.7 | -30.9 | -179.4 | -71.5 | -162.8 | -67.8 | 0 | 0 | 114.4 | K865 F866 | K865-M869 PolarHBondContact O-N 2.61Å; F866-M869 PolarHBondContact O-N 3.34Å |
| 870 | L | 59 | Low | 67.9 | Low | 73 Ų | 73 | 103.8 Ų | 103.8 | 38% | 0.382 | 49% | 0.49 | S | S | . | . | trans | -132.2 | 97.3 | -172.6 | -86.6 | 166.9 | 0 | 0 | 0 | 113.9 | F866 R873 | F866-L870 PolarHBondContact O-N 3.13Å; L870-R873 HydrophobicContact CD2-CG 4.41Å | ||
| 871 | K | 54.8 | Low | 67.6 | Low | 180 Ų | 180 | 103.9 Ų | 103.9 | 78% | 0.783 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 122.9 | 164.3 | -66.9 | -179.7 | -179.9 | 176.7 | 0 | 109.7 | ||
| 872 | N | 54.8 | Low | 67.4 | Low | 162 Ų | 162 | 104.1 Ų | 104.1 | 87% | 0.866 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | 36.5 | 172.9 | -49.8 | -21.7 | 0 | 0 | 0 | 118.9 | ||
| 873 | R | 61.3 | Low | 67.6 | Low | 147 Ų | 147 | 106.6 Ų | 106.6 | 56% | 0.555 | 50% | 0.503 | S | S | * | . | trans | -131.2 | 73 | 170.6 | -68.3 | -162.3 | 179.1 | -162.7 | 4.2 | 115.2 | L870 K875 E876 E877 | L870-R873 HydrophobicContact CD2-CG 4.41Å; R873-K875 VanDerWaalsContact C-N 3.3Å; R873-K875 PolarHBondContact O-N 2.88Å; R873-E876 VanDerWaalsContact CD-CD 3.41Å; R873-E876 VanDerWaalsContact CD-OE1 3.27Å; R873-E876 WeakPolarHBondContact CD-OE1 3.2Å; R873-E876 WeakPolarHBondContact CD-OE2 3.29Å; R873-E876 IonicContact CZ-OE1 3.8Å; R873-E876 IonicContact NE-OE1 2.82Å; R873-E876 IonicContact NH1-OE1 2.72Å; R873-E876 PolarHBondContact NH1-OE1 3.14Å; R873-E876 IonicContact NH1-OE2 3.18Å; R873-E876 PolarHBondContact O-N 3.28Å; R873-E877 PolarHBondContact O-N 2.66Å | ||
| 874 | K | 60.5 | Low | 67.8 | Low | 175 Ų | 175 | 106 Ų | 106 | 76% | 0.761 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57 | -29.7 | -177.1 | -70.4 | -168.3 | 172.2 | -168.6 | 0 | 116.4 | Q878 | K874-Q878 PolarHBondContact O-N 2.79Å |
| 875 | K | 64.5 | Low | 68 | Low | 143 Ų | 143 | 107.2 Ų | 107.2 | 62% | 0.622 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.4 | -39.6 | -177.5 | -169.9 | 173.3 | -175.4 | -71.7 | 0 | 112.1 | R873 Q878 E879 | R873-K875 VanDerWaalsContact C-N 3.3Å; R873-K875 PolarHBondContact O-N 2.88Å; K875-Q878 PolarHBondContact O-N 3.26Å; K875-E879 IonicContact NZ-OE1 2.81Å; K875-E879 PolarHBondContact NZ-OE1 3.18Å; K875-E879 WeakPolarHBondContact O-CG 3.48Å; K875-E879 PolarHBondContact O-N 2.93Å |
| 876 | E | 65.1 | Low | 68.5 | Low | 65 Ų | 65 | 108.2 Ų | 108.2 | 30% | 0.304 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -72.4 | -33.6 | 179.3 | -67 | 164.8 | -165.6 | 0 | 0 | 111.3 | F866 R873 F880 | F866-E876 HydrophobicContact CZ-CB 4.23Å; R873-E876 VanDerWaalsContact CD-CD 3.41Å; R873-E876 VanDerWaalsContact CD-OE1 3.27Å; R873-E876 WeakPolarHBondContact CD-OE1 3.2Å; R873-E876 WeakPolarHBondContact CD-OE2 3.29Å; R873-E876 IonicContact CZ-OE1 3.8Å; R873-E876 IonicContact NE-OE1 2.82Å; R873-E876 IonicContact NH1-OE1 2.72Å; R873-E876 PolarHBondContact NH1-OE1 3.14Å; R873-E876 IonicContact NH1-OE2 3.18Å; R873-E876 PolarHBondContact O-N 3.28Å; E876-F880 VanDerWaalsContact O-CB 3.28Å; E876-F880 WeakPolarHBondContact O-CB 3.33Å; E876-F880 PolarHBondContact O-N 3.46Å |
| 877 | E | 68.3 | Low | 69 | Low | 61 Ų | 61 | 110.5 Ų | 110.5 | 29% | 0.285 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 170.1 | -176.1 | 173.1 | -145.7 | 0 | 0 | 111.9 | F866 Q867 R873 L881 | F866-E877 HydrophobicContact CE1-CB 4.28Å; Q867-E877 PolarHBondContact NE2-OE1 2.8Å; R873-E877 PolarHBondContact O-N 2.66Å; E877-L881 HydrophobicContact CG-CD1 4.42Å; E877-L881 WeakPolarHBondContact O-CB 3.42Å; E877-L881 WeakPolarHBondContact O-CG 3.37Å; E877-L881 PolarHBondContact O-N 2.97Å |
| 878 | Q | 67.3 | Low | 69.7 | Low | 140 Ų | 140 | 107.1 Ų | 107.1 | 65% | 0.654 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.8 | -40.2 | 177.7 | -169.6 | 172 | 5.1 | 0 | 0 | 112.6 | K874 K875 L881 Q882 | K874-Q878 PolarHBondContact O-N 2.79Å; K875-Q878 PolarHBondContact O-N 3.26Å; Q878-L881 PolarHBondContact O-N 3.44Å; Q878-Q882 WeakPolarHBondContact O-CB 3.19Å; Q878-Q882 PolarHBondContact O-N 2.9Å |
| 879 | E | 73.4 | Confident | 70.3 | Confident | 94 Ų | 94 | 104.2 Ų | 104.2 | 44% | 0.439 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.1 | -37.2 | 175.3 | -73.8 | 166.7 | -170.1 | 0 | 0 | 112.1 | K875 Q882 K883 | K875-E879 IonicContact NZ-OE1 2.81Å; K875-E879 PolarHBondContact NZ-OE1 3.18Å; K875-E879 WeakPolarHBondContact O-CG 3.48Å; K875-E879 PolarHBondContact O-N 2.93Å; E879-Q882 PolarHBondContact O-N 3.49Å; E879-K883 PolarHBondContact O-N 3.26Å |
| 880 | F | 77.6 | Confident | 71.3 | Confident | 46 Ų | 46 | 98.4 Ų | 98.4 | 20% | 0.202 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -62.5 | -47.7 | 172.4 | 175.8 | -98.9 | 0 | 0 | 0 | 112 | E862 L863 F866 E876 Q882 K883 Q884 | E862-F880 HydrophobicContact CB-CZ 3.89Å; L863-F880 HydrophobicContact CB-CE1 4.44Å; L863-F880 HydrophobicContact CD1-CD1 4.3Å; L863-F880 HydrophobicContact CD1-CE1 4.2Å; F866-F880 HydrophobicContact CD2-CD2 4.32Å; F866-F880 HydrophobicContact CD2-CG 4.48Å; F866-F880 HydrophobicContact CE1-CB 4.47Å; F866-F880 HydrophobicContact CE2-CD2 4.45Å; F866-F880 HydrophobicContact CZ-CB 4.32Å; E876-F880 VanDerWaalsContact O-CB 3.28Å; E876-F880 WeakPolarHBondContact O-CB 3.33Å; E876-F880 PolarHBondContact O-N 3.46Å; F880-Q882 VanDerWaalsContact C-N 3.33Å; F880-Q882 PolarHBondContact O-N 3.44Å; F880-K883 PolarHBondContact O-N 2.92Å; F880-Q884 HydrophobicContact CD1-CG 4.34Å; F880-Q884 HydrophobicContact CE1-CG 3.9Å; F880-Q884 HydrophobicContact CE2-CG 4.31Å; F880-Q884 HydrophobicContact CZ-CG 3.89Å; F880-Q884 WeakPolarHBondContact O-CB 3.45Å; F880-Q884 WeakPolarHBondContact O-CG 3.39Å; F880-Q884 PolarHBondContact O-N 2.99Å |
| 881 | L | 73.4 | Confident | 72.4 | Confident | 88 Ų | 88 | 96.1 Ų | 96.1 | 46% | 0.461 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 176.3 | -75.7 | 168 | 0 | 0 | 0 | 112.3 | L863 E877 Q878 Q884 Q885 | L863-L881 HydrophobicContact CD1-CD2 4.03Å; L863-L881 HydrophobicContact CD1-CG 4.44Å; E877-L881 HydrophobicContact CG-CD1 4.42Å; E877-L881 WeakPolarHBondContact O-CB 3.42Å; E877-L881 WeakPolarHBondContact O-CG 3.37Å; E877-L881 PolarHBondContact O-N 2.97Å; Q878-L881 PolarHBondContact O-N 3.44Å; L881-Q884 PolarHBondContact O-N 2.97Å; L881-Q885 PolarHBondContact O-N 3.44Å |
| 882 | Q | 78.1 | Confident | 73.6 | Confident | 120 Ų | 120 | 89.4 Ų | 89.4 | 56% | 0.561 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.3 | -40.7 | 176.4 | -172 | 173.4 | 11.7 | 0 | 0 | 112.1 | Q878 E879 F880 Q885 Q886 | Q878-Q882 WeakPolarHBondContact O-CB 3.19Å; Q878-Q882 PolarHBondContact O-N 2.9Å; E879-Q882 PolarHBondContact O-N 3.49Å; F880-Q882 VanDerWaalsContact C-N 3.33Å; F880-Q882 PolarHBondContact O-N 3.44Å; Q882-Q885 PolarHBondContact O-N 2.84Å; Q882-Q886 WeakPolarHBondContact O-CG 3.42Å; Q882-Q886 PolarHBondContact O-N 3.42Å |
| 883 | K | 81.3 | Confident | 74.9 | Confident | 119 Ų | 119 | 88.2 Ų | 88.2 | 52% | 0.517 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 175 | -173.4 | 173 | -175.4 | -82.1 | 0 | 112 | E879 F880 Q885 Q886 E887 | E879-K883 PolarHBondContact O-N 3.26Å; F880-K883 PolarHBondContact O-N 2.92Å; K883-Q885 VanDerWaalsContact C-N 3.34Å; K883-Q885 PolarHBondContact O-N 3.45Å; K883-Q886 PolarHBondContact O-N 2.72Å; K883-E887 WeakPolarHBondContact CE-OE1 3.34Å; K883-E887 IonicContact NZ-OE1 2.84Å; K883-E887 PolarHBondContact NZ-OE1 2.84Å; K883-E887 WeakPolarHBondContact O-CG 3.4Å; K883-E887 PolarHBondContact O-N 3.08Å |
| 884 | Q | 76.3 | Confident | 76 | Confident | 25 Ų | 25 | 88.6 Ų | 88.6 | 12% | 0.117 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -57.8 | -43.9 | 173.2 | -83.8 | -71.4 | -2.4 | 0 | 0 | 112 | Q859 F880 L881 E887 L888 | Q859-Q884 VanDerWaalsContact CG-OE1 3.22Å; Q859-Q884 VanDerWaalsContact NE2-C 3.34Å; Q859-Q884 PolarHBondContact NE2-O 2.92Å; F880-Q884 HydrophobicContact CD1-CG 4.34Å; F880-Q884 HydrophobicContact CE1-CG 3.9Å; F880-Q884 HydrophobicContact CE2-CG 4.31Å; F880-Q884 HydrophobicContact CZ-CG 3.89Å; F880-Q884 WeakPolarHBondContact O-CB 3.45Å; F880-Q884 WeakPolarHBondContact O-CG 3.39Å; F880-Q884 PolarHBondContact O-N 2.99Å; L881-Q884 PolarHBondContact O-N 2.97Å; Q884-E887 PolarHBondContact O-N 3.05Å; Q884-L888 PolarHBondContact O-N 3.18Å |
| 885 | Q | 78.4 | Confident | 77.1 | Confident | 90 Ų | 90 | 81.9 Ų | 81.9 | 42% | 0.421 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 174.4 | -173.1 | 64.1 | 50.6 | 0 | 0 | 112 | L881 Q882 K883 E887 L888 D889 | L881-Q885 PolarHBondContact O-N 3.44Å; Q882-Q885 PolarHBondContact O-N 2.84Å; K883-Q885 VanDerWaalsContact C-N 3.34Å; K883-Q885 PolarHBondContact O-N 3.45Å; Q885-E887 VanDerWaalsContact C-N 3.33Å; Q885-E887 PolarHBondContact O-N 3.28Å; Q885-L888 PolarHBondContact O-N 3.04Å; Q885-D889 PolarHBondContact NE2-OD1 2.74Å; Q885-D889 WeakPolarHBondContact O-CB 3.45Å; Q885-D889 PolarHBondContact O-N 3.3Å |
| 886 | Q | 81.4 | Confident | 77.9 | Confident | 126 Ų | 126 | 78.6 Ų | 78.6 | 59% | 0.589 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64 | -35.3 | 176.7 | -74.5 | -179.2 | -22.3 | 0 | 0 | 113.3 | Q882 K883 G890 | Q882-Q886 WeakPolarHBondContact O-CG 3.42Å; Q882-Q886 PolarHBondContact O-N 3.42Å; K883-Q886 PolarHBondContact O-N 2.72Å; Q886-G890 PolarHBondContact O-N 2.82Å |
| 887 | E | 80.7 | Confident | 78.8 | Confident | 94 Ų | 94 | 82.2 Ų | 82.2 | 44% | 0.439 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.1 | -40.5 | 175.7 | -74.3 | 172.4 | -172 | 0 | 0 | 111.6 | K883 Q884 Q885 A891 | K883-E887 WeakPolarHBondContact CE-OE1 3.34Å; K883-E887 IonicContact NZ-OE1 2.84Å; K883-E887 PolarHBondContact NZ-OE1 2.84Å; K883-E887 WeakPolarHBondContact O-CG 3.4Å; K883-E887 PolarHBondContact O-N 3.08Å; Q884-E887 PolarHBondContact O-N 3.05Å; Q885-E887 VanDerWaalsContact C-N 3.33Å; Q885-E887 PolarHBondContact O-N 3.28Å; E887-A891 WeakPolarHBondContact O-CB 3.45Å; E887-A891 PolarHBondContact O-N 3.06Å |
| 888 | L | 79.2 | Confident | 79.6 | Confident | 23 Ų | 23 | 84.3 Ų | 84.3 | 12% | 0.12 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62 | -53.2 | 171 | 175.6 | 61.2 | 0 | 0 | 0 | 111.8 | I855 Q884 Q885 G890 A891 L892 | I855-L888 HydrophobicContact CB-CD1 4Å; I855-L888 HydrophobicContact CD1-CD1 3.91Å; I855-L888 HydrophobicContact CG2-CB 4.04Å; I855-L888 HydrophobicContact CG2-CD1 3.8Å; I855-L888 HydrophobicContact CG2-CG 4.44Å; Q884-L888 PolarHBondContact O-N 3.18Å; Q885-L888 PolarHBondContact O-N 3.04Å; L888-G890 VanDerWaalsContact C-N 3.26Å; L888-G890 PolarHBondContact O-N 2.81Å; L888-A891 PolarHBondContact O-N 3.47Å; L888-A891 VanDerWaalsContact O-N 3.16Å; L888-L892 HydrophobicContact CD1-CD1 3.81Å; L888-L892 HydrophobicContact CD1-CD2 4.48Å; L888-L892 HydrophobicContact CD1-CG 4.02Å; L888-L892 HydrophobicContact CG-CD1 3.95Å; L888-L892 HydrophobicContact CG-CG 4.5Å; L888-L892 VanDerWaalsContact O-CG 3.32Å; L888-L892 WeakPolarHBondContact O-CG 3.46Å; L888-L892 PolarHBondContact O-N 3Å |
| 889 | D | 78.5 | Confident | 80.4 | Confident | 66 Ų | 66 | 78.6 Ų | 78.6 | 35% | 0.353 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.6 | -38.2 | 179.7 | -67.9 | -15.8 | 0 | 0 | 0 | 111.4 | Q885 K893 | Q885-D889 PolarHBondContact NE2-OD1 2.74Å; Q885-D889 WeakPolarHBondContact O-CB 3.45Å; Q885-D889 PolarHBondContact O-N 3.3Å; D889-K893 VanDerWaalsContact O-CB 3.26Å; D889-K893 WeakPolarHBondContact O-CB 3.3Å; D889-K893 WeakPolarHBondContact O-CG 3.41Å; D889-K893 PolarHBondContact O-N 3.02Å |
| 890 | G | 83.7 | Confident | 80.9 | Confident | 29 Ų | 29 | 78.7 Ų | 78.7 | 30% | 0.299 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q886 L888 K894 | Q886-G890 PolarHBondContact O-N 2.82Å; L888-G890 VanDerWaalsContact C-N 3.26Å; L888-G890 PolarHBondContact O-N 2.81Å; G890-K894 WeakPolarHBondContact O-CG 3.38Å; G890-K894 PolarHBondContact O-N 3.4Å; G890-K894 VanDerWaalsContact O-N 3.14Å |
| 891 | A | 81.4 | Confident | 81.3 | Confident | 25 Ų | 25 | 81.9 Ų | 81.9 | 21% | 0.207 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67 | -46.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | I855 E887 L888 K893 K894 I895 | I855-A891 HydrophobicContact CD1-CB 3.5Å; E887-A891 WeakPolarHBondContact O-CB 3.45Å; E887-A891 PolarHBondContact O-N 3.06Å; L888-A891 PolarHBondContact O-N 3.47Å; L888-A891 VanDerWaalsContact O-N 3.16Å; A891-K893 PolarHBondContact O-N 3.08Å; A891-K894 PolarHBondContact O-N 3.13Å; A891-I895 WeakPolarHBondContact O-CG1 3.39Å; A891-I895 PolarHBondContact O-N 3.38Å; A891-I895 VanDerWaalsContact O-N 3.1Å |
| 892 | L | 80.5 | Confident | 81.9 | Confident | 40 Ų | 40 | 80.5 Ų | 80.5 | 21% | 0.209 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 177.5 | -62.5 | 173.2 | 0 | 0 | 0 | 111.4 | L848 A852 L888 K894 I895 I896 | L848-L892 HydrophobicContact CD2-CB 4.29Å; L848-L892 HydrophobicContact CD2-CD2 3.55Å; A852-L892 HydrophobicContact CB-CD2 4.38Å; L888-L892 HydrophobicContact CD1-CD1 3.81Å; L888-L892 HydrophobicContact CD1-CD2 4.48Å; L888-L892 HydrophobicContact CD1-CG 4.02Å; L888-L892 HydrophobicContact CG-CD1 3.95Å; L888-L892 HydrophobicContact CG-CG 4.5Å; L888-L892 VanDerWaalsContact O-CG 3.32Å; L888-L892 WeakPolarHBondContact O-CG 3.46Å; L888-L892 PolarHBondContact O-N 3Å; L892-K894 PolarHBondContact O-N 2.82Å; L892-I895 PolarHBondContact O-N 3Å; L892-I896 VanDerWaalsContact O-CG1 3.28Å; L892-I896 WeakPolarHBondContact O-CG1 3.47Å; L892-I896 PolarHBondContact O-N 3.19Å |
| 893 | K | 83.1 | Confident | 82.2 | Confident | 136 Ų | 136 | 75.9 Ų | 75.9 | 59% | 0.591 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.5 | -45.2 | 174.6 | -80.7 | 176.5 | 178.5 | -174.3 | 0 | 112.5 | D889 A891 I895 I896 Q897 | D889-K893 VanDerWaalsContact O-CB 3.26Å; D889-K893 WeakPolarHBondContact O-CB 3.3Å; D889-K893 WeakPolarHBondContact O-CG 3.41Å; D889-K893 PolarHBondContact O-N 3.02Å; A891-K893 PolarHBondContact O-N 3.08Å; K893-I895 PolarHBondContact O-N 3.21Å; K893-I896 PolarHBondContact O-N 3.39Å; K893-Q897 WeakPolarHBondContact O-CB 3.46Å; K893-Q897 PolarHBondContact O-N 2.94Å |
| 894 | K | 84.1 | Confident | 82.4 | Confident | 155 Ų | 155 | 70.7 Ų | 70.7 | 67% | 0.674 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59 | -46.7 | 176 | -75.8 | 173.9 | -179.9 | -179.9 | 0 | 111.9 | G890 A891 L892 I896 Q897 Q898 | G890-K894 WeakPolarHBondContact O-CG 3.38Å; G890-K894 PolarHBondContact O-N 3.4Å; G890-K894 VanDerWaalsContact O-N 3.14Å; A891-K894 PolarHBondContact O-N 3.13Å; L892-K894 PolarHBondContact O-N 2.82Å; K894-I896 PolarHBondContact O-N 2.96Å; K894-Q897 PolarHBondContact O-N 3.44Å; K894-Q898 PolarHBondContact O-N 3.08Å |
| 895 | I | 82.5 | Confident | 82.9 | Confident | 35 Ų | 35 | 71.7 Ų | 71.7 | 18% | 0.179 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65 | -39.6 | 180 | -67.6 | 167.5 | 0 | 0 | 0 | 110.9 | H844 L848 E851 A891 L892 K893 H899 | H844-I895 WeakPolarHBondContact NE2-CG2 3.27Å; H844-I895 PolarHBondContact NE2-O 3.33Å; L848-I895 HydrophobicContact CD2-CB 3.81Å; L848-I895 HydrophobicContact CD2-CD1 4.5Å; L848-I895 HydrophobicContact CD2-CG2 3.48Å; L848-I895 VanDerWaalsContact CD2-CG2 3.48Å; L848-I895 HydrophobicContact CG-CG2 3.71Å; E851-I895 HydrophobicContact CB-CD1 4Å; E851-I895 HydrophobicContact CG-CD1 3.84Å; A891-I895 WeakPolarHBondContact O-CG1 3.39Å; A891-I895 PolarHBondContact O-N 3.38Å; A891-I895 VanDerWaalsContact O-N 3.1Å; L892-I895 PolarHBondContact O-N 3Å; K893-I895 PolarHBondContact O-N 3.21Å; I895-H899 PolarHBondContact O-N 3.38Å |
| 896 | I | 81.3 | Confident | 83.3 | Confident | 73 Ų | 73 | 69.5 Ų | 69.5 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 173.4 | -68.8 | 163.3 | 0 | 0 | 0 | 111.5 | L848 L892 K893 K894 H899 K900 | L848-I896 HydrophobicContact CD1-CG1 4.03Å; L848-I896 HydrophobicContact CD2-CG1 4.35Å; L892-I896 VanDerWaalsContact O-CG1 3.28Å; L892-I896 WeakPolarHBondContact O-CG1 3.47Å; L892-I896 PolarHBondContact O-N 3.19Å; K893-I896 PolarHBondContact O-N 3.39Å; K894-I896 PolarHBondContact O-N 2.96Å; I896-H899 PolarHBondContact O-N 2.98Å; I896-K900 PolarHBondContact O-N 3.39Å |
| 897 | Q | 83.6 | Confident | 83.6 | Confident | 142 Ų | 142 | 65.9 Ų | 65.9 | 66% | 0.664 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.6 | -38.7 | -178.7 | -169.5 | 173 | 12.7 | 0 | 0 | 112.2 | K893 K894 K900 L901 | K893-Q897 WeakPolarHBondContact O-CB 3.46Å; K893-Q897 PolarHBondContact O-N 2.94Å; K894-Q897 PolarHBondContact O-N 3.44Å; Q897-K900 PolarHBondContact O-N 2.93Å; Q897-L901 PolarHBondContact O-N 2.64Å; Q897-L901 VanDerWaalsContact O-N 3.16Å |
| 898 | Q | 85.1 | Confident | 84 | Confident | 105 Ų | 105 | 66.1 Ų | 66.1 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 172.7 | 177.5 | 172.6 | -10.6 | 0 | 0 | 111.6 | K894 L901 E902 | K894-Q898 PolarHBondContact O-N 3.08Å; Q898-L901 WeakPolarHBondContact O-CB 3.41Å; Q898-L901 PolarHBondContact O-N 3.3Å; Q898-L901 VanDerWaalsContact O-N 3.11Å; Q898-E902 HydrophobicContact CG-CG 4.43Å; Q898-E902 VanDerWaalsContact CG-OE1 3.27Å; Q898-E902 WeakPolarHBondContact CG-OE1 3.12Å; Q898-E902 PolarHBondContact NE2-OE1 3.09Å; Q898-E902 WeakPolarHBondContact O-CG 3.35Å; Q898-E902 PolarHBondContact O-N 3.25Å |
| 899 | H | 84.7 | Confident | 84.4 | Confident | 20 Ų | 20 | 69.2 Ų | 69.2 | 9% | 0.093 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.9 | -36.5 | -179.8 | -179.4 | -141.9 | 0 | 0 | 0 | 113.2 | H844 I895 I896 L901 E902 I903 | H844-H899 WeakPolarHBondContact CD2-CB 3.37Å; H844-H899 AromaticContact CD2-CG 3.57Å; H844-H899 AromaticContact CD2-ND1 3.72Å; H844-H899 AromaticContact CE1-CG 3.86Å; H844-H899 AromaticContact CE1-ND1 3.39Å; H844-H899 PolarHBondContact CE1-ND1 3.42Å; H844-H899 AromaticContact CG-CE1 3.77Å; H844-H899 AromaticContact CG-CG 3.49Å; H844-H899 VanDerWaalsContact CG-CG 3.49Å; H844-H899 AromaticContact CG-ND1 3.21Å; H844-H899 AromaticContact ND1-CE1 3.71Å; H844-H899 AromaticContact ND1-CG 3.73Å; H844-H899 AromaticContact ND1-ND1 3.02Å; H844-H899 PolarHBondContact ND1-ND1 2.96Å; H844-H899 WeakPolarHBondContact NE2-CB 3.46Å; H844-H899 AromaticContact NE2-CG 3.77Å; H844-H899 AromaticContact NE2-ND1 3.78Å; I895-H899 PolarHBondContact O-N 3.38Å; I896-H899 PolarHBondContact O-N 2.98Å; H899-L901 VanDerWaalsContact C-N 3.26Å; H899-L901 PolarHBondContact O-N 3.37Å; H899-E902 PolarHBondContact O-N 2.95Å; H899-I903 WeakPolarHBondContact NE2-CD1 3.24Å; H899-I903 WeakPolarHBondContact O-CG1 3.45Å; H899-I903 PolarHBondContact O-N 3.12Å |
| 900 | K | 83.6 | Confident | 84.9 | Confident | 96 Ų | 96 | 66.7 Ų | 66.7 | 42% | 0.417 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56 | -41.9 | 168.8 | -77 | -175.8 | 175 | -176.8 | 0 | 111.6 | I896 Q897 A904 S1126 | I896-K900 PolarHBondContact O-N 3.39Å; Q897-K900 PolarHBondContact O-N 2.93Å; K900-A904 WeakPolarHBondContact O-CB 3.42Å; K900-A904 PolarHBondContact O-N 3.17Å; K900-S1126 PolarHBondContact NZ-O 2.98Å |
| 901 | L | 85.6 | Confident | 85.2 | Confident | 113 Ų | 113 | 66.6 Ų | 66.6 | 59% | 0.592 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -71.5 | -37.8 | 179 | -175.7 | 64.5 | 0 | 0 | 0 | 112.9 | Q897 Q898 H899 T905 | Q897-L901 PolarHBondContact O-N 2.64Å; Q897-L901 VanDerWaalsContact O-N 3.16Å; Q898-L901 WeakPolarHBondContact O-CB 3.41Å; Q898-L901 PolarHBondContact O-N 3.3Å; Q898-L901 VanDerWaalsContact O-N 3.11Å; H899-L901 VanDerWaalsContact C-N 3.26Å; H899-L901 PolarHBondContact O-N 3.37Å; L901-T905 WeakPolarHBondContact O-CB 3.4Å; L901-T905 PolarHBondContact O-N 2.87Å; L901-T905 PolarHBondContact O-OG1 3.48Å |
| 902 | E | 86.2 | Confident | 85.6 | Confident | 58 Ų | 58 | 68.5 Ų | 68.5 | 27% | 0.271 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.8 | -47.2 | 175.2 | -73.1 | 172.4 | -170.4 | 0 | 0 | 111.1 | Q898 H899 T905 I906 | Q898-E902 HydrophobicContact CG-CG 4.43Å; Q898-E902 VanDerWaalsContact CG-OE1 3.27Å; Q898-E902 WeakPolarHBondContact CG-OE1 3.12Å; Q898-E902 PolarHBondContact NE2-OE1 3.09Å; Q898-E902 WeakPolarHBondContact O-CG 3.35Å; Q898-E902 PolarHBondContact O-N 3.25Å; H899-E902 PolarHBondContact O-N 2.95Å; E902-T905 PolarHBondContact O-N 3.19Å; E902-I906 PolarHBondContact O-N 2.93Å; E902-I906 VanDerWaalsContact O-N 3.14Å |
| 903 | I | 84.5 | Confident | 86.1 | Confident | 23 Ų | 23 | 71.5 Ų | 71.5 | 12% | 0.118 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.8 | -51.4 | 172.9 | -69.5 | 175.1 | 0 | 0 | 0 | 110.8 | I837 E841 H899 T905 I906 E907 F1123 | I837-I903 HydrophobicContact CG2-CD1 4.35Å; I837-I903 HydrophobicContact CG2-CG1 4.41Å; E841-I903 HydrophobicContact CG-CD1 4.39Å; H899-I903 WeakPolarHBondContact NE2-CD1 3.24Å; H899-I903 WeakPolarHBondContact O-CG1 3.45Å; H899-I903 PolarHBondContact O-N 3.12Å; I903-T905 PolarHBondContact O-N 3.28Å; I903-T905 VanDerWaalsContact O-N 3.1Å; I903-I906 PolarHBondContact O-N 2.9Å; I903-E907 HydrophobicContact CG2-CG 4.07Å; I903-E907 PolarHBondContact O-N 2.77Å; I903-F1123 HydrophobicContact CG2-CE1 4.45Å; I903-F1123 HydrophobicContact CG2-CZ 4.3Å |
| 904 | A | 85.6 | Confident | 86.5 | Confident | 11 Ų | 11 | 67.8 Ų | 67.8 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.7 | -27.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K900 R908 F1123 | K900-A904 WeakPolarHBondContact O-CB 3.42Å; K900-A904 PolarHBondContact O-N 3.17Å; A904-R908 WeakPolarHBondContact O-CB 3.42Å; A904-R908 PolarHBondContact O-N 2.99Å; A904-F1123 HydrophobicContact CB-CB 4.49Å; A904-F1123 HydrophobicContact CB-CD1 3.55Å; A904-F1123 HydrophobicContact CB-CD2 3.96Å; A904-F1123 HydrophobicContact CB-CE1 3.65Å; A904-F1123 HydrophobicContact CB-CE2 4.05Å; A904-F1123 HydrophobicContact CB-CG 3.72Å; A904-F1123 HydrophobicContact CB-CZ 3.91Å |
| 905 | T | 87.8 | Confident | 86.9 | Confident | 46 Ų | 46 | 61 Ų | 61 | 28% | 0.282 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -76.4 | -48 | 174.7 | -60 | 0 | 0 | 0 | 0 | 111.2 | L901 E902 I903 E907 R908 D909 | L901-T905 WeakPolarHBondContact O-CB 3.4Å; L901-T905 PolarHBondContact O-N 2.87Å; L901-T905 PolarHBondContact O-OG1 3.48Å; E902-T905 PolarHBondContact O-N 3.19Å; I903-T905 PolarHBondContact O-N 3.28Å; I903-T905 VanDerWaalsContact O-N 3.1Å; T905-E907 VanDerWaalsContact C-N 3.33Å; T905-E907 PolarHBondContact O-N 2.96Å; T905-R908 WeakPolarHBondContact O-CB 3.34Å; T905-R908 PolarHBondContact O-N 3.18Å; T905-R908 VanDerWaalsContact O-N 3.14Å; T905-D909 WeakPolarHBondContact O-CB 3.36Å; T905-D909 PolarHBondContact O-N 2.84Å |
| 906 | I | 87.2 | Confident | 87.4 | Confident | 44 Ų | 44 | 64.7 Ų | 64.7 | 23% | 0.226 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 178.4 | -70.9 | 163.7 | 0 | 0 | 0 | 112.3 | Q833 T836 I837 L840 E902 I903 C910 | Q833-I906 HydrophobicContact CG-CG2 4.43Å; T836-I906 HydrophobicContact CG2-CD1 4.33Å; I837-I906 HydrophobicContact CG1-CG2 4.08Å; L840-I906 HydrophobicContact CD1-CD1 3.18Å; E902-I906 PolarHBondContact O-N 2.93Å; E902-I906 VanDerWaalsContact O-N 3.14Å; I903-I906 PolarHBondContact O-N 2.9Å; I906-C910 VanDerWaalsContact O-CB 3.26Å; I906-C910 WeakPolarHBondContact O-CB 3.45Å; I906-C910 PolarHBondContact O-N 2.9Å |
| 907 | E | 86.6 | Confident | 88 | Confident | 49 Ų | 49 | 62.5 Ų | 62.5 | 23% | 0.229 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69 | -36 | 174.2 | -65.8 | -158.8 | 174.1 | 0 | 0 | 112.9 | I837 I903 T905 L911 Q1119 F1123 | I837-E907 HydrophobicContact CD1-CG 3.85Å; I903-E907 HydrophobicContact CG2-CG 4.07Å; I903-E907 PolarHBondContact O-N 2.77Å; T905-E907 VanDerWaalsContact C-N 3.33Å; T905-E907 PolarHBondContact O-N 2.96Å; E907-L911 VanDerWaalsContact O-CB 3.29Å; E907-L911 WeakPolarHBondContact O-CB 3.36Å; E907-L911 PolarHBondContact O-N 2.92Å; E907-Q1119 PolarHBondContact O-NE2 2.89Å; E907-F1123 HydrophobicContact CB-CE2 4.27Å; E907-F1123 HydrophobicContact CB-CZ 4.42Å; E907-F1123 HydrophobicContact CG-CZ 4.34Å; E907-F1123 WeakPolarHBondContact OE2-CE2 3.46Å; E907-F1123 VanDerWaalsContact OE2-CZ 3.32Å; E907-F1123 WeakPolarHBondContact OE2-CZ 3.42Å |
| 908 | R | 88.4 | Confident | 88.4 | Confident | 100 Ų | 100 | 57.5 Ų | 57.5 | 38% | 0.377 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.6 | -46.5 | 175.1 | -170 | -160.1 | -51.7 | 109.6 | 4.8 | 111.2 | A904 T905 C910 L911 N912 | A904-R908 WeakPolarHBondContact O-CB 3.42Å; A904-R908 PolarHBondContact O-N 2.99Å; T905-R908 WeakPolarHBondContact O-CB 3.34Å; T905-R908 PolarHBondContact O-N 3.18Å; T905-R908 VanDerWaalsContact O-N 3.14Å; R908-C910 VanDerWaalsContact C-N 3.35Å; R908-L911 PolarHBondContact O-N 3.28Å; R908-N912 WeakPolarHBondContact O-CB 3.36Å; R908-N912 PolarHBondContact O-N 3.1Å; R908-N912 PolarHBondContact O-ND2 3.29Å |
| 909 | D | 88 | Confident | 88.8 | Confident | 88 Ų | 88 | 56 Ų | 56 | 47% | 0.471 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.4 | -37.4 | -177.4 | -62.2 | -15 | 0 | 0 | 0 | 110.9 | T905 H913 | T905-D909 WeakPolarHBondContact O-CB 3.36Å; T905-D909 PolarHBondContact O-N 2.84Å; D909-H913 WeakPolarHBondContact O-CB 3.42Å; D909-H913 PolarHBondContact O-N 3.19Å |
| 910 | C | 89.4 | Confident | 89.2 | Confident | 12 Ų | 12 | 57 Ų | 57 | 8% | 0.081 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.7 | -44 | 170.4 | -172.1 | 0 | 0 | 0 | 0 | 112.4 | Q833 I906 R908 N912 H913 K914 | Q833-C910 HydrophobicContact CB-CB 4.22Å; Q833-C910 HydrophobicContact CG-CB 3.8Å; Q833-C910 PolarHBondContact OE1-SG 3Å; I906-C910 VanDerWaalsContact O-CB 3.26Å; I906-C910 WeakPolarHBondContact O-CB 3.45Å; I906-C910 PolarHBondContact O-N 2.9Å; R908-C910 VanDerWaalsContact C-N 3.35Å; C910-N912 VanDerWaalsContact C-N 3.33Å; C910-N912 PolarHBondContact O-N 2.75Å; C910-H913 PolarHBondContact O-N 3.11Å; C910-K914 WeakPolarHBondContact O-CB 3.48Å; C910-K914 PolarHBondContact O-N 2.8Å |
| 911 | L | 89.1 | Confident | 89.6 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 14% | 0.141 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 177.2 | -179.2 | 59.3 | 0 | 0 | 0 | 111.2 | E907 R908 K914 Q915 K1115 L1116 Q1119 | E907-L911 VanDerWaalsContact O-CB 3.29Å; E907-L911 WeakPolarHBondContact O-CB 3.36Å; E907-L911 PolarHBondContact O-N 2.92Å; R908-L911 PolarHBondContact O-N 3.28Å; L911-K914 PolarHBondContact O-N 3.47Å; L911-Q915 WeakPolarHBondContact O-CG 3.3Å; L911-Q915 PolarHBondContact O-N 2.93Å; L911-K1115 HydrophobicContact CD1-CB 4.42Å; L911-K1115 HydrophobicContact CD2-CB 4.48Å; L911-L1116 HydrophobicContact CD2-CD1 4.19Å; L911-Q1119 HydrophobicContact CD2-CB 4.17Å |
| 912 | N | 90 | Very high | 90 | Very high | 66 Ų | 66 | 50.2 Ų | 50.2 | 35% | 0.353 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59 | -47.1 | 173.6 | -77.7 | -31.2 | 0 | 0 | 0 | 111.9 | R908 C910 K914 Q915 Q916 | R908-N912 WeakPolarHBondContact O-CB 3.36Å; R908-N912 PolarHBondContact O-N 3.1Å; R908-N912 PolarHBondContact O-ND2 3.29Å; C910-N912 VanDerWaalsContact C-N 3.33Å; C910-N912 PolarHBondContact O-N 2.75Å; N912-K914 PolarHBondContact O-N 3.21Å; N912-Q915 PolarHBondContact O-N 3.14Å; N912-Q916 PolarHBondContact O-N 3.33Å |
| 913 | H | 91.5 | Very high | 90.3 | Very high | 103 Ų | 103 | 49.2 Ų | 49.2 | 48% | 0.477 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.9 | -37.2 | 178.7 | -159.3 | 85.8 | 0 | 0 | 0 | 112.1 | L829 D909 C910 Q916 L917 | L829-H913 HydrophobicContact CD1-CB 4.37Å; L829-H913 HydrophobicContact CD2-CB 4.14Å; D909-H913 WeakPolarHBondContact O-CB 3.42Å; D909-H913 PolarHBondContact O-N 3.19Å; C910-H913 PolarHBondContact O-N 3.11Å; H913-Q916 WeakPolarHBondContact O-CB 3.43Å; H913-Q916 PolarHBondContact O-N 2.91Å; H913-L917 PolarHBondContact O-N 2.92Å |
| 914 | K | 91.2 | Very high | 90.7 | Very high | 58 Ų | 58 | 49 Ų | 49 | 25% | 0.252 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.3 | -43.5 | 173.4 | -177.7 | 174 | 175.8 | 177.9 | 0 | 111.9 | V826 L829 E830 C910 L911 N912 Q916 L917 L918 | V826-K914 HydrophobicContact CG1-CD 4.17Å; V826-K914 HydrophobicContact CG1-CG 4.15Å; L829-K914 HydrophobicContact CD2-CB 3.81Å; E830-K914 WeakPolarHBondContact OE1-CE 3.42Å; E830-K914 IonicContact OE1-NZ 2.67Å; E830-K914 PolarHBondContact OE1-NZ 3.36Å; C910-K914 WeakPolarHBondContact O-CB 3.48Å; C910-K914 PolarHBondContact O-N 2.8Å; L911-K914 PolarHBondContact O-N 3.47Å; N912-K914 PolarHBondContact O-N 3.21Å; K914-Q916 VanDerWaalsContact C-N 3.29Å; K914-Q916 PolarHBondContact O-N 2.84Å; K914-L917 PolarHBondContact O-N 3.15Å; K914-L918 HydrophobicContact CG-CD1 4.22Å; K914-L918 VanDerWaalsContact O-CG 3.32Å; K914-L918 WeakPolarHBondContact O-CG 3.4Å; K914-L918 PolarHBondContact O-N 2.96Å |
| 915 | Q | 93.3 | Very high | 91 | Very high | 12 Ų | 12 | 49.3 Ų | 49.3 | 6% | 0.056 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -41 | 172.9 | -69.7 | 178.6 | 14.7 | 0 | 0 | 111 | L911 N912 L918 R919 F1112 | L911-Q915 WeakPolarHBondContact O-CG 3.3Å; L911-Q915 PolarHBondContact O-N 2.93Å; N912-Q915 PolarHBondContact O-N 3.14Å; Q915-L918 PolarHBondContact O-N 2.95Å; Q915-R919 WeakPolarHBondContact O-CG 3.36Å; Q915-R919 PolarHBondContact O-N 2.97Å; Q915-F1112 HydrophobicContact CB-CD1 4.39Å; Q915-F1112 HydrophobicContact CB-CD2 4.2Å; Q915-F1112 HydrophobicContact CB-CE2 4.4Å; Q915-F1112 HydrophobicContact CB-CG 4.2Å; Q915-F1112 HydrophobicContact CG-CB 4.01Å; Q915-F1112 HydrophobicContact CG-CD1 3.81Å; Q915-F1112 HydrophobicContact CG-CD2 4.26Å; Q915-F1112 HydrophobicContact CG-CE1 4.35Å; Q915-F1112 HydrophobicContact CG-CG 3.76Å; Q915-F1112 PolarHBondContact NE2-O 2.83Å; Q915-F1112 VanDerWaalsContact NE2-O 3.16Å |
| 916 | Q | 93.6 | Very high | 91.3 | Very high | 113 Ų | 113 | 48.7 Ų | 48.7 | 53% | 0.528 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64 | -41.9 | 178.8 | -157.5 | 69 | -5.1 | 0 | 0 | 112.8 | N912 H913 K914 L918 R919 A920 | N912-Q916 PolarHBondContact O-N 3.33Å; H913-Q916 WeakPolarHBondContact O-CB 3.43Å; H913-Q916 PolarHBondContact O-N 2.91Å; K914-Q916 VanDerWaalsContact C-N 3.29Å; K914-Q916 PolarHBondContact O-N 2.84Å; Q916-L918 VanDerWaalsContact C-N 3.35Å; Q916-R919 PolarHBondContact O-N 3.37Å; Q916-R919 VanDerWaalsContact OE1-NH1 3.14Å; Q916-A920 PolarHBondContact O-N 2.79Å |
| 917 | L | 92.6 | Very high | 91.6 | Very high | 27 Ų | 27 | 52.7 Ų | 52.7 | 14% | 0.141 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 171.9 | -69.1 | 175.8 | 0 | 0 | 0 | 111.9 | E825 V826 L829 H913 K914 A920 R921 | E825-L917 HydrophobicContact CB-CD1 4.35Å; V826-L917 HydrophobicContact CG2-CB 4.02Å; V826-L917 HydrophobicContact CG2-CD1 4.04Å; L829-L917 HydrophobicContact CB-CD1 4.46Å; L829-L917 HydrophobicContact CD2-CD1 4.05Å; H913-L917 PolarHBondContact O-N 2.92Å; K914-L917 PolarHBondContact O-N 3.15Å; L917-A920 PolarHBondContact O-N 3.11Å; L917-R921 WeakPolarHBondContact O-CB 3.4Å; L917-R921 PolarHBondContact O-N 2.78Å |
| 918 | L | 91.6 | Very high | 92 | Very high | 36 Ų | 36 | 51 Ų | 51 | 19% | 0.188 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.5 | -32.7 | 177.7 | -68.2 | 171.4 | 0 | 0 | 0 | 112.8 | V826 K914 Q915 Q916 E922 F1112 | V826-L918 HydrophobicContact CG2-CD2 4.45Å; K914-L918 HydrophobicContact CG-CD1 4.22Å; K914-L918 VanDerWaalsContact O-CG 3.32Å; K914-L918 WeakPolarHBondContact O-CG 3.4Å; K914-L918 PolarHBondContact O-N 2.96Å; Q915-L918 PolarHBondContact O-N 2.95Å; Q916-L918 VanDerWaalsContact C-N 3.35Å; L918-E922 PolarHBondContact O-N 2.87Å; L918-E922 VanDerWaalsContact O-N 3.11Å; L918-F1112 HydrophobicContact CB-CE1 3.94Å; L918-F1112 HydrophobicContact CB-CZ 3.57Å; L918-F1112 HydrophobicContact CD1-CE1 3.88Å; L918-F1112 HydrophobicContact CD1-CZ 4.39Å |
| 919 | R | 93.8 | Very high | 92.2 | Very high | 75 Ų | 75 | 48 Ų | 48 | 28% | 0.283 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63 | -48.4 | 168.4 | -71.1 | -177.7 | -175.2 | 102 | 10.8 | 111.4 | Q915 Q916 R921 E922 A923 E1109 F1112 | Q915-R919 WeakPolarHBondContact O-CG 3.36Å; Q915-R919 PolarHBondContact O-N 2.97Å; Q916-R919 PolarHBondContact O-N 3.37Å; Q916-R919 VanDerWaalsContact OE1-NH1 3.14Å; R919-R921 VanDerWaalsContact C-N 3.31Å; R919-R921 PolarHBondContact O-N 3.33Å; R919-E922 PolarHBondContact O-N 3.41Å; R919-A923 WeakPolarHBondContact O-CB 3.46Å; R919-A923 PolarHBondContact O-N 3.13Å; R919-E1109 IonicContact CZ-OE1 2.65Å; R919-E1109 IonicContact CZ-OE2 2.78Å; R919-E1109 IonicContact NE-OE1 3.33Å; R919-E1109 PolarHBondContact NE-OE1 3.35Å; R919-E1109 IonicContact NE-OE2 3.56Å; R919-E1109 PolarHBondContact NE-OE2 3Å; R919-E1109 IonicContact NH2-OE1 3.68Å; R919-E1109 IonicContact NH2-OE2 3.72Å; R919-E1109 PolarHBondContact NH2-OE2 3.05Å; R919-F1112 HydrophobicContact CG-CD2 4.49Å; R919-F1112 HydrophobicContact CG-CE2 3.66Å; R919-F1112 HydrophobicContact CG-CZ 4.48Å |
| 920 | A | 93.1 | Very high | 92.5 | Very high | 39 Ų | 39 | 46.2 Ų | 46.2 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.3 | -40.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y822 Q916 L917 A923 A924 | Y822-A920 HydrophobicContact CE1-CB 3.97Å; Q916-A920 PolarHBondContact O-N 2.79Å; L917-A920 PolarHBondContact O-N 3.11Å; A920-A923 PolarHBondContact O-N 2.65Å; A920-A924 VanDerWaalsContact O-CB 3.31Å; A920-A924 WeakPolarHBondContact O-CB 3.38Å; A920-A924 PolarHBondContact O-N 3.38Å |
| 921 | R | 93.5 | Very high | 92.7 | Very high | 40 Ų | 40 | 51.4 Ų | 51.4 | 15% | 0.151 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.5 | -52 | 174.8 | -178.4 | -176.8 | -175.9 | -88.5 | 20.3 | 112.9 | Y822 D823 L917 R919 A924 M925 | Y822-R921 HydrophobicContact CD1-CB 4.05Å; Y822-R921 HydrophobicContact CD2-CB 3.75Å; Y822-R921 HydrophobicContact CD2-CG 3.79Å; Y822-R921 HydrophobicContact CE2-CB 4.32Å; Y822-R921 HydrophobicContact CG-CB 3.6Å; Y822-R921 HydrophobicContact CG-CG 3.83Å; D823-R921 IonicContact OD1-CZ 3.85Å; D823-R921 IonicContact OD1-NE 2.72Å; D823-R921 PolarHBondContact OD1-NE 3.5Å; D823-R921 IonicContact OD1-NH2 3.18Å; D823-R921 PolarHBondContact OD1-NH2 3.34Å; D823-R921 IonicContact OD2-NH2 3.15Å; D823-R921 PolarHBondContact OD2-NH2 2.68Å; L917-R921 WeakPolarHBondContact O-CB 3.4Å; L917-R921 PolarHBondContact O-N 2.78Å; R919-R921 VanDerWaalsContact C-N 3.31Å; R919-R921 PolarHBondContact O-N 3.33Å; R921-A924 PolarHBondContact O-N 3.46Å; R921-M925 WeakPolarHBondContact O-CG 3.43Å; R921-M925 PolarHBondContact O-N 2.61Å |
| 922 | E | 92.5 | Very high | 93 | Very high | 28 Ų | 28 | 51.1 Ų | 51.1 | 13% | 0.131 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.2 | -36 | 180 | -69.9 | -62.2 | 119.8 | 0 | 0 | 111.8 | L918 R919 M925 W926 R1104 L1108 | L918-E922 PolarHBondContact O-N 2.87Å; L918-E922 VanDerWaalsContact O-N 3.11Å; R919-E922 PolarHBondContact O-N 3.41Å; E922-M925 PolarHBondContact O-N 3.07Å; E922-W926 HydrophobicContact CB-CH2 4.46Å; E922-W926 HydrophobicContact CB-CZ2 3.94Å; E922-W926 VanDerWaalsContact O-CD1 3.31Å; E922-W926 VanDerWaalsContact O-CD2 3.3Å; E922-W926 PolarHBondContact O-N 2.99Å; E922-R1104 IonicContact OE2-CZ 2.64Å; E922-R1104 VanDerWaalsContact OE2-CZ 3.25Å; E922-R1104 IonicContact OE2-NE 3.05Å; E922-R1104 PolarHBondContact OE2-NE 3.06Å; E922-R1104 IonicContact OE2-NH2 3.78Å; E922-R1104 PolarHBondContact OE2-NH2 2.92Å; E922-L1108 HydrophobicContact CB-CD2 4.12Å; E922-L1108 HydrophobicContact CG-CD1 4.35Å; E922-L1108 HydrophobicContact CG-CD2 3.91Å |
| 923 | A | 92.2 | Very high | 93.2 | Very high | 36 Ų | 36 | 49.3 Ų | 49.3 | 30% | 0.298 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.9 | -48 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R919 A920 M925 W926 E927 | R919-A923 WeakPolarHBondContact O-CB 3.46Å; R919-A923 PolarHBondContact O-N 3.13Å; A920-A923 PolarHBondContact O-N 2.65Å; A923-M925 VanDerWaalsContact C-N 3.26Å; A923-M925 PolarHBondContact O-N 3.14Å; A923-W926 PolarHBondContact O-N 3.38Å; A923-W926 VanDerWaalsContact O-N 3.07Å; A923-E927 PolarHBondContact O-N 3.07Å |
| 924 | A | 93.6 | Very high | 93.4 | Very high | 18 Ų | 18 | 49 Ų | 49 | 15% | 0.149 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.2 | -30.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y822 A920 R921 L928 | Y822-A924 HydrophobicContact CE2-CB 3.85Å; A920-A924 VanDerWaalsContact O-CB 3.31Å; A920-A924 WeakPolarHBondContact O-CB 3.38Å; A920-A924 PolarHBondContact O-N 3.38Å; R921-A924 PolarHBondContact O-N 3.46Å; A924-L928 WeakPolarHBondContact O-CB 3.5Å; A924-L928 PolarHBondContact O-N 3.08Å |
| 925 | M | 92.8 | Very high | 93.5 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 9% | 0.089 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.5 | -40.3 | 170.8 | -73.8 | -52.7 | -42.7 | 0 | 0 | 112.2 | T815 R921 E922 A923 L928 E929 | T815-M925 HydrophobicContact CG2-CE 3.77Å; R921-M925 WeakPolarHBondContact O-CG 3.43Å; R921-M925 PolarHBondContact O-N 2.61Å; E922-M925 PolarHBondContact O-N 3.07Å; A923-M925 VanDerWaalsContact C-N 3.26Å; A923-M925 PolarHBondContact O-N 3.14Å; M925-L928 HydrophobicContact CE-CD2 4.12Å; M925-L928 PolarHBondContact O-N 2.72Å; M925-E929 VanDerWaalsContact O-CG 3.3Å; M925-E929 WeakPolarHBondContact O-CG 3.42Å; M925-E929 PolarHBondContact O-N 2.82Å |
| 926 | W | 93.1 | Very high | 93.6 | Very high | 33 Ų | 33 | 50.3 Ų | 50.3 | 13% | 0.125 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.1 | -40.5 | 176.7 | -56.9 | -23.6 | 0 | 0 | 0 | 112.1 | E922 A923 L928 E929 E930 W1097 L1101 R1104 K1105 | E922-W926 HydrophobicContact CB-CH2 4.46Å; E922-W926 HydrophobicContact CB-CZ2 3.94Å; E922-W926 VanDerWaalsContact O-CD1 3.31Å; E922-W926 VanDerWaalsContact O-CD2 3.3Å; E922-W926 PolarHBondContact O-N 2.99Å; A923-W926 PolarHBondContact O-N 3.38Å; A923-W926 VanDerWaalsContact O-N 3.07Å; W926-L928 VanDerWaalsContact C-N 3.27Å; W926-L928 PolarHBondContact O-N 3.33Å; W926-E929 PolarHBondContact O-N 3.12Å; W926-E930 WeakPolarHBondContact O-CB 3.41Å; W926-E930 PolarHBondContact O-N 2.95Å; W926-W1097 HydrophobicContact CB-CZ2 4.14Å; W926-W1097 WeakPolarHBondContact O-CZ2 3.47Å; W926-L1101 HydrophobicContact CB-CD1 4.12Å; W926-L1101 HydrophobicContact CB-CD2 4.48Å; W926-L1101 HydrophobicContact CD2-CD1 4.09Å; W926-L1101 HydrophobicContact CD2-CD2 3.92Å; W926-L1101 HydrophobicContact CD2-CG 4Å; W926-L1101 HydrophobicContact CE3-CD2 3.91Å; W926-L1101 HydrophobicContact CE3-CG 4.43Å; W926-L1101 HydrophobicContact CG-CD1 3.69Å; W926-L1101 HydrophobicContact CG-CD2 4.17Å; W926-L1101 HydrophobicContact CG-CG 4.14Å; W926-R1104 HydrophobicContact CZ2-CG 4.37Å; W926-R1104 VanDerWaalsContact NE1-CZ 3.31Å; W926-R1104 VanDerWaalsContact NE1-NE 3.19Å; W926-K1105 HydrophobicContact CH2-CB 3.69Å; W926-K1105 HydrophobicContact CH2-CD 4.06Å; W926-K1105 HydrophobicContact CH2-CG 3.87Å; W926-K1105 HydrophobicContact CZ2-CB 4.2Å; W926-K1105 HydrophobicContact CZ3-CD 4.19Å; W926-K1105 HydrophobicContact CZ3-CG 4.49Å |
| 927 | E | 93.6 | Very high | 93.7 | Very high | 129 Ų | 129 | 46 Ų | 46 | 60% | 0.603 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -60.6 | -37.2 | 173 | -71.5 | 173.8 | -166.8 | 0 | 0 | 112.2 | A923 R931 | A923-E927 PolarHBondContact O-N 3.07Å; E927-R931 WeakPolarHBondContact O-CB 3.43Å; E927-R931 PolarHBondContact O-N 3.16Å |
| 928 | L | 94.3 | Very high | 93.8 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.7 | -42.2 | 176.3 | -160.6 | 81.4 | 0 | 0 | 0 | 112 | F811 E814 T815 A924 M925 W926 H932 | F811-L928 HydrophobicContact CD2-CD2 4.05Å; F811-L928 HydrophobicContact CD2-CG 4.11Å; F811-L928 HydrophobicContact CE2-CD2 3.81Å; F811-L928 HydrophobicContact CE2-CG 3.87Å; E814-L928 HydrophobicContact CB-CD1 4.03Å; E814-L928 HydrophobicContact CB-CD2 4.2Å; T815-L928 VanDerWaalsContact OG1-CD2 3.27Å; T815-L928 WeakPolarHBondContact OG1-CD2 3.46Å; A924-L928 WeakPolarHBondContact O-CB 3.5Å; A924-L928 PolarHBondContact O-N 3.08Å; M925-L928 HydrophobicContact CE-CD2 4.12Å; M925-L928 PolarHBondContact O-N 2.72Å; W926-L928 VanDerWaalsContact C-N 3.27Å; W926-L928 PolarHBondContact O-N 3.33Å; L928-H932 VanDerWaalsContact O-CB 3.32Å; L928-H932 WeakPolarHBondContact O-CB 3.44Å; L928-H932 PolarHBondContact O-N 3.03Å |
| 929 | E | 94.3 | Very high | 94 | Very high | 38 Ų | 38 | 50 Ų | 50 | 18% | 0.178 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61 | -44.2 | 174 | -72.6 | 166.7 | -151.6 | 0 | 0 | 111.2 | F811 M925 W926 H932 L933 W1097 R1104 | F811-E929 HydrophobicContact CZ-CG 4.49Å; M925-E929 VanDerWaalsContact O-CG 3.3Å; M925-E929 WeakPolarHBondContact O-CG 3.42Å; M925-E929 PolarHBondContact O-N 2.82Å; W926-E929 PolarHBondContact O-N 3.12Å; E929-H932 PolarHBondContact O-N 2.77Å; E929-L933 WeakPolarHBondContact O-CG 3.35Å; E929-L933 PolarHBondContact O-N 2.96Å; E929-W1097 HydrophobicContact CB-CZ2 4.1Å; E929-W1097 PolarHBondContact OE2-NE1 2.93Å; E929-R1104 IonicContact OE1-CZ 3.77Å; E929-R1104 IonicContact OE1-NH1 2.61Å; E929-R1104 PolarHBondContact OE1-NH1 2.92Å; E929-R1104 IonicContact OE1-NH2 2.73Å; E929-R1104 PolarHBondContact OE1-NH2 3.37Å; E929-R1104 IonicContact OE2-NH1 3.2Å; E929-R1104 PolarHBondContact OE2-NH1 3.32Å |
| 930 | E | 94.1 | Very high | 94 | Very high | 49 Ų | 49 | 49.4 Ų | 49.4 | 23% | 0.229 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65 | -46.2 | 178.2 | -166.9 | 161 | -171.1 | 0 | 0 | 112 | W926 H932 L933 Q934 W1097 R1098 | W926-E930 WeakPolarHBondContact O-CB 3.41Å; W926-E930 PolarHBondContact O-N 2.95Å; E930-H932 VanDerWaalsContact C-N 3.33Å; E930-H932 PolarHBondContact O-N 3.39Å; E930-L933 PolarHBondContact O-N 3.35Å; E930-Q934 WeakPolarHBondContact O-CG 3.43Å; E930-Q934 PolarHBondContact O-N 3.33Å; E930-Q934 VanDerWaalsContact O-N 3.14Å; E930-W1097 HydrophobicContact CB-CH2 3.55Å; E930-W1097 HydrophobicContact CB-CZ2 4.07Å; E930-W1097 HydrophobicContact CB-CZ3 3.96Å; E930-W1097 HydrophobicContact CG-CH2 3.96Å; E930-W1097 HydrophobicContact CG-CZ3 3.88Å; E930-W1097 WeakPolarHBondContact OE2-CH2 3.49Å; E930-R1098 IonicContact OE1-CZ 3.19Å; E930-R1098 IonicContact OE1-NH1 3.62Å; E930-R1098 PolarHBondContact OE1-NH1 2.81Å; E930-R1098 IonicContact OE1-NH2 3.09Å; E930-R1098 PolarHBondContact OE1-NH2 3.24Å; E930-R1098 IonicContact OE2-NH1 3.63Å |
| 931 | R | 94.1 | Very high | 94.1 | Very high | 122 Ų | 122 | 49.8 Ų | 49.8 | 46% | 0.46 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.9 | -43.2 | 174 | -179.2 | -180 | -65.4 | 136.8 | 5.4 | 111.3 | E927 L933 Q934 E935 | E927-R931 WeakPolarHBondContact O-CB 3.43Å; E927-R931 PolarHBondContact O-N 3.16Å; R931-L933 PolarHBondContact O-N 3.35Å; R931-Q934 PolarHBondContact O-N 3.09Å; R931-E935 WeakPolarHBondContact CD-OE1 2.88Å; R931-E935 HydrophobicContact CG-CG 4.16Å; R931-E935 WeakPolarHBondContact CG-OE1 3.4Å; R931-E935 WeakPolarHBondContact O-CG 3.44Å; R931-E935 PolarHBondContact O-N 2.61Å |
| 932 | H | 94.4 | Very high | 94.2 | Very high | 21 Ų | 21 | 51.8 Ų | 51.8 | 10% | 0.097 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.4 | -37.5 | -179.3 | -179.2 | 53.7 | 0 | 0 | 0 | 112.4 | Y808 F811 L928 E929 E930 Q934 E935 K936 | Y808-H932 AromaticContact CD1-NE2 3.95Å; Y808-H932 AromaticContact CE1-NE2 3.65Å; F811-H932 AromaticContact CD1-CD2 3.65Å; F811-H932 AromaticContact CD1-CG 4Å; F811-H932 AromaticContact CD1-NE2 3.76Å; F811-H932 HydrophobicContact CD2-CB 3.45Å; F811-H932 VanDerWaalsContact CD2-CB 3.45Å; F811-H932 AromaticContact CD2-CD2 3.91Å; F811-H932 AromaticContact CD2-CG 3.48Å; F811-H932 VanDerWaalsContact CD2-CG 3.48Å; F811-H932 AromaticContact CD2-ND1 3.96Å; F811-H932 AromaticContact CE1-CD2 3.76Å; F811-H932 HydrophobicContact CE2-CB 3.55Å; F811-H932 AromaticContact CE2-CG 3.83Å; F811-H932 HydrophobicContact CG-CB 4.08Å; F811-H932 AromaticContact CG-CD2 3.72Å; F811-H932 AromaticContact CG-CE1 3.94Å; F811-H932 AromaticContact CG-CG 3.56Å; F811-H932 AromaticContact CG-ND1 3.7Å; F811-H932 AromaticContact CG-NE2 3.97Å; F811-H932 HydrophobicContact CZ-CB 4.27Å; F811-H932 AromaticContact CZ-CD2 3.94Å; L928-H932 VanDerWaalsContact O-CB 3.32Å; L928-H932 WeakPolarHBondContact O-CB 3.44Å; L928-H932 PolarHBondContact O-N 3.03Å; E929-H932 PolarHBondContact O-N 2.77Å; E930-H932 VanDerWaalsContact C-N 3.33Å; E930-H932 PolarHBondContact O-N 3.39Å; H932-Q934 VanDerWaalsContact C-N 3.34Å; H932-E935 PolarHBondContact O-N 2.87Å; H932-K936 WeakPolarHBondContact O-CB 3.47Å; H932-K936 PolarHBondContact O-N 2.93Å |
| 933 | L | 94.6 | Very high | 94.3 | Very high | 27 Ų | 27 | 51.2 Ų | 51.2 | 14% | 0.141 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -40.8 | 172.4 | -74 | 169.1 | 0 | 0 | 0 | 112 | E929 E930 R931 H937 H1090 W1097 | E929-L933 WeakPolarHBondContact O-CG 3.35Å; E929-L933 PolarHBondContact O-N 2.96Å; E930-L933 PolarHBondContact O-N 3.35Å; R931-L933 PolarHBondContact O-N 3.35Å; L933-H937 WeakPolarHBondContact O-CB 3.21Å; L933-H937 PolarHBondContact O-N 3.06Å; L933-H1090 PolarHBondContact O-CE1 3.16Å; L933-H1090 VanDerWaalsContact O-CE1 3.28Å; L933-W1097 HydrophobicContact CD1-CB 3.9Å; L933-W1097 HydrophobicContact CD1-CD2 3.99Å; L933-W1097 HydrophobicContact CD1-CE3 4.43Å; L933-W1097 HydrophobicContact CD1-CG 3.71Å |
| 934 | Q | 94.6 | Very high | 94.5 | Very high | 96 Ų | 96 | 51.1 Ų | 51.1 | 45% | 0.449 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68 | -46 | 176 | -67.7 | 170.3 | 2 | 0 | 0 | 112.2 | E930 R931 H932 K936 H937 Q938 | E930-Q934 WeakPolarHBondContact O-CG 3.43Å; E930-Q934 PolarHBondContact O-N 3.33Å; E930-Q934 VanDerWaalsContact O-N 3.14Å; R931-Q934 PolarHBondContact O-N 3.09Å; H932-Q934 VanDerWaalsContact C-N 3.34Å; Q934-K936 VanDerWaalsContact C-N 3.35Å; Q934-K936 PolarHBondContact O-N 2.73Å; Q934-H937 PolarHBondContact O-N 3.45Å; Q934-Q938 WeakPolarHBondContact O-CB 3.33Å; Q934-Q938 PolarHBondContact O-N 3.13Å |
| 935 | E | 94.4 | Very high | 94.6 | Very high | 49 Ų | 49 | 54.7 Ų | 54.7 | 23% | 0.229 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 175.8 | -73.4 | -177.9 | -170.1 | 0 | 0 | 111.7 | R810 R931 H932 L939 | R810-E935 IonicContact CZ-OE1 2.72Å; R810-E935 IonicContact CZ-OE2 3.55Å; R810-E935 IonicContact NH1-OE1 3.46Å; R810-E935 PolarHBondContact NH1-OE1 3.41Å; R810-E935 IonicContact NH1-OE2 3.78Å; R810-E935 PolarHBondContact NH1-OE2 3.47Å; R810-E935 IonicContact NH2-OE1 3.79Å; R810-E935 PolarHBondContact NH2-OE1 3.3Å; R931-E935 WeakPolarHBondContact CD-OE1 2.88Å; R931-E935 HydrophobicContact CG-CG 4.16Å; R931-E935 WeakPolarHBondContact CG-OE1 3.4Å; R931-E935 WeakPolarHBondContact O-CG 3.44Å; R931-E935 PolarHBondContact O-N 2.61Å; H932-E935 PolarHBondContact O-N 2.87Å; E935-L939 WeakPolarHBondContact O-CB 3.42Å; E935-L939 PolarHBondContact O-N 3.32Å |
| 936 | K | 94.6 | Very high | 94.7 | Very high | 49 Ų | 49 | 55.1 Ų | 55.1 | 21% | 0.213 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59 | -49.9 | 173.2 | 173.8 | -162.5 | 165.3 | -163.9 | 0 | 111.2 | H932 Q934 L939 L940 E1093 | H932-K936 WeakPolarHBondContact O-CB 3.47Å; H932-K936 PolarHBondContact O-N 2.93Å; Q934-K936 VanDerWaalsContact C-N 3.35Å; Q934-K936 PolarHBondContact O-N 2.73Å; K936-L939 PolarHBondContact O-N 2.7Å; K936-L940 HydrophobicContact CG-CD1 4.04Å; K936-L940 WeakPolarHBondContact O-CG 3.42Å; K936-L940 PolarHBondContact O-N 2.83Å; K936-E1093 IonicContact NZ-OE1 2.68Å; K936-E1093 PolarHBondContact NZ-OE1 3.37Å; K936-E1093 IonicContact NZ-OE2 3.52Å; K936-E1093 PolarHBondContact NZ-OE2 3.09Å |
| 937 | H | 95.8 | Very high | 94.7 | Very high | 23 Ų | 23 | 57.2 Ų | 57.2 | 11% | 0.106 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.9 | -47.6 | -179.8 | 169.4 | 71.5 | 0 | 0 | 0 | 112 | L933 Q934 L939 L940 K941 D1087 H1090 | L933-H937 WeakPolarHBondContact O-CB 3.21Å; L933-H937 PolarHBondContact O-N 3.06Å; Q934-H937 PolarHBondContact O-N 3.45Å; H937-L939 VanDerWaalsContact C-N 3.28Å; H937-L939 PolarHBondContact O-N 3.08Å; H937-L940 PolarHBondContact O-N 2.92Å; H937-L940 VanDerWaalsContact O-N 3.15Å; H937-K941 WeakPolarHBondContact O-CB 3.23Å; H937-K941 PolarHBondContact O-N 2.86Å; H937-D1087 IonicContact CE1-OD1 2.7Å; H937-D1087 PolarHBondContact CE1-OD1 3.22Å; H937-D1087 IonicContact NE2-OD1 2.8Å; H937-D1087 PolarHBondContact NE2-OD1 3.12Å; H937-H1090 HydrophobicContact CB-CB 4.19Å; H937-H1090 WeakPolarHBondContact CB-ND1 3.46Å; H937-H1090 AromaticContact CD2-CD2 3.34Å; H937-H1090 PolarHBondContact CD2-CD2 3.46Å; H937-H1090 AromaticContact CD2-CG 3.95Å; H937-H1090 AromaticContact CD2-NE2 3.79Å; H937-H1090 AromaticContact CE1-CD2 3.99Å; H937-H1090 AromaticContact CG-CD2 3.22Å; H937-H1090 AromaticContact CG-CG 3.36Å; H937-H1090 AromaticContact CG-ND1 3.9Å; H937-H1090 AromaticContact CG-NE2 3.7Å; H937-H1090 VanDerWaalsContact ND1-CB 3.3Å; H937-H1090 WeakPolarHBondContact ND1-CB 3.37Å; H937-H1090 AromaticContact ND1-CD2 3.67Å; H937-H1090 AromaticContact ND1-CG 3.5Å; H937-H1090 AromaticContact NE2-CD2 3.85Å |
| 938 | Q | 96 | Very high | 94.8 | Very high | 119 Ų | 119 | 51.7 Ų | 51.7 | 56% | 0.556 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -62.1 | -37 | 178.2 | -175.7 | 61.1 | 21.9 | 0 | 0 | 111.7 | Q934 Q942 | Q934-Q938 WeakPolarHBondContact O-CB 3.33Å; Q934-Q938 PolarHBondContact O-N 3.13Å; Q938-Q942 PolarHBondContact O-N 3.41Å; Q938-Q942 VanDerWaalsContact O-N 3.14Å |
| 939 | L | 94.1 | Very high | 94.8 | Very high | 28 Ų | 28 | 57.7 Ų | 57.7 | 15% | 0.147 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.1 | -58 | 169.7 | 176.7 | 61.8 | 0 | 0 | 0 | 110.4 | Q803 R804 I807 E935 K936 H937 K941 Q942 Q943 | Q803-L939 HydrophobicContact CB-CD1 4.03Å; Q803-L939 HydrophobicContact CB-CD2 4.35Å; R804-L939 HydrophobicContact CB-CD2 4.44Å; I807-L939 HydrophobicContact CD1-CB 3.99Å; I807-L939 HydrophobicContact CD1-CD2 3.69Å; I807-L939 HydrophobicContact CD1-CG 4.3Å; I807-L939 HydrophobicContact CG1-CD2 4.34Å; E935-L939 WeakPolarHBondContact O-CB 3.42Å; E935-L939 PolarHBondContact O-N 3.32Å; K936-L939 PolarHBondContact O-N 2.7Å; H937-L939 VanDerWaalsContact C-N 3.28Å; H937-L939 PolarHBondContact O-N 3.08Å; L939-K941 PolarHBondContact O-N 2.9Å; L939-Q942 CarbonylContact O-C 3.54Å; L939-Q942 WeakPolarHBondContact O-CA 3.46Å; L939-Q942 WeakPolarHBondContact O-CB 3.41Å; L939-Q942 PolarHBondContact O-N 3.42Å; L939-Q943 HydrophobicContact CD1-CG 3.85Å; L939-Q943 HydrophobicContact CG-CG 3.88Å; L939-Q943 WeakPolarHBondContact O-CG 3.28Å; L939-Q943 PolarHBondContact O-N 3.38Å |
| 940 | L | 94.1 | Very high | 94.8 | Very high | 62 Ų | 62 | 57 Ų | 57 | 33% | 0.325 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -54.5 | -39.6 | -178.1 | -72.3 | 171.2 | 0 | 0 | 0 | 112.4 | K936 H937 Q942 Q943 L944 L1086 | K936-L940 HydrophobicContact CG-CD1 4.04Å; K936-L940 WeakPolarHBondContact O-CG 3.42Å; K936-L940 PolarHBondContact O-N 2.83Å; H937-L940 PolarHBondContact O-N 2.92Å; H937-L940 VanDerWaalsContact O-N 3.15Å; L940-Q942 VanDerWaalsContact C-N 3.34Å; L940-Q942 PolarHBondContact O-N 3.46Å; L940-Q943 PolarHBondContact O-N 3.42Å; L940-L944 WeakPolarHBondContact O-CB 3.42Å; L940-L944 PolarHBondContact O-N 3.27Å; L940-L1086 HydrophobicContact CB-CD1 4.18Å; L940-L1086 HydrophobicContact CB-CD2 4.04Å; L940-L1086 HydrophobicContact CD1-CD1 4.38Å |
| 941 | K | 96.4 | Very high | 94.7 | Very high | 47 Ų | 47 | 58.3 Ų | 58.3 | 20% | 0.204 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 176.9 | -160.6 | 168.9 | -166.7 | 160.6 | 0 | 112 | H937 L939 K945 L1083 L1086 D1087 | H937-K941 WeakPolarHBondContact O-CB 3.23Å; H937-K941 PolarHBondContact O-N 2.86Å; L939-K941 PolarHBondContact O-N 2.9Å; K941-K945 WeakPolarHBondContact O-CG 3.27Å; K941-K945 PolarHBondContact O-N 2.96Å; K941-L1083 HydrophobicContact CG-CD2 3.6Å; K941-L1086 HydrophobicContact CB-CD2 4.04Å; K941-L1086 HydrophobicContact CG-CD2 4.45Å; K941-D1087 VanDerWaalsContact CE-OD1 3.27Å; K941-D1087 WeakPolarHBondContact CE-OD1 3.34Å; K941-D1087 IonicContact NZ-OD1 3.46Å; K941-D1087 PolarHBondContact NZ-OD1 2.9Å; K941-D1087 IonicContact NZ-OD2 3.79Å; K941-D1087 PolarHBondContact NZ-OD2 2.82Å |
| 942 | Q | 95.3 | Very high | 94.7 | Very high | 82 Ų | 82 | 55.9 Ų | 55.9 | 38% | 0.383 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -71.6 | -40.7 | 170.4 | -169.3 | 61.3 | 44.3 | 0 | 0 | 112.2 | Q938 L939 L940 L944 K945 D946 | Q938-Q942 PolarHBondContact O-N 3.41Å; Q938-Q942 VanDerWaalsContact O-N 3.14Å; L939-Q942 CarbonylContact O-C 3.54Å; L939-Q942 WeakPolarHBondContact O-CA 3.46Å; L939-Q942 WeakPolarHBondContact O-CB 3.41Å; L939-Q942 PolarHBondContact O-N 3.42Å; L940-Q942 VanDerWaalsContact C-N 3.34Å; L940-Q942 PolarHBondContact O-N 3.46Å; Q942-L944 PolarHBondContact O-N 2.99Å; Q942-K945 PolarHBondContact O-N 2.79Å; Q942-D946 PolarHBondContact NE2-OD1 3.29Å; Q942-D946 PolarHBondContact O-N 2.68Å |
| 943 | Q | 94.5 | Very high | 94.6 | Very high | 16 Ų | 16 | 59.5 Ų | 59.5 | 8% | 0.075 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.6 | -34.5 | 178.1 | -52.8 | -145.5 | -45.2 | 0 | 0 | 112 | L800 L939 L940 Q947 | L800-Q943 HydrophobicContact CD1-CB 4.14Å; L800-Q943 HydrophobicContact CD2-CB 3.81Å; L800-Q943 HydrophobicContact CD2-CG 3.78Å; L800-Q943 HydrophobicContact CG-CB 4.46Å; L800-Q943 PolarHBondContact O-NE2 3.17Å; L939-Q943 HydrophobicContact CD1-CG 3.85Å; L939-Q943 HydrophobicContact CG-CG 3.88Å; L939-Q943 WeakPolarHBondContact O-CG 3.28Å; L939-Q943 PolarHBondContact O-N 3.38Å; L940-Q943 PolarHBondContact O-N 3.42Å; Q943-Q947 WeakPolarHBondContact O-CG 3.48Å; Q943-Q947 PolarHBondContact O-N 2.8Å; Q943-Q947 PolarHBondContact O-NE2 3.47Å |
| 944 | L | 95.6 | Very high | 94.3 | Very high | 34 Ų | 34 | 59.3 Ų | 59.3 | 18% | 0.178 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.6 | -48.4 | 174.6 | -166.8 | 65.9 | 0 | 0 | 0 | 111 | L940 Q942 D946 Q947 Y948 K1082 L1083 L1086 | L940-L944 WeakPolarHBondContact O-CB 3.42Å; L940-L944 PolarHBondContact O-N 3.27Å; Q942-L944 PolarHBondContact O-N 2.99Å; L944-D946 PolarHBondContact O-N 3.28Å; L944-Q947 WeakPolarHBondContact O-CB 3.4Å; L944-Q947 PolarHBondContact O-N 3.49Å; L944-Q947 VanDerWaalsContact O-N 3.15Å; L944-Y948 HydrophobicContact CD1-CD2 4.17Å; L944-Y948 HydrophobicContact CD1-CE2 3.71Å; L944-Y948 HydrophobicContact CG-CD2 4.03Å; L944-Y948 HydrophobicContact CG-CE2 3.89Å; L944-Y948 WeakPolarHBondContact O-CD2 3.43Å; L944-Y948 PolarHBondContact O-N 2.85Å; L944-K1082 HydrophobicContact CD1-CB 4.49Å; L944-K1082 HydrophobicContact CD2-CB 3.94Å; L944-L1083 HydrophobicContact CD2-CD2 3.93Å; L944-L1083 HydrophobicContact CD2-CG 4.03Å; L944-L1086 HydrophobicContact CD2-CD2 4.34Å |
| 945 | K | 95.6 | Very high | 94.2 | Very high | 93 Ų | 93 | 55.9 Ų | 55.9 | 40% | 0.404 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.4 | -45.2 | 175 | -75.3 | -177.8 | 174.9 | -168.2 | 0 | 113 | K941 Q942 Q947 Y948 F949 L1083 | K941-K945 WeakPolarHBondContact O-CG 3.27Å; K941-K945 PolarHBondContact O-N 2.96Å; Q942-K945 PolarHBondContact O-N 2.79Å; K945-Q947 PolarHBondContact O-N 2.92Å; K945-Y948 PolarHBondContact O-N 3.17Å; K945-F949 VanDerWaalsContact O-CB 3.25Å; K945-F949 WeakPolarHBondContact O-CB 3.35Å; K945-F949 PolarHBondContact O-N 3.14Å; K945-L1083 HydrophobicContact CG-CD2 4.3Å |
| 946 | D | 94.6 | Very high | 94 | Very high | 28 Ų | 28 | 58.4 Ų | 58.4 | 15% | 0.15 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.7 | -38.7 | 176.5 | -81.4 | 31.2 | 0 | 0 | 0 | 110.9 | L796 K799 Q942 L944 M950 | L796-D946 HydrophobicContact CD1-CB 3.97Å; K799-D946 IonicContact NZ-OD2 3.7Å; K799-D946 PolarHBondContact NZ-OD2 3.24Å; Q942-D946 PolarHBondContact NE2-OD1 3.29Å; Q942-D946 PolarHBondContact O-N 2.68Å; L944-D946 PolarHBondContact O-N 3.28Å; D946-M950 WeakPolarHBondContact O-CB 3.47Å; D946-M950 PolarHBondContact O-N 3.02Å |
| 947 | Q | 93.8 | Very high | 93.9 | Very high | 77 Ų | 77 | 59.5 Ų | 59.5 | 36% | 0.36 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.9 | -47 | 176.3 | -74.8 | 171.1 | 68.1 | 0 | 0 | 112.7 | L796 L800 Q943 L944 K945 F949 M950 Q951 | L796-Q947 HydrophobicContact CD2-CG 3.93Å; L800-Q947 HydrophobicContact CD1-CG 4.14Å; Q943-Q947 WeakPolarHBondContact O-CG 3.48Å; Q943-Q947 PolarHBondContact O-N 2.8Å; Q943-Q947 PolarHBondContact O-NE2 3.47Å; L944-Q947 WeakPolarHBondContact O-CB 3.4Å; L944-Q947 PolarHBondContact O-N 3.49Å; L944-Q947 VanDerWaalsContact O-N 3.15Å; K945-Q947 PolarHBondContact O-N 2.92Å; Q947-F949 VanDerWaalsContact C-N 3.34Å; Q947-F949 PolarHBondContact O-N 3.32Å; Q947-M950 PolarHBondContact O-N 3.15Å; Q947-Q951 WeakPolarHBondContact O-CG 3.45Å; Q947-Q951 PolarHBondContact O-N 3.04Å |
| 948 | Y | 94.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 63.4 Ų | 63.4 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.7 | -29.5 | 177.1 | -79.9 | -80 | 0 | 0 | 0 | 113 | L944 K945 R952 L1075 H1078 E1079 K1082 | L944-Y948 HydrophobicContact CD1-CD2 4.17Å; L944-Y948 HydrophobicContact CD1-CE2 3.71Å; L944-Y948 HydrophobicContact CG-CD2 4.03Å; L944-Y948 HydrophobicContact CG-CE2 3.89Å; L944-Y948 WeakPolarHBondContact O-CD2 3.43Å; L944-Y948 PolarHBondContact O-N 2.85Å; K945-Y948 PolarHBondContact O-N 3.17Å; Y948-R952 WeakPolarHBondContact O-CB 3.45Å; Y948-R952 WeakPolarHBondContact O-CG 3.38Å; Y948-R952 PolarHBondContact O-N 3.03Å; Y948-R952 PolarHBondContact O-NE 3.23Å; Y948-L1075 HydrophobicContact CD1-CD1 3.73Å; Y948-L1075 HydrophobicContact CD1-CG 4.3Å; Y948-L1075 HydrophobicContact CE1-CD1 3.92Å; Y948-H1078 HydrophobicContact CE1-CB 4.4Å; Y948-H1078 AromaticContact CE1-ND1 3.83Å; Y948-H1078 AromaticContact CZ-ND1 3.88Å; Y948-H1078 PolarHBondContact OH-CE1 2.92Å; Y948-H1078 PolarHBondContact OH-ND1 3.05Å; Y948-H1078 PolarHBondContact OH-O 3.2Å; Y948-E1079 WeakPolarHBondContact CB-OE1 3.29Å; Y948-E1079 HydrophobicContact CD1-CB 3.62Å; Y948-E1079 HydrophobicContact CD1-CG 4.2Å; Y948-E1079 HydrophobicContact CD2-CB 3.92Å; Y948-E1079 HydrophobicContact CD2-CG 3.73Å; Y948-E1079 HydrophobicContact CE1-CB 3.88Å; Y948-E1079 HydrophobicContact CE2-CB 4.18Å; Y948-E1079 HydrophobicContact CE2-CG 4.31Å; Y948-E1079 HydrophobicContact CG-CB 3.64Å; Y948-E1079 HydrophobicContact CG-CG 3.67Å; Y948-K1082 HydrophobicContact CE2-CB 4.31Å; Y948-K1082 WeakPolarHBondContact OH-CG 3.48Å |
| 949 | F | 95.5 | Very high | 93.2 | Very high | 139 Ų | 139 | 58.3 Ų | 58.3 | 61% | 0.61 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.1 | -49.6 | 168.7 | 179.9 | -92.7 | 0 | 0 | 0 | 111.2 | K945 Q947 Q951 R952 H953 | K945-F949 VanDerWaalsContact O-CB 3.25Å; K945-F949 WeakPolarHBondContact O-CB 3.35Å; K945-F949 PolarHBondContact O-N 3.14Å; Q947-F949 VanDerWaalsContact C-N 3.34Å; Q947-F949 PolarHBondContact O-N 3.32Å; F949-Q951 VanDerWaalsContact C-N 3.35Å; F949-Q951 PolarHBondContact O-N 3.22Å; F949-R952 PolarHBondContact O-N 3.12Å; F949-H953 PolarHBondContact O-N 3.02Å |
| 950 | M | 93 | Very high | 93.1 | Very high | 25 Ų | 25 | 62 Ų | 62 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.6 | -44.6 | 175.3 | -176 | -171 | 70.8 | 0 | 0 | 111.8 | A792 Q793 L796 D946 Q947 H953 Q954 | A792-M950 HydrophobicContact CB-SD 4.29Å; Q793-M950 HydrophobicContact CB-CE 3.95Å; Q793-M950 HydrophobicContact CB-SD 4.22Å; Q793-M950 HydrophobicContact CG-CE 4.08Å; L796-M950 HydrophobicContact CB-SD 4.22Å; L796-M950 HydrophobicContact CD2-CB 4.15Å; L796-M950 HydrophobicContact CD2-CE 4.1Å; L796-M950 HydrophobicContact CD2-SD 3.73Å; D946-M950 WeakPolarHBondContact O-CB 3.47Å; D946-M950 PolarHBondContact O-N 3.02Å; Q947-M950 PolarHBondContact O-N 3.15Å; M950-H953 PolarHBondContact O-N 3.2Å; M950-Q954 WeakPolarHBondContact O-CB 3.35Å; M950-Q954 VanDerWaalsContact O-CG 3.28Å; M950-Q954 WeakPolarHBondContact O-CG 3.47Å; M950-Q954 PolarHBondContact O-N 3.07Å |
| 951 | Q | 92.6 | Very high | 92.8 | Very high | 76 Ų | 76 | 62.2 Ų | 62.2 | 36% | 0.355 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 176.9 | -72 | 174.6 | 6 | 0 | 0 | 112.4 | Q947 F949 Q954 L955 L1075 | Q947-Q951 WeakPolarHBondContact O-CG 3.45Å; Q947-Q951 PolarHBondContact O-N 3.04Å; F949-Q951 VanDerWaalsContact C-N 3.35Å; F949-Q951 PolarHBondContact O-N 3.22Å; Q951-Q954 PolarHBondContact O-N 2.93Å; Q951-L955 VanDerWaalsContact O-CB 3.22Å; Q951-L955 WeakPolarHBondContact O-CB 3.36Å; Q951-L955 PolarHBondContact O-N 3.19Å; Q951-L1075 HydrophobicContact CB-CD1 4.31Å; Q951-L1075 HydrophobicContact CB-CD2 4.19Å |
| 952 | R | 93.6 | Very high | 92.3 | Very high | 70 Ų | 70 | 63.2 Ų | 63.2 | 26% | 0.264 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 172.5 | -82.2 | 177.2 | -72.8 | -136.9 | -11.5 | 111.9 | Y948 F949 Q954 L955 L956 L1075 E1079 | Y948-R952 WeakPolarHBondContact O-CB 3.45Å; Y948-R952 WeakPolarHBondContact O-CG 3.38Å; Y948-R952 PolarHBondContact O-N 3.03Å; Y948-R952 PolarHBondContact O-NE 3.23Å; F949-R952 PolarHBondContact O-N 3.12Å; R952-Q954 PolarHBondContact O-N 2.81Å; R952-L955 PolarHBondContact O-N 3.06Å; R952-L956 WeakPolarHBondContact O-CG 3.43Å; R952-L956 PolarHBondContact O-N 2.95Å; R952-L1075 HydrophobicContact CB-CD2 4.4Å; R952-L1075 HydrophobicContact CG-CD2 3.64Å; R952-L1075 HydrophobicContact CG-CG 4.4Å; R952-E1079 IonicContact CZ-OE1 3.33Å; R952-E1079 IonicContact CZ-OE2 3.8Å; R952-E1079 IonicContact NH1-OE1 2.66Å; R952-E1079 IonicContact NH1-OE2 3.87Å; R952-E1079 PolarHBondContact NH1-OE2 3.11Å; R952-E1079 VanDerWaalsContact NH2-CD 3.26Å; R952-E1079 IonicContact NH2-OE1 2.8Å; R952-E1079 PolarHBondContact NH2-OE1 3.27Å; R952-E1079 IonicContact NH2-OE2 3.09Å; R952-E1079 PolarHBondContact NH2-OE2 3.24Å; R952-E1079 VanDerWaalsContact NH2-OE2 3.12Å |
| 953 | H | 92.4 | Very high | 92.1 | Very high | 97 Ų | 97 | 61.6 Ų | 61.6 | 45% | 0.449 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 179.4 | -173.7 | 71 | 0 | 0 | 0 | 112.2 | F949 M950 L956 K957 | F949-H953 PolarHBondContact O-N 3.02Å; M950-H953 PolarHBondContact O-N 3.2Å; H953-L956 PolarHBondContact O-N 3.39Å; H953-K957 PolarHBondContact O-N 2.99Å |
| 954 | Q | 90.1 | Very high | 91.9 | Very high | 23 Ų | 23 | 63.4 Ų | 63.4 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 174 | -71.1 | 164.3 | -13.6 | 0 | 0 | 112.1 | E789 M950 Q951 R952 L956 K957 R958 | E789-Q954 HydrophobicContact CG-CG 4.43Å; M950-Q954 WeakPolarHBondContact O-CB 3.35Å; M950-Q954 VanDerWaalsContact O-CG 3.28Å; M950-Q954 WeakPolarHBondContact O-CG 3.47Å; M950-Q954 PolarHBondContact O-N 3.07Å; Q951-Q954 PolarHBondContact O-N 2.93Å; R952-Q954 PolarHBondContact O-N 2.81Å; Q954-L956 VanDerWaalsContact C-N 3.34Å; Q954-L956 PolarHBondContact O-N 2.94Å; Q954-K957 PolarHBondContact O-N 3.01Å; Q954-R958 WeakPolarHBondContact O-CB 3.47Å; Q954-R958 WeakPolarHBondContact O-CG 3.43Å; Q954-R958 PolarHBondContact O-N 3.47Å |
| 955 | L | 91.6 | Very high | 91.4 | Very high | 25 Ų | 25 | 63.9 Ų | 63.9 | 13% | 0.131 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.2 | -35.9 | 175.6 | 177.9 | 59.7 | 0 | 0 | 0 | 112.4 | Q951 R952 H959 Q1068 K1071 L1075 | Q951-L955 VanDerWaalsContact O-CB 3.22Å; Q951-L955 WeakPolarHBondContact O-CB 3.36Å; Q951-L955 PolarHBondContact O-N 3.19Å; R952-L955 PolarHBondContact O-N 3.06Å; L955-H959 PolarHBondContact O-N 3.49Å; L955-H959 VanDerWaalsContact O-N 3.16Å; L955-Q1068 PolarHBondContact O-NE2 3.4Å; L955-K1071 HydrophobicContact CD1-CB 4.02Å; L955-K1071 HydrophobicContact CD1-CD 3.71Å; L955-K1071 HydrophobicContact CD1-CG 4.44Å; L955-K1071 HydrophobicContact CD2-CB 4.05Å; L955-L1075 HydrophobicContact CD2-CD2 3.8Å |
| 956 | L | 90.9 | Very high | 91.1 | Very high | 101 Ų | 101 | 61.9 Ų | 61.9 | 53% | 0.529 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.8 | -48.9 | 172.6 | -71.5 | 168.3 | 0 | 0 | 0 | 111.7 | R952 H953 Q954 R958 H959 E960 | R952-L956 WeakPolarHBondContact O-CG 3.43Å; R952-L956 PolarHBondContact O-N 2.95Å; H953-L956 PolarHBondContact O-N 3.39Å; Q954-L956 VanDerWaalsContact C-N 3.34Å; Q954-L956 PolarHBondContact O-N 2.94Å; L956-R958 VanDerWaalsContact C-N 3.29Å; L956-R958 PolarHBondContact O-N 2.85Å; L956-H959 PolarHBondContact O-N 2.69Å; L956-H959 VanDerWaalsContact O-N 3.15Å; L956-E960 PolarHBondContact O-N 3.13Å |
| 957 | K | 90.5 | Very high | 90.9 | Very high | 73 Ų | 73 | 65.5 Ų | 65.5 | 32% | 0.317 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.4 | -39.8 | 174.6 | -83.6 | -169.4 | 166.8 | -169.4 | 0 | 112.7 | L785 E788 H953 Q954 K961 | L785-K957 HydrophobicContact CD1-CB 4.42Å; E788-K957 IonicContact OE2-NZ 2.66Å; E788-K957 PolarHBondContact OE2-NZ 2.89Å; H953-K957 PolarHBondContact O-N 2.99Å; Q954-K957 PolarHBondContact O-N 3.01Å; K957-K961 PolarHBondContact O-N 3.3Å |
| 958 | R | 87.4 | Confident | 90.6 | Very high | 104 Ų | 104 | 65.9 Ų | 65.9 | 39% | 0.392 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.4 | -47 | 175.4 | -76.8 | 173.4 | 175.6 | -175.1 | -3.7 | 111.5 | L785 E789 Q954 L956 E960 K961 E962 | L785-R958 HydrophobicContact CD2-CG 3.66Å; E789-R958 IonicContact OE1-CZ 3.68Å; E789-R958 IonicContact OE1-NH2 2.76Å; E789-R958 PolarHBondContact OE1-NH2 3.4Å; E789-R958 IonicContact OE2-CZ 2.63Å; E789-R958 IonicContact OE2-NE 3.58Å; E789-R958 PolarHBondContact OE2-NE 2.94Å; E789-R958 IonicContact OE2-NH2 2.66Å; E789-R958 PolarHBondContact OE2-NH2 3.44Å; Q954-R958 WeakPolarHBondContact O-CB 3.47Å; Q954-R958 WeakPolarHBondContact O-CG 3.43Å; Q954-R958 PolarHBondContact O-N 3.47Å; L956-R958 VanDerWaalsContact C-N 3.29Å; L956-R958 PolarHBondContact O-N 2.85Å; R958-E960 PolarHBondContact O-N 3.29Å; R958-K961 PolarHBondContact O-N 2.9Å; R958-E962 WeakPolarHBondContact O-CG 3.17Å; R958-E962 PolarHBondContact O-N 3.35Å |
| 959 | H | 91.2 | Very high | 90.1 | Very high | 12 Ų | 12 | 70.8 Ų | 70.8 | 6% | 0.056 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.9 | -36.9 | 178.7 | -178 | 65.5 | 0 | 0 | 0 | 113.8 | L955 L956 K961 E962 M963 Q1065 Q1068 | L955-H959 PolarHBondContact O-N 3.49Å; L955-H959 VanDerWaalsContact O-N 3.16Å; L956-H959 PolarHBondContact O-N 2.69Å; L956-H959 VanDerWaalsContact O-N 3.15Å; H959-K961 VanDerWaalsContact C-N 3.27Å; H959-K961 PolarHBondContact O-N 2.92Å; H959-E962 PolarHBondContact O-N 2.93Å; H959-M963 WeakPolarHBondContact O-CB 3.34Å; H959-M963 WeakPolarHBondContact O-CG 3.43Å; H959-M963 PolarHBondContact O-N 2.93Å; H959-Q1065 PolarHBondContact NE2-OE1 2.7Å; H959-Q1068 HydrophobicContact CB-CG 3.93Å; H959-Q1068 VanDerWaalsContact CB-NE2 3.27Å; H959-Q1068 VanDerWaalsContact CE1-CB 3.49Å; H959-Q1068 WeakPolarHBondContact CE1-CB 3.34Å; H959-Q1068 VanDerWaalsContact CG-CG 3.48Å; H959-Q1068 WeakPolarHBondContact ND1-CB 3.45Å |
| 960 | E | 91.4 | Very high | 89.8 | Confident | 105 Ų | 105 | 64.7 Ų | 64.7 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -54 | -45.9 | 171.5 | -176.6 | -176.1 | -139.7 | 0 | 0 | 110.9 | L956 R958 M963 E964 | L956-E960 PolarHBondContact O-N 3.13Å; R958-E960 PolarHBondContact O-N 3.29Å; E960-M963 PolarHBondContact O-N 2.98Å; E960-E964 PolarHBondContact O-N 3.13Å |
| 961 | K | 87.7 | Confident | 89.7 | Confident | 68 Ų | 68 | 68.9 Ų | 68.9 | 30% | 0.296 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -74.6 | -34.5 | 177.2 | -56.5 | -57.3 | 164.3 | -161.3 | 0 | 113.7 | K957 R958 H959 M963 E964 Q965 | K957-K961 PolarHBondContact O-N 3.3Å; R958-K961 PolarHBondContact O-N 2.9Å; H959-K961 VanDerWaalsContact C-N 3.27Å; H959-K961 PolarHBondContact O-N 2.92Å; K961-M963 VanDerWaalsContact C-N 3.32Å; K961-E964 WeakPolarHBondContact CD-OE1 3.28Å; K961-E964 IonicContact NZ-OE1 3.73Å; K961-E964 PolarHBondContact NZ-OE1 2.97Å; K961-Q965 WeakPolarHBondContact O-CB 3.42Å; K961-Q965 VanDerWaalsContact O-CG 3.23Å; K961-Q965 WeakPolarHBondContact O-CG 3.37Å; K961-Q965 PolarHBondContact O-N 2.85Å |
| 962 | E | 87.1 | Confident | 89.5 | Confident | 68 Ų | 68 | 69.2 Ų | 69.2 | 32% | 0.318 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 169.9 | -70.7 | 173.7 | -154.9 | 0 | 0 | 110.6 | R958 H959 Q965 M966 L1064 K1071 | R958-E962 WeakPolarHBondContact O-CG 3.17Å; R958-E962 PolarHBondContact O-N 3.35Å; H959-E962 PolarHBondContact O-N 2.93Å; E962-Q965 PolarHBondContact O-N 3.21Å; E962-M966 WeakPolarHBondContact O-CB 3.27Å; E962-M966 PolarHBondContact O-N 2.89Å; E962-L1064 HydrophobicContact CB-CD1 4.21Å; E962-L1064 HydrophobicContact CB-CD2 4.21Å; E962-K1071 IonicContact OE1-NZ 3.88Å; E962-K1071 PolarHBondContact OE1-NZ 2.8Å; E962-K1071 IonicContact OE2-NZ 3.52Å; E962-K1071 PolarHBondContact OE2-NZ 3.48Å |
| 963 | M | 90.3 | Very high | 89.2 | Confident | 48 Ų | 48 | 67.9 Ų | 67.9 | 24% | 0.236 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.8 | -45.4 | 176.2 | -74.8 | -132.5 | -68.1 | 0 | 0 | 112.9 | H959 E960 K961 Q965 M966 Q967 L1064 | H959-M963 WeakPolarHBondContact O-CB 3.34Å; H959-M963 WeakPolarHBondContact O-CG 3.43Å; H959-M963 PolarHBondContact O-N 2.93Å; E960-M963 PolarHBondContact O-N 2.98Å; K961-M963 VanDerWaalsContact C-N 3.32Å; M963-Q965 VanDerWaalsContact C-N 3.29Å; M963-Q965 PolarHBondContact O-N 3.15Å; M963-M966 PolarHBondContact O-N 3.11Å; M963-Q967 WeakPolarHBondContact O-CB 3.29Å; M963-Q967 VanDerWaalsContact O-CG 3.29Å; M963-Q967 WeakPolarHBondContact O-CG 3.42Å; M963-Q967 PolarHBondContact O-N 3.2Å; M963-L1064 HydrophobicContact CG-CD2 4.09Å |
| 964 | E | 89.9 | Confident | 89.1 | Confident | 53 Ų | 53 | 64.3 Ų | 64.3 | 25% | 0.248 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.3 | -44.5 | 173.7 | -80.7 | -173.8 | -122.2 | 0 | 0 | 111.5 | E960 K961 Q967 R968 | E960-E964 PolarHBondContact O-N 3.13Å; K961-E964 WeakPolarHBondContact CD-OE1 3.28Å; K961-E964 IonicContact NZ-OE1 3.73Å; K961-E964 PolarHBondContact NZ-OE1 2.97Å; E964-Q967 PolarHBondContact O-N 2.65Å; E964-R968 WeakPolarHBondContact O-CB 3.44Å; E964-R968 WeakPolarHBondContact O-CG 3.22Å; E964-R968 PolarHBondContact O-N 2.92Å; E964-R968 IonicContact OE2-CZ 2.07Å; E964-R968 IonicContact OE2-NE 3.86Å; E964-R968 IonicContact OE2-NH2 3.16Å; E964-R968 PolarHBondContact OE2-NH2 2.97Å |
| 965 | Q | 86.3 | Confident | 89.1 | Confident | 45 Ų | 45 | 67.3 Ų | 67.3 | 21% | 0.21 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 177.2 | -72.3 | 171.9 | 26.6 | 0 | 0 | 111.7 | K961 E962 M963 R968 Y969 | K961-Q965 WeakPolarHBondContact O-CB 3.42Å; K961-Q965 VanDerWaalsContact O-CG 3.23Å; K961-Q965 WeakPolarHBondContact O-CG 3.37Å; K961-Q965 PolarHBondContact O-N 2.85Å; E962-Q965 PolarHBondContact O-N 3.21Å; M963-Q965 VanDerWaalsContact C-N 3.29Å; M963-Q965 PolarHBondContact O-N 3.15Å; Q965-R968 PolarHBondContact O-N 3.39Å; Q965-Y969 WeakPolarHBondContact O-CB 3.43Å; Q965-Y969 PolarHBondContact O-N 3.33Å |
| 966 | M | 88.4 | Confident | 89 | Confident | 50 Ų | 50 | 70.1 Ų | 70.1 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 177.3 | -170.7 | 61.9 | 77.8 | 0 | 0 | 112.3 | E962 M963 Y969 N970 N1060 I1061 L1064 | E962-M966 WeakPolarHBondContact O-CB 3.27Å; E962-M966 PolarHBondContact O-N 2.89Å; M963-M966 PolarHBondContact O-N 3.11Å; M966-Y969 PolarHBondContact O-N 3.48Å; M966-Y969 HydrophobicContact SD-CD1 4.22Å; M966-N970 WeakPolarHBondContact O-CB 3.42Å; M966-N970 PolarHBondContact O-N 2.9Å; M966-N1060 HydrophobicContact CE-CB 4.37Å; M966-N1060 HydrophobicContact CG-CB 4.31Å; M966-N1060 HydrophobicContact SD-CB 3.76Å; M966-I1061 HydrophobicContact CB-CD1 3.96Å; M966-I1061 HydrophobicContact CG-CD1 3.56Å; M966-I1061 HydrophobicContact CG-CG1 4.31Å; M966-L1064 HydrophobicContact CB-CD2 3.82Å; M966-L1064 HydrophobicContact CE-CD2 4.35Å; M966-L1064 HydrophobicContact CG-CD2 4.23Å |
| 967 | Q | 90 | Very high | 89 | Confident | 105 Ų | 105 | 66.7 Ų | 66.7 | 49% | 0.491 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.8 | -48.5 | 174.7 | -70.7 | 174.9 | 13.8 | 0 | 0 | 111.4 | M963 E964 Y969 N970 Q971 I1061 | M963-Q967 WeakPolarHBondContact O-CB 3.29Å; M963-Q967 VanDerWaalsContact O-CG 3.29Å; M963-Q967 WeakPolarHBondContact O-CG 3.42Å; M963-Q967 PolarHBondContact O-N 3.2Å; E964-Q967 PolarHBondContact O-N 2.65Å; Q967-Y969 PolarHBondContact O-N 3.33Å; Q967-N970 PolarHBondContact O-N 2.96Å; Q967-Q971 WeakPolarHBondContact O-CB 3.37Å; Q967-Q971 PolarHBondContact O-N 2.66Å; Q967-I1061 HydrophobicContact CG-CD1 3.95Å |
| 968 | R | 87.3 | Confident | 89.1 | Confident | 85 Ų | 85 | 68.5 Ų | 68.5 | 32% | 0.321 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.1 | -30.4 | 174.6 | -68.1 | 169.7 | -165.7 | -171.5 | 6.2 | 112.1 | E964 Q965 R972 | E964-R968 WeakPolarHBondContact O-CB 3.44Å; E964-R968 WeakPolarHBondContact O-CG 3.22Å; E964-R968 PolarHBondContact O-N 2.92Å; E964-R968 IonicContact OE2-CZ 2.07Å; E964-R968 IonicContact OE2-NE 3.86Å; E964-R968 IonicContact OE2-NH2 3.16Å; E964-R968 PolarHBondContact OE2-NH2 2.97Å; Q965-R968 PolarHBondContact O-N 3.39Å; R968-R972 WeakPolarHBondContact O-CG 3.49Å; R968-R972 PolarHBondContact O-N 3.22Å; R968-R972 PolarHBondContact O-NE 3.26Å |
| 969 | Y | 84.9 | Confident | 89.2 | Confident | 115 Ų | 115 | 67.6 Ų | 67.6 | 45% | 0.451 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -74.3 | -53 | 174.6 | 174.7 | -108.8 | 0 | 0 | 0 | 112.2 | Q965 M966 Q967 Q971 R972 L973 | Q965-Y969 WeakPolarHBondContact O-CB 3.43Å; Q965-Y969 PolarHBondContact O-N 3.33Å; M966-Y969 PolarHBondContact O-N 3.48Å; M966-Y969 HydrophobicContact SD-CD1 4.22Å; Q967-Y969 PolarHBondContact O-N 3.33Å; Y969-Q971 VanDerWaalsContact C-N 3.29Å; Y969-Q971 PolarHBondContact O-N 2.94Å; Y969-R972 WeakPolarHBondContact O-CB 3.46Å; Y969-R972 PolarHBondContact O-N 3.33Å; Y969-R972 VanDerWaalsContact O-N 3.07Å; Y969-L973 HydrophobicContact CD1-CD1 4.24Å; Y969-L973 HydrophobicContact CE1-CD1 3.65Å; Y969-L973 HydrophobicContact CE1-CG 4.35Å; Y969-L973 HydrophobicContact CE2-CD2 4.4Å; Y969-L973 HydrophobicContact CE2-CG 4.4Å; Y969-L973 PolarHBondContact O-N 3.42Å; Y969-L973 VanDerWaalsContact O-N 3.1Å |
| 970 | N | 89.9 | Confident | 89.1 | Confident | 10 Ų | 10 | 71.7 Ų | 71.7 | 5% | 0.053 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.8 | -42.2 | 176.8 | -76.4 | -12.6 | 0 | 0 | 0 | 111.9 | M966 Q967 R972 L973 I974 C1057 N1060 | M966-N970 WeakPolarHBondContact O-CB 3.42Å; M966-N970 PolarHBondContact O-N 2.9Å; Q967-N970 PolarHBondContact O-N 2.96Å; N970-R972 PolarHBondContact O-N 3.44Å; N970-L973 PolarHBondContact O-N 2.93Å; N970-I974 WeakPolarHBondContact O-CG1 3.49Å; N970-I974 PolarHBondContact O-N 2.93Å; N970-C1057 HydrophobicContact CB-CB 3.86Å; N970-C1057 WeakPolarHBondContact ND2-CA 3.41Å; N970-C1057 PolarHBondContact ND2-O 3.3Å; N970-N1060 PolarHBondContact OD1-ND2 2.96Å |
| 971 | Q | 90.8 | Very high | 89.2 | Confident | 113 Ų | 113 | 66.9 Ų | 66.9 | 53% | 0.528 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.2 | -43 | 175.7 | -176.8 | 174.4 | -7.3 | 0 | 0 | 112.3 | Q967 Y969 L973 I974 E975 | Q967-Q971 WeakPolarHBondContact O-CB 3.37Å; Q967-Q971 PolarHBondContact O-N 2.66Å; Y969-Q971 VanDerWaalsContact C-N 3.29Å; Y969-Q971 PolarHBondContact O-N 2.94Å; Q971-L973 PolarHBondContact O-N 3.43Å; Q971-I974 PolarHBondContact O-N 3.37Å; Q971-E975 WeakPolarHBondContact CG-OE1 3.46Å; Q971-E975 PolarHBondContact NE2-OE1 2.87Å; Q971-E975 WeakPolarHBondContact O-CG 3.36Å; Q971-E975 PolarHBondContact O-N 3.25Å |
| 972 | R | 86.7 | Confident | 89.3 | Confident | 84 Ų | 84 | 68 Ų | 68 | 32% | 0.317 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 176.5 | -78.6 | 177.4 | -74.7 | 179.3 | -4.2 | 112.1 | R968 Y969 N970 E975 E976 | R968-R972 WeakPolarHBondContact O-CG 3.49Å; R968-R972 PolarHBondContact O-N 3.22Å; R968-R972 PolarHBondContact O-NE 3.26Å; Y969-R972 WeakPolarHBondContact O-CB 3.46Å; Y969-R972 PolarHBondContact O-N 3.33Å; Y969-R972 VanDerWaalsContact O-N 3.07Å; N970-R972 PolarHBondContact O-N 3.44Å; R972-E975 PolarHBondContact O-N 2.92Å; R972-E976 WeakPolarHBondContact O-CB 3.36Å; R972-E976 PolarHBondContact O-N 3.46Å |
| 973 | L | 87.4 | Confident | 89.4 | Confident | 41 Ų | 41 | 69.6 Ų | 69.6 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 174.1 | -66 | 176.8 | 0 | 0 | 0 | 111.6 | Y969 N970 Q971 E975 E976 L977 L1053 | Y969-L973 HydrophobicContact CD1-CD1 4.24Å; Y969-L973 HydrophobicContact CE1-CD1 3.65Å; Y969-L973 HydrophobicContact CE1-CG 4.35Å; Y969-L973 HydrophobicContact CE2-CD2 4.4Å; Y969-L973 HydrophobicContact CE2-CG 4.4Å; Y969-L973 PolarHBondContact O-N 3.42Å; Y969-L973 VanDerWaalsContact O-N 3.1Å; N970-L973 PolarHBondContact O-N 2.93Å; Q971-L973 PolarHBondContact O-N 3.43Å; L973-E975 VanDerWaalsContact C-N 3.33Å; L973-E975 PolarHBondContact O-N 2.8Å; L973-E976 PolarHBondContact O-N 3.21Å; L973-L977 PolarHBondContact O-N 3.27Å; L973-L1053 HydrophobicContact CB-CD1 4.21Å; L973-L1053 HydrophobicContact CB-CD2 4.28Å; L973-L1053 HydrophobicContact CD1-CD1 4.37Å |
| 974 | I | 91.3 | Very high | 89.4 | Confident | 22 Ų | 22 | 70.9 Ų | 70.9 | 11% | 0.113 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 178.2 | -76.4 | 169.3 | 0 | 0 | 0 | 111.2 | N970 Q971 K978 M1050 L1053 | N970-I974 WeakPolarHBondContact O-CG1 3.49Å; N970-I974 PolarHBondContact O-N 2.93Å; Q971-I974 PolarHBondContact O-N 3.37Å; I974-K978 HydrophobicContact CG2-CD 4Å; I974-K978 VanDerWaalsContact CG2-CE 3.47Å; I974-K978 VanDerWaalsContact CG2-NZ 3.32Å; I974-K978 WeakPolarHBondContact O-CB 3.38Å; I974-K978 VanDerWaalsContact O-CG 3.23Å; I974-K978 WeakPolarHBondContact O-CG 3.48Å; I974-K978 PolarHBondContact O-N 3.12Å; I974-M1050 HydrophobicContact CG2-CE 4.26Å; I974-L1053 HydrophobicContact CG1-CD2 4.17Å; I974-L1053 HydrophobicContact CG1-CG 4.39Å |
| 975 | E | 90.9 | Very high | 89.3 | Confident | 87 Ų | 87 | 73.8 Ų | 73.8 | 41% | 0.407 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.1 | -36.2 | 177.3 | -73.8 | 178.8 | -161.1 | 0 | 0 | 112.8 | Q971 R972 L973 K978 N979 | Q971-E975 WeakPolarHBondContact CG-OE1 3.46Å; Q971-E975 PolarHBondContact NE2-OE1 2.87Å; Q971-E975 WeakPolarHBondContact O-CG 3.36Å; Q971-E975 PolarHBondContact O-N 3.25Å; R972-E975 PolarHBondContact O-N 2.92Å; L973-E975 VanDerWaalsContact C-N 3.33Å; L973-E975 PolarHBondContact O-N 2.8Å; E975-K978 PolarHBondContact O-N 2.73Å; E975-N979 WeakPolarHBondContact O-CB 3.46Å; E975-N979 PolarHBondContact O-N 2.65Å; E975-N979 PolarHBondContact O-ND2 3.29Å |
| 976 | E | 88.5 | Confident | 89.5 | Confident | 84 Ų | 84 | 75.4 Ų | 75.4 | 39% | 0.393 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 175 | -149.3 | -146.7 | 163.4 | 0 | 0 | 111.6 | R972 L973 N979 K980 | R972-E976 WeakPolarHBondContact O-CB 3.36Å; R972-E976 PolarHBondContact O-N 3.46Å; L973-E976 PolarHBondContact O-N 3.21Å; E976-N979 PolarHBondContact O-N 3.27Å; E976-K980 VanDerWaalsContact CD-CE 3.41Å; E976-K980 WeakPolarHBondContact O-CG 3.28Å; E976-K980 PolarHBondContact O-N 3.1Å; E976-K980 WeakPolarHBondContact OE1-CE 3.4Å; E976-K980 IonicContact OE1-NZ 2.78Å; E976-K980 PolarHBondContact OE1-NZ 3.46Å; E976-K980 IonicContact OE2-NZ 2.73Å; E976-K980 PolarHBondContact OE2-NZ 3.16Å |
| 977 | L | 92.2 | Very high | 89.6 | Confident | 28 Ų | 28 | 79.9 Ų | 79.9 | 15% | 0.147 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64 | -49 | 173.5 | -178.6 | 60.5 | 0 | 0 | 0 | 111.4 | L973 N979 K980 Q981 Q1049 M1050 L1053 | L973-L977 PolarHBondContact O-N 3.27Å; L977-N979 PolarHBondContact O-N 3.17Å; L977-K980 PolarHBondContact O-N 2.88Å; L977-K980 VanDerWaalsContact O-N 3.13Å; L977-Q981 HydrophobicContact CD1-CG 4.19Å; L977-Q981 HydrophobicContact CG-CG 4.41Å; L977-Q981 WeakPolarHBondContact O-CG 3.47Å; L977-Q981 PolarHBondContact O-N 3.09Å; L977-Q1049 HydrophobicContact CD1-CB 4.49Å; L977-Q1049 HydrophobicContact CD2-CB 4.22Å; L977-Q1049 WeakPolarHBondContact CD2-O 3.28Å; L977-M1050 HydrophobicContact CD2-CG 4.38Å; L977-M1050 HydrophobicContact CD2-SD 3.71Å; L977-M1050 HydrophobicContact CG-SD 3.99Å; L977-L1053 HydrophobicContact CB-CD2 3.83Å; L977-L1053 HydrophobicContact CD2-CB 4.09Å; L977-L1053 HydrophobicContact CD2-CD2 3.59Å; L977-L1053 HydrophobicContact CG-CD2 4.36Å |
| 978 | K | 92.3 | Very high | 89.5 | Confident | 111 Ų | 111 | 76 Ų | 76 | 48% | 0.483 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -53 | -42.1 | 174.2 | -75.6 | 166.5 | 180 | 170.2 | 0 | 111.6 | I974 E975 N982 M1050 | I974-K978 HydrophobicContact CG2-CD 4Å; I974-K978 VanDerWaalsContact CG2-CE 3.47Å; I974-K978 VanDerWaalsContact CG2-NZ 3.32Å; I974-K978 WeakPolarHBondContact O-CB 3.38Å; I974-K978 VanDerWaalsContact O-CG 3.23Å; I974-K978 WeakPolarHBondContact O-CG 3.48Å; I974-K978 PolarHBondContact O-N 3.12Å; E975-K978 PolarHBondContact O-N 2.73Å; K978-N982 WeakPolarHBondContact O-CB 3.22Å; K978-N982 PolarHBondContact O-N 2.64Å; K978-M1050 HydrophobicContact CG-CE 4.35Å; K978-M1050 HydrophobicContact CG-SD 4.04Å |
| 979 | N | 89.4 | Confident | 89.6 | Confident | 86 Ų | 86 | 74.1 Ų | 74.1 | 46% | 0.46 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.9 | -43.8 | 177.2 | -83.1 | -59.5 | 0 | 0 | 0 | 113.1 | E975 E976 L977 N982 Q983 | E975-N979 WeakPolarHBondContact O-CB 3.46Å; E975-N979 PolarHBondContact O-N 2.65Å; E975-N979 PolarHBondContact O-ND2 3.29Å; E976-N979 PolarHBondContact O-N 3.27Å; L977-N979 PolarHBondContact O-N 3.17Å; N979-N982 PolarHBondContact O-N 3.42Å; N979-Q983 WeakPolarHBondContact O-CG 3.45Å; N979-Q983 PolarHBondContact O-N 2.7Å |
| 980 | K | 89.3 | Confident | 89.9 | Confident | 97 Ų | 97 | 74.8 Ų | 74.8 | 42% | 0.422 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.8 | -50.4 | 173.6 | -73.7 | 163.1 | 179.8 | 164.1 | 0 | 110.8 | E976 L977 N982 Q983 E984 | E976-K980 VanDerWaalsContact CD-CE 3.41Å; E976-K980 WeakPolarHBondContact O-CG 3.28Å; E976-K980 PolarHBondContact O-N 3.1Å; E976-K980 WeakPolarHBondContact OE1-CE 3.4Å; E976-K980 IonicContact OE1-NZ 2.78Å; E976-K980 PolarHBondContact OE1-NZ 3.46Å; E976-K980 IonicContact OE2-NZ 2.73Å; E976-K980 PolarHBondContact OE2-NZ 3.16Å; L977-K980 PolarHBondContact O-N 2.88Å; L977-K980 VanDerWaalsContact O-N 3.13Å; K980-N982 VanDerWaalsContact C-N 3.34Å; K980-N982 PolarHBondContact O-N 3.1Å; K980-Q983 PolarHBondContact O-N 2.8Å; K980-E984 PolarHBondContact O-N 3.27Å |
| 981 | Q | 92.3 | Very high | 89.8 | Confident | 4 Ų | 4 | 78.8 Ų | 78.8 | 2% | 0.019 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.8 | -37.6 | 177.7 | -64.8 | -170.2 | 3.5 | 0 | 0 | 113.1 | L977 E984 R985 H1046 | L977-Q981 HydrophobicContact CD1-CG 4.19Å; L977-Q981 HydrophobicContact CG-CG 4.41Å; L977-Q981 WeakPolarHBondContact O-CG 3.47Å; L977-Q981 PolarHBondContact O-N 3.09Å; Q981-E984 PolarHBondContact O-N 2.84Å; Q981-R985 WeakPolarHBondContact O-CB 3.45Å; Q981-R985 WeakPolarHBondContact O-CG 3.34Å; Q981-R985 PolarHBondContact O-N 2.75Å; Q981-H1046 HydrophobicContact CG-CB 4.28Å; Q981-H1046 VanDerWaalsContact CG-CD2 3.45Å; Q981-H1046 WeakPolarHBondContact CG-CD2 3.46Å; Q981-H1046 PolarHBondContact NE2-O 3.46Å; Q981-H1046 PolarHBondContact O-NE2 3.09Å |
| 982 | N | 90.8 | Very high | 89.8 | Confident | 92 Ų | 92 | 73.7 Ų | 73.7 | 49% | 0.492 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 176.8 | -170.8 | 25.6 | 0 | 0 | 0 | 111.5 | K978 N979 K980 E984 R985 V986 | K978-N982 WeakPolarHBondContact O-CB 3.22Å; K978-N982 PolarHBondContact O-N 2.64Å; N979-N982 PolarHBondContact O-N 3.42Å; K980-N982 VanDerWaalsContact C-N 3.34Å; K980-N982 PolarHBondContact O-N 3.1Å; N982-E984 VanDerWaalsContact C-N 3.31Å; N982-E984 PolarHBondContact O-N 2.84Å; N982-R985 PolarHBondContact O-N 2.98Å; N982-V986 WeakPolarHBondContact O-CG2 3.36Å; N982-V986 PolarHBondContact O-N 3.44Å |
| 983 | Q | 89.4 | Confident | 89.8 | Confident | 102 Ų | 102 | 77.1 Ų | 77.1 | 48% | 0.477 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59 | -42.8 | 173.7 | -69 | -176.4 | 48.1 | 0 | 0 | 111.8 | N979 K980 V986 R987 | N979-Q983 WeakPolarHBondContact O-CG 3.45Å; N979-Q983 PolarHBondContact O-N 2.7Å; K980-Q983 PolarHBondContact O-N 2.8Å; Q983-V986 PolarHBondContact O-N 2.68Å; Q983-R987 WeakPolarHBondContact O-CB 3.25Å; Q983-R987 VanDerWaalsContact O-CG 3.23Å; Q983-R987 WeakPolarHBondContact O-CG 3.4Å; Q983-R987 PolarHBondContact O-N 3.41Å |
| 984 | E | 89 | Confident | 89.9 | Confident | 75 Ų | 75 | 78 Ų | 78 | 35% | 0.35 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.9 | -47.6 | 174.8 | -81.4 | -161.6 | -138.7 | 0 | 0 | 113.1 | K980 Q981 N982 V986 R987 L988 Q1042 H1046 | K980-E984 PolarHBondContact O-N 3.27Å; Q981-E984 PolarHBondContact O-N 2.84Å; N982-E984 VanDerWaalsContact C-N 3.31Å; N982-E984 PolarHBondContact O-N 2.84Å; E984-V986 PolarHBondContact O-N 3.46Å; E984-R987 PolarHBondContact O-N 2.89Å; E984-R987 VanDerWaalsContact O-N 3.1Å; E984-L988 PolarHBondContact O-N 3.25Å; E984-Q1042 PolarHBondContact OE2-NE2 3.21Å; E984-H1046 WeakPolarHBondContact CB-NE2 3.43Å |
| 985 | R | 88.6 | Confident | 89.9 | Confident | 113 Ų | 113 | 79.5 Ų | 79.5 | 43% | 0.426 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.4 | -31.5 | 176.6 | -70.3 | 169.7 | -157.8 | -150.4 | 8.2 | 112.4 | Q981 N982 P989 H1046 | Q981-R985 WeakPolarHBondContact O-CB 3.45Å; Q981-R985 WeakPolarHBondContact O-CG 3.34Å; Q981-R985 PolarHBondContact O-N 2.75Å; N982-R985 PolarHBondContact O-N 2.98Å; R985-P989 WeakPolarHBondContact O-CD 3.49Å; R985-P989 WeakPolarHBondContact O-CG 3.36Å; R985-H1046 VanDerWaalsContact CG-CE1 3.48Å; R985-H1046 WeakPolarHBondContact CG-CE1 3.15Å; R985-H1046 WeakPolarHBondContact CG-NE2 3.34Å; R985-H1046 VanDerWaalsContact CZ-CE1 3.48Å; R985-H1046 PolarHBondContact N-NE2 3.27Å; R985-H1046 PolarHBondContact NE-CE1 3.37Å; R985-H1046 PolarHBondContact NE-ND1 3Å |
| 986 | V | 89.8 | Confident | 89.8 | Confident | 80 Ų | 80 | 76.6 Ų | 76.6 | 49% | 0.485 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -82 | -29 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 112.7 | N982 Q983 E984 | N982-V986 WeakPolarHBondContact O-CG2 3.36Å; N982-V986 PolarHBondContact O-N 3.44Å; Q983-V986 PolarHBondContact O-N 2.68Å; E984-V986 PolarHBondContact O-N 3.46Å |
| 987 | R | 90.5 | Very high | 90 | Very high | 143 Ų | 143 | 80.1 Ų | 80.1 | 54% | 0.54 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -79.6 | -46.9 | 178.5 | -73.6 | 172.9 | -168.6 | -176.6 | 7.6 | 112.7 | Q983 E984 K990 I991 | Q983-R987 WeakPolarHBondContact O-CB 3.25Å; Q983-R987 VanDerWaalsContact O-CG 3.23Å; Q983-R987 WeakPolarHBondContact O-CG 3.4Å; Q983-R987 PolarHBondContact O-N 3.41Å; E984-R987 PolarHBondContact O-N 2.89Å; E984-R987 VanDerWaalsContact O-N 3.1Å; R987-K990 WeakPolarHBondContact O-CA 3.46Å; R987-K990 WeakPolarHBondContact O-CB 3.04Å; R987-K990 PolarHBondContact O-N 2.89Å; R987-I991 PolarHBondContact O-N 3.36Å |
| 988 | L | 88.6 | Confident | 89.9 | Confident | 24 Ų | 24 | 82.8 Ų | 82.8 | 13% | 0.126 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -54.5 | -45.6 | -173.2 | 179.3 | 65.4 | 0 | 0 | 0 | 113.4 | E984 K990 I991 Q992 R1039 Q1042 | E984-L988 PolarHBondContact O-N 3.25Å; L988-K990 PolarHBondContact O-N 3.02Å; L988-K990 VanDerWaalsContact O-N 3.14Å; L988-I991 PolarHBondContact O-N 3.46Å; L988-I991 VanDerWaalsContact O-N 3.14Å; L988-Q992 HydrophobicContact CD1-CG 3.93Å; L988-Q992 HydrophobicContact CG-CG 4.12Å; L988-Q992 WeakPolarHBondContact O-CG 3.47Å; L988-Q992 PolarHBondContact O-N 3.33Å; L988-R1039 HydrophobicContact CD2-CG 3.93Å; L988-Q1042 HydrophobicContact CD2-CB 4.27Å |
| 989 | P | 88.2 | Confident | 89.9 | Confident | 46 Ų | 46 | 82.5 Ų | 82.5 | 30% | 0.299 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.7 | -13 | 178.3 | -21.4 | 34.6 | 0 | 0 | 0 | 114.3 | R985 R993 | R985-P989 WeakPolarHBondContact O-CD 3.49Å; R985-P989 WeakPolarHBondContact O-CG 3.36Å; P989-R993 PolarHBondContact O-NE 2.82Å; P989-R993 PolarHBondContact O-NH2 2.9Å |
| 990 | K | 91.1 | Very high | 90 | Very high | 129 Ų | 129 | 80.1 Ų | 80.1 | 56% | 0.561 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -81.7 | -47.7 | 170.2 | -60.2 | 180 | -177 | -178.4 | 0 | 109.8 | R987 L988 R993 S994 | R987-K990 WeakPolarHBondContact O-CA 3.46Å; R987-K990 WeakPolarHBondContact O-CB 3.04Å; R987-K990 PolarHBondContact O-N 2.89Å; L988-K990 PolarHBondContact O-N 3.02Å; L988-K990 VanDerWaalsContact O-N 3.14Å; K990-R993 WeakPolarHBondContact O-CB 3.3Å; K990-R993 PolarHBondContact O-N 2.76Å; K990-R993 VanDerWaalsContact O-N 3.09Å; K990-S994 PolarHBondContact O-N 3.38Å; K990-S994 VanDerWaalsContact O-N 3.17Å; K990-S994 PolarHBondContact O-OG 2.92Å |
| 991 | I | 88.6 | Confident | 90.1 | Very high | 93 Ų | 93 | 78.3 Ų | 78.3 | 48% | 0.477 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.8 | -47.8 | 177.9 | -60.4 | 167.7 | 0 | 0 | 0 | 110.8 | R987 L988 R993 S994 D995 | R987-I991 PolarHBondContact O-N 3.36Å; L988-I991 PolarHBondContact O-N 3.46Å; L988-I991 VanDerWaalsContact O-N 3.14Å; I991-R993 PolarHBondContact O-N 3.47Å; I991-R993 VanDerWaalsContact O-N 3.16Å; I991-S994 WeakPolarHBondContact CA-OG 3.26Å; I991-S994 PolarHBondContact O-N 2.87Å; I991-S994 VanDerWaalsContact O-N 3.09Å; I991-S994 PolarHBondContact O-OG 3.33Å; I991-D995 PolarHBondContact O-N 3.4Å |
| 992 | Q | 89.9 | Confident | 89.9 | Confident | 7 Ų | 7 | 84.2 Ų | 84.2 | 3% | 0.033 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -55.9 | -33.8 | 175.3 | -73.3 | -176.8 | -31.4 | 0 | 0 | 112.7 | L988 A996 Q1035 E1038 | L988-Q992 HydrophobicContact CD1-CG 3.93Å; L988-Q992 HydrophobicContact CG-CG 4.12Å; L988-Q992 WeakPolarHBondContact O-CG 3.47Å; L988-Q992 PolarHBondContact O-N 3.33Å; Q992-A996 WeakPolarHBondContact O-CB 3.42Å; Q992-A996 PolarHBondContact O-N 2.85Å; Q992-Q1035 HydrophobicContact CB-CG 4.11Å; Q992-Q1035 HydrophobicContact CG-CG 4.07Å; Q992-Q1035 PolarHBondContact NE2-O 2.95Å; Q992-Q1035 VanDerWaalsContact NE2-O 3.09Å; Q992-E1038 WeakPolarHBondContact CG-OE2 3.43Å; Q992-E1038 PolarHBondContact NE2-OE2 3.1Å |
| 993 | R | 88.2 | Confident | 89.8 | Confident | 155 Ų | 155 | 82.1 Ų | 82.1 | 59% | 0.585 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -77.4 | -28.5 | 177.8 | -84.2 | -179.9 | -72.1 | 167.2 | -4.5 | 114 | P989 K990 I991 K997 | P989-R993 PolarHBondContact O-NE 2.82Å; P989-R993 PolarHBondContact O-NH2 2.9Å; K990-R993 WeakPolarHBondContact O-CB 3.3Å; K990-R993 PolarHBondContact O-N 2.76Å; K990-R993 VanDerWaalsContact O-N 3.09Å; I991-R993 PolarHBondContact O-N 3.47Å; I991-R993 VanDerWaalsContact O-N 3.16Å; R993-K997 WeakPolarHBondContact O-CG 3.03Å |
| 994 | S | 90 | Very high | 89.7 | Confident | 61 Ų | 61 | 81.2 Ų | 81.2 | 43% | 0.427 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -73.4 | -46.8 | 168.3 | 38.3 | 0 | 0 | 0 | 0 | 110.9 | K990 I991 A996 K997 T998 | K990-S994 PolarHBondContact O-N 3.38Å; K990-S994 VanDerWaalsContact O-N 3.17Å; K990-S994 PolarHBondContact O-OG 2.92Å; I991-S994 WeakPolarHBondContact CA-OG 3.26Å; I991-S994 PolarHBondContact O-N 2.87Å; I991-S994 VanDerWaalsContact O-N 3.09Å; I991-S994 PolarHBondContact O-OG 3.33Å; S994-A996 PolarHBondContact O-N 3.17Å; S994-K997 WeakPolarHBondContact O-CB 3.48Å; S994-K997 PolarHBondContact O-N 3.49Å; S994-K997 VanDerWaalsContact O-N 3.13Å; S994-T998 PolarHBondContact O-N 3.16Å; S994-T998 PolarHBondContact O-OG1 3.15Å |
| 995 | D | 89.4 | Confident | 89.6 | Confident | 52 Ų | 52 | 84.5 Ų | 84.5 | 28% | 0.278 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.9 | -46.4 | 178.5 | -103.6 | 56.1 | 0 | 0 | 0 | 112.3 | I991 K997 T998 R999 | I991-D995 PolarHBondContact O-N 3.4Å; D995-K997 VanDerWaalsContact C-N 3.29Å; D995-K997 PolarHBondContact O-N 3.43Å; D995-T998 PolarHBondContact O-N 2.77Å; D995-R999 WeakPolarHBondContact O-CB 3.31Å; D995-R999 VanDerWaalsContact O-CG 3.27Å; D995-R999 WeakPolarHBondContact O-CG 3.36Å; D995-R999 PolarHBondContact O-N 3.22Å; D995-R999 IonicContact OD2-CZ 3.3Å; D995-R999 IonicContact OD2-NE 2.83Å; D995-R999 PolarHBondContact OD2-NE 2.99Å; D995-R999 IonicContact OD2-NH2 3.72Å; D995-R999 PolarHBondContact OD2-NH2 3.49Å |
| 996 | A | 90.3 | Very high | 89.4 | Confident | 26 Ų | 26 | 82 Ų | 82 | 22% | 0.215 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -56.3 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q992 S994 M1000 E1031 | Q992-A996 WeakPolarHBondContact O-CB 3.42Å; Q992-A996 PolarHBondContact O-N 2.85Å; S994-A996 PolarHBondContact O-N 3.17Å; A996-M1000 WeakPolarHBondContact O-CB 3.33Å; A996-M1000 PolarHBondContact O-N 3.38Å; A996-E1031 HydrophobicContact CB-CG 4.4Å |
| 997 | K | 91.4 | Very high | 89 | Confident | 159 Ų | 159 | 78.9 Ų | 78.9 | 69% | 0.691 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.6 | -47 | 177.9 | -71.7 | 172.2 | -179.7 | -177.6 | 0 | 110.9 | R993 S994 D995 M1000 A1001 | R993-K997 WeakPolarHBondContact O-CG 3.03Å; S994-K997 WeakPolarHBondContact O-CB 3.48Å; S994-K997 PolarHBondContact O-N 3.49Å; S994-K997 VanDerWaalsContact O-N 3.13Å; D995-K997 VanDerWaalsContact C-N 3.29Å; D995-K997 PolarHBondContact O-N 3.43Å; K997-M1000 PolarHBondContact O-N 2.9Å; K997-A1001 WeakPolarHBondContact O-CB 3.35Å; K997-A1001 PolarHBondContact O-N 3.02Å |
| 998 | T | 91.5 | Very high | 88.4 | Confident | 84 Ų | 84 | 81.1 Ų | 81.1 | 52% | 0.515 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.4 | -48.9 | 179.6 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | S994 D995 M1000 A1001 M1002 | S994-T998 PolarHBondContact O-N 3.16Å; S994-T998 PolarHBondContact O-OG1 3.15Å; D995-T998 PolarHBondContact O-N 2.77Å; T998-M1000 PolarHBondContact O-N 3.31Å; T998-A1001 PolarHBondContact O-N 3.35Å; T998-M1002 WeakPolarHBondContact O-CG 3.3Å; T998-M1002 PolarHBondContact O-N 2.92Å |
| 999 | R | 91.7 | Very high | 87.7 | Confident | 104 Ų | 104 | 85.9 Ų | 85.9 | 39% | 0.392 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 177 | -68.2 | 171.9 | -171 | -101.7 | -1.8 | 111.5 | D995 M1002 F1003 F1027 | D995-R999 WeakPolarHBondContact O-CB 3.31Å; D995-R999 VanDerWaalsContact O-CG 3.27Å; D995-R999 WeakPolarHBondContact O-CG 3.36Å; D995-R999 PolarHBondContact O-N 3.22Å; D995-R999 IonicContact OD2-CZ 3.3Å; D995-R999 IonicContact OD2-NE 2.83Å; D995-R999 PolarHBondContact OD2-NE 2.99Å; D995-R999 IonicContact OD2-NH2 3.72Å; D995-R999 PolarHBondContact OD2-NH2 3.49Å; R999-M1002 PolarHBondContact O-N 3.36Å; R999-F1003 WeakPolarHBondContact O-CB 3.47Å; R999-F1003 PolarHBondContact O-N 2.96Å; R999-F1027 HydrophobicContact CB-CZ 4.28Å |
| 1000 | M | 91.7 | Very high | 86.7 | Confident | 37 Ų | 37 | 88 Ų | 88 | 18% | 0.182 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 174.8 | 180 | 60.3 | 68.6 | 0 | 0 | 112.7 | A996 K997 T998 K1004 I1024 F1027 A1028 | A996-M1000 WeakPolarHBondContact O-CB 3.33Å; A996-M1000 PolarHBondContact O-N 3.38Å; K997-M1000 PolarHBondContact O-N 2.9Å; T998-M1000 PolarHBondContact O-N 3.31Å; M1000-K1004 HydrophobicContact CG-CD 4.26Å; M1000-K1004 WeakPolarHBondContact O-CB 3.39Å; M1000-K1004 WeakPolarHBondContact O-CG 3.48Å; M1000-K1004 PolarHBondContact O-N 2.92Å; M1000-K1004 HydrophobicContact SD-CD 4.27Å; M1000-K1004 HydrophobicContact SD-CG 4.34Å; M1000-I1024 HydrophobicContact CE-CG2 4.39Å; M1000-I1024 HydrophobicContact SD-CG2 3.96Å; M1000-F1027 HydrophobicContact CE-CD1 3.77Å; M1000-F1027 HydrophobicContact CE-CE1 4.34Å; M1000-F1027 HydrophobicContact SD-CD1 4.25Å; M1000-A1028 HydrophobicContact CE-CB 3.91Å |
| 1001 | A | 90.2 | Very high | 85.2 | Confident | 59 Ų | 59 | 85.8 Ų | 85.8 | 49% | 0.488 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.5 | -43.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K997 T998 K1004 K1005 | K997-A1001 WeakPolarHBondContact O-CB 3.35Å; K997-A1001 PolarHBondContact O-N 3.02Å; T998-A1001 PolarHBondContact O-N 3.35Å; A1001-K1004 PolarHBondContact O-N 2.87Å; A1001-K1005 WeakPolarHBondContact O-CB 3.27Å; A1001-K1005 PolarHBondContact O-N 3.33Å |
| 1002 | M | 88.3 | Confident | 83.5 | Confident | 127 Ų | 127 | 88 Ų | 88 | 63% | 0.626 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -65 | -41.1 | 174.7 | -66.9 | -132.6 | -73.9 | 0 | 0 | 112.2 | T998 R999 K1005 S1006 | T998-M1002 WeakPolarHBondContact O-CG 3.3Å; T998-M1002 PolarHBondContact O-N 2.92Å; R999-M1002 PolarHBondContact O-N 3.36Å; M1002-K1005 WeakPolarHBondContact O-CB 3.08Å; M1002-K1005 PolarHBondContact O-N 3.36Å; M1002-S1006 WeakPolarHBondContact O-CB 3.5Å; M1002-S1006 PolarHBondContact O-N 3.43Å |
| 1003 | F | 90.4 | Very high | 81.8 | Confident | 49 Ų | 49 | 91.4 Ų | 91.4 | 22% | 0.215 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 175 | -175.3 | -109.3 | 0 | 0 | 0 | 111.9 | R999 K1005 S1006 L1007 I1024 F1027 | R999-F1003 WeakPolarHBondContact O-CB 3.47Å; R999-F1003 PolarHBondContact O-N 2.96Å; F1003-K1005 VanDerWaalsContact C-N 3.31Å; F1003-K1005 PolarHBondContact O-N 2.86Å; F1003-S1006 WeakPolarHBondContact O-CB 3.46Å; F1003-S1006 PolarHBondContact O-N 3.18Å; F1003-L1007 HydrophobicContact CD1-CD1 3.94Å; F1003-L1007 HydrophobicContact CD1-CG 4.36Å; F1003-L1007 HydrophobicContact CE1-CD1 3.53Å; F1003-L1007 HydrophobicContact CE1-CD2 4.44Å; F1003-L1007 HydrophobicContact CE1-CG 4.02Å; F1003-L1007 HydrophobicContact CZ-CD1 4.07Å; F1003-L1007 HydrophobicContact CZ-CD2 4.14Å; F1003-L1007 HydrophobicContact CZ-CG 4.13Å; F1003-L1007 WeakPolarHBondContact O-CG 3.4Å; F1003-L1007 PolarHBondContact O-N 3.4Å; F1003-I1024 HydrophobicContact CE1-CG1 4.4Å; F1003-F1027 HydrophobicContact CB-CD1 3.97Å; F1003-F1027 HydrophobicContact CB-CD2 4.35Å; F1003-F1027 HydrophobicContact CB-CE1 3.74Å; F1003-F1027 HydrophobicContact CB-CE2 4.12Å; F1003-F1027 HydrophobicContact CB-CG 4.28Å; F1003-F1027 HydrophobicContact CB-CZ 3.81Å; F1003-F1027 HydrophobicContact CD1-CB 3.72Å; F1003-F1027 AromaticContact CD1-CD1 3.72Å; F1003-F1027 HydrophobicContact CD1-CD1 3.72Å; F1003-F1027 HydrophobicContact CD1-CD2 4.07Å; F1003-F1027 HydrophobicContact CD1-CE1 4.38Å; F1003-F1027 AromaticContact CD1-CG 3.55Å; F1003-F1027 HydrophobicContact CD1-CG 3.55Å; F1003-F1027 HydrophobicContact CD2-CD1 4.5Å; F1003-F1027 AromaticContact CD2-CD2 3.58Å; F1003-F1027 HydrophobicContact CD2-CD2 3.58Å; F1003-F1027 AromaticContact CD2-CE2 3.81Å; F1003-F1027 HydrophobicContact CD2-CE2 3.81Å; F1003-F1027 AromaticContact CD2-CG 3.95Å; F1003-F1027 HydrophobicContact CD2-CG 3.95Å; F1003-F1027 HydrophobicContact CD2-CZ 4.38Å; F1003-F1027 HydrophobicContact CE1-CB 3.41Å; F1003-F1027 VanDerWaalsContact CE1-CB 3.41Å; F1003-F1027 HydrophobicContact CE1-CD1 4.34Å; F1003-F1027 HydrophobicContact CE1-CD2 4.25Å; F1003-F1027 AromaticContact CE1-CG 3.75Å; F1003-F1027 HydrophobicContact CE1-CG 3.75Å; F1003-F1027 HydrophobicContact CE2-CB 4.3Å; F1003-F1027 AromaticContact CE2-CD2 3.79Å; F1003-F1027 HydrophobicContact CE2-CD2 3.79Å; F1003-F1027 HydrophobicContact CE2-CE2 4.41Å; F1003-F1027 HydrophobicContact CE2-CG 4.15Å; F1003-F1027 HydrophobicContact CG-CB 4.28Å; F1003-F1027 AromaticContact CG-CD1 3.81Å; F1003-F1027 HydrophobicContact CG-CD1 3.81Å; F1003-F1027 AromaticContact CG-CD2 3.73Å; F1003-F1027 HydrophobicContact CG-CD2 3.73Å; F1003-F1027 HydrophobicContact CG-CE1 4.05Å; F1003-F1027 AromaticContact CG-CE2 3.96Å; F1003-F1027 HydrophobicContact CG-CE2 3.96Å; F1003-F1027 AromaticContact CG-CG 3.65Å; F1003-F1027 HydrophobicContact CG-CG 3.65Å; F1003-F1027 HydrophobicContact CG-CZ 4.12Å; F1003-F1027 HydrophobicContact CZ-CB 3.74Å; F1003-F1027 HydrophobicContact CZ-CD2 4.12Å; F1003-F1027 HydrophobicContact CZ-CG 4.05Å |
| 1004 | K | 87.3 | Confident | 80.6 | Confident | 83 Ų | 83 | 88.9 Ų | 88.9 | 36% | 0.361 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62 | -35.3 | 173.5 | -74.4 | 172.5 | 176.9 | 176.2 | 0 | 112.8 | M1000 A1001 R1008 I1024 | M1000-K1004 HydrophobicContact CG-CD 4.26Å; M1000-K1004 WeakPolarHBondContact O-CB 3.39Å; M1000-K1004 WeakPolarHBondContact O-CG 3.48Å; M1000-K1004 PolarHBondContact O-N 2.92Å; M1000-K1004 HydrophobicContact SD-CD 4.27Å; M1000-K1004 HydrophobicContact SD-CG 4.34Å; A1001-K1004 PolarHBondContact O-N 2.87Å; K1004-R1008 WeakPolarHBondContact O-CG 3.36Å; K1004-R1008 PolarHBondContact O-N 2.84Å; K1004-I1024 HydrophobicContact CG-CD1 4.21Å; K1004-I1024 HydrophobicContact CG-CG1 4.46Å |
| 1005 | K | 85.9 | Confident | 79.5 | Confident | 144 Ų | 144 | 88.4 Ų | 88.4 | 63% | 0.626 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.4 | -42.4 | 173 | -168.4 | 179.3 | -179.7 | -176.2 | 0 | 111.4 | A1001 M1002 F1003 R1008 I1009 | A1001-K1005 WeakPolarHBondContact O-CB 3.27Å; A1001-K1005 PolarHBondContact O-N 3.33Å; M1002-K1005 WeakPolarHBondContact O-CB 3.08Å; M1002-K1005 PolarHBondContact O-N 3.36Å; F1003-K1005 VanDerWaalsContact C-N 3.31Å; F1003-K1005 PolarHBondContact O-N 2.86Å; K1005-R1008 PolarHBondContact O-N 3.33Å; K1005-I1009 HydrophobicContact CG-CD1 4.2Å; K1005-I1009 WeakPolarHBondContact O-CD1 3.41Å; K1005-I1009 WeakPolarHBondContact O-CG1 3.44Å; K1005-I1009 PolarHBondContact O-N 2.9Å |
| 1006 | S | 84.2 | Confident | 78.7 | Confident | 61 Ų | 61 | 89 Ų | 89 | 43% | 0.427 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 176.9 | -176.5 | 0 | 0 | 0 | 0 | 112.5 | M1002 F1003 R1008 I1009 T1010 | M1002-S1006 WeakPolarHBondContact O-CB 3.5Å; M1002-S1006 PolarHBondContact O-N 3.43Å; F1003-S1006 WeakPolarHBondContact O-CB 3.46Å; F1003-S1006 PolarHBondContact O-N 3.18Å; S1006-R1008 VanDerWaalsContact C-N 3.34Å; S1006-R1008 PolarHBondContact O-N 3.3Å; S1006-I1009 PolarHBondContact O-N 2.8Å; S1006-I1009 VanDerWaalsContact O-N 3.12Å; S1006-T1010 WeakPolarHBondContact O-CB 3.48Å; S1006-T1010 PolarHBondContact O-N 3.25Å; S1006-T1010 PolarHBondContact O-OG1 2.82Å |
| 1007 | L | 81.9 | Confident | 77.9 | Confident | 13 Ų | 13 | 91.5 Ų | 91.5 | 7% | 0.068 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -55.8 | -48.1 | 174 | -75.5 | 175.9 | 0 | 0 | 0 | 111.3 | F1003 I1009 T1010 V1011 E1020 I1024 | F1003-L1007 HydrophobicContact CD1-CD1 3.94Å; F1003-L1007 HydrophobicContact CD1-CG 4.36Å; F1003-L1007 HydrophobicContact CE1-CD1 3.53Å; F1003-L1007 HydrophobicContact CE1-CD2 4.44Å; F1003-L1007 HydrophobicContact CE1-CG 4.02Å; F1003-L1007 HydrophobicContact CZ-CD1 4.07Å; F1003-L1007 HydrophobicContact CZ-CD2 4.14Å; F1003-L1007 HydrophobicContact CZ-CG 4.13Å; F1003-L1007 WeakPolarHBondContact O-CG 3.4Å; F1003-L1007 PolarHBondContact O-N 3.4Å; L1007-I1009 VanDerWaalsContact C-N 3.28Å; L1007-I1009 PolarHBondContact O-N 2.89Å; L1007-T1010 PolarHBondContact O-N 3.49Å; L1007-T1010 VanDerWaalsContact O-N 3.09Å; L1007-V1011 WeakPolarHBondContact O-CG2 3.43Å; L1007-V1011 PolarHBondContact O-N 2.58Å; L1007-E1020 HydrophobicContact CD1-CG 4.26Å; L1007-I1024 HydrophobicContact CD1-CD1 4.24Å; L1007-I1024 HydrophobicContact CD1-CG1 3.7Å |
| 1008 | R | 77.2 | Confident | 77.3 | Confident | 191 Ų | 191 | 88.6 Ų | 88.6 | 72% | 0.721 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.2 | -33 | 177.4 | -69.9 | 170.3 | -177.2 | -176.1 | -0.5 | 113.9 | K1004 K1005 S1006 | K1004-R1008 WeakPolarHBondContact O-CG 3.36Å; K1004-R1008 PolarHBondContact O-N 2.84Å; K1005-R1008 PolarHBondContact O-N 3.33Å; S1006-R1008 VanDerWaalsContact C-N 3.34Å; S1006-R1008 PolarHBondContact O-N 3.3Å |
| 1009 | I | 73.8 | Confident | 76.7 | Confident | 124 Ų | 124 | 89.2 Ų | 89.2 | 64% | 0.636 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -77.2 | -30.9 | 176.7 | -66.2 | 163.5 | 0 | 0 | 0 | 111.1 | K1005 S1006 L1007 | K1005-I1009 HydrophobicContact CG-CD1 4.2Å; K1005-I1009 WeakPolarHBondContact O-CD1 3.41Å; K1005-I1009 WeakPolarHBondContact O-CG1 3.44Å; K1005-I1009 PolarHBondContact O-N 2.9Å; S1006-I1009 PolarHBondContact O-N 2.8Å; S1006-I1009 VanDerWaalsContact O-N 3.12Å; L1007-I1009 VanDerWaalsContact C-N 3.28Å; L1007-I1009 PolarHBondContact O-N 2.89Å |
| 1010 | T | 68.6 | Low | 76 | Confident | 91 Ų | 91 | 87.8 Ų | 87.8 | 56% | 0.558 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -79 | -15.6 | -177.3 | -49.6 | 0 | 0 | 0 | 0 | 113.2 | S1006 L1007 V1012 | S1006-T1010 WeakPolarHBondContact O-CB 3.48Å; S1006-T1010 PolarHBondContact O-N 3.25Å; S1006-T1010 PolarHBondContact O-OG1 2.82Å; L1007-T1010 PolarHBondContact O-N 3.49Å; L1007-T1010 VanDerWaalsContact O-N 3.09Å; T1010-V1012 PolarHBondContact O-N 2.78Å |
| 1011 | V | 57.8 | Low | 75.6 | Confident | 81 Ų | 81 | 92.8 Ų | 92.8 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | trans | -77.2 | 87.9 | -179.7 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | L1007 | L1007-V1011 WeakPolarHBondContact O-CG2 3.43Å; L1007-V1011 PolarHBondContact O-N 2.58Å | ||
| 1012 | V | 54.3 | Low | 75.4 | Confident | 140 Ų | 140 | 93.5 Ų | 93.5 | 85% | 0.848 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -109.6 | -13 | 163.3 | -177 | 0 | 0 | 0 | 0 | 111.4 | T1010 | T1010-V1012 PolarHBondContact O-N 2.78Š|
| 1013 | A | 54.4 | Low | 75.2 | Confident | 78 Ų | 78 | 92.9 Ų | 92.9 | 65% | 0.645 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -139.5 | 112.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1015 | A1013-M1015 PolarHBondContact O-N 2.88Š|
| 1014 | A | 63.2 | Low | 75.1 | Confident | 103 Ų | 103 | 92.3 Ų | 92.3 | 85% | 0.851 | 49% | 0.486 | S | S | * | . | trans | 36.2 | 45.9 | 148.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1015 | M | 65.1 | Low | 75.2 | Confident | 51 Ų | 51 | 94.3 Ų | 94.3 | 25% | 0.251 | 50% | 0.495 | S | S | . | . | trans | -81.8 | 139.1 | 163.2 | -74.9 | -167 | 68.4 | 0 | 0 | 111.2 | A1013 Q1019 R1023 | A1013-M1015 PolarHBondContact O-N 2.88Å; M1015-Q1019 HydrophobicContact CE-CB 3.67Å; M1015-R1023 HydrophobicContact CE-CG 4.43Å; M1015-R1023 PolarHBondContact SD-NH1 3.36Å | ||
| 1016 | T | 73.8 | Confident | 75.4 | Confident | 65 Ų | 65 | 92.7 Ų | 92.7 | 40% | 0.399 | 49% | 0.489 | S | S | . | . | trans | -84.3 | 156.2 | 173.6 | 69.9 | 0 | 0 | 0 | 0 | 111.7 | D1018 Q1019 E1020 | T1016-D1018 PolarHBondContact O-N 2.66Å; T1016-D1018 VanDerWaalsContact O-N 3.13Å; T1016-Q1019 WeakPolarHBondContact O-CB 3.36Å; T1016-Q1019 PolarHBondContact O-N 3.32Å; T1016-Q1019 WeakPolarHBondContact OG1-CG 3.46Å; T1016-Q1019 PolarHBondContact OG1-N 3.13Å; T1016-E1020 PolarHBondContact O-N 2.87Å | ||
| 1017 | P | 73.9 | Confident | 75.7 | Confident | 77 Ų | 77 | 91.8 Ų | 91.8 | 50% | 0.5 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57 | -27.8 | 176.4 | -27.7 | 36.6 | 0 | 0 | 0 | 114.2 | R1021 | P1017-R1021 WeakPolarHBondContact O-CB 3.28Å; P1017-R1021 WeakPolarHBondContact O-CG 3.48Å; P1017-R1021 PolarHBondContact O-N 2.85Å |
| 1018 | D | 77.3 | Confident | 76 | Confident | 98 Ų | 98 | 93.1 Ų | 93.1 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -74.3 | -35.1 | 174.5 | -66.9 | -66.1 | 0 | 0 | 0 | 113 | T1016 R1021 E1022 | T1016-D1018 PolarHBondContact O-N 2.66Å; T1016-D1018 VanDerWaalsContact O-N 3.13Å; D1018-R1021 PolarHBondContact O-N 3.41Å; D1018-R1021 IonicContact OD1-CZ 3.49Å; D1018-R1021 VanDerWaalsContact OD1-CZ 3.25Å; D1018-R1021 IonicContact OD1-NE 3.19Å; D1018-R1021 PolarHBondContact OD1-NE 2.63Å; D1018-R1021 IonicContact OD1-NH2 3.5Å; D1018-R1021 PolarHBondContact OD1-NH2 3.46Å; D1018-R1021 IonicContact OD2-NH2 2.68Å; D1018-R1021 PolarHBondContact OD2-NH2 3.02Å; D1018-E1022 WeakPolarHBondContact O-CB 3.2Å; D1018-E1022 PolarHBondContact O-N 3.38Å |
| 1019 | Q | 79 | Confident | 76.7 | Confident | 97 Ų | 97 | 86.7 Ų | 86.7 | 45% | 0.453 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.6 | -33.6 | 172.8 | -67.2 | 166.5 | -11.7 | 0 | 0 | 111.8 | M1015 T1016 R1023 | M1015-Q1019 HydrophobicContact CE-CB 3.67Å; T1016-Q1019 WeakPolarHBondContact O-CB 3.36Å; T1016-Q1019 PolarHBondContact O-N 3.32Å; T1016-Q1019 WeakPolarHBondContact OG1-CG 3.46Å; T1016-Q1019 PolarHBondContact OG1-N 3.13Å; Q1019-R1023 PolarHBondContact O-N 3.42Å; Q1019-R1023 VanDerWaalsContact O-N 3.08Å |
| 1020 | E | 78.1 | Confident | 77.5 | Confident | 74 Ų | 74 | 87.3 Ų | 87.3 | 35% | 0.346 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.5 | -48.8 | 170.7 | -167.4 | -170.3 | 178.7 | 0 | 0 | 110.9 | L1007 T1016 E1022 R1023 I1024 | L1007-E1020 HydrophobicContact CD1-CG 4.26Å; T1016-E1020 PolarHBondContact O-N 2.87Å; E1020-E1022 VanDerWaalsContact C-N 3.34Å; E1020-E1022 PolarHBondContact O-N 2.97Å; E1020-R1023 PolarHBondContact O-N 3.41Å; E1020-I1024 HydrophobicContact CG-CD1 4Å; E1020-I1024 WeakPolarHBondContact O-CG1 3.43Å; E1020-I1024 PolarHBondContact O-N 2.84Å |
| 1021 | R | 83.3 | Confident | 78.5 | Confident | 143 Ų | 143 | 83.8 Ų | 83.8 | 54% | 0.54 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -54.6 | -47.8 | 175.1 | -80.3 | -175.5 | -80.3 | -91.7 | 13 | 112.1 | P1017 D1018 I1024 K1025 | P1017-R1021 WeakPolarHBondContact O-CB 3.28Å; P1017-R1021 WeakPolarHBondContact O-CG 3.48Å; P1017-R1021 PolarHBondContact O-N 2.85Å; D1018-R1021 PolarHBondContact O-N 3.41Å; D1018-R1021 IonicContact OD1-CZ 3.49Å; D1018-R1021 VanDerWaalsContact OD1-CZ 3.25Å; D1018-R1021 IonicContact OD1-NE 3.19Å; D1018-R1021 PolarHBondContact OD1-NE 2.63Å; D1018-R1021 IonicContact OD1-NH2 3.5Å; D1018-R1021 PolarHBondContact OD1-NH2 3.46Å; D1018-R1021 IonicContact OD2-NH2 2.68Å; D1018-R1021 PolarHBondContact OD2-NH2 3.02Å; R1021-I1024 PolarHBondContact O-N 2.91Å; R1021-K1025 WeakPolarHBondContact O-CB 3.03Å; R1021-K1025 PolarHBondContact O-N 2.93Å |
| 1022 | E | 86 | Confident | 80 | Confident | 73 Ų | 73 | 86 Ų | 86 | 34% | 0.341 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.9 | -37.5 | -177.6 | -173.3 | 55.6 | -147.5 | 0 | 0 | 112 | D1018 E1020 K1025 Q1026 | D1018-E1022 WeakPolarHBondContact O-CB 3.2Å; D1018-E1022 PolarHBondContact O-N 3.38Å; E1020-E1022 VanDerWaalsContact C-N 3.34Å; E1020-E1022 PolarHBondContact O-N 2.97Å; E1022-K1025 PolarHBondContact O-N 2.83Å; E1022-K1025 IonicContact OE1-NZ 2.74Å; E1022-K1025 PolarHBondContact OE1-NZ 2.99Å; E1022-K1025 WeakPolarHBondContact OE2-CD 3.43Å; E1022-K1025 IonicContact OE2-NZ 2.74Å; E1022-K1025 PolarHBondContact OE2-NZ 3.35Å; E1022-Q1026 VanDerWaalsContact O-CG 3.28Å; E1022-Q1026 WeakPolarHBondContact O-CG 3.37Å; E1022-Q1026 PolarHBondContact O-N 2.96Å; E1022-Q1026 PolarHBondContact OE1-NE2 3.46Å |
| 1023 | R | 84.7 | Confident | 81.8 | Confident | 115 Ų | 115 | 86.4 Ų | 86.4 | 43% | 0.434 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 171.3 | -77.1 | -164 | -174.8 | 163.4 | 2 | 113.1 | M1015 Q1019 E1020 K1025 Q1026 F1027 | M1015-R1023 HydrophobicContact CE-CG 4.43Å; M1015-R1023 PolarHBondContact SD-NH1 3.36Å; Q1019-R1023 PolarHBondContact O-N 3.42Å; Q1019-R1023 VanDerWaalsContact O-N 3.08Å; E1020-R1023 PolarHBondContact O-N 3.41Å; R1023-K1025 VanDerWaalsContact C-N 3.31Å; R1023-K1025 PolarHBondContact O-N 3.42Å; R1023-Q1026 PolarHBondContact O-N 2.79Å; R1023-F1027 WeakPolarHBondContact O-CB 3.4Å; R1023-F1027 PolarHBondContact O-N 3.26Å |
| 1024 | I | 86.8 | Confident | 83.6 | Confident | 36 Ų | 36 | 85.9 Ų | 85.9 | 19% | 0.185 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 174.7 | -71.3 | 167 | 0 | 0 | 0 | 110.8 | M1000 F1003 K1004 L1007 E1020 R1021 A1028 | M1000-I1024 HydrophobicContact CE-CG2 4.39Å; M1000-I1024 HydrophobicContact SD-CG2 3.96Å; F1003-I1024 HydrophobicContact CE1-CG1 4.4Å; K1004-I1024 HydrophobicContact CG-CD1 4.21Å; K1004-I1024 HydrophobicContact CG-CG1 4.46Å; L1007-I1024 HydrophobicContact CD1-CD1 4.24Å; L1007-I1024 HydrophobicContact CD1-CG1 3.7Å; E1020-I1024 HydrophobicContact CG-CD1 4Å; E1020-I1024 WeakPolarHBondContact O-CG1 3.43Å; E1020-I1024 PolarHBondContact O-N 2.84Å; R1021-I1024 PolarHBondContact O-N 2.91Å; I1024-A1028 WeakPolarHBondContact O-CB 3.37Å; I1024-A1028 PolarHBondContact O-N 2.92Å |
| 1025 | K | 90.5 | Very high | 84.9 | Confident | 126 Ų | 126 | 82.3 Ų | 82.3 | 55% | 0.548 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 175.8 | 176.1 | 177.4 | 150.8 | -135 | 0 | 112.5 | R1021 E1022 R1023 A1028 A1029 | R1021-K1025 WeakPolarHBondContact O-CB 3.03Å; R1021-K1025 PolarHBondContact O-N 2.93Å; E1022-K1025 PolarHBondContact O-N 2.83Å; E1022-K1025 IonicContact OE1-NZ 2.74Å; E1022-K1025 PolarHBondContact OE1-NZ 2.99Å; E1022-K1025 WeakPolarHBondContact OE2-CD 3.43Å; E1022-K1025 IonicContact OE2-NZ 2.74Å; E1022-K1025 PolarHBondContact OE2-NZ 3.35Å; R1023-K1025 VanDerWaalsContact C-N 3.31Å; R1023-K1025 PolarHBondContact O-N 3.42Å; K1025-A1028 PolarHBondContact O-N 3.34Å; K1025-A1029 PolarHBondContact O-N 2.85Å |
| 1026 | Q | 89.4 | Confident | 86.2 | Confident | 110 Ų | 110 | 87 Ų | 87 | 51% | 0.514 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 174.9 | -72.4 | 168.8 | 7.9 | 0 | 0 | 111.9 | E1022 R1023 A1028 A1029 Q1030 | E1022-Q1026 VanDerWaalsContact O-CG 3.28Å; E1022-Q1026 WeakPolarHBondContact O-CG 3.37Å; E1022-Q1026 PolarHBondContact O-N 2.96Å; E1022-Q1026 PolarHBondContact OE1-NE2 3.46Å; R1023-Q1026 PolarHBondContact O-N 2.79Å; Q1026-A1028 PolarHBondContact O-N 3.04Å; Q1026-A1029 PolarHBondContact O-N 3.16Å; Q1026-Q1030 WeakPolarHBondContact O-CB 3.46Å; Q1026-Q1030 PolarHBondContact O-N 3.04Å |
| 1027 | F | 91.1 | Very high | 87 | Confident | 41 Ų | 41 | 88.4 Ų | 88.4 | 18% | 0.18 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 174.1 | -177.1 | -95.7 | 0 | 0 | 0 | 112.3 | R999 M1000 F1003 R1023 Q1030 E1031 | R999-F1027 HydrophobicContact CB-CZ 4.28Å; M1000-F1027 HydrophobicContact CE-CD1 3.77Å; M1000-F1027 HydrophobicContact CE-CE1 4.34Å; M1000-F1027 HydrophobicContact SD-CD1 4.25Å; F1003-F1027 HydrophobicContact CB-CD1 3.97Å; F1003-F1027 HydrophobicContact CB-CD2 4.35Å; F1003-F1027 HydrophobicContact CB-CE1 3.74Å; F1003-F1027 HydrophobicContact CB-CE2 4.12Å; F1003-F1027 HydrophobicContact CB-CG 4.28Å; F1003-F1027 HydrophobicContact CB-CZ 3.81Å; F1003-F1027 HydrophobicContact CD1-CB 3.72Å; F1003-F1027 AromaticContact CD1-CD1 3.72Å; F1003-F1027 HydrophobicContact CD1-CD1 3.72Å; F1003-F1027 HydrophobicContact CD1-CD2 4.07Å; F1003-F1027 HydrophobicContact CD1-CE1 4.38Å; F1003-F1027 AromaticContact CD1-CG 3.55Å; F1003-F1027 HydrophobicContact CD1-CG 3.55Å; F1003-F1027 HydrophobicContact CD2-CD1 4.5Å; F1003-F1027 AromaticContact CD2-CD2 3.58Å; F1003-F1027 HydrophobicContact CD2-CD2 3.58Å; F1003-F1027 AromaticContact CD2-CE2 3.81Å; F1003-F1027 HydrophobicContact CD2-CE2 3.81Å; F1003-F1027 AromaticContact CD2-CG 3.95Å; F1003-F1027 HydrophobicContact CD2-CG 3.95Å; F1003-F1027 HydrophobicContact CD2-CZ 4.38Å; F1003-F1027 HydrophobicContact CE1-CB 3.41Å; F1003-F1027 VanDerWaalsContact CE1-CB 3.41Å; F1003-F1027 HydrophobicContact CE1-CD1 4.34Å; F1003-F1027 HydrophobicContact CE1-CD2 4.25Å; F1003-F1027 AromaticContact CE1-CG 3.75Å; F1003-F1027 HydrophobicContact CE1-CG 3.75Å; F1003-F1027 HydrophobicContact CE2-CB 4.3Å; F1003-F1027 AromaticContact CE2-CD2 3.79Å; F1003-F1027 HydrophobicContact CE2-CD2 3.79Å; F1003-F1027 HydrophobicContact CE2-CE2 4.41Å; F1003-F1027 HydrophobicContact CE2-CG 4.15Å; F1003-F1027 HydrophobicContact CG-CB 4.28Å; F1003-F1027 AromaticContact CG-CD1 3.81Å; F1003-F1027 HydrophobicContact CG-CD1 3.81Å; F1003-F1027 AromaticContact CG-CD2 3.73Å; F1003-F1027 HydrophobicContact CG-CD2 3.73Å; F1003-F1027 HydrophobicContact CG-CE1 4.05Å; F1003-F1027 AromaticContact CG-CE2 3.96Å; F1003-F1027 HydrophobicContact CG-CE2 3.96Å; F1003-F1027 AromaticContact CG-CG 3.65Å; F1003-F1027 HydrophobicContact CG-CG 3.65Å; F1003-F1027 HydrophobicContact CG-CZ 4.12Å; F1003-F1027 HydrophobicContact CZ-CB 3.74Å; F1003-F1027 HydrophobicContact CZ-CD2 4.12Å; F1003-F1027 HydrophobicContact CZ-CG 4.05Å; R1023-F1027 WeakPolarHBondContact O-CB 3.4Å; R1023-F1027 PolarHBondContact O-N 3.26Å; F1027-Q1030 PolarHBondContact O-N 3.13Å; F1027-E1031 WeakPolarHBondContact O-CB 3.36Å; F1027-E1031 PolarHBondContact O-N 2.78Å |
| 1028 | A | 88.8 | Confident | 87.8 | Confident | 41 Ų | 41 | 88 Ų | 88 | 34% | 0.339 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1000 I1024 K1025 Q1026 Q1030 E1031 E1032 | M1000-A1028 HydrophobicContact CE-CB 3.91Å; I1024-A1028 WeakPolarHBondContact O-CB 3.37Å; I1024-A1028 PolarHBondContact O-N 2.92Å; K1025-A1028 PolarHBondContact O-N 3.34Å; Q1026-A1028 PolarHBondContact O-N 3.04Å; A1028-Q1030 VanDerWaalsContact C-N 3.33Å; A1028-Q1030 PolarHBondContact O-N 2.97Å; A1028-E1031 PolarHBondContact O-N 3.27Å; A1028-E1032 WeakPolarHBondContact O-CB 3.23Å; A1028-E1032 PolarHBondContact O-N 3.37Å |
| 1029 | A | 90.8 | Very high | 88.4 | Confident | 57 Ų | 57 | 88.8 Ų | 88.8 | 47% | 0.471 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.1 | -33.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1025 Q1026 K1033 | K1025-A1029 PolarHBondContact O-N 2.85Å; Q1026-A1029 PolarHBondContact O-N 3.16Å; A1029-K1033 WeakPolarHBondContact O-CB 3.44Å; A1029-K1033 PolarHBondContact O-N 2.8Å |
| 1030 | Q | 90.3 | Very high | 89 | Confident | 136 Ų | 136 | 88.8 Ų | 88.8 | 64% | 0.636 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -68.3 | -41.8 | 174.6 | -172.6 | 177 | 6.6 | 0 | 0 | 112 | Q1026 F1027 A1028 K1033 R1034 | Q1026-Q1030 WeakPolarHBondContact O-CB 3.46Å; Q1026-Q1030 PolarHBondContact O-N 3.04Å; F1027-Q1030 PolarHBondContact O-N 3.13Å; A1028-Q1030 VanDerWaalsContact C-N 3.33Å; A1028-Q1030 PolarHBondContact O-N 2.97Å; Q1030-K1033 PolarHBondContact O-N 3.49Å; Q1030-R1034 PolarHBondContact O-N 2.66Å |
| 1031 | E | 90 | Very high | 89.7 | Confident | 18 Ų | 18 | 91.4 Ų | 91.4 | 8% | 0.084 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.2 | -37 | 176.1 | 177.1 | 57 | -155.4 | 0 | 0 | 111.8 | A996 F1027 A1028 R1034 Q1035 | A996-E1031 HydrophobicContact CB-CG 4.4Å; F1027-E1031 WeakPolarHBondContact O-CB 3.36Å; F1027-E1031 PolarHBondContact O-N 2.78Å; A1028-E1031 PolarHBondContact O-N 3.27Å; E1031-R1034 WeakPolarHBondContact O-CB 3.38Å; E1031-R1034 PolarHBondContact O-N 3.25Å; E1031-R1034 IonicContact OE1-CZ 2.73Å; E1031-R1034 IonicContact OE1-NE 3.34Å; E1031-R1034 PolarHBondContact OE1-NE 2.81Å; E1031-R1034 IonicContact OE1-NH2 2.72Å; E1031-R1034 PolarHBondContact OE1-NH2 3.49Å; E1031-R1034 IonicContact OE2-CZ 3.52Å; E1031-R1034 IonicContact OE2-NE 2.79Å; E1031-R1034 PolarHBondContact OE2-NE 3.46Å; E1031-R1034 IonicContact OE2-NH2 3.59Å; E1031-Q1035 WeakPolarHBondContact O-CG 3.38Å; E1031-Q1035 PolarHBondContact O-N 3.36Å; E1031-Q1035 PolarHBondContact OE1-NE2 3.23Å |
| 1032 | E | 89.9 | Confident | 90 | Very high | 128 Ų | 128 | 86 Ų | 86 | 60% | 0.598 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.4 | -43 | 170.9 | -175.4 | 178 | -173.5 | 0 | 0 | 111.7 | A1028 R1034 Q1035 K1036 | A1028-E1032 WeakPolarHBondContact O-CB 3.23Å; A1028-E1032 PolarHBondContact O-N 3.37Å; E1032-R1034 VanDerWaalsContact C-N 3.34Å; E1032-R1034 PolarHBondContact O-N 3.02Å; E1032-Q1035 PolarHBondContact O-N 3.42Å; E1032-K1036 PolarHBondContact O-N 2.89Å |
| 1033 | K | 92.5 | Very high | 90.2 | Very high | 147 Ų | 147 | 87.2 Ų | 87.2 | 64% | 0.639 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.5 | -41.1 | 173.6 | -172.6 | 177.1 | 179.9 | -179.8 | 0 | 111.6 | A1029 Q1030 K1036 N1037 | A1029-K1033 WeakPolarHBondContact O-CB 3.44Å; A1029-K1033 PolarHBondContact O-N 2.8Å; Q1030-K1033 PolarHBondContact O-N 3.49Å; K1033-K1036 PolarHBondContact O-N 3.02Å; K1033-N1037 PolarHBondContact O-N 2.66Å; K1033-N1037 PolarHBondContact O-OD1 2.88Å |
| 1034 | R | 91.4 | Very high | 90.7 | Very high | 68 Ų | 68 | 86.3 Ų | 86.3 | 26% | 0.257 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -56.5 | -51 | 173.1 | -169.6 | -173.8 | 74.7 | 76 | 3.7 | 110.7 | Q1030 E1031 E1032 K1036 N1037 E1038 | Q1030-R1034 PolarHBondContact O-N 2.66Å; E1031-R1034 WeakPolarHBondContact O-CB 3.38Å; E1031-R1034 PolarHBondContact O-N 3.25Å; E1031-R1034 IonicContact OE1-CZ 2.73Å; E1031-R1034 IonicContact OE1-NE 3.34Å; E1031-R1034 PolarHBondContact OE1-NE 2.81Å; E1031-R1034 IonicContact OE1-NH2 2.72Å; E1031-R1034 PolarHBondContact OE1-NH2 3.49Å; E1031-R1034 IonicContact OE2-CZ 3.52Å; E1031-R1034 IonicContact OE2-NE 2.79Å; E1031-R1034 PolarHBondContact OE2-NE 3.46Å; E1031-R1034 IonicContact OE2-NH2 3.59Å; E1032-R1034 VanDerWaalsContact C-N 3.34Å; E1032-R1034 PolarHBondContact O-N 3.02Å; R1034-K1036 VanDerWaalsContact C-N 3.31Å; R1034-K1036 PolarHBondContact O-N 3.48Å; R1034-N1037 PolarHBondContact O-N 2.86Å; R1034-E1038 IonicContact CZ-OE1 3Å; R1034-E1038 IonicContact CZ-OE2 2.69Å; R1034-E1038 IonicContact NH1-OE1 3.19Å; R1034-E1038 PolarHBondContact NH1-OE1 3.32Å; R1034-E1038 IonicContact NH1-OE2 3.25Å; R1034-E1038 PolarHBondContact NH1-OE2 3.27Å; R1034-E1038 IonicContact NH2-OE2 3.6Å; R1034-E1038 VanDerWaalsContact O-CB 3.31Å; R1034-E1038 WeakPolarHBondContact O-CB 3.49Å; R1034-E1038 PolarHBondContact O-N 3.07Å |
| 1035 | Q | 91.2 | Very high | 91 | Very high | 28 Ų | 28 | 89.8 Ų | 89.8 | 13% | 0.131 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66.6 | -28.3 | -179.1 | -69.1 | 169.8 | 22.1 | 0 | 0 | 113.8 | Q992 E1031 E1032 R1039 | Q992-Q1035 HydrophobicContact CB-CG 4.11Å; Q992-Q1035 HydrophobicContact CG-CG 4.07Å; Q992-Q1035 PolarHBondContact NE2-O 2.95Å; Q992-Q1035 VanDerWaalsContact NE2-O 3.09Å; E1031-Q1035 WeakPolarHBondContact O-CG 3.38Å; E1031-Q1035 PolarHBondContact O-N 3.36Å; E1031-Q1035 PolarHBondContact OE1-NE2 3.23Å; E1032-Q1035 PolarHBondContact O-N 3.42Å; Q1035-R1039 WeakPolarHBondContact O-CB 3.36Å; Q1035-R1039 WeakPolarHBondContact O-CG 3.46Å; Q1035-R1039 PolarHBondContact O-N 3.28Å; Q1035-R1039 PolarHBondContact O-NE 3.42Å |
| 1036 | K | 91 | Very high | 91.2 | Very high | 148 Ų | 148 | 84 Ų | 84 | 64% | 0.643 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -70.6 | -46.1 | 172.4 | -172 | 176.5 | 179.6 | 179.3 | 0 | 111.1 | E1032 K1033 R1034 R1039 L1040 | E1032-K1036 PolarHBondContact O-N 2.89Å; K1033-K1036 PolarHBondContact O-N 3.02Å; R1034-K1036 VanDerWaalsContact C-N 3.31Å; R1034-K1036 PolarHBondContact O-N 3.48Å; K1036-R1039 PolarHBondContact O-N 2.88Å; K1036-L1040 PolarHBondContact O-N 2.91Å |
| 1037 | N | 91.5 | Very high | 91.4 | Very high | 95 Ų | 95 | 83 Ų | 83 | 51% | 0.508 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 177.2 | -72.9 | 20.2 | 0 | 0 | 0 | 111.9 | K1033 R1034 R1039 L1040 H1041 | K1033-N1037 PolarHBondContact O-N 2.66Å; K1033-N1037 PolarHBondContact O-OD1 2.88Å; R1034-N1037 PolarHBondContact O-N 2.86Å; N1037-R1039 PolarHBondContact O-N 3.43Å; N1037-L1040 PolarHBondContact O-N 3.43Å; N1037-H1041 PolarHBondContact O-N 3.35Å |
| 1038 | E | 90.9 | Very high | 91.6 | Very high | 68 Ų | 68 | 84.7 Ų | 84.7 | 32% | 0.318 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 177.5 | -173.3 | 173.4 | -117.3 | 0 | 0 | 112 | Q992 R1034 Q1042 | Q992-E1038 WeakPolarHBondContact CG-OE2 3.43Å; Q992-E1038 PolarHBondContact NE2-OE2 3.1Å; R1034-E1038 IonicContact CZ-OE1 3Å; R1034-E1038 IonicContact CZ-OE2 2.69Å; R1034-E1038 IonicContact NH1-OE1 3.19Å; R1034-E1038 PolarHBondContact NH1-OE1 3.32Å; R1034-E1038 IonicContact NH1-OE2 3.25Å; R1034-E1038 PolarHBondContact NH1-OE2 3.27Å; R1034-E1038 IonicContact NH2-OE2 3.6Å; R1034-E1038 VanDerWaalsContact O-CB 3.31Å; R1034-E1038 WeakPolarHBondContact O-CB 3.49Å; R1034-E1038 PolarHBondContact O-N 3.07Å; E1038-Q1042 PolarHBondContact O-N 2.85Å |
| 1039 | R | 89.2 | Confident | 92 | Very high | 115 Ų | 115 | 85.8 Ų | 85.8 | 43% | 0.434 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 172.8 | -79 | 177.5 | -70.6 | 164.1 | -6.8 | 113.2 | L988 Q1035 K1036 N1037 H1043 | L988-R1039 HydrophobicContact CD2-CG 3.93Å; Q1035-R1039 WeakPolarHBondContact O-CB 3.36Å; Q1035-R1039 WeakPolarHBondContact O-CG 3.46Å; Q1035-R1039 PolarHBondContact O-N 3.28Å; Q1035-R1039 PolarHBondContact O-NE 3.42Å; K1036-R1039 PolarHBondContact O-N 2.88Å; N1037-R1039 PolarHBondContact O-N 3.43Å; R1039-H1043 WeakPolarHBondContact O-CB 3.4Å; R1039-H1043 PolarHBondContact O-N 2.94Å |
| 1040 | L | 91.6 | Very high | 92.1 | Very high | 98 Ų | 98 | 84.7 Ų | 84.7 | 51% | 0.513 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 175.5 | -179.2 | 63.2 | 0 | 0 | 0 | 111.1 | K1036 N1037 H1043 Q1044 | K1036-L1040 PolarHBondContact O-N 2.91Å; N1037-L1040 PolarHBondContact O-N 3.43Å; L1040-H1043 WeakPolarHBondContact O-CB 3.42Å; L1040-H1043 PolarHBondContact O-N 2.97Å; L1040-H1043 VanDerWaalsContact O-N 3.16Å; L1040-Q1044 WeakPolarHBondContact O-CG 3.5Å; L1040-Q1044 PolarHBondContact O-N 3.13Å |
| 1041 | H | 91.9 | Very high | 92.4 | Very high | 128 Ų | 128 | 83.7 Ų | 83.7 | 59% | 0.593 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.2 | -41.4 | 177.2 | -177.5 | 59.7 | 0 | 0 | 0 | 112.3 | N1037 H1043 Q1044 K1045 | N1037-H1041 PolarHBondContact O-N 3.35Å; H1041-H1043 VanDerWaalsContact C-N 3.31Å; H1041-H1043 PolarHBondContact O-N 3.19Å; H1041-Q1044 PolarHBondContact O-N 3.21Å; H1041-K1045 PolarHBondContact O-N 3.36Å |
| 1042 | Q | 91.1 | Very high | 92.7 | Very high | 30 Ų | 30 | 87.4 Ų | 87.4 | 14% | 0.14 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 172.1 | -169 | -173.2 | 43.9 | 0 | 0 | 111.6 | E984 L988 E1038 K1045 H1046 | E984-Q1042 PolarHBondContact OE2-NE2 3.21Å; L988-Q1042 HydrophobicContact CD2-CB 4.27Å; E1038-Q1042 PolarHBondContact O-N 2.85Å; Q1042-K1045 PolarHBondContact O-N 2.97Å; Q1042-H1046 WeakPolarHBondContact CG-NE2 3.47Å; Q1042-H1046 PolarHBondContact NE2-NE2 3.09Å; Q1042-H1046 WeakPolarHBondContact O-CB 3.45Å; Q1042-H1046 VanDerWaalsContact O-CG 3.26Å; Q1042-H1046 PolarHBondContact O-N 2.58Å; Q1042-H1046 PolarHBondContact OE1-NE2 2.68Å |
| 1043 | H | 90.6 | Very high | 92.9 | Very high | 98 Ų | 98 | 82.5 Ų | 82.5 | 45% | 0.454 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 177.2 | -171.9 | 4.3 | 0 | 0 | 0 | 112.2 | R1039 L1040 H1041 H1046 E1047 | R1039-H1043 WeakPolarHBondContact O-CB 3.4Å; R1039-H1043 PolarHBondContact O-N 2.94Å; L1040-H1043 WeakPolarHBondContact O-CB 3.42Å; L1040-H1043 PolarHBondContact O-N 2.97Å; L1040-H1043 VanDerWaalsContact O-N 3.16Å; H1041-H1043 VanDerWaalsContact C-N 3.31Å; H1041-H1043 PolarHBondContact O-N 3.19Å; H1043-H1046 WeakPolarHBondContact O-CB 3.35Å; H1043-H1046 PolarHBondContact O-N 2.92Å; H1043-E1047 WeakPolarHBondContact O-CB 3.36Å; H1043-E1047 PolarHBondContact O-N 2.81Å |
| 1044 | Q | 94.2 | Very high | 92.9 | Very high | 97 Ų | 97 | 79.8 Ų | 79.8 | 45% | 0.453 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 175.2 | -70.5 | 174.3 | -39.7 | 0 | 0 | 112.1 | L1040 H1041 H1046 E1047 N1048 | L1040-Q1044 WeakPolarHBondContact O-CG 3.5Å; L1040-Q1044 PolarHBondContact O-N 3.13Å; H1041-Q1044 PolarHBondContact O-N 3.21Å; Q1044-H1046 VanDerWaalsContact C-N 3.35Å; Q1044-H1046 PolarHBondContact O-N 2.82Å; Q1044-E1047 PolarHBondContact O-N 2.9Å; Q1044-N1048 PolarHBondContact O-N 3.31Å; Q1044-N1048 PolarHBondContact O-OD1 2.91Å |
| 1045 | K | 93.9 | Very high | 93.1 | Very high | 109 Ų | 109 | 81.4 Ų | 81.4 | 47% | 0.474 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.9 | -47 | 173.4 | -176.1 | -177.7 | 178.8 | -175.5 | 0 | 111.2 | H1041 Q1042 E1047 N1048 Q1049 | H1041-K1045 PolarHBondContact O-N 3.36Å; Q1042-K1045 PolarHBondContact O-N 2.97Å; K1045-E1047 VanDerWaalsContact C-N 3.35Å; K1045-E1047 PolarHBondContact O-N 2.87Å; K1045-N1048 PolarHBondContact O-N 2.97Å; K1045-Q1049 WeakPolarHBondContact O-CB 3.27Å; K1045-Q1049 VanDerWaalsContact O-CG 3.29Å; K1045-Q1049 WeakPolarHBondContact O-CG 3.39Å; K1045-Q1049 PolarHBondContact O-N 3.41Å |
| 1046 | H | 94.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 85.1 Ų | 85.1 | 2% | 0.019 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61 | -40.7 | 176.5 | -77.1 | 166.7 | 0 | 0 | 0 | 112.8 | Q981 E984 R985 Q1042 H1043 Q1044 M1050 | Q981-H1046 HydrophobicContact CG-CB 4.28Å; Q981-H1046 VanDerWaalsContact CG-CD2 3.45Å; Q981-H1046 WeakPolarHBondContact CG-CD2 3.46Å; Q981-H1046 PolarHBondContact NE2-O 3.46Å; Q981-H1046 PolarHBondContact O-NE2 3.09Å; E984-H1046 WeakPolarHBondContact CB-NE2 3.43Å; R985-H1046 VanDerWaalsContact CG-CE1 3.48Å; R985-H1046 WeakPolarHBondContact CG-CE1 3.15Å; R985-H1046 WeakPolarHBondContact CG-NE2 3.34Å; R985-H1046 VanDerWaalsContact CZ-CE1 3.48Å; R985-H1046 PolarHBondContact N-NE2 3.27Å; R985-H1046 PolarHBondContact NE-CE1 3.37Å; R985-H1046 PolarHBondContact NE-ND1 3Å; Q1042-H1046 WeakPolarHBondContact CG-NE2 3.47Å; Q1042-H1046 PolarHBondContact NE2-NE2 3.09Å; Q1042-H1046 WeakPolarHBondContact O-CB 3.45Å; Q1042-H1046 VanDerWaalsContact O-CG 3.26Å; Q1042-H1046 PolarHBondContact O-N 2.58Å; Q1042-H1046 PolarHBondContact OE1-NE2 2.68Å; H1043-H1046 WeakPolarHBondContact O-CB 3.35Å; H1043-H1046 PolarHBondContact O-N 2.92Å; Q1044-H1046 VanDerWaalsContact C-N 3.35Å; Q1044-H1046 PolarHBondContact O-N 2.82Å; H1046-M1050 WeakPolarHBondContact O-CG 3.45Å; H1046-M1050 PolarHBondContact O-N 2.9Å; H1046-M1050 VanDerWaalsContact O-N 3.1Å |
| 1047 | E | 94 | Very high | 93.2 | Very high | 89 Ų | 89 | 78.3 Ų | 78.3 | 42% | 0.416 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 178.3 | -169 | -163 | 123.9 | 0 | 0 | 111.8 | H1043 Q1044 K1045 M1050 R1051 | H1043-E1047 WeakPolarHBondContact O-CB 3.36Å; H1043-E1047 PolarHBondContact O-N 2.81Å; Q1044-E1047 PolarHBondContact O-N 2.9Å; K1045-E1047 VanDerWaalsContact C-N 3.35Å; K1045-E1047 PolarHBondContact O-N 2.87Å; E1047-M1050 WeakPolarHBondContact O-CB 3.43Å; E1047-M1050 PolarHBondContact O-N 3.27Å; E1047-R1051 PolarHBondContact O-N 2.79Å; E1047-R1051 IonicContact OE1-CZ 3.91Å; E1047-R1051 IonicContact OE1-NH1 3.44Å; E1047-R1051 IonicContact OE1-NH2 3.43Å; E1047-R1051 PolarHBondContact OE1-NH2 3.05Å |
| 1048 | N | 95.4 | Very high | 93.3 | Very high | 77 Ų | 77 | 77.4 Ų | 77.4 | 41% | 0.412 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62 | -50 | 176.1 | -69.1 | -0.3 | 0 | 0 | 0 | 111.2 | Q1044 K1045 M1050 R1051 D1052 | Q1044-N1048 PolarHBondContact O-N 3.31Å; Q1044-N1048 PolarHBondContact O-OD1 2.91Å; K1045-N1048 PolarHBondContact O-N 2.97Å; N1048-M1050 PolarHBondContact O-N 2.9Å; N1048-M1050 VanDerWaalsContact O-N 3.17Å; N1048-R1051 WeakPolarHBondContact O-CA 3.29Å; N1048-R1051 WeakPolarHBondContact O-CB 3.46Å; N1048-R1051 PolarHBondContact O-N 3.48Å; N1048-R1051 PolarHBondContact OD1-NH1 3.41Å; N1048-D1052 PolarHBondContact O-N 2.98Å; N1048-D1052 VanDerWaalsContact O-OD2 3.13Å |
| 1049 | Q | 95.1 | Very high | 93.4 | Very high | 64 Ų | 64 | 76 Ų | 76 | 30% | 0.299 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55.9 | -35.7 | 176.3 | -73.1 | 175.6 | -40.5 | 0 | 0 | 113.3 | L977 K1045 L1053 | L977-Q1049 HydrophobicContact CD1-CB 4.49Å; L977-Q1049 HydrophobicContact CD2-CB 4.22Å; L977-Q1049 WeakPolarHBondContact CD2-O 3.28Å; K1045-Q1049 WeakPolarHBondContact O-CB 3.27Å; K1045-Q1049 VanDerWaalsContact O-CG 3.29Å; K1045-Q1049 WeakPolarHBondContact O-CG 3.39Å; K1045-Q1049 PolarHBondContact O-N 3.41Å; Q1049-L1053 WeakPolarHBondContact O-CB 3.3Å; Q1049-L1053 PolarHBondContact O-N 3.47Å |
| 1050 | M | 94.8 | Very high | 93.3 | Very high | 34 Ų | 34 | 72 Ų | 72 | 17% | 0.167 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.2 | -45.5 | 173.9 | -77.8 | -61.5 | -45 | 0 | 0 | 111.5 | I974 L977 K978 H1046 E1047 N1048 Q1054 | I974-M1050 HydrophobicContact CG2-CE 4.26Å; L977-M1050 HydrophobicContact CD2-CG 4.38Å; L977-M1050 HydrophobicContact CD2-SD 3.71Å; L977-M1050 HydrophobicContact CG-SD 3.99Å; K978-M1050 HydrophobicContact CG-CE 4.35Å; K978-M1050 HydrophobicContact CG-SD 4.04Å; H1046-M1050 WeakPolarHBondContact O-CG 3.45Å; H1046-M1050 PolarHBondContact O-N 2.9Å; H1046-M1050 VanDerWaalsContact O-N 3.1Å; E1047-M1050 WeakPolarHBondContact O-CB 3.43Å; E1047-M1050 PolarHBondContact O-N 3.27Å; N1048-M1050 PolarHBondContact O-N 2.9Å; N1048-M1050 VanDerWaalsContact O-N 3.17Å; M1050-Q1054 WeakPolarHBondContact O-CB 2.98Å; M1050-Q1054 PolarHBondContact O-N 3.05Å |
| 1051 | R | 96.1 | Very high | 93.4 | Very high | 114 Ų | 114 | 69.4 Ų | 69.4 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 178.6 | -173.7 | -174.2 | -63.3 | 103.2 | 1.5 | 111.8 | E1047 N1048 Q1054 L1055 | E1047-R1051 PolarHBondContact O-N 2.79Å; E1047-R1051 IonicContact OE1-CZ 3.91Å; E1047-R1051 IonicContact OE1-NH1 3.44Å; E1047-R1051 IonicContact OE1-NH2 3.43Å; E1047-R1051 PolarHBondContact OE1-NH2 3.05Å; N1048-R1051 WeakPolarHBondContact O-CA 3.29Å; N1048-R1051 WeakPolarHBondContact O-CB 3.46Å; N1048-R1051 PolarHBondContact O-N 3.48Å; N1048-R1051 PolarHBondContact OD1-NH1 3.41Å; R1051-Q1054 WeakPolarHBondContact O-CB 3.48Å; R1051-Q1054 PolarHBondContact O-N 2.95Å; R1051-L1055 HydrophobicContact CG-CD1 4.34Å; R1051-L1055 WeakPolarHBondContact O-CG 3.45Å; R1051-L1055 PolarHBondContact O-N 2.72Å |
| 1052 | D | 95.1 | Very high | 93.4 | Very high | 97 Ų | 97 | 70.6 Ų | 70.6 | 52% | 0.519 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | -178.4 | -55.4 | -26.9 | 0 | 0 | 0 | 110.8 | N1048 L1055 Q1056 | N1048-D1052 PolarHBondContact O-N 2.98Å; N1048-D1052 VanDerWaalsContact O-OD2 3.13Å; D1052-L1055 PolarHBondContact O-N 3.14Å; D1052-Q1056 PolarHBondContact O-N 3.09Å |
| 1053 | L | 94.3 | Very high | 93.4 | Very high | 25 Ų | 25 | 74 Ų | 74 | 13% | 0.131 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.9 | -36.8 | 174.3 | -178.5 | 62.3 | 0 | 0 | 0 | 112.6 | L973 I974 L977 Q1049 Q1056 C1057 | L973-L1053 HydrophobicContact CB-CD1 4.21Å; L973-L1053 HydrophobicContact CB-CD2 4.28Å; L973-L1053 HydrophobicContact CD1-CD1 4.37Å; I974-L1053 HydrophobicContact CG1-CD2 4.17Å; I974-L1053 HydrophobicContact CG1-CG 4.39Å; L977-L1053 HydrophobicContact CB-CD2 3.83Å; L977-L1053 HydrophobicContact CD2-CB 4.09Å; L977-L1053 HydrophobicContact CD2-CD2 3.59Å; L977-L1053 HydrophobicContact CG-CD2 4.36Å; Q1049-L1053 WeakPolarHBondContact O-CB 3.3Å; Q1049-L1053 PolarHBondContact O-N 3.47Å; L1053-Q1056 PolarHBondContact O-N 3.31Å; L1053-C1057 PolarHBondContact O-N 3.34Å; L1053-C1057 PolarHBondContact O-SG 3.09Å |
| 1054 | Q | 94.2 | Very high | 93.4 | Very high | 90 Ų | 90 | 70.2 Ų | 70.2 | 42% | 0.421 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.1 | -48.6 | 175.5 | -164.2 | 95.6 | 28.2 | 0 | 0 | 110.2 | M1050 R1051 Q1056 C1057 D1058 | M1050-Q1054 WeakPolarHBondContact O-CB 2.98Å; M1050-Q1054 PolarHBondContact O-N 3.05Å; R1051-Q1054 WeakPolarHBondContact O-CB 3.48Å; R1051-Q1054 PolarHBondContact O-N 2.95Å; Q1054-Q1056 VanDerWaalsContact C-N 3.29Å; Q1054-Q1056 PolarHBondContact O-N 3.06Å; Q1054-C1057 WeakPolarHBondContact O-CB 3.37Å; Q1054-C1057 PolarHBondContact O-N 3.46Å; Q1054-C1057 VanDerWaalsContact O-N 3.09Å; Q1054-D1058 VanDerWaalsContact O-CG 3.27Å; Q1054-D1058 PolarHBondContact O-N 2.97Å |
| 1055 | L | 94.7 | Very high | 93.3 | Very high | 101 Ų | 101 | 68.7 Ų | 68.7 | 53% | 0.529 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.6 | -35.8 | 175.9 | -70.4 | 170 | 0 | 0 | 0 | 112.7 | R1051 D1052 S1059 | R1051-L1055 HydrophobicContact CG-CD1 4.34Å; R1051-L1055 WeakPolarHBondContact O-CG 3.45Å; R1051-L1055 PolarHBondContact O-N 2.72Å; D1052-L1055 PolarHBondContact O-N 3.14Å; L1055-S1059 PolarHBondContact O-N 2.94Å |
| 1056 | Q | 92.6 | Very high | 93.2 | Very high | 107 Ų | 107 | 69 Ų | 69 | 50% | 0.5 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 172.6 | -172.8 | -178 | 5 | 0 | 0 | 111.5 | D1052 L1053 Q1054 D1058 S1059 N1060 | D1052-Q1056 PolarHBondContact O-N 3.09Å; L1053-Q1056 PolarHBondContact O-N 3.31Å; Q1054-Q1056 VanDerWaalsContact C-N 3.29Å; Q1054-Q1056 PolarHBondContact O-N 3.06Å; Q1056-D1058 VanDerWaalsContact C-N 3.29Å; Q1056-D1058 PolarHBondContact O-N 3.39Å; Q1056-S1059 WeakPolarHBondContact O-CB 3.47Å; Q1056-S1059 PolarHBondContact O-N 2.81Å; Q1056-S1059 VanDerWaalsContact O-N 3.09Å; Q1056-N1060 PolarHBondContact O-N 2.83Å; Q1056-N1060 PolarHBondContact O-OD1 3.13Å |
| 1057 | C | 92.3 | Very high | 92.9 | Very high | 5 Ų | 5 | 73.3 Ų | 73.3 | 3% | 0.034 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.7 | -42.9 | 176.3 | -65.6 | 0 | 0 | 0 | 0 | 111.5 | N970 L1053 Q1054 S1059 N1060 I1061 | N970-C1057 HydrophobicContact CB-CB 3.86Å; N970-C1057 WeakPolarHBondContact ND2-CA 3.41Å; N970-C1057 PolarHBondContact ND2-O 3.3Å; L1053-C1057 PolarHBondContact O-N 3.34Å; L1053-C1057 PolarHBondContact O-SG 3.09Å; Q1054-C1057 WeakPolarHBondContact O-CB 3.37Å; Q1054-C1057 PolarHBondContact O-N 3.46Å; Q1054-C1057 VanDerWaalsContact O-N 3.09Å; C1057-S1059 VanDerWaalsContact C-N 3.29Å; C1057-S1059 PolarHBondContact O-N 3.33Å; C1057-N1060 PolarHBondContact O-N 2.93Å; C1057-I1061 WeakPolarHBondContact O-CG1 3.38Å; C1057-I1061 PolarHBondContact O-N 3.35Å |
| 1058 | D | 93.3 | Very high | 92.8 | Very high | 76 Ų | 76 | 69.2 Ų | 69.2 | 41% | 0.406 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.4 | -23.9 | 177.4 | -61.1 | -23.5 | 0 | 0 | 0 | 112.4 | Q1054 Q1056 R1062 | Q1054-D1058 VanDerWaalsContact O-CG 3.27Å; Q1054-D1058 PolarHBondContact O-N 2.97Å; Q1056-D1058 VanDerWaalsContact C-N 3.29Å; Q1056-D1058 PolarHBondContact O-N 3.39Å; D1058-R1062 WeakPolarHBondContact O-CG 3.36Å; D1058-R1062 PolarHBondContact O-N 2.92Å; D1058-R1062 PolarHBondContact O-NE 3.45Å |
| 1059 | S | 93.3 | Very high | 92.6 | Very high | 38 Ų | 38 | 69.9 Ų | 69.9 | 27% | 0.266 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.8 | -52.3 | 168.8 | -150.4 | 0 | 0 | 0 | 0 | 111 | L1055 Q1056 C1057 I1061 R1062 E1063 | L1055-S1059 PolarHBondContact O-N 2.94Å; Q1056-S1059 WeakPolarHBondContact O-CB 3.47Å; Q1056-S1059 PolarHBondContact O-N 2.81Å; Q1056-S1059 VanDerWaalsContact O-N 3.09Å; C1057-S1059 VanDerWaalsContact C-N 3.29Å; C1057-S1059 PolarHBondContact O-N 3.33Å; S1059-I1061 PolarHBondContact O-N 3.25Å; S1059-I1061 VanDerWaalsContact O-N 3.13Å; S1059-R1062 PolarHBondContact O-N 3.34Å; S1059-E1063 VanDerWaalsContact CB-OE1 3.3Å; S1059-E1063 WeakPolarHBondContact CB-OE1 3.37Å; S1059-E1063 WeakPolarHBondContact O-CG 3.41Å; S1059-E1063 PolarHBondContact O-N 2.93Å; S1059-E1063 PolarHBondContact OG-OE1 3.26Å |
| 1060 | N | 87.4 | Confident | 92.5 | Very high | 31 Ų | 31 | 71.1 Ų | 71.1 | 17% | 0.166 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -52 | -41 | 179.7 | -58.5 | -16.9 | 0 | 0 | 0 | 112.5 | M966 N970 Q1056 C1057 L1064 | M966-N1060 HydrophobicContact CE-CB 4.37Å; M966-N1060 HydrophobicContact CG-CB 4.31Å; M966-N1060 HydrophobicContact SD-CB 3.76Å; N970-N1060 PolarHBondContact OD1-ND2 2.96Å; Q1056-N1060 PolarHBondContact O-N 2.83Å; Q1056-N1060 PolarHBondContact O-OD1 3.13Å; C1057-N1060 PolarHBondContact O-N 2.93Å; N1060-L1064 WeakPolarHBondContact O-CB 3.43Å; N1060-L1064 PolarHBondContact O-N 3.43Å; N1060-L1064 VanDerWaalsContact O-N 3.13Å |
| 1061 | I | 92.3 | Very high | 92.3 | Very high | 43 Ų | 43 | 72.7 Ų | 72.7 | 22% | 0.221 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -70.4 | -41.6 | 178.3 | -65.4 | -71.7 | 0 | 0 | 0 | 111.8 | M966 Q967 C1057 S1059 L1064 Q1065 | M966-I1061 HydrophobicContact CB-CD1 3.96Å; M966-I1061 HydrophobicContact CG-CD1 3.56Å; M966-I1061 HydrophobicContact CG-CG1 4.31Å; Q967-I1061 HydrophobicContact CG-CD1 3.95Å; C1057-I1061 WeakPolarHBondContact O-CG1 3.38Å; C1057-I1061 PolarHBondContact O-N 3.35Å; S1059-I1061 PolarHBondContact O-N 3.25Å; S1059-I1061 VanDerWaalsContact O-N 3.13Å; I1061-L1064 PolarHBondContact O-N 2.91Å; I1061-Q1065 WeakPolarHBondContact O-CB 3.45Å; I1061-Q1065 PolarHBondContact O-N 3.24Å |
| 1062 | R | 93.4 | Very high | 92.1 | Very high | 154 Ų | 154 | 68.8 Ų | 68.8 | 58% | 0.581 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -68.4 | -39.6 | 178 | -76.6 | 177.7 | -67.7 | 152.2 | 4.3 | 112.3 | D1058 S1059 Q1065 Q1066 | D1058-R1062 WeakPolarHBondContact O-CG 3.36Å; D1058-R1062 PolarHBondContact O-N 2.92Å; D1058-R1062 PolarHBondContact O-NE 3.45Å; S1059-R1062 PolarHBondContact O-N 3.34Å; R1062-Q1065 PolarHBondContact O-N 2.93Å; R1062-Q1066 WeakPolarHBondContact O-CB 3.49Å; R1062-Q1066 PolarHBondContact O-N 2.96Å |
| 1063 | E | 91.1 | Very high | 92 | Very high | 100 Ų | 100 | 70.1 Ų | 70.1 | 47% | 0.467 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 175 | -71.3 | 163.5 | -129 | 0 | 0 | 111 | S1059 Q1066 L1067 | S1059-E1063 VanDerWaalsContact CB-OE1 3.3Å; S1059-E1063 WeakPolarHBondContact CB-OE1 3.37Å; S1059-E1063 WeakPolarHBondContact O-CG 3.41Å; S1059-E1063 PolarHBondContact O-N 2.93Å; S1059-E1063 PolarHBondContact OG-OE1 3.26Å; E1063-Q1066 PolarHBondContact O-N 2.98Å; E1063-L1067 WeakPolarHBondContact O-CG 3.23Å; E1063-L1067 PolarHBondContact O-N 3.47Å |
| 1064 | L | 89.4 | Confident | 92 | Very high | 20 Ų | 20 | 74.2 Ų | 74.2 | 11% | 0.105 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 174.5 | -177.5 | 60.8 | 0 | 0 | 0 | 112.3 | E962 M963 M966 N1060 I1061 L1067 Q1068 | E962-L1064 HydrophobicContact CB-CD1 4.21Å; E962-L1064 HydrophobicContact CB-CD2 4.21Å; M963-L1064 HydrophobicContact CG-CD2 4.09Å; M966-L1064 HydrophobicContact CB-CD2 3.82Å; M966-L1064 HydrophobicContact CE-CD2 4.35Å; M966-L1064 HydrophobicContact CG-CD2 4.23Å; N1060-L1064 WeakPolarHBondContact O-CB 3.43Å; N1060-L1064 PolarHBondContact O-N 3.43Å; N1060-L1064 VanDerWaalsContact O-N 3.13Å; I1061-L1064 PolarHBondContact O-N 2.91Å; L1064-L1067 PolarHBondContact O-N 3.36Å; L1064-Q1068 PolarHBondContact O-N 3.22Å |
| 1065 | Q | 92.3 | Very high | 91.9 | Very high | 65 Ų | 65 | 71.1 Ų | 71.1 | 30% | 0.304 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.5 | -36.5 | 175.9 | -172 | 61.8 | 52 | 0 | 0 | 112.5 | H959 I1061 R1062 Q1068 N1069 | H959-Q1065 PolarHBondContact NE2-OE1 2.7Å; I1061-Q1065 WeakPolarHBondContact O-CB 3.45Å; I1061-Q1065 PolarHBondContact O-N 3.24Å; R1062-Q1065 PolarHBondContact O-N 2.93Å; Q1065-Q1068 PolarHBondContact O-N 2.97Å; Q1065-N1069 PolarHBondContact NE2-OD1 2.86Å; Q1065-N1069 PolarHBondContact O-N 3.33Å; Q1065-N1069 PolarHBondContact O-OD1 3.48Å |
| 1066 | Q | 92 | Very high | 91.8 | Very high | 115 Ų | 115 | 70.2 Ų | 70.2 | 54% | 0.537 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63 | -48.9 | 173.6 | -178.7 | -176.7 | -29.7 | 0 | 0 | 110.8 | R1062 E1063 Q1068 N1069 E1070 | R1062-Q1066 WeakPolarHBondContact O-CB 3.49Å; R1062-Q1066 PolarHBondContact O-N 2.96Å; E1063-Q1066 PolarHBondContact O-N 2.98Å; Q1066-Q1068 PolarHBondContact O-N 3.24Å; Q1066-N1069 WeakPolarHBondContact O-CB 3.34Å; Q1066-N1069 PolarHBondContact O-N 2.93Å; Q1066-E1070 WeakPolarHBondContact CG-OE1 3.44Å; Q1066-E1070 PolarHBondContact NE2-OE1 3.36Å; Q1066-E1070 WeakPolarHBondContact O-CG 3.35Å; Q1066-E1070 PolarHBondContact O-N 3.37Å |
| 1067 | L | 89 | Confident | 91.9 | Very high | 94 Ų | 94 | 70.2 Ų | 70.2 | 49% | 0.492 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.7 | -37.5 | 176.9 | -71.7 | 169.9 | 0 | 0 | 0 | 111.7 | E1063 L1064 K1071 | E1063-L1067 WeakPolarHBondContact O-CG 3.23Å; E1063-L1067 PolarHBondContact O-N 3.47Å; L1064-L1067 PolarHBondContact O-N 3.36Å; L1067-K1071 VanDerWaalsContact O-CG 3.27Å; L1067-K1071 WeakPolarHBondContact O-CG 3.39Å; L1067-K1071 PolarHBondContact O-N 3.21Å |
| 1068 | Q | 91 | Very high | 92 | Very high | 3 Ų | 3 | 74.4 Ų | 74.4 | 1% | 0.014 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.1 | -44 | 173 | 179.7 | 68.7 | -4.1 | 0 | 0 | 112.8 | L955 H959 L1064 Q1065 Q1066 E1070 K1071 C1072 | L955-Q1068 PolarHBondContact O-NE2 3.4Å; H959-Q1068 HydrophobicContact CB-CG 3.93Å; H959-Q1068 VanDerWaalsContact CB-NE2 3.27Å; H959-Q1068 VanDerWaalsContact CE1-CB 3.49Å; H959-Q1068 WeakPolarHBondContact CE1-CB 3.34Å; H959-Q1068 VanDerWaalsContact CG-CG 3.48Å; H959-Q1068 WeakPolarHBondContact ND1-CB 3.45Å; L1064-Q1068 PolarHBondContact O-N 3.22Å; Q1065-Q1068 PolarHBondContact O-N 2.97Å; Q1066-Q1068 PolarHBondContact O-N 3.24Å; Q1068-E1070 VanDerWaalsContact C-N 3.26Å; Q1068-E1070 PolarHBondContact O-N 3.04Å; Q1068-K1071 WeakPolarHBondContact O-CB 3.34Å; Q1068-K1071 PolarHBondContact O-N 2.89Å; Q1068-C1072 WeakPolarHBondContact O-CB 3.34Å; Q1068-C1072 PolarHBondContact O-N 3.07Å; Q1068-C1072 PolarHBondContact O-SG 3.17Å; Q1068-C1072 VanDerWaalsContact O-SG 3.35Å |
| 1069 | N | 91.4 | Very high | 92.1 | Very high | 92 Ų | 92 | 71.5 Ų | 71.5 | 49% | 0.492 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.3 | -38.2 | 177.9 | -66.2 | -2.5 | 0 | 0 | 0 | 110.9 | Q1065 Q1066 C1072 H1073 | Q1065-N1069 PolarHBondContact NE2-OD1 2.86Å; Q1065-N1069 PolarHBondContact O-N 3.33Å; Q1065-N1069 PolarHBondContact O-OD1 3.48Å; Q1066-N1069 WeakPolarHBondContact O-CB 3.34Å; Q1066-N1069 PolarHBondContact O-N 2.93Å; N1069-C1072 PolarHBondContact O-N 3Å; N1069-H1073 PolarHBondContact O-N 3.28Å |
| 1070 | E | 93.2 | Very high | 92.2 | Very high | 89 Ų | 89 | 73.7 Ų | 73.7 | 42% | 0.416 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.7 | -47 | 172.7 | -69.8 | 171.5 | -166.6 | 0 | 0 | 112.2 | Q1066 Q1068 C1072 H1073 L1074 | Q1066-E1070 WeakPolarHBondContact CG-OE1 3.44Å; Q1066-E1070 PolarHBondContact NE2-OE1 3.36Å; Q1066-E1070 WeakPolarHBondContact O-CG 3.35Å; Q1066-E1070 PolarHBondContact O-N 3.37Å; Q1068-E1070 VanDerWaalsContact C-N 3.26Å; Q1068-E1070 PolarHBondContact O-N 3.04Å; E1070-C1072 VanDerWaalsContact C-N 3.29Å; E1070-C1072 PolarHBondContact O-N 3.44Å; E1070-H1073 PolarHBondContact O-N 3.1Å; E1070-L1074 WeakPolarHBondContact O-CG 3.4Å; E1070-L1074 PolarHBondContact O-N 3.02Å; E1070-L1074 VanDerWaalsContact O-N 3.1Å |
| 1071 | K | 90.8 | Very high | 92.7 | Very high | 67 Ų | 67 | 76.2 Ų | 76.2 | 29% | 0.291 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -55 | -44.2 | 172.6 | -68.5 | 171.6 | -154 | 168.2 | 0 | 111.1 | L955 E962 L1067 Q1068 L1075 | L955-K1071 HydrophobicContact CD1-CB 4.02Å; L955-K1071 HydrophobicContact CD1-CD 3.71Å; L955-K1071 HydrophobicContact CD1-CG 4.44Å; L955-K1071 HydrophobicContact CD2-CB 4.05Å; E962-K1071 IonicContact OE1-NZ 3.88Å; E962-K1071 PolarHBondContact OE1-NZ 2.8Å; E962-K1071 IonicContact OE2-NZ 3.52Å; E962-K1071 PolarHBondContact OE2-NZ 3.48Å; L1067-K1071 VanDerWaalsContact O-CG 3.27Å; L1067-K1071 WeakPolarHBondContact O-CG 3.39Å; L1067-K1071 PolarHBondContact O-N 3.21Å; Q1068-K1071 WeakPolarHBondContact O-CB 3.34Å; Q1068-K1071 PolarHBondContact O-N 2.89Å; K1071-L1075 WeakPolarHBondContact O-CB 3.43Å; K1071-L1075 PolarHBondContact O-N 3.1Å |
| 1072 | C | 91.2 | Very high | 92.8 | Very high | 32 Ų | 32 | 77.9 Ų | 77.9 | 22% | 0.216 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.8 | -42.5 | 179.9 | -72.9 | 0 | 0 | 0 | 0 | 112.9 | Q1068 N1069 E1070 L1075 I1076 | Q1068-C1072 WeakPolarHBondContact O-CB 3.34Å; Q1068-C1072 PolarHBondContact O-N 3.07Å; Q1068-C1072 PolarHBondContact O-SG 3.17Å; Q1068-C1072 VanDerWaalsContact O-SG 3.35Å; N1069-C1072 PolarHBondContact O-N 3Å; E1070-C1072 VanDerWaalsContact C-N 3.29Å; E1070-C1072 PolarHBondContact O-N 3.44Å; C1072-L1075 PolarHBondContact O-N 3.01Å; C1072-I1076 WeakPolarHBondContact O-CG1 3.23Å; C1072-I1076 PolarHBondContact O-N 3.29Å; C1072-I1076 VanDerWaalsContact O-N 3.09Å |
| 1073 | H | 92.7 | Very high | 93 | Very high | 126 Ų | 126 | 71.8 Ų | 71.8 | 58% | 0.583 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -60.6 | -50.2 | 177.4 | -173.5 | -71.4 | 0 | 0 | 0 | 111.1 | N1069 E1070 L1075 I1076 E1077 | N1069-H1073 PolarHBondContact O-N 3.28Å; E1070-H1073 PolarHBondContact O-N 3.1Å; H1073-L1075 PolarHBondContact O-N 3.27Å; H1073-I1076 PolarHBondContact O-N 2.96Å; H1073-I1076 VanDerWaalsContact O-N 3.16Å; H1073-E1077 IonicContact CE1-OE2 2.81Å; H1073-E1077 IonicContact ND1-OE2 3.17Å; H1073-E1077 PolarHBondContact ND1-OE2 3.2Å; H1073-E1077 WeakPolarHBondContact O-CB 3.44Å; H1073-E1077 PolarHBondContact O-N 2.95Å |
| 1074 | L | 93.6 | Very high | 93.3 | Very high | 110 Ų | 110 | 72 Ų | 72 | 58% | 0.576 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.8 | -34.1 | 178.3 | -69.4 | 169.4 | 0 | 0 | 0 | 112.4 | E1070 H1078 | E1070-L1074 WeakPolarHBondContact O-CG 3.4Å; E1070-L1074 PolarHBondContact O-N 3.02Å; E1070-L1074 VanDerWaalsContact O-N 3.1Å; L1074-H1078 VanDerWaalsContact O-CB 3.29Å; L1074-H1078 WeakPolarHBondContact O-CB 3.4Å; L1074-H1078 PolarHBondContact O-N 3.35Å |
| 1075 | L | 93.1 | Very high | 93.6 | Very high | 25 Ų | 25 | 73.8 Ų | 73.8 | 13% | 0.131 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.5 | -40.6 | 177 | -174 | 60.5 | 0 | 0 | 0 | 112.4 | Y948 Q951 R952 L955 K1071 C1072 H1073 E1079 | Y948-L1075 HydrophobicContact CD1-CD1 3.73Å; Y948-L1075 HydrophobicContact CD1-CG 4.3Å; Y948-L1075 HydrophobicContact CE1-CD1 3.92Å; Q951-L1075 HydrophobicContact CB-CD1 4.31Å; Q951-L1075 HydrophobicContact CB-CD2 4.19Å; R952-L1075 HydrophobicContact CB-CD2 4.4Å; R952-L1075 HydrophobicContact CG-CD2 3.64Å; R952-L1075 HydrophobicContact CG-CG 4.4Å; L955-L1075 HydrophobicContact CD2-CD2 3.8Å; K1071-L1075 WeakPolarHBondContact O-CB 3.43Å; K1071-L1075 PolarHBondContact O-N 3.1Å; C1072-L1075 PolarHBondContact O-N 3.01Å; H1073-L1075 PolarHBondContact O-N 3.27Å; L1075-E1079 WeakPolarHBondContact O-CB 3.45Å; L1075-E1079 PolarHBondContact O-N 3.36Å |
| 1076 | I | 93.4 | Very high | 93.8 | Very high | 82 Ų | 82 | 71.9 Ų | 71.9 | 42% | 0.421 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71.9 | -37.9 | 177 | -66.5 | 165.6 | 0 | 0 | 0 | 111.2 | C1072 H1073 E1079 T1080 | C1072-I1076 WeakPolarHBondContact O-CG1 3.23Å; C1072-I1076 PolarHBondContact O-N 3.29Å; C1072-I1076 VanDerWaalsContact O-N 3.09Å; H1073-I1076 PolarHBondContact O-N 2.96Å; H1073-I1076 VanDerWaalsContact O-N 3.16Å; I1076-E1079 PolarHBondContact O-N 2.93Å; I1076-T1080 WeakPolarHBondContact O-CB 3.36Å; I1076-T1080 PolarHBondContact O-N 3.34Å; I1076-T1080 PolarHBondContact O-OG1 3.4Å |
| 1077 | E | 93.7 | Very high | 94 | Very high | 107 Ų | 107 | 69 Ų | 69 | 50% | 0.5 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 173.8 | -174.8 | 172.2 | -172.2 | 0 | 0 | 111 | H1073 T1080 Q1081 | H1073-E1077 IonicContact CE1-OE2 2.81Å; H1073-E1077 IonicContact ND1-OE2 3.17Å; H1073-E1077 PolarHBondContact ND1-OE2 3.2Å; H1073-E1077 WeakPolarHBondContact O-CB 3.44Å; H1073-E1077 PolarHBondContact O-N 2.95Å; E1077-T1080 PolarHBondContact O-N 3.36Å; E1077-Q1081 WeakPolarHBondContact O-CB 3.35Å; E1077-Q1081 PolarHBondContact O-N 2.92Å |
| 1078 | H | 94.7 | Very high | 94.4 | Very high | 93 Ų | 93 | 69.6 Ų | 69.6 | 43% | 0.431 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 175 | -173.5 | -142.7 | 0 | 0 | 0 | 112.9 | Y948 L1074 K1082 | Y948-H1078 HydrophobicContact CE1-CB 4.4Å; Y948-H1078 AromaticContact CE1-ND1 3.83Å; Y948-H1078 AromaticContact CZ-ND1 3.88Å; Y948-H1078 PolarHBondContact OH-CE1 2.92Å; Y948-H1078 PolarHBondContact OH-ND1 3.05Å; Y948-H1078 PolarHBondContact OH-O 3.2Å; L1074-H1078 VanDerWaalsContact O-CB 3.29Å; L1074-H1078 WeakPolarHBondContact O-CB 3.4Å; L1074-H1078 PolarHBondContact O-N 3.35Å; H1078-K1082 WeakPolarHBondContact O-CB 3.49Å; H1078-K1082 WeakPolarHBondContact O-CG 3.42Å; H1078-K1082 PolarHBondContact O-N 3.44Å |
| 1079 | E | 95.1 | Very high | 94.7 | Very high | 16 Ų | 16 | 75.5 Ų | 75.5 | 8% | 0.075 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 171.4 | -179 | -179.9 | -148.4 | 0 | 0 | 111.3 | Y948 R952 L1075 I1076 Q1081 K1082 L1083 | Y948-E1079 WeakPolarHBondContact CB-OE1 3.29Å; Y948-E1079 HydrophobicContact CD1-CB 3.62Å; Y948-E1079 HydrophobicContact CD1-CG 4.2Å; Y948-E1079 HydrophobicContact CD2-CB 3.92Å; Y948-E1079 HydrophobicContact CD2-CG 3.73Å; Y948-E1079 HydrophobicContact CE1-CB 3.88Å; Y948-E1079 HydrophobicContact CE2-CB 4.18Å; Y948-E1079 HydrophobicContact CE2-CG 4.31Å; Y948-E1079 HydrophobicContact CG-CB 3.64Å; Y948-E1079 HydrophobicContact CG-CG 3.67Å; R952-E1079 IonicContact CZ-OE1 3.33Å; R952-E1079 IonicContact CZ-OE2 3.8Å; R952-E1079 IonicContact NH1-OE1 2.66Å; R952-E1079 IonicContact NH1-OE2 3.87Å; R952-E1079 PolarHBondContact NH1-OE2 3.11Å; R952-E1079 VanDerWaalsContact NH2-CD 3.26Å; R952-E1079 IonicContact NH2-OE1 2.8Å; R952-E1079 PolarHBondContact NH2-OE1 3.27Å; R952-E1079 IonicContact NH2-OE2 3.09Å; R952-E1079 PolarHBondContact NH2-OE2 3.24Å; R952-E1079 VanDerWaalsContact NH2-OE2 3.12Å; L1075-E1079 WeakPolarHBondContact O-CB 3.45Å; L1075-E1079 PolarHBondContact O-N 3.36Å; I1076-E1079 PolarHBondContact O-N 2.93Å; E1079-Q1081 PolarHBondContact O-N 3.47Å; E1079-K1082 PolarHBondContact O-N 2.92Å; E1079-L1083 HydrophobicContact CG-CD1 3.85Å; E1079-L1083 HydrophobicContact CG-CG 4.43Å; E1079-L1083 WeakPolarHBondContact O-CB 3.48Å; E1079-L1083 WeakPolarHBondContact O-CG 3.36Å; E1079-L1083 PolarHBondContact O-N 2.97Å |
| 1080 | T | 96.3 | Very high | 94.9 | Very high | 84 Ų | 84 | 72.1 Ų | 72.1 | 52% | 0.515 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | -178.6 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | I1076 E1077 L1083 K1084 | I1076-T1080 WeakPolarHBondContact O-CB 3.36Å; I1076-T1080 PolarHBondContact O-N 3.34Å; I1076-T1080 PolarHBondContact O-OG1 3.4Å; E1077-T1080 PolarHBondContact O-N 3.36Å; T1080-L1083 PolarHBondContact O-N 3.34Å; T1080-K1084 WeakPolarHBondContact O-CB 3.2Å; T1080-K1084 PolarHBondContact O-N 3.16Å |
| 1081 | Q | 96.4 | Very high | 95.1 | Very high | 83 Ų | 83 | 71.6 Ų | 71.6 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 176.5 | 177.5 | 55.8 | 26.6 | 0 | 0 | 112 | E1077 E1079 K1084 E1085 | E1077-Q1081 WeakPolarHBondContact O-CB 3.35Å; E1077-Q1081 PolarHBondContact O-N 2.92Å; E1079-Q1081 PolarHBondContact O-N 3.47Å; Q1081-K1084 PolarHBondContact O-N 2.99Å; Q1081-E1085 WeakPolarHBondContact CG-OE1 3.39Å; Q1081-E1085 PolarHBondContact NE2-OE1 3.28Å; Q1081-E1085 WeakPolarHBondContact O-CG 3.36Å; Q1081-E1085 PolarHBondContact O-N 3.44Å |
| 1082 | K | 96.3 | Very high | 95.3 | Very high | 78 Ų | 78 | 72.6 Ų | 72.6 | 34% | 0.339 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.4 | -33.5 | 177 | -74.8 | -71.7 | 170.2 | -160.2 | 0 | 113.7 | L944 Y948 H1078 E1079 K1084 E1085 L1086 | L944-K1082 HydrophobicContact CD1-CB 4.49Å; L944-K1082 HydrophobicContact CD2-CB 3.94Å; Y948-K1082 HydrophobicContact CE2-CB 4.31Å; Y948-K1082 WeakPolarHBondContact OH-CG 3.48Å; H1078-K1082 WeakPolarHBondContact O-CB 3.49Å; H1078-K1082 WeakPolarHBondContact O-CG 3.42Å; H1078-K1082 PolarHBondContact O-N 3.44Å; E1079-K1082 PolarHBondContact O-N 2.92Å; K1082-K1084 VanDerWaalsContact C-N 3.33Å; K1082-E1085 WeakPolarHBondContact CD-OE2 3.01Å; K1082-E1085 WeakPolarHBondContact CE-OE2 3.46Å; K1082-E1085 IonicContact NZ-OE1 2.71Å; K1082-E1085 IonicContact NZ-OE2 3.72Å; K1082-E1085 PolarHBondContact NZ-OE2 2.71Å; K1082-L1086 WeakPolarHBondContact O-CB 3.29Å; K1082-L1086 PolarHBondContact O-N 3.49Å; K1082-L1086 VanDerWaalsContact O-N 3.07Å |
| 1083 | L | 96.8 | Very high | 95.5 | Very high | 26 Ų | 26 | 74.9 Ų | 74.9 | 14% | 0.136 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 170.1 | -76.7 | 166.8 | 0 | 0 | 0 | 111.3 | K941 L944 K945 E1079 T1080 L1086 D1087 | K941-L1083 HydrophobicContact CG-CD2 3.6Å; L944-L1083 HydrophobicContact CD2-CD2 3.93Å; L944-L1083 HydrophobicContact CD2-CG 4.03Å; K945-L1083 HydrophobicContact CG-CD2 4.3Å; E1079-L1083 HydrophobicContact CG-CD1 3.85Å; E1079-L1083 HydrophobicContact CG-CG 4.43Å; E1079-L1083 WeakPolarHBondContact O-CB 3.48Å; E1079-L1083 WeakPolarHBondContact O-CG 3.36Å; E1079-L1083 PolarHBondContact O-N 2.97Å; T1080-L1083 PolarHBondContact O-N 3.34Å; L1083-L1086 PolarHBondContact O-N 2.85Å; L1083-D1087 VanDerWaalsContact O-CG 3.26Å; L1083-D1087 PolarHBondContact O-N 3.17Å; L1083-D1087 VanDerWaalsContact O-N 3.07Å |
| 1084 | K | 96.7 | Very high | 95.6 | Very high | 105 Ų | 105 | 70.3 Ų | 70.3 | 46% | 0.457 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66 | -45.9 | 176 | -179.5 | -173.8 | 163.7 | -168.5 | 0 | 112.2 | T1080 Q1081 K1082 L1086 D1087 E1088 | T1080-K1084 WeakPolarHBondContact O-CB 3.2Å; T1080-K1084 PolarHBondContact O-N 3.16Å; Q1081-K1084 PolarHBondContact O-N 2.99Å; K1082-K1084 VanDerWaalsContact C-N 3.33Å; K1084-L1086 VanDerWaalsContact C-N 3.29Å; K1084-L1086 PolarHBondContact O-N 2.75Å; K1084-D1087 WeakPolarHBondContact O-CB 3.13Å; K1084-D1087 PolarHBondContact O-N 3.14Å; K1084-D1087 VanDerWaalsContact O-N 3.14Å; K1084-E1088 WeakPolarHBondContact CE-OE1 3.42Å; K1084-E1088 IonicContact NZ-OE1 3.64Å; K1084-E1088 WeakPolarHBondContact O-CG 3.45Å; K1084-E1088 PolarHBondContact O-N 3.49Å |
| 1085 | E | 96.6 | Very high | 95.7 | Very high | 58 Ų | 58 | 70 Ų | 70 | 27% | 0.271 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.5 | -42.2 | 175.3 | -74.4 | 169.6 | -157.8 | 0 | 0 | 111.4 | Q1081 K1082 D1087 E1088 E1089 | Q1081-E1085 WeakPolarHBondContact CG-OE1 3.39Å; Q1081-E1085 PolarHBondContact NE2-OE1 3.28Å; Q1081-E1085 WeakPolarHBondContact O-CG 3.36Å; Q1081-E1085 PolarHBondContact O-N 3.44Å; K1082-E1085 WeakPolarHBondContact CD-OE2 3.01Å; K1082-E1085 WeakPolarHBondContact CE-OE2 3.46Å; K1082-E1085 IonicContact NZ-OE1 2.71Å; K1082-E1085 IonicContact NZ-OE2 3.72Å; K1082-E1085 PolarHBondContact NZ-OE2 2.71Å; E1085-D1087 VanDerWaalsContact C-N 3.35Å; E1085-D1087 PolarHBondContact O-N 3.02Å; E1085-E1088 PolarHBondContact O-N 2.91Å; E1085-E1089 WeakPolarHBondContact O-CB 3.5Å; E1085-E1089 WeakPolarHBondContact O-CG 3.48Å; E1085-E1089 PolarHBondContact O-N 3.06Å |
| 1086 | L | 96.3 | Very high | 95.8 | Very high | 24 Ų | 24 | 71.7 Ų | 71.7 | 13% | 0.126 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.1 | -32.7 | 176.4 | -175.4 | 67.5 | 0 | 0 | 0 | 113.4 | L940 K941 L944 K1082 L1083 K1084 H1090 | L940-L1086 HydrophobicContact CB-CD1 4.18Å; L940-L1086 HydrophobicContact CB-CD2 4.04Å; L940-L1086 HydrophobicContact CD1-CD1 4.38Å; K941-L1086 HydrophobicContact CB-CD2 4.04Å; K941-L1086 HydrophobicContact CG-CD2 4.45Å; L944-L1086 HydrophobicContact CD2-CD2 4.34Å; K1082-L1086 WeakPolarHBondContact O-CB 3.29Å; K1082-L1086 PolarHBondContact O-N 3.49Å; K1082-L1086 VanDerWaalsContact O-N 3.07Å; L1083-L1086 PolarHBondContact O-N 2.85Å; K1084-L1086 VanDerWaalsContact C-N 3.29Å; K1084-L1086 PolarHBondContact O-N 2.75Å; L1086-H1090 WeakPolarHBondContact O-CB 3.48Å; L1086-H1090 PolarHBondContact O-N 3.09Å |
| 1087 | D | 96.9 | Very high | 95.8 | Very high | 54 Ų | 54 | 69.2 Ų | 69.2 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -71.4 | -37.3 | 174.4 | -71.8 | -6.5 | 0 | 0 | 0 | 111.6 | H937 K941 L1083 K1084 E1085 S1091 | H937-D1087 IonicContact CE1-OD1 2.7Å; H937-D1087 PolarHBondContact CE1-OD1 3.22Å; H937-D1087 IonicContact NE2-OD1 2.8Å; H937-D1087 PolarHBondContact NE2-OD1 3.12Å; K941-D1087 VanDerWaalsContact CE-OD1 3.27Å; K941-D1087 WeakPolarHBondContact CE-OD1 3.34Å; K941-D1087 IonicContact NZ-OD1 3.46Å; K941-D1087 PolarHBondContact NZ-OD1 2.9Å; K941-D1087 IonicContact NZ-OD2 3.79Å; K941-D1087 PolarHBondContact NZ-OD2 2.82Å; L1083-D1087 VanDerWaalsContact O-CG 3.26Å; L1083-D1087 PolarHBondContact O-N 3.17Å; L1083-D1087 VanDerWaalsContact O-N 3.07Å; K1084-D1087 WeakPolarHBondContact O-CB 3.13Å; K1084-D1087 PolarHBondContact O-N 3.14Å; K1084-D1087 VanDerWaalsContact O-N 3.14Å; E1085-D1087 VanDerWaalsContact C-N 3.35Å; E1085-D1087 PolarHBondContact O-N 3.02Å; D1087-S1091 WeakPolarHBondContact O-CB 3.48Å; D1087-S1091 PolarHBondContact O-N 3.09Å; D1087-S1091 PolarHBondContact O-OG 2.92Å |
| 1088 | E | 97.3 | Very high | 95.8 | Very high | 108 Ų | 108 | 69.5 Ų | 69.5 | 51% | 0.505 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69.6 | -44.5 | 174.5 | -71.3 | 176.8 | 179.5 | 0 | 0 | 111.4 | K1084 E1085 S1091 Q1092 | K1084-E1088 WeakPolarHBondContact CE-OE1 3.42Å; K1084-E1088 IonicContact NZ-OE1 3.64Å; K1084-E1088 WeakPolarHBondContact O-CG 3.45Å; K1084-E1088 PolarHBondContact O-N 3.49Å; E1085-E1088 PolarHBondContact O-N 2.91Å; E1088-S1091 WeakPolarHBondContact O-CB 3.38Å; E1088-S1091 PolarHBondContact O-N 2.87Å; E1088-Q1092 PolarHBondContact O-N 3.13Å |
| 1089 | E | 95.8 | Very high | 95.7 | Very high | 126 Ų | 126 | 70.2 Ų | 70.2 | 59% | 0.589 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -57.2 | -48.6 | 172.6 | -78.3 | -178.1 | 177.2 | 0 | 0 | 111.9 | E1085 S1091 Q1092 E1093 | E1085-E1089 WeakPolarHBondContact O-CB 3.5Å; E1085-E1089 WeakPolarHBondContact O-CG 3.48Å; E1085-E1089 PolarHBondContact O-N 3.06Å; E1089-S1091 VanDerWaalsContact C-N 3.34Å; E1089-S1091 PolarHBondContact O-N 3.28Å; E1089-Q1092 PolarHBondContact O-N 3.4Å; E1089-E1093 PolarHBondContact O-N 2.91Å |
| 1090 | H | 96.2 | Very high | 95.6 | Very high | 22 Ų | 22 | 75.8 Ų | 75.8 | 10% | 0.102 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 178.6 | 179.1 | 50.6 | 0 | 0 | 0 | 112.7 | L933 H937 L1086 Q1092 E1093 I1094 | L933-H1090 PolarHBondContact O-CE1 3.16Å; L933-H1090 VanDerWaalsContact O-CE1 3.28Å; H937-H1090 HydrophobicContact CB-CB 4.19Å; H937-H1090 WeakPolarHBondContact CB-ND1 3.46Å; H937-H1090 AromaticContact CD2-CD2 3.34Å; H937-H1090 PolarHBondContact CD2-CD2 3.46Å; H937-H1090 AromaticContact CD2-CG 3.95Å; H937-H1090 AromaticContact CD2-NE2 3.79Å; H937-H1090 AromaticContact CE1-CD2 3.99Å; H937-H1090 AromaticContact CG-CD2 3.22Å; H937-H1090 AromaticContact CG-CG 3.36Å; H937-H1090 AromaticContact CG-ND1 3.9Å; H937-H1090 AromaticContact CG-NE2 3.7Å; H937-H1090 VanDerWaalsContact ND1-CB 3.3Å; H937-H1090 WeakPolarHBondContact ND1-CB 3.37Å; H937-H1090 AromaticContact ND1-CD2 3.67Å; H937-H1090 AromaticContact ND1-CG 3.5Å; H937-H1090 AromaticContact NE2-CD2 3.85Å; L1086-H1090 WeakPolarHBondContact O-CB 3.48Å; L1086-H1090 PolarHBondContact O-N 3.09Å; H1090-Q1092 VanDerWaalsContact C-N 3.28Å; H1090-Q1092 PolarHBondContact O-N 3.17Å; H1090-E1093 PolarHBondContact O-N 2.98Å; H1090-I1094 VanDerWaalsContact CE1-CD1 3.43Å; H1090-I1094 WeakPolarHBondContact CE1-CD1 3.48Å; H1090-I1094 WeakPolarHBondContact NE2-CD1 3.44Å; H1090-I1094 PolarHBondContact O-N 3.42Å |
| 1091 | S | 96.7 | Very high | 95.3 | Very high | 77 Ų | 77 | 73.5 Ų | 73.5 | 54% | 0.538 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.9 | -39.3 | 174.6 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | D1087 E1088 E1089 K1095 | D1087-S1091 WeakPolarHBondContact O-CB 3.48Å; D1087-S1091 PolarHBondContact O-N 3.09Å; D1087-S1091 PolarHBondContact O-OG 2.92Å; E1088-S1091 WeakPolarHBondContact O-CB 3.38Å; E1088-S1091 PolarHBondContact O-N 2.87Å; E1089-S1091 VanDerWaalsContact C-N 3.34Å; E1089-S1091 PolarHBondContact O-N 3.28Å; S1091-K1095 WeakPolarHBondContact O-CB 3.47Å; S1091-K1095 PolarHBondContact O-N 3.48Å; S1091-K1095 VanDerWaalsContact O-N 3.12Å |
| 1092 | Q | 96.4 | Very high | 94.9 | Very high | 89 Ų | 89 | 79 Ų | 79 | 42% | 0.416 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -73.2 | -39.4 | 174.6 | -172.7 | 57.4 | 50.3 | 0 | 0 | 112.3 | E1088 E1089 H1090 I1094 K1095 D1096 | E1088-Q1092 PolarHBondContact O-N 3.13Å; E1089-Q1092 PolarHBondContact O-N 3.4Å; H1090-Q1092 VanDerWaalsContact C-N 3.28Å; H1090-Q1092 PolarHBondContact O-N 3.17Å; Q1092-I1094 PolarHBondContact O-N 3.22Å; Q1092-K1095 WeakPolarHBondContact O-CB 3.38Å; Q1092-K1095 PolarHBondContact O-N 3.14Å; Q1092-D1096 PolarHBondContact NE2-OD1 3.21Å; Q1092-D1096 WeakPolarHBondContact O-CB 3.31Å; Q1092-D1096 PolarHBondContact O-N 2.76Å |
| 1093 | E | 95.3 | Very high | 94.7 | Very high | 80 Ų | 80 | 79.3 Ų | 79.3 | 37% | 0.374 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.2 | -44.4 | 173.2 | -76 | -162.1 | 153.8 | 0 | 0 | 112.3 | K936 E1089 H1090 D1096 W1097 | K936-E1093 IonicContact NZ-OE1 2.68Å; K936-E1093 PolarHBondContact NZ-OE1 3.37Å; K936-E1093 IonicContact NZ-OE2 3.52Å; K936-E1093 PolarHBondContact NZ-OE2 3.09Å; E1089-E1093 PolarHBondContact O-N 2.91Å; H1090-E1093 PolarHBondContact O-N 2.98Å; E1093-D1096 PolarHBondContact O-N 2.73Å; E1093-W1097 WeakPolarHBondContact O-CB 3.44Å; E1093-W1097 PolarHBondContact O-N 2.78Å |
| 1094 | I | 94.8 | Very high | 94.5 | Very high | 29 Ų | 29 | 82.3 Ų | 82.3 | 15% | 0.149 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 175.5 | -78 | -178.6 | 0 | 0 | 0 | 110.7 | H1090 Q1092 W1097 R1098 | H1090-I1094 VanDerWaalsContact CE1-CD1 3.43Å; H1090-I1094 WeakPolarHBondContact CE1-CD1 3.48Å; H1090-I1094 WeakPolarHBondContact NE2-CD1 3.44Å; H1090-I1094 PolarHBondContact O-N 3.42Å; Q1092-I1094 PolarHBondContact O-N 3.22Å; I1094-W1097 PolarHBondContact O-N 2.9Å; I1094-R1098 HydrophobicContact CG2-CG 4.42Å; I1094-R1098 WeakPolarHBondContact O-CB 3.33Å; I1094-R1098 WeakPolarHBondContact O-CG 3.46Å; I1094-R1098 PolarHBondContact O-N 2.91Å |
| 1095 | K | 95.1 | Very high | 94.3 | Very high | 105 Ų | 105 | 82.8 Ų | 82.8 | 46% | 0.457 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.9 | -50.9 | 177.9 | 178.8 | -177.9 | 165 | -165.1 | 0 | 111.2 | S1091 Q1092 W1097 R1098 E1099 | S1091-K1095 WeakPolarHBondContact O-CB 3.47Å; S1091-K1095 PolarHBondContact O-N 3.48Å; S1091-K1095 VanDerWaalsContact O-N 3.12Å; Q1092-K1095 WeakPolarHBondContact O-CB 3.38Å; Q1092-K1095 PolarHBondContact O-N 3.14Å; K1095-W1097 VanDerWaalsContact C-N 3.31Å; K1095-W1097 PolarHBondContact O-N 2.92Å; K1095-R1098 PolarHBondContact O-N 3.38Å; K1095-E1099 WeakPolarHBondContact CE-OE1 3.32Å; K1095-E1099 WeakPolarHBondContact CG-OE1 3.36Å; K1095-E1099 WeakPolarHBondContact O-CG 3.33Å; K1095-E1099 PolarHBondContact O-N 3.22Å |
| 1096 | D | 94.3 | Very high | 94.1 | Very high | 60 Ų | 60 | 86.2 Ų | 86.2 | 32% | 0.321 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -52.6 | -46.7 | 175.1 | -103.8 | 57.7 | 0 | 0 | 0 | 112.4 | Q1092 E1093 E1099 K1100 | Q1092-D1096 PolarHBondContact NE2-OD1 3.21Å; Q1092-D1096 WeakPolarHBondContact O-CB 3.31Å; Q1092-D1096 PolarHBondContact O-N 2.76Å; E1093-D1096 PolarHBondContact O-N 2.73Å; D1096-E1099 PolarHBondContact O-N 3.03Å; D1096-K1100 WeakPolarHBondContact O-CB 3.02Å; D1096-K1100 VanDerWaalsContact O-CD 3.24Å; D1096-K1100 WeakPolarHBondContact O-CD 3.37Å; D1096-K1100 WeakPolarHBondContact O-CG 3.33Å; D1096-K1100 PolarHBondContact O-N 3.47Å; D1096-K1100 IonicContact OD2-NZ 2.67Å; D1096-K1100 PolarHBondContact OD2-NZ 2.9Å |
| 1097 | W | 94.7 | Very high | 93.9 | Very high | 30 Ų | 30 | 87.8 Ų | 87.8 | 11% | 0.114 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.2 | -44.3 | 178.1 | 170.7 | 81.6 | 0 | 0 | 0 | 111.9 | W926 E929 E930 L933 E1093 I1094 K1095 E1099 K1100 L1101 | W926-W1097 HydrophobicContact CB-CZ2 4.14Å; W926-W1097 WeakPolarHBondContact O-CZ2 3.47Å; E929-W1097 HydrophobicContact CB-CZ2 4.1Å; E929-W1097 PolarHBondContact OE2-NE1 2.93Å; E930-W1097 HydrophobicContact CB-CH2 3.55Å; E930-W1097 HydrophobicContact CB-CZ2 4.07Å; E930-W1097 HydrophobicContact CB-CZ3 3.96Å; E930-W1097 HydrophobicContact CG-CH2 3.96Å; E930-W1097 HydrophobicContact CG-CZ3 3.88Å; E930-W1097 WeakPolarHBondContact OE2-CH2 3.49Å; L933-W1097 HydrophobicContact CD1-CB 3.9Å; L933-W1097 HydrophobicContact CD1-CD2 3.99Å; L933-W1097 HydrophobicContact CD1-CE3 4.43Å; L933-W1097 HydrophobicContact CD1-CG 3.71Å; E1093-W1097 WeakPolarHBondContact O-CB 3.44Å; E1093-W1097 PolarHBondContact O-N 2.78Å; I1094-W1097 PolarHBondContact O-N 2.9Å; K1095-W1097 VanDerWaalsContact C-N 3.31Å; K1095-W1097 PolarHBondContact O-N 2.92Å; W1097-E1099 VanDerWaalsContact C-N 3.29Å; W1097-E1099 PolarHBondContact O-N 3.32Å; W1097-K1100 PolarHBondContact O-N 2.89Å; W1097-L1101 HydrophobicContact CD2-CD1 4.33Å; W1097-L1101 HydrophobicContact CH2-CD1 4.09Å; W1097-L1101 HydrophobicContact CZ2-CD1 3.45Å; W1097-L1101 VanDerWaalsContact CZ2-CD1 3.45Å; W1097-L1101 PolarHBondContact O-N 2.93Å |
| 1098 | R | 93.3 | Very high | 93.6 | Very high | 112 Ų | 112 | 86.8 Ų | 86.8 | 42% | 0.423 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.3 | -33.9 | 175 | -71.4 | -172.4 | -158.8 | -66.9 | -1.4 | 112.7 | E930 I1094 K1095 L1101 | E930-R1098 IonicContact OE1-CZ 3.19Å; E930-R1098 IonicContact OE1-NH1 3.62Å; E930-R1098 PolarHBondContact OE1-NH1 2.81Å; E930-R1098 IonicContact OE1-NH2 3.09Å; E930-R1098 PolarHBondContact OE1-NH2 3.24Å; E930-R1098 IonicContact OE2-NH1 3.63Å; I1094-R1098 HydrophobicContact CG2-CG 4.42Å; I1094-R1098 WeakPolarHBondContact O-CB 3.33Å; I1094-R1098 WeakPolarHBondContact O-CG 3.46Å; I1094-R1098 PolarHBondContact O-N 2.91Å; K1095-R1098 PolarHBondContact O-N 3.38Å; R1098-L1101 WeakPolarHBondContact O-CB 3.38Å |
| 1099 | E | 93.2 | Very high | 93.4 | Very high | 109 Ų | 109 | 84.4 Ų | 84.4 | 51% | 0.509 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.3 | -46.3 | 173.9 | -73.6 | 179.8 | -156.7 | 0 | 0 | 111.2 | K1095 D1096 W1097 L1101 R1102 P1103 | K1095-E1099 WeakPolarHBondContact CE-OE1 3.32Å; K1095-E1099 WeakPolarHBondContact CG-OE1 3.36Å; K1095-E1099 WeakPolarHBondContact O-CG 3.33Å; K1095-E1099 PolarHBondContact O-N 3.22Å; D1096-E1099 PolarHBondContact O-N 3.03Å; W1097-E1099 VanDerWaalsContact C-N 3.29Å; W1097-E1099 PolarHBondContact O-N 3.32Å; E1099-L1101 PolarHBondContact O-N 2.8Å; E1099-R1102 PolarHBondContact O-N 3.2Å; E1099-P1103 WeakPolarHBondContact O-CD 3.21Å |
| 1100 | K | 91.3 | Very high | 93.3 | Very high | 132 Ų | 132 | 83.4 Ų | 83.4 | 57% | 0.574 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.7 | -27.8 | 174.1 | -70.5 | 156.9 | -174.1 | 151.6 | 0 | 113.1 | D1096 W1097 R1102 P1103 | D1096-K1100 WeakPolarHBondContact O-CB 3.02Å; D1096-K1100 VanDerWaalsContact O-CD 3.24Å; D1096-K1100 WeakPolarHBondContact O-CD 3.37Å; D1096-K1100 WeakPolarHBondContact O-CG 3.33Å; D1096-K1100 PolarHBondContact O-N 3.47Å; D1096-K1100 IonicContact OD2-NZ 2.67Å; D1096-K1100 PolarHBondContact OD2-NZ 2.9Å; W1097-K1100 PolarHBondContact O-N 2.89Å; K1100-R1102 VanDerWaalsContact C-N 3.35Å; K1100-R1102 PolarHBondContact O-N 3.49Å; K1100-P1103 WeakPolarHBondContact O-CD 3.27Å |
| 1101 | L | 91.1 | Very high | 93.1 | Very high | 36 Ų | 36 | 85.5 Ų | 85.5 | 19% | 0.188 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.3 | -35.9 | 175.9 | -138.7 | 87.6 | 0 | 0 | 0 | 113.2 | W926 W1097 R1098 E1099 R1104 K1105 | W926-L1101 HydrophobicContact CB-CD1 4.12Å; W926-L1101 HydrophobicContact CB-CD2 4.48Å; W926-L1101 HydrophobicContact CD2-CD1 4.09Å; W926-L1101 HydrophobicContact CD2-CD2 3.92Å; W926-L1101 HydrophobicContact CD2-CG 4Å; W926-L1101 HydrophobicContact CE3-CD2 3.91Å; W926-L1101 HydrophobicContact CE3-CG 4.43Å; W926-L1101 HydrophobicContact CG-CD1 3.69Å; W926-L1101 HydrophobicContact CG-CD2 4.17Å; W926-L1101 HydrophobicContact CG-CG 4.14Å; W1097-L1101 HydrophobicContact CD2-CD1 4.33Å; W1097-L1101 HydrophobicContact CH2-CD1 4.09Å; W1097-L1101 HydrophobicContact CZ2-CD1 3.45Å; W1097-L1101 VanDerWaalsContact CZ2-CD1 3.45Å; W1097-L1101 PolarHBondContact O-N 2.93Å; R1098-L1101 WeakPolarHBondContact O-CB 3.38Å; E1099-L1101 PolarHBondContact O-N 2.8Å; L1101-R1104 PolarHBondContact O-N 3.26Å; L1101-K1105 PolarHBondContact O-N 2.85Å |
| 1102 | R | 87.6 | Confident | 92.9 | Very high | 200 Ų | 200 | 82 Ų | 82 | 76% | 0.755 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -66.4 | -48.9 | -173 | -64.7 | -179.4 | -177.9 | -158.9 | 2.3 | 112.5 | E1099 K1100 R1104 K1105 K1106 | E1099-R1102 PolarHBondContact O-N 3.2Å; K1100-R1102 VanDerWaalsContact C-N 3.35Å; K1100-R1102 PolarHBondContact O-N 3.49Å; R1102-R1104 PolarHBondContact O-N 3.04Å; R1102-K1105 PolarHBondContact O-N 2.83Å; R1102-K1106 WeakPolarHBondContact O-CB 3.42Å; R1102-K1106 PolarHBondContact O-N 2.85Å |
| 1103 | P | 92.6 | Very high | 92.6 | Very high | 84 Ų | 84 | 81.2 Ų | 81.2 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 171.3 | -26 | 35.3 | 0 | 0 | 0 | 113.5 | E1099 K1100 K1105 K1106 A1107 | E1099-P1103 WeakPolarHBondContact O-CD 3.21Å; K1100-P1103 WeakPolarHBondContact O-CD 3.27Å; P1103-K1105 PolarHBondContact O-N 3.3Å; P1103-K1106 PolarHBondContact O-N 2.97Å; P1103-A1107 WeakPolarHBondContact O-CB 3.46Å; P1103-A1107 PolarHBondContact O-N 3.26Å |
| 1104 | R | 92.1 | Very high | 92.4 | Very high | 89 Ų | 89 | 82.9 Ų | 82.9 | 34% | 0.336 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 178.7 | -178.2 | 175.1 | 173 | -178.1 | -1.6 | 111.5 | E922 W926 E929 L1101 R1102 L1108 | E922-R1104 IonicContact OE2-CZ 2.64Å; E922-R1104 VanDerWaalsContact OE2-CZ 3.25Å; E922-R1104 IonicContact OE2-NE 3.05Å; E922-R1104 PolarHBondContact OE2-NE 3.06Å; E922-R1104 IonicContact OE2-NH2 3.78Å; E922-R1104 PolarHBondContact OE2-NH2 2.92Å; W926-R1104 HydrophobicContact CZ2-CG 4.37Å; W926-R1104 VanDerWaalsContact NE1-CZ 3.31Å; W926-R1104 VanDerWaalsContact NE1-NE 3.19Å; E929-R1104 IonicContact OE1-CZ 3.77Å; E929-R1104 IonicContact OE1-NH1 2.61Å; E929-R1104 PolarHBondContact OE1-NH1 2.92Å; E929-R1104 IonicContact OE1-NH2 2.73Å; E929-R1104 PolarHBondContact OE1-NH2 3.37Å; E929-R1104 IonicContact OE2-NH1 3.2Å; E929-R1104 PolarHBondContact OE2-NH1 3.32Å; L1101-R1104 PolarHBondContact O-N 3.26Å; R1102-R1104 PolarHBondContact O-N 3.04Å; R1104-L1108 PolarHBondContact O-N 3.24Å |
| 1105 | K | 92.3 | Very high | 92.1 | Very high | 114 Ų | 114 | 84 Ų | 84 | 50% | 0.496 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 174.8 | -176.5 | 169.6 | -177.8 | 174.8 | 0 | 112.4 | W926 L1101 R1102 P1103 L1108 E1109 | W926-K1105 HydrophobicContact CH2-CB 3.69Å; W926-K1105 HydrophobicContact CH2-CD 4.06Å; W926-K1105 HydrophobicContact CH2-CG 3.87Å; W926-K1105 HydrophobicContact CZ2-CB 4.2Å; W926-K1105 HydrophobicContact CZ3-CD 4.19Å; W926-K1105 HydrophobicContact CZ3-CG 4.49Å; L1101-K1105 PolarHBondContact O-N 2.85Å; R1102-K1105 PolarHBondContact O-N 2.83Å; P1103-K1105 PolarHBondContact O-N 3.3Å; K1105-L1108 PolarHBondContact O-N 3.32Å; K1105-E1109 PolarHBondContact O-N 2.94Å |
| 1106 | K | 92.6 | Very high | 91.8 | Very high | 131 Ų | 131 | 82.3 Ų | 82.3 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.4 | -50.6 | 179 | 178 | 175.7 | 168.1 | 178 | 0 | 111.7 | R1102 P1103 L1108 E1109 E1110 | R1102-K1106 WeakPolarHBondContact O-CB 3.42Å; R1102-K1106 PolarHBondContact O-N 2.85Å; P1103-K1106 PolarHBondContact O-N 2.97Å; K1106-L1108 PolarHBondContact O-N 3.44Å; K1106-E1109 PolarHBondContact O-N 2.97Å; K1106-E1110 WeakPolarHBondContact CE-OE1 3.41Å; K1106-E1110 HydrophobicContact CG-CG 4.37Å; K1106-E1110 IonicContact NZ-OE1 2.66Å; K1106-E1110 WeakPolarHBondContact O-CG 3.32Å; K1106-E1110 PolarHBondContact O-N 2.94Å |
| 1107 | A | 92.1 | Very high | 91.4 | Very high | 56 Ų | 56 | 84.8 Ų | 84.8 | 46% | 0.463 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61 | -33.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1103 E1111 | P1103-A1107 WeakPolarHBondContact O-CB 3.46Å; P1103-A1107 PolarHBondContact O-N 3.26Å; A1107-E1111 WeakPolarHBondContact O-CB 3.47Å; A1107-E1111 PolarHBondContact O-N 3.47Å |
| 1108 | L | 91.2 | Very high | 91 | Very high | 33 Ų | 33 | 88.2 Ų | 88.2 | 17% | 0.173 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.4 | -49.4 | 175.8 | -171.5 | 74.3 | 0 | 0 | 0 | 112 | E922 R1104 K1105 K1106 E1110 E1111 F1112 | E922-L1108 HydrophobicContact CB-CD2 4.12Å; E922-L1108 HydrophobicContact CG-CD1 4.35Å; E922-L1108 HydrophobicContact CG-CD2 3.91Å; R1104-L1108 PolarHBondContact O-N 3.24Å; K1105-L1108 PolarHBondContact O-N 3.32Å; K1106-L1108 PolarHBondContact O-N 3.44Å; L1108-E1110 VanDerWaalsContact C-N 3.35Å; L1108-E1111 PolarHBondContact O-N 2.9Å; L1108-F1112 HydrophobicContact CD1-CE1 3.95Å; L1108-F1112 HydrophobicContact CD1-CE2 4.31Å; L1108-F1112 HydrophobicContact CD1-CZ 3.64Å; L1108-F1112 HydrophobicContact CD2-CE2 3.88Å; L1108-F1112 HydrophobicContact CD2-CZ 3.87Å; L1108-F1112 HydrophobicContact CG-CD2 4.4Å; L1108-F1112 HydrophobicContact CG-CE1 4.13Å; L1108-F1112 HydrophobicContact CG-CE2 3.64Å; L1108-F1112 HydrophobicContact CG-CZ 3.49Å; L1108-F1112 VanDerWaalsContact CG-CZ 3.49Å; L1108-F1112 VanDerWaalsContact O-CG 3.29Å; L1108-F1112 WeakPolarHBondContact O-CG 3.49Å; L1108-F1112 PolarHBondContact O-N 3.48Å |
| 1109 | E | 92.2 | Very high | 90.5 | Very high | 59 Ų | 59 | 84.3 Ų | 84.3 | 28% | 0.276 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.2 | -31.6 | 178.5 | -63.6 | -67.5 | 171.7 | 0 | 0 | 112.2 | R919 K1105 K1106 F1112 T1113 | R919-E1109 IonicContact CZ-OE1 2.65Å; R919-E1109 IonicContact CZ-OE2 2.78Å; R919-E1109 IonicContact NE-OE1 3.33Å; R919-E1109 PolarHBondContact NE-OE1 3.35Å; R919-E1109 IonicContact NE-OE2 3.56Å; R919-E1109 PolarHBondContact NE-OE2 3Å; R919-E1109 IonicContact NH2-OE1 3.68Å; R919-E1109 IonicContact NH2-OE2 3.72Å; R919-E1109 PolarHBondContact NH2-OE2 3.05Å; K1105-E1109 PolarHBondContact O-N 2.94Å; K1106-E1109 PolarHBondContact O-N 2.97Å; E1109-F1112 PolarHBondContact O-N 3.18Å; E1109-F1112 WeakPolarHBondContact OE2-CD2 3.35Å; E1109-T1113 WeakPolarHBondContact O-CB 3.49Å; E1109-T1113 PolarHBondContact O-N 3.19Å; E1109-T1113 PolarHBondContact O-OG1 3.22Å |
| 1110 | E | 93.4 | Very high | 90 | Very high | 104 Ų | 104 | 84 Ų | 84 | 49% | 0.486 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 169.7 | -74.7 | 175.9 | 158.3 | 0 | 0 | 111.4 | K1106 L1108 T1113 R1114 | K1106-E1110 WeakPolarHBondContact CE-OE1 3.41Å; K1106-E1110 HydrophobicContact CG-CG 4.37Å; K1106-E1110 IonicContact NZ-OE1 2.66Å; K1106-E1110 WeakPolarHBondContact O-CG 3.32Å; K1106-E1110 PolarHBondContact O-N 2.94Å; L1108-E1110 VanDerWaalsContact C-N 3.35Å; E1110-T1113 PolarHBondContact O-N 3.4Å; E1110-R1114 WeakPolarHBondContact O-CB 3.5Å; E1110-R1114 PolarHBondContact O-N 2.86Å |
| 1111 | E | 92.7 | Very high | 89.6 | Confident | 67 Ų | 67 | 81.5 Ų | 81.5 | 31% | 0.313 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.1 | -38 | 176.1 | -150.8 | -144.3 | 174.4 | 0 | 0 | 112.6 | A1107 L1108 R1114 K1115 | A1107-E1111 WeakPolarHBondContact O-CB 3.47Å; A1107-E1111 PolarHBondContact O-N 3.47Å; L1108-E1111 PolarHBondContact O-N 2.9Å; E1111-R1114 IonicContact OE1-NH2 2.77Å; E1111-K1115 VanDerWaalsContact CD-CE 3.44Å; E1111-K1115 WeakPolarHBondContact O-CG 3.5Å; E1111-K1115 PolarHBondContact O-N 3.3Å; E1111-K1115 WeakPolarHBondContact OE1-CE 3.44Å; E1111-K1115 IonicContact OE1-NZ 3.14Å; E1111-K1115 PolarHBondContact OE1-NZ 3.01Å; E1111-K1115 IonicContact OE2-NZ 3.85Å; E1111-K1115 PolarHBondContact OE2-NZ 3.37Å |
| 1112 | F | 92.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 85.7 Ų | 85.7 | 1% | 0.009 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.5 | -44.8 | 173.9 | -66.2 | -15.4 | 0 | 0 | 0 | 112.2 | Q915 L918 R919 L1108 E1109 R1114 K1115 L1116 | Q915-F1112 HydrophobicContact CB-CD1 4.39Å; Q915-F1112 HydrophobicContact CB-CD2 4.2Å; Q915-F1112 HydrophobicContact CB-CE2 4.4Å; Q915-F1112 HydrophobicContact CB-CG 4.2Å; Q915-F1112 HydrophobicContact CG-CB 4.01Å; Q915-F1112 HydrophobicContact CG-CD1 3.81Å; Q915-F1112 HydrophobicContact CG-CD2 4.26Å; Q915-F1112 HydrophobicContact CG-CE1 4.35Å; Q915-F1112 HydrophobicContact CG-CG 3.76Å; Q915-F1112 PolarHBondContact NE2-O 2.83Å; Q915-F1112 VanDerWaalsContact NE2-O 3.16Å; L918-F1112 HydrophobicContact CB-CE1 3.94Å; L918-F1112 HydrophobicContact CB-CZ 3.57Å; L918-F1112 HydrophobicContact CD1-CE1 3.88Å; L918-F1112 HydrophobicContact CD1-CZ 4.39Å; R919-F1112 HydrophobicContact CG-CD2 4.49Å; R919-F1112 HydrophobicContact CG-CE2 3.66Å; R919-F1112 HydrophobicContact CG-CZ 4.48Å; L1108-F1112 HydrophobicContact CD1-CE1 3.95Å; L1108-F1112 HydrophobicContact CD1-CE2 4.31Å; L1108-F1112 HydrophobicContact CD1-CZ 3.64Å; L1108-F1112 HydrophobicContact CD2-CE2 3.88Å; L1108-F1112 HydrophobicContact CD2-CZ 3.87Å; L1108-F1112 HydrophobicContact CG-CD2 4.4Å; L1108-F1112 HydrophobicContact CG-CE1 4.13Å; L1108-F1112 HydrophobicContact CG-CE2 3.64Å; L1108-F1112 HydrophobicContact CG-CZ 3.49Å; L1108-F1112 VanDerWaalsContact CG-CZ 3.49Å; L1108-F1112 VanDerWaalsContact O-CG 3.29Å; L1108-F1112 WeakPolarHBondContact O-CG 3.49Å; L1108-F1112 PolarHBondContact O-N 3.48Å; E1109-F1112 PolarHBondContact O-N 3.18Å; E1109-F1112 WeakPolarHBondContact OE2-CD2 3.35Å; F1112-R1114 VanDerWaalsContact C-N 3.34Å; F1112-R1114 PolarHBondContact O-N 3.38Å; F1112-K1115 PolarHBondContact O-N 2.98Å; F1112-L1116 PolarHBondContact O-N 3.49Å |
| 1113 | T | 90.5 | Very high | 88.6 | Confident | 74 Ų | 74 | 78.4 Ų | 78.4 | 45% | 0.454 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 176.4 | -57.2 | 0 | 0 | 0 | 0 | 110.8 | E1109 E1110 L1116 Q1117 | E1109-T1113 WeakPolarHBondContact O-CB 3.49Å; E1109-T1113 PolarHBondContact O-N 3.19Å; E1109-T1113 PolarHBondContact O-OG1 3.22Å; E1110-T1113 PolarHBondContact O-N 3.4Å; T1113-L1116 WeakPolarHBondContact O-CB 3.43Å; T1113-L1116 PolarHBondContact O-N 3.3Å; T1113-Q1117 WeakPolarHBondContact O-CG 3.34Å; T1113-Q1117 PolarHBondContact O-N 3.02Å; T1113-Q1117 VanDerWaalsContact O-N 3.08Å |
| 1114 | R | 91.4 | Very high | 87.6 | Confident | 114 Ų | 114 | 80.4 Ų | 80.4 | 43% | 0.43 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 177.3 | -162 | -168.6 | 70.8 | -116.1 | -6.9 | 112.1 | E1110 E1111 F1112 L1116 Q1117 E1118 | E1110-R1114 WeakPolarHBondContact O-CB 3.5Å; E1110-R1114 PolarHBondContact O-N 2.86Å; E1111-R1114 IonicContact OE1-NH2 2.77Å; F1112-R1114 VanDerWaalsContact C-N 3.34Å; F1112-R1114 PolarHBondContact O-N 3.38Å; R1114-L1116 VanDerWaalsContact C-N 3.29Å; R1114-L1116 PolarHBondContact O-N 2.92Å; R1114-Q1117 PolarHBondContact O-N 3.36Å; R1114-E1118 WeakPolarHBondContact CD-OE1 3.46Å; R1114-E1118 WeakPolarHBondContact CG-OE1 3.33Å; R1114-E1118 IonicContact CZ-OE1 2.62Å; R1114-E1118 IonicContact NE-OE1 2.68Å; R1114-E1118 PolarHBondContact NE-OE1 3.39Å; R1114-E1118 IonicContact NH2-OE1 2.66Å; R1114-E1118 VanDerWaalsContact O-CG 3.29Å; R1114-E1118 WeakPolarHBondContact O-CG 3.43Å; R1114-E1118 PolarHBondContact O-N 3.5Å |
| 1115 | K | 88.6 | Confident | 86 | Confident | 53 Ų | 53 | 82.4 Ų | 82.4 | 23% | 0.23 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.8 | -36.1 | 175.9 | -74.6 | 166.5 | -178.6 | 166.3 | 0 | 112.8 | L911 E1111 F1112 Q1119 | L911-K1115 HydrophobicContact CD1-CB 4.42Å; L911-K1115 HydrophobicContact CD2-CB 4.48Å; E1111-K1115 VanDerWaalsContact CD-CE 3.44Å; E1111-K1115 WeakPolarHBondContact O-CG 3.5Å; E1111-K1115 PolarHBondContact O-N 3.3Å; E1111-K1115 WeakPolarHBondContact OE1-CE 3.44Å; E1111-K1115 IonicContact OE1-NZ 3.14Å; E1111-K1115 PolarHBondContact OE1-NZ 3.01Å; E1111-K1115 IonicContact OE2-NZ 3.85Å; E1111-K1115 PolarHBondContact OE2-NZ 3.37Å; F1112-K1115 PolarHBondContact O-N 2.98Å; K1115-Q1119 PolarHBondContact O-N 2.96Å; K1115-Q1119 VanDerWaalsContact O-N 3.13Å |
| 1116 | L | 87.4 | Confident | 84.3 | Confident | 70 Ų | 70 | 78.7 Ų | 78.7 | 37% | 0.366 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 175.9 | -155.1 | 81.6 | 0 | 0 | 0 | 111.2 | L911 F1112 T1113 R1114 Q1119 E1120 | L911-L1116 HydrophobicContact CD2-CD1 4.19Å; F1112-L1116 PolarHBondContact O-N 3.49Å; T1113-L1116 WeakPolarHBondContact O-CB 3.43Å; T1113-L1116 PolarHBondContact O-N 3.3Å; R1114-L1116 VanDerWaalsContact C-N 3.29Å; R1114-L1116 PolarHBondContact O-N 2.92Å; L1116-Q1119 PolarHBondContact O-N 3.39Å; L1116-E1120 PolarHBondContact O-N 2.96Å |
| 1117 | Q | 86.2 | Confident | 82.3 | Confident | 112 Ų | 112 | 75.3 Ų | 75.3 | 52% | 0.523 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 175.7 | -68.4 | 171.8 | -9.9 | 0 | 0 | 112.3 | T1113 R1114 Q1119 E1120 V1121 | T1113-Q1117 WeakPolarHBondContact O-CG 3.34Å; T1113-Q1117 PolarHBondContact O-N 3.02Å; T1113-Q1117 VanDerWaalsContact O-N 3.08Å; R1114-Q1117 PolarHBondContact O-N 3.36Å; Q1117-Q1119 VanDerWaalsContact C-N 3.3Å; Q1117-Q1119 PolarHBondContact O-N 2.97Å; Q1117-E1120 PolarHBondContact O-N 3.31Å; Q1117-V1121 WeakPolarHBondContact O-CG2 3.46Å; Q1117-V1121 PolarHBondContact O-N 2.97Å |
| 1118 | E | 86.9 | Confident | 79.8 | Confident | 101 Ų | 101 | 81.2 Ų | 81.2 | 47% | 0.472 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -55.1 | -44.7 | 174.5 | -73.8 | 165.3 | -162.9 | 0 | 0 | 111.2 | R1114 F1122 | R1114-E1118 WeakPolarHBondContact CD-OE1 3.46Å; R1114-E1118 WeakPolarHBondContact CG-OE1 3.33Å; R1114-E1118 IonicContact CZ-OE1 2.62Å; R1114-E1118 IonicContact NE-OE1 2.68Å; R1114-E1118 PolarHBondContact NE-OE1 3.39Å; R1114-E1118 IonicContact NH2-OE1 2.66Å; R1114-E1118 VanDerWaalsContact O-CG 3.29Å; R1114-E1118 WeakPolarHBondContact O-CG 3.43Å; R1114-E1118 PolarHBondContact O-N 3.5Å; E1118-F1122 PolarHBondContact O-N 3.29Å; E1118-F1122 VanDerWaalsContact O-N 3.15Å |
| 1119 | Q | 83.1 | Confident | 77.4 | Confident | 31 Ų | 31 | 83.4 Ų | 83.4 | 15% | 0.145 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -68.2 | -42 | 176.5 | -175.5 | 178.7 | 67 | 0 | 0 | 112.7 | E907 L911 K1115 L1116 Q1117 V1121 F1122 F1123 | E907-Q1119 PolarHBondContact O-NE2 2.89Å; L911-Q1119 HydrophobicContact CD2-CB 4.17Å; K1115-Q1119 PolarHBondContact O-N 2.96Å; K1115-Q1119 VanDerWaalsContact O-N 3.13Å; L1116-Q1119 PolarHBondContact O-N 3.39Å; Q1117-Q1119 VanDerWaalsContact C-N 3.3Å; Q1117-Q1119 PolarHBondContact O-N 2.97Å; Q1119-V1121 PolarHBondContact O-N 3.09Å; Q1119-F1122 WeakPolarHBondContact O-CB 3.39Å; Q1119-F1122 PolarHBondContact O-N 3.3Å; Q1119-F1123 HydrophobicContact CG-CD2 3.97Å; Q1119-F1123 HydrophobicContact CG-CE2 3.93Å; Q1119-F1123 WeakPolarHBondContact O-CD2 3.34Å; Q1119-F1123 PolarHBondContact O-N 3.02Å; Q1119-F1123 VanDerWaalsContact O-N 3.15Å |
| 1120 | E | 82.5 | Confident | 74.7 | Confident | 103 Ų | 103 | 88.2 Ų | 88.2 | 48% | 0.481 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 178.8 | -162.9 | -170.5 | 167.8 | 0 | 0 | 111.8 | L1116 Q1117 F1123 K1124 | L1116-E1120 PolarHBondContact O-N 2.96Å; Q1117-E1120 PolarHBondContact O-N 3.31Å; E1120-F1123 PolarHBondContact O-N 3.42Å; E1120-K1124 HydrophobicContact CG-CD 4.35Å; E1120-K1124 WeakPolarHBondContact O-CB 3.47Å; E1120-K1124 WeakPolarHBondContact O-CG 3.43Å; E1120-K1124 PolarHBondContact O-N 3.26Å; E1120-K1124 WeakPolarHBondContact OE1-CE 3.46Å; E1120-K1124 IonicContact OE1-NZ 3.36Å; E1120-K1124 PolarHBondContact OE1-NZ 2.9Å |
| 1121 | V | 82.6 | Confident | 72.1 | Confident | 79 Ų | 79 | 89.7 Ų | 89.7 | 48% | 0.479 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 174.9 | 171 | 0 | 0 | 0 | 0 | 111.2 | Q1117 Q1119 F1123 K1124 M1125 | Q1117-V1121 WeakPolarHBondContact O-CG2 3.46Å; Q1117-V1121 PolarHBondContact O-N 2.97Å; Q1119-V1121 PolarHBondContact O-N 3.09Å; V1121-F1123 PolarHBondContact O-N 3.4Å; V1121-K1124 PolarHBondContact O-N 2.93Å; V1121-M1125 HydrophobicContact CG1-CE 4.38Å; V1121-M1125 HydrophobicContact CG1-CG 4.14Å; V1121-M1125 WeakPolarHBondContact O-CB 3.49Å; V1121-M1125 VanDerWaalsContact O-CG 3.23Å; V1121-M1125 WeakPolarHBondContact O-CG 3.49Å; V1121-M1125 PolarHBondContact O-N 3.31Å |
| 1122 | F | 80.1 | Confident | 69.3 | Low | 124 Ų | 124 | 93.9 Ų | 93.9 | 54% | 0.544 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 177.3 | 178.1 | -102.1 | 0 | 0 | 0 | 112.7 | E1118 Q1119 S1126 | E1118-F1122 PolarHBondContact O-N 3.29Å; E1118-F1122 VanDerWaalsContact O-N 3.15Å; Q1119-F1122 WeakPolarHBondContact O-CB 3.39Å; Q1119-F1122 PolarHBondContact O-N 3.3Å; F1122-S1126 PolarHBondContact O-N 3.12Å; F1122-S1126 PolarHBondContact O-OG 2.74Å |
| 1123 | F | 76.9 | Confident | 66.3 | Low | 47 Ų | 47 | 100.2 Ų | 100.2 | 21% | 0.206 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -78 | -27.5 | 177.5 | -74.9 | -65.8 | 0 | 0 | 0 | 114.2 | I903 A904 E907 Q1119 E1120 V1121 S1126 G1127 | I903-F1123 HydrophobicContact CG2-CE1 4.45Å; I903-F1123 HydrophobicContact CG2-CZ 4.3Å; A904-F1123 HydrophobicContact CB-CB 4.49Å; A904-F1123 HydrophobicContact CB-CD1 3.55Å; A904-F1123 HydrophobicContact CB-CD2 3.96Å; A904-F1123 HydrophobicContact CB-CE1 3.65Å; A904-F1123 HydrophobicContact CB-CE2 4.05Å; A904-F1123 HydrophobicContact CB-CG 3.72Å; A904-F1123 HydrophobicContact CB-CZ 3.91Å; E907-F1123 HydrophobicContact CB-CE2 4.27Å; E907-F1123 HydrophobicContact CB-CZ 4.42Å; E907-F1123 HydrophobicContact CG-CZ 4.34Å; E907-F1123 WeakPolarHBondContact OE2-CE2 3.46Å; E907-F1123 VanDerWaalsContact OE2-CZ 3.32Å; E907-F1123 WeakPolarHBondContact OE2-CZ 3.42Å; Q1119-F1123 HydrophobicContact CG-CD2 3.97Å; Q1119-F1123 HydrophobicContact CG-CE2 3.93Å; Q1119-F1123 WeakPolarHBondContact O-CD2 3.34Å; Q1119-F1123 PolarHBondContact O-N 3.02Å; Q1119-F1123 VanDerWaalsContact O-N 3.15Å; E1120-F1123 PolarHBondContact O-N 3.42Å; V1121-F1123 PolarHBondContact O-N 3.4Å; F1123-S1126 WeakPolarHBondContact CA-OG 3.28Å; F1123-S1126 PolarHBondContact O-OG 3.05Å; F1123-G1127 PolarHBondContact O-N 3.08Å |
| 1124 | K | 72.3 | Confident | 63.6 | Low | 125 Ų | 125 | 103.1 Ų | 103.1 | 54% | 0.543 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.3 | -50.7 | 170.6 | -77.4 | 176.6 | 177.6 | 171 | 0 | 112.1 | E1120 V1121 S1126 G1127 | E1120-K1124 HydrophobicContact CG-CD 4.35Å; E1120-K1124 WeakPolarHBondContact O-CB 3.47Å; E1120-K1124 WeakPolarHBondContact O-CG 3.43Å; E1120-K1124 PolarHBondContact O-N 3.26Å; E1120-K1124 WeakPolarHBondContact OE1-CE 3.46Å; E1120-K1124 IonicContact OE1-NZ 3.36Å; E1120-K1124 PolarHBondContact OE1-NZ 2.9Å; V1121-K1124 PolarHBondContact O-N 2.93Å; K1124-S1126 PolarHBondContact O-N 3.32Å; K1124-G1127 WeakPolarHBondContact O-CA 3.36Å; K1124-G1127 PolarHBondContact O-N 3.25Å |
| 1125 | M | 58.7 | Low | 60.8 | Low | 131 Ų | 131 | 102.9 Ų | 102.9 | 65% | 0.645 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -53.8 | -39.4 | 177.1 | -75.6 | -79.9 | -170.7 | 0 | 0 | 112.8 | V1121 G1127 S1129 | V1121-M1125 HydrophobicContact CG1-CE 4.38Å; V1121-M1125 HydrophobicContact CG1-CG 4.14Å; V1121-M1125 WeakPolarHBondContact O-CB 3.49Å; V1121-M1125 VanDerWaalsContact O-CG 3.23Å; V1121-M1125 WeakPolarHBondContact O-CG 3.49Å; V1121-M1125 PolarHBondContact O-N 3.31Å; M1125-G1127 VanDerWaalsContact C-N 3.29Å; M1125-G1127 PolarHBondContact O-N 3.33Å; M1125-S1129 PolarHBondContact O-OG 2.69Å; M1125-S1129 VanDerWaalsContact O-OG 3.14Å |
| 1126 | S | 56.8 | Low | 58.3 | Low | 37 Ų | 37 | 107 Ų | 107 | 26% | 0.259 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -83.5 | 0.2 | 179.6 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | K900 F1122 F1123 K1124 | K900-S1126 PolarHBondContact NZ-O 2.98Å; F1122-S1126 PolarHBondContact O-N 3.12Å; F1122-S1126 PolarHBondContact O-OG 2.74Å; F1123-S1126 WeakPolarHBondContact CA-OG 3.28Å; F1123-S1126 PolarHBondContact O-OG 3.05Å; K1124-S1126 PolarHBondContact O-N 3.32Å |
| 1127 | G | 49.8 | Very low | 55.6 | Low | 59 Ų | 59 | 113.2 Ų | 113.2 | 61% | 0.608 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -87.5 | -40.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | F1123 K1124 M1125 | F1123-G1127 PolarHBondContact O-N 3.08Å; K1124-G1127 WeakPolarHBondContact O-CA 3.36Å; K1124-G1127 PolarHBondContact O-N 3.25Å; M1125-G1127 VanDerWaalsContact C-N 3.29Å; M1125-G1127 PolarHBondContact O-N 3.33Å |
| 1128 | E | 40.6 | Very low | 53.1 | Low | 180 Ų | 180 | 113.4 Ų | 113.4 | 84% | 0.841 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -86.6 | -12.6 | -174 | -62.9 | -176.4 | 159.3 | 0 | 0 | 114.3 | E1130 | E1128-E1130 PolarHBondContact O-N 3.19Å; E1128-E1130 VanDerWaalsContact O-N 3.08Å |
| 1129 | S | 39 | Very low | 50.7 | Low | 80 Ų | 80 | 120.1 Ų | 120.1 | 56% | 0.559 | 65% | 0.646 | S | S | * | * | trans | -70.5 | 102.6 | 179.5 | -64.8 | 0 | 0 | 0 | 0 | 112.1 | M1125 | M1125-S1129 PolarHBondContact O-OG 2.69Å; M1125-S1129 VanDerWaalsContact O-OG 3.14Å | ||
| 1130 | E | 37.2 | Very low | 48.4 | Very low | 160 Ų | 160 | 123.7 Ų | 123.7 | 75% | 0.748 | 67% | 0.67 | S | S | * | * | trans | -55.8 | 148.6 | 155.1 | -71.3 | -156.2 | 124.7 | 0 | 0 | 110.2 | E1128 L1132 | E1128-E1130 PolarHBondContact O-N 3.19Å; E1128-E1130 VanDerWaalsContact O-N 3.08Å; E1130-L1132 VanDerWaalsContact C-N 3.26Å; E1130-L1132 PolarHBondContact O-N 3Å | ||
| 1131 | C | 37.1 | Very low | 46 | Very low | 134 Ų | 134 | 124.1 Ų | 124.1 | 91% | 0.905 | 68% | 0.684 | S | S | * | * | trans | -73.6 | 71.6 | -172.2 | -58.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1132 | L | 33.8 | Very low | 44.1 | Very low | 155 Ų | 155 | 128 Ų | 128 | 81% | 0.812 | 69% | 0.694 | S | S | * | * | trans | -72.6 | 141.3 | 173.4 | -65.7 | 175.7 | 0 | 0 | 0 | 111.3 | E1130 | E1130-L1132 VanDerWaalsContact C-N 3.26Å; E1130-L1132 PolarHBondContact O-N 3Å | ||
| 1133 | N | 30.3 | Very low | 42 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | trans | -31.8 | 137 | -167.3 | -81.2 | -60 | 0 | 0 | 0 | 118.1 | T1135 | N1133-T1135 VanDerWaalsContact C-N 3.26Å; N1133-T1135 PolarHBondContact O-N 3.13Å | ||
| 1134 | P | 35.1 | Very low | 40.1 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 87% | 0.87 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -76.1 | 70.6 | 177.7 | 34.4 | -37.1 | 0 | 0 | 0 | 112.6 | ||
| 1135 | T | 32.4 | Very low | 38.3 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | trans | -134.9 | 125.8 | 168.8 | 13.7 | 0 | 0 | 0 | 0 | 109.5 | N1133 | N1133-T1135 VanDerWaalsContact C-N 3.26Å; N1133-T1135 PolarHBondContact O-N 3.13Å | ||
| 1136 | T | 36 | Very low | 37 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 85% | 0.847 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 61.9 | 89.9 | -177.7 | 63.5 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1137 | Q | 30.5 | Very low | 35.8 | Very low | 201 Ų | 201 | 135.9 Ų | 135.9 | 94% | 0.939 | 75% | 0.745 | S | S | * | * | -162.5 | 139.5 | 118.9 | -105.5 | 177.3 | 32.9 | 0 | 0 | 111.1 | R1139 | Q1137-R1139 PolarHBondContact O-N 2.73Š| |||
| 1138 | S | 34.1 | Very low | 34.9 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | trans | -102.3 | 78.1 | -164.4 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1139 | R | 35.3 | Very low | 34.8 | Very low | 242 Ų | 242 | 138.6 Ų | 138.6 | 91% | 0.913 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -156.6 | 39.6 | 156.7 | -116 | 166.5 | -165.3 | -164.1 | 2.4 | 116.2 | Q1137 | Q1137-R1139 PolarHBondContact O-N 2.73Š|
| 1140 | V | 35 | Very low | 34.6 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 65% | 0.648 | 76% | 0.764 | S | S | * | * | trans | 42.1 | 81.3 | 148 | -166.7 | 0 | 0 | 0 | 0 | 115.9 | K1142 | V1140-K1142 HydrophobicContact CG1-CB 3.89Å; V1140-K1142 HydrophobicContact CG1-CD 3.9Å; V1140-K1142 HydrophobicContact CG1-CG 3.61Å | ||
| 1141 | S | 31.7 | Very low | 34.3 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -67.3 | 132.3 | 132.9 | 177.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 1142 | K | 44.3 | Very low | 34.4 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | trans | -110 | 145.6 | -175.1 | -131 | 167.7 | -173.2 | 179.5 | 0 | 108.5 | V1140 | V1140-K1142 HydrophobicContact CG1-CB 3.89Å; V1140-K1142 HydrophobicContact CG1-CD 3.9Å; V1140-K1142 HydrophobicContact CG1-CG 3.61Å | ||
| 1143 | F | 35.7 | Very low | 34.5 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 69% | 0.693 | 76% | 0.764 | S | S | * | * | trans | 72.5 | 93.8 | 179.8 | -53.9 | -80.6 | 0 | 0 | 0 | 117.6 | ||||
| 1144 | Y | 35.6 | Very low | 34.6 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 48% | 0.482 | 79% | 0.794 | S | S | . | * | trans | -145.7 | 90.9 | 131.4 | -91.7 | -71.8 | 0 | 0 | 0 | 110.6 | T845 L848 I1146 | T845-Y1144 WeakPolarHBondContact CA-OH 3.49Å; T845-Y1144 HydrophobicContact CG2-CE1 4.13Å; T845-Y1144 PolarHBondContact OG1-OH 2.93Å; L848-Y1144 HydrophobicContact CD1-CE1 4.42Å; L848-Y1144 WeakPolarHBondContact CD1-OH 3.35Å; Y1144-I1146 PolarHBondContact O-N 3.34Å | ||
| 1145 | P | 35.5 | Very low | 34.6 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -78.7 | 99 | 163.6 | 31.2 | -29.5 | 0 | 0 | 0 | 109 | P1147 | P1145-P1147 WeakPolarHBondContact O-CD 3.48Š| ||
| 1146 | I | 31.3 | Very low | 34.7 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | -68.3 | 124.7 | 169.1 | -60 | 175.9 | 0 | 0 | 0 | 108 | Y1144 N1148 | Y1144-I1146 PolarHBondContact O-N 3.34Å; I1146-N1148 PolarHBondContact O-N 3.39Å; I1146-N1148 VanDerWaalsContact O-N 3.17Å | ||
| 1147 | P | 32.3 | Very low | 34.6 | Very low | 103 Ų | 103 | 148.1 Ų | 148.1 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | trans | -70.4 | 110.9 | 175.7 | -17.9 | 32.4 | 0 | 0 | 0 | 110.7 | P1145 L1149 | P1145-P1147 WeakPolarHBondContact O-CD 3.48Å; P1147-L1149 PolarHBondContact O-N 2.95Å | ||
| 1148 | N | 30.3 | Very low | 34.9 | Very low | 158 Ų | 158 | 145 Ų | 145 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | -63.2 | 102.5 | 176 | -86.3 | -13.7 | 0 | 0 | 0 | 111.2 | I1146 Q1150 | I1146-N1148 PolarHBondContact O-N 3.39Å; I1146-N1148 VanDerWaalsContact O-N 3.17Å; N1148-Q1150 VanDerWaalsContact C-N 3.27Å; N1148-Q1150 PolarHBondContact O-N 2.99Å | ||
| 1149 | L | 37.7 | Very low | 34.9 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | trans | -90.7 | 45.8 | 176.1 | -88.1 | 162.2 | 0 | 0 | 0 | 112.4 | P1147 | P1147-L1149 PolarHBondContact O-N 2.95Š| ||
| 1150 | Q | 35.8 | Very low | 34.9 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | -140.1 | 78.2 | 172.3 | -81.9 | -173.4 | -11.7 | 0 | 0 | 111.5 | N1148 | N1148-Q1150 VanDerWaalsContact C-N 3.27Å; N1148-Q1150 PolarHBondContact O-N 2.99Å | ||
| 1151 | N | 30.8 | Very low | 34.9 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | trans | -165.8 | 108.7 | 136.6 | -113.2 | -5.6 | 0 | 0 | 0 | 111.5 | ||||
| 1152 | S | 38.2 | Very low | 35.1 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | -127.6 | 96.4 | 159.6 | 43.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1153 | G | 36.6 | Very low | 34.4 | Very low | 64 Ų | 64 | 144.1 Ų | 144.1 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | trans | -174.8 | 90.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1154 | L | 32.8 | Very low | 34.3 | Very low | 258 Ų | 258 | 142.8 Ų | 142.8 | 100% | 1.351 | 80% | 0.8 | S | S | * | * | trans | 71 | 0 | -176.8 | -62.2 | 167.1 | 0 | 0 | 0 | 114.8 |
Retrieved 1,154 of 1,154 residues in 669.7 ms
(Link to these results)