| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.4 | Very low | 59.5 | Low | 248 Ų | 248 | 126.9 Ų | 126.9 | 100% | 1.222 | 65% | 0.646 | S | S | * | * | 0 | 96.8 | 0 | -78.5 | -179.7 | 156.1 | 0 | 0 | 108.1 | |||||
| 2 | Q | 35.9 | Very low | 60.6 | Low | 201 Ų | 201 | 118.5 Ų | 118.5 | 94% | 0.939 | 61% | 0.607 | S | S | * | * | trans | -90.9 | 120 | 162.7 | -82.9 | 173.8 | -12.8 | 0 | 0 | 105.8 | Q4 | Q2-Q4 PolarHBondContact O-N 3.1Š| ||
| 3 | A | 40.1 | Very low | 61.3 | Low | 93 Ų | 93 | 124.5 Ų | 124.5 | 77% | 0.769 | 63% | 0.631 | S | S | * | * | trans | -59.7 | 133.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q5 | A3-Q5 PolarHBondContact O-N 3.49Å; A3-Q5 VanDerWaalsContact O-N 3.1Å | ||
| 4 | Q | 43.2 | Very low | 62.3 | Low | 194 Ų | 194 | 126.3 Ų | 126.3 | 91% | 0.907 | 64% | 0.636 | S | S | * | * | trans | -57.2 | 115 | 166 | -82.6 | 172.9 | -28.5 | 0 | 0 | 107.6 | Q2 L6 | Q2-Q4 PolarHBondContact O-N 3.1Å; Q4-L6 PolarHBondContact O-N 3.34Å | ||
| 5 | Q | 53.6 | Low | 63.4 | Low | 140 Ų | 140 | 118.7 Ų | 118.7 | 65% | 0.654 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -64 | 125 | 172.9 | -84.2 | 176.5 | -30.1 | 0 | 0 | 108.6 | A3 | A3-Q5 PolarHBondContact O-N 3.49Å; A3-Q5 VanDerWaalsContact O-N 3.1Å |
| 6 | L | 64.1 | Low | 64.3 | Low | 162 Ų | 162 | 112.6 Ų | 112.6 | 85% | 0.848 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 140.7 | 173.3 | -75.1 | 155.4 | 0 | 0 | 0 | 109.7 | Q4 | Q4-L6 PolarHBondContact O-N 3.34Š|
| 7 | P | 70.9 | Confident | 65.2 | Low | 83 Ų | 83 | 111.9 Ų | 111.9 | 54% | 0.539 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -54.6 | 144.7 | 172.8 | -22.5 | 32.5 | 0 | 0 | 0 | 111.4 | E9 | P7-E9 PolarHBondContact O-N 3.49Š|
| 8 | Y | 78.6 | Confident | 66.2 | Low | 34 Ų | 34 | 109.7 Ų | 109.7 | 13% | 0.133 | 56% | 0.562 | C | S | . | * | P | Polyproline II helix | trans | -67.6 | 120.4 | 178.1 | -173.3 | -89.4 | 0 | 0 | 0 | 110.6 | F10 N15 W19 E116 V117 | Y8-F10 HydrophobicContact CD1-CD1 4.05Å; Y8-F10 HydrophobicContact CD1-CD2 4.36Å; Y8-F10 HydrophobicContact CD1-CE1 4.07Å; Y8-F10 HydrophobicContact CD1-CE2 4.3Å; Y8-F10 HydrophobicContact CD1-CG 4.22Å; Y8-F10 HydrophobicContact CD1-CZ 4.2Å; Y8-F10 HydrophobicContact CE1-CD1 4.17Å; Y8-F10 HydrophobicContact CE1-CE1 4.43Å; Y8-F10 WeakPolarHBondContact O-CD2 3.48Å; Y8-F10 WeakPolarHBondContact O-CE2 3.15Å; Y8-F10 PolarHBondContact O-N 3.06Å; Y8-N15 HydrophobicContact CE1-CB 4.25Å; Y8-N15 PolarHBondContact OH-ND2 3.49Å; Y8-N15 PolarHBondContact OH-OD1 2.6Å; Y8-N15 VanDerWaalsContact OH-OD1 3.1Å; Y8-W19 HydrophobicContact CE1-CZ2 4.24Å; Y8-W19 AromaticContact CE1-NE1 3.4Å; Y8-W19 AromaticContact CZ-NE1 3.83Å; Y8-W19 PolarHBondContact OH-NE1 3.48Å; Y8-E116 HydrophobicContact CE2-CB 4.48Å; Y8-E116 HydrophobicContact CE2-CG 3.89Å; Y8-E116 VanDerWaalsContact CE2-OE1 3.32Å; Y8-E116 WeakPolarHBondContact CE2-OE1 3.23Å; Y8-E116 PolarHBondContact OH-OE1 3.39Å; Y8-V117 HydrophobicContact CD1-CG2 3.71Å; Y8-V117 HydrophobicContact CD2-CG2 4.16Å; Y8-V117 HydrophobicContact CE1-CG2 3.9Å; Y8-V117 HydrophobicContact CE2-CG2 4.34Å; Y8-V117 HydrophobicContact CG-CB 4.3Å; Y8-V117 HydrophobicContact CG-CG1 4.34Å; Y8-V117 HydrophobicContact CG-CG2 3.82Å |
| 9 | E | 78.5 | Confident | 67.1 | Low | 137 Ų | 137 | 104.1 Ų | 104.1 | 64% | 0.64 | 53% | 0.533 | S | S | * | . | trans | -83.1 | 104.2 | 175.9 | -69.5 | -177.9 | -178.8 | 0 | 0 | 110.4 | P7 F11 N15 | P7-E9 PolarHBondContact O-N 3.49Å; E9-F11 PolarHBondContact O-N 3.45Å; E9-N15 PolarHBondContact O-ND2 2.79Å | ||
| 10 | F | 76.9 | Confident | 67.8 | Low | 11 Ų | 11 | 105.8 Ų | 105.8 | 5% | 0.048 | 53% | 0.532 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -26.9 | 178 | -62.7 | -89.1 | 0 | 0 | 0 | 113.3 | Y8 W19 L53 L56 N57 V117 | Y8-F10 HydrophobicContact CD1-CD1 4.05Å; Y8-F10 HydrophobicContact CD1-CD2 4.36Å; Y8-F10 HydrophobicContact CD1-CE1 4.07Å; Y8-F10 HydrophobicContact CD1-CE2 4.3Å; Y8-F10 HydrophobicContact CD1-CG 4.22Å; Y8-F10 HydrophobicContact CD1-CZ 4.2Å; Y8-F10 HydrophobicContact CE1-CD1 4.17Å; Y8-F10 HydrophobicContact CE1-CE1 4.43Å; Y8-F10 WeakPolarHBondContact O-CD2 3.48Å; Y8-F10 WeakPolarHBondContact O-CE2 3.15Å; Y8-F10 PolarHBondContact O-N 3.06Å; F10-W19 AromaticContact CD1-CD2 3.94Å; F10-W19 HydrophobicContact CD1-CD2 3.94Å; F10-W19 AromaticContact CD1-CE2 3.78Å; F10-W19 HydrophobicContact CD1-CE3 4.45Å; F10-W19 HydrophobicContact CD1-CG 4.2Å; F10-W19 HydrophobicContact CD1-CZ2 4.09Å; F10-W19 HydrophobicContact CE1-CD2 4.49Å; F10-W19 HydrophobicContact CE1-CH2 4.16Å; F10-W19 AromaticContact CE1-CZ2 3.93Å; F10-W19 HydrophobicContact CE1-CZ2 3.93Å; F10-L53 HydrophobicContact CD1-CB 4.36Å; F10-L53 HydrophobicContact CD1-CD2 3.77Å; F10-L53 HydrophobicContact CE1-CD2 4.18Å; F10-L53 HydrophobicContact CG-CB 4.42Å; F10-L56 HydrophobicContact CE1-CD2 4.14Å; F10-N57 HydrophobicContact CE2-CB 3.45Å; F10-N57 VanDerWaalsContact CE2-CB 3.45Å; F10-N57 HydrophobicContact CZ-CB 3.86Å; F10-V117 HydrophobicContact CE1-CG2 4.24Å; F10-V117 HydrophobicContact CZ-CG1 4.39Å |
| 11 | F | 76.9 | Confident | 68.3 | Low | 93 Ų | 93 | 102.6 Ų | 102.6 | 41% | 0.408 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 17.2 | -173.9 | -56.9 | -71.6 | 0 | 0 | 0 | 113.6 | E9 R20 E50 L53 | E9-F11 PolarHBondContact O-N 3.45Å; F11-R20 HydrophobicContact CE1-CG 4.4Å; F11-E50 HydrophobicContact CE1-CG 4.34Å; F11-E50 HydrophobicContact CZ-CB 4.38Å; F11-E50 HydrophobicContact CZ-CG 3.9Å; F11-L53 HydrophobicContact CE1-CD1 4.3Å; F11-L53 HydrophobicContact CZ-CD1 3.98Å |
| 12 | S | 71.7 | Confident | 70.6 | Confident | 26 Ų | 26 | 92 Ų | 92 | 18% | 0.182 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -65 | 157.1 | 168.6 | 73.9 | 0 | 0 | 0 | 0 | 110.5 | E14 N15 A16 | S12-E14 PolarHBondContact O-N 2.99Å; S12-E14 VanDerWaalsContact O-N 3.13Å; S12-N15 PolarHBondContact O-N 2.66Å; S12-N15 VanDerWaalsContact O-N 3.1Å; S12-N15 WeakPolarHBondContact OG-CB 3.04Å; S12-N15 PolarHBondContact OG-N 3.47Å; S12-N15 PolarHBondContact OG-ND2 2.89Å; S12-A16 VanDerWaalsContact O-CB 3.26Å; S12-A16 WeakPolarHBondContact O-CB 3.23Å; S12-A16 PolarHBondContact O-N 3.2Å |
| 13 | E | 70.1 | Confident | 73.1 | Confident | 196 Ų | 196 | 82.7 Ų | 82.7 | 92% | 0.916 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -32.6 | 179.8 | -68.2 | -173.3 | 168 | 0 | 0 | 112.9 | ||
| 14 | E | 75.6 | Confident | 75.4 | Confident | 150 Ų | 150 | 79 Ų | 79 | 70% | 0.701 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -36.5 | 179.1 | -170 | 178.4 | 174.4 | 0 | 0 | 112.8 | S12 | S12-E14 PolarHBondContact O-N 2.99Å; S12-E14 VanDerWaalsContact O-N 3.13Å |
| 15 | N | 79.2 | Confident | 77.5 | Confident | 13 Ų | 13 | 73.8 Ų | 73.8 | 7% | 0.07 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -25.4 | -170 | -64.6 | -30.5 | 0 | 0 | 0 | 113.9 | Y8 E9 S12 P17 K18 W19 E116 | Y8-N15 HydrophobicContact CE1-CB 4.25Å; Y8-N15 PolarHBondContact OH-ND2 3.49Å; Y8-N15 PolarHBondContact OH-OD1 2.6Å; Y8-N15 VanDerWaalsContact OH-OD1 3.1Å; E9-N15 PolarHBondContact O-ND2 2.79Å; S12-N15 PolarHBondContact O-N 2.66Å; S12-N15 VanDerWaalsContact O-N 3.1Å; S12-N15 WeakPolarHBondContact OG-CB 3.04Å; S12-N15 PolarHBondContact OG-N 3.47Å; S12-N15 PolarHBondContact OG-ND2 2.89Å; N15-P17 VanDerWaalsContact C-CD 3.41Å; N15-P17 VanDerWaalsContact C-N 3.34Å; N15-K18 WeakPolarHBondContact O-CA 3.44Å; N15-K18 VanDerWaalsContact O-CB 3.32Å; N15-K18 WeakPolarHBondContact O-CB 3.49Å; N15-K18 PolarHBondContact O-N 3.33Å; N15-K18 PolarHBondContact OD1-NZ 3.2Å; N15-W19 PolarHBondContact O-N 2.88Å; N15-E116 PolarHBondContact OD1-OE1 2.77Å |
| 16 | A | 76.8 | Confident | 79.1 | Confident | 20 Ų | 20 | 67.6 Ų | 67.6 | 17% | 0.165 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -47.8 | -45.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S12 K18 W19 R20 | S12-A16 VanDerWaalsContact O-CB 3.26Å; S12-A16 WeakPolarHBondContact O-CB 3.23Å; S12-A16 PolarHBondContact O-N 3.2Å; A16-K18 PolarHBondContact O-N 3.39Å; A16-W19 PolarHBondContact O-N 2.68Å; A16-R20 WeakPolarHBondContact O-CB 3.49Å; A16-R20 PolarHBondContact O-N 3.17Å |
| 17 | P | 80 | Confident | 80.4 | Confident | 102 Ų | 102 | 59.9 Ų | 59.9 | 66% | 0.662 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -69.5 | -18 | 178.9 | 27 | -34.8 | 0 | 0 | 0 | 113.9 | N15 | N15-P17 VanDerWaalsContact C-CD 3.41Å; N15-P17 VanDerWaalsContact C-N 3.34Å |
| 18 | K | 82.5 | Confident | 81.2 | Confident | 72 Ų | 72 | 58.4 Ų | 58.4 | 31% | 0.313 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -78.1 | -29.7 | 176.5 | -58.1 | 177.6 | -174.9 | 167.8 | 0 | 112.1 | N15 A16 L113 E116 | N15-K18 WeakPolarHBondContact O-CA 3.44Å; N15-K18 VanDerWaalsContact O-CB 3.32Å; N15-K18 WeakPolarHBondContact O-CB 3.49Å; N15-K18 PolarHBondContact O-N 3.33Å; N15-K18 PolarHBondContact OD1-NZ 3.2Å; A16-K18 PolarHBondContact O-N 3.39Å; K18-L113 HydrophobicContact CB-CD2 4.12Å; K18-L113 HydrophobicContact CD-CD2 3.97Å; K18-E116 VanDerWaalsContact NZ-CD 3.28Å; K18-E116 IonicContact NZ-OE1 2.7Å; K18-E116 PolarHBondContact NZ-OE1 3.24Å; K18-E116 IonicContact NZ-OE2 2.84Å; K18-E116 PolarHBondContact NZ-OE2 3.39Å |
| 19 | W | 84.6 | Confident | 81.5 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.008 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -109.3 | -36.1 | -172.1 | -62.6 | 102.6 | 0 | 0 | 0 | 114.1 | Y8 F10 N15 A16 G21 L22 L53 L56 L113 V117 | Y8-W19 HydrophobicContact CE1-CZ2 4.24Å; Y8-W19 AromaticContact CE1-NE1 3.4Å; Y8-W19 AromaticContact CZ-NE1 3.83Å; Y8-W19 PolarHBondContact OH-NE1 3.48Å; F10-W19 AromaticContact CD1-CD2 3.94Å; F10-W19 HydrophobicContact CD1-CD2 3.94Å; F10-W19 AromaticContact CD1-CE2 3.78Å; F10-W19 HydrophobicContact CD1-CE3 4.45Å; F10-W19 HydrophobicContact CD1-CG 4.2Å; F10-W19 HydrophobicContact CD1-CZ2 4.09Å; F10-W19 HydrophobicContact CE1-CD2 4.49Å; F10-W19 HydrophobicContact CE1-CH2 4.16Å; F10-W19 AromaticContact CE1-CZ2 3.93Å; F10-W19 HydrophobicContact CE1-CZ2 3.93Å; N15-W19 PolarHBondContact O-N 2.88Å; A16-W19 PolarHBondContact O-N 2.68Å; W19-G21 PolarHBondContact O-N 2.86Å; W19-L22 HydrophobicContact CE3-CD2 4.14Å; W19-L22 VanDerWaalsContact O-CB 3.3Å; W19-L22 WeakPolarHBondContact O-CB 3.45Å; W19-L22 PolarHBondContact O-N 2.91Å; W19-L53 HydrophobicContact CB-CD1 4.1Å; W19-L53 HydrophobicContact CB-CD2 4.16Å; W19-L53 HydrophobicContact CD2-CD2 3.81Å; W19-L53 HydrophobicContact CE3-CD2 3.27Å; W19-L53 HydrophobicContact CG-CD2 4.22Å; W19-L53 HydrophobicContact CZ3-CD2 3.82Å; W19-L56 HydrophobicContact CH2-CD2 3.63Å; W19-L56 HydrophobicContact CZ3-CD2 3.66Å; W19-L113 HydrophobicContact CD2-CD1 4.11Å; W19-L113 HydrophobicContact CE3-CD1 3.98Å; W19-L113 HydrophobicContact CH2-CB 3.49Å; W19-L113 VanDerWaalsContact CH2-CB 3.49Å; W19-L113 HydrophobicContact CH2-CD1 3.96Å; W19-L113 HydrophobicContact CH2-CG 4.36Å; W19-L113 HydrophobicContact CZ2-CB 3.49Å; W19-L113 VanDerWaalsContact CZ2-CB 3.49Å; W19-L113 HydrophobicContact CZ2-CD1 4.03Å; W19-L113 HydrophobicContact CZ2-CG 4.25Å; W19-L113 HydrophobicContact CZ3-CB 4.26Å; W19-L113 HydrophobicContact CZ3-CD1 3.93Å; W19-V117 HydrophobicContact CH2-CG2 4.17Å; W19-V117 HydrophobicContact CZ2-CG2 3.64Å |
| 20 | R | 79.7 | Confident | 81.9 | Confident | 139 Ų | 139 | 57.1 Ų | 57.1 | 53% | 0.525 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 125.7 | -179.7 | -78.4 | -169.1 | -175.2 | -110.8 | -0.7 | 111.6 | F11 A16 L22 E49 | F11-R20 HydrophobicContact CE1-CG 4.4Å; A16-R20 WeakPolarHBondContact O-CB 3.49Å; A16-R20 PolarHBondContact O-N 3.17Å; R20-L22 PolarHBondContact O-N 3.26Å; R20-E49 VanDerWaalsContact CA-OE1 3.3Å; R20-E49 WeakPolarHBondContact CA-OE1 3.49Å |
| 21 | G | 78.4 | Confident | 82.3 | Confident | 39 Ų | 39 | 57 Ų | 57 | 40% | 0.402 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 3.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | W19 P25 E49 | W19-G21 PolarHBondContact O-N 2.86Å; G21-P25 VanDerWaalsContact O-CD 3.23Å; G21-P25 WeakPolarHBondContact O-CD 3.42Å; G21-E49 WeakPolarHBondContact CA-OE2 3.49Å; G21-E49 PolarHBondContact N-OE1 3.34Å; G21-E49 PolarHBondContact N-OE2 2.69Å |
| 22 | L | 85.1 | Confident | 82.4 | Confident | 26 Ų | 26 | 53.7 Ų | 53.7 | 14% | 0.136 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -43.3 | 177.3 | 176 | 63.8 | 0 | 0 | 0 | 111.1 | W19 R20 E49 P106 K109 I110 L113 | W19-L22 HydrophobicContact CE3-CD2 4.14Å; W19-L22 VanDerWaalsContact O-CB 3.3Å; W19-L22 WeakPolarHBondContact O-CB 3.45Å; W19-L22 PolarHBondContact O-N 2.91Å; R20-L22 PolarHBondContact O-N 3.26Å; L22-E49 PolarHBondContact N-OE2 3.34Å; L22-P106 HydrophobicContact CD1-CG 4.1Å; L22-P106 HydrophobicContact CG-CG 4.38Å; L22-K109 HydrophobicContact CD1-CB 3.84Å; L22-K109 HydrophobicContact CD1-CD 3.46Å; L22-K109 VanDerWaalsContact CD1-CD 3.46Å; L22-K109 HydrophobicContact CD1-CG 4.3Å; L22-I110 HydrophobicContact CD2-CG1 4.33Å; L22-L113 HydrophobicContact CD2-CD1 3.87Å |
| 23 | L | 88.8 | Confident | 82.7 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -93.9 | -28.2 | -174.6 | -52.8 | -176.1 | 0 | 0 | 0 | 111.6 | A26 L27 E49 I52 L105 I110 | L23-A26 CarbonylContact O-C 3.51Å; L23-A26 WeakPolarHBondContact O-CA 3.29Å; L23-A26 WeakPolarHBondContact O-CB 3.49Å; L23-A26 PolarHBondContact O-N 2.94Å; L23-L27 HydrophobicContact CB-CD1 3.9Å; L23-L27 HydrophobicContact CB-CG 4.11Å; L23-L27 WeakPolarHBondContact O-CG 3.32Å; L23-L27 PolarHBondContact O-N 3.28Å; L23-E49 WeakPolarHBondContact CA-OE2 3.4Å; L23-E49 HydrophobicContact CB-CB 4.31Å; L23-E49 HydrophobicContact CB-CG 3.95Å; L23-E49 WeakPolarHBondContact CB-OE2 3.39Å; L23-E49 HydrophobicContact CD1-CG 4.14Å; L23-E49 HydrophobicContact CG-CG 4.15Å; L23-E49 PolarHBondContact N-OE2 3.4Å; L23-I52 HydrophobicContact CD1-CB 4.17Å; L23-I52 HydrophobicContact CD1-CG2 3.75Å; L23-L105 HydrophobicContact CD2-CD2 4.26Å; L23-I110 HydrophobicContact CD2-CD1 3.93Å |
| 24 | V | 89.2 | Confident | 83.1 | Confident | 16 Ų | 16 | 49.5 Ų | 49.5 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -45.7 | -50.5 | -177.8 | 173.1 | 0 | 0 | 0 | 0 | 113.9 | A26 L27 K28 L45 Q46 E49 | V24-A26 VanDerWaalsContact C-N 3.29Å; V24-A26 PolarHBondContact O-N 3.4Å; V24-L27 PolarHBondContact O-N 3.42Å; V24-K28 PolarHBondContact O-N 3.36Å; V24-L45 HydrophobicContact CG1-CB 4Å; V24-L45 HydrophobicContact CG1-CD1 4.32Å; V24-L45 HydrophobicContact CG2-CB 4.46Å; V24-Q46 HydrophobicContact CG2-CG 3.79Å; V24-E49 HydrophobicContact CG2-CB 4.45Å; V24-E49 PolarHBondContact N-OE2 3.1Å; V24-E49 VanDerWaalsContact N-OE2 3.1Å |
| 25 | P | 86.5 | Confident | 83 | Confident | 84 Ų | 84 | 43.1 Ų | 43.1 | 55% | 0.545 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.4 | -31.1 | 179.4 | -20.9 | 33.8 | 0 | 0 | 0 | 113.6 | G21 | G21-P25 VanDerWaalsContact O-CD 3.23Å; G21-P25 WeakPolarHBondContact O-CD 3.42Å |
| 26 | A | 88.2 | Confident | 82.7 | Confident | 9 Ų | 9 | 46 Ų | 46 | 7% | 0.074 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -78 | -43.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L23 V24 K28 K29 V30 S104 L105 | L23-A26 CarbonylContact O-C 3.51Å; L23-A26 WeakPolarHBondContact O-CA 3.29Å; L23-A26 WeakPolarHBondContact O-CB 3.49Å; L23-A26 PolarHBondContact O-N 2.94Å; V24-A26 VanDerWaalsContact C-N 3.29Å; V24-A26 PolarHBondContact O-N 3.4Å; A26-K28 PolarHBondContact O-N 3.32Å; A26-K29 WeakPolarHBondContact O-CA 3.46Å; A26-K29 WeakPolarHBondContact O-CB 3.35Å; A26-K29 PolarHBondContact O-N 3.2Å; A26-V30 PolarHBondContact O-N 3.47Å; A26-S104 VanDerWaalsContact CB-O 3.29Å; A26-S104 WeakPolarHBondContact CB-O 3.45Å; A26-L105 HydrophobicContact CB-CD2 3.81Å |
| 27 | L | 90.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.1 | -35.3 | 174 | -68.9 | 172.4 | 0 | 0 | 0 | 111.6 | L23 V24 K29 V30 Q31 L45 V48 E49 L105 S138 | L23-L27 HydrophobicContact CB-CD1 3.9Å; L23-L27 HydrophobicContact CB-CG 4.11Å; L23-L27 WeakPolarHBondContact O-CG 3.32Å; L23-L27 PolarHBondContact O-N 3.28Å; V24-L27 PolarHBondContact O-N 3.42Å; L27-K29 VanDerWaalsContact C-N 3.29Å; L27-K29 PolarHBondContact O-N 3.06Å; L27-V30 PolarHBondContact O-N 3.46Å; L27-Q31 WeakPolarHBondContact O-CB 3.35Å; L27-Q31 PolarHBondContact O-N 3.48Å; L27-L45 HydrophobicContact CB-CD2 4.1Å; L27-V48 HydrophobicContact CD1-CB 4.07Å; L27-V48 HydrophobicContact CD1-CG1 3.93Å; L27-V48 HydrophobicContact CD2-CG1 4.05Å; L27-E49 HydrophobicContact CD1-CB 4.05Å; L27-L105 HydrophobicContact CD2-CD2 4.27Å; L27-S138 WeakPolarHBondContact CD2-OG 3.25Å |
| 28 | K | 87.6 | Confident | 82.2 | Confident | 53 Ų | 53 | 45.1 Ų | 45.1 | 23% | 0.23 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.8 | -37 | 172.3 | -159.8 | 158.3 | -162.4 | 151.5 | 0 | 112.6 | V24 A26 G32 S40 D42 L45 | V24-K28 PolarHBondContact O-N 3.36Å; A26-K28 PolarHBondContact O-N 3.32Å; K28-G32 PolarHBondContact O-N 3.01Å; K28-S40 PolarHBondContact NZ-O 3Å; K28-D42 IonicContact NZ-OD1 3.73Å; K28-D42 PolarHBondContact NZ-OD1 3.43Å; K28-L45 HydrophobicContact CB-CD1 3.57Å; K28-L45 HydrophobicContact CD-CD1 4.02Å; K28-L45 HydrophobicContact CG-CD1 3.85Å |
| 29 | K | 85 | Confident | 82.1 | Confident | 141 Ų | 141 | 45 Ų | 45 | 61% | 0.613 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -70.6 | -41.6 | 174.2 | -64.2 | -179.1 | 178.6 | -176.7 | 0 | 111.4 | A26 L27 Q31 G32 Q33 | A26-K29 WeakPolarHBondContact O-CA 3.46Å; A26-K29 WeakPolarHBondContact O-CB 3.35Å; A26-K29 PolarHBondContact O-N 3.2Å; L27-K29 VanDerWaalsContact C-N 3.29Å; L27-K29 PolarHBondContact O-N 3.06Å; K29-Q31 VanDerWaalsContact C-N 3.31Å; K29-Q31 PolarHBondContact O-N 3.15Å; K29-G32 PolarHBondContact O-N 3.1Å; K29-Q33 WeakPolarHBondContact O-CG 3.28Å; K29-Q33 PolarHBondContact O-N 3.17Å |
| 30 | V | 86 | Confident | 81.9 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.1 | -44 | 175.9 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | A26 L27 G32 Q33 V34 A139 L142 | A26-V30 PolarHBondContact O-N 3.47Å; L27-V30 PolarHBondContact O-N 3.46Å; V30-G32 PolarHBondContact O-N 2.9Å; V30-Q33 WeakPolarHBondContact O-CB 3.4Å; V30-Q33 PolarHBondContact O-N 3.07Å; V30-Q33 VanDerWaalsContact O-N 3.12Å; V30-V34 HydrophobicContact CG1-CG2 4.4Å; V30-V34 WeakPolarHBondContact O-CG2 3.41Å; V30-V34 PolarHBondContact O-N 2.88Å; V30-A139 HydrophobicContact CG1-CB 3.77Å; V30-L142 HydrophobicContact CB-CD1 4.16Å; V30-L142 HydrophobicContact CG1-CD1 3.96Å |
| 31 | Q | 86 | Confident | 82.1 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.3 | -46.3 | 177 | -179.7 | -98.1 | -35.8 | 0 | 0 | 112.3 | L27 K29 Q33 V34 H35 L38 S40 L142 I157 | L27-Q31 WeakPolarHBondContact O-CB 3.35Å; L27-Q31 PolarHBondContact O-N 3.48Å; K29-Q31 VanDerWaalsContact C-N 3.31Å; K29-Q31 PolarHBondContact O-N 3.15Å; Q31-Q33 VanDerWaalsContact C-N 3.26Å; Q31-Q33 PolarHBondContact O-N 3.36Å; Q31-V34 PolarHBondContact O-N 2.91Å; Q31-H35 PolarHBondContact NE2-O 2.99Å; Q31-H35 CarbonylContact O-C 3.56Å; Q31-H35 PolarHBondContact O-N 3.48Å; Q31-L38 PolarHBondContact NE2-O 3.38Å; Q31-S40 WeakPolarHBondContact CG-OG 3.35Å; Q31-S40 PolarHBondContact OE1-OG 3.37Å; Q31-L142 HydrophobicContact CB-CD1 3.94Å; Q31-L142 HydrophobicContact CB-CD2 4.26Å; Q31-L142 HydrophobicContact CG-CD2 4.41Å; Q31-I157 HydrophobicContact CG-CD1 4.16Å |
| 32 | G | 78.8 | Confident | 82.5 | Confident | 25 Ų | 25 | 43 Ų | 43 | 26% | 0.258 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.1 | -24.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K28 K29 V30 P36 | K28-G32 PolarHBondContact O-N 3.01Å; K29-G32 PolarHBondContact O-N 3.1Å; V30-G32 PolarHBondContact O-N 2.9Å; G32-P36 WeakPolarHBondContact O-CA 3.12Å; G32-P36 WeakPolarHBondContact O-CG 3.13Å |
| 33 | Q | 78.6 | Confident | 82.7 | Confident | 92 Ų | 92 | 44.9 Ų | 44.9 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -73.8 | -36.2 | 172.5 | -71.1 | 171.6 | 18.6 | 0 | 0 | 112.2 | K29 V30 Q31 N101 S104 | K29-Q33 WeakPolarHBondContact O-CG 3.28Å; K29-Q33 PolarHBondContact O-N 3.17Å; V30-Q33 WeakPolarHBondContact O-CB 3.4Å; V30-Q33 PolarHBondContact O-N 3.07Å; V30-Q33 VanDerWaalsContact O-N 3.12Å; Q31-Q33 VanDerWaalsContact C-N 3.26Å; Q31-Q33 PolarHBondContact O-N 3.36Å; Q33-N101 PolarHBondContact NE2-ND2 3.08Å; Q33-S104 PolarHBondContact NE2-OG 3.21Å |
| 34 | V | 77.2 | Confident | 82.8 | Confident | 41 Ų | 41 | 44.7 Ų | 44.7 | 25% | 0.248 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -84.4 | -44.7 | -176 | 177.8 | 0 | 0 | 0 | 0 | 111.7 | V30 Q31 A139 K143 | V30-V34 HydrophobicContact CG1-CG2 4.4Å; V30-V34 WeakPolarHBondContact O-CG2 3.41Å; V30-V34 PolarHBondContact O-N 2.88Å; Q31-V34 PolarHBondContact O-N 2.91Å; V34-A139 HydrophobicContact CG2-CB 4.05Å; V34-K143 VanDerWaalsContact CG1-CA 3.43Å; V34-K143 HydrophobicContact CG1-CB 3.43Å; V34-K143 VanDerWaalsContact CG1-CB 3.43Å; V34-K143 HydrophobicContact CG1-CD 4.28Å; V34-K143 HydrophobicContact CG1-CG 3.72Å |
| 35 | H | 74.6 | Confident | 82.9 | Confident | 16 Ų | 16 | 44 Ų | 44 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | trans | -134.4 | 84.8 | 178.4 | -76.2 | -69.4 | 0 | 0 | 0 | 110 | Q31 T37 L38 K143 G146 N147 | Q31-H35 PolarHBondContact NE2-O 2.99Å; Q31-H35 CarbonylContact O-C 3.56Å; Q31-H35 PolarHBondContact O-N 3.48Å; H35-T37 PolarHBondContact O-N 2.75Å; H35-T37 VanDerWaalsContact O-N 3.1Å; H35-L38 HydrophobicContact CB-CB 4.22Å; H35-L38 HydrophobicContact CB-CD1 3.84Å; H35-L38 HydrophobicContact CB-CG 4.05Å; H35-L38 PolarHBondContact O-N 3.15Å; H35-K143 PolarHBondContact NE2-O 3.29Å; H35-G146 VanDerWaalsContact CD2-CA 3.48Å; H35-G146 WeakPolarHBondContact CD2-CA 3.46Å; H35-N147 PolarHBondContact CE1-OD1 2.72Å; H35-N147 PolarHBondContact NE2-N 2.99Å; H35-N147 PolarHBondContact NE2-OD1 3.17Å | ||
| 36 | P | 72.2 | Confident | 83.1 | Confident | 73 Ų | 73 | 44.1 Ų | 44.1 | 47% | 0.474 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -18.7 | 179.7 | -20.4 | 29.9 | 0 | 0 | 0 | 113.9 | G32 A596 | G32-P36 WeakPolarHBondContact O-CA 3.12Å; G32-P36 WeakPolarHBondContact O-CG 3.13Å; P36-A596 WeakPolarHBondContact O-CA 3.35Å; P36-A596 WeakPolarHBondContact O-CB 3.49Å |
| 37 | T | 69.2 | Low | 83.3 | Confident | 101 Ų | 101 | 45.2 Ų | 45.2 | 62% | 0.62 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -6.6 | -175.2 | 59.2 | 0 | 0 | 0 | 0 | 114 | H35 | H35-T37 PolarHBondContact O-N 2.75Å; H35-T37 VanDerWaalsContact O-N 3.1Å |
| 38 | L | 77.5 | Confident | 83.3 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | trans | -106.8 | 145.7 | -177.9 | -60.3 | 179.5 | 0 | 0 | 0 | 109.6 | Q31 H35 G146 V149 I157 | Q31-L38 PolarHBondContact NE2-O 3.38Å; H35-L38 HydrophobicContact CB-CB 4.22Å; H35-L38 HydrophobicContact CB-CD1 3.84Å; H35-L38 HydrophobicContact CB-CG 4.05Å; H35-L38 PolarHBondContact O-N 3.15Å; L38-G146 VanDerWaalsContact CD1-CA 3.46Å; L38-G146 WeakPolarHBondContact CD1-O 3.47Å; L38-V149 HydrophobicContact CD1-CB 4.41Å; L38-V149 HydrophobicContact CD1-CG1 4.11Å; L38-V149 HydrophobicContact CD2-CG1 4.14Å; L38-I157 HydrophobicContact CB-CD1 4.47Å; L38-I157 HydrophobicContact CB-CG1 4.43Å; L38-I157 HydrophobicContact CD1-CD1 4.16Å; L38-I157 HydrophobicContact CD1-CG1 4.24Å | ||
| 39 | E | 79.9 | Confident | 83.6 | Confident | 69 Ų | 69 | 43 Ų | 43 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 159.9 | 167.2 | -72.3 | -70.5 | 169 | 0 | 0 | 109.8 | Y155 E156 I157 | E39-Y155 PolarHBondContact N-O 3.3Å; E39-E156 CarbonylContact O-C 3.39Å; E39-E156 WeakPolarHBondContact O-CA 3.24Å; E39-I157 PolarHBondContact O-N 2.86Å |
| 40 | S | 81.1 | Confident | 83.8 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 4% | 0.035 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 131.2 | 177.5 | -69.7 | 0 | 0 | 0 | 0 | 111.9 | K28 Q31 | K28-S40 PolarHBondContact NZ-O 3Å; Q31-S40 WeakPolarHBondContact CG-OG 3.35Å; Q31-S40 PolarHBondContact OE1-OG 3.37Å |
| 41 | N | 84.1 | Confident | 84.1 | Confident | 68 Ų | 68 | 39.2 Ų | 39.2 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | trans | -70.8 | 140.6 | 172.8 | -168.2 | -23.9 | 0 | 0 | 0 | 109.8 | D43 A44 L45 I157 | N41-D43 PolarHBondContact O-N 2.92Å; N41-D43 PolarHBondContact OD1-N 3.21Å; N41-A44 HydrophobicContact CB-CB 4.35Å; N41-A44 VanDerWaalsContact O-CB 3.23Å; N41-A44 WeakPolarHBondContact O-CB 3.41Å; N41-A44 PolarHBondContact O-N 3.32Å; N41-L45 PolarHBondContact O-N 3.01Å; N41-I157 PolarHBondContact N-O 2.92Å; N41-I157 VanDerWaalsContact N-O 3.15Å | ||
| 42 | D | 86.6 | Confident | 84.3 | Confident | 64 Ų | 64 | 38.9 Ų | 38.9 | 34% | 0.342 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.6 | -29.8 | -179.9 | -71.3 | -4.3 | 0 | 0 | 0 | 111.5 | K28 A44 L45 Q46 | K28-D42 IonicContact NZ-OD1 3.73Å; K28-D42 PolarHBondContact NZ-OD1 3.43Å; D42-A44 VanDerWaalsContact C-N 3.32Å; D42-A44 PolarHBondContact O-N 3.03Å; D42-L45 PolarHBondContact O-N 3.05Å; D42-Q46 VanDerWaalsContact O-CG 3.28Å; D42-Q46 WeakPolarHBondContact O-CG 3.47Å; D42-Q46 PolarHBondContact O-N 2.99Å |
| 43 | D | 89.1 | Confident | 84.9 | Confident | 66 Ų | 66 | 37.8 Ų | 37.8 | 35% | 0.353 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.7 | -33.8 | 172 | 178.7 | 41.3 | 0 | 0 | 0 | 112.3 | N41 Q46 Y47 K159 | N41-D43 PolarHBondContact O-N 2.92Å; N41-D43 PolarHBondContact OD1-N 3.21Å; D43-Q46 PolarHBondContact O-N 2.84Å; D43-Y47 PolarHBondContact O-N 3.35Å; D43-Y47 VanDerWaalsContact O-N 3.12Å; D43-K159 WeakPolarHBondContact OD1-CD 3.41Å; D43-K159 IonicContact OD1-NZ 3.78Å; D43-K159 PolarHBondContact OD1-NZ 3.48Å; D43-K159 VanDerWaalsContact OD2-CD 3.25Å; D43-K159 WeakPolarHBondContact OD2-CD 3.34Å |
| 44 | A | 90.8 | Very high | 85.4 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.4 | -46.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | N41 D42 Q46 Y47 V48 I157 I162 | N41-A44 HydrophobicContact CB-CB 4.35Å; N41-A44 VanDerWaalsContact O-CB 3.23Å; N41-A44 WeakPolarHBondContact O-CB 3.41Å; N41-A44 PolarHBondContact O-N 3.32Å; D42-A44 VanDerWaalsContact C-N 3.32Å; D42-A44 PolarHBondContact O-N 3.03Å; A44-Q46 PolarHBondContact O-N 3.12Å; A44-Y47 WeakPolarHBondContact O-CB 3.32Å; A44-Y47 PolarHBondContact O-N 3.13Å; A44-V48 WeakPolarHBondContact O-CG2 3.44Å; A44-V48 PolarHBondContact O-N 3.26Å; A44-V48 VanDerWaalsContact O-N 3.09Å; A44-I157 HydrophobicContact CB-CG2 4.38Å; A44-I157 WeakPolarHBondContact CB-O 3.47Å; A44-I162 HydrophobicContact CB-CD1 3.66Å; A44-I162 WeakPolarHBondContact O-CD1 3.4Å |
| 45 | L | 91.6 | Very high | 86 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.4 | -32.4 | 179 | -62.5 | 179.7 | 0 | 0 | 0 | 113 | V24 L27 K28 N41 D42 Y47 V48 E49 L142 | V24-L45 HydrophobicContact CG1-CB 4Å; V24-L45 HydrophobicContact CG1-CD1 4.32Å; V24-L45 HydrophobicContact CG2-CB 4.46Å; L27-L45 HydrophobicContact CB-CD2 4.1Å; K28-L45 HydrophobicContact CB-CD1 3.57Å; K28-L45 HydrophobicContact CD-CD1 4.02Å; K28-L45 HydrophobicContact CG-CD1 3.85Å; N41-L45 PolarHBondContact O-N 3.01Å; D42-L45 PolarHBondContact O-N 3.05Å; L45-Y47 VanDerWaalsContact C-N 3.34Å; L45-V48 PolarHBondContact O-N 3.3Å; L45-E49 PolarHBondContact O-N 3.19Å; L45-L142 HydrophobicContact CD2-CD2 4.17Å |
| 46 | Q | 90.8 | Very high | 86.8 | Confident | 88 Ų | 88 | 35.1 Ų | 35.1 | 41% | 0.411 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.7 | -41.1 | 171.6 | -75.6 | 172.8 | 21.2 | 0 | 0 | 111.5 | V24 D42 D43 A44 E49 E50 | V24-Q46 HydrophobicContact CG2-CG 3.79Å; D42-Q46 VanDerWaalsContact O-CG 3.28Å; D42-Q46 WeakPolarHBondContact O-CG 3.47Å; D42-Q46 PolarHBondContact O-N 2.99Å; D43-Q46 PolarHBondContact O-N 2.84Å; A44-Q46 PolarHBondContact O-N 3.12Å; Q46-E49 WeakPolarHBondContact O-CB 3.39Å; Q46-E49 PolarHBondContact O-N 3.1Å; Q46-E50 WeakPolarHBondContact O-CG 3.44Å; Q46-E50 PolarHBondContact O-N 3.38Å; Q46-E50 VanDerWaalsContact O-N 3.08Å |
| 47 | Y | 91.1 | Very high | 87.5 | Confident | 32 Ų | 32 | 33.9 Ų | 33.9 | 13% | 0.125 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.1 | -37.6 | 175.2 | -174.2 | -110.1 | 0 | 0 | 0 | 112.6 | D43 A44 L45 E49 E50 L51 K159 I162 K163 | D43-Y47 PolarHBondContact O-N 3.35Å; D43-Y47 VanDerWaalsContact O-N 3.12Å; A44-Y47 WeakPolarHBondContact O-CB 3.32Å; A44-Y47 PolarHBondContact O-N 3.13Å; L45-Y47 VanDerWaalsContact C-N 3.34Å; Y47-E49 VanDerWaalsContact C-N 3.35Å; Y47-E50 PolarHBondContact O-N 3.18Å; Y47-L51 HydrophobicContact CD1-CD1 4.25Å; Y47-L51 HydrophobicContact CE1-CD1 3.91Å; Y47-L51 HydrophobicContact CE1-CG 4.38Å; Y47-L51 WeakPolarHBondContact O-CG 3.49Å; Y47-L51 PolarHBondContact O-N 2.89Å; Y47-K159 HydrophobicContact CD1-CG 4.36Å; Y47-K159 HydrophobicContact CD2-CG 4.45Å; Y47-K159 HydrophobicContact CG-CD 4.37Å; Y47-K159 HydrophobicContact CG-CG 3.98Å; Y47-I162 HydrophobicContact CD1-CB 4.21Å; Y47-I162 HydrophobicContact CD1-CG2 3.79Å; Y47-I162 HydrophobicContact CE1-CG2 3.92Å; Y47-K163 HydrophobicContact CE1-CG 3.82Å |
| 48 | V | 92.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 172.4 | -179 | 0 | 0 | 0 | 0 | 110.8 | L27 A44 L45 E50 L51 I52 I141 L142 I162 | L27-V48 HydrophobicContact CD1-CB 4.07Å; L27-V48 HydrophobicContact CD1-CG1 3.93Å; L27-V48 HydrophobicContact CD2-CG1 4.05Å; A44-V48 WeakPolarHBondContact O-CG2 3.44Å; A44-V48 PolarHBondContact O-N 3.26Å; A44-V48 VanDerWaalsContact O-N 3.09Å; L45-V48 PolarHBondContact O-N 3.3Å; V48-E50 VanDerWaalsContact C-N 3.3Å; V48-E50 PolarHBondContact O-N 3.16Å; V48-L51 WeakPolarHBondContact O-CB 3.48Å; V48-L51 PolarHBondContact O-N 3.12Å; V48-L51 VanDerWaalsContact O-N 3.15Å; V48-I52 HydrophobicContact CG1-CG1 4.1Å; V48-I52 VanDerWaalsContact O-CG1 3.31Å; V48-I52 WeakPolarHBondContact O-CG1 3.46Å; V48-I52 PolarHBondContact O-N 3.05Å; V48-I141 HydrophobicContact CG2-CG2 4.36Å; V48-L142 HydrophobicContact CG2-CD2 4.2Å; V48-I162 HydrophobicContact CG2-CD1 3.62Å |
| 49 | E | 92 | Very high | 88.9 | Confident | 5 Ų | 5 | 30.4 Ų | 30.4 | 2% | 0.023 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.5 | -43 | 175.2 | 177 | 177.5 | 94.3 | 0 | 0 | 111.9 | R20 G21 L22 L23 V24 L27 L45 Q46 Y47 L51 I52 L53 | R20-E49 VanDerWaalsContact CA-OE1 3.3Å; R20-E49 WeakPolarHBondContact CA-OE1 3.49Å; G21-E49 WeakPolarHBondContact CA-OE2 3.49Å; G21-E49 PolarHBondContact N-OE1 3.34Å; G21-E49 PolarHBondContact N-OE2 2.69Å; L22-E49 PolarHBondContact N-OE2 3.34Å; L23-E49 WeakPolarHBondContact CA-OE2 3.4Å; L23-E49 HydrophobicContact CB-CB 4.31Å; L23-E49 HydrophobicContact CB-CG 3.95Å; L23-E49 WeakPolarHBondContact CB-OE2 3.39Å; L23-E49 HydrophobicContact CD1-CG 4.14Å; L23-E49 HydrophobicContact CG-CG 4.15Å; L23-E49 PolarHBondContact N-OE2 3.4Å; V24-E49 HydrophobicContact CG2-CB 4.45Å; V24-E49 PolarHBondContact N-OE2 3.1Å; V24-E49 VanDerWaalsContact N-OE2 3.1Å; L27-E49 HydrophobicContact CD1-CB 4.05Å; L45-E49 PolarHBondContact O-N 3.19Å; Q46-E49 WeakPolarHBondContact O-CB 3.39Å; Q46-E49 PolarHBondContact O-N 3.1Å; Y47-E49 VanDerWaalsContact C-N 3.35Å; E49-L51 PolarHBondContact O-N 2.85Å; E49-I52 PolarHBondContact O-N 3.3Å; E49-L53 HydrophobicContact CG-CD1 3.97Å; E49-L53 HydrophobicContact CG-CG 4.49Å; E49-L53 VanDerWaalsContact O-CG 3.26Å; E49-L53 WeakPolarHBondContact O-CG 3.02Å; E49-L53 PolarHBondContact O-N 3.18Å |
| 50 | E | 90.5 | Very high | 89.3 | Confident | 61 Ų | 61 | 27.4 Ų | 27.4 | 29% | 0.285 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 175.3 | -68.2 | 175.6 | 174.2 | 0 | 0 | 112.1 | F11 Q46 Y47 V48 L53 Q54 | F11-E50 HydrophobicContact CE1-CG 4.34Å; F11-E50 HydrophobicContact CZ-CB 4.38Å; F11-E50 HydrophobicContact CZ-CG 3.9Å; Q46-E50 WeakPolarHBondContact O-CG 3.44Å; Q46-E50 PolarHBondContact O-N 3.38Å; Q46-E50 VanDerWaalsContact O-N 3.08Å; Y47-E50 PolarHBondContact O-N 3.18Å; V48-E50 VanDerWaalsContact C-N 3.3Å; V48-E50 PolarHBondContact O-N 3.16Å; E50-L53 PolarHBondContact O-N 3.32Å; E50-Q54 PolarHBondContact O-N 2.63Å |
| 51 | L | 91 | Very high | 89.5 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.7 | -45.7 | 175.9 | -65.1 | 174 | 0 | 0 | 0 | 111.5 | Y47 V48 E49 L53 Q54 L55 I141 M166 F176 | Y47-L51 HydrophobicContact CD1-CD1 4.25Å; Y47-L51 HydrophobicContact CE1-CD1 3.91Å; Y47-L51 HydrophobicContact CE1-CG 4.38Å; Y47-L51 WeakPolarHBondContact O-CG 3.49Å; Y47-L51 PolarHBondContact O-N 2.89Å; V48-L51 WeakPolarHBondContact O-CB 3.48Å; V48-L51 PolarHBondContact O-N 3.12Å; V48-L51 VanDerWaalsContact O-N 3.15Å; E49-L51 PolarHBondContact O-N 2.85Å; L51-L53 VanDerWaalsContact C-N 3.3Å; L51-L53 PolarHBondContact O-N 3.44Å; L51-Q54 WeakPolarHBondContact O-CB 3.43Å; L51-Q54 PolarHBondContact O-N 3.22Å; L51-Q54 VanDerWaalsContact O-N 3.12Å; L51-L55 PolarHBondContact O-N 3.16Å; L51-I141 HydrophobicContact CD1-CD1 4.29Å; L51-M166 HydrophobicContact CD1-CE 3.97Å; L51-F176 HydrophobicContact CB-CD1 4.42Å; L51-F176 HydrophobicContact CB-CE1 4.02Å; L51-F176 HydrophobicContact CB-CZ 4.13Å; L51-F176 HydrophobicContact CD2-CB 4.5Å; L51-F176 HydrophobicContact CD2-CD1 4.19Å; L51-F176 HydrophobicContact CD2-CG 4.21Å; L51-F176 WeakPolarHBondContact O-CE1 3.36Å |
| 52 | I | 92.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.6 | -34 | -179.4 | -62.3 | -57.3 | 0 | 0 | 0 | 111.8 | L23 V48 E49 L55 L56 L134 I137 S138 I141 | L23-I52 HydrophobicContact CD1-CB 4.17Å; L23-I52 HydrophobicContact CD1-CG2 3.75Å; V48-I52 HydrophobicContact CG1-CG1 4.1Å; V48-I52 VanDerWaalsContact O-CG1 3.31Å; V48-I52 WeakPolarHBondContact O-CG1 3.46Å; V48-I52 PolarHBondContact O-N 3.05Å; E49-I52 PolarHBondContact O-N 3.3Å; I52-L55 WeakPolarHBondContact O-CB 3.39Å; I52-L55 PolarHBondContact O-N 2.91Å; I52-L56 WeakPolarHBondContact O-CB 3.4Å; I52-L56 PolarHBondContact O-N 3.17Å; I52-L134 HydrophobicContact CG2-CB 3.98Å; I52-L134 HydrophobicContact CG2-CD1 4.22Å; I52-L134 HydrophobicContact CG2-CD2 4.05Å; I52-L134 HydrophobicContact CG2-CG 4.29Å; I52-I137 HydrophobicContact CD1-CB 4.41Å; I52-I137 HydrophobicContact CD1-CG2 4.07Å; I52-S138 VanDerWaalsContact CD1-OG 3.23Å; I52-S138 WeakPolarHBondContact CD1-OG 3.49Å; I52-S138 WeakPolarHBondContact CG1-OG 3.43Å; I52-I141 HydrophobicContact CD1-CD1 4.26Å |
| 53 | L | 90.2 | Very high | 89.4 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.4 | -38.7 | 172.5 | -69.9 | 166.7 | 0 | 0 | 0 | 111.9 | F10 F11 W19 E49 E50 L51 L55 L56 N57 | F10-L53 HydrophobicContact CD1-CB 4.36Å; F10-L53 HydrophobicContact CD1-CD2 3.77Å; F10-L53 HydrophobicContact CE1-CD2 4.18Å; F10-L53 HydrophobicContact CG-CB 4.42Å; F11-L53 HydrophobicContact CE1-CD1 4.3Å; F11-L53 HydrophobicContact CZ-CD1 3.98Å; W19-L53 HydrophobicContact CB-CD1 4.1Å; W19-L53 HydrophobicContact CB-CD2 4.16Å; W19-L53 HydrophobicContact CD2-CD2 3.81Å; W19-L53 HydrophobicContact CE3-CD2 3.27Å; W19-L53 HydrophobicContact CG-CD2 4.22Å; W19-L53 HydrophobicContact CZ3-CD2 3.82Å; E49-L53 HydrophobicContact CG-CD1 3.97Å; E49-L53 HydrophobicContact CG-CG 4.49Å; E49-L53 VanDerWaalsContact O-CG 3.26Å; E49-L53 WeakPolarHBondContact O-CG 3.02Å; E49-L53 PolarHBondContact O-N 3.18Å; E50-L53 PolarHBondContact O-N 3.32Å; L51-L53 VanDerWaalsContact C-N 3.3Å; L51-L53 PolarHBondContact O-N 3.44Å; L53-L55 VanDerWaalsContact C-N 3.34Å; L53-L56 PolarHBondContact O-N 3.03Å; L53-N57 PolarHBondContact O-N 3.35Å |
| 54 | Q | 88.9 | Confident | 89.4 | Confident | 91 Ų | 91 | 30.8 Ų | 30.8 | 43% | 0.425 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 173.6 | -171.5 | -178.2 | -7.9 | 0 | 0 | 111.6 | E50 L51 L56 N57 M58 F176 | E50-Q54 PolarHBondContact O-N 2.63Å; L51-Q54 WeakPolarHBondContact O-CB 3.43Å; L51-Q54 PolarHBondContact O-N 3.22Å; L51-Q54 VanDerWaalsContact O-N 3.12Å; Q54-L56 VanDerWaalsContact C-N 3.34Å; Q54-L56 PolarHBondContact O-N 3.01Å; Q54-N57 WeakPolarHBondContact O-CB 3.31Å; Q54-N57 PolarHBondContact O-N 2.83Å; Q54-M58 PolarHBondContact O-N 3.45Å; Q54-F176 PolarHBondContact NE2-O 3.31Å |
| 55 | L | 90.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.3 | -44.8 | 173.8 | -179.2 | 57.7 | 0 | 0 | 0 | 111.6 | L51 I52 L53 N57 M58 L59 F78 L134 I137 M175 F176 | L51-L55 PolarHBondContact O-N 3.16Å; I52-L55 WeakPolarHBondContact O-CB 3.39Å; I52-L55 PolarHBondContact O-N 2.91Å; L53-L55 VanDerWaalsContact C-N 3.34Å; L55-N57 VanDerWaalsContact C-N 3.27Å; L55-N57 PolarHBondContact O-N 3.31Å; L55-M58 HydrophobicContact CD1-CE 3.23Å; L55-M58 PolarHBondContact O-N 3.45Å; L55-M58 VanDerWaalsContact O-N 3.16Å; L55-L59 HydrophobicContact CD1-CG 4.39Å; L55-L59 HydrophobicContact CG-CD1 4.27Å; L55-L59 WeakPolarHBondContact O-CG 3.46Å; L55-L59 PolarHBondContact O-N 2.87Å; L55-F78 HydrophobicContact CD1-CE2 3.73Å; L55-F78 HydrophobicContact CD1-CZ 3.58Å; L55-F78 HydrophobicContact CD2-CZ 4.17Å; L55-F78 HydrophobicContact CG-CZ 4.34Å; L55-L134 HydrophobicContact CB-CD2 4.22Å; L55-L134 HydrophobicContact CD2-CD2 3.84Å; L55-L134 HydrophobicContact CG-CD2 3.89Å; L55-I137 HydrophobicContact CD2-CB 3.75Å; L55-I137 HydrophobicContact CD2-CG1 3.69Å; L55-I137 HydrophobicContact CD2-CG2 3.84Å; L55-M175 HydrophobicContact CD1-SD 4.23Å; L55-F176 HydrophobicContact CB-CE1 3.93Å; L55-F176 HydrophobicContact CB-CZ 4.41Å |
| 56 | L | 91.2 | Very high | 89.1 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.9 | -40.3 | -180 | 176.9 | 60.4 | 0 | 0 | 0 | 111.7 | F10 W19 I52 L53 Q54 L59 C60 L114 I130 L134 | F10-L56 HydrophobicContact CE1-CD2 4.14Å; W19-L56 HydrophobicContact CH2-CD2 3.63Å; W19-L56 HydrophobicContact CZ3-CD2 3.66Å; I52-L56 WeakPolarHBondContact O-CB 3.4Å; I52-L56 PolarHBondContact O-N 3.17Å; L53-L56 PolarHBondContact O-N 3.03Å; Q54-L56 VanDerWaalsContact C-N 3.34Å; Q54-L56 PolarHBondContact O-N 3.01Å; L56-L59 PolarHBondContact O-N 3.38Å; L56-C60 WeakPolarHBondContact O-CB 3.24Å; L56-C60 PolarHBondContact O-N 3.08Å; L56-C60 PolarHBondContact O-SG 3.27Å; L56-L114 HydrophobicContact CD1-CD2 3.39Å; L56-L114 HydrophobicContact CD2-CD2 4.09Å; L56-L114 HydrophobicContact CG-CD2 4.21Å; L56-I130 HydrophobicContact CD1-CG2 3.58Å; L56-L134 HydrophobicContact CB-CD1 4.24Å; L56-L134 HydrophobicContact CB-CD2 4.11Å; L56-L134 HydrophobicContact CD1-CD1 4.05Å; L56-L134 HydrophobicContact CD2-CD1 4.46Å; L56-L134 HydrophobicContact CG-CD1 4.47Å |
| 57 | N | 88 | Confident | 89.1 | Confident | 46 Ų | 46 | 37.1 Ų | 37.1 | 25% | 0.246 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.7 | -49.1 | 174.1 | -160.7 | 14.3 | 0 | 0 | 0 | 111.9 | F10 L53 Q54 L55 L59 C60 Q61 | F10-N57 HydrophobicContact CE2-CB 3.45Å; F10-N57 VanDerWaalsContact CE2-CB 3.45Å; F10-N57 HydrophobicContact CZ-CB 3.86Å; L53-N57 PolarHBondContact O-N 3.35Å; Q54-N57 WeakPolarHBondContact O-CB 3.31Å; Q54-N57 PolarHBondContact O-N 2.83Å; L55-N57 VanDerWaalsContact C-N 3.27Å; L55-N57 PolarHBondContact O-N 3.31Å; N57-L59 VanDerWaalsContact C-N 3.27Å; N57-L59 PolarHBondContact O-N 2.98Å; N57-C60 PolarHBondContact O-N 3.4Å; N57-C60 VanDerWaalsContact O-N 3.12Å; N57-Q61 PolarHBondContact O-N 2.91Å |
| 58 | M | 85.7 | Confident | 89 | Confident | 32 Ų | 32 | 39.5 Ų | 39.5 | 16% | 0.158 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.1 | -37.5 | -178.8 | 177 | 176.5 | 55.3 | 0 | 0 | 112.5 | Q54 L55 R73 F78 M175 | Q54-M58 PolarHBondContact O-N 3.45Å; L55-M58 HydrophobicContact CD1-CE 3.23Å; L55-M58 PolarHBondContact O-N 3.45Å; L55-M58 VanDerWaalsContact O-N 3.16Å; M58-R73 PolarHBondContact O-NE 3.05Å; M58-R73 VanDerWaalsContact O-NE 3.1Å; M58-R73 PolarHBondContact O-NH2 3.12Å; M58-F78 HydrophobicContact CE-CE2 4.27Å; M58-M175 HydrophobicContact CE-CG 3.9Å |
| 59 | L | 88.6 | Confident | 89 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.9 | -41.1 | 175.1 | -68.1 | 178.6 | 0 | 0 | 0 | 111.8 | L55 L56 N57 R73 V74 F78 V133 L134 | L55-L59 HydrophobicContact CD1-CG 4.39Å; L55-L59 HydrophobicContact CG-CD1 4.27Å; L55-L59 WeakPolarHBondContact O-CG 3.46Å; L55-L59 PolarHBondContact O-N 2.87Å; L56-L59 PolarHBondContact O-N 3.38Å; N57-L59 VanDerWaalsContact C-N 3.27Å; N57-L59 PolarHBondContact O-N 2.98Å; L59-R73 HydrophobicContact CD2-CG 4.15Å; L59-V74 HydrophobicContact CD2-CG2 3.9Å; L59-F78 HydrophobicContact CD2-CE2 3.76Å; L59-F78 HydrophobicContact CD2-CZ 4.28Å; L59-V133 HydrophobicContact CD1-CB 4.5Å; L59-V133 HydrophobicContact CD1-CG1 4.02Å; L59-L134 HydrophobicContact CD1-CD2 4.32Å |
| 60 | C | 88.5 | Confident | 88.9 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.034 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -75 | -24.3 | -178.5 | -67.1 | 0 | 0 | 0 | 0 | 113.8 | L56 N57 A62 Q63 V117 L118 | L56-C60 WeakPolarHBondContact O-CB 3.24Å; L56-C60 PolarHBondContact O-N 3.08Å; L56-C60 PolarHBondContact O-SG 3.27Å; N57-C60 PolarHBondContact O-N 3.4Å; N57-C60 VanDerWaalsContact O-N 3.12Å; C60-A62 PolarHBondContact O-N 3.25Å; C60-A62 VanDerWaalsContact O-N 3.15Å; C60-Q63 WeakPolarHBondContact O-CA 3.34Å; C60-Q63 PolarHBondContact O-N 3.03Å; C60-V117 HydrophobicContact CB-CG1 3.78Å; C60-L118 HydrophobicContact CB-CD2 3.66Å; C60-L118 HydrophobicContact CB-CG 4.33Å; C60-L118 WeakPolarHBondContact O-CD2 3.46Å |
| 61 | Q | 85.4 | Confident | 89 | Confident | 136 Ų | 136 | 41.2 Ų | 41.2 | 64% | 0.636 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -26.7 | -179.6 | -165.5 | 179.6 | 16.5 | 0 | 0 | 113.1 | N57 Q63 | N57-Q61 PolarHBondContact O-N 2.91Å; Q61-Q63 PolarHBondContact O-N 3.27Å |
| 62 | A | 82.9 | Confident | 89 | Confident | 53 Ų | 53 | 45.8 Ų | 45.8 | 44% | 0.438 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | C60 R73 | C60-A62 PolarHBondContact O-N 3.25Å; C60-A62 VanDerWaalsContact O-N 3.15Å; A62-R73 HydrophobicContact CB-CB 4.32Å; A62-R73 HydrophobicContact CB-CG 3.91Å |
| 63 | Q | 86.5 | Confident | 88.9 | Confident | 82 Ų | 82 | 48.8 Ų | 48.8 | 38% | 0.383 | 25% | 0.249 | S | C | . | . | trans | 47.3 | 57.9 | -174.8 | -62.2 | -170.6 | -8.9 | 0 | 0 | 113.2 | C60 Q61 R65 Y120 | C60-Q63 WeakPolarHBondContact O-CA 3.34Å; C60-Q63 PolarHBondContact O-N 3.03Å; Q61-Q63 PolarHBondContact O-N 3.27Å; Q63-R65 PolarHBondContact O-N 3.23Å; Q63-Y120 VanDerWaalsContact CA-OH 3.23Å; Q63-Y120 WeakPolarHBondContact CA-OH 3.37Å; Q63-Y120 HydrophobicContact CB-CE1 4Å; Q63-Y120 HydrophobicContact CG-CE1 4.31Å; Q63-Y120 PolarHBondContact O-OH 3.41Å | ||
| 64 | P | 88 | Confident | 88.9 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.019 | 25% | 0.249 | C | C | . | . | trans | -65.4 | 132.9 | 178.1 | 28.2 | -34.5 | 0 | 0 | 0 | 111.4 | D69 V70 L118 Y120 | P64-D69 HydrophobicContact CB-CB 3.68Å; P64-V70 HydrophobicContact CB-CB 4.47Å; P64-V70 HydrophobicContact CB-CG2 3.57Å; P64-V70 HydrophobicContact CG-CG2 3.79Å; P64-L118 HydrophobicContact CG-CD2 4.48Å; P64-Y120 VanDerWaalsContact C-OH 3.27Å; P64-Y120 PolarHBondContact O-OH 2.85Å | ||
| 65 | R | 87.3 | Confident | 88.9 | Confident | 161 Ų | 161 | 49.2 Ų | 49.2 | 61% | 0.608 | 25% | 0.251 | S | S | * | . | trans | -102.8 | -25.1 | 177.4 | -66.4 | -176.9 | 178.8 | -86.8 | -5.5 | 112.3 | Q63 D69 Y120 | Q63-R65 PolarHBondContact O-N 3.23Å; R65-D69 WeakPolarHBondContact CA-OD2 3.28Å; R65-D69 PolarHBondContact N-OD2 2.85Å; R65-Y120 HydrophobicContact CG-CE2 3.93Å | ||
| 66 | S | 90.7 | Very high | 88.7 | Confident | 44 Ų | 44 | 56.3 Ų | 56.3 | 31% | 0.308 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -122.7 | 164.4 | 178.2 | 89.1 | 0 | 0 | 0 | 0 | 111.7 | S68 D69 V70 | S66-S68 PolarHBondContact O-N 2.83Å; S66-S68 WeakPolarHBondContact OG-CB 3.48Å; S66-S68 PolarHBondContact OG-N 2.94Å; S66-D69 PolarHBondContact N-OD2 3.23Å; S66-D69 WeakPolarHBondContact O-CB 3.46Å; S66-D69 PolarHBondContact O-N 3.32Å; S66-D69 PolarHBondContact OG-N 2.96Å; S66-D69 PolarHBondContact OG-OD1 2.72Å; S66-V70 PolarHBondContact O-N 3.45Å |
| 67 | A | 88.8 | Confident | 88.4 | Confident | 18 Ų | 18 | 57.1 Ų | 57.1 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64 | -30.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | D69 V70 E71 I94 Y129 | A67-D69 VanDerWaalsContact C-N 3.31Å; A67-D69 PolarHBondContact O-N 2.92Å; A67-V70 PolarHBondContact O-N 3.37Å; A67-E71 PolarHBondContact O-N 2.65Å; A67-I94 HydrophobicContact CB-CD1 3.74Å; A67-Y129 HydrophobicContact CB-CD2 4.48Å; A67-Y129 HydrophobicContact CB-CG 4.35Å |
| 68 | S | 89.8 | Confident | 88.3 | Confident | 82 Ų | 82 | 55.3 Ų | 55.3 | 57% | 0.573 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -65.3 | -35.1 | 174.8 | -168.7 | 0 | 0 | 0 | 0 | 111.9 | S66 V70 E71 E72 | S66-S68 PolarHBondContact O-N 2.83Å; S66-S68 WeakPolarHBondContact OG-CB 3.48Å; S66-S68 PolarHBondContact OG-N 2.94Å; S68-V70 VanDerWaalsContact C-N 3.32Å; S68-E71 WeakPolarHBondContact O-CB 3.16Å; S68-E71 PolarHBondContact O-N 3.29Å; S68-E72 PolarHBondContact O-N 2.65Å |
| 69 | D | 91.5 | Very high | 88 | Confident | 58 Ų | 58 | 55 Ų | 55 | 31% | 0.31 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.9 | -36.5 | 178.3 | -49.1 | -6.3 | 0 | 0 | 0 | 110.4 | P64 R65 S66 A67 R73 | P64-D69 HydrophobicContact CB-CB 3.68Å; R65-D69 WeakPolarHBondContact CA-OD2 3.28Å; R65-D69 PolarHBondContact N-OD2 2.85Å; S66-D69 PolarHBondContact N-OD2 3.23Å; S66-D69 WeakPolarHBondContact O-CB 3.46Å; S66-D69 PolarHBondContact O-N 3.32Å; S66-D69 PolarHBondContact OG-N 2.96Å; S66-D69 PolarHBondContact OG-OD1 2.72Å; A67-D69 VanDerWaalsContact C-N 3.31Å; A67-D69 PolarHBondContact O-N 2.92Å; D69-R73 PolarHBondContact O-N 3.44Å; D69-R73 VanDerWaalsContact O-N 3.07Å |
| 70 | V | 91.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 173.9 | -172.4 | 0 | 0 | 0 | 0 | 110.1 | P64 S66 A67 S68 E72 R73 V74 V126 Y129 I130 | P64-V70 HydrophobicContact CB-CB 4.47Å; P64-V70 HydrophobicContact CB-CG2 3.57Å; P64-V70 HydrophobicContact CG-CG2 3.79Å; S66-V70 PolarHBondContact O-N 3.45Å; A67-V70 PolarHBondContact O-N 3.37Å; S68-V70 VanDerWaalsContact C-N 3.32Å; V70-E72 PolarHBondContact O-N 3.33Å; V70-R73 WeakPolarHBondContact O-CB 3.26Å; V70-R73 PolarHBondContact O-N 3.49Å; V70-V74 HydrophobicContact CG1-CG2 4.44Å; V70-V74 WeakPolarHBondContact O-CG2 3.27Å; V70-V74 PolarHBondContact O-N 3.45Å; V70-V126 HydrophobicContact CG2-CG1 3.87Å; V70-Y129 HydrophobicContact CB-CD1 3.76Å; V70-Y129 HydrophobicContact CB-CE1 4.02Å; V70-Y129 HydrophobicContact CG1-CD1 3.62Å; V70-Y129 HydrophobicContact CG1-CE1 3.91Å; V70-I130 HydrophobicContact CG1-CG1 3.86Å; V70-I130 HydrophobicContact CG2-CD1 4.18Å; V70-I130 HydrophobicContact CG2-CG1 3.87Å |
| 71 | E | 92 | Very high | 86.5 | Confident | 45 Ų | 45 | 60.6 Ų | 60.6 | 21% | 0.21 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.6 | -47.9 | 176.5 | -174.3 | 167.7 | 154.8 | 0 | 0 | 111.8 | A67 S68 R73 V74 Q75 I87 Q91 Y129 | A67-E71 PolarHBondContact O-N 2.65Å; S68-E71 WeakPolarHBondContact O-CB 3.16Å; S68-E71 PolarHBondContact O-N 3.29Å; E71-R73 VanDerWaalsContact C-N 3.28Å; E71-R73 PolarHBondContact O-N 3.33Å; E71-V74 PolarHBondContact O-N 3.25Å; E71-V74 VanDerWaalsContact O-N 3.16Å; E71-Q75 WeakPolarHBondContact O-CG 3.45Å; E71-Q75 PolarHBondContact O-N 3.04Å; E71-I87 HydrophobicContact CG-CD1 4.18Å; E71-I87 HydrophobicContact CG-CG1 4.12Å; E71-I87 HydrophobicContact CG-CG2 3.8Å; E71-I87 WeakPolarHBondContact OE1-CG2 3.36Å; E71-Q91 VanDerWaalsContact CD-NE2 3.29Å; E71-Q91 PolarHBondContact OE1-NE2 2.88Å; E71-Q91 VanDerWaalsContact OE1-NE2 3.12Å; E71-Q91 PolarHBondContact OE2-NE2 2.91Å; E71-Y129 HydrophobicContact CB-CE1 4.29Å; E71-Y129 VanDerWaalsContact CB-OH 3.32Å; E71-Y129 WeakPolarHBondContact CB-OH 3.48Å; E71-Y129 WeakPolarHBondContact CG-OH 3.28Å; E71-Y129 PolarHBondContact OE2-OH 3.28Å |
| 72 | E | 90.6 | Very high | 86.4 | Confident | 99 Ų | 99 | 54.2 Ų | 54.2 | 46% | 0.463 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.6 | -38.7 | 176.7 | -169.7 | -172.6 | 162.9 | 0 | 0 | 111.7 | S68 V70 K76 | S68-E72 PolarHBondContact O-N 2.65Å; V70-E72 PolarHBondContact O-N 3.33Å; E72-K76 HydrophobicContact CG-CD 4.34Å; E72-K76 WeakPolarHBondContact O-CG 3.21Å; E72-K76 PolarHBondContact O-N 3.3Å; E72-K76 VanDerWaalsContact O-N 3.17Å; E72-K76 WeakPolarHBondContact OE1-CE 3.48Å; E72-K76 IonicContact OE1-NZ 2.6Å; E72-K76 PolarHBondContact OE1-NZ 2.9Å |
| 73 | R | 90.9 | Very high | 86.5 | Confident | 65 Ų | 65 | 52.8 Ų | 52.8 | 25% | 0.245 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65 | -43 | 175.7 | -179.1 | 54.3 | 171 | 175.6 | 1 | 111.5 | M58 L59 A62 D69 V70 E71 K76 S77 | M58-R73 PolarHBondContact O-NE 3.05Å; M58-R73 VanDerWaalsContact O-NE 3.1Å; M58-R73 PolarHBondContact O-NH2 3.12Å; L59-R73 HydrophobicContact CD2-CG 4.15Å; A62-R73 HydrophobicContact CB-CB 4.32Å; A62-R73 HydrophobicContact CB-CG 3.91Å; D69-R73 PolarHBondContact O-N 3.44Å; D69-R73 VanDerWaalsContact O-N 3.07Å; V70-R73 WeakPolarHBondContact O-CB 3.26Å; V70-R73 PolarHBondContact O-N 3.49Å; E71-R73 VanDerWaalsContact C-N 3.28Å; E71-R73 PolarHBondContact O-N 3.33Å; R73-K76 PolarHBondContact O-N 2.82Å; R73-S77 WeakPolarHBondContact O-CB 3.25Å; R73-S77 PolarHBondContact O-N 2.69Å; R73-S77 PolarHBondContact O-OG 3.38Å |
| 74 | V | 90.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 176.9 | 174.1 | 0 | 0 | 0 | 0 | 110 | L59 V70 E71 K76 S77 F78 A86 I87 V133 | L59-V74 HydrophobicContact CD2-CG2 3.9Å; V70-V74 HydrophobicContact CG1-CG2 4.44Å; V70-V74 WeakPolarHBondContact O-CG2 3.27Å; V70-V74 PolarHBondContact O-N 3.45Å; E71-V74 PolarHBondContact O-N 3.25Å; E71-V74 VanDerWaalsContact O-N 3.16Å; V74-K76 PolarHBondContact O-N 3.12Å; V74-S77 PolarHBondContact O-N 2.94Å; V74-F78 HydrophobicContact CB-CD2 4.5Å; V74-F78 HydrophobicContact CG1-CB 4.31Å; V74-F78 HydrophobicContact CG1-CD1 4Å; V74-F78 HydrophobicContact CG1-CD2 4.08Å; V74-F78 HydrophobicContact CG1-CE1 4.25Å; V74-F78 HydrophobicContact CG1-CE2 4.37Å; V74-F78 HydrophobicContact CG1-CG 3.89Å; V74-F78 HydrophobicContact CG1-CZ 4.42Å; V74-F78 HydrophobicContact CG2-CE2 4.36Å; V74-F78 HydrophobicContact CG2-CZ 4.48Å; V74-F78 VanDerWaalsContact O-CB 3.31Å; V74-F78 WeakPolarHBondContact O-CB 3.49Å; V74-F78 PolarHBondContact O-N 2.95Å; V74-A86 HydrophobicContact CG1-CB 4.36Å; V74-I87 HydrophobicContact CB-CG1 4.22Å; V74-I87 HydrophobicContact CG1-CD1 4.14Å; V74-I87 HydrophobicContact CG1-CG1 3.77Å; V74-V133 HydrophobicContact CG2-CG1 4.18Å; V74-V133 HydrophobicContact CG2-CG2 4.14Å |
| 75 | Q | 88.6 | Confident | 86.2 | Confident | 102 Ų | 102 | 57.7 Ų | 57.7 | 48% | 0.477 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.8 | -33.9 | 178.3 | -68.8 | 178.5 | -1.8 | 0 | 0 | 113.6 | E71 I87 | E71-Q75 WeakPolarHBondContact O-CG 3.45Å; E71-Q75 PolarHBondContact O-N 3.04Å; Q75-I87 HydrophobicContact CB-CD1 4.45Å; Q75-I87 HydrophobicContact CG-CD1 3.24Å |
| 76 | K | 86.4 | Confident | 86.2 | Confident | 149 Ų | 149 | 50 Ų | 50 | 65% | 0.648 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -84.7 | -28.7 | -178.7 | -74.2 | 175.9 | 174.5 | 173.6 | 0 | 114.2 | E72 R73 V74 | E72-K76 HydrophobicContact CG-CD 4.34Å; E72-K76 WeakPolarHBondContact O-CG 3.21Å; E72-K76 PolarHBondContact O-N 3.3Å; E72-K76 VanDerWaalsContact O-N 3.17Å; E72-K76 WeakPolarHBondContact OE1-CE 3.48Å; E72-K76 IonicContact OE1-NZ 2.6Å; E72-K76 PolarHBondContact OE1-NZ 2.9Å; R73-K76 PolarHBondContact O-N 2.82Å; V74-K76 PolarHBondContact O-N 3.12Å |
| 77 | S | 84 | Confident | 86.2 | Confident | 19 Ų | 19 | 48.5 Ų | 48.5 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -103.4 | -26.5 | -172 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | R73 V74 | R73-S77 WeakPolarHBondContact O-CB 3.25Å; R73-S77 PolarHBondContact O-N 2.69Å; R73-S77 PolarHBondContact O-OG 3.38Å; V74-S77 PolarHBondContact O-N 2.94Å |
| 78 | F | 85.4 | Confident | 86.1 | Confident | 8 Ų | 8 | 50.3 Ų | 50.3 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -92.4 | 136 | -178.3 | -73.8 | -139.4 | 0 | 0 | 0 | 108.6 | L55 M58 L59 V74 I82 D83 A86 V133 I137 M175 | L55-F78 HydrophobicContact CD1-CE2 3.73Å; L55-F78 HydrophobicContact CD1-CZ 3.58Å; L55-F78 HydrophobicContact CD2-CZ 4.17Å; L55-F78 HydrophobicContact CG-CZ 4.34Å; M58-F78 HydrophobicContact CE-CE2 4.27Å; L59-F78 HydrophobicContact CD2-CE2 3.76Å; L59-F78 HydrophobicContact CD2-CZ 4.28Å; V74-F78 HydrophobicContact CB-CD2 4.5Å; V74-F78 HydrophobicContact CG1-CB 4.31Å; V74-F78 HydrophobicContact CG1-CD1 4Å; V74-F78 HydrophobicContact CG1-CD2 4.08Å; V74-F78 HydrophobicContact CG1-CE1 4.25Å; V74-F78 HydrophobicContact CG1-CE2 4.37Å; V74-F78 HydrophobicContact CG1-CG 3.89Å; V74-F78 HydrophobicContact CG1-CZ 4.42Å; V74-F78 HydrophobicContact CG2-CE2 4.36Å; V74-F78 HydrophobicContact CG2-CZ 4.48Å; V74-F78 VanDerWaalsContact O-CB 3.31Å; V74-F78 WeakPolarHBondContact O-CB 3.49Å; V74-F78 PolarHBondContact O-N 2.95Å; F78-I82 HydrophobicContact CB-CG2 4.26Å; F78-D83 HydrophobicContact CB-CB 3.82Å; F78-A86 HydrophobicContact CD1-CB 4.37Å; F78-A86 HydrophobicContact CE1-CB 4.31Å; F78-V133 HydrophobicContact CE1-CG1 3.83Å; F78-V133 HydrophobicContact CZ-CG1 3.59Å; F78-I137 HydrophobicContact CD1-CD1 4.21Å; F78-I137 HydrophobicContact CE1-CD1 3.72Å; F78-I137 HydrophobicContact CE1-CG1 3.72Å; F78-I137 HydrophobicContact CZ-CG1 4.36Å; F78-M175 HydrophobicContact CD1-SD 3.88Å; F78-M175 HydrophobicContact CD2-SD 4.29Å; F78-M175 HydrophobicContact CE1-SD 3.92Å; F78-M175 HydrophobicContact CE2-SD 4.31Å; F78-M175 HydrophobicContact CG-SD 4.09Å; F78-M175 HydrophobicContact CZ-SD 4.16Å |
| 79 | P | 80.2 | Confident | 85.9 | Confident | 26 Ų | 26 | 48.3 Ų | 48.3 | 17% | 0.169 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 156.8 | 175.2 | -21.7 | 32.6 | 0 | 0 | 0 | 112.6 | I82 D83 V171 D174 | P79-I82 WeakPolarHBondContact O-CG2 3.49Å; P79-I82 PolarHBondContact O-N 3.41Å; P79-I82 VanDerWaalsContact O-N 3.15Å; P79-D83 PolarHBondContact O-N 2.95Å; P79-V171 HydrophobicContact CB-CG1 4.18Å; P79-V171 HydrophobicContact CG-CG1 4.17Å; P79-D174 HydrophobicContact CG-CB 4.36Å |
| 80 | H | 72.5 | Confident | 85.7 | Confident | 97 Ų | 97 | 45.6 Ų | 45.6 | 45% | 0.449 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 138.5 | 171.9 | -164.5 | 66 | 0 | 0 | 0 | 110.8 | D83 | H80-D83 WeakPolarHBondContact CA-OD1 3.32Å; H80-D83 IonicContact CE1-OD1 3.51Å; H80-D83 IonicContact CG-OD1 3.45Å; H80-D83 IonicContact ND1-OD1 2.75Å; H80-D83 PolarHBondContact ND1-OD1 3.09Å; H80-D83 IonicContact ND1-OD2 3.87Å |
| 81 | P | 73.6 | Confident | 85.6 | Confident | 25 Ų | 25 | 49 Ų | 49 | 16% | 0.162 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -98.8 | 11 | 2.9 | 38.7 | -35 | 0 | 0 | 0 | 115.8 | D83 K84 W85 T549 | P81-D83 WeakPolarHBondContact CA-OD1 3.38Å; P81-D83 PolarHBondContact O-N 3.3Å; P81-K84 PolarHBondContact O-N 3.35Å; P81-W85 HydrophobicContact CG-CZ2 4.35Å; P81-W85 PolarHBondContact O-N 2.99Å; P81-T549 HydrophobicContact CG-CG2 4.4Å |
| 82 | I | 82.3 | Confident | 85.2 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.9 | -32.1 | -177.2 | -168.7 | 173.4 | 0 | 0 | 0 | 111.5 | F78 P79 K84 W85 A86 Y136 I137 D140 V171 L172 | F78-I82 HydrophobicContact CB-CG2 4.26Å; P79-I82 WeakPolarHBondContact O-CG2 3.49Å; P79-I82 PolarHBondContact O-N 3.41Å; P79-I82 VanDerWaalsContact O-N 3.15Å; I82-K84 PolarHBondContact O-N 2.96Å; I82-W85 PolarHBondContact O-N 3.29Å; I82-A86 VanDerWaalsContact O-CB 3.31Å; I82-A86 WeakPolarHBondContact O-CB 3.15Å; I82-A86 PolarHBondContact O-N 3.01Å; I82-Y136 HydrophobicContact CG1-CE1 4.06Å; I82-I137 HydrophobicContact CD1-CD1 3.49Å; I82-I137 VanDerWaalsContact CD1-CD1 3.49Å; I82-I137 HydrophobicContact CG1-CD1 4.04Å; I82-D140 WeakPolarHBondContact CD1-OD2 3.37Å; I82-V171 HydrophobicContact CB-CG1 3.94Å; I82-V171 HydrophobicContact CD1-CG1 4.11Å; I82-V171 HydrophobicContact CG2-CG1 3.37Å; I82-L172 HydrophobicContact CD1-CD2 4.25Å |
| 83 | D | 85.5 | Confident | 84.8 | Confident | 22 Ų | 22 | 44.5 Ų | 44.5 | 12% | 0.118 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -50.8 | -53.7 | 171.8 | 65.7 | -30 | 0 | 0 | 0 | 112.2 | F78 P79 H80 P81 W85 A86 I87 | F78-D83 HydrophobicContact CB-CB 3.82Å; P79-D83 PolarHBondContact O-N 2.95Å; H80-D83 WeakPolarHBondContact CA-OD1 3.32Å; H80-D83 IonicContact CE1-OD1 3.51Å; H80-D83 IonicContact CG-OD1 3.45Å; H80-D83 IonicContact ND1-OD1 2.75Å; H80-D83 PolarHBondContact ND1-OD1 3.09Å; H80-D83 IonicContact ND1-OD2 3.87Å; P81-D83 WeakPolarHBondContact CA-OD1 3.38Å; P81-D83 PolarHBondContact O-N 3.3Å; D83-W85 VanDerWaalsContact C-N 3.3Å; D83-W85 PolarHBondContact O-N 3.19Å; D83-A86 PolarHBondContact O-N 3.26Å; D83-I87 WeakPolarHBondContact O-CB 2.88Å; D83-I87 VanDerWaalsContact O-CD1 3.27Å; D83-I87 WeakPolarHBondContact O-CD1 3.48Å; D83-I87 WeakPolarHBondContact O-CG1 3.46Å; D83-I87 PolarHBondContact O-N 3.08Å |
| 84 | K | 84.5 | Confident | 84.4 | Confident | 138 Ų | 138 | 43.4 Ų | 43.4 | 60% | 0.6 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -64.1 | -37.2 | -174.6 | -171.3 | 177.9 | -179.8 | -179.2 | 0 | 111.7 | P81 I82 A88 | P81-K84 PolarHBondContact O-N 3.35Å; I82-K84 PolarHBondContact O-N 2.96Å; K84-A88 WeakPolarHBondContact O-CB 3.48Å; K84-A88 PolarHBondContact O-N 3.19Å; K84-A88 VanDerWaalsContact O-N 3.14Å |
| 85 | W | 84.1 | Confident | 83.8 | Confident | 51 Ų | 51 | 48.3 Ų | 48.3 | 19% | 0.193 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -78.5 | -39.6 | -177.9 | -57.9 | -0 | 0 | 0 | 0 | 111.5 | P81 I82 D83 I87 A88 D89 Y136 R552 M553 V556 | P81-W85 HydrophobicContact CG-CZ2 4.35Å; P81-W85 PolarHBondContact O-N 2.99Å; I82-W85 PolarHBondContact O-N 3.29Å; D83-W85 VanDerWaalsContact C-N 3.3Å; D83-W85 PolarHBondContact O-N 3.19Å; W85-I87 VanDerWaalsContact C-N 3.31Å; W85-I87 PolarHBondContact O-N 3.17Å; W85-A88 PolarHBondContact O-N 2.84Å; W85-D89 PolarHBondContact O-N 2.95Å; W85-Y136 HydrophobicContact CB-CE1 4.42Å; W85-Y136 HydrophobicContact CB-CE2 4.31Å; W85-Y136 WeakPolarHBondContact CB-OH 3.46Å; W85-R552 HydrophobicContact CH2-CB 3.75Å; W85-R552 VanDerWaalsContact CH2-O 3.3Å; W85-R552 WeakPolarHBondContact CH2-O 3.26Å; W85-R552 HydrophobicContact CZ3-CB 3.65Å; W85-R552 HydrophobicContact CZ3-CG 4.5Å; W85-R552 WeakPolarHBondContact CZ3-O 3.37Å; W85-M553 HydrophobicContact CH2-CG 4.36Å; W85-M553 HydrophobicContact CZ2-CG 4.37Å; W85-V556 HydrophobicContact CD2-CG2 3.88Å; W85-V556 HydrophobicContact CE3-CG2 3.36Å; W85-V556 HydrophobicContact CH2-CB 4.18Å; W85-V556 HydrophobicContact CH2-CG2 3.55Å; W85-V556 HydrophobicContact CZ2-CB 4.45Å; W85-V556 HydrophobicContact CZ2-CG2 4.01Å; W85-V556 HydrophobicContact CZ3-CB 4.25Å; W85-V556 HydrophobicContact CZ3-CG2 3.17Å |
| 86 | A | 87.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V74 F78 I82 D83 D89 A90 Y136 | V74-A86 HydrophobicContact CG1-CB 4.36Å; F78-A86 HydrophobicContact CD1-CB 4.37Å; F78-A86 HydrophobicContact CE1-CB 4.31Å; I82-A86 VanDerWaalsContact O-CB 3.31Å; I82-A86 WeakPolarHBondContact O-CB 3.15Å; I82-A86 PolarHBondContact O-N 3.01Å; D83-A86 PolarHBondContact O-N 3.26Å; A86-D89 PolarHBondContact O-N 3.39Å; A86-A90 VanDerWaalsContact O-CB 3.28Å; A86-A90 WeakPolarHBondContact O-CB 3.25Å; A86-A90 PolarHBondContact O-N 3.5Å; A86-Y136 HydrophobicContact CB-CD1 3.66Å; A86-Y136 HydrophobicContact CB-CE1 3.95Å; A86-Y136 HydrophobicContact CB-CG 4.35Å |
| 87 | I | 89.8 | Confident | 81.5 | Confident | 11 Ų | 11 | 53.7 Ų | 53.7 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 176.3 | -68.1 | 162.1 | 0 | 0 | 0 | 111 | E71 V74 Q75 D83 W85 D89 A90 Q91 | E71-I87 HydrophobicContact CG-CD1 4.18Å; E71-I87 HydrophobicContact CG-CG1 4.12Å; E71-I87 HydrophobicContact CG-CG2 3.8Å; E71-I87 WeakPolarHBondContact OE1-CG2 3.36Å; V74-I87 HydrophobicContact CB-CG1 4.22Å; V74-I87 HydrophobicContact CG1-CD1 4.14Å; V74-I87 HydrophobicContact CG1-CG1 3.77Å; Q75-I87 HydrophobicContact CB-CD1 4.45Å; Q75-I87 HydrophobicContact CG-CD1 3.24Å; D83-I87 WeakPolarHBondContact O-CB 2.88Å; D83-I87 VanDerWaalsContact O-CD1 3.27Å; D83-I87 WeakPolarHBondContact O-CD1 3.48Å; D83-I87 WeakPolarHBondContact O-CG1 3.46Å; D83-I87 PolarHBondContact O-N 3.08Å; W85-I87 VanDerWaalsContact C-N 3.31Å; W85-I87 PolarHBondContact O-N 3.17Å; I87-D89 PolarHBondContact O-N 3.37Å; I87-A90 PolarHBondContact O-N 3.15Å; I87-Q91 HydrophobicContact CG2-CG 4.27Å; I87-Q91 WeakPolarHBondContact O-CB 3.5Å; I87-Q91 VanDerWaalsContact O-CG 3.28Å; I87-Q91 WeakPolarHBondContact O-CG 3Å; I87-Q91 PolarHBondContact O-N 3Å |
| 88 | A | 86.3 | Confident | 80.3 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 46% | 0.463 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K84 W85 S92 | K84-A88 WeakPolarHBondContact O-CB 3.48Å; K84-A88 PolarHBondContact O-N 3.19Å; K84-A88 VanDerWaalsContact O-N 3.14Å; W85-A88 PolarHBondContact O-N 2.84Å; A88-S92 PolarHBondContact O-N 2.85Å |
| 89 | D | 85.4 | Confident | 79.2 | Confident | 41 Ų | 41 | 65.9 Ų | 65.9 | 22% | 0.219 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 176.5 | -166.5 | 55.3 | 0 | 0 | 0 | 111.9 | W85 A86 I87 S92 A93 R99 Y136 | W85-D89 PolarHBondContact O-N 2.95Å; A86-D89 PolarHBondContact O-N 3.39Å; I87-D89 PolarHBondContact O-N 3.37Å; D89-S92 WeakPolarHBondContact O-CB 3.42Å; D89-S92 PolarHBondContact O-N 3.35Å; D89-A93 PolarHBondContact O-N 2.97Å; D89-A93 VanDerWaalsContact O-N 3.08Å; D89-R99 IonicContact OD1-CZ 2.69Å; D89-R99 IonicContact OD1-NH1 3.61Å; D89-R99 PolarHBondContact OD1-NH1 3.02Å; D89-R99 IonicContact OD2-CZ 2.9Å; D89-R99 IonicContact OD2-NH1 2.91Å; D89-R99 PolarHBondContact OD2-NH1 3.46Å; D89-R99 IonicContact OD2-NH2 3.67Å; D89-R99 PolarHBondContact OD2-NH2 2.84Å; D89-Y136 HydrophobicContact CB-CD2 3.69Å; D89-Y136 HydrophobicContact CB-CE2 4.36Å; D89-Y136 HydrophobicContact CB-CG 4.34Å |
| 90 | A | 88.7 | Confident | 78.2 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A86 I87 S92 A93 I94 Y129 A132 V133 | A86-A90 VanDerWaalsContact O-CB 3.28Å; A86-A90 WeakPolarHBondContact O-CB 3.25Å; A86-A90 PolarHBondContact O-N 3.5Å; I87-A90 PolarHBondContact O-N 3.15Å; A90-S92 VanDerWaalsContact C-N 3.35Å; A90-A93 WeakPolarHBondContact O-CB 3.39Å; A90-A93 PolarHBondContact O-N 3.44Å; A90-I94 PolarHBondContact O-N 3.38Å; A90-Y129 HydrophobicContact CB-CD1 4.16Å; A90-Y129 HydrophobicContact CB-CD2 3.71Å; A90-Y129 HydrophobicContact CB-CE1 3.93Å; A90-Y129 HydrophobicContact CB-CE2 3.53Å; A90-Y129 HydrophobicContact CB-CG 4.09Å; A90-A132 HydrophobicContact CB-CB 4.03Å; A90-V133 HydrophobicContact CB-CG2 3.67Å |
| 91 | Q | 87.8 | Confident | 77.8 | Confident | 73 Ų | 73 | 70.8 Ų | 70.8 | 34% | 0.341 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 171.3 | -74.7 | 176.7 | -7 | 0 | 0 | 110.9 | E71 I87 A93 I94 E95 Y129 | E71-Q91 VanDerWaalsContact CD-NE2 3.29Å; E71-Q91 PolarHBondContact OE1-NE2 2.88Å; E71-Q91 VanDerWaalsContact OE1-NE2 3.12Å; E71-Q91 PolarHBondContact OE2-NE2 2.91Å; I87-Q91 HydrophobicContact CG2-CG 4.27Å; I87-Q91 WeakPolarHBondContact O-CB 3.5Å; I87-Q91 VanDerWaalsContact O-CG 3.28Å; I87-Q91 WeakPolarHBondContact O-CG 3Å; I87-Q91 PolarHBondContact O-N 3Å; Q91-A93 PolarHBondContact O-N 3.47Å; Q91-I94 PolarHBondContact O-N 2.97Å; Q91-E95 WeakPolarHBondContact O-CG 3.39Å; Q91-E95 PolarHBondContact O-N 3.33Å; Q91-Y129 HydrophobicContact CG-CE2 4.04Å |
| 92 | S | 83.8 | Confident | 77.7 | Confident | 30 Ų | 30 | 75 Ų | 75 | 21% | 0.21 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.2 | -29.9 | 175.8 | -174.1 | 0 | 0 | 0 | 0 | 112.9 | A88 D89 A90 | A88-S92 PolarHBondContact O-N 2.85Å; D89-S92 WeakPolarHBondContact O-CB 3.42Å; D89-S92 PolarHBondContact O-N 3.35Å; A90-S92 VanDerWaalsContact C-N 3.35Å |
| 93 | A | 82.8 | Confident | 77.6 | Confident | 18 Ų | 18 | 76.4 Ų | 76.4 | 15% | 0.149 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -71.2 | -34 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D89 A90 Q91 V128 A132 | D89-A93 PolarHBondContact O-N 2.97Å; D89-A93 VanDerWaalsContact O-N 3.08Å; A90-A93 WeakPolarHBondContact O-CB 3.39Å; A90-A93 PolarHBondContact O-N 3.44Å; Q91-A93 PolarHBondContact O-N 3.47Å; A93-V128 HydrophobicContact CB-CG1 4.29Å; A93-A132 HydrophobicContact CB-CB 3.6Å |
| 94 | I | 82 | Confident | 77.5 | Confident | 43 Ų | 43 | 76.6 Ų | 76.6 | 22% | 0.221 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -72 | -44.3 | 174.7 | -73.5 | -175.5 | 0 | 0 | 0 | 111.8 | A67 A90 Q91 K96 Q125 Y129 | A67-I94 HydrophobicContact CB-CD1 3.74Å; A90-I94 PolarHBondContact O-N 3.38Å; Q91-I94 PolarHBondContact O-N 2.97Å; I94-K96 PolarHBondContact O-N 3.25Å; I94-Q125 HydrophobicContact CD1-CG 3.92Å; I94-Q125 HydrophobicContact CG1-CG 4.03Å; I94-Q125 HydrophobicContact CG2-CG 4.29Å; I94-Y129 HydrophobicContact CD1-CD2 3.28Å; I94-Y129 HydrophobicContact CD1-CE2 4.07Å; I94-Y129 HydrophobicContact CD1-CG 4.03Å; I94-Y129 HydrophobicContact CG1-CD2 3.86Å |
| 95 | E | 78 | Confident | 77.5 | Confident | 103 Ų | 103 | 70 Ų | 70 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 0.5 | -171.3 | -71.3 | -170.3 | 166.2 | 0 | 0 | 114.1 | Q91 R97 | Q91-E95 WeakPolarHBondContact O-CG 3.39Å; Q91-E95 PolarHBondContact O-N 3.33Å; E95-R97 HydrophobicContact CB-CG 4.05Å; E95-R97 PolarHBondContact O-N 3.4Å; E95-R97 IonicContact OE1-NH2 3.26Å; E95-R97 IonicContact OE2-CZ 3.93Å; E95-R97 IonicContact OE2-NE 3.95Å; E95-R97 PolarHBondContact OE2-NE 3.5Å; E95-R97 IonicContact OE2-NH2 2.87Å; E95-R97 PolarHBondContact OE2-NH2 3.48Å |
| 96 | K | 65.7 | Low | 77.7 | Confident | 197 Ų | 197 | 69.2 Ų | 69.2 | 86% | 0.857 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 23.3 | -176.4 | -60.9 | -174.7 | -178.2 | 179.6 | 0 | 113.5 | I94 | I94-K96 PolarHBondContact O-N 3.25Š|
| 97 | R | 61.1 | Low | 77.7 | Confident | 167 Ų | 167 | 70.3 Ų | 70.3 | 63% | 0.63 | 35% | 0.345 | S | S | * | . | trans | -59.8 | 156.7 | 170.3 | -65.7 | -166.8 | -167.1 | -170.1 | 10.2 | 108.1 | E95 R99 | E95-R97 HydrophobicContact CB-CG 4.05Å; E95-R97 PolarHBondContact O-N 3.4Å; E95-R97 IonicContact OE1-NH2 3.26Å; E95-R97 IonicContact OE2-CZ 3.93Å; E95-R97 IonicContact OE2-NE 3.95Å; E95-R97 PolarHBondContact OE2-NE 3.5Å; E95-R97 IonicContact OE2-NH2 2.87Å; E95-R97 PolarHBondContact OE2-NH2 3.48Å; R97-R99 PolarHBondContact O-N 3.33Å | ||
| 98 | K | 58.8 | Low | 77.6 | Confident | 219 Ų | 219 | 77.9 Ų | 77.9 | 95% | 0.952 | 38% | 0.38 | S | S | * | . | trans | -59.1 | 76.6 | 176.8 | -66.4 | 179.9 | 178.4 | -179.9 | 0 | 110.8 | ||||
| 99 | R | 63.1 | Low | 77.6 | Confident | 64 Ų | 64 | 81.5 Ų | 81.5 | 24% | 0.242 | 39% | 0.385 | C | S | . | . | trans | -67.6 | 135.6 | 169.2 | -169.7 | -178.7 | 171.2 | 102.4 | -3.5 | 106.7 | D89 R97 N101 E135 | D89-R99 IonicContact OD1-CZ 2.69Å; D89-R99 IonicContact OD1-NH1 3.61Å; D89-R99 PolarHBondContact OD1-NH1 3.02Å; D89-R99 IonicContact OD2-CZ 2.9Å; D89-R99 IonicContact OD2-NH1 2.91Å; D89-R99 PolarHBondContact OD2-NH1 3.46Å; D89-R99 IonicContact OD2-NH2 3.67Å; D89-R99 PolarHBondContact OD2-NH2 2.84Å; R97-R99 PolarHBondContact O-N 3.33Å; R99-N101 VanDerWaalsContact CD-O 3.29Å; R99-N101 WeakPolarHBondContact CD-O 3.44Å; R99-N101 VanDerWaalsContact CG-O 3.29Å; R99-N101 WeakPolarHBondContact CG-O 3.46Å; R99-N101 PolarHBondContact O-N 2.88Å; R99-N101 VanDerWaalsContact O-N 3.15Å; R99-E135 IonicContact CZ-OE1 3.71Å; R99-E135 IonicContact NE-OE1 2.92Å; R99-E135 IonicContact NH2-OE1 3.22Å; R99-E135 PolarHBondContact NH2-OE1 2.95Å | ||
| 100 | R | 59.4 | Low | 77.9 | Confident | 150 Ų | 150 | 79.6 Ų | 79.6 | 57% | 0.566 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -52.4 | -39.6 | -174.7 | -86.4 | -173.1 | 174.3 | -171.4 | -0.2 | 111.9 | E562 | R100-E562 IonicContact CZ-OE1 2.68Å; R100-E562 VanDerWaalsContact CZ-OE1 3.3Å; R100-E562 IonicContact NH1-OE1 3.37Å; R100-E562 PolarHBondContact NH1-OE1 3.02Å; R100-E562 IonicContact NH2-OE1 3.77Å; R100-E562 PolarHBondContact NH2-OE1 3.01Å |
| 101 | N | 63.5 | Low | 78 | Confident | 75 Ų | 75 | 81 Ų | 81 | 40% | 0.401 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -135.2 | 148.6 | 174 | -66.6 | -36.8 | 0 | 0 | 0 | 110.1 | Q33 R99 | Q33-N101 PolarHBondContact NE2-ND2 3.08Å; R99-N101 VanDerWaalsContact CD-O 3.29Å; R99-N101 WeakPolarHBondContact CD-O 3.44Å; R99-N101 VanDerWaalsContact CG-O 3.29Å; R99-N101 WeakPolarHBondContact CG-O 3.46Å; R99-N101 PolarHBondContact O-N 2.88Å; R99-N101 VanDerWaalsContact O-N 3.15Å |
| 102 | P | 71.6 | Confident | 78.1 | Confident | 115 Ų | 115 | 80.8 Ų | 80.8 | 75% | 0.747 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -52.5 | 157.1 | 160.6 | -20.9 | 32.5 | 0 | 0 | 0 | 110.5 | S104 | P102-S104 PolarHBondContact O-N 3.24Å; P102-S104 VanDerWaalsContact O-N 3.11Å |
| 103 | L | 80.4 | Confident | 78.4 | Confident | 32 Ų | 32 | 80.4 Ų | 80.4 | 17% | 0.168 | 38% | 0.382 | C | S | . | . | trans | -51.2 | 123 | 176.1 | -68 | 171.5 | 0 | 0 | 0 | 109.7 | L105 V107 V128 V131 A132 E135 | L103-L105 VanDerWaalsContact C-N 3.29Å; L103-V107 HydrophobicContact CB-CG2 3.96Å; L103-V107 HydrophobicContact CD1-CG2 3.69Å; L103-V107 HydrophobicContact CG-CG2 4.47Å; L103-V128 HydrophobicContact CD1-CG1 3.99Å; L103-V131 HydrophobicContact CD1-CB 4.33Å; L103-V131 HydrophobicContact CD1-CG1 4.14Å; L103-A132 HydrophobicContact CD1-CB 4.35Å; L103-A132 HydrophobicContact CD2-CB 3.97Å; L103-E135 VanDerWaalsContact C-OE2 3.25Å; L103-E135 WeakPolarHBondContact CA-OE2 3.06Å; L103-E135 WeakPolarHBondContact CB-OE2 3.24Å; L103-E135 HydrophobicContact CD2-CB 4.29Å; L103-E135 VanDerWaalsContact CD2-OE2 3.24Å; L103-E135 WeakPolarHBondContact CD2-OE2 3.34Å | ||
| 104 | S | 82.9 | Confident | 78.7 | Confident | 25 Ų | 25 | 79.6 Ų | 79.6 | 18% | 0.175 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -71 | -31.7 | -177.3 | -64 | 0 | 0 | 0 | 0 | 110.9 | A26 Q33 P102 E135 | A26-S104 VanDerWaalsContact CB-O 3.29Å; A26-S104 WeakPolarHBondContact CB-O 3.45Å; Q33-S104 PolarHBondContact NE2-OG 3.21Å; P102-S104 PolarHBondContact O-N 3.24Å; P102-S104 VanDerWaalsContact O-N 3.11Å; S104-E135 PolarHBondContact N-OE2 3.29Å |
| 105 | L | 85.8 | Confident | 79 | Confident | 1 Ų | 1 | 80.8 Ų | 80.8 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -71.1 | 138.1 | 174.1 | -60.5 | -175.9 | 0 | 0 | 0 | 110.3 | L23 A26 L27 L103 V107 I110 V131 L134 E135 | L23-L105 HydrophobicContact CD2-CD2 4.26Å; A26-L105 HydrophobicContact CB-CD2 3.81Å; L27-L105 HydrophobicContact CD2-CD2 4.27Å; L103-L105 VanDerWaalsContact C-N 3.29Å; L105-V107 PolarHBondContact O-N 3.01Å; L105-I110 HydrophobicContact CB-CD1 4.22Å; L105-V131 HydrophobicContact CB-CG1 3.7Å; L105-V131 HydrophobicContact CD1-CG1 4.32Å; L105-L134 HydrophobicContact CD1-CB 3.9Å; L105-E135 HydrophobicContact CD1-CB 4.01Å; L105-E135 HydrophobicContact CG-CB 4.26Å |
| 106 | P | 87.4 | Confident | 79.4 | Confident | 34 Ų | 34 | 79.6 Ų | 79.6 | 22% | 0.221 | 37% | 0.373 | C | S | . | . | trans | -75 | 85.7 | -170.5 | 30.5 | -35.9 | 0 | 0 | 0 | 112.1 | L22 E108 K109 I110 | L22-P106 HydrophobicContact CD1-CG 4.1Å; L22-P106 HydrophobicContact CG-CG 4.38Å; P106-E108 PolarHBondContact O-N 2.99Å; P106-K109 HydrophobicContact CB-CB 4.06Å; P106-K109 HydrophobicContact CB-CD 4.08Å; P106-K109 HydrophobicContact CB-CG 4.07Å; P106-K109 HydrophobicContact CG-CB 4.24Å; P106-K109 HydrophobicContact CG-CD 4.3Å; P106-K109 PolarHBondContact O-N 3.28Å; P106-I110 WeakPolarHBondContact O-CG1 3.33Å; P106-I110 PolarHBondContact O-N 2.64Å | ||
| 107 | V | 88.2 | Confident | 80.4 | Confident | 22 Ų | 22 | 71.2 Ų | 71.2 | 13% | 0.133 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -52.4 | -41.2 | -179.6 | -175.6 | 0 | 0 | 0 | 0 | 111.8 | L103 L105 K109 I110 H111 V128 V131 | L103-V107 HydrophobicContact CB-CG2 3.96Å; L103-V107 HydrophobicContact CD1-CG2 3.69Å; L103-V107 HydrophobicContact CG-CG2 4.47Å; L105-V107 PolarHBondContact O-N 3.01Å; V107-K109 VanDerWaalsContact C-N 3.27Å; V107-K109 PolarHBondContact O-N 3.14Å; V107-I110 PolarHBondContact O-N 3.45Å; V107-H111 VanDerWaalsContact O-CB 3.24Å; V107-H111 WeakPolarHBondContact O-CB 3.32Å; V107-H111 PolarHBondContact O-N 3.03Å; V107-V128 HydrophobicContact CG1-CG2 3.99Å; V107-V131 HydrophobicContact CG2-CB 4.25Å; V107-V131 HydrophobicContact CG2-CG1 3.88Å |
| 108 | E | 86.6 | Confident | 81.7 | Confident | 170 Ų | 170 | 63.5 Ų | 63.5 | 79% | 0.794 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.9 | -29.4 | -179.9 | -62.9 | -172.9 | 173.5 | 0 | 0 | 113.4 | P106 P112 | P106-E108 PolarHBondContact O-N 2.99Å; E108-P112 WeakPolarHBondContact O-CD 3.46Å; E108-P112 WeakPolarHBondContact O-CG 3.48Å |
| 109 | K | 87.2 | Confident | 82.9 | Confident | 133 Ų | 133 | 55.6 Ų | 55.6 | 58% | 0.578 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -84.3 | -35.2 | 175.6 | -63.4 | -172.2 | 178.3 | -175 | 0 | 111.8 | L22 P106 V107 P112 L113 | L22-K109 HydrophobicContact CD1-CB 3.84Å; L22-K109 HydrophobicContact CD1-CD 3.46Å; L22-K109 VanDerWaalsContact CD1-CD 3.46Å; L22-K109 HydrophobicContact CD1-CG 4.3Å; P106-K109 HydrophobicContact CB-CB 4.06Å; P106-K109 HydrophobicContact CB-CD 4.08Å; P106-K109 HydrophobicContact CB-CG 4.07Å; P106-K109 HydrophobicContact CG-CB 4.24Å; P106-K109 HydrophobicContact CG-CD 4.3Å; P106-K109 PolarHBondContact O-N 3.28Å; V107-K109 VanDerWaalsContact C-N 3.27Å; V107-K109 PolarHBondContact O-N 3.14Å; K109-P112 WeakPolarHBondContact O-CD 3.39Å; K109-L113 WeakPolarHBondContact O-CD1 3.48Å; K109-L113 WeakPolarHBondContact O-CG 3.3Å |
| 110 | I | 90.2 | Very high | 84.1 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -76 | -38.1 | -179.1 | -62.4 | 167.7 | 0 | 0 | 0 | 111.1 | L22 L23 L105 P106 V107 L113 L114 V131 | L22-I110 HydrophobicContact CD2-CG1 4.33Å; L23-I110 HydrophobicContact CD2-CD1 3.93Å; L105-I110 HydrophobicContact CB-CD1 4.22Å; P106-I110 WeakPolarHBondContact O-CG1 3.33Å; P106-I110 PolarHBondContact O-N 2.64Å; V107-I110 PolarHBondContact O-N 3.45Å; I110-L113 CarbonylContact O-C 3.47Å; I110-L113 WeakPolarHBondContact O-CB 3.34Å; I110-L113 PolarHBondContact O-N 2.98Å; I110-L114 HydrophobicContact CG2-CD1 3.89Å; I110-L114 HydrophobicContact CG2-CD2 4.24Å; I110-L114 HydrophobicContact CG2-CG 3.78Å; I110-L114 WeakPolarHBondContact O-CG 3.31Å; I110-L114 PolarHBondContact O-N 3.41Å; I110-V131 HydrophobicContact CB-CG2 4.07Å; I110-V131 HydrophobicContact CD1-CG1 4.23Å; I110-V131 HydrophobicContact CD1-CG2 3.92Å; I110-V131 HydrophobicContact CG2-CG2 3.78Å |
| 111 | H | 91.4 | Very high | 85.5 | Confident | 28 Ų | 28 | 55.6 Ų | 55.6 | 13% | 0.13 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.7 | -44.7 | -176.2 | 173.8 | 72.7 | 0 | 0 | 0 | 114.6 | V107 K115 H124 S127 | V107-H111 VanDerWaalsContact O-CB 3.24Å; V107-H111 WeakPolarHBondContact O-CB 3.32Å; V107-H111 PolarHBondContact O-N 3.03Å; H111-K115 VanDerWaalsContact CE1-CE 3.41Å; H111-K115 WeakPolarHBondContact CE1-CE 3.28Å; H111-K115 WeakPolarHBondContact NE2-CE 3.33Å; H111-K115 PolarHBondContact NE2-NZ 2.64Å; H111-H124 AromaticContact CG-ND1 3.97Å; H111-S127 VanDerWaalsContact ND1-CB 3.34Å; H111-S127 WeakPolarHBondContact ND1-CB 3.43Å; H111-S127 PolarHBondContact ND1-OG 3.03Å |
| 112 | P | 89.9 | Confident | 86.7 | Confident | 70 Ų | 70 | 52.2 Ų | 52.2 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 172.4 | -23.1 | 33.7 | 0 | 0 | 0 | 112.6 | E108 K109 L114 K115 E116 | E108-P112 WeakPolarHBondContact O-CD 3.46Å; E108-P112 WeakPolarHBondContact O-CG 3.48Å; K109-P112 WeakPolarHBondContact O-CD 3.39Å; P112-L114 VanDerWaalsContact C-N 3.34Å; P112-L114 PolarHBondContact O-N 3.28Å; P112-K115 WeakPolarHBondContact O-CB 3.44Å; P112-K115 PolarHBondContact O-N 3.42Å; P112-E116 PolarHBondContact O-N 3.39Å |
| 113 | L | 90.2 | Very high | 87.6 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67 | -34.9 | -178.9 | -59.4 | 175.6 | 0 | 0 | 0 | 111.9 | K18 W19 L22 K109 I110 K115 E116 V117 | K18-L113 HydrophobicContact CB-CD2 4.12Å; K18-L113 HydrophobicContact CD-CD2 3.97Å; W19-L113 HydrophobicContact CD2-CD1 4.11Å; W19-L113 HydrophobicContact CE3-CD1 3.98Å; W19-L113 HydrophobicContact CH2-CB 3.49Å; W19-L113 VanDerWaalsContact CH2-CB 3.49Å; W19-L113 HydrophobicContact CH2-CD1 3.96Å; W19-L113 HydrophobicContact CH2-CG 4.36Å; W19-L113 HydrophobicContact CZ2-CB 3.49Å; W19-L113 VanDerWaalsContact CZ2-CB 3.49Å; W19-L113 HydrophobicContact CZ2-CD1 4.03Å; W19-L113 HydrophobicContact CZ2-CG 4.25Å; W19-L113 HydrophobicContact CZ3-CB 4.26Å; W19-L113 HydrophobicContact CZ3-CD1 3.93Å; L22-L113 HydrophobicContact CD2-CD1 3.87Å; K109-L113 WeakPolarHBondContact O-CD1 3.48Å; K109-L113 WeakPolarHBondContact O-CG 3.3Å; I110-L113 CarbonylContact O-C 3.47Å; I110-L113 WeakPolarHBondContact O-CB 3.34Å; I110-L113 PolarHBondContact O-N 2.98Å; L113-K115 VanDerWaalsContact C-N 3.26Å; L113-K115 PolarHBondContact O-N 3.43Å; L113-E116 WeakPolarHBondContact O-CA 3.43Å; L113-E116 VanDerWaalsContact O-CB 3.29Å; L113-E116 WeakPolarHBondContact O-CB 3.42Å; L113-E116 PolarHBondContact O-N 3.25Å; L113-V117 WeakPolarHBondContact O-CG2 3.46Å; L113-V117 PolarHBondContact O-N 3.08Å |
| 114 | L | 90 | Very high | 88.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.6 | -34.9 | 174 | -71.3 | 175.8 | 0 | 0 | 0 | 112.7 | L56 I110 P112 E116 V117 L118 I122 S127 I130 | L56-L114 HydrophobicContact CD1-CD2 3.39Å; L56-L114 HydrophobicContact CD2-CD2 4.09Å; L56-L114 HydrophobicContact CG-CD2 4.21Å; I110-L114 HydrophobicContact CG2-CD1 3.89Å; I110-L114 HydrophobicContact CG2-CD2 4.24Å; I110-L114 HydrophobicContact CG2-CG 3.78Å; I110-L114 WeakPolarHBondContact O-CG 3.31Å; I110-L114 PolarHBondContact O-N 3.41Å; P112-L114 VanDerWaalsContact C-N 3.34Å; P112-L114 PolarHBondContact O-N 3.28Å; L114-E116 VanDerWaalsContact C-N 3.27Å; L114-E116 PolarHBondContact O-N 2.81Å; L114-V117 PolarHBondContact O-N 3.33Å; L114-L118 VanDerWaalsContact O-CB 3.28Å; L114-L118 WeakPolarHBondContact O-CB 3.45Å; L114-L118 WeakPolarHBondContact O-CG 3.41Å; L114-L118 PolarHBondContact O-N 3.37Å; L114-I122 HydrophobicContact CB-CD1 3.98Å; L114-I122 HydrophobicContact CD1-CD1 4.29Å; L114-S127 WeakPolarHBondContact CD1-OG 3.5Å; L114-I130 HydrophobicContact CD1-CB 4.5Å; L114-I130 HydrophobicContact CD1-CD1 4.31Å; L114-I130 HydrophobicContact CD1-CG2 4.44Å; L114-I130 HydrophobicContact CD2-CG2 4.4Å |
| 115 | K | 87.7 | Confident | 88.5 | Confident | 69 Ų | 69 | 59.5 Ų | 59.5 | 30% | 0.3 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67 | -33.2 | 176 | -63 | 173.7 | -173.6 | 166.9 | 0 | 111.5 | H111 P112 L113 G119 Y120 I122 | H111-K115 VanDerWaalsContact CE1-CE 3.41Å; H111-K115 WeakPolarHBondContact CE1-CE 3.28Å; H111-K115 WeakPolarHBondContact NE2-CE 3.33Å; H111-K115 PolarHBondContact NE2-NZ 2.64Å; P112-K115 WeakPolarHBondContact O-CB 3.44Å; P112-K115 PolarHBondContact O-N 3.42Å; L113-K115 VanDerWaalsContact C-N 3.26Å; L113-K115 PolarHBondContact O-N 3.43Å; K115-G119 WeakPolarHBondContact O-CA 3.3Å; K115-G119 PolarHBondContact O-N 3.18Å; K115-Y120 PolarHBondContact O-N 3.15Å; K115-I122 HydrophobicContact CG-CG1 4.28Å |
| 116 | E | 86.6 | Confident | 88.7 | Confident | 77 Ų | 77 | 59.7 Ų | 59.7 | 36% | 0.36 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69 | -47.4 | 174.2 | -160.7 | -174.7 | 133.8 | 0 | 0 | 110.5 | Y8 N15 K18 P112 L113 L114 G119 | Y8-E116 HydrophobicContact CE2-CB 4.48Å; Y8-E116 HydrophobicContact CE2-CG 3.89Å; Y8-E116 VanDerWaalsContact CE2-OE1 3.32Å; Y8-E116 WeakPolarHBondContact CE2-OE1 3.23Å; Y8-E116 PolarHBondContact OH-OE1 3.39Å; N15-E116 PolarHBondContact OD1-OE1 2.77Å; K18-E116 VanDerWaalsContact NZ-CD 3.28Å; K18-E116 IonicContact NZ-OE1 2.7Å; K18-E116 PolarHBondContact NZ-OE1 3.24Å; K18-E116 IonicContact NZ-OE2 2.84Å; K18-E116 PolarHBondContact NZ-OE2 3.39Å; P112-E116 PolarHBondContact O-N 3.39Å; L113-E116 WeakPolarHBondContact O-CA 3.43Å; L113-E116 VanDerWaalsContact O-CB 3.29Å; L113-E116 WeakPolarHBondContact O-CB 3.42Å; L113-E116 PolarHBondContact O-N 3.25Å; L114-E116 VanDerWaalsContact C-N 3.27Å; L114-E116 PolarHBondContact O-N 2.81Å; E116-G119 PolarHBondContact O-N 2.88Å |
| 117 | V | 87.1 | Confident | 89 | Confident | 22 Ų | 22 | 58 Ų | 58 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.2 | -43.7 | -179.8 | 176.9 | 0 | 0 | 0 | 0 | 112.3 | Y8 F10 W19 C60 L113 L114 | Y8-V117 HydrophobicContact CD1-CG2 3.71Å; Y8-V117 HydrophobicContact CD2-CG2 4.16Å; Y8-V117 HydrophobicContact CE1-CG2 3.9Å; Y8-V117 HydrophobicContact CE2-CG2 4.34Å; Y8-V117 HydrophobicContact CG-CB 4.3Å; Y8-V117 HydrophobicContact CG-CG1 4.34Å; Y8-V117 HydrophobicContact CG-CG2 3.82Å; F10-V117 HydrophobicContact CE1-CG2 4.24Å; F10-V117 HydrophobicContact CZ-CG1 4.39Å; W19-V117 HydrophobicContact CH2-CG2 4.17Å; W19-V117 HydrophobicContact CZ2-CG2 3.64Å; C60-V117 HydrophobicContact CB-CG1 3.78Å; L113-V117 WeakPolarHBondContact O-CG2 3.46Å; L113-V117 PolarHBondContact O-N 3.08Å; L114-V117 PolarHBondContact O-N 3.33Å |
| 118 | L | 87.1 | Confident | 89.1 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -79.2 | -22.4 | -179.5 | -69.4 | 166.6 | 0 | 0 | 0 | 112.7 | C60 P64 L114 Y120 I122 | C60-L118 HydrophobicContact CB-CD2 3.66Å; C60-L118 HydrophobicContact CB-CG 4.33Å; C60-L118 WeakPolarHBondContact O-CD2 3.46Å; P64-L118 HydrophobicContact CG-CD2 4.48Å; L114-L118 VanDerWaalsContact O-CB 3.28Å; L114-L118 WeakPolarHBondContact O-CB 3.45Å; L114-L118 WeakPolarHBondContact O-CG 3.41Å; L114-L118 PolarHBondContact O-N 3.37Å; L118-Y120 VanDerWaalsContact C-N 3.3Å; L118-Y120 HydrophobicContact CB-CD1 4.24Å; L118-Y120 HydrophobicContact CB-CE1 3.83Å; L118-Y120 HydrophobicContact CB-CE2 4.45Å; L118-Y120 WeakPolarHBondContact O-CD1 3.23Å; L118-Y120 WeakPolarHBondContact O-CE1 3.31Å; L118-Y120 PolarHBondContact O-N 3.46Å; L118-I122 HydrophobicContact CD1-CD1 3.69Å; L118-I122 HydrophobicContact CD1-CG1 4.31Å; L118-I122 HydrophobicContact CD1-CG2 3.76Å |
| 119 | G | 84.4 | Confident | 89.4 | Confident | 54 Ų | 54 | 50.1 Ų | 50.1 | 56% | 0.557 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 76.2 | 9.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | K115 E116 | K115-G119 WeakPolarHBondContact O-CA 3.3Å; K115-G119 PolarHBondContact O-N 3.18Å; E116-G119 PolarHBondContact O-N 2.88Å |
| 120 | Y | 88.7 | Confident | 89.6 | Confident | 38 Ų | 38 | 43.8 Ų | 43.8 | 15% | 0.149 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -149.4 | 165.9 | 176.4 | 56.5 | -90.7 | 0 | 0 | 0 | 112.3 | Q63 P64 R65 K115 L118 I122 | Q63-Y120 VanDerWaalsContact CA-OH 3.23Å; Q63-Y120 WeakPolarHBondContact CA-OH 3.37Å; Q63-Y120 HydrophobicContact CB-CE1 4Å; Q63-Y120 HydrophobicContact CG-CE1 4.31Å; Q63-Y120 PolarHBondContact O-OH 3.41Å; P64-Y120 VanDerWaalsContact C-OH 3.27Å; P64-Y120 PolarHBondContact O-OH 2.85Å; R65-Y120 HydrophobicContact CG-CE2 3.93Å; K115-Y120 PolarHBondContact O-N 3.15Å; L118-Y120 VanDerWaalsContact C-N 3.3Å; L118-Y120 HydrophobicContact CB-CD1 4.24Å; L118-Y120 HydrophobicContact CB-CE1 3.83Å; L118-Y120 HydrophobicContact CB-CE2 4.45Å; L118-Y120 WeakPolarHBondContact O-CD1 3.23Å; L118-Y120 WeakPolarHBondContact O-CE1 3.31Å; L118-Y120 PolarHBondContact O-N 3.46Å; Y120-I122 HydrophobicContact CD2-CG2 3.83Å; Y120-I122 HydrophobicContact CE2-CG2 3.38Å; Y120-I122 PolarHBondContact O-N 3.43Å |
| 121 | K | 87.9 | Confident | 89.7 | Confident | 175 Ų | 175 | 43.8 Ų | 43.8 | 76% | 0.761 | 23% | 0.227 | S | C | * | . | trans | -73.9 | 126.7 | 177.4 | -170.7 | -178.8 | 178.1 | -174.5 | 0 | 110.3 | ||||
| 122 | I | 90.5 | Very high | 89.8 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | trans | -114.5 | 154.4 | 170.8 | 53.9 | 165.3 | 0 | 0 | 0 | 111.5 | L114 K115 L118 Y120 V126 S127 | L114-I122 HydrophobicContact CB-CD1 3.98Å; L114-I122 HydrophobicContact CD1-CD1 4.29Å; K115-I122 HydrophobicContact CG-CG1 4.28Å; L118-I122 HydrophobicContact CD1-CD1 3.69Å; L118-I122 HydrophobicContact CD1-CG1 4.31Å; L118-I122 HydrophobicContact CD1-CG2 3.76Å; Y120-I122 HydrophobicContact CD2-CG2 3.83Å; Y120-I122 HydrophobicContact CE2-CG2 3.38Å; Y120-I122 PolarHBondContact O-N 3.43Å; I122-V126 HydrophobicContact CB-CB 4.43Å; I122-V126 HydrophobicContact CD1-CB 4.5Å; I122-V126 HydrophobicContact CD1-CG1 4.42Å; I122-S127 WeakPolarHBondContact CD1-OG 3.14Å | ||
| 123 | D | 90 | Very high | 89.9 | Confident | 114 Ų | 114 | 39.1 Ų | 39.1 | 61% | 0.61 | 20% | 0.2 | S | C | * | . | trans | -69.3 | 148.3 | 174.3 | -68.3 | -18.3 | 0 | 0 | 0 | 111 | Q125 V126 S127 | D123-Q125 PolarHBondContact O-N 2.95Å; D123-V126 HydrophobicContact CB-CG2 4.19Å; D123-V126 WeakPolarHBondContact O-CB 3.25Å; D123-V126 PolarHBondContact O-N 2.84Å; D123-S127 PolarHBondContact O-N 2.78Å | ||
| 124 | H | 90.7 | Very high | 90 | Very high | 102 Ų | 102 | 38.1 Ų | 38.1 | 47% | 0.472 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.7 | -34.7 | -179.3 | -174.9 | 72.3 | 0 | 0 | 0 | 112.2 | H111 V126 S127 V128 | H111-H124 AromaticContact CG-ND1 3.97Å; H124-V126 VanDerWaalsContact C-N 3.29Å; H124-V126 PolarHBondContact O-N 3Å; H124-S127 WeakPolarHBondContact O-CB 3.5Å; H124-S127 PolarHBondContact O-N 3.35Å; H124-S127 VanDerWaalsContact O-N 3.15Å; H124-V128 WeakPolarHBondContact O-CG2 3.21Å; H124-V128 PolarHBondContact O-N 3.4Å |
| 125 | Q | 90.2 | Very high | 90.1 | Very high | 109 Ų | 109 | 38.6 Ų | 38.6 | 51% | 0.509 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.1 | -35.5 | 176.5 | -173.3 | 177.1 | -8.1 | 0 | 0 | 112.7 | I94 D123 V128 Y129 | I94-Q125 HydrophobicContact CD1-CG 3.92Å; I94-Q125 HydrophobicContact CG1-CG 4.03Å; I94-Q125 HydrophobicContact CG2-CG 4.29Å; D123-Q125 PolarHBondContact O-N 2.95Å; Q125-V128 PolarHBondContact O-N 2.97Å; Q125-Y129 PolarHBondContact O-N 3.36Å |
| 126 | V | 91.9 | Very high | 90.2 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.024 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.2 | -42.5 | 175.6 | -175.4 | 0 | 0 | 0 | 0 | 110 | V70 I122 D123 H124 Y129 I130 | V70-V126 HydrophobicContact CG2-CG1 3.87Å; I122-V126 HydrophobicContact CB-CB 4.43Å; I122-V126 HydrophobicContact CD1-CB 4.5Å; I122-V126 HydrophobicContact CD1-CG1 4.42Å; D123-V126 HydrophobicContact CB-CG2 4.19Å; D123-V126 WeakPolarHBondContact O-CB 3.25Å; D123-V126 PolarHBondContact O-N 2.84Å; H124-V126 VanDerWaalsContact C-N 3.29Å; H124-V126 PolarHBondContact O-N 3Å; V126-Y129 PolarHBondContact O-N 2.9Å; V126-I130 HydrophobicContact CG1-CD1 4.22Å; V126-I130 WeakPolarHBondContact O-CG1 3.29Å; V126-I130 PolarHBondContact O-N 2.87Å |
| 127 | S | 91.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 175.8 | -60.3 | 0 | 0 | 0 | 0 | 113.1 | H111 L114 I122 D123 H124 Y129 I130 V131 | H111-S127 VanDerWaalsContact ND1-CB 3.34Å; H111-S127 WeakPolarHBondContact ND1-CB 3.43Å; H111-S127 PolarHBondContact ND1-OG 3.03Å; L114-S127 WeakPolarHBondContact CD1-OG 3.5Å; I122-S127 WeakPolarHBondContact CD1-OG 3.14Å; D123-S127 PolarHBondContact O-N 2.78Å; H124-S127 WeakPolarHBondContact O-CB 3.5Å; H124-S127 PolarHBondContact O-N 3.35Å; H124-S127 VanDerWaalsContact O-N 3.15Å; S127-Y129 VanDerWaalsContact C-N 3.29Å; S127-Y129 PolarHBondContact O-N 2.78Å; S127-I130 PolarHBondContact O-N 3.36Å; S127-V131 WeakPolarHBondContact O-CB 3.35Å; S127-V131 VanDerWaalsContact O-CG2 3.25Å; S127-V131 WeakPolarHBondContact O-CG2 3.35Å; S127-V131 PolarHBondContact O-N 3.07Å |
| 128 | V | 91.1 | Very high | 90.7 | Very high | 25 Ų | 25 | 32.4 Ų | 32.4 | 15% | 0.152 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.2 | -43.4 | 174.5 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | A93 L103 V107 H124 Q125 V131 A132 | A93-V128 HydrophobicContact CB-CG1 4.29Å; L103-V128 HydrophobicContact CD1-CG1 3.99Å; V107-V128 HydrophobicContact CG1-CG2 3.99Å; H124-V128 WeakPolarHBondContact O-CG2 3.21Å; H124-V128 PolarHBondContact O-N 3.4Å; Q125-V128 PolarHBondContact O-N 2.97Å; V128-V131 PolarHBondContact O-N 2.77Å; V128-A132 WeakPolarHBondContact O-CB 3.35Å; V128-A132 PolarHBondContact O-N 3.29Å |
| 129 | Y | 92.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.7 | -47.1 | 178.2 | -164.3 | -90.2 | 0 | 0 | 0 | 112.3 | A67 V70 E71 A90 Q91 I94 Q125 V126 S127 V131 A132 V133 | A67-Y129 HydrophobicContact CB-CD2 4.48Å; A67-Y129 HydrophobicContact CB-CG 4.35Å; V70-Y129 HydrophobicContact CB-CD1 3.76Å; V70-Y129 HydrophobicContact CB-CE1 4.02Å; V70-Y129 HydrophobicContact CG1-CD1 3.62Å; V70-Y129 HydrophobicContact CG1-CE1 3.91Å; E71-Y129 HydrophobicContact CB-CE1 4.29Å; E71-Y129 VanDerWaalsContact CB-OH 3.32Å; E71-Y129 WeakPolarHBondContact CB-OH 3.48Å; E71-Y129 WeakPolarHBondContact CG-OH 3.28Å; E71-Y129 PolarHBondContact OE2-OH 3.28Å; A90-Y129 HydrophobicContact CB-CD1 4.16Å; A90-Y129 HydrophobicContact CB-CD2 3.71Å; A90-Y129 HydrophobicContact CB-CE1 3.93Å; A90-Y129 HydrophobicContact CB-CE2 3.53Å; A90-Y129 HydrophobicContact CB-CG 4.09Å; Q91-Y129 HydrophobicContact CG-CE2 4.04Å; I94-Y129 HydrophobicContact CD1-CD2 3.28Å; I94-Y129 HydrophobicContact CD1-CE2 4.07Å; I94-Y129 HydrophobicContact CD1-CG 4.03Å; I94-Y129 HydrophobicContact CG1-CD2 3.86Å; Q125-Y129 PolarHBondContact O-N 3.36Å; V126-Y129 PolarHBondContact O-N 2.9Å; S127-Y129 VanDerWaalsContact C-N 3.29Å; S127-Y129 PolarHBondContact O-N 2.78Å; Y129-V131 PolarHBondContact O-N 3.25Å; Y129-A132 PolarHBondContact O-N 3.19Å; Y129-V133 HydrophobicContact CD1-CG2 4.33Å; Y129-V133 HydrophobicContact CE1-CG2 4.2Å; Y129-V133 WeakPolarHBondContact O-CG2 3.42Å; Y129-V133 PolarHBondContact O-N 3.1Å; Y129-V133 VanDerWaalsContact O-N 3.08Å |
| 130 | I | 92.3 | Very high | 91 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.7 | -49.6 | 175.6 | -67.5 | 169.2 | 0 | 0 | 0 | 110.1 | L56 V70 L114 V126 S127 A132 V133 L134 | L56-I130 HydrophobicContact CD1-CG2 3.58Å; V70-I130 HydrophobicContact CG1-CG1 3.86Å; V70-I130 HydrophobicContact CG2-CD1 4.18Å; V70-I130 HydrophobicContact CG2-CG1 3.87Å; L114-I130 HydrophobicContact CD1-CB 4.5Å; L114-I130 HydrophobicContact CD1-CD1 4.31Å; L114-I130 HydrophobicContact CD1-CG2 4.44Å; L114-I130 HydrophobicContact CD2-CG2 4.4Å; V126-I130 HydrophobicContact CG1-CD1 4.22Å; V126-I130 WeakPolarHBondContact O-CG1 3.29Å; V126-I130 PolarHBondContact O-N 2.87Å; S127-I130 PolarHBondContact O-N 3.36Å; I130-A132 VanDerWaalsContact C-N 3.29Å; I130-A132 PolarHBondContact O-N 3.28Å; I130-V133 PolarHBondContact O-N 2.93Å; I130-L134 HydrophobicContact CG2-CD1 4.42Å; I130-L134 HydrophobicContact CG2-CG 4.46Å; I130-L134 WeakPolarHBondContact O-CG 3.42Å; I130-L134 PolarHBondContact O-N 3.26Å |
| 131 | V | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.4 | -34.4 | -179 | 177.9 | 0 | 0 | 0 | 0 | 111.8 | L103 L105 V107 I110 S127 V128 Y129 L134 E135 | L103-V131 HydrophobicContact CD1-CB 4.33Å; L103-V131 HydrophobicContact CD1-CG1 4.14Å; L105-V131 HydrophobicContact CB-CG1 3.7Å; L105-V131 HydrophobicContact CD1-CG1 4.32Å; V107-V131 HydrophobicContact CG2-CB 4.25Å; V107-V131 HydrophobicContact CG2-CG1 3.88Å; I110-V131 HydrophobicContact CB-CG2 4.07Å; I110-V131 HydrophobicContact CD1-CG1 4.23Å; I110-V131 HydrophobicContact CD1-CG2 3.92Å; I110-V131 HydrophobicContact CG2-CG2 3.78Å; S127-V131 WeakPolarHBondContact O-CB 3.35Å; S127-V131 VanDerWaalsContact O-CG2 3.25Å; S127-V131 WeakPolarHBondContact O-CG2 3.35Å; S127-V131 PolarHBondContact O-N 3.07Å; V128-V131 PolarHBondContact O-N 2.77Å; Y129-V131 PolarHBondContact O-N 3.25Å; V131-L134 PolarHBondContact O-N 3.48Å; V131-E135 WeakPolarHBondContact O-CB 3.47Å; V131-E135 PolarHBondContact O-N 3.33Å |
| 132 | A | 91.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A90 A93 L103 V128 Y129 I130 E135 Y136 | A90-A132 HydrophobicContact CB-CB 4.03Å; A93-A132 HydrophobicContact CB-CB 3.6Å; L103-A132 HydrophobicContact CD1-CB 4.35Å; L103-A132 HydrophobicContact CD2-CB 3.97Å; V128-A132 WeakPolarHBondContact O-CB 3.35Å; V128-A132 PolarHBondContact O-N 3.29Å; Y129-A132 PolarHBondContact O-N 3.19Å; I130-A132 VanDerWaalsContact C-N 3.29Å; I130-A132 PolarHBondContact O-N 3.28Å; A132-E135 PolarHBondContact O-N 3.33Å; A132-Y136 WeakPolarHBondContact O-CB 3.42Å; A132-Y136 PolarHBondContact O-N 3.41Å |
| 133 | V | 93.2 | Very high | 91 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.3 | -42.9 | 172.7 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | L59 V74 F78 A90 Y129 I130 E135 Y136 I137 | L59-V133 HydrophobicContact CD1-CB 4.5Å; L59-V133 HydrophobicContact CD1-CG1 4.02Å; V74-V133 HydrophobicContact CG2-CG1 4.18Å; V74-V133 HydrophobicContact CG2-CG2 4.14Å; F78-V133 HydrophobicContact CE1-CG1 3.83Å; F78-V133 HydrophobicContact CZ-CG1 3.59Å; A90-V133 HydrophobicContact CB-CG2 3.67Å; Y129-V133 HydrophobicContact CD1-CG2 4.33Å; Y129-V133 HydrophobicContact CE1-CG2 4.2Å; Y129-V133 WeakPolarHBondContact O-CG2 3.42Å; Y129-V133 PolarHBondContact O-N 3.1Å; Y129-V133 VanDerWaalsContact O-N 3.08Å; I130-V133 PolarHBondContact O-N 2.93Å; V133-E135 PolarHBondContact O-N 3.25Å; V133-Y136 PolarHBondContact O-N 2.68Å; V133-I137 WeakPolarHBondContact O-CG1 3.5Å; V133-I137 PolarHBondContact O-N 2.9Å; V133-I137 VanDerWaalsContact O-N 3.08Å |
| 134 | L | 93.1 | Very high | 90.8 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 176.9 | -62.2 | -177.7 | 0 | 0 | 0 | 112.2 | I52 L55 L56 L59 L105 I130 V131 S138 | I52-L134 HydrophobicContact CG2-CB 3.98Å; I52-L134 HydrophobicContact CG2-CD1 4.22Å; I52-L134 HydrophobicContact CG2-CD2 4.05Å; I52-L134 HydrophobicContact CG2-CG 4.29Å; L55-L134 HydrophobicContact CB-CD2 4.22Å; L55-L134 HydrophobicContact CD2-CD2 3.84Å; L55-L134 HydrophobicContact CG-CD2 3.89Å; L56-L134 HydrophobicContact CB-CD1 4.24Å; L56-L134 HydrophobicContact CB-CD2 4.11Å; L56-L134 HydrophobicContact CD1-CD1 4.05Å; L56-L134 HydrophobicContact CD2-CD1 4.46Å; L56-L134 HydrophobicContact CG-CD1 4.47Å; L59-L134 HydrophobicContact CD1-CD2 4.32Å; L105-L134 HydrophobicContact CD1-CB 3.9Å; I130-L134 HydrophobicContact CG2-CD1 4.42Å; I130-L134 HydrophobicContact CG2-CG 4.46Å; I130-L134 WeakPolarHBondContact O-CG 3.42Å; I130-L134 PolarHBondContact O-N 3.26Å; V131-L134 PolarHBondContact O-N 3.48Å; L134-S138 WeakPolarHBondContact O-CB 3.14Å; L134-S138 PolarHBondContact O-N 3.27Å; L134-S138 PolarHBondContact O-OG 3.11Å |
| 135 | E | 91.4 | Very high | 90.6 | Very high | 9 Ų | 9 | 15.9 Ų | 15.9 | 4% | 0.042 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.2 | -42.6 | 177.7 | -177.7 | 170.5 | 135.8 | 0 | 0 | 111.4 | R99 L103 S104 L105 V131 A132 V133 I137 S138 A139 | R99-E135 IonicContact CZ-OE1 3.71Å; R99-E135 IonicContact NE-OE1 2.92Å; R99-E135 IonicContact NH2-OE1 3.22Å; R99-E135 PolarHBondContact NH2-OE1 2.95Å; L103-E135 VanDerWaalsContact C-OE2 3.25Å; L103-E135 WeakPolarHBondContact CA-OE2 3.06Å; L103-E135 WeakPolarHBondContact CB-OE2 3.24Å; L103-E135 HydrophobicContact CD2-CB 4.29Å; L103-E135 VanDerWaalsContact CD2-OE2 3.24Å; L103-E135 WeakPolarHBondContact CD2-OE2 3.34Å; S104-E135 PolarHBondContact N-OE2 3.29Å; L105-E135 HydrophobicContact CD1-CB 4.01Å; L105-E135 HydrophobicContact CG-CB 4.26Å; V131-E135 WeakPolarHBondContact O-CB 3.47Å; V131-E135 PolarHBondContact O-N 3.33Å; A132-E135 PolarHBondContact O-N 3.33Å; V133-E135 PolarHBondContact O-N 3.25Å; E135-I137 PolarHBondContact O-N 3.48Å; E135-S138 WeakPolarHBondContact O-CB 3.43Å; E135-S138 PolarHBondContact O-N 3.35Å; E135-A139 WeakPolarHBondContact O-CB 3.17Å; E135-A139 PolarHBondContact O-N 3.29Å |
| 136 | Y | 90.5 | Very high | 90.2 | Very high | 39 Ų | 39 | 10.7 Ų | 10.7 | 15% | 0.153 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -58.2 | -49.6 | 176.4 | -179.5 | -92 | 0 | 0 | 0 | 111.4 | I82 W85 A86 D89 A132 V133 S138 A139 D140 | I82-Y136 HydrophobicContact CG1-CE1 4.06Å; W85-Y136 HydrophobicContact CB-CE1 4.42Å; W85-Y136 HydrophobicContact CB-CE2 4.31Å; W85-Y136 WeakPolarHBondContact CB-OH 3.46Å; A86-Y136 HydrophobicContact CB-CD1 3.66Å; A86-Y136 HydrophobicContact CB-CE1 3.95Å; A86-Y136 HydrophobicContact CB-CG 4.35Å; D89-Y136 HydrophobicContact CB-CD2 3.69Å; D89-Y136 HydrophobicContact CB-CE2 4.36Å; D89-Y136 HydrophobicContact CB-CG 4.34Å; A132-Y136 WeakPolarHBondContact O-CB 3.42Å; A132-Y136 PolarHBondContact O-N 3.41Å; V133-Y136 PolarHBondContact O-N 2.68Å; Y136-S138 PolarHBondContact O-N 2.73Å; Y136-A139 PolarHBondContact O-N 3.44Å; Y136-D140 WeakPolarHBondContact O-CB 3.29Å; Y136-D140 PolarHBondContact O-N 3.13Å |
| 137 | I | 92.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -67.3 | -35.8 | 177.6 | -62.9 | -57.6 | 0 | 0 | 0 | 112.1 | I52 L55 F78 I82 V133 E135 A139 D140 I141 M175 F176 | I52-I137 HydrophobicContact CD1-CB 4.41Å; I52-I137 HydrophobicContact CD1-CG2 4.07Å; L55-I137 HydrophobicContact CD2-CB 3.75Å; L55-I137 HydrophobicContact CD2-CG1 3.69Å; L55-I137 HydrophobicContact CD2-CG2 3.84Å; F78-I137 HydrophobicContact CD1-CD1 4.21Å; F78-I137 HydrophobicContact CE1-CD1 3.72Å; F78-I137 HydrophobicContact CE1-CG1 3.72Å; F78-I137 HydrophobicContact CZ-CG1 4.36Å; I82-I137 HydrophobicContact CD1-CD1 3.49Å; I82-I137 VanDerWaalsContact CD1-CD1 3.49Å; I82-I137 HydrophobicContact CG1-CD1 4.04Å; V133-I137 WeakPolarHBondContact O-CG1 3.5Å; V133-I137 PolarHBondContact O-N 2.9Å; V133-I137 VanDerWaalsContact O-N 3.08Å; E135-I137 PolarHBondContact O-N 3.48Å; I137-A139 VanDerWaalsContact C-N 3.34Å; I137-A139 PolarHBondContact O-N 3.5Å; I137-D140 PolarHBondContact O-N 2.68Å; I137-I141 HydrophobicContact CG2-CD1 3.92Å; I137-I141 HydrophobicContact CG2-CG1 4.29Å; I137-I141 WeakPolarHBondContact O-CG1 3.33Å; I137-I141 PolarHBondContact O-N 3.14Å; I137-M175 HydrophobicContact CD1-CE 4.13Å; I137-M175 HydrophobicContact CD1-SD 4.41Å; I137-M175 HydrophobicContact CG1-CE 4.33Å; I137-M175 HydrophobicContact CG2-CE 3.67Å; I137-F176 HydrophobicContact CG2-CE2 4.38Å; I137-F176 HydrophobicContact CG2-CZ 4.05Å |
| 138 | S | 91.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.2 | -47.2 | 174 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | L27 I52 L134 E135 Y136 L142 | L27-S138 WeakPolarHBondContact CD2-OG 3.25Å; I52-S138 VanDerWaalsContact CD1-OG 3.23Å; I52-S138 WeakPolarHBondContact CD1-OG 3.49Å; I52-S138 WeakPolarHBondContact CG1-OG 3.43Å; L134-S138 WeakPolarHBondContact O-CB 3.14Å; L134-S138 PolarHBondContact O-N 3.27Å; L134-S138 PolarHBondContact O-OG 3.11Å; E135-S138 WeakPolarHBondContact O-CB 3.43Å; E135-S138 PolarHBondContact O-N 3.35Å; Y136-S138 PolarHBondContact O-N 2.73Å; S138-L142 WeakPolarHBondContact O-CB 3.3Å; S138-L142 WeakPolarHBondContact O-CD1 3.22Å; S138-L142 VanDerWaalsContact O-CG 3.3Å; S138-L142 WeakPolarHBondContact O-CG 3.32Å; S138-L142 PolarHBondContact O-N 3.49Å; S138-L142 VanDerWaalsContact O-N 3.11Å |
| 139 | A | 89.2 | Confident | 88.2 | Confident | 26 Ų | 26 | 13.2 Ų | 13.2 | 22% | 0.215 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V30 V34 E135 Y136 I137 L142 K143 | V30-A139 HydrophobicContact CG1-CB 3.77Å; V34-A139 HydrophobicContact CG2-CB 4.05Å; E135-A139 WeakPolarHBondContact O-CB 3.17Å; E135-A139 PolarHBondContact O-N 3.29Å; Y136-A139 PolarHBondContact O-N 3.44Å; I137-A139 VanDerWaalsContact C-N 3.34Å; I137-A139 PolarHBondContact O-N 3.5Å; A139-L142 PolarHBondContact O-N 2.95Å; A139-K143 WeakPolarHBondContact O-CB 3.29Å; A139-K143 PolarHBondContact O-N 3.08Å |
| 140 | D | 88.7 | Confident | 87.1 | Confident | 18 Ų | 18 | 19.5 Ų | 19.5 | 10% | 0.096 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.2 | -45.7 | 178.7 | -169.6 | 63.9 | 0 | 0 | 0 | 112.4 | I82 Y136 I137 K143 L144 R552 | I82-D140 WeakPolarHBondContact CD1-OD2 3.37Å; Y136-D140 WeakPolarHBondContact O-CB 3.29Å; Y136-D140 PolarHBondContact O-N 3.13Å; I137-D140 PolarHBondContact O-N 2.68Å; D140-K143 PolarHBondContact O-N 2.84Å; D140-L144 WeakPolarHBondContact O-CB 3.33Å; D140-L144 PolarHBondContact O-N 3.22Å; D140-R552 VanDerWaalsContact CG-NH1 3.27Å; D140-R552 IonicContact OD1-CZ 2.88Å; D140-R552 IonicContact OD1-NH1 3.78Å; D140-R552 PolarHBondContact OD1-NH1 2.84Å; D140-R552 VanDerWaalsContact OD1-NH1 3.14Å; D140-R552 IonicContact OD2-CZ 3.59Å; D140-R552 IonicContact OD2-NH1 2.65Å; D140-R552 PolarHBondContact OD2-NH1 3.21Å; D140-R552 IonicContact OD2-NH2 2.7Å; D140-R552 PolarHBondContact OD2-NH2 3.44Å |
| 141 | I | 90.3 | Very high | 86 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.8 | -52.5 | 174.3 | -66.1 | 167.2 | 0 | 0 | 0 | 109.9 | V48 L51 I52 I137 K143 L144 V145 I162 M166 L172 F176 | V48-I141 HydrophobicContact CG2-CG2 4.36Å; L51-I141 HydrophobicContact CD1-CD1 4.29Å; I52-I141 HydrophobicContact CD1-CD1 4.26Å; I137-I141 HydrophobicContact CG2-CD1 3.92Å; I137-I141 HydrophobicContact CG2-CG1 4.29Å; I137-I141 WeakPolarHBondContact O-CG1 3.33Å; I137-I141 PolarHBondContact O-N 3.14Å; I141-K143 PolarHBondContact O-N 3.4Å; I141-L144 PolarHBondContact O-N 3.39Å; I141-V145 HydrophobicContact CG2-CG2 4.27Å; I141-V145 WeakPolarHBondContact O-CG2 3.41Å; I141-V145 PolarHBondContact O-N 3.08Å; I141-I162 HydrophobicContact CG2-CG2 4.26Å; I141-M166 HydrophobicContact CG1-SD 4.1Å; I141-M166 HydrophobicContact CG2-SD 4.1Å; I141-L172 HydrophobicContact CG1-CD1 4.08Å; I141-L172 HydrophobicContact CG1-CD2 4.22Å; I141-F176 HydrophobicContact CD1-CE2 3.92Å; I141-F176 HydrophobicContact CD1-CZ 4.06Å |
| 142 | L | 89.7 | Confident | 85 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.3 | -29.8 | -177.8 | -69 | 167.6 | 0 | 0 | 0 | 112.3 | V30 Q31 L45 V48 S138 A139 G146 | V30-L142 HydrophobicContact CB-CD1 4.16Å; V30-L142 HydrophobicContact CG1-CD1 3.96Å; Q31-L142 HydrophobicContact CB-CD1 3.94Å; Q31-L142 HydrophobicContact CB-CD2 4.26Å; Q31-L142 HydrophobicContact CG-CD2 4.41Å; L45-L142 HydrophobicContact CD2-CD2 4.17Å; V48-L142 HydrophobicContact CG2-CD2 4.2Å; S138-L142 WeakPolarHBondContact O-CB 3.3Å; S138-L142 WeakPolarHBondContact O-CD1 3.22Å; S138-L142 VanDerWaalsContact O-CG 3.3Å; S138-L142 WeakPolarHBondContact O-CG 3.32Å; S138-L142 PolarHBondContact O-N 3.49Å; S138-L142 VanDerWaalsContact O-N 3.11Å; A139-L142 PolarHBondContact O-N 2.95Å; L142-G146 PolarHBondContact O-N 3.28Å |
| 143 | K | 85.9 | Confident | 83.6 | Confident | 61 Ų | 61 | 31.7 Ų | 31.7 | 27% | 0.265 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -69 | -50.3 | 174.7 | -170.3 | 170.5 | -178.9 | 173.2 | 0 | 112.1 | V34 H35 A139 D140 I141 V145 G146 N147 D555 | V34-K143 VanDerWaalsContact CG1-CA 3.43Å; V34-K143 HydrophobicContact CG1-CB 3.43Å; V34-K143 VanDerWaalsContact CG1-CB 3.43Å; V34-K143 HydrophobicContact CG1-CD 4.28Å; V34-K143 HydrophobicContact CG1-CG 3.72Å; H35-K143 PolarHBondContact NE2-O 3.29Å; A139-K143 WeakPolarHBondContact O-CB 3.29Å; A139-K143 PolarHBondContact O-N 3.08Å; D140-K143 PolarHBondContact O-N 2.84Å; I141-K143 PolarHBondContact O-N 3.4Å; K143-V145 VanDerWaalsContact C-N 3.33Å; K143-V145 PolarHBondContact O-N 3.32Å; K143-G146 PolarHBondContact O-N 3.48Å; K143-N147 WeakPolarHBondContact O-CB 3.36Å; K143-N147 PolarHBondContact O-N 3.19Å; K143-D555 WeakPolarHBondContact CE-OD2 3.45Å; K143-D555 VanDerWaalsContact NZ-CB 3.32Å; K143-D555 IonicContact NZ-OD2 3.37Å |
| 144 | L | 85.8 | Confident | 82.5 | Confident | 39 Ų | 39 | 35.5 Ų | 35.5 | 20% | 0.204 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57 | -49.3 | 177.3 | 175.1 | 71.3 | 0 | 0 | 0 | 110.7 | D140 I141 N147 Y148 A165 D169 L172 | D140-L144 WeakPolarHBondContact O-CB 3.33Å; D140-L144 PolarHBondContact O-N 3.22Å; I141-L144 PolarHBondContact O-N 3.39Å; L144-N147 PolarHBondContact O-N 3.15Å; L144-Y148 PolarHBondContact O-N 2.88Å; L144-A165 HydrophobicContact CD2-CB 4.4Å; L144-A165 HydrophobicContact CG-CB 4.28Å; L144-D169 HydrophobicContact CD2-CB 3.54Å; L144-L172 HydrophobicContact CD2-CD1 3.62Å |
| 145 | V | 86.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.2 | -44.2 | -178.8 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | I141 K143 N147 Y148 V149 I157 D161 I162 A165 | I141-V145 HydrophobicContact CG2-CG2 4.27Å; I141-V145 WeakPolarHBondContact O-CG2 3.41Å; I141-V145 PolarHBondContact O-N 3.08Å; K143-V145 VanDerWaalsContact C-N 3.33Å; K143-V145 PolarHBondContact O-N 3.32Å; V145-N147 VanDerWaalsContact C-N 3.3Å; V145-N147 PolarHBondContact O-N 3.11Å; V145-Y148 WeakPolarHBondContact O-CB 3.34Å; V145-Y148 PolarHBondContact O-N 2.72Å; V145-Y148 VanDerWaalsContact O-N 3.13Å; V145-V149 HydrophobicContact CG1-CG2 4.1Å; V145-V149 WeakPolarHBondContact O-CB 3.48Å; V145-V149 VanDerWaalsContact O-CG2 3.31Å; V145-V149 WeakPolarHBondContact O-CG2 3.42Å; V145-V149 PolarHBondContact O-N 3.21Å; V145-I157 HydrophobicContact CG1-CG2 3.53Å; V145-D161 HydrophobicContact CG1-CB 4.14Å; V145-I162 HydrophobicContact CB-CG1 4.39Å; V145-I162 HydrophobicContact CG1-CB 4.5Å; V145-I162 HydrophobicContact CG1-CG1 3.81Å; V145-I162 HydrophobicContact CG2-CB 4.12Å; V145-I162 HydrophobicContact CG2-CG1 3.93Å; V145-I162 HydrophobicContact CG2-CG2 4.11Å; V145-A165 HydrophobicContact CB-CB 4.34Å; V145-A165 HydrophobicContact CG2-CB 3.78Å |
| 146 | G | 82.4 | Confident | 81 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.3 | -35.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H35 L38 L142 K143 R150 | H35-G146 VanDerWaalsContact CD2-CA 3.48Å; H35-G146 WeakPolarHBondContact CD2-CA 3.46Å; L38-G146 VanDerWaalsContact CD1-CA 3.46Å; L38-G146 WeakPolarHBondContact CD1-O 3.47Å; L142-G146 PolarHBondContact O-N 3.28Å; K143-G146 PolarHBondContact O-N 3.48Å; G146-R150 WeakPolarHBondContact O-CB 3.42Å; G146-R150 PolarHBondContact O-N 3.3Å |
| 147 | N | 78.5 | Confident | 80.8 | Confident | 30 Ų | 30 | 44.8 Ų | 44.8 | 16% | 0.16 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.9 | -45.3 | 171.3 | -72.6 | -13 | 0 | 0 | 0 | 111.1 | H35 K143 L144 V145 N151 | H35-N147 PolarHBondContact CE1-OD1 2.72Å; H35-N147 PolarHBondContact NE2-N 2.99Å; H35-N147 PolarHBondContact NE2-OD1 3.17Å; K143-N147 WeakPolarHBondContact O-CB 3.36Å; K143-N147 PolarHBondContact O-N 3.19Å; L144-N147 PolarHBondContact O-N 3.15Å; V145-N147 VanDerWaalsContact C-N 3.3Å; V145-N147 PolarHBondContact O-N 3.11Å; N147-N151 WeakPolarHBondContact O-CB 3.28Å; N147-N151 PolarHBondContact O-N 2.97Å; N147-N151 PolarHBondContact O-ND2 3.45Å; N147-N151 PolarHBondContact O-OD1 3.49Å |
| 148 | Y | 77.4 | Confident | 80.6 | Confident | 51 Ų | 51 | 46.5 Ų | 46.5 | 20% | 0.2 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.7 | -50.9 | 175.9 | 175.8 | -97.5 | 0 | 0 | 0 | 112.2 | L144 V145 R150 N151 I152 D161 V164 A165 | L144-Y148 PolarHBondContact O-N 2.88Å; V145-Y148 WeakPolarHBondContact O-CB 3.34Å; V145-Y148 PolarHBondContact O-N 2.72Å; V145-Y148 VanDerWaalsContact O-N 3.13Å; Y148-R150 PolarHBondContact O-N 2.61Å; Y148-N151 WeakPolarHBondContact O-CB 3.47Å; Y148-N151 PolarHBondContact O-N 3.24Å; Y148-N151 VanDerWaalsContact O-N 3.12Å; Y148-I152 HydrophobicContact CD1-CD1 4.39Å; Y148-I152 HydrophobicContact CE1-CD1 3.85Å; Y148-I152 HydrophobicContact CE1-CG2 4.4Å; Y148-I152 HydrophobicContact CE2-CG2 4.29Å; Y148-I152 PolarHBondContact O-N 2.71Å; Y148-D161 HydrophobicContact CD1-CB 4.45Å; Y148-V164 HydrophobicContact CE1-CB 4.38Å; Y148-V164 HydrophobicContact CE1-CG1 4.09Å; Y148-V164 HydrophobicContact CE2-CG1 4.02Å; Y148-V164 WeakPolarHBondContact OH-CG1 3.33Å; Y148-A165 HydrophobicContact CG-CB 4.29Å |
| 149 | V | 77 | Confident | 80.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.6 | -44.3 | 179.7 | 164.6 | 0 | 0 | 0 | 0 | 111.3 | L38 V145 N151 I152 R153 H154 E156 I157 D161 | L38-V149 HydrophobicContact CD1-CB 4.41Å; L38-V149 HydrophobicContact CD1-CG1 4.11Å; L38-V149 HydrophobicContact CD2-CG1 4.14Å; V145-V149 HydrophobicContact CG1-CG2 4.1Å; V145-V149 WeakPolarHBondContact O-CB 3.48Å; V145-V149 VanDerWaalsContact O-CG2 3.31Å; V145-V149 WeakPolarHBondContact O-CG2 3.42Å; V145-V149 PolarHBondContact O-N 3.21Å; V149-N151 VanDerWaalsContact C-N 3.33Å; V149-N151 PolarHBondContact O-N 2.86Å; V149-I152 WeakPolarHBondContact O-CG1 3.5Å; V149-I152 PolarHBondContact O-N 3.43Å; V149-R153 PolarHBondContact O-N 2.62Å; V149-R153 VanDerWaalsContact O-N 3.14Å; V149-H154 CarbonylContact C-O 3.57Å; V149-H154 HydrophobicContact CG1-CB 4.08Å; V149-H154 WeakPolarHBondContact CG1-O 3.28Å; V149-H154 PolarHBondContact O-N 3.3Å; V149-E156 WeakPolarHBondContact CG1-O 2.99Å; V149-I157 HydrophobicContact CB-CG1 4.45Å; V149-I157 HydrophobicContact CG1-CG1 4.27Å; V149-I157 HydrophobicContact CG2-CG1 4.21Å; V149-D161 HydrophobicContact CG2-CB 3.63Å |
| 150 | R | 69.4 | Low | 80.2 | Confident | 134 Ų | 134 | 50.4 Ų | 50.4 | 51% | 0.506 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.6 | -40.2 | 174.7 | -174.9 | -179.9 | 178.8 | -172 | 0.4 | 112.1 | G146 Y148 R153 | G146-R150 WeakPolarHBondContact O-CB 3.42Å; G146-R150 PolarHBondContact O-N 3.3Å; Y148-R150 PolarHBondContact O-N 2.61Å; R150-R153 PolarHBondContact O-N 3.12Å; R150-R153 VanDerWaalsContact O-N 3.12Å |
| 151 | N | 69.8 | Low | 80 | Confident | 72 Ų | 72 | 50.5 Ų | 50.5 | 39% | 0.385 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -68.6 | -37.1 | 180 | -68.8 | -10.8 | 0 | 0 | 0 | 112.4 | N147 Y148 V149 R153 | N147-N151 WeakPolarHBondContact O-CB 3.28Å; N147-N151 PolarHBondContact O-N 2.97Å; N147-N151 PolarHBondContact O-ND2 3.45Å; N147-N151 PolarHBondContact O-OD1 3.49Å; Y148-N151 WeakPolarHBondContact O-CB 3.47Å; Y148-N151 PolarHBondContact O-N 3.24Å; Y148-N151 VanDerWaalsContact O-N 3.12Å; V149-N151 VanDerWaalsContact C-N 3.33Å; V149-N151 PolarHBondContact O-N 2.86Å; N151-R153 PolarHBondContact O-N 2.9Å |
| 152 | I | 69.7 | Low | 79.8 | Confident | 77 Ų | 77 | 50.5 Ų | 50.5 | 40% | 0.395 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 2.9 | 173.4 | 66.5 | 168.6 | 0 | 0 | 0 | 113.2 | Y148 V149 H154 | Y148-I152 HydrophobicContact CD1-CD1 4.39Å; Y148-I152 HydrophobicContact CE1-CD1 3.85Å; Y148-I152 HydrophobicContact CE1-CG2 4.4Å; Y148-I152 HydrophobicContact CE2-CG2 4.29Å; Y148-I152 PolarHBondContact O-N 2.71Å; V149-I152 WeakPolarHBondContact O-CG1 3.5Å; V149-I152 PolarHBondContact O-N 3.43Å; I152-H154 HydrophobicContact CD1-CB 3.94Å; I152-H154 HydrophobicContact CG1-CB 3.9Å; I152-H154 PolarHBondContact O-N 3.02Å |
| 153 | R | 62.8 | Low | 79.5 | Confident | 107 Ų | 107 | 53 Ų | 53 | 40% | 0.404 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 31.3 | -179 | -53.4 | -179.7 | -179.2 | -161 | -0.8 | 113.7 | V149 R150 N151 | V149-R153 PolarHBondContact O-N 2.62Å; V149-R153 VanDerWaalsContact O-N 3.14Å; R150-R153 PolarHBondContact O-N 3.12Å; R150-R153 VanDerWaalsContact O-N 3.12Å; N151-R153 PolarHBondContact O-N 2.9Å |
| 154 | H | 69.7 | Low | 79.1 | Confident | 80 Ų | 80 | 51.1 Ų | 51.1 | 37% | 0.37 | 23% | 0.229 | S | C | . | . | trans | -89.5 | 140.6 | 167.3 | -160.2 | -101.9 | 0 | 0 | 0 | 107.7 | V149 I152 E156 | V149-H154 CarbonylContact C-O 3.57Å; V149-H154 HydrophobicContact CG1-CB 4.08Å; V149-H154 WeakPolarHBondContact CG1-O 3.28Å; V149-H154 PolarHBondContact O-N 3.3Å; I152-H154 HydrophobicContact CD1-CB 3.94Å; I152-H154 HydrophobicContact CG1-CB 3.9Å; I152-H154 PolarHBondContact O-N 3.02Å; H154-E156 PolarHBondContact CE1-O 2.95Å; H154-E156 PolarHBondContact ND1-O 2.86Å | ||
| 155 | Y | 71.9 | Confident | 78.9 | Confident | 160 Ų | 160 | 49.4 Ų | 49.4 | 63% | 0.627 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -103.9 | 0.8 | -174.5 | -65.3 | -80.2 | 0 | 0 | 0 | 113.2 | E39 | E39-Y155 PolarHBondContact N-O 3.3Š|
| 156 | E | 82.2 | Confident | 78.6 | Confident | 84 Ų | 84 | 49.4 Ų | 49.4 | 39% | 0.393 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 138.9 | 179.4 | -172.8 | 175.9 | -175.2 | 0 | 0 | 110 | E39 V149 H154 | E39-E156 CarbonylContact O-C 3.39Å; E39-E156 WeakPolarHBondContact O-CA 3.24Å; V149-E156 WeakPolarHBondContact CG1-O 2.99Å; H154-E156 PolarHBondContact CE1-O 2.95Å; H154-E156 PolarHBondContact ND1-O 2.86Å |
| 157 | I | 85.5 | Confident | 78.1 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 119.8 | 174.3 | -59.6 | 178.8 | 0 | 0 | 0 | 109 | Q31 L38 E39 N41 A44 V145 V149 I162 | Q31-I157 HydrophobicContact CG-CD1 4.16Å; L38-I157 HydrophobicContact CB-CD1 4.47Å; L38-I157 HydrophobicContact CB-CG1 4.43Å; L38-I157 HydrophobicContact CD1-CD1 4.16Å; L38-I157 HydrophobicContact CD1-CG1 4.24Å; E39-I157 PolarHBondContact O-N 2.86Å; N41-I157 PolarHBondContact N-O 2.92Å; N41-I157 VanDerWaalsContact N-O 3.15Å; A44-I157 HydrophobicContact CB-CG2 4.38Å; A44-I157 WeakPolarHBondContact CB-O 3.47Å; V145-I157 HydrophobicContact CG1-CG2 3.53Å; V149-I157 HydrophobicContact CB-CG1 4.45Å; V149-I157 HydrophobicContact CG1-CG1 4.27Å; V149-I157 HydrophobicContact CG2-CG1 4.21Å; I157-I162 HydrophobicContact CG2-CD1 4.34Å; I157-I162 HydrophobicContact CG2-CG1 4.03Å |
| 158 | T | 87.9 | Confident | 77.6 | Confident | 35 Ų | 35 | 52.7 Ų | 52.7 | 22% | 0.215 | 25% | 0.25 | C | S | . | . | trans | -105.1 | 162.3 | 174.6 | 73.6 | 0 | 0 | 0 | 0 | 112 | Q160 D161 I162 | T158-Q160 PolarHBondContact O-N 2.92Å; T158-Q160 PolarHBondContact OG1-N 3.14Å; T158-D161 WeakPolarHBondContact CB-OD2 3.4Å; T158-D161 PolarHBondContact N-OD2 3.45Å; T158-D161 PolarHBondContact O-N 2.91Å; T158-D161 PolarHBondContact OG1-N 2.83Å; T158-D161 PolarHBondContact OG1-OD1 3.12Å; T158-D161 PolarHBondContact OG1-OD2 3.22Å; T158-I162 WeakPolarHBondContact O-CG1 3.11Å; T158-I162 PolarHBondContact O-N 3.4Å; T158-I162 VanDerWaalsContact O-N 3.16Å | ||
| 159 | K | 89.3 | Confident | 77.4 | Confident | 53 Ų | 53 | 50.3 Ų | 50.3 | 23% | 0.23 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.2 | -34.5 | 172.9 | 178.8 | 171.5 | -171.7 | 164.8 | 0 | 112.6 | D43 Y47 I162 K163 | D43-K159 WeakPolarHBondContact OD1-CD 3.41Å; D43-K159 IonicContact OD1-NZ 3.78Å; D43-K159 PolarHBondContact OD1-NZ 3.48Å; D43-K159 VanDerWaalsContact OD2-CD 3.25Å; D43-K159 WeakPolarHBondContact OD2-CD 3.34Å; Y47-K159 HydrophobicContact CD1-CG 4.36Å; Y47-K159 HydrophobicContact CD2-CG 4.45Å; Y47-K159 HydrophobicContact CG-CD 4.37Å; Y47-K159 HydrophobicContact CG-CG 3.98Å; K159-I162 PolarHBondContact O-N 3.26Å; K159-K163 WeakPolarHBondContact O-CG 3.03Å; K159-K163 PolarHBondContact O-N 3.49Å; K159-K163 VanDerWaalsContact O-N 3.14Å |
| 160 | Q | 83.3 | Confident | 77 | Confident | 56 Ų | 56 | 52.4 Ų | 52.4 | 26% | 0.262 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -69.8 | -41.4 | 179.6 | -171.6 | 60.3 | 16.7 | 0 | 0 | 111.2 | T158 I162 K163 V164 | T158-Q160 PolarHBondContact O-N 2.92Å; T158-Q160 PolarHBondContact OG1-N 3.14Å; Q160-I162 VanDerWaalsContact C-N 3.26Å; Q160-I162 PolarHBondContact O-N 2.93Å; Q160-K163 PolarHBondContact O-N 2.76Å; Q160-K163 VanDerWaalsContact O-N 3.15Å; Q160-V164 WeakPolarHBondContact O-CG2 3.36Å; Q160-V164 PolarHBondContact O-N 2.68Å |
| 161 | D | 84.4 | Confident | 77.2 | Confident | 20 Ų | 20 | 46.8 Ų | 46.8 | 11% | 0.107 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.3 | -39.4 | 176.4 | -53.4 | -39.4 | 0 | 0 | 0 | 111.1 | V145 Y148 V149 T158 V164 A165 | V145-D161 HydrophobicContact CG1-CB 4.14Å; Y148-D161 HydrophobicContact CD1-CB 4.45Å; V149-D161 HydrophobicContact CG2-CB 3.63Å; T158-D161 WeakPolarHBondContact CB-OD2 3.4Å; T158-D161 PolarHBondContact N-OD2 3.45Å; T158-D161 PolarHBondContact O-N 2.91Å; T158-D161 PolarHBondContact OG1-N 2.83Å; T158-D161 PolarHBondContact OG1-OD1 3.12Å; T158-D161 PolarHBondContact OG1-OD2 3.22Å; D161-V164 PolarHBondContact O-N 3.27Å; D161-A165 WeakPolarHBondContact O-CB 3.5Å; D161-A165 PolarHBondContact O-N 3.34Å |
| 162 | I | 86.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59 | -50.6 | 174 | -59.9 | 165.6 | 0 | 0 | 0 | 110.5 | A44 Y47 V48 I141 V145 I157 T158 K159 Q160 V164 A165 M166 | A44-I162 HydrophobicContact CB-CD1 3.66Å; A44-I162 WeakPolarHBondContact O-CD1 3.4Å; Y47-I162 HydrophobicContact CD1-CB 4.21Å; Y47-I162 HydrophobicContact CD1-CG2 3.79Å; Y47-I162 HydrophobicContact CE1-CG2 3.92Å; V48-I162 HydrophobicContact CG2-CD1 3.62Å; I141-I162 HydrophobicContact CG2-CG2 4.26Å; V145-I162 HydrophobicContact CB-CG1 4.39Å; V145-I162 HydrophobicContact CG1-CB 4.5Å; V145-I162 HydrophobicContact CG1-CG1 3.81Å; V145-I162 HydrophobicContact CG2-CB 4.12Å; V145-I162 HydrophobicContact CG2-CG1 3.93Å; V145-I162 HydrophobicContact CG2-CG2 4.11Å; I157-I162 HydrophobicContact CG2-CD1 4.34Å; I157-I162 HydrophobicContact CG2-CG1 4.03Å; T158-I162 WeakPolarHBondContact O-CG1 3.11Å; T158-I162 PolarHBondContact O-N 3.4Å; T158-I162 VanDerWaalsContact O-N 3.16Å; K159-I162 PolarHBondContact O-N 3.26Å; Q160-I162 VanDerWaalsContact C-N 3.26Å; Q160-I162 PolarHBondContact O-N 2.93Å; I162-V164 VanDerWaalsContact C-N 3.3Å; I162-V164 PolarHBondContact O-N 2.95Å; I162-A165 PolarHBondContact O-N 3.31Å; I162-M166 HydrophobicContact CG2-CG 3.9Å; I162-M166 VanDerWaalsContact O-CB 3.24Å; I162-M166 WeakPolarHBondContact O-CB 3.33Å; I162-M166 WeakPolarHBondContact O-CG 3.1Å; I162-M166 PolarHBondContact O-N 3.09Å |
| 163 | K | 83.6 | Confident | 78 | Confident | 54 Ų | 54 | 40.6 Ų | 40.6 | 24% | 0.235 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.7 | -42.1 | 179.2 | -71.8 | 178.4 | 177.4 | -175.6 | 0 | 112.2 | Y47 K159 Q160 C167 | Y47-K163 HydrophobicContact CE1-CG 3.82Å; K159-K163 WeakPolarHBondContact O-CG 3.03Å; K159-K163 PolarHBondContact O-N 3.49Å; K159-K163 VanDerWaalsContact O-N 3.14Å; Q160-K163 PolarHBondContact O-N 2.76Å; Q160-K163 VanDerWaalsContact O-N 3.15Å; K163-C167 WeakPolarHBondContact O-CB 3.44Å; K163-C167 PolarHBondContact O-N 3.21Å; K163-C167 PolarHBondContact O-SG 2.92Å |
| 164 | V | 77.8 | Confident | 78.5 | Confident | 20 Ų | 20 | 38.7 Ų | 38.7 | 12% | 0.121 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.4 | -49.4 | -179.9 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | Y148 Q160 D161 I162 M166 C167 A168 N442 | Y148-V164 HydrophobicContact CE1-CB 4.38Å; Y148-V164 HydrophobicContact CE1-CG1 4.09Å; Y148-V164 HydrophobicContact CE2-CG1 4.02Å; Y148-V164 WeakPolarHBondContact OH-CG1 3.33Å; Q160-V164 WeakPolarHBondContact O-CG2 3.36Å; Q160-V164 PolarHBondContact O-N 2.68Å; D161-V164 PolarHBondContact O-N 3.27Å; I162-V164 VanDerWaalsContact C-N 3.3Å; I162-V164 PolarHBondContact O-N 2.95Å; V164-M166 VanDerWaalsContact C-N 3.34Å; V164-M166 PolarHBondContact O-N 2.93Å; V164-C167 WeakPolarHBondContact O-CB 3.46Å; V164-C167 PolarHBondContact O-N 3.49Å; V164-C167 VanDerWaalsContact O-N 3.14Å; V164-A168 PolarHBondContact O-N 3.17Å; V164-A168 VanDerWaalsContact O-N 3.09Å; V164-N442 WeakPolarHBondContact CG1-ND2 3.38Å |
| 165 | A | 81 | Confident | 78.9 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L144 V145 Y148 D161 I162 C167 A168 D169 | L144-A165 HydrophobicContact CD2-CB 4.4Å; L144-A165 HydrophobicContact CG-CB 4.28Å; V145-A165 HydrophobicContact CB-CB 4.34Å; V145-A165 HydrophobicContact CG2-CB 3.78Å; Y148-A165 HydrophobicContact CG-CB 4.29Å; D161-A165 WeakPolarHBondContact O-CB 3.5Å; D161-A165 PolarHBondContact O-N 3.34Å; I162-A165 PolarHBondContact O-N 3.31Å; A165-C167 VanDerWaalsContact C-N 3.33Å; A165-C167 PolarHBondContact O-N 3Å; A165-A168 PolarHBondContact O-N 3.26Å; A165-D169 PolarHBondContact O-N 2.63Å |
| 166 | M | 79.8 | Confident | 79.2 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.3 | -42.6 | 173.5 | -68.9 | -72 | -68.5 | 0 | 0 | 110.8 | L51 I141 I162 V164 A168 D169 L172 M173 F176 | L51-M166 HydrophobicContact CD1-CE 3.97Å; I141-M166 HydrophobicContact CG1-SD 4.1Å; I141-M166 HydrophobicContact CG2-SD 4.1Å; I162-M166 HydrophobicContact CG2-CG 3.9Å; I162-M166 VanDerWaalsContact O-CB 3.24Å; I162-M166 WeakPolarHBondContact O-CB 3.33Å; I162-M166 WeakPolarHBondContact O-CG 3.1Å; I162-M166 PolarHBondContact O-N 3.09Å; V164-M166 VanDerWaalsContact C-N 3.34Å; V164-M166 PolarHBondContact O-N 2.93Å; M166-A168 PolarHBondContact O-N 3.09Å; M166-D169 PolarHBondContact O-N 2.96Å; M166-D169 VanDerWaalsContact O-N 3.09Å; M166-L172 HydrophobicContact CE-CB 3.72Å; M166-L172 HydrophobicContact CE-CD1 4.48Å; M166-L172 HydrophobicContact SD-CB 3.91Å; M166-L172 HydrophobicContact SD-CD1 3.66Å; M166-L172 HydrophobicContact SD-CG 4.35Å; M166-M173 VanDerWaalsContact C-CE 3.49Å; M166-M173 HydrophobicContact CB-CE 3.66Å; M166-M173 WeakPolarHBondContact O-CG 3.47Å; M166-F176 HydrophobicContact CE-CD2 3.46Å; M166-F176 VanDerWaalsContact CE-CD2 3.46Å; M166-F176 HydrophobicContact CE-CE2 3.86Å; M166-F176 HydrophobicContact CE-CG 4.37Å |
| 167 | C | 72.3 | Confident | 78.5 | Confident | 27 Ų | 27 | 26.4 Ų | 26.4 | 18% | 0.182 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.6 | -32.2 | 177.6 | -72.7 | 0 | 0 | 0 | 0 | 112.8 | K163 V164 A165 D169 R497 | K163-C167 WeakPolarHBondContact O-CB 3.44Å; K163-C167 PolarHBondContact O-N 3.21Å; K163-C167 PolarHBondContact O-SG 2.92Å; V164-C167 WeakPolarHBondContact O-CB 3.46Å; V164-C167 PolarHBondContact O-N 3.49Å; V164-C167 VanDerWaalsContact O-N 3.14Å; A165-C167 VanDerWaalsContact C-N 3.33Å; A165-C167 PolarHBondContact O-N 3Å; C167-D169 VanDerWaalsContact C-N 3.32Å; C167-R497 WeakPolarHBondContact O-CD 3.39Å |
| 168 | A | 68.5 | Low | 77 | Confident | 71 Ų | 71 | 31.2 Ų | 31.2 | 59% | 0.587 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -75.2 | -20.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V164 A165 M166 | V164-A168 PolarHBondContact O-N 3.17Å; V164-A168 VanDerWaalsContact O-N 3.09Å; A165-A168 PolarHBondContact O-N 3.26Å; M166-A168 PolarHBondContact O-N 3.09Å |
| 169 | D | 71.7 | Confident | 75.1 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | trans | -97.5 | 108.1 | -175.9 | -169.5 | 86.5 | 0 | 0 | 0 | 112.2 | L144 A165 M166 C167 V171 L172 M173 S548 R552 | L144-D169 HydrophobicContact CD2-CB 3.54Å; A165-D169 PolarHBondContact O-N 2.63Å; M166-D169 PolarHBondContact O-N 2.96Å; M166-D169 VanDerWaalsContact O-N 3.09Å; C167-D169 VanDerWaalsContact C-N 3.32Å; D169-V171 VanDerWaalsContact C-N 3.26Å; D169-V171 PolarHBondContact O-N 2.89Å; D169-V171 WeakPolarHBondContact OD2-CB 2.97Å; D169-V171 PolarHBondContact OD2-N 3.02Å; D169-L172 HydrophobicContact CB-CB 4.44Å; D169-L172 HydrophobicContact CB-CD1 4.41Å; D169-L172 WeakPolarHBondContact OD2-CB 3.42Å; D169-L172 VanDerWaalsContact OD2-CG 3.25Å; D169-L172 WeakPolarHBondContact OD2-CG 3.41Å; D169-L172 PolarHBondContact OD2-N 3.43Å; D169-M173 VanDerWaalsContact O-CB 3.28Å; D169-M173 WeakPolarHBondContact O-CB 3.45Å; D169-M173 WeakPolarHBondContact O-CG 3.3Å; D169-M173 PolarHBondContact O-N 2.78Å; D169-S548 WeakPolarHBondContact OD1-CB 3.42Å; D169-S548 PolarHBondContact OD1-OG 2.76Å; D169-R552 VanDerWaalsContact CG-NH2 3.26Å; D169-R552 IonicContact OD1-CZ 2.84Å; D169-R552 IonicContact OD1-NE 3.64Å; D169-R552 IonicContact OD1-NH2 3.94Å; D169-R552 PolarHBondContact OD1-NH2 2.94Å; D169-R552 IonicContact OD2-NH2 2.69Å; D169-R552 PolarHBondContact OD2-NH2 3.33Å | ||
| 170 | K | 69.5 | Low | 72.8 | Confident | 45 Ų | 45 | 38.3 Ų | 38.3 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.2 | -34.4 | -179.9 | -67.8 | -168.4 | 177.4 | -166.7 | 0 | 112.9 | D174 M496 V499 Q545 | K170-D174 WeakPolarHBondContact O-CB 3.47Å; K170-D174 PolarHBondContact O-N 2.83Å; K170-M496 WeakPolarHBondContact CE-O 3.24Å; K170-M496 PolarHBondContact NZ-O 3.3Å; K170-V499 PolarHBondContact NZ-O 3.11Å; K170-Q545 HydrophobicContact CD-CG 4.34Å |
| 171 | V | 74.2 | Confident | 70.7 | Confident | 16 Ų | 16 | 44.3 Ų | 44.3 | 10% | 0.097 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.6 | -52.7 | -173.8 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | P79 I82 D169 M173 D174 M175 | P79-V171 HydrophobicContact CB-CG1 4.18Å; P79-V171 HydrophobicContact CG-CG1 4.17Å; I82-V171 HydrophobicContact CB-CG1 3.94Å; I82-V171 HydrophobicContact CD1-CG1 4.11Å; I82-V171 HydrophobicContact CG2-CG1 3.37Å; D169-V171 VanDerWaalsContact C-N 3.26Å; D169-V171 PolarHBondContact O-N 2.89Å; D169-V171 WeakPolarHBondContact OD2-CB 2.97Å; D169-V171 PolarHBondContact OD2-N 3.02Å; V171-M173 VanDerWaalsContact C-N 3.33Å; V171-D174 PolarHBondContact O-N 3.2Å; V171-M175 WeakPolarHBondContact O-CB 3.43Å; V171-M175 PolarHBondContact O-N 3.39Å; V171-M175 VanDerWaalsContact O-N 3.09Å |
| 172 | L | 80.2 | Confident | 68.4 | Low | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.3 | -35 | 178.4 | -65 | 170.3 | 0 | 0 | 0 | 111.1 | I82 I141 L144 M166 D169 M175 F176 | I82-L172 HydrophobicContact CD1-CD2 4.25Å; I141-L172 HydrophobicContact CG1-CD1 4.08Å; I141-L172 HydrophobicContact CG1-CD2 4.22Å; L144-L172 HydrophobicContact CD2-CD1 3.62Å; M166-L172 HydrophobicContact CE-CB 3.72Å; M166-L172 HydrophobicContact CE-CD1 4.48Å; M166-L172 HydrophobicContact SD-CB 3.91Å; M166-L172 HydrophobicContact SD-CD1 3.66Å; M166-L172 HydrophobicContact SD-CG 4.35Å; D169-L172 HydrophobicContact CB-CB 4.44Å; D169-L172 HydrophobicContact CB-CD1 4.41Å; D169-L172 WeakPolarHBondContact OD2-CB 3.42Å; D169-L172 VanDerWaalsContact OD2-CG 3.25Å; D169-L172 WeakPolarHBondContact OD2-CG 3.41Å; D169-L172 PolarHBondContact OD2-N 3.43Å; L172-M175 HydrophobicContact CD2-CE 3.7Å; L172-M175 PolarHBondContact O-N 3.11Å; L172-F176 HydrophobicContact CB-CD2 4.4Å; L172-F176 HydrophobicContact CD2-CE2 4.15Å; L172-F176 WeakPolarHBondContact O-CD2 3.43Å; L172-F176 PolarHBondContact O-N 3.42Å |
| 173 | M | 74.7 | Confident | 66.3 | Low | 19 Ų | 19 | 51.8 Ų | 51.8 | 9% | 0.094 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.3 | -44 | 173.8 | -82.3 | -79.2 | 149.3 | 0 | 0 | 113 | M166 D169 V171 M175 F176 H177 | M166-M173 VanDerWaalsContact C-CE 3.49Å; M166-M173 HydrophobicContact CB-CE 3.66Å; M166-M173 WeakPolarHBondContact O-CG 3.47Å; D169-M173 VanDerWaalsContact O-CB 3.28Å; D169-M173 WeakPolarHBondContact O-CB 3.45Å; D169-M173 WeakPolarHBondContact O-CG 3.3Å; D169-M173 PolarHBondContact O-N 2.78Å; V171-M173 VanDerWaalsContact C-N 3.33Å; M173-M175 PolarHBondContact O-N 3.31Å; M173-F176 PolarHBondContact O-N 2.89Å; M173-H177 CarbonylContact O-C 3.52Å; M173-H177 WeakPolarHBondContact O-CA 3.33Å; M173-H177 PolarHBondContact O-N 2.97Å; M173-H177 HydrophobicContact SD-CB 4.22Å |
| 174 | D | 73.9 | Confident | 63.8 | Low | 66 Ų | 66 | 55 Ų | 55 | 35% | 0.353 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.1 | -25.6 | 176.3 | -163.7 | 51.1 | 0 | 0 | 0 | 112 | P79 K170 V171 Q178 K519 | P79-D174 HydrophobicContact CG-CB 4.36Å; K170-D174 WeakPolarHBondContact O-CB 3.47Å; K170-D174 PolarHBondContact O-N 2.83Å; V171-D174 PolarHBondContact O-N 3.2Å; D174-Q178 WeakPolarHBondContact O-CG 3.34Å; D174-Q178 PolarHBondContact O-NE2 3.29Å; D174-Q178 VanDerWaalsContact O-NE2 3.12Å; D174-K519 IonicContact OD1-NZ 2.86Å; D174-K519 PolarHBondContact OD1-NZ 3.31Å |
| 175 | M | 78 | Confident | 61.8 | Low | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -77.3 | -40.1 | 175.3 | -168.2 | 172.8 | 71 | 0 | 0 | 113.6 | L55 M58 F78 I137 V171 L172 M173 | L55-M175 HydrophobicContact CD1-SD 4.23Å; M58-M175 HydrophobicContact CE-CG 3.9Å; F78-M175 HydrophobicContact CD1-SD 3.88Å; F78-M175 HydrophobicContact CD2-SD 4.29Å; F78-M175 HydrophobicContact CE1-SD 3.92Å; F78-M175 HydrophobicContact CE2-SD 4.31Å; F78-M175 HydrophobicContact CG-SD 4.09Å; F78-M175 HydrophobicContact CZ-SD 4.16Å; I137-M175 HydrophobicContact CD1-CE 4.13Å; I137-M175 HydrophobicContact CD1-SD 4.41Å; I137-M175 HydrophobicContact CG1-CE 4.33Å; I137-M175 HydrophobicContact CG2-CE 3.67Å; V171-M175 WeakPolarHBondContact O-CB 3.43Å; V171-M175 PolarHBondContact O-N 3.39Å; V171-M175 VanDerWaalsContact O-N 3.09Å; L172-M175 HydrophobicContact CD2-CE 3.7Å; L172-M175 PolarHBondContact O-N 3.11Å; M173-M175 PolarHBondContact O-N 3.31Å |
| 176 | F | 79.3 | Confident | 59.3 | Low | 6 Ų | 6 | 62.4 Ų | 62.4 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -102.2 | -24.2 | -174 | -70 | -68.7 | 0 | 0 | 0 | 115.1 | L51 Q54 L55 I137 I141 M166 L172 M173 | L51-F176 HydrophobicContact CB-CD1 4.42Å; L51-F176 HydrophobicContact CB-CE1 4.02Å; L51-F176 HydrophobicContact CB-CZ 4.13Å; L51-F176 HydrophobicContact CD2-CB 4.5Å; L51-F176 HydrophobicContact CD2-CD1 4.19Å; L51-F176 HydrophobicContact CD2-CG 4.21Å; L51-F176 WeakPolarHBondContact O-CE1 3.36Å; Q54-F176 PolarHBondContact NE2-O 3.31Å; L55-F176 HydrophobicContact CB-CE1 3.93Å; L55-F176 HydrophobicContact CB-CZ 4.41Å; I137-F176 HydrophobicContact CG2-CE2 4.38Å; I137-F176 HydrophobicContact CG2-CZ 4.05Å; I141-F176 HydrophobicContact CD1-CE2 3.92Å; I141-F176 HydrophobicContact CD1-CZ 4.06Å; M166-F176 HydrophobicContact CE-CD2 3.46Å; M166-F176 VanDerWaalsContact CE-CD2 3.46Å; M166-F176 HydrophobicContact CE-CE2 3.86Å; M166-F176 HydrophobicContact CE-CG 4.37Å; L172-F176 HydrophobicContact CB-CD2 4.4Å; L172-F176 HydrophobicContact CD2-CE2 4.15Å; L172-F176 WeakPolarHBondContact O-CD2 3.43Å; L172-F176 PolarHBondContact O-N 3.42Å; M173-F176 PolarHBondContact O-N 2.89Å |
| 177 | H | 66.4 | Low | 56.9 | Low | 54 Ų | 54 | 67 Ų | 67 | 25% | 0.25 | 37% | 0.365 | C | S | . | . | trans | -134.7 | 69.4 | -169.9 | -64.4 | -70.2 | 0 | 0 | 0 | 111.5 | M173 | M173-H177 CarbonylContact O-C 3.52Å; M173-H177 WeakPolarHBondContact O-CA 3.33Å; M173-H177 PolarHBondContact O-N 2.97Å; M173-H177 HydrophobicContact SD-CB 4.22Å | ||
| 178 | Q | 54.9 | Low | 55 | Low | 102 Ų | 102 | 70.8 Ų | 70.8 | 48% | 0.477 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -71.6 | -31.7 | 178.7 | -67.4 | -177.7 | -2.9 | 0 | 0 | 113.1 | D174 | D174-Q178 WeakPolarHBondContact O-CG 3.34Å; D174-Q178 PolarHBondContact O-NE2 3.29Å; D174-Q178 VanDerWaalsContact O-NE2 3.12Å |
| 179 | D | 46.5 | Very low | 53.1 | Low | 148 Ų | 148 | 73.3 Ų | 73.3 | 79% | 0.791 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -136.7 | 22.4 | -165 | -70.6 | -40.7 | 0 | 0 | 0 | 117.4 | ||
| 180 | V | 41.1 | Very low | 51 | Low | 90 Ų | 90 | 81 Ų | 81 | 55% | 0.545 | 43% | 0.433 | S | S | . | . | trans | -112 | 105.8 | -171.7 | -165.7 | 0 | 0 | 0 | 0 | 113.3 | D182 | V180-D182 HydrophobicContact CG1-CB 4.26Å; V180-D182 PolarHBondContact O-N 3.28Å | ||
| 181 | E | 40.1 | Very low | 49.2 | Very low | 181 Ų | 181 | 87.6 Ų | 87.6 | 85% | 0.846 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -69.7 | -10.6 | 169.3 | -70.1 | -166.3 | 144.5 | 0 | 0 | 113.5 | ||
| 182 | D | 36.7 | Very low | 47.1 | Very low | 125 Ų | 125 | 95 Ų | 95 | 67% | 0.668 | 50% | 0.498 | S | S | * | . | trans | -111 | 65.5 | -172.3 | -73.3 | -37.4 | 0 | 0 | 0 | 114.5 | V180 N184 | V180-D182 HydrophobicContact CG1-CB 4.26Å; V180-D182 PolarHBondContact O-N 3.28Å; D182-N184 PolarHBondContact O-N 3.34Å | ||
| 183 | I | 41.3 | Very low | 44.9 | Very low | 53 Ų | 53 | 99.6 Ų | 99.6 | 27% | 0.272 | 53% | 0.528 | S | S | . | . | trans | -82.8 | 91.6 | 159.8 | -63.4 | 177.3 | 0 | 0 | 0 | 108.4 | I185 K435 | I183-I185 HydrophobicContact CG2-CD1 3.6Å; I183-I185 HydrophobicContact CG2-CG1 3.67Å; I183-I185 PolarHBondContact O-N 2.96Å; I183-K435 PolarHBondContact O-NZ 2.97Å | ||
| 184 | N | 31.8 | Very low | 42.8 | Very low | 120 Ų | 120 | 104.4 Ų | 104.4 | 64% | 0.642 | 56% | 0.563 | S | S | * | * | trans | -75 | 95.9 | 166.5 | -93.7 | -8.3 | 0 | 0 | 0 | 109.8 | D182 K435 | D182-N184 PolarHBondContact O-N 3.34Å; N184-K435 PolarHBondContact OD1-NZ 2.92Å | ||
| 185 | I | 36.4 | Very low | 41.3 | Very low | 28 Ų | 28 | 107.4 Ų | 107.4 | 14% | 0.144 | 58% | 0.584 | C | S | . | * | trans | -100.9 | 103.6 | 163 | -69.7 | 165.2 | 0 | 0 | 0 | 106.7 | I183 | I183-I185 HydrophobicContact CG2-CD1 3.6Å; I183-I185 HydrophobicContact CG2-CG1 3.67Å; I183-I185 PolarHBondContact O-N 2.96Å | ||
| 186 | L | 27.9 | Very low | 39.8 | Very low | 151 Ų | 151 | 112 Ų | 112 | 79% | 0.791 | 62% | 0.617 | S | S | * | * | trans | -83.3 | 130.9 | 175.1 | -84.4 | 158.2 | 0 | 0 | 0 | 110.3 | ||||
| 187 | S | 28.7 | Very low | 38.7 | Very low | 97 Ų | 97 | 115.8 Ų | 115.8 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | trans | 18.6 | 107.8 | 158.8 | -156.6 | 0 | 0 | 0 | 0 | 118 | T189 | S187-T189 PolarHBondContact O-N 2.98Š| ||
| 188 | L | 33 | Very low | 38.5 | Very low | 107 Ų | 107 | 121 Ų | 121 | 56% | 0.56 | 68% | 0.683 | S | S | * | * | trans | -62.9 | 115.8 | 156.4 | -80.7 | 160.6 | 0 | 0 | 0 | 108.3 | ||||
| 189 | T | 29.1 | Very low | 39.4 | Very low | 125 Ų | 125 | 120.6 Ų | 120.6 | 77% | 0.767 | 68% | 0.68 | S | S | * | * | trans | -74.3 | 136.9 | 169.1 | 42.6 | 0 | 0 | 0 | 0 | 110.4 | S187 E191 | S187-T189 PolarHBondContact O-N 2.98Å; T189-E191 PolarHBondContact O-N 3.13Å | ||
| 190 | D | 28.3 | Very low | 41.4 | Very low | 161 Ų | 161 | 117 Ų | 117 | 86% | 0.861 | 66% | 0.664 | S | S | * | * | trans | -57.1 | 106.6 | 174.5 | -72.2 | -48.9 | 0 | 0 | 0 | 111.6 | ||||
| 191 | E | 31 | Very low | 44 | Very low | 184 Ų | 184 | 113.1 Ų | 113.1 | 86% | 0.86 | 64% | 0.64 | S | S | * | * | trans | -115.9 | 114.4 | 148.3 | -78.2 | -150.5 | 148.6 | 0 | 0 | 107.8 | T189 P193 | T189-E191 PolarHBondContact O-N 3.13Å; E191-P193 VanDerWaalsContact O-CD 3.28Å; E191-P193 WeakPolarHBondContact O-CD 3.23Å | ||
| 192 | E | 30 | Very low | 46.4 | Very low | 171 Ų | 171 | 109.7 Ų | 109.7 | 80% | 0.799 | 62% | 0.62 | S | S | * | * | trans | -67.8 | 120.1 | 173.4 | -73.6 | -166.9 | 141.9 | 0 | 0 | 110.3 | ||||
| 193 | P | 34.7 | Very low | 48.9 | Very low | 98 Ų | 98 | 107.1 Ų | 107.1 | 64% | 0.636 | 61% | 0.606 | S | S | * | * | trans | -85.8 | 106.5 | 153.2 | 13.4 | 6.2 | 0 | 0 | 0 | 106.7 | E191 T195 | E191-P193 VanDerWaalsContact O-CD 3.28Å; E191-P193 WeakPolarHBondContact O-CD 3.23Å; P193-T195 PolarHBondContact O-N 2.49Å | ||
| 194 | S | 29.3 | Very low | 51.3 | Low | 119 Ų | 119 | 104.9 Ų | 104.9 | 83% | 0.832 | 60% | 0.595 | S | S | * | * | trans | -56.4 | 103.8 | 169.8 | 45.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 195 | T | 43.3 | Very low | 54.2 | Low | 129 Ų | 129 | 99.5 Ų | 99.5 | 79% | 0.791 | 57% | 0.566 | S | S | * | * | trans | -100.6 | 115.4 | 172.3 | 54.1 | 0 | 0 | 0 | 0 | 110.7 | P193 | P193-T195 PolarHBondContact O-N 2.49Š| ||
| 196 | S | 46.7 | Very low | 56.7 | Low | 102 Ų | 102 | 103.7 Ų | 103.7 | 71% | 0.713 | 58% | 0.583 | S | S | * | * | trans | -64.9 | 142.1 | -177.5 | 42.4 | 0 | 0 | 0 | 0 | 113.8 | E198 | S196-E198 VanDerWaalsContact C-N 3.28Å; S196-E198 PolarHBondContact O-N 3.46Å | ||
| 197 | G | 55.8 | Low | 59.5 | Low | 87 Ų | 87 | 97.1 Ų | 97.1 | 90% | 0.897 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -81.5 | 7.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 198 | E | 61.8 | Low | 62.5 | Low | 164 Ų | 164 | 92.7 Ų | 92.7 | 77% | 0.766 | 52% | 0.519 | S | S | * | . | trans | -125.5 | 106.2 | -178.7 | -69 | 176.7 | -172.3 | 0 | 0 | 108.9 | S196 | S196-E198 VanDerWaalsContact C-N 3.28Å; S196-E198 PolarHBondContact O-N 3.46Å | ||
| 199 | Q | 73.8 | Confident | 65.2 | Low | 92 Ų | 92 | 88.4 Ų | 88.4 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | trans | -85.5 | 124.1 | 171.6 | -68.5 | 178.3 | -10.7 | 0 | 0 | 108.9 | L204 K363 | Q199-L204 HydrophobicContact CB-CD2 4.17Å; Q199-L204 HydrophobicContact CB-CG 4.31Å; Q199-K363 WeakPolarHBondContact O-CE 3.5Å; Q199-K363 PolarHBondContact O-NZ 3Å | ||
| 200 | T | 89.7 | Confident | 67.9 | Low | 72 Ų | 72 | 84.1 Ų | 84.1 | 44% | 0.442 | 47% | 0.473 | S | S | . | . | trans | -76 | 166.3 | 172.5 | 67.9 | 0 | 0 | 0 | 0 | 110.7 | Y202 D203 L204 | T200-Y202 PolarHBondContact O-N 3.13Å; T200-D203 WeakPolarHBondContact CB-OD2 3.42Å; T200-D203 WeakPolarHBondContact CG2-OD2 3.46Å; T200-D203 PolarHBondContact N-OD2 2.88Å; T200-D203 PolarHBondContact O-N 3.41Å; T200-D203 PolarHBondContact OG1-N 2.9Å; T200-D203 VanDerWaalsContact OG1-N 3.16Å; T200-D203 PolarHBondContact OG1-OD2 2.93Å; T200-L204 WeakPolarHBondContact O-CG 3.35Å; T200-L204 PolarHBondContact O-N 3.31Å; T200-L204 VanDerWaalsContact O-N 3.13Å | ||
| 201 | Y | 94.1 | Very high | 70.7 | Confident | 9 Ų | 9 | 79.3 Ų | 79.3 | 4% | 0.035 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -53.7 | -44.5 | 172.6 | -175.3 | -74.3 | 0 | 0 | 0 | 111.2 | D203 L204 V205 H276 P277 V279 L360 K363 D369 L373 | Y201-D203 PolarHBondContact O-N 3.33Å; Y201-L204 WeakPolarHBondContact O-CB 3.33Å; Y201-L204 PolarHBondContact O-N 2.5Å; Y201-V205 HydrophobicContact CD1-CG2 3.95Å; Y201-V205 HydrophobicContact CE1-CG2 3.7Å; Y201-V205 WeakPolarHBondContact O-CG2 3.49Å; Y201-V205 PolarHBondContact O-N 2.95Å; Y201-V205 VanDerWaalsContact O-N 3.13Å; Y201-H276 HydrophobicContact CD1-CB 3.8Å; Y201-H276 AromaticContact CD1-CG 3.55Å; Y201-H276 AromaticContact CD1-ND1 3.4Å; Y201-H276 WeakPolarHBondContact CD1-ND1 3.06Å; Y201-H276 HydrophobicContact CE1-CB 4.33Å; Y201-H276 AromaticContact CE1-CE1 3.88Å; Y201-H276 AromaticContact CE1-CG 3.92Å; Y201-H276 AromaticContact CE1-ND1 3.27Å; Y201-H276 VanDerWaalsContact CE1-ND1 3.27Å; Y201-H276 WeakPolarHBondContact CE1-ND1 3.32Å; Y201-H276 AromaticContact CE2-CE1 3.88Å; Y201-H276 HydrophobicContact CG-CB 4.45Å; Y201-H276 AromaticContact CG-CG 3.95Å; Y201-H276 AromaticContact CG-ND1 3.91Å; Y201-H276 AromaticContact CZ-CE1 3.76Å; Y201-H276 AromaticContact CZ-ND1 3.62Å; Y201-P277 VanDerWaalsContact CE1-O 3.28Å; Y201-P277 WeakPolarHBondContact CE1-O 3.33Å; Y201-V279 HydrophobicContact CE1-CG2 4.08Å; Y201-V279 VanDerWaalsContact OH-CG2 3.23Å; Y201-V279 WeakPolarHBondContact OH-CG2 3.36Å; Y201-L360 HydrophobicContact CD1-CD2 4.31Å; Y201-L360 HydrophobicContact CD2-CB 4.48Å; Y201-L360 HydrophobicContact CD2-CD2 3.91Å; Y201-L360 HydrophobicContact CE1-CD2 4.15Å; Y201-L360 HydrophobicContact CE2-CB 3.96Å; Y201-L360 HydrophobicContact CE2-CD2 3.79Å; Y201-L360 HydrophobicContact CE2-CG 4.45Å; Y201-L360 WeakPolarHBondContact CE2-O 3.34Å; Y201-L360 HydrophobicContact CG-CD2 4.2Å; Y201-K363 HydrophobicContact CD2-CB 4.27Å; Y201-D369 PolarHBondContact OH-OD1 3.44Å; Y201-D369 PolarHBondContact OH-OD2 3.17Å; Y201-L373 HydrophobicContact CE2-CD1 4.35Å |
| 202 | Y | 91.3 | Very high | 73.6 | Confident | 110 Ų | 110 | 70.6 Ų | 70.6 | 43% | 0.431 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.6 | -38 | -179.1 | -173.1 | -109.8 | 0 | 0 | 0 | 112.8 | T200 L204 V205 K206 P277 | T200-Y202 PolarHBondContact O-N 3.13Å; Y202-L204 VanDerWaalsContact C-N 3.32Å; Y202-L204 PolarHBondContact O-N 3.35Å; Y202-V205 PolarHBondContact O-N 2.93Å; Y202-K206 WeakPolarHBondContact O-CB 3.17Å; Y202-K206 PolarHBondContact O-N 3.23Å; Y202-P277 HydrophobicContact CD2-CG 3.96Å; Y202-P277 HydrophobicContact CE2-CG 3.91Å |
| 203 | D | 88.9 | Confident | 76.4 | Confident | 70 Ų | 70 | 66.7 Ų | 66.7 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 176 | -64.5 | -45.4 | 0 | 0 | 0 | 111.9 | T200 Y201 K206 A207 | T200-D203 WeakPolarHBondContact CB-OD2 3.42Å; T200-D203 WeakPolarHBondContact CG2-OD2 3.46Å; T200-D203 PolarHBondContact N-OD2 2.88Å; T200-D203 PolarHBondContact O-N 3.41Å; T200-D203 PolarHBondContact OG1-N 2.9Å; T200-D203 VanDerWaalsContact OG1-N 3.16Å; T200-D203 PolarHBondContact OG1-OD2 2.93Å; Y201-D203 PolarHBondContact O-N 3.33Å; D203-K206 PolarHBondContact O-N 3Å; D203-A207 VanDerWaalsContact O-CB 3.26Å; D203-A207 WeakPolarHBondContact O-CB 3.5Å; D203-A207 PolarHBondContact O-N 3.32Å |
| 204 | L | 91.2 | Very high | 78.9 | Confident | 7 Ų | 7 | 64.1 Ų | 64.1 | 4% | 0.037 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.7 | -48.3 | 174.8 | -70.1 | 174.7 | 0 | 0 | 0 | 111.3 | Q199 T200 Y201 Y202 K206 A207 F208 L356 Q359 L360 K363 | Q199-L204 HydrophobicContact CB-CD2 4.17Å; Q199-L204 HydrophobicContact CB-CG 4.31Å; T200-L204 WeakPolarHBondContact O-CG 3.35Å; T200-L204 PolarHBondContact O-N 3.31Å; T200-L204 VanDerWaalsContact O-N 3.13Å; Y201-L204 WeakPolarHBondContact O-CB 3.33Å; Y201-L204 PolarHBondContact O-N 2.5Å; Y202-L204 VanDerWaalsContact C-N 3.32Å; Y202-L204 PolarHBondContact O-N 3.35Å; L204-K206 VanDerWaalsContact C-N 3.35Å; L204-K206 PolarHBondContact O-N 2.9Å; L204-A207 PolarHBondContact O-N 3.43Å; L204-F208 VanDerWaalsContact O-CB 3.27Å; L204-F208 WeakPolarHBondContact O-CB 3.44Å; L204-F208 PolarHBondContact O-N 3.3Å; L204-L356 HydrophobicContact CB-CD1 4.31Å; L204-Q359 HydrophobicContact CD1-CB 3.86Å; L204-L360 HydrophobicContact CB-CD2 4.19Å; L204-L360 HydrophobicContact CD1-CD2 4.37Å; L204-K363 HydrophobicContact CD1-CD 3.61Å |
| 205 | V | 93.4 | Very high | 81.9 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 177.1 | 175 | 0 | 0 | 0 | 0 | 110.6 | Y201 Y202 A207 F208 M209 I263 V267 V279 L360 | Y201-V205 HydrophobicContact CD1-CG2 3.95Å; Y201-V205 HydrophobicContact CE1-CG2 3.7Å; Y201-V205 WeakPolarHBondContact O-CG2 3.49Å; Y201-V205 PolarHBondContact O-N 2.95Å; Y201-V205 VanDerWaalsContact O-N 3.13Å; Y202-V205 PolarHBondContact O-N 2.93Å; V205-A207 PolarHBondContact O-N 2.89Å; V205-F208 PolarHBondContact O-N 2.96Å; V205-M209 HydrophobicContact CG1-CG 4.38Å; V205-M209 HydrophobicContact CG1-SD 4.06Å; V205-M209 WeakPolarHBondContact O-CB 3.26Å; V205-M209 VanDerWaalsContact O-CG 3.23Å; V205-M209 WeakPolarHBondContact O-CG 3.5Å; V205-M209 PolarHBondContact O-N 3.39Å; V205-I263 HydrophobicContact CG1-CG2 4.09Å; V205-V267 HydrophobicContact CG1-CG2 4.26Å; V205-V279 HydrophobicContact CG1-CG1 4.23Å; V205-V279 HydrophobicContact CG2-CG1 4.39Å; V205-V279 HydrophobicContact CG2-CG2 3.95Å; V205-L360 HydrophobicContact CG2-CD2 4.09Å |
| 206 | K | 88.9 | Confident | 84.3 | Confident | 116 Ų | 116 | 53.6 Ų | 53.6 | 50% | 0.504 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 179.4 | -172.6 | 178.6 | 179.2 | -178.1 | 0 | 112.4 | Y202 D203 L204 A210 | Y202-K206 WeakPolarHBondContact O-CB 3.17Å; Y202-K206 PolarHBondContact O-N 3.23Å; D203-K206 PolarHBondContact O-N 3Å; L204-K206 VanDerWaalsContact C-N 3.35Å; L204-K206 PolarHBondContact O-N 2.9Å; K206-A210 PolarHBondContact O-N 3.24Å |
| 207 | A | 86.3 | Confident | 86.3 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 11% | 0.107 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | D203 L204 V205 M209 A210 E211 M412 | D203-A207 VanDerWaalsContact O-CB 3.26Å; D203-A207 WeakPolarHBondContact O-CB 3.5Å; D203-A207 PolarHBondContact O-N 3.32Å; L204-A207 PolarHBondContact O-N 3.43Å; V205-A207 PolarHBondContact O-N 2.89Å; A207-M209 PolarHBondContact O-N 3.36Å; A207-A210 WeakPolarHBondContact O-CB 3.18Å; A207-A210 PolarHBondContact O-N 2.88Å; A207-E211 WeakPolarHBondContact O-CG 3.37Å; A207-E211 PolarHBondContact O-N 3.34Å; A207-M412 HydrophobicContact CB-CE 3.76Å |
| 208 | F | 91.8 | Very high | 88 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 2% | 0.022 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.5 | -43 | 178.8 | 177.7 | -107.4 | 0 | 0 | 0 | 112.4 | L204 V205 A210 E211 I212 L259 I263 F283 Y353 L356 | L204-F208 VanDerWaalsContact O-CB 3.27Å; L204-F208 WeakPolarHBondContact O-CB 3.44Å; L204-F208 PolarHBondContact O-N 3.3Å; V205-F208 PolarHBondContact O-N 2.96Å; F208-A210 PolarHBondContact O-N 3.4Å; F208-E211 PolarHBondContact O-N 3.1Å; F208-E211 VanDerWaalsContact O-N 3.16Å; F208-I212 HydrophobicContact CE1-CB 4.38Å; F208-I212 HydrophobicContact CE1-CD1 4.22Å; F208-I212 HydrophobicContact CE1-CG2 4.46Å; F208-I212 HydrophobicContact CE2-CB 4.4Å; F208-I212 HydrophobicContact CZ-CB 3.97Å; F208-I212 HydrophobicContact CZ-CD1 3.89Å; F208-I212 HydrophobicContact CZ-CG1 4.31Å; F208-I212 WeakPolarHBondContact O-CG2 3.38Å; F208-I212 PolarHBondContact O-N 3.04Å; F208-L259 HydrophobicContact CE1-CD2 4.43Å; F208-L259 HydrophobicContact CZ-CD2 4.32Å; F208-I263 HydrophobicContact CD1-CD1 4.02Å; F208-I263 HydrophobicContact CE1-CD1 3.67Å; F208-F283 HydrophobicContact CE1-CZ 4.3Å; F208-Y353 HydrophobicContact CE1-CE1 4.16Å; F208-Y353 HydrophobicContact CE2-CD1 4.06Å; F208-Y353 AromaticContact CE2-CE1 3.56Å; F208-Y353 HydrophobicContact CE2-CE1 3.56Å; F208-Y353 HydrophobicContact CZ-CD1 4.03Å; F208-Y353 AromaticContact CZ-CE1 3.19Å; F208-Y353 HydrophobicContact CZ-CE1 3.19Å; F208-Y353 AromaticContact CZ-CZ 3.91Å; F208-L356 HydrophobicContact CB-CD1 4.46Å; F208-L356 HydrophobicContact CB-CD2 3.82Å; F208-L356 HydrophobicContact CD1-CD2 3.93Å; F208-L356 HydrophobicContact CD2-CD2 3.33Å; F208-L356 HydrophobicContact CE1-CD2 4.48Å; F208-L356 HydrophobicContact CE2-CD2 3.95Å; F208-L356 HydrophobicContact CG-CD2 3.36Å |
| 209 | M | 90.7 | Very high | 89.6 | Confident | 17 Ų | 17 | 41.8 Ų | 41.8 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.6 | -32.2 | 174 | -70.7 | 173.3 | 85.9 | 0 | 0 | 112.6 | V205 A207 R213 I263 E264 V267 | V205-M209 HydrophobicContact CG1-CG 4.38Å; V205-M209 HydrophobicContact CG1-SD 4.06Å; V205-M209 WeakPolarHBondContact O-CB 3.26Å; V205-M209 VanDerWaalsContact O-CG 3.23Å; V205-M209 WeakPolarHBondContact O-CG 3.5Å; V205-M209 PolarHBondContact O-N 3.39Å; A207-M209 PolarHBondContact O-N 3.36Å; M209-R213 VanDerWaalsContact C-NH1 3.35Å; M209-R213 VanDerWaalsContact O-CG 3.23Å; M209-R213 WeakPolarHBondContact O-CG 3.18Å; M209-R213 PolarHBondContact O-N 3.43Å; M209-R213 PolarHBondContact O-NH1 3.18Å; M209-I263 HydrophobicContact CE-CG2 4.19Å; M209-I263 HydrophobicContact CG-CG2 3.64Å; M209-I263 HydrophobicContact SD-CG2 3.86Å; M209-E264 HydrophobicContact CE-CB 4.21Å; M209-E264 HydrophobicContact CE-CG 3.32Å; M209-V267 HydrophobicContact CE-CG2 4.38Å; M209-V267 HydrophobicContact SD-CG2 4.04Å |
| 210 | A | 84.2 | Confident | 90.6 | Very high | 34 Ų | 34 | 38 Ų | 38 | 28% | 0.281 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -72.8 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | K206 A207 F208 R213 Q214 | K206-A210 PolarHBondContact O-N 3.24Å; A207-A210 WeakPolarHBondContact O-CB 3.18Å; A207-A210 PolarHBondContact O-N 2.88Å; F208-A210 PolarHBondContact O-N 3.4Å; A210-R213 PolarHBondContact O-N 3.03Å; A210-Q214 PolarHBondContact O-N 3.36Å |
| 211 | E | 88.3 | Confident | 90.8 | Very high | 61 Ų | 61 | 35.1 Ų | 35.1 | 29% | 0.285 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65 | -47.3 | 178.7 | -70.7 | 171.5 | -171.9 | 0 | 0 | 112.2 | A207 F208 R213 Q214 Y215 H352 | A207-E211 WeakPolarHBondContact O-CG 3.37Å; A207-E211 PolarHBondContact O-N 3.34Å; F208-E211 PolarHBondContact O-N 3.1Å; F208-E211 VanDerWaalsContact O-N 3.16Å; E211-R213 VanDerWaalsContact C-N 3.29Å; E211-R213 PolarHBondContact O-N 3.32Å; E211-Q214 PolarHBondContact O-N 3.07Å; E211-Q214 VanDerWaalsContact O-N 3.16Å; E211-Y215 WeakPolarHBondContact O-CB 3.37Å; E211-Y215 PolarHBondContact O-N 3.44Å; E211-H352 IonicContact OE2-CD2 3.38Å; E211-H352 IonicContact OE2-NE2 2.81Å; E211-H352 PolarHBondContact OE2-NE2 2.98Å |
| 212 | I | 92 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.2 | -32.5 | 178.1 | -163.8 | 177.4 | 0 | 0 | 0 | 112.2 | F208 Y215 I216 S256 L259 L260 | F208-I212 HydrophobicContact CE1-CB 4.38Å; F208-I212 HydrophobicContact CE1-CD1 4.22Å; F208-I212 HydrophobicContact CE1-CG2 4.46Å; F208-I212 HydrophobicContact CE2-CB 4.4Å; F208-I212 HydrophobicContact CZ-CB 3.97Å; F208-I212 HydrophobicContact CZ-CD1 3.89Å; F208-I212 HydrophobicContact CZ-CG1 4.31Å; F208-I212 WeakPolarHBondContact O-CG2 3.38Å; F208-I212 PolarHBondContact O-N 3.04Å; I212-Y215 PolarHBondContact O-N 2.81Å; I212-I216 HydrophobicContact CG1-CD1 4.17Å; I212-I216 HydrophobicContact CG1-CG1 4.47Å; I212-I216 WeakPolarHBondContact O-CB 3.15Å; I212-I216 VanDerWaalsContact O-CG1 3.24Å; I212-I216 WeakPolarHBondContact O-CG1 3.49Å; I212-I216 PolarHBondContact O-N 2.99Å; I212-S256 WeakPolarHBondContact CD1-O 3.27Å; I212-L259 HydrophobicContact CD1-CB 4.38Å; I212-L259 HydrophobicContact CD1-CD2 4.03Å; I212-L259 HydrophobicContact CD1-CG 4.25Å; I212-L260 HydrophobicContact CD1-CB 4.14Å; I212-L260 HydrophobicContact CG2-CB 4.2Å; I212-L260 HydrophobicContact CG2-CD1 3.68Å; I212-L260 HydrophobicContact CG2-CD2 4.4Å; I212-L260 HydrophobicContact CG2-CG 4.29Å |
| 213 | R | 88.5 | Confident | 91 | Very high | 89 Ų | 89 | 30.4 Ų | 30.4 | 34% | 0.336 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 173.8 | -77 | -179.7 | -161.5 | 112.2 | -12 | 111.6 | M209 A210 E211 I216 R217 L260 E264 | M209-R213 VanDerWaalsContact C-NH1 3.35Å; M209-R213 VanDerWaalsContact O-CG 3.23Å; M209-R213 WeakPolarHBondContact O-CG 3.18Å; M209-R213 PolarHBondContact O-N 3.43Å; M209-R213 PolarHBondContact O-NH1 3.18Å; A210-R213 PolarHBondContact O-N 3.03Å; E211-R213 VanDerWaalsContact C-N 3.29Å; E211-R213 PolarHBondContact O-N 3.32Å; R213-I216 PolarHBondContact O-N 3.08Å; R213-R217 PolarHBondContact O-N 3.44Å; R213-L260 HydrophobicContact CG-CD1 4.23Å; R213-L260 HydrophobicContact CG-CD2 3.53Å; R213-E264 IonicContact CZ-OE1 3.56Å; R213-E264 VanDerWaalsContact CZ-OE1 3.25Å; R213-E264 IonicContact NE-OE1 2.7Å; R213-E264 PolarHBondContact NE-OE1 3.03Å; R213-E264 IonicContact NH2-OE1 2.8Å; R213-E264 PolarHBondContact NH2-OE1 3.24Å |
| 214 | Q | 86 | Confident | 91.3 | Very high | 44 Ų | 44 | 29 Ų | 29 | 21% | 0.206 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.2 | -43.3 | 175 | 179.2 | 53.5 | 34.4 | 0 | 0 | 111 | A210 E211 I216 R217 E218 | A210-Q214 PolarHBondContact O-N 3.36Å; E211-Q214 PolarHBondContact O-N 3.07Å; E211-Q214 VanDerWaalsContact O-N 3.16Å; Q214-I216 PolarHBondContact O-N 3.1Å; Q214-R217 WeakPolarHBondContact O-CB 3.1Å; Q214-R217 PolarHBondContact O-N 3.3Å; Q214-R217 VanDerWaalsContact O-N 3.13Å; Q214-E218 PolarHBondContact NE2-OE1 3.17Å; Q214-E218 PolarHBondContact O-N 2.62Å |
| 215 | Y | 93.1 | Very high | 91.4 | Very high | 9 Ų | 9 | 28.8 Ų | 28.8 | 4% | 0.035 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 174.7 | 174 | -121.7 | 0 | 0 | 0 | 112.5 | E211 I212 R217 E218 L219 I252 S256 Y295 A345 P346 H349 | E211-Y215 WeakPolarHBondContact O-CB 3.37Å; E211-Y215 PolarHBondContact O-N 3.44Å; I212-Y215 PolarHBondContact O-N 2.81Å; Y215-R217 VanDerWaalsContact C-N 3.27Å; Y215-R217 PolarHBondContact O-N 3.02Å; Y215-E218 CarbonylContact O-C 3.11Å; Y215-E218 WeakPolarHBondContact O-CB 3.36Å; Y215-E218 PolarHBondContact O-N 2.93Å; Y215-E218 VanDerWaalsContact O-N 3.08Å; Y215-L219 HydrophobicContact CD1-CD1 4.13Å; Y215-L219 HydrophobicContact CD2-CG 4.28Å; Y215-L219 HydrophobicContact CE1-CD1 3.65Å; Y215-L219 HydrophobicContact CE1-CG 4.23Å; Y215-L219 HydrophobicContact CE2-CD1 4.23Å; Y215-L219 HydrophobicContact CE2-CD2 3.8Å; Y215-L219 HydrophobicContact CE2-CG 3.92Å; Y215-L219 WeakPolarHBondContact O-CG 3.45Å; Y215-L219 PolarHBondContact O-N 3.3Å; Y215-I252 WeakPolarHBondContact OH-CG2 3.45Å; Y215-S256 WeakPolarHBondContact CE1-OG 3.39Å; Y215-Y295 PolarHBondContact OH-OH 3.33Å; Y215-A345 HydrophobicContact CE2-CB 4.37Å; Y215-P346 HydrophobicContact CE2-CB 4.47Å; Y215-P346 HydrophobicContact CE2-CG 4.19Å; Y215-P346 VanDerWaalsContact OH-CA 3.25Å; Y215-P346 WeakPolarHBondContact OH-CA 3.42Å; Y215-P346 VanDerWaalsContact OH-CB 3.24Å; Y215-P346 WeakPolarHBondContact OH-CB 3.35Å; Y215-P346 WeakPolarHBondContact OH-CG 3.06Å; Y215-H349 HydrophobicContact CD1-CB 4.38Å; Y215-H349 AromaticContact CD1-CD2 3.4Å; Y215-H349 VanDerWaalsContact CD1-CD2 3.4Å; Y215-H349 WeakPolarHBondContact CD1-CD2 3.16Å; Y215-H349 AromaticContact CD1-CE1 3.72Å; Y215-H349 AromaticContact CD1-CG 3.57Å; Y215-H349 AromaticContact CD1-ND1 3.78Å; Y215-H349 AromaticContact CD1-NE2 3.49Å; Y215-H349 WeakPolarHBondContact CD1-NE2 3.44Å; Y215-H349 HydrophobicContact CD2-CB 4.12Å; Y215-H349 HydrophobicContact CE1-CB 4.14Å; Y215-H349 AromaticContact CE1-CD2 3.34Å; Y215-H349 WeakPolarHBondContact CE1-CD2 3.48Å; Y215-H349 AromaticContact CE1-CG 3.65Å; Y215-H349 AromaticContact CE1-NE2 3.88Å; Y215-H349 HydrophobicContact CE2-CB 3.89Å; Y215-H349 HydrophobicContact CG-CB 4.35Å; Y215-H349 AromaticContact CG-CE1 3.92Å; Y215-H349 AromaticContact CG-CG 3.74Å; Y215-H349 AromaticContact CG-ND1 3.66Å; Y215-H349 AromaticContact CZ-CD2 3.98Å; Y215-H349 AromaticContact CZ-CG 3.92Å |
| 216 | I | 93.1 | Very high | 91.5 | Very high | 19 Ų | 19 | 28.5 Ų | 28.5 | 10% | 0.097 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.7 | -37 | 174.3 | -71.9 | 164.1 | 0 | 0 | 0 | 111.1 | I212 R213 Q214 E218 L219 N220 V257 L260 | I212-I216 HydrophobicContact CG1-CD1 4.17Å; I212-I216 HydrophobicContact CG1-CG1 4.47Å; I212-I216 WeakPolarHBondContact O-CB 3.15Å; I212-I216 VanDerWaalsContact O-CG1 3.24Å; I212-I216 WeakPolarHBondContact O-CG1 3.49Å; I212-I216 PolarHBondContact O-N 2.99Å; R213-I216 PolarHBondContact O-N 3.08Å; Q214-I216 PolarHBondContact O-N 3.1Å; I216-E218 VanDerWaalsContact C-N 3.35Å; I216-L219 PolarHBondContact O-N 3.46Å; I216-N220 WeakPolarHBondContact CG2-ND2 3.27Å; I216-N220 PolarHBondContact O-N 3.29Å; I216-N220 PolarHBondContact O-ND2 2.93Å; I216-V257 HydrophobicContact CD1-CG2 4.08Å; I216-V257 HydrophobicContact CG1-CG2 4.32Å; I216-V257 HydrophobicContact CG2-CG2 4.03Å; I216-L260 HydrophobicContact CD1-CB 4.05Å; I216-L260 HydrophobicContact CD1-CD2 3.64Å |
| 217 | R | 90.4 | Very high | 91.8 | Very high | 62 Ų | 62 | 25.9 Ų | 25.9 | 23% | 0.234 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 173.6 | -175.3 | 177 | 177.8 | 85.8 | -1.6 | 111.3 | R213 Q214 Y215 N220 L221 E551 L554 D555 | R213-R217 PolarHBondContact O-N 3.44Å; Q214-R217 WeakPolarHBondContact O-CB 3.1Å; Q214-R217 PolarHBondContact O-N 3.3Å; Q214-R217 VanDerWaalsContact O-N 3.13Å; Y215-R217 VanDerWaalsContact C-N 3.27Å; Y215-R217 PolarHBondContact O-N 3.02Å; R217-N220 PolarHBondContact O-N 3.47Å; R217-L221 PolarHBondContact O-N 2.97Å; R217-E551 IonicContact CZ-OE2 2.77Å; R217-E551 IonicContact NE-OE2 3.29Å; R217-E551 PolarHBondContact NE-OE2 3.34Å; R217-E551 IonicContact NH2-OE2 3.93Å; R217-E551 PolarHBondContact NH2-OE2 3.15Å; R217-L554 HydrophobicContact CG-CD2 4.01Å; R217-D555 IonicContact CZ-OD1 2.63Å; R217-D555 IonicContact NH1-OD1 2.63Å; R217-D555 PolarHBondContact NH1-OD1 3.38Å; R217-D555 IonicContact NH2-OD1 2.84Å; R217-D555 PolarHBondContact NH2-OD1 3.4Å; R217-D555 IonicContact NH2-OD2 3.64Å; R217-D555 PolarHBondContact NH2-OD2 2.88Å |
| 218 | E | 91.2 | Very high | 92.2 | Very high | 41 Ų | 41 | 29.2 Ų | 29.2 | 19% | 0.192 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.6 | -39.8 | 175 | -69.5 | 173.5 | -154.8 | 0 | 0 | 112.4 | Q214 Y215 I216 L221 I222 | Q214-E218 PolarHBondContact NE2-OE1 3.17Å; Q214-E218 PolarHBondContact O-N 2.62Å; Y215-E218 CarbonylContact O-C 3.11Å; Y215-E218 WeakPolarHBondContact O-CB 3.36Å; Y215-E218 PolarHBondContact O-N 2.93Å; Y215-E218 VanDerWaalsContact O-N 3.08Å; I216-E218 VanDerWaalsContact C-N 3.35Å; E218-L221 WeakPolarHBondContact O-CB 3.43Å; E218-L221 PolarHBondContact O-N 2.96Å; E218-I222 WeakPolarHBondContact O-CG1 3.45Å; E218-I222 PolarHBondContact O-N 3.07Å |
| 219 | L | 95.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 173.1 | -67.1 | -177.9 | 0 | 0 | 0 | 111.6 | Y215 I216 L221 I222 I223 I249 I252 H253 P346 | Y215-L219 HydrophobicContact CD1-CD1 4.13Å; Y215-L219 HydrophobicContact CD2-CG 4.28Å; Y215-L219 HydrophobicContact CE1-CD1 3.65Å; Y215-L219 HydrophobicContact CE1-CG 4.23Å; Y215-L219 HydrophobicContact CE2-CD1 4.23Å; Y215-L219 HydrophobicContact CE2-CD2 3.8Å; Y215-L219 HydrophobicContact CE2-CG 3.92Å; Y215-L219 WeakPolarHBondContact O-CG 3.45Å; Y215-L219 PolarHBondContact O-N 3.3Å; I216-L219 PolarHBondContact O-N 3.46Å; L219-L221 VanDerWaalsContact C-N 3.29Å; L219-L221 PolarHBondContact O-N 3.47Å; L219-I222 PolarHBondContact O-N 3.46Å; L219-I223 WeakPolarHBondContact O-CB 3.29Å; L219-I223 VanDerWaalsContact O-CG1 3.26Å; L219-I223 WeakPolarHBondContact O-CG1 3.47Å; L219-I223 PolarHBondContact O-N 2.91Å; L219-I249 HydrophobicContact CD2-CD1 3.58Å; L219-I249 HydrophobicContact CD2-CG1 4.32Å; L219-I252 HydrophobicContact CD1-CG2 4.13Å; L219-I252 HydrophobicContact CD2-CG2 4.4Å; L219-H253 HydrophobicContact CB-CB 4.32Å; L219-H253 HydrophobicContact CD1-CB 3.99Å; L219-P346 HydrophobicContact CD2-CG 4.1Å |
| 220 | N | 94.2 | Very high | 92.5 | Very high | 14 Ų | 14 | 28.8 Ų | 28.8 | 8% | 0.075 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.7 | -37.2 | 174.2 | -81 | -69.7 | 0 | 0 | 0 | 111.6 | I216 R217 I223 K224 H253 L554 | I216-N220 WeakPolarHBondContact CG2-ND2 3.27Å; I216-N220 PolarHBondContact O-N 3.29Å; I216-N220 PolarHBondContact O-ND2 2.93Å; R217-N220 PolarHBondContact O-N 3.47Å; N220-I223 PolarHBondContact O-N 3.3Å; N220-K224 VanDerWaalsContact O-CB 3.28Å; N220-K224 WeakPolarHBondContact O-CB 3.45Å; N220-K224 PolarHBondContact O-N 2.83Å; N220-K224 WeakPolarHBondContact OD1-CE 3.47Å; N220-K224 PolarHBondContact OD1-NZ 2.92Å; N220-H253 PolarHBondContact ND2-NE2 3.38Å; N220-H253 VanDerWaalsContact ND2-NE2 3.17Å; N220-H253 PolarHBondContact OD1-NE2 3.09Å; N220-L554 HydrophobicContact CB-CD1 3.97Å |
| 221 | L | 93 | Very high | 93 | Very high | 10 Ų | 10 | 30 Ų | 30 | 5% | 0.052 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -59.5 | -47.7 | 172.4 | -174.6 | 64.3 | 0 | 0 | 0 | 111.1 | R217 E218 L219 I223 V225 F226 L342 L550 L554 | R217-L221 PolarHBondContact O-N 2.97Å; E218-L221 WeakPolarHBondContact O-CB 3.43Å; E218-L221 PolarHBondContact O-N 2.96Å; L219-L221 VanDerWaalsContact C-N 3.29Å; L219-L221 PolarHBondContact O-N 3.47Å; L221-I223 PolarHBondContact O-N 3.22Å; L221-V225 HydrophobicContact CD1-CB 3.95Å; L221-V225 HydrophobicContact CD1-CG1 4.34Å; L221-V225 HydrophobicContact CD1-CG2 3.81Å; L221-V225 VanDerWaalsContact O-CB 3.28Å; L221-V225 WeakPolarHBondContact O-CB 3.47Å; L221-V225 PolarHBondContact O-N 3.14Å; L221-V225 VanDerWaalsContact O-N 3.13Å; L221-F226 HydrophobicContact CD2-CE2 4.34Å; L221-F226 HydrophobicContact CG-CD2 4.3Å; L221-F226 HydrophobicContact CG-CE2 4.04Å; L221-F226 PolarHBondContact O-N 3.27Å; L221-L342 HydrophobicContact CD2-CD1 4.34Å; L221-L550 HydrophobicContact CD1-CB 4.1Å; L221-L550 WeakPolarHBondContact CD1-O 3.2Å; L221-L554 HydrophobicContact CB-CD2 4.03Å; L221-L554 HydrophobicContact CD1-CB 3.96Å; L221-L554 HydrophobicContact CD1-CD2 4.27Å |
| 222 | I | 96 | Very high | 93.2 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -62.2 | -44.4 | 177.6 | -64.1 | 165.7 | 0 | 0 | 0 | 111 | E218 L219 F226 R227 F246 I249 L339 L342 L343 | E218-I222 WeakPolarHBondContact O-CG1 3.45Å; E218-I222 PolarHBondContact O-N 3.07Å; L219-I222 PolarHBondContact O-N 3.46Å; I222-F226 WeakPolarHBondContact O-CB 3.34Å; I222-F226 PolarHBondContact O-N 3.24Å; I222-R227 WeakPolarHBondContact O-CB 3.44Å; I222-R227 PolarHBondContact O-N 3.01Å; I222-F246 HydrophobicContact CG2-CD1 3.86Å; I222-F246 HydrophobicContact CG2-CE1 4.01Å; I222-I249 HydrophobicContact CG2-CG1 4.05Å; I222-L339 HydrophobicContact CG2-CD1 4.33Å; I222-L342 HydrophobicContact CD1-CB 3.99Å; I222-L342 HydrophobicContact CG1-CB 3.99Å; I222-L343 HydrophobicContact CG2-CD2 3.99Å |
| 223 | I | 95.5 | Very high | 93.2 | Very high | 20 Ų | 20 | 32.2 Ų | 32.2 | 10% | 0.103 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -75.9 | -51.9 | -173.6 | -67.2 | 167.1 | 0 | 0 | 0 | 111.6 | L219 N220 L221 R227 E228 I249 H253 | L219-I223 WeakPolarHBondContact O-CB 3.29Å; L219-I223 VanDerWaalsContact O-CG1 3.26Å; L219-I223 WeakPolarHBondContact O-CG1 3.47Å; L219-I223 PolarHBondContact O-N 2.91Å; N220-I223 PolarHBondContact O-N 3.3Å; L221-I223 PolarHBondContact O-N 3.22Å; I223-R227 WeakPolarHBondContact O-CB 3.26Å; I223-E228 PolarHBondContact O-N 2.9Å; I223-E228 VanDerWaalsContact O-N 3.09Å; I223-I249 HydrophobicContact CG1-CG1 4.3Å; I223-I249 HydrophobicContact CG1-CG2 4.14Å; I223-H253 HydrophobicContact CD1-CB 3.49Å; I223-H253 VanDerWaalsContact CD1-CB 3.49Å |
| 224 | K | 93.4 | Very high | 93.3 | Very high | 39 Ų | 39 | 32.4 Ų | 32.4 | 17% | 0.17 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -89.9 | -21.2 | -168.3 | -60.3 | -176.6 | 176.4 | -177.5 | 0 | 113.9 | N220 E228 L554 T557 M558 E561 | N220-K224 VanDerWaalsContact O-CB 3.28Å; N220-K224 WeakPolarHBondContact O-CB 3.45Å; N220-K224 PolarHBondContact O-N 2.83Å; N220-K224 WeakPolarHBondContact OD1-CE 3.47Å; N220-K224 PolarHBondContact OD1-NZ 2.92Å; K224-E228 WeakPolarHBondContact O-CB 3.43Å; K224-L554 HydrophobicContact CB-CD1 4.27Å; K224-L554 HydrophobicContact CD-CD1 4.49Å; K224-T557 HydrophobicContact CB-CG2 4.06Å; K224-T557 HydrophobicContact CD-CG2 4.46Å; K224-M558 HydrophobicContact CD-SD 3.67Å; K224-M558 PolarHBondContact NZ-SD 3.49Å; K224-E561 WeakPolarHBondContact CD-OE1 3.42Å; K224-E561 VanDerWaalsContact CE-OE1 3.27Å; K224-E561 WeakPolarHBondContact CE-OE1 3.42Å; K224-E561 WeakPolarHBondContact CE-OE2 3.5Å; K224-E561 IonicContact NZ-OE1 3.51Å; K224-E561 PolarHBondContact NZ-OE1 2.74Å; K224-E561 IonicContact NZ-OE2 3.81Å; K224-E561 PolarHBondContact NZ-OE2 2.8Å |
| 225 | V | 93.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.024 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -106.7 | -49 | 178.9 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | L221 P229 F331 L550 M553 L554 | L221-V225 HydrophobicContact CD1-CB 3.95Å; L221-V225 HydrophobicContact CD1-CG1 4.34Å; L221-V225 HydrophobicContact CD1-CG2 3.81Å; L221-V225 VanDerWaalsContact O-CB 3.28Å; L221-V225 WeakPolarHBondContact O-CB 3.47Å; L221-V225 PolarHBondContact O-N 3.14Å; L221-V225 VanDerWaalsContact O-N 3.13Å; V225-P229 WeakPolarHBondContact O-CD 3.46Å; V225-P229 WeakPolarHBondContact O-CG 3.26Å; V225-F331 HydrophobicContact CG1-CE2 4.1Å; V225-F331 WeakPolarHBondContact O-CZ 3.4Å; V225-L550 HydrophobicContact CG1-CD2 3.83Å; V225-M553 HydrophobicContact CG1-CB 4.21Å; V225-M553 HydrophobicContact CG1-CE 4.08Å; V225-M553 HydrophobicContact CG1-SD 4.35Å; V225-M553 HydrophobicContact CG2-CB 4.23Å; V225-L554 HydrophobicContact CG2-CB 3.75Å; V225-L554 HydrophobicContact CG2-CD1 4.34Å |
| 226 | F | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -86.1 | -45.8 | -176.4 | -73.3 | -80.5 | 0 | 0 | 0 | 114 | L221 I222 F230 F246 F331 A334 V335 L339 L342 L550 | L221-F226 HydrophobicContact CD2-CE2 4.34Å; L221-F226 HydrophobicContact CG-CD2 4.3Å; L221-F226 HydrophobicContact CG-CE2 4.04Å; L221-F226 PolarHBondContact O-N 3.27Å; I222-F226 WeakPolarHBondContact O-CB 3.34Å; I222-F226 PolarHBondContact O-N 3.24Å; F226-F230 WeakPolarHBondContact O-CD2 3.47Å; F226-F230 WeakPolarHBondContact O-CE2 3.18Å; F226-F246 HydrophobicContact CB-CE1 4.26Å; F226-F246 HydrophobicContact CB-CZ 4.44Å; F226-F331 HydrophobicContact CD1-CE2 4.44Å; F226-F331 HydrophobicContact CD1-CZ 4.49Å; F226-A334 HydrophobicContact CE1-CB 4.12Å; F226-A334 HydrophobicContact CZ-CB 4.37Å; F226-V335 HydrophobicContact CD1-CG2 3.9Å; F226-V335 HydrophobicContact CE1-CG2 4.18Å; F226-L339 HydrophobicContact CB-CD1 3.85Å; F226-L339 HydrophobicContact CB-CD2 4.23Å; F226-L339 HydrophobicContact CD1-CB 4.04Å; F226-L339 HydrophobicContact CD1-CD1 4.17Å; F226-L339 HydrophobicContact CD1-CD2 4.21Å; F226-L339 HydrophobicContact CD1-CG 4.37Å; F226-L339 HydrophobicContact CD2-CD1 4.3Å; F226-L339 HydrophobicContact CE1-CB 4.17Å; F226-L339 HydrophobicContact CG-CD1 3.86Å; F226-L339 HydrophobicContact CG-CD2 4.48Å; F226-L342 HydrophobicContact CD2-CD1 4.09Å; F226-L342 HydrophobicContact CE2-CD1 3.43Å; F226-L342 VanDerWaalsContact CE2-CD1 3.43Å; F226-L342 HydrophobicContact CZ-CD1 3.92Å; F226-L550 HydrophobicContact CE1-CD2 4.27Å; F226-L550 HydrophobicContact CE2-CD1 4.15Å; F226-L550 HydrophobicContact CE2-CD2 4.02Å; F226-L550 HydrophobicContact CZ-CD1 3.65Å; F226-L550 HydrophobicContact CZ-CD2 3.65Å; F226-L550 HydrophobicContact CZ-CG 4.31Å |
| 227 | R | 96.3 | Very high | 93.5 | Very high | 60 Ų | 60 | 40.6 Ų | 40.6 | 23% | 0.226 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -77.8 | -37.3 | -176.4 | 176.8 | -178.5 | 177.7 | -80 | -0.3 | 112.3 | I222 I223 F230 V231 V242 F246 | I222-R227 WeakPolarHBondContact O-CB 3.44Å; I222-R227 PolarHBondContact O-N 3.01Å; I223-R227 WeakPolarHBondContact O-CB 3.26Å; R227-F230 WeakPolarHBondContact O-CB 3.47Å; R227-F230 PolarHBondContact O-N 2.94Å; R227-V231 HydrophobicContact CG-CG2 4.06Å; R227-V231 PolarHBondContact O-N 3.24Å; R227-V242 HydrophobicContact CG-CG1 4.04Å; R227-F246 VanDerWaalsContact CA-CZ 3.42Å; R227-F246 HydrophobicContact CB-CD1 3.96Å; R227-F246 HydrophobicContact CB-CD2 4.05Å; R227-F246 HydrophobicContact CB-CE1 3.73Å; R227-F246 HydrophobicContact CB-CE2 3.84Å; R227-F246 HydrophobicContact CB-CG 4.12Å; R227-F246 HydrophobicContact CB-CZ 3.69Å; R227-F246 HydrophobicContact CG-CD1 4.39Å; R227-F246 HydrophobicContact CG-CD2 3.79Å; R227-F246 HydrophobicContact CG-CE2 3.94Å; R227-F246 HydrophobicContact CG-CG 4.05Å; R227-F246 HydrophobicContact CG-CZ 4.31Å |
| 228 | E | 93.9 | Very high | 93.6 | Very high | 83 Ų | 83 | 40.3 Ų | 40.3 | 39% | 0.388 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -52.5 | -48.4 | -176 | -174.8 | 54 | -143 | 0 | 0 | 113.2 | I223 K224 F230 V231 S232 | I223-E228 PolarHBondContact O-N 2.9Å; I223-E228 VanDerWaalsContact O-N 3.09Å; K224-E228 WeakPolarHBondContact O-CB 3.43Å; E228-F230 VanDerWaalsContact C-N 3.26Å; E228-F230 PolarHBondContact O-N 2.86Å; E228-F230 VanDerWaalsContact O-N 3.15Å; E228-V231 CarbonylContact O-C 3.58Å; E228-V231 WeakPolarHBondContact O-CA 3.34Å; E228-V231 WeakPolarHBondContact O-CB 3.21Å; E228-V231 PolarHBondContact O-N 3.43Å; E228-S232 PolarHBondContact O-N 3.33Å; E228-S232 PolarHBondContact O-OG 2.98Å; E228-S232 PolarHBondContact OE1-OG 3Å |
| 229 | P | 94 | Very high | 93.6 | Very high | 13 Ų | 13 | 42.6 Ų | 42.6 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58 | -32.4 | 175.8 | -28.2 | 37.9 | 0 | 0 | 0 | 114.9 | V225 V231 N233 Y323 I327 F331 | V225-P229 WeakPolarHBondContact O-CD 3.46Å; V225-P229 WeakPolarHBondContact O-CG 3.26Å; P229-V231 VanDerWaalsContact C-N 3.32Å; P229-N233 PolarHBondContact O-N 3.32Å; P229-Y323 HydrophobicContact CB-CE1 4.16Å; P229-Y323 VanDerWaalsContact O-CE1 3.32Å; P229-Y323 WeakPolarHBondContact O-CE1 3.3Å; P229-Y323 PolarHBondContact O-OH 3.43Å; P229-I327 HydrophobicContact CB-CD1 4.4Å; P229-I327 HydrophobicContact CB-CG1 4.22Å; P229-I327 HydrophobicContact CG-CG1 4.49Å; P229-I327 HydrophobicContact CG-CG2 4.37Å; P229-F331 HydrophobicContact CB-CE1 4.31Å; P229-F331 HydrophobicContact CG-CE1 4.02Å; P229-F331 HydrophobicContact CG-CZ 3.81Å |
| 230 | F | 95.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72 | -30.9 | 175.9 | -67.1 | -103.3 | 0 | 0 | 0 | 111.5 | F226 R227 E228 F237 V242 I245 F246 L324 V335 | F226-F230 WeakPolarHBondContact O-CD2 3.47Å; F226-F230 WeakPolarHBondContact O-CE2 3.18Å; R227-F230 WeakPolarHBondContact O-CB 3.47Å; R227-F230 PolarHBondContact O-N 2.94Å; E228-F230 VanDerWaalsContact C-N 3.26Å; E228-F230 PolarHBondContact O-N 2.86Å; E228-F230 VanDerWaalsContact O-N 3.15Å; F230-F237 HydrophobicContact CB-CD2 4.32Å; F230-F237 HydrophobicContact CB-CG 4.36Å; F230-F237 AromaticContact CD1-CD1 3.51Å; F230-F237 HydrophobicContact CD1-CD1 3.51Å; F230-F237 AromaticContact CD1-CD2 4Å; F230-F237 HydrophobicContact CD1-CD2 4Å; F230-F237 AromaticContact CD1-CE1 3.49Å; F230-F237 HydrophobicContact CD1-CE1 3.49Å; F230-F237 VanDerWaalsContact CD1-CE1 3.49Å; F230-F237 AromaticContact CD1-CE2 3.95Å; F230-F237 HydrophobicContact CD1-CE2 3.95Å; F230-F237 AromaticContact CD1-CG 3.79Å; F230-F237 HydrophobicContact CD1-CG 3.79Å; F230-F237 AromaticContact CD1-CZ 3.72Å; F230-F237 HydrophobicContact CD1-CZ 3.72Å; F230-F237 HydrophobicContact CE1-CD1 4.02Å; F230-F237 AromaticContact CE1-CE1 3.54Å; F230-F237 HydrophobicContact CE1-CE1 3.54Å; F230-F237 HydrophobicContact CE1-CE2 4.38Å; F230-F237 AromaticContact CE1-CZ 3.75Å; F230-F237 HydrophobicContact CE1-CZ 3.75Å; F230-F237 HydrophobicContact CG-CD2 4.43Å; F230-F237 HydrophobicContact CG-CE2 4.48Å; F230-F237 HydrophobicContact CG-CG 4.48Å; F230-F237 WeakPolarHBondContact O-CB 3.36Å; F230-V242 HydrophobicContact CB-CG2 4.06Å; F230-I245 HydrophobicContact CD1-CD1 3.8Å; F230-I245 HydrophobicContact CE1-CD1 3.56Å; F230-I245 HydrophobicContact CZ-CD1 4.28Å; F230-F246 HydrophobicContact CB-CE2 4.4Å; F230-F246 HydrophobicContact CD2-CE2 4.02Å; F230-F246 HydrophobicContact CD2-CZ 4.1Å; F230-F246 HydrophobicContact CE2-CE2 4.48Å; F230-F246 HydrophobicContact CE2-CZ 4.27Å; F230-F246 HydrophobicContact CG-CE2 4.15Å; F230-L324 HydrophobicContact CE2-CD2 4.26Å; F230-L324 HydrophobicContact CZ-CD2 4.16Å; F230-V335 HydrophobicContact CE2-CG1 4.1Å; F230-V335 HydrophobicContact CZ-CG1 3.73Å |
| 231 | V | 94.2 | Very high | 93.4 | Very high | 59 Ų | 59 | 48.5 Ų | 48.5 | 36% | 0.358 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -77.9 | -43.8 | 176.7 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | R227 E228 P229 N233 V242 | R227-V231 HydrophobicContact CG-CG2 4.06Å; R227-V231 PolarHBondContact O-N 3.24Å; E228-V231 CarbonylContact O-C 3.58Å; E228-V231 WeakPolarHBondContact O-CA 3.34Å; E228-V231 WeakPolarHBondContact O-CB 3.21Å; E228-V231 PolarHBondContact O-N 3.43Å; P229-V231 VanDerWaalsContact C-N 3.32Å; V231-N233 VanDerWaalsContact C-N 3.25Å; V231-N233 PolarHBondContact O-N 3.07Å; V231-V242 HydrophobicContact CG2-CG1 4.05Å; V231-V242 HydrophobicContact CG2-CG2 4.34Å |
| 232 | S | 92.8 | Very high | 93.5 | Very high | 74 Ų | 74 | 48.5 Ų | 48.5 | 52% | 0.517 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.5 | -29.3 | -176.8 | -37.2 | 0 | 0 | 0 | 0 | 112.5 | E228 S234 | E228-S232 PolarHBondContact O-N 3.33Å; E228-S232 PolarHBondContact O-OG 2.98Å; E228-S232 PolarHBondContact OE1-OG 3Å; S232-S234 PolarHBondContact O-N 3.42Å |
| 233 | N | 92.1 | Very high | 93.4 | Very high | 34 Ų | 34 | 51 Ų | 51 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | trans | -101.1 | 67.2 | 177.5 | -164.2 | -12.9 | 0 | 0 | 0 | 113 | P229 V231 K235 L236 F237 Y323 | P229-N233 PolarHBondContact O-N 3.32Å; V231-N233 VanDerWaalsContact C-N 3.25Å; V231-N233 PolarHBondContact O-N 3.07Å; N233-K235 PolarHBondContact O-N 3.23Å; N233-K235 VanDerWaalsContact O-N 3.11Å; N233-L236 HydrophobicContact CB-CB 4.38Å; N233-L236 PolarHBondContact O-N 3.47Å; N233-L236 WeakPolarHBondContact OD1-CB 3.25Å; N233-L236 PolarHBondContact OD1-N 3.44Å; N233-F237 PolarHBondContact O-N 2.85Å; N233-Y323 HydrophobicContact CB-CD1 4.46Å; N233-Y323 HydrophobicContact CB-CE1 3.81Å; N233-Y323 HydrophobicContact CB-CE2 3.94Å; N233-Y323 WeakPolarHBondContact ND2-CD2 3.48Å; N233-Y323 VanDerWaalsContact ND2-CE2 3.33Å; N233-Y323 WeakPolarHBondContact ND2-CE2 3.3Å | ||
| 234 | S | 90 | Very high | 93.3 | Very high | 93 Ų | 93 | 53.6 Ų | 53.6 | 65% | 0.65 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -21.1 | 179.3 | 63 | 0 | 0 | 0 | 0 | 114.8 | S232 F237 | S232-S234 PolarHBondContact O-N 3.42Å; S234-F237 WeakPolarHBondContact CA-O 3.48Å |
| 235 | K | 90.6 | Very high | 93.3 | Very high | 201 Ų | 201 | 51.9 Ų | 51.9 | 87% | 0.874 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -33 | 175.1 | -65.2 | -178.4 | -178.2 | 177.2 | 0 | 112.1 | N233 | N233-K235 PolarHBondContact O-N 3.23Å; N233-K235 VanDerWaalsContact O-N 3.11Å |
| 236 | L | 92.2 | Very high | 93.4 | Very high | 39 Ų | 39 | 51.8 Ų | 51.8 | 20% | 0.204 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -42.6 | -176 | -150.2 | 171 | 0 | 0 | 0 | 110.3 | N233 K317 A320 Y323 | N233-L236 HydrophobicContact CB-CB 4.38Å; N233-L236 PolarHBondContact O-N 3.47Å; N233-L236 WeakPolarHBondContact OD1-CB 3.25Å; N233-L236 PolarHBondContact OD1-N 3.44Å; L236-K317 HydrophobicContact CD2-CD 4.23Å; L236-K317 HydrophobicContact CD2-CG 4.39Å; L236-K317 PolarHBondContact O-NZ 3.32Å; L236-A320 HydrophobicContact CD2-CB 3.91Å; L236-Y323 HydrophobicContact CD1-CD1 4.26Å; L236-Y323 HydrophobicContact CD1-CG 4Å |
| 237 | F | 93.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 52 Ų | 52 | 1% | 0.013 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -118.3 | 122.2 | 179.6 | -51.5 | -85.9 | 0 | 0 | 0 | 110.8 | F230 N233 S234 D241 Q314 A320 Y323 | F230-F237 HydrophobicContact CB-CD2 4.32Å; F230-F237 HydrophobicContact CB-CG 4.36Å; F230-F237 AromaticContact CD1-CD1 3.51Å; F230-F237 HydrophobicContact CD1-CD1 3.51Å; F230-F237 AromaticContact CD1-CD2 4Å; F230-F237 HydrophobicContact CD1-CD2 4Å; F230-F237 AromaticContact CD1-CE1 3.49Å; F230-F237 HydrophobicContact CD1-CE1 3.49Å; F230-F237 VanDerWaalsContact CD1-CE1 3.49Å; F230-F237 AromaticContact CD1-CE2 3.95Å; F230-F237 HydrophobicContact CD1-CE2 3.95Å; F230-F237 AromaticContact CD1-CG 3.79Å; F230-F237 HydrophobicContact CD1-CG 3.79Å; F230-F237 AromaticContact CD1-CZ 3.72Å; F230-F237 HydrophobicContact CD1-CZ 3.72Å; F230-F237 HydrophobicContact CE1-CD1 4.02Å; F230-F237 AromaticContact CE1-CE1 3.54Å; F230-F237 HydrophobicContact CE1-CE1 3.54Å; F230-F237 HydrophobicContact CE1-CE2 4.38Å; F230-F237 AromaticContact CE1-CZ 3.75Å; F230-F237 HydrophobicContact CE1-CZ 3.75Å; F230-F237 HydrophobicContact CG-CD2 4.43Å; F230-F237 HydrophobicContact CG-CE2 4.48Å; F230-F237 HydrophobicContact CG-CG 4.48Å; F230-F237 WeakPolarHBondContact O-CB 3.36Å; N233-F237 PolarHBondContact O-N 2.85Å; S234-F237 WeakPolarHBondContact CA-O 3.48Å; F237-D241 HydrophobicContact CB-CB 4.24Å; F237-Q314 HydrophobicContact CD1-CG 4.23Å; F237-Q314 HydrophobicContact CE1-CG 4.21Å; F237-A320 HydrophobicContact CE1-CB 4.41Å; F237-A320 HydrophobicContact CZ-CB 4.11Å; F237-Y323 AromaticContact CE2-CD1 3.81Å; F237-Y323 HydrophobicContact CE2-CD1 3.81Å; F237-Y323 HydrophobicContact CE2-CE1 4.03Å |
| 238 | S | 93 | Very high | 93.3 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 39% | 0.392 | 30% | 0.299 | S | S | . | . | trans | -74.6 | 165.2 | 173 | 68.4 | 0 | 0 | 0 | 0 | 111.8 | N240 D241 V242 | S238-N240 PolarHBondContact O-N 3.21Å; S238-D241 WeakPolarHBondContact CB-OD2 3.5Å; S238-D241 PolarHBondContact N-OD2 2.87Å; S238-D241 VanDerWaalsContact O-CB 3.26Å; S238-D241 WeakPolarHBondContact O-CB 3.49Å; S238-D241 PolarHBondContact O-N 2.89Å; S238-D241 PolarHBondContact OG-N 2.99Å; S238-D241 PolarHBondContact OG-OD2 3.4Å; S238-V242 PolarHBondContact O-N 2.84Å | ||
| 239 | A | 92.4 | Very high | 93.5 | Very high | 89 Ų | 89 | 49.8 Ų | 49.8 | 74% | 0.736 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -56.2 | -38.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D241 V242 E243 | A239-D241 VanDerWaalsContact C-N 3.32Å; A239-D241 PolarHBondContact O-N 3.24Å; A239-V242 PolarHBondContact O-N 2.97Å; A239-E243 PolarHBondContact O-N 2.83Å |
| 240 | N | 92.3 | Very high | 93.5 | Very high | 104 Ų | 104 | 51.2 Ų | 51.2 | 56% | 0.556 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -68.1 | -32 | 176.4 | -174.3 | 69.3 | 0 | 0 | 0 | 112.2 | S238 E243 N244 | S238-N240 PolarHBondContact O-N 3.21Å; N240-E243 PolarHBondContact O-N 3.26Å; N240-N244 PolarHBondContact ND2-ND2 3.33Å; N240-N244 VanDerWaalsContact ND2-ND2 3.14Å; N240-N244 VanDerWaalsContact O-CG 3.27Å; N240-N244 PolarHBondContact O-N 2.99Å; N240-N244 PolarHBondContact O-ND2 2.86Å |
| 241 | D | 92.8 | Very high | 93.5 | Very high | 35 Ų | 35 | 53.8 Ų | 53.8 | 19% | 0.187 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 175.3 | -67.9 | -43.4 | 0 | 0 | 0 | 112 | F237 S238 A239 E243 N244 I245 Q314 K317 | F237-D241 HydrophobicContact CB-CB 4.24Å; S238-D241 WeakPolarHBondContact CB-OD2 3.5Å; S238-D241 PolarHBondContact N-OD2 2.87Å; S238-D241 VanDerWaalsContact O-CB 3.26Å; S238-D241 WeakPolarHBondContact O-CB 3.49Å; S238-D241 PolarHBondContact O-N 2.89Å; S238-D241 PolarHBondContact OG-N 2.99Å; S238-D241 PolarHBondContact OG-OD2 3.4Å; A239-D241 VanDerWaalsContact C-N 3.32Å; A239-D241 PolarHBondContact O-N 3.24Å; D241-E243 VanDerWaalsContact C-N 3.32Å; D241-N244 PolarHBondContact O-N 3.15Å; D241-I245 WeakPolarHBondContact O-CG1 3.44Å; D241-I245 PolarHBondContact O-N 3.48Å; D241-Q314 PolarHBondContact OD1-NE2 3.39Å; D241-Q314 PolarHBondContact OD2-NE2 3.41Å; D241-K317 IonicContact OD2-NZ 3.14Å |
| 242 | V | 94 | Very high | 93.7 | Very high | 10 Ų | 10 | 51 Ų | 51 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 175 | -177.9 | 0 | 0 | 0 | 0 | 109.8 | R227 F230 V231 S238 A239 N244 I245 F246 | R227-V242 HydrophobicContact CG-CG1 4.04Å; F230-V242 HydrophobicContact CB-CG2 4.06Å; V231-V242 HydrophobicContact CG2-CG1 4.05Å; V231-V242 HydrophobicContact CG2-CG2 4.34Å; S238-V242 PolarHBondContact O-N 2.84Å; A239-V242 PolarHBondContact O-N 2.97Å; V242-N244 VanDerWaalsContact C-N 3.35Å; V242-N244 PolarHBondContact O-N 2.8Å; V242-I245 PolarHBondContact O-N 3.49Å; V242-I245 VanDerWaalsContact O-N 3.17Å; V242-F246 HydrophobicContact CG1-CD2 3.89Å; V242-F246 WeakPolarHBondContact O-CD2 3.36Å; V242-F246 PolarHBondContact O-N 3.3Å |
| 243 | E | 93.7 | Very high | 93.9 | Very high | 55 Ų | 55 | 49.1 Ų | 49.1 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60 | -41.8 | 178.3 | -171.5 | 60 | -159.5 | 0 | 0 | 112.8 | A239 N240 D241 I245 S247 R248 | A239-E243 PolarHBondContact O-N 2.83Å; N240-E243 PolarHBondContact O-N 3.26Å; D241-E243 VanDerWaalsContact C-N 3.32Å; E243-I245 PolarHBondContact O-N 3.02Å; E243-S247 WeakPolarHBondContact O-CA 3.46Å; E243-S247 PolarHBondContact O-N 3.45Å; E243-S247 WeakPolarHBondContact OE1-CA 3.22Å; E243-R248 IonicContact OE1-CZ 3.39Å; E243-R248 IonicContact OE1-NE 3.52Å; E243-R248 PolarHBondContact OE1-NE 3.14Å; E243-R248 IonicContact OE1-NH2 3.41Å; E243-R248 PolarHBondContact OE1-NH2 2.85Å; E243-R248 IonicContact OE2-CZ 3.96Å; E243-R248 IonicContact OE2-NE 3.4Å; E243-R248 IonicContact OE2-NH2 2.81Å; E243-R248 PolarHBondContact OE2-NH2 2.87Å |
| 244 | N | 93.3 | Very high | 93.9 | Very high | 73 Ų | 73 | 53.3 Ų | 53.3 | 39% | 0.39 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66 | -21.4 | 179.5 | -74.3 | -51.8 | 0 | 0 | 0 | 113.7 | N240 D241 V242 | N240-N244 PolarHBondContact ND2-ND2 3.33Å; N240-N244 VanDerWaalsContact ND2-ND2 3.14Å; N240-N244 VanDerWaalsContact O-CG 3.27Å; N240-N244 PolarHBondContact O-N 2.99Å; N240-N244 PolarHBondContact O-ND2 2.86Å; D241-N244 PolarHBondContact O-N 3.15Å; V242-N244 VanDerWaalsContact C-N 3.35Å; V242-N244 PolarHBondContact O-N 2.8Å |
| 245 | I | 94.5 | Very high | 94.2 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -91.4 | -50.2 | 178.4 | -62.7 | 173.1 | 0 | 0 | 0 | 110.5 | F230 D241 V242 E243 F311 Q314 L339 L343 | F230-I245 HydrophobicContact CD1-CD1 3.8Å; F230-I245 HydrophobicContact CE1-CD1 3.56Å; F230-I245 HydrophobicContact CZ-CD1 4.28Å; D241-I245 WeakPolarHBondContact O-CG1 3.44Å; D241-I245 PolarHBondContact O-N 3.48Å; V242-I245 PolarHBondContact O-N 3.49Å; V242-I245 VanDerWaalsContact O-N 3.17Å; E243-I245 PolarHBondContact O-N 3.02Å; I245-F311 HydrophobicContact CG1-CD2 4.21Å; I245-F311 HydrophobicContact CG2-CD2 3.98Å; I245-F311 HydrophobicContact CG2-CE2 3.86Å; I245-Q314 HydrophobicContact CD1-CG 4.03Å; I245-L339 HydrophobicContact CG2-CD2 4.38Å; I245-L343 HydrophobicContact CG2-CD1 4.49Å; I245-L343 WeakPolarHBondContact O-CD1 3.37Å |
| 246 | F | 96 | Very high | 94.4 | Very high | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -104.5 | -14.4 | -167.3 | -61.9 | -79.7 | 0 | 0 | 0 | 113.8 | I222 F226 R227 F230 V242 R248 I249 Y298 L339 L343 | I222-F246 HydrophobicContact CG2-CD1 3.86Å; I222-F246 HydrophobicContact CG2-CE1 4.01Å; F226-F246 HydrophobicContact CB-CE1 4.26Å; F226-F246 HydrophobicContact CB-CZ 4.44Å; R227-F246 VanDerWaalsContact CA-CZ 3.42Å; R227-F246 HydrophobicContact CB-CD1 3.96Å; R227-F246 HydrophobicContact CB-CD2 4.05Å; R227-F246 HydrophobicContact CB-CE1 3.73Å; R227-F246 HydrophobicContact CB-CE2 3.84Å; R227-F246 HydrophobicContact CB-CG 4.12Å; R227-F246 HydrophobicContact CB-CZ 3.69Å; R227-F246 HydrophobicContact CG-CD1 4.39Å; R227-F246 HydrophobicContact CG-CD2 3.79Å; R227-F246 HydrophobicContact CG-CE2 3.94Å; R227-F246 HydrophobicContact CG-CG 4.05Å; R227-F246 HydrophobicContact CG-CZ 4.31Å; F230-F246 HydrophobicContact CB-CE2 4.4Å; F230-F246 HydrophobicContact CD2-CE2 4.02Å; F230-F246 HydrophobicContact CD2-CZ 4.1Å; F230-F246 HydrophobicContact CE2-CE2 4.48Å; F230-F246 HydrophobicContact CE2-CZ 4.27Å; F230-F246 HydrophobicContact CG-CE2 4.15Å; V242-F246 HydrophobicContact CG1-CD2 3.89Å; V242-F246 WeakPolarHBondContact O-CD2 3.36Å; V242-F246 PolarHBondContact O-N 3.3Å; F246-R248 PolarHBondContact O-N 3.25Å; F246-I249 HydrophobicContact CB-CG2 3.83Å; F246-I249 WeakPolarHBondContact O-CB 3.23Å; F246-I249 PolarHBondContact O-N 3.24Å; F246-Y298 WeakPolarHBondContact O-CE2 3.04Å; F246-L339 HydrophobicContact CE1-CD1 3.96Å; F246-L339 HydrophobicContact CE1-CD2 3.86Å; F246-L339 HydrophobicContact CE1-CG 4.47Å; F246-L339 HydrophobicContact CZ-CD2 3.88Å; F246-L343 HydrophobicContact CD1-CD2 4.02Å |
| 247 | S | 95.2 | Very high | 94.4 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | -138.9 | -176.3 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | E243 I249 D301 | E243-S247 WeakPolarHBondContact O-CA 3.46Å; E243-S247 PolarHBondContact O-N 3.45Å; E243-S247 WeakPolarHBondContact OE1-CA 3.22Å; S247-I249 PolarHBondContact O-N 3.14Å; S247-I249 VanDerWaalsContact O-N 3.09Å; S247-D301 PolarHBondContact OG-OD2 3.46Å |
| 248 | R | 94.1 | Very high | 94.3 | Very high | 95 Ų | 95 | 44.4 Ų | 44.4 | 36% | 0.358 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 31.6 | -177 | -50.3 | -72.7 | 81.3 | -158.2 | 13.3 | 114.1 | E243 F246 V250 D251 I252 P294 | E243-R248 IonicContact OE1-CZ 3.39Å; E243-R248 IonicContact OE1-NE 3.52Å; E243-R248 PolarHBondContact OE1-NE 3.14Å; E243-R248 IonicContact OE1-NH2 3.41Å; E243-R248 PolarHBondContact OE1-NH2 2.85Å; E243-R248 IonicContact OE2-CZ 3.96Å; E243-R248 IonicContact OE2-NE 3.4Å; E243-R248 IonicContact OE2-NH2 2.81Å; E243-R248 PolarHBondContact OE2-NH2 2.87Å; F246-R248 PolarHBondContact O-N 3.25Å; R248-V250 PolarHBondContact O-N 3.18Å; R248-D251 HydrophobicContact CB-CB 4.37Å; R248-D251 WeakPolarHBondContact CD-OD2 3.22Å; R248-D251 IonicContact CZ-OD2 3.88Å; R248-D251 IonicContact NE-OD2 3.95Å; R248-D251 IonicContact NH1-OD2 3.64Å; R248-D251 PolarHBondContact NH1-OD2 2.96Å; R248-D251 PolarHBondContact O-N 3.16Å; R248-I252 PolarHBondContact O-N 3.33Å; R248-P294 HydrophobicContact CB-CB 4.37Å |
| 249 | I | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.2 | -32 | -175.3 | -164.8 | 64.7 | 0 | 0 | 0 | 113.3 | L219 I222 I223 F246 S247 H253 Y298 P346 | L219-I249 HydrophobicContact CD2-CD1 3.58Å; L219-I249 HydrophobicContact CD2-CG1 4.32Å; I222-I249 HydrophobicContact CG2-CG1 4.05Å; I223-I249 HydrophobicContact CG1-CG1 4.3Å; I223-I249 HydrophobicContact CG1-CG2 4.14Å; F246-I249 HydrophobicContact CB-CG2 3.83Å; F246-I249 WeakPolarHBondContact O-CB 3.23Å; F246-I249 PolarHBondContact O-N 3.24Å; S247-I249 PolarHBondContact O-N 3.14Å; S247-I249 VanDerWaalsContact O-N 3.09Å; I249-H253 PolarHBondContact O-N 3.15Å; I249-Y298 HydrophobicContact CB-CE2 4.14Å; I249-Y298 HydrophobicContact CD1-CE2 3.79Å; I249-P346 HydrophobicContact CD1-CG 3.84Å |
| 250 | V | 95.3 | Very high | 94.5 | Very high | 43 Ų | 43 | 38.3 Ų | 38.3 | 26% | 0.261 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -69 | -44.4 | 179.4 | -179.5 | 0 | 0 | 0 | 0 | 110.3 | R248 I252 H253 E254 | R248-V250 PolarHBondContact O-N 3.18Å; V250-I252 VanDerWaalsContact C-N 3.29Å; V250-I252 PolarHBondContact O-N 3.1Å; V250-H253 WeakPolarHBondContact O-CB 3.32Å; V250-H253 PolarHBondContact O-N 2.86Å; V250-H253 VanDerWaalsContact O-N 3.11Å; V250-E254 PolarHBondContact O-N 3.18Å |
| 251 | D | 95.7 | Very high | 94.3 | Very high | 56 Ų | 56 | 34.3 Ų | 34.3 | 30% | 0.299 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.7 | -40.7 | 177.9 | -54.9 | -28.4 | 0 | 0 | 0 | 110.7 | R248 E254 L255 P294 | R248-D251 HydrophobicContact CB-CB 4.37Å; R248-D251 WeakPolarHBondContact CD-OD2 3.22Å; R248-D251 IonicContact CZ-OD2 3.88Å; R248-D251 IonicContact NE-OD2 3.95Å; R248-D251 IonicContact NH1-OD2 3.64Å; R248-D251 PolarHBondContact NH1-OD2 2.96Å; R248-D251 PolarHBondContact O-N 3.16Å; D251-E254 PolarHBondContact O-N 2.91Å; D251-L255 WeakPolarHBondContact O-CB 3.42Å; D251-L255 PolarHBondContact O-N 3.35Å; D251-P294 HydrophobicContact CB-CB 4.08Å; D251-P294 HydrophobicContact CB-CG 4.18Å |
| 252 | I | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64 | -40.4 | 175.2 | -70.9 | 174.3 | 0 | 0 | 0 | 111.9 | Y215 L219 R248 V250 S256 P294 Y295 Y298 P346 | Y215-I252 WeakPolarHBondContact OH-CG2 3.45Å; L219-I252 HydrophobicContact CD1-CG2 4.13Å; L219-I252 HydrophobicContact CD2-CG2 4.4Å; R248-I252 PolarHBondContact O-N 3.33Å; V250-I252 VanDerWaalsContact C-N 3.29Å; V250-I252 PolarHBondContact O-N 3.1Å; I252-S256 WeakPolarHBondContact O-CB 3.44Å; I252-S256 PolarHBondContact O-N 3.46Å; I252-S256 PolarHBondContact O-OG 3.17Å; I252-P294 HydrophobicContact CG1-CB 4.23Å; I252-Y295 HydrophobicContact CD1-CD1 3.9Å; I252-Y295 HydrophobicContact CD1-CE1 4.15Å; I252-Y295 HydrophobicContact CD1-CG 4.39Å; I252-Y295 HydrophobicContact CG1-CD1 4.24Å; I252-Y295 HydrophobicContact CG1-CE1 4.26Å; I252-Y295 HydrophobicContact CG1-CG 4.43Å; I252-Y295 HydrophobicContact CG2-CD1 4.46Å; I252-Y295 HydrophobicContact CG2-CE1 3.68Å; I252-Y298 HydrophobicContact CD1-CD1 3.98Å; I252-Y298 HydrophobicContact CD1-CD2 3.75Å; I252-Y298 HydrophobicContact CD1-CE2 4.44Å; I252-Y298 HydrophobicContact CD1-CG 3.49Å; I252-Y298 VanDerWaalsContact CD1-CG 3.49Å; I252-P346 HydrophobicContact CD1-CB 4.11Å; I252-P346 HydrophobicContact CG2-CB 4.37Å |
| 253 | H | 96.6 | Very high | 94.2 | Very high | 35 Ų | 35 | 34.5 Ų | 34.5 | 16% | 0.162 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.9 | -47.4 | 175.9 | 171.3 | -91.7 | 0 | 0 | 0 | 111.6 | L219 N220 I223 I249 V250 L255 S256 V257 | L219-H253 HydrophobicContact CB-CB 4.32Å; L219-H253 HydrophobicContact CD1-CB 3.99Å; N220-H253 PolarHBondContact ND2-NE2 3.38Å; N220-H253 VanDerWaalsContact ND2-NE2 3.17Å; N220-H253 PolarHBondContact OD1-NE2 3.09Å; I223-H253 HydrophobicContact CD1-CB 3.49Å; I223-H253 VanDerWaalsContact CD1-CB 3.49Å; I249-H253 PolarHBondContact O-N 3.15Å; V250-H253 WeakPolarHBondContact O-CB 3.32Å; V250-H253 PolarHBondContact O-N 2.86Å; V250-H253 VanDerWaalsContact O-N 3.11Å; H253-L255 VanDerWaalsContact C-N 3.34Å; H253-L255 PolarHBondContact O-N 3.39Å; H253-S256 PolarHBondContact O-N 3.38Å; H253-V257 WeakPolarHBondContact O-CG2 3.12Å; H253-V257 PolarHBondContact O-N 3.44Å |
| 254 | E | 93.3 | Very high | 94.1 | Very high | 122 Ų | 122 | 35.3 Ų | 35.3 | 57% | 0.57 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -59.4 | -44.2 | 177.6 | -70.8 | -175.9 | -174 | 0 | 0 | 112 | V250 D251 V257 K258 | V250-E254 PolarHBondContact O-N 3.18Å; D251-E254 PolarHBondContact O-N 2.91Å; E254-V257 PolarHBondContact O-N 3.04Å; E254-K258 WeakPolarHBondContact O-CB 3.13Å; E254-K258 PolarHBondContact O-N 3.2Å |
| 255 | L | 95.2 | Very high | 93.9 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 7% | 0.068 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 174.1 | 175.1 | 68.7 | 0 | 0 | 0 | 112.1 | D251 H253 V257 K258 L259 L286 A291 F292 Y295 | D251-L255 WeakPolarHBondContact O-CB 3.42Å; D251-L255 PolarHBondContact O-N 3.35Å; H253-L255 VanDerWaalsContact C-N 3.34Å; H253-L255 PolarHBondContact O-N 3.39Å; L255-V257 VanDerWaalsContact C-N 3.34Å; L255-V257 PolarHBondContact O-N 2.85Å; L255-K258 PolarHBondContact O-N 3.42Å; L255-L259 WeakPolarHBondContact O-CB 3.3Å; L255-L259 PolarHBondContact O-N 2.89Å; L255-L286 HydrophobicContact CD1-CD1 4.26Å; L255-L286 HydrophobicContact CD1-CD2 4.26Å; L255-A291 HydrophobicContact CD1-CB 3.59Å; L255-A291 VanDerWaalsContact CD2-O 3.27Å; L255-A291 WeakPolarHBondContact CD2-O 3.16Å; L255-F292 HydrophobicContact CD2-CD1 4.23Å; L255-F292 HydrophobicContact CD2-CG 4.45Å; L255-Y295 HydrophobicContact CD2-CD2 4.02Å; L255-Y295 HydrophobicContact CD2-CE2 3.5Å; L255-Y295 VanDerWaalsContact CD2-CE2 3.5Å |
| 256 | S | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.8 | -40.4 | -176.8 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | I212 Y215 I252 H253 L260 Y295 | I212-S256 WeakPolarHBondContact CD1-O 3.27Å; Y215-S256 WeakPolarHBondContact CE1-OG 3.39Å; I252-S256 WeakPolarHBondContact O-CB 3.44Å; I252-S256 PolarHBondContact O-N 3.46Å; I252-S256 PolarHBondContact O-OG 3.17Å; H253-S256 PolarHBondContact O-N 3.38Å; S256-L260 WeakPolarHBondContact O-CB 3.16Å; S256-L260 PolarHBondContact O-N 3.15Å; S256-Y295 PolarHBondContact OG-OH 3.16Å |
| 257 | V | 92.4 | Very high | 93.5 | Very high | 33 Ų | 33 | 35.5 Ų | 35.5 | 20% | 0.2 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.2 | -41.3 | 174.3 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | I216 H253 E254 L255 G261 | I216-V257 HydrophobicContact CD1-CG2 4.08Å; I216-V257 HydrophobicContact CG1-CG2 4.32Å; I216-V257 HydrophobicContact CG2-CG2 4.03Å; H253-V257 WeakPolarHBondContact O-CG2 3.12Å; H253-V257 PolarHBondContact O-N 3.44Å; E254-V257 PolarHBondContact O-N 3.04Å; L255-V257 VanDerWaalsContact C-N 3.34Å; L255-V257 PolarHBondContact O-N 2.85Å; V257-G261 PolarHBondContact O-N 3.08Å |
| 258 | K | 91.4 | Very high | 93.2 | Very high | 102 Ų | 102 | 37.3 Ų | 37.3 | 44% | 0.443 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.7 | -45.7 | 177.1 | -173.2 | -178.9 | 177.8 | -166.4 | 0 | 111.8 | E254 L255 G261 H262 L286 | E254-K258 WeakPolarHBondContact O-CB 3.13Å; E254-K258 PolarHBondContact O-N 3.2Å; L255-K258 PolarHBondContact O-N 3.42Å; K258-G261 PolarHBondContact O-N 2.79Å; K258-H262 PolarHBondContact O-CD2 3.06Å; K258-H262 PolarHBondContact O-N 3.31Å; K258-L286 HydrophobicContact CD-CD2 3.92Å; K258-L286 HydrophobicContact CG-CD2 4.48Å |
| 259 | L | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.4 | -47.2 | 177.4 | 176.7 | 64.2 | 0 | 0 | 0 | 111.5 | F208 I212 L255 G261 H262 I263 F283 L286 Y353 | F208-L259 HydrophobicContact CE1-CD2 4.43Å; F208-L259 HydrophobicContact CZ-CD2 4.32Å; I212-L259 HydrophobicContact CD1-CB 4.38Å; I212-L259 HydrophobicContact CD1-CD2 4.03Å; I212-L259 HydrophobicContact CD1-CG 4.25Å; L255-L259 WeakPolarHBondContact O-CB 3.3Å; L255-L259 PolarHBondContact O-N 2.89Å; L259-G261 VanDerWaalsContact C-N 3.31Å; L259-G261 PolarHBondContact O-N 3.45Å; L259-H262 PolarHBondContact O-N 2.88Å; L259-I263 HydrophobicContact CD1-CD1 3.86Å; L259-I263 HydrophobicContact CD1-CG1 4.26Å; L259-I263 HydrophobicContact CG-CD1 3.93Å; L259-I263 WeakPolarHBondContact O-CG1 3.28Å; L259-I263 PolarHBondContact O-N 3.36Å; L259-I263 VanDerWaalsContact O-N 3.07Å; L259-F283 HydrophobicContact CD1-CD1 4.1Å; L259-F283 HydrophobicContact CD1-CE1 3.92Å; L259-F283 HydrophobicContact CD1-CZ 4.29Å; L259-F283 HydrophobicContact CD2-CE1 4Å; L259-L286 HydrophobicContact CB-CD1 3.81Å; L259-L286 HydrophobicContact CD1-CD1 3.67Å; L259-L286 HydrophobicContact CG-CD1 4.28Å; L259-Y353 HydrophobicContact CD2-CE1 3.52Å; L259-Y353 WeakPolarHBondContact CD2-OH 3.35Å |
| 260 | L | 93.6 | Very high | 92.3 | Very high | 17 Ų | 17 | 35.1 Ų | 35.1 | 9% | 0.089 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.6 | -46.3 | 175.8 | 174.5 | 59 | 0 | 0 | 0 | 111 | I212 R213 I216 S256 I263 E264 | I212-L260 HydrophobicContact CD1-CB 4.14Å; I212-L260 HydrophobicContact CG2-CB 4.2Å; I212-L260 HydrophobicContact CG2-CD1 3.68Å; I212-L260 HydrophobicContact CG2-CD2 4.4Å; I212-L260 HydrophobicContact CG2-CG 4.29Å; R213-L260 HydrophobicContact CG-CD1 4.23Å; R213-L260 HydrophobicContact CG-CD2 3.53Å; I216-L260 HydrophobicContact CD1-CB 4.05Å; I216-L260 HydrophobicContact CD1-CD2 3.64Å; S256-L260 WeakPolarHBondContact O-CB 3.16Å; S256-L260 PolarHBondContact O-N 3.15Å; L260-I263 PolarHBondContact O-N 3.03Å; L260-E264 HydrophobicContact CD1-CG 3.84Å; L260-E264 HydrophobicContact CG-CG 4.32Å; L260-E264 WeakPolarHBondContact O-CB 3.03Å; L260-E264 WeakPolarHBondContact O-CG 3.49Å; L260-E264 PolarHBondContact O-N 3.26Å |
| 261 | G | 90 | Very high | 91.6 | Very high | 21 Ų | 21 | 33.4 Ų | 33.4 | 22% | 0.216 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.9 | -49.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V257 K258 L259 I263 E264 D265 | V257-G261 PolarHBondContact O-N 3.08Å; K258-G261 PolarHBondContact O-N 2.79Å; L259-G261 VanDerWaalsContact C-N 3.31Å; L259-G261 PolarHBondContact O-N 3.45Å; G261-I263 VanDerWaalsContact C-N 3.29Å; G261-I263 PolarHBondContact O-N 3.18Å; G261-E264 PolarHBondContact O-N 3.42Å; G261-D265 WeakPolarHBondContact O-CB 2.94Å; G261-D265 PolarHBondContact O-N 3.24Å |
| 262 | H | 90.9 | Very high | 90.6 | Very high | 47 Ų | 47 | 37.5 Ų | 37.5 | 22% | 0.218 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.8 | -36.6 | 178.3 | -68.9 | -174.6 | 0 | 0 | 0 | 113.2 | K258 L259 T266 C282 | K258-H262 PolarHBondContact O-CD2 3.06Å; K258-H262 PolarHBondContact O-N 3.31Å; L259-H262 PolarHBondContact O-N 2.88Å; H262-T266 WeakPolarHBondContact O-CB 3.41Å; H262-T266 PolarHBondContact O-N 3.34Å; H262-T266 PolarHBondContact O-OG1 3.46Å; H262-C282 HydrophobicContact CB-CB 4.21Å |
| 263 | I | 93.5 | Very high | 89.4 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.5 | -45.4 | 176.7 | -66 | 169.6 | 0 | 0 | 0 | 110.1 | V205 F208 M209 L259 L260 G261 D265 T266 V267 V279 C282 F283 | V205-I263 HydrophobicContact CG1-CG2 4.09Å; F208-I263 HydrophobicContact CD1-CD1 4.02Å; F208-I263 HydrophobicContact CE1-CD1 3.67Å; M209-I263 HydrophobicContact CE-CG2 4.19Å; M209-I263 HydrophobicContact CG-CG2 3.64Å; M209-I263 HydrophobicContact SD-CG2 3.86Å; L259-I263 HydrophobicContact CD1-CD1 3.86Å; L259-I263 HydrophobicContact CD1-CG1 4.26Å; L259-I263 HydrophobicContact CG-CD1 3.93Å; L259-I263 WeakPolarHBondContact O-CG1 3.28Å; L259-I263 PolarHBondContact O-N 3.36Å; L259-I263 VanDerWaalsContact O-N 3.07Å; L260-I263 PolarHBondContact O-N 3.03Å; G261-I263 VanDerWaalsContact C-N 3.29Å; G261-I263 PolarHBondContact O-N 3.18Å; I263-D265 PolarHBondContact O-N 2.85Å; I263-T266 PolarHBondContact O-N 3.37Å; I263-V267 HydrophobicContact CG2-CG2 4.37Å; I263-V267 VanDerWaalsContact O-CG2 3.27Å; I263-V267 WeakPolarHBondContact O-CG2 3.23Å; I263-V267 PolarHBondContact O-N 3.33Å; I263-V279 HydrophobicContact CG2-CG1 4.23Å; I263-C282 HydrophobicContact CG1-CB 4.47Å; I263-F283 HydrophobicContact CD1-CE2 4.39Å; I263-F283 HydrophobicContact CD1-CZ 4.17Å |
| 264 | E | 91.1 | Very high | 88.8 | Confident | 71 Ų | 71 | 41.1 Ų | 41.1 | 33% | 0.332 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.7 | -47.3 | 175.6 | -77 | 179.3 | 155.3 | 0 | 0 | 111.3 | M209 R213 L260 G261 T266 V267 E268 | M209-E264 HydrophobicContact CE-CB 4.21Å; M209-E264 HydrophobicContact CE-CG 3.32Å; R213-E264 IonicContact CZ-OE1 3.56Å; R213-E264 VanDerWaalsContact CZ-OE1 3.25Å; R213-E264 IonicContact NE-OE1 2.7Å; R213-E264 PolarHBondContact NE-OE1 3.03Å; R213-E264 IonicContact NH2-OE1 2.8Å; R213-E264 PolarHBondContact NH2-OE1 3.24Å; L260-E264 HydrophobicContact CD1-CG 3.84Å; L260-E264 HydrophobicContact CG-CG 4.32Å; L260-E264 WeakPolarHBondContact O-CB 3.03Å; L260-E264 WeakPolarHBondContact O-CG 3.49Å; L260-E264 PolarHBondContact O-N 3.26Å; G261-E264 PolarHBondContact O-N 3.42Å; E264-T266 VanDerWaalsContact C-N 3.34Å; E264-T266 PolarHBondContact O-N 3Å; E264-V267 PolarHBondContact O-N 3.46Å; E264-E268 WeakPolarHBondContact O-CB 3.39Å; E264-E268 PolarHBondContact O-N 3.48Å |
| 265 | D | 88.9 | Confident | 88.4 | Confident | 36 Ų | 36 | 39 Ų | 39 | 19% | 0.193 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 176.6 | -66.4 | -20.1 | 0 | 0 | 0 | 111.6 | G261 I263 E268 M269 L687 W729 | G261-D265 WeakPolarHBondContact O-CB 2.94Å; G261-D265 PolarHBondContact O-N 3.24Å; I263-D265 PolarHBondContact O-N 2.85Å; D265-E268 PolarHBondContact O-N 3.38Å; D265-M269 VanDerWaalsContact O-CB 3.3Å; D265-M269 WeakPolarHBondContact O-CB 3.23Å; D265-M269 WeakPolarHBondContact O-CG 3.11Å; D265-M269 PolarHBondContact O-N 3.37Å; D265-L687 HydrophobicContact CB-CD1 4.1Å; D265-L687 HydrophobicContact CB-CD2 3.89Å; D265-W729 HydrophobicContact CB-CH2 4.11Å; D265-W729 HydrophobicContact CB-CZ2 3.9Å |
| 266 | T | 91.1 | Very high | 88.2 | Confident | 10 Ų | 10 | 38.7 Ų | 38.7 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.5 | -41.8 | 179.2 | -62.5 | 0 | 0 | 0 | 0 | 111.6 | H262 I263 E264 E268 M269 T270 P277 V279 C282 | H262-T266 WeakPolarHBondContact O-CB 3.41Å; H262-T266 PolarHBondContact O-N 3.34Å; H262-T266 PolarHBondContact O-OG1 3.46Å; I263-T266 PolarHBondContact O-N 3.37Å; E264-T266 VanDerWaalsContact C-N 3.34Å; E264-T266 PolarHBondContact O-N 3Å; T266-E268 VanDerWaalsContact C-N 3.35Å; T266-M269 PolarHBondContact O-N 3.22Å; T266-T270 PolarHBondContact O-N 2.89Å; T266-T270 PolarHBondContact O-OG1 2.83Å; T266-P277 HydrophobicContact CG2-CB 4.35Å; T266-V279 HydrophobicContact CG2-CG1 4.29Å; T266-C282 PolarHBondContact OG1-SG 3.39Å |
| 267 | V | 91.3 | Very high | 88 | Confident | 36 Ų | 36 | 38.9 Ų | 38.9 | 22% | 0.218 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.8 | -41.8 | 175.7 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | V205 M209 I263 E264 M269 T270 P277 | V205-V267 HydrophobicContact CG1-CG2 4.26Å; M209-V267 HydrophobicContact CE-CG2 4.38Å; M209-V267 HydrophobicContact SD-CG2 4.04Å; I263-V267 HydrophobicContact CG2-CG2 4.37Å; I263-V267 VanDerWaalsContact O-CG2 3.27Å; I263-V267 WeakPolarHBondContact O-CG2 3.23Å; I263-V267 PolarHBondContact O-N 3.33Å; E264-V267 PolarHBondContact O-N 3.46Å; V267-M269 VanDerWaalsContact C-N 3.32Å; V267-M269 PolarHBondContact O-N 2.9Å; V267-T270 PolarHBondContact O-N 3.18Å; V267-P277 HydrophobicContact CB-CG 4.47Å; V267-P277 HydrophobicContact CG2-CB 4.07Å; V267-P277 HydrophobicContact CG2-CG 3.93Å |
| 268 | E | 88.7 | Confident | 88 | Confident | 45 Ų | 45 | 40 Ų | 40 | 21% | 0.21 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.4 | -34.7 | 177.9 | -168.4 | -176.9 | 136.4 | 0 | 0 | 112.9 | E264 D265 T266 T270 A619 R688 N691 | E264-E268 WeakPolarHBondContact O-CB 3.39Å; E264-E268 PolarHBondContact O-N 3.48Å; D265-E268 PolarHBondContact O-N 3.38Å; T266-E268 VanDerWaalsContact C-N 3.35Å; E268-T270 VanDerWaalsContact C-N 3.3Å; E268-A619 HydrophobicContact CG-CB 3.54Å; E268-A619 VanDerWaalsContact OE1-CB 3.25Å; E268-A619 WeakPolarHBondContact OE1-CB 3.46Å; E268-R688 WeakPolarHBondContact OE1-CG 3.46Å; E268-R688 IonicContact OE1-CZ 2.87Å; E268-R688 IonicContact OE1-NE 3.18Å; E268-R688 PolarHBondContact OE1-NE 2.9Å; E268-R688 IonicContact OE1-NH2 3.34Å; E268-R688 PolarHBondContact OE1-NH2 2.69Å; E268-R688 IonicContact OE2-CZ 3Å; E268-R688 IonicContact OE2-NE 2.88Å; E268-R688 IonicContact OE2-NH2 2.76Å; E268-R688 PolarHBondContact OE2-NH2 3.34Å; E268-N691 PolarHBondContact O-ND2 3.01Å |
| 269 | M | 85.1 | Confident | 88.2 | Confident | 9 Ų | 9 | 35.2 Ų | 35.2 | 4% | 0.044 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -0.5 | 178.2 | -70 | -68.7 | -67.5 | 0 | 0 | 114.1 | D265 T266 V267 L687 L690 N691 W729 | D265-M269 VanDerWaalsContact O-CB 3.3Å; D265-M269 WeakPolarHBondContact O-CB 3.23Å; D265-M269 WeakPolarHBondContact O-CG 3.11Å; D265-M269 PolarHBondContact O-N 3.37Å; T266-M269 PolarHBondContact O-N 3.22Å; V267-M269 VanDerWaalsContact C-N 3.32Å; V267-M269 PolarHBondContact O-N 2.9Å; M269-L687 HydrophobicContact CG-CD1 3.96Å; M269-L687 HydrophobicContact CG-CD2 3.94Å; M269-L687 HydrophobicContact CG-CG 3.88Å; M269-L687 HydrophobicContact SD-CD1 4.25Å; M269-L687 HydrophobicContact SD-CD2 4.25Å; M269-L687 HydrophobicContact SD-CG 3.79Å; M269-L690 HydrophobicContact CE-CB 4.47Å; M269-N691 HydrophobicContact CE-CB 4.07Å; M269-N691 HydrophobicContact SD-CB 3.37Å; M269-N691 WeakPolarHBondContact SD-CB 3.22Å; M269-N691 VanDerWaalsContact SD-CG 3.52Å; M269-W729 HydrophobicContact CE-CB 4.44Å; M269-W729 HydrophobicContact CE-CG 4.02Å |
| 270 | T | 86.5 | Confident | 88.2 | Confident | 40 Ų | 40 | 35.2 Ų | 35.2 | 25% | 0.245 | 21% | 0.21 | C | C | . | . | trans | -86.8 | 114.8 | -179.1 | -60.1 | 0 | 0 | 0 | 0 | 110.2 | T266 V267 E268 P277 | T266-T270 PolarHBondContact O-N 2.89Å; T266-T270 PolarHBondContact O-OG1 2.83Å; V267-T270 PolarHBondContact O-N 3.18Å; E268-T270 VanDerWaalsContact C-N 3.3Å; T270-P277 HydrophobicContact CG2-CB 4.41Å; T270-P277 HydrophobicContact CG2-CG 4.2Å; T270-P277 WeakPolarHBondContact OG1-CA 3.5Å; T270-P277 WeakPolarHBondContact OG1-CB 3.43Å | ||
| 271 | D | 79.9 | Confident | 88.1 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | trans | -72.4 | 158.4 | 177.5 | -65.2 | 27.6 | 0 | 0 | 0 | 111.8 | G273 S274 R694 H695 H699 | D271-G273 PolarHBondContact O-N 3.5Å; D271-S274 PolarHBondContact O-N 2.95Å; D271-S274 VanDerWaalsContact O-N 3.08Å; D271-R694 IonicContact OD1-CZ 3.74Å; D271-R694 IonicContact OD1-NH1 2.73Å; D271-R694 PolarHBondContact OD1-NH1 3.29Å; D271-R694 IonicContact OD2-CZ 2.75Å; D271-R694 IonicContact OD2-NH1 2.61Å; D271-R694 PolarHBondContact OD2-NH1 3.14Å; D271-H695 VanDerWaalsContact CG-NE2 3.28Å; D271-H695 IonicContact OD1-CE1 3.71Å; D271-H695 PolarHBondContact OD1-CE1 2.99Å; D271-H695 IonicContact OD1-ND1 2.99Å; D271-H695 IonicContact OD1-NE2 3.85Å; D271-H695 PolarHBondContact OD1-NE2 3.48Å; D271-H695 IonicContact OD2-CD2 3.7Å; D271-H695 IonicContact OD2-CE1 3.71Å; D271-H695 PolarHBondContact OD2-CE1 3.26Å; D271-H695 IonicContact OD2-CG 2.72Å; D271-H695 IonicContact OD2-ND1 3.75Å; D271-H695 IonicContact OD2-NE2 3.41Å; D271-H695 PolarHBondContact OD2-NE2 3.27Å; D271-H699 IonicContact OD2-NE2 3.36Å | ||
| 272 | E | 75.4 | Confident | 88.3 | Confident | 141 Ų | 141 | 34.4 Ų | 34.4 | 66% | 0.659 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -15.3 | 177.8 | -64.7 | -179.7 | 148.1 | 0 | 0 | 113.8 | R625 | E272-R625 IonicContact OE1-CZ 2.91Å; E272-R625 IonicContact OE1-NH2 3.69Å; E272-R625 PolarHBondContact OE1-NH2 2.93Å; E272-R625 IonicContact OE2-CZ 3.86Å; E272-R625 IonicContact OE2-NE 2.73Å; E272-R625 PolarHBondContact OE2-NE 3.09Å; E272-R625 IonicContact OE2-NH2 3.48Å; E272-R625 PolarHBondContact OE2-NH2 3.13Å |
| 273 | G | 72.6 | Confident | 88.5 | Confident | 70 Ų | 70 | 32.3 Ų | 32.3 | 72% | 0.722 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -10.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | D271 | D271-G273 PolarHBondContact O-N 3.5Š|
| 274 | S | 83.1 | Confident | 88.6 | Confident | 41 Ų | 41 | 33.9 Ų | 33.9 | 29% | 0.287 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -87.2 | 143 | 177.1 | -66.4 | 0 | 0 | 0 | 0 | 111.2 | D271 H276 | D271-S274 PolarHBondContact O-N 2.95Å; D271-S274 VanDerWaalsContact O-N 3.08Å; S274-H276 VanDerWaalsContact C-N 3.3Å; S274-H276 PolarHBondContact O-N 2.85Å |
| 275 | P | 85.2 | Confident | 88.6 | Confident | 78 Ų | 78 | 33.8 Ų | 33.8 | 51% | 0.506 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -65.2 | -36.3 | -179.3 | 26.1 | -33.7 | 0 | 0 | 0 | 112.1 | E365 | P275-E365 HydrophobicContact CB-CB 4.21Å; P275-E365 WeakPolarHBondContact CB-OE2 3.35Å; P275-E365 HydrophobicContact CG-CB 4.15Å |
| 276 | H | 90.5 | Very high | 88.8 | Confident | 7 Ų | 7 | 32.1 Ų | 32.1 | 3% | 0.032 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -160.7 | 166.8 | 175.4 | 56.1 | 79.6 | 0 | 0 | 0 | 109.9 | Y201 S274 E365 D369 | Y201-H276 HydrophobicContact CD1-CB 3.8Å; Y201-H276 AromaticContact CD1-CG 3.55Å; Y201-H276 AromaticContact CD1-ND1 3.4Å; Y201-H276 WeakPolarHBondContact CD1-ND1 3.06Å; Y201-H276 HydrophobicContact CE1-CB 4.33Å; Y201-H276 AromaticContact CE1-CE1 3.88Å; Y201-H276 AromaticContact CE1-CG 3.92Å; Y201-H276 AromaticContact CE1-ND1 3.27Å; Y201-H276 VanDerWaalsContact CE1-ND1 3.27Å; Y201-H276 WeakPolarHBondContact CE1-ND1 3.32Å; Y201-H276 AromaticContact CE2-CE1 3.88Å; Y201-H276 HydrophobicContact CG-CB 4.45Å; Y201-H276 AromaticContact CG-CG 3.95Å; Y201-H276 AromaticContact CG-ND1 3.91Å; Y201-H276 AromaticContact CZ-CE1 3.76Å; Y201-H276 AromaticContact CZ-ND1 3.62Å; S274-H276 VanDerWaalsContact C-N 3.3Å; S274-H276 PolarHBondContact O-N 2.85Å; H276-E365 PolarHBondContact NE2-N 3.19Å; H276-D369 IonicContact CE1-OD2 2.85Å |
| 277 | P | 92 | Very high | 88.9 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | trans | -62.8 | 139.6 | 172 | -21.3 | 33.7 | 0 | 0 | 0 | 111.9 | Y201 Y202 T266 V267 T270 V279 | Y201-P277 VanDerWaalsContact CE1-O 3.28Å; Y201-P277 WeakPolarHBondContact CE1-O 3.33Å; Y202-P277 HydrophobicContact CD2-CG 3.96Å; Y202-P277 HydrophobicContact CE2-CG 3.91Å; T266-P277 HydrophobicContact CG2-CB 4.35Å; V267-P277 HydrophobicContact CB-CG 4.47Å; V267-P277 HydrophobicContact CG2-CB 4.07Å; V267-P277 HydrophobicContact CG2-CG 3.93Å; T270-P277 HydrophobicContact CG2-CB 4.41Å; T270-P277 HydrophobicContact CG2-CG 4.2Å; T270-P277 WeakPolarHBondContact OG1-CA 3.5Å; T270-P277 WeakPolarHBondContact OG1-CB 3.43Å; P277-V279 HydrophobicContact CB-CG1 4.23Å; P277-V279 PolarHBondContact O-N 2.9Å | ||
| 278 | L | 92.9 | Very high | 88.9 | Confident | 56 Ų | 56 | 36.8 Ų | 36.8 | 29% | 0.293 | 21% | 0.212 | S | C | . | . | trans | -91.1 | 76 | -178.8 | -49.3 | -176.4 | 0 | 0 | 0 | 110.7 | G280 D366 D369 | L278-G280 VanDerWaalsContact C-N 3.35Å; L278-D366 HydrophobicContact CD2-CB 3.69Å; L278-D369 VanDerWaalsContact C-OD1 3.24Å; L278-D369 WeakPolarHBondContact CA-OD1 3.48Å; L278-D369 HydrophobicContact CB-CB 4.28Å; L278-D369 HydrophobicContact CD2-CB 3.99Å | ||
| 279 | V | 95.2 | Very high | 89 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | trans | -82.2 | -9.5 | -174 | -61.6 | 0 | 0 | 0 | 0 | 113.7 | Y201 V205 I263 T266 P277 S281 C282 F283 L360 D369 | Y201-V279 HydrophobicContact CE1-CG2 4.08Å; Y201-V279 VanDerWaalsContact OH-CG2 3.23Å; Y201-V279 WeakPolarHBondContact OH-CG2 3.36Å; V205-V279 HydrophobicContact CG1-CG1 4.23Å; V205-V279 HydrophobicContact CG2-CG1 4.39Å; V205-V279 HydrophobicContact CG2-CG2 3.95Å; I263-V279 HydrophobicContact CG2-CG1 4.23Å; T266-V279 HydrophobicContact CG2-CG1 4.29Å; P277-V279 HydrophobicContact CB-CG1 4.23Å; P277-V279 PolarHBondContact O-N 2.9Å; V279-S281 VanDerWaalsContact C-N 3.31Å; V279-S281 PolarHBondContact O-N 3.07Å; V279-C282 VanDerWaalsContact O-CB 3.23Å; V279-C282 WeakPolarHBondContact O-CB 3.37Å; V279-C282 PolarHBondContact O-N 3.12Å; V279-F283 HydrophobicContact CG2-CE2 4.34Å; V279-F283 WeakPolarHBondContact O-CD2 3.5Å; V279-L360 HydrophobicContact CG2-CD1 4.22Å; V279-D369 PolarHBondContact N-OD1 3Å | ||
| 280 | G | 95 | Very high | 89.4 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.7 | -43.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L278 C282 F283 E284 D369 C372 | L278-G280 VanDerWaalsContact C-N 3.35Å; G280-C282 VanDerWaalsContact C-N 3.27Å; G280-C282 PolarHBondContact O-N 3.36Å; G280-F283 PolarHBondContact O-N 3.44Å; G280-F283 VanDerWaalsContact O-N 3.17Å; G280-E284 PolarHBondContact O-N 3.22Å; G280-D369 WeakPolarHBondContact CA-OD1 3.37Å; G280-D369 PolarHBondContact N-OD1 3.39Å; G280-C372 VanDerWaalsContact C-CB 3.43Å |
| 281 | S | 92.2 | Very high | 89.7 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.9 | -27.9 | 176.5 | 41.3 | 0 | 0 | 0 | 0 | 113.3 | V279 F283 E284 D285 K728 | V279-S281 VanDerWaalsContact C-N 3.31Å; V279-S281 PolarHBondContact O-N 3.07Å; S281-F283 VanDerWaalsContact C-N 3.27Å; S281-F283 PolarHBondContact O-N 3.32Å; S281-E284 PolarHBondContact O-N 3.48Å; S281-D285 VanDerWaalsContact O-CG 3.26Å; S281-D285 PolarHBondContact O-N 3.05Å; S281-K728 WeakPolarHBondContact OG-CE 3.21Å; S281-K728 PolarHBondContact OG-NZ 2.7Å |
| 282 | C | 93.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.02 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.5 | -35.2 | 175.2 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | H262 I263 T266 V279 G280 | H262-C282 HydrophobicContact CB-CB 4.21Å; I263-C282 HydrophobicContact CG1-CB 4.47Å; T266-C282 PolarHBondContact OG1-SG 3.39Å; V279-C282 VanDerWaalsContact O-CB 3.23Å; V279-C282 WeakPolarHBondContact O-CB 3.37Å; V279-C282 PolarHBondContact O-N 3.12Å; G280-C282 VanDerWaalsContact C-N 3.27Å; G280-C282 PolarHBondContact O-N 3.36Å |
| 283 | F | 95.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -80.9 | -39.1 | 176.9 | -70.4 | -82.4 | 0 | 0 | 0 | 112 | F208 L259 I263 V279 G280 S281 L286 A287 F292 Y353 L357 L360 A376 | F208-F283 HydrophobicContact CE1-CZ 4.3Å; L259-F283 HydrophobicContact CD1-CD1 4.1Å; L259-F283 HydrophobicContact CD1-CE1 3.92Å; L259-F283 HydrophobicContact CD1-CZ 4.29Å; L259-F283 HydrophobicContact CD2-CE1 4Å; I263-F283 HydrophobicContact CD1-CE2 4.39Å; I263-F283 HydrophobicContact CD1-CZ 4.17Å; V279-F283 HydrophobicContact CG2-CE2 4.34Å; V279-F283 WeakPolarHBondContact O-CD2 3.5Å; G280-F283 PolarHBondContact O-N 3.44Å; G280-F283 VanDerWaalsContact O-N 3.17Å; S281-F283 VanDerWaalsContact C-N 3.27Å; S281-F283 PolarHBondContact O-N 3.32Å; F283-L286 PolarHBondContact O-N 3.22Å; F283-A287 VanDerWaalsContact O-CB 3.22Å; F283-A287 WeakPolarHBondContact O-CB 3.39Å; F283-A287 PolarHBondContact O-N 2.7Å; F283-F292 HydrophobicContact CD1-CZ 4.49Å; F283-Y353 HydrophobicContact CE1-CD1 4.06Å; F283-Y353 HydrophobicContact CE1-CE1 4.19Å; F283-L357 HydrophobicContact CB-CD2 3.99Å; F283-L357 HydrophobicContact CD1-CD2 3.73Å; F283-L357 HydrophobicContact CD2-CD2 3.77Å; F283-L357 HydrophobicContact CE1-CD2 4.07Å; F283-L357 HydrophobicContact CE2-CD2 4.12Å; F283-L357 HydrophobicContact CG-CD2 3.57Å; F283-L357 HydrophobicContact CZ-CD2 4.26Å; F283-L360 HydrophobicContact CE2-CD1 4.25Å; F283-A376 HydrophobicContact CB-CB 3.84Å |
| 284 | E | 94.5 | Very high | 92.5 | Very high | 35 Ų | 35 | 38.6 Ų | 38.6 | 16% | 0.164 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55 | -53.9 | 175.4 | -177.2 | -173.7 | -153.5 | 0 | 0 | 111.2 | G280 S281 L286 A287 E288 C372 Q375 | G280-E284 PolarHBondContact O-N 3.22Å; S281-E284 PolarHBondContact O-N 3.48Å; E284-L286 VanDerWaalsContact C-N 3.27Å; E284-L286 PolarHBondContact O-N 3.41Å; E284-A287 PolarHBondContact O-N 2.88Å; E284-A287 VanDerWaalsContact O-N 3.11Å; E284-E288 WeakPolarHBondContact O-CB 3.18Å; E284-E288 PolarHBondContact O-N 3.06Å; E284-C372 HydrophobicContact CB-CB 4.29Å; E284-C372 WeakPolarHBondContact OE2-CB 3.45Å; E284-C372 PolarHBondContact OE2-SG 2.61Å; E284-Q375 HydrophobicContact CG-CB 4.23Å; E284-Q375 PolarHBondContact OE1-NE2 2.85Å; E284-Q375 PolarHBondContact OE1-OE1 3.2Å |
| 285 | D | 90.8 | Very high | 93.2 | Very high | 70 Ų | 70 | 36.7 Ų | 36.7 | 37% | 0.374 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -55.4 | -41.7 | -179 | -71.8 | -20.9 | 0 | 0 | 0 | 112.3 | S281 E289 | S281-D285 VanDerWaalsContact O-CG 3.26Å; S281-D285 PolarHBondContact O-N 3.05Å; D285-E289 VanDerWaalsContact O-CG 3.23Å; D285-E289 WeakPolarHBondContact O-CG 3.43Å; D285-E289 PolarHBondContact O-N 2.93Å |
| 286 | L | 93.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -79.1 | -30.7 | -178.5 | -67.7 | 176.3 | 0 | 0 | 0 | 112.5 | L255 K258 L259 F283 E284 A291 F292 | L255-L286 HydrophobicContact CD1-CD1 4.26Å; L255-L286 HydrophobicContact CD1-CD2 4.26Å; K258-L286 HydrophobicContact CD-CD2 3.92Å; K258-L286 HydrophobicContact CG-CD2 4.48Å; L259-L286 HydrophobicContact CB-CD1 3.81Å; L259-L286 HydrophobicContact CD1-CD1 3.67Å; L259-L286 HydrophobicContact CG-CD1 4.28Å; F283-L286 PolarHBondContact O-N 3.22Å; E284-L286 VanDerWaalsContact C-N 3.27Å; E284-L286 PolarHBondContact O-N 3.41Å; L286-A291 HydrophobicContact CB-CB 4.29Å; L286-A291 HydrophobicContact CD2-CB 4.24Å; L286-A291 WeakPolarHBondContact O-CB 3.37Å; L286-A291 PolarHBondContact O-N 2.8Å; L286-F292 HydrophobicContact CB-CD2 4.47Å; L286-F292 HydrophobicContact CB-CE2 3.72Å |
| 287 | A | 93.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -73.8 | -39.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F283 E284 L290 A376 A379 L380 | F283-A287 VanDerWaalsContact O-CB 3.22Å; F283-A287 WeakPolarHBondContact O-CB 3.39Å; F283-A287 PolarHBondContact O-N 2.7Å; E284-A287 PolarHBondContact O-N 2.88Å; E284-A287 VanDerWaalsContact O-N 3.11Å; A287-L290 PolarHBondContact O-N 2.98Å; A287-L290 VanDerWaalsContact O-N 3.09Å; A287-A376 HydrophobicContact CB-CB 4.36Å; A287-A379 HydrophobicContact CB-CB 3.81Å; A287-L380 HydrophobicContact CB-CD1 4.44Å; A287-L380 HydrophobicContact CB-CD2 4.21Å; A287-L380 HydrophobicContact CB-CG 3.96Å |
| 288 | E | 91.1 | Very high | 94.1 | Very high | 142 Ų | 142 | 36.9 Ų | 36.9 | 66% | 0.664 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -64.1 | -40 | 176.7 | -171.9 | 179.4 | -175.1 | 0 | 0 | 111.8 | E284 L290 | E284-E288 WeakPolarHBondContact O-CB 3.18Å; E284-E288 PolarHBondContact O-N 3.06Å; E288-L290 PolarHBondContact O-N 3.37Å; E288-L290 VanDerWaalsContact O-N 3.16Å |
| 289 | E | 90.8 | Very high | 94.2 | Very high | 130 Ų | 130 | 34.2 Ų | 34.2 | 61% | 0.607 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 7.3 | 175.2 | -64.2 | -79.4 | -177.3 | 0 | 0 | 113 | D285 A291 | D285-E289 VanDerWaalsContact O-CG 3.23Å; D285-E289 WeakPolarHBondContact O-CG 3.43Å; D285-E289 PolarHBondContact O-N 2.93Å; E289-A291 PolarHBondContact O-N 3.06Å; E289-A291 VanDerWaalsContact O-N 3.1Å |
| 290 | L | 92.3 | Very high | 94.2 | Very high | 99 Ų | 99 | 39.3 Ų | 39.3 | 52% | 0.518 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 31.5 | -177.2 | -57.5 | 177.5 | 0 | 0 | 0 | 113.1 | A287 E288 F292 D293 | A287-L290 PolarHBondContact O-N 2.98Å; A287-L290 VanDerWaalsContact O-N 3.09Å; E288-L290 PolarHBondContact O-N 3.37Å; E288-L290 VanDerWaalsContact O-N 3.16Å; L290-F292 PolarHBondContact O-N 2.9Å; L290-F292 VanDerWaalsContact O-N 3.07Å; L290-D293 WeakPolarHBondContact O-CB 3.22Å; L290-D293 PolarHBondContact O-N 3.43Å; L290-D293 VanDerWaalsContact O-N 3.12Å |
| 291 | A | 93.3 | Very high | 94.2 | Very high | 25 Ų | 25 | 42.4 Ų | 42.4 | 21% | 0.207 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -14.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L255 L286 E289 P294 | L255-A291 HydrophobicContact CD1-CB 3.59Å; L255-A291 VanDerWaalsContact CD2-O 3.27Å; L255-A291 WeakPolarHBondContact CD2-O 3.16Å; L286-A291 HydrophobicContact CB-CB 4.29Å; L286-A291 HydrophobicContact CD2-CB 4.24Å; L286-A291 WeakPolarHBondContact O-CB 3.37Å; L286-A291 PolarHBondContact O-N 2.8Å; E289-A291 PolarHBondContact O-N 3.06Å; E289-A291 VanDerWaalsContact O-N 3.1Å; A291-P294 VanDerWaalsContact O-CD 3.23Å; A291-P294 WeakPolarHBondContact O-CD 3.28Å |
| 292 | F | 95.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -9.2 | 177.8 | -67.8 | -97.2 | 0 | 0 | 0 | 114.1 | L255 F283 L286 L290 P294 Y295 Y353 L380 | L255-F292 HydrophobicContact CD2-CD1 4.23Å; L255-F292 HydrophobicContact CD2-CG 4.45Å; F283-F292 HydrophobicContact CD1-CZ 4.49Å; L286-F292 HydrophobicContact CB-CD2 4.47Å; L286-F292 HydrophobicContact CB-CE2 3.72Å; L290-F292 PolarHBondContact O-N 2.9Å; L290-F292 VanDerWaalsContact O-N 3.07Å; F292-P294 VanDerWaalsContact C-N 3.31Å; F292-Y295 HydrophobicContact CD1-CD2 4.15Å; F292-Y295 HydrophobicContact CD1-CE2 4.16Å; F292-Y295 WeakPolarHBondContact O-CB 3.4Å; F292-Y295 PolarHBondContact O-N 3Å; F292-Y353 HydrophobicContact CD1-CD2 4.43Å; F292-Y353 AromaticContact CE1-CD2 3.92Å; F292-Y353 HydrophobicContact CE1-CD2 3.92Å; F292-Y353 HydrophobicContact CE1-CE2 4.03Å; F292-Y353 HydrophobicContact CE1-CG 4.36Å; F292-L380 HydrophobicContact CB-CD2 3.65Å; F292-L380 HydrophobicContact CD1-CD2 4.38Å; F292-L380 HydrophobicContact CD2-CD2 3.6Å; F292-L380 HydrophobicContact CE2-CD2 4.3Å; F292-L380 HydrophobicContact CG-CD2 3.63Å |
| 293 | D | 95.3 | Very high | 94.2 | Very high | 66 Ų | 66 | 42 Ų | 42 | 35% | 0.353 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -53 | -35.5 | 176.8 | -77.8 | 10.6 | 0 | 0 | 0 | 114.8 | L290 Y295 E296 S297 | L290-D293 WeakPolarHBondContact O-CB 3.22Å; L290-D293 PolarHBondContact O-N 3.43Å; L290-D293 VanDerWaalsContact O-N 3.12Å; D293-Y295 PolarHBondContact O-N 2.87Å; D293-E296 PolarHBondContact O-N 3.24Å; D293-E296 VanDerWaalsContact O-N 3.1Å; D293-S297 PolarHBondContact O-N 3.13Å |
| 294 | P | 96.3 | Very high | 94.1 | Very high | 30 Ų | 30 | 47.7 Ų | 47.7 | 20% | 0.195 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.3 | -30.6 | 173.9 | -28.3 | 37.2 | 0 | 0 | 0 | 113.8 | R248 D251 I252 A291 F292 S297 Y298 | R248-P294 HydrophobicContact CB-CB 4.37Å; D251-P294 HydrophobicContact CB-CB 4.08Å; D251-P294 HydrophobicContact CB-CG 4.18Å; I252-P294 HydrophobicContact CG1-CB 4.23Å; A291-P294 VanDerWaalsContact O-CD 3.23Å; A291-P294 WeakPolarHBondContact O-CD 3.28Å; F292-P294 VanDerWaalsContact C-N 3.31Å; P294-S297 PolarHBondContact O-N 2.91Å; P294-Y298 WeakPolarHBondContact O-CB 3.37Å; P294-Y298 PolarHBondContact O-N 3.42Å |
| 295 | Y | 96.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 176.4 | -79.2 | -78 | 0 | 0 | 0 | 112.7 | Y215 I252 L255 S256 F292 D293 A299 P346 C350 Y353 | Y215-Y295 PolarHBondContact OH-OH 3.33Å; I252-Y295 HydrophobicContact CD1-CD1 3.9Å; I252-Y295 HydrophobicContact CD1-CE1 4.15Å; I252-Y295 HydrophobicContact CD1-CG 4.39Å; I252-Y295 HydrophobicContact CG1-CD1 4.24Å; I252-Y295 HydrophobicContact CG1-CE1 4.26Å; I252-Y295 HydrophobicContact CG1-CG 4.43Å; I252-Y295 HydrophobicContact CG2-CD1 4.46Å; I252-Y295 HydrophobicContact CG2-CE1 3.68Å; L255-Y295 HydrophobicContact CD2-CD2 4.02Å; L255-Y295 HydrophobicContact CD2-CE2 3.5Å; L255-Y295 VanDerWaalsContact CD2-CE2 3.5Å; S256-Y295 PolarHBondContact OG-OH 3.16Å; F292-Y295 HydrophobicContact CD1-CD2 4.15Å; F292-Y295 HydrophobicContact CD1-CE2 4.16Å; F292-Y295 WeakPolarHBondContact O-CB 3.4Å; F292-Y295 PolarHBondContact O-N 3Å; D293-Y295 PolarHBondContact O-N 2.87Å; Y295-A299 VanDerWaalsContact O-CB 3.24Å; Y295-A299 WeakPolarHBondContact O-CB 3.42Å; Y295-A299 PolarHBondContact O-N 2.93Å; Y295-P346 HydrophobicContact CD1-CB 4.24Å; Y295-P346 WeakPolarHBondContact CD1-O 3.42Å; Y295-P346 HydrophobicContact CE1-CB 3.96Å; Y295-P346 WeakPolarHBondContact CE1-O 3.42Å; Y295-C350 HydrophobicContact CD1-CB 3.55Å; Y295-C350 HydrophobicContact CD2-CB 4.46Å; Y295-C350 HydrophobicContact CE1-CB 3.93Å; Y295-C350 HydrophobicContact CG-CB 3.85Å; Y295-Y353 HydrophobicContact CE2-CE2 4.35Å |
| 296 | E | 95.5 | Very high | 93.8 | Very high | 48 Ų | 48 | 48.6 Ų | 48.6 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 178.4 | -160.3 | -156.1 | 150.6 | 0 | 0 | 110.7 | D293 A299 R300 V383 M387 I390 | D293-E296 PolarHBondContact O-N 3.24Å; D293-E296 VanDerWaalsContact O-N 3.1Å; E296-A299 PolarHBondContact O-N 3.47Å; E296-R300 WeakPolarHBondContact O-CB 3.37Å; E296-R300 PolarHBondContact O-N 3.4Å; E296-R300 IonicContact OE1-CZ 2.64Å; E296-R300 IonicContact OE1-NH2 3.89Å; E296-R300 PolarHBondContact OE1-NH2 3.49Å; E296-R300 IonicContact OE2-NH2 3.83Å; E296-V383 HydrophobicContact CB-CG1 4.41Å; E296-M387 HydrophobicContact CG-CG 4.35Å; E296-I390 HydrophobicContact CG-CD1 4.13Å |
| 297 | S | 95.1 | Very high | 93.7 | Very high | 43 Ų | 43 | 49 Ų | 49 | 30% | 0.301 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 176.8 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | D293 P294 R300 D301 | D293-S297 PolarHBondContact O-N 3.13Å; P294-S297 PolarHBondContact O-N 2.91Å; S297-R300 WeakPolarHBondContact O-CB 3.32Å; S297-R300 PolarHBondContact O-N 3.34Å; S297-D301 PolarHBondContact O-N 3.37Å; S297-D301 VanDerWaalsContact O-N 3.09Å |
| 298 | Y | 96.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.8 | -48.5 | 175.2 | -177.7 | -88.8 | 0 | 0 | 0 | 112.2 | F246 I249 I252 P294 R300 D301 I302 L343 P346 | F246-Y298 WeakPolarHBondContact O-CE2 3.04Å; I249-Y298 HydrophobicContact CB-CE2 4.14Å; I249-Y298 HydrophobicContact CD1-CE2 3.79Å; I252-Y298 HydrophobicContact CD1-CD1 3.98Å; I252-Y298 HydrophobicContact CD1-CD2 3.75Å; I252-Y298 HydrophobicContact CD1-CE2 4.44Å; I252-Y298 HydrophobicContact CD1-CG 3.49Å; I252-Y298 VanDerWaalsContact CD1-CG 3.49Å; P294-Y298 WeakPolarHBondContact O-CB 3.37Å; P294-Y298 PolarHBondContact O-N 3.42Å; Y298-R300 VanDerWaalsContact C-N 3.25Å; Y298-R300 PolarHBondContact O-N 2.95Å; Y298-D301 PolarHBondContact O-N 3.27Å; Y298-D301 VanDerWaalsContact O-N 3.16Å; Y298-I302 HydrophobicContact CD1-CG1 3.96Å; Y298-I302 HydrophobicContact CD2-CG1 4.27Å; Y298-I302 HydrophobicContact CE1-CB 4.41Å; Y298-I302 HydrophobicContact CE1-CG1 3.57Å; Y298-I302 HydrophobicContact CE2-CD1 4.23Å; Y298-I302 HydrophobicContact CE2-CG1 3.92Å; Y298-I302 HydrophobicContact CG-CG1 4.29Å; Y298-I302 WeakPolarHBondContact O-CG1 3.44Å; Y298-I302 PolarHBondContact O-N 2.7Å; Y298-L343 VanDerWaalsContact CE1-O 3.22Å; Y298-L343 WeakPolarHBondContact CE1-O 3.37Å; Y298-L343 VanDerWaalsContact OH-CA 3.3Å; Y298-L343 WeakPolarHBondContact OH-CA 3.48Å; Y298-L343 WeakPolarHBondContact OH-CD2 3.48Å; Y298-L343 PolarHBondContact OH-O 3.38Å; Y298-P346 HydrophobicContact CD1-CB 3.94Å; Y298-P346 HydrophobicContact CD1-CG 4.39Å; Y298-P346 HydrophobicContact CE1-CB 3.62Å; Y298-P346 HydrophobicContact CE1-CG 3.63Å |
| 299 | A | 95 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.2 | -38.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y295 E296 L303 V347 M387 | Y295-A299 VanDerWaalsContact O-CB 3.24Å; Y295-A299 WeakPolarHBondContact O-CB 3.42Å; Y295-A299 PolarHBondContact O-N 2.93Å; E296-A299 PolarHBondContact O-N 3.47Å; A299-L303 WeakPolarHBondContact O-CB 3.2Å; A299-L303 WeakPolarHBondContact O-CG 3.27Å; A299-L303 PolarHBondContact O-N 2.87Å; A299-V347 HydrophobicContact CB-CG2 4.27Å; A299-M387 HydrophobicContact CB-CE 3.99Å |
| 300 | R | 95 | Very high | 93.3 | Very high | 110 Ų | 110 | 48.9 Ų | 48.9 | 42% | 0.415 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 177.1 | -167.1 | -177 | -56.6 | 115.7 | -1.4 | 112.6 | E296 S297 Y298 R304 I390 | E296-R300 WeakPolarHBondContact O-CB 3.37Å; E296-R300 PolarHBondContact O-N 3.4Å; E296-R300 IonicContact OE1-CZ 2.64Å; E296-R300 IonicContact OE1-NH2 3.89Å; E296-R300 PolarHBondContact OE1-NH2 3.49Å; E296-R300 IonicContact OE2-NH2 3.83Å; S297-R300 WeakPolarHBondContact O-CB 3.32Å; S297-R300 PolarHBondContact O-N 3.34Å; Y298-R300 VanDerWaalsContact C-N 3.25Å; Y298-R300 PolarHBondContact O-N 2.95Å; R300-R304 PolarHBondContact O-N 2.76Å; R300-I390 HydrophobicContact CB-CD1 4.08Å |
| 301 | D | 94.6 | Very high | 93.4 | Very high | 64 Ų | 64 | 44.3 Ų | 44.3 | 34% | 0.342 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -74.6 | -47.1 | -178.4 | -68.9 | -20.8 | 0 | 0 | 0 | 112 | S247 S297 Y298 R304 | S247-D301 PolarHBondContact OG-OD2 3.46Å; S297-D301 PolarHBondContact O-N 3.37Å; S297-D301 VanDerWaalsContact O-N 3.09Å; Y298-D301 PolarHBondContact O-N 3.27Å; Y298-D301 VanDerWaalsContact O-N 3.16Å; D301-R304 VanDerWaalsContact O-CB 3.3Å; D301-R304 WeakPolarHBondContact O-CB 3.47Å; D301-R304 PolarHBondContact O-N 3.1Å |
| 302 | I | 93.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -71.3 | -35.6 | -177.5 | -60.1 | -54.2 | 0 | 0 | 0 | 112.3 | Y298 R304 F307 L343 L344 R399 | Y298-I302 HydrophobicContact CD1-CG1 3.96Å; Y298-I302 HydrophobicContact CD2-CG1 4.27Å; Y298-I302 HydrophobicContact CE1-CB 4.41Å; Y298-I302 HydrophobicContact CE1-CG1 3.57Å; Y298-I302 HydrophobicContact CE2-CD1 4.23Å; Y298-I302 HydrophobicContact CE2-CG1 3.92Å; Y298-I302 HydrophobicContact CG-CG1 4.29Å; Y298-I302 WeakPolarHBondContact O-CG1 3.44Å; Y298-I302 PolarHBondContact O-N 2.7Å; I302-R304 VanDerWaalsContact C-N 3.31Å; I302-F307 HydrophobicContact CD1-CD2 4.35Å; I302-F307 HydrophobicContact CD1-CE2 3.62Å; I302-F307 HydrophobicContact CD1-CZ 3.91Å; I302-F307 WeakPolarHBondContact O-CG 3.37Å; I302-L343 HydrophobicContact CD1-CB 4.37Å; I302-L343 HydrophobicContact CD1-CD1 4.35Å; I302-L343 HydrophobicContact CG2-CB 4.32Å; I302-L344 HydrophobicContact CG2-CD2 3.85Å; I302-R399 PolarHBondContact O-NH1 3.01Å |
| 303 | L | 93.3 | Very high | 93.1 | Very high | 13 Ų | 13 | 49 Ų | 49 | 7% | 0.068 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 10.6 | 179.1 | -59 | 171.1 | 0 | 0 | 0 | 113 | A299 L344 V347 I390 A396 | A299-L303 WeakPolarHBondContact O-CB 3.2Å; A299-L303 WeakPolarHBondContact O-CG 3.27Å; A299-L303 PolarHBondContact O-N 2.87Å; L303-L344 HydrophobicContact CD2-CD2 3.77Å; L303-V347 HydrophobicContact CD1-CG1 4.25Å; L303-V347 HydrophobicContact CD1-CG2 4.43Å; L303-I390 HydrophobicContact CB-CG2 4.11Å; L303-I390 HydrophobicContact CD1-CG2 3.82Å; L303-A396 HydrophobicContact CB-CB 4.09Å; L303-A396 HydrophobicContact CD1-CB 4.17Å; L303-A396 HydrophobicContact CD2-CB 4.18Å; L303-A396 HydrophobicContact CG-CB 4.38Å |
| 304 | R | 92.4 | Very high | 92.9 | Very high | 121 Ų | 121 | 47.4 Ų | 47.4 | 46% | 0.457 | 24% | 0.244 | S | C | . | . | trans | -63 | 137.2 | 173.6 | -169.4 | 175.5 | -179.2 | 166.5 | 4.1 | 110.1 | R300 D301 I302 G306 F307 | R300-R304 PolarHBondContact O-N 2.76Å; D301-R304 VanDerWaalsContact O-CB 3.3Å; D301-R304 WeakPolarHBondContact O-CB 3.47Å; D301-R304 PolarHBondContact O-N 3.1Å; I302-R304 VanDerWaalsContact C-N 3.31Å; R304-G306 VanDerWaalsContact C-N 3.26Å; R304-G306 PolarHBondContact O-N 3.05Å; R304-G306 VanDerWaalsContact O-N 3.14Å; R304-F307 HydrophobicContact CB-CB 4.49Å; R304-F307 VanDerWaalsContact O-CB 3.27Å; R304-F307 WeakPolarHBondContact O-CB 3.28Å; R304-F307 PolarHBondContact O-N 3.46Å | ||
| 305 | P | 89.3 | Confident | 92.7 | Very high | 101 Ų | 101 | 46.1 Ų | 46.1 | 66% | 0.656 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -38.1 | -178.1 | -30.2 | 35.8 | 0 | 0 | 0 | 114.8 | L395 | P305-L395 HydrophobicContact CB-CD1 4.01Å; P305-L395 HydrophobicContact CG-CD1 4.36Å |
| 306 | G | 89.2 | Confident | 92.4 | Very high | 23 Ų | 23 | 50.4 Ų | 50.4 | 24% | 0.237 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 16.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R304 R310 | R304-G306 VanDerWaalsContact C-N 3.26Å; R304-G306 PolarHBondContact O-N 3.05Å; R304-G306 VanDerWaalsContact O-N 3.14Å; G306-R310 VanDerWaalsContact O-CG 3.29Å; G306-R310 WeakPolarHBondContact O-CG 3.38Å; G306-R310 PolarHBondContact O-N 2.59Å |
| 307 | F | 92.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 50 Ų | 50 | 4% | 0.039 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.9 | -50 | 179.3 | 173 | -97.4 | 0 | 0 | 0 | 111.5 | I302 R304 D309 R310 F311 L343 | I302-F307 HydrophobicContact CD1-CD2 4.35Å; I302-F307 HydrophobicContact CD1-CE2 3.62Å; I302-F307 HydrophobicContact CD1-CZ 3.91Å; I302-F307 WeakPolarHBondContact O-CG 3.37Å; R304-F307 HydrophobicContact CB-CB 4.49Å; R304-F307 VanDerWaalsContact O-CB 3.27Å; R304-F307 WeakPolarHBondContact O-CB 3.28Å; R304-F307 PolarHBondContact O-N 3.46Å; F307-D309 PolarHBondContact O-N 3.34Å; F307-R310 PolarHBondContact O-N 2.79Å; F307-F311 WeakPolarHBondContact O-CB 3.49Å; F307-F311 PolarHBondContact O-N 3.37Å; F307-L343 HydrophobicContact CZ-CD1 3.79Å |
| 308 | H | 87.8 | Confident | 92 | Very high | 47 Ų | 47 | 54.1 Ų | 54.1 | 22% | 0.218 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.3 | -40.9 | -175.2 | -170.4 | 61.4 | 0 | 0 | 0 | 112.6 | R310 F311 L312 N535 | H308-R310 PolarHBondContact O-N 3.09Å; H308-F311 WeakPolarHBondContact O-CB 3.26Å; H308-F311 PolarHBondContact O-N 3.17Å; H308-L312 WeakPolarHBondContact NE2-CD1 3.34Å; H308-L312 WeakPolarHBondContact O-CG 3.48Å; H308-L312 PolarHBondContact O-N 3.45Å; H308-N535 PolarHBondContact NE2-ND2 3.31Å |
| 309 | D | 89.5 | Confident | 91.8 | Very high | 104 Ų | 104 | 56 Ų | 56 | 56% | 0.556 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.5 | -42.9 | 178.8 | -59.1 | -27.5 | 0 | 0 | 0 | 111.8 | F307 S313 | F307-D309 PolarHBondContact O-N 3.34Å; D309-S313 WeakPolarHBondContact O-CB 3.42Å; D309-S313 PolarHBondContact O-N 3.42Å; D309-S313 PolarHBondContact O-OG 2.99Å |
| 310 | R | 91 | Very high | 91.7 | Very high | 120 Ų | 120 | 56 Ų | 56 | 45% | 0.453 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 176 | -70.5 | 173.7 | -177.9 | -162.9 | -3.8 | 111.4 | G306 F307 H308 S313 Q314 | G306-R310 VanDerWaalsContact O-CG 3.29Å; G306-R310 WeakPolarHBondContact O-CG 3.38Å; G306-R310 PolarHBondContact O-N 2.59Å; F307-R310 PolarHBondContact O-N 2.79Å; H308-R310 PolarHBondContact O-N 3.09Å; R310-S313 PolarHBondContact O-N 2.81Å; R310-Q314 WeakPolarHBondContact O-CB 3.42Å; R310-Q314 PolarHBondContact O-N 3.31Å |
| 311 | F | 93.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.8 | -52.5 | 176.8 | 179.4 | -102.3 | 0 | 0 | 0 | 111.5 | I245 F307 H308 S313 Q314 L315 V335 L339 P340 | I245-F311 HydrophobicContact CG1-CD2 4.21Å; I245-F311 HydrophobicContact CG2-CD2 3.98Å; I245-F311 HydrophobicContact CG2-CE2 3.86Å; F307-F311 WeakPolarHBondContact O-CB 3.49Å; F307-F311 PolarHBondContact O-N 3.37Å; H308-F311 WeakPolarHBondContact O-CB 3.26Å; H308-F311 PolarHBondContact O-N 3.17Å; F311-S313 VanDerWaalsContact C-N 3.34Å; F311-S313 PolarHBondContact O-N 2.81Å; F311-Q314 WeakPolarHBondContact O-CB 3.28Å; F311-Q314 PolarHBondContact O-N 2.72Å; F311-Q314 VanDerWaalsContact O-N 3.08Å; F311-L315 HydrophobicContact CD1-CD1 4.27Å; F311-L315 HydrophobicContact CD2-CD1 4.13Å; F311-L315 HydrophobicContact CE1-CD1 3.93Å; F311-L315 HydrophobicContact CE1-CD2 4.18Å; F311-L315 HydrophobicContact CE2-CD1 3.76Å; F311-L315 HydrophobicContact CG-CD1 4.36Å; F311-L315 HydrophobicContact CZ-CD1 3.65Å; F311-L315 HydrophobicContact CZ-CD2 4.25Å; F311-L315 WeakPolarHBondContact O-CD1 3.43Å; F311-L315 PolarHBondContact O-N 3.38Å; F311-V335 HydrophobicContact CZ-CG1 4.12Å; F311-V335 WeakPolarHBondContact CZ-O 3.11Å; F311-L339 HydrophobicContact CE2-CD2 4.06Å; F311-L339 HydrophobicContact CZ-CD2 4.21Å; F311-P340 HydrophobicContact CD1-CG 4Å; F311-P340 HydrophobicContact CE1-CG 3.55Å; F311-P340 HydrophobicContact CZ-CG 4.02Å |
| 312 | L | 91.5 | Very high | 91.3 | Very high | 52 Ų | 52 | 55 Ų | 55 | 27% | 0.272 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 177.7 | -67.8 | -178.6 | 0 | 0 | 0 | 112.9 | H308 Q314 L315 S316 Q336 | H308-L312 WeakPolarHBondContact NE2-CD1 3.34Å; H308-L312 WeakPolarHBondContact O-CG 3.48Å; H308-L312 PolarHBondContact O-N 3.45Å; L312-Q314 PolarHBondContact O-N 3.05Å; L312-L315 PolarHBondContact O-N 3.17Å; L312-S316 WeakPolarHBondContact O-CB 3.36Å; L312-S316 PolarHBondContact O-N 3.48Å; L312-S316 PolarHBondContact O-OG 2.99Å; L312-Q336 HydrophobicContact CD2-CG 4.02Å |
| 313 | S | 91.6 | Very high | 91.3 | Very high | 73 Ų | 73 | 57 Ų | 57 | 51% | 0.51 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.4 | -36.4 | 173.5 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | D309 R310 F311 S316 K317 | D309-S313 WeakPolarHBondContact O-CB 3.42Å; D309-S313 PolarHBondContact O-N 3.42Å; D309-S313 PolarHBondContact O-OG 2.99Å; R310-S313 PolarHBondContact O-N 2.81Å; F311-S313 VanDerWaalsContact C-N 3.34Å; F311-S313 PolarHBondContact O-N 2.81Å; S313-S316 WeakPolarHBondContact CA-OG 3.15Å; S313-S316 PolarHBondContact O-N 3.24Å; S313-S316 PolarHBondContact O-OG 2.84Å; S313-K317 PolarHBondContact O-N 3.14Å |
| 314 | Q | 91.2 | Very high | 91.3 | Very high | 31 Ų | 31 | 56.4 Ų | 56.4 | 15% | 0.145 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -74 | -28.1 | 179.9 | -160 | 62.7 | -1.3 | 0 | 0 | 113.8 | F237 D241 I245 R310 F311 L312 K317 | F237-Q314 HydrophobicContact CD1-CG 4.23Å; F237-Q314 HydrophobicContact CE1-CG 4.21Å; D241-Q314 PolarHBondContact OD1-NE2 3.39Å; D241-Q314 PolarHBondContact OD2-NE2 3.41Å; I245-Q314 HydrophobicContact CD1-CG 4.03Å; R310-Q314 WeakPolarHBondContact O-CB 3.42Å; R310-Q314 PolarHBondContact O-N 3.31Å; F311-Q314 WeakPolarHBondContact O-CB 3.28Å; F311-Q314 PolarHBondContact O-N 2.72Å; F311-Q314 VanDerWaalsContact O-N 3.08Å; L312-Q314 PolarHBondContact O-N 3.05Å; Q314-K317 VanDerWaalsContact O-CE 3.27Å; Q314-K317 WeakPolarHBondContact O-CE 3.43Å; Q314-K317 WeakPolarHBondContact O-CG 3.46Å |
| 315 | L | 91.5 | Very high | 91.2 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -81.7 | -25.2 | 174.3 | -87.1 | 73.5 | 0 | 0 | 0 | 112.8 | F311 L312 L324 V335 Q336 | F311-L315 HydrophobicContact CD1-CD1 4.27Å; F311-L315 HydrophobicContact CD2-CD1 4.13Å; F311-L315 HydrophobicContact CE1-CD1 3.93Å; F311-L315 HydrophobicContact CE1-CD2 4.18Å; F311-L315 HydrophobicContact CE2-CD1 3.76Å; F311-L315 HydrophobicContact CG-CD1 4.36Å; F311-L315 HydrophobicContact CZ-CD1 3.65Å; F311-L315 HydrophobicContact CZ-CD2 4.25Å; F311-L315 WeakPolarHBondContact O-CD1 3.43Å; F311-L315 PolarHBondContact O-N 3.38Å; L312-L315 PolarHBondContact O-N 3.17Å; L315-L324 HydrophobicContact CD2-CD1 4.39Å; L315-L324 HydrophobicContact CG-CD1 4.01Å; L315-V335 HydrophobicContact CD1-CG1 4.25Å; L315-V335 HydrophobicContact CD2-CG1 3.93Å; L315-V335 HydrophobicContact CG-CG1 4.29Å; L315-Q336 HydrophobicContact CD2-CB 3.63Å; L315-Q336 HydrophobicContact CD2-CG 4.05Å |
| 316 | S | 90.1 | Very high | 91.3 | Very high | 92 Ų | 92 | 54.7 Ų | 54.7 | 64% | 0.643 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -92.9 | -9.2 | -177.6 | 53.5 | 0 | 0 | 0 | 0 | 114.3 | L312 S313 | L312-S316 WeakPolarHBondContact O-CB 3.36Å; L312-S316 PolarHBondContact O-N 3.48Å; L312-S316 PolarHBondContact O-OG 2.99Å; S313-S316 WeakPolarHBondContact CA-OG 3.15Å; S313-S316 PolarHBondContact O-N 3.24Å; S313-S316 PolarHBondContact O-OG 2.84Å |
| 317 | K | 91.3 | Very high | 91.2 | Very high | 40 Ų | 40 | 56.4 Ų | 56.4 | 17% | 0.174 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -60.4 | 152.1 | 176 | 72 | -176.4 | 170 | 164.3 | 0 | 112.1 | L236 D241 S313 Q314 G319 A320 | L236-K317 HydrophobicContact CD2-CD 4.23Å; L236-K317 HydrophobicContact CD2-CG 4.39Å; L236-K317 PolarHBondContact O-NZ 3.32Å; D241-K317 IonicContact OD2-NZ 3.14Å; S313-K317 PolarHBondContact O-N 3.14Å; Q314-K317 VanDerWaalsContact O-CE 3.27Å; Q314-K317 WeakPolarHBondContact O-CE 3.43Å; Q314-K317 WeakPolarHBondContact O-CG 3.46Å; K317-G319 PolarHBondContact O-N 2.96Å; K317-A320 HydrophobicContact CG-CB 3.68Å; K317-A320 WeakPolarHBondContact O-CB 3.37Å; K317-A320 PolarHBondContact O-N 2.99Å; K317-A320 VanDerWaalsContact O-N 3.08Å |
| 318 | P | 92.2 | Very high | 90.8 | Very high | 129 Ų | 129 | 56.8 Ų | 56.8 | 84% | 0.838 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 129.4 | -176.7 | -27.7 | 35.5 | 0 | 0 | 0 | 113 | A320 | P318-A320 VanDerWaalsContact C-N 3.28Å; P318-A320 PolarHBondContact O-N 3.37Å |
| 319 | G | 91.9 | Very high | 90.5 | Very high | 39 Ų | 39 | 60.3 Ų | 60.3 | 40% | 0.402 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -22.9 | -180 | 0 | 0 | 0 | 0 | 0 | 115.6 | K317 L322 Y323 | K317-G319 PolarHBondContact O-N 2.96Å; G319-L322 PolarHBondContact O-N 3.03Å; G319-Y323 WeakPolarHBondContact O-CB 3.49Å; G319-Y323 PolarHBondContact O-N 2.9Å |
| 320 | A | 92.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.4 | -48 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L236 F237 K317 P318 L322 Y323 L324 | L236-A320 HydrophobicContact CD2-CB 3.91Å; F237-A320 HydrophobicContact CE1-CB 4.41Å; F237-A320 HydrophobicContact CZ-CB 4.11Å; K317-A320 HydrophobicContact CG-CB 3.68Å; K317-A320 WeakPolarHBondContact O-CB 3.37Å; K317-A320 PolarHBondContact O-N 2.99Å; K317-A320 VanDerWaalsContact O-N 3.08Å; P318-A320 VanDerWaalsContact C-N 3.28Å; P318-A320 PolarHBondContact O-N 3.37Å; A320-L322 PolarHBondContact O-N 3.34Å; A320-Y323 PolarHBondContact O-N 2.86Å; A320-L324 WeakPolarHBondContact O-CG 3.24Å; A320-L324 PolarHBondContact O-N 3.16Å |
| 321 | A | 90.4 | Very high | 90.2 | Very high | 29 Ų | 29 | 50.3 Ų | 50.3 | 24% | 0.24 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.8 | -44 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | L324 Q325 K332 | A321-L324 PolarHBondContact O-N 3.32Å; A321-Q325 WeakPolarHBondContact O-CG 3.48Å; A321-Q325 PolarHBondContact O-N 3.29Å; A321-Q325 VanDerWaalsContact O-N 3.08Å; A321-K332 HydrophobicContact CB-CD 4.48Å |
| 322 | L | 91.6 | Very high | 90.1 | Very high | 126 Ų | 126 | 51.9 Ų | 51.9 | 66% | 0.66 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67 | -40.4 | 178.3 | -67.6 | 175 | 0 | 0 | 0 | 111.5 | G319 A320 Q325 S326 | G319-L322 PolarHBondContact O-N 3.03Å; A320-L322 PolarHBondContact O-N 3.34Å; L322-Q325 PolarHBondContact O-N 3.5Å; L322-S326 PolarHBondContact O-N 2.72Å |
| 323 | Y | 94.2 | Very high | 90.1 | Very high | 41 Ų | 41 | 50.9 Ų | 50.9 | 16% | 0.161 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 176.5 | 174.7 | -110.6 | 0 | 0 | 0 | 111.5 | P229 N233 L236 F237 G319 A320 Q325 S326 I327 | P229-Y323 HydrophobicContact CB-CE1 4.16Å; P229-Y323 VanDerWaalsContact O-CE1 3.32Å; P229-Y323 WeakPolarHBondContact O-CE1 3.3Å; P229-Y323 PolarHBondContact O-OH 3.43Å; N233-Y323 HydrophobicContact CB-CD1 4.46Å; N233-Y323 HydrophobicContact CB-CE1 3.81Å; N233-Y323 HydrophobicContact CB-CE2 3.94Å; N233-Y323 WeakPolarHBondContact ND2-CD2 3.48Å; N233-Y323 VanDerWaalsContact ND2-CE2 3.33Å; N233-Y323 WeakPolarHBondContact ND2-CE2 3.3Å; L236-Y323 HydrophobicContact CD1-CD1 4.26Å; L236-Y323 HydrophobicContact CD1-CG 4Å; F237-Y323 AromaticContact CE2-CD1 3.81Å; F237-Y323 HydrophobicContact CE2-CD1 3.81Å; F237-Y323 HydrophobicContact CE2-CE1 4.03Å; G319-Y323 WeakPolarHBondContact O-CB 3.49Å; G319-Y323 PolarHBondContact O-N 2.9Å; A320-Y323 PolarHBondContact O-N 2.86Å; Y323-Q325 VanDerWaalsContact C-N 3.31Å; Y323-Q325 PolarHBondContact O-N 2.96Å; Y323-S326 WeakPolarHBondContact O-CB 3.47Å; Y323-S326 PolarHBondContact O-N 3.17Å; Y323-S326 PolarHBondContact O-OG 3.44Å; Y323-I327 HydrophobicContact CE1-CD1 4.46Å; Y323-I327 HydrophobicContact CE2-CD1 3.91Å; Y323-I327 PolarHBondContact O-N 2.9Å |
| 324 | L | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.6 | -37.5 | 178.5 | -65.9 | 176 | 0 | 0 | 0 | 112.3 | F230 L315 A320 A321 S326 I327 F331 K332 V335 | F230-L324 HydrophobicContact CE2-CD2 4.26Å; F230-L324 HydrophobicContact CZ-CD2 4.16Å; L315-L324 HydrophobicContact CD2-CD1 4.39Å; L315-L324 HydrophobicContact CG-CD1 4.01Å; A320-L324 WeakPolarHBondContact O-CG 3.24Å; A320-L324 PolarHBondContact O-N 3.16Å; A321-L324 PolarHBondContact O-N 3.32Å; L324-S326 VanDerWaalsContact C-N 3.29Å; L324-S326 PolarHBondContact O-N 2.94Å; L324-I327 PolarHBondContact O-N 2.86Å; L324-F331 HydrophobicContact CD2-CD1 4.23Å; L324-F331 HydrophobicContact CD2-CE1 3.95Å; L324-K332 HydrophobicContact CB-CB 3.95Å; L324-K332 HydrophobicContact CB-CG 4.38Å; L324-V335 HydrophobicContact CD1-CG1 4.26Å; L324-V335 HydrophobicContact CD2-CG2 4.36Å |
| 325 | Q | 90.3 | Very high | 90.2 | Very high | 99 Ų | 99 | 46 Ų | 46 | 46% | 0.463 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.5 | -30.7 | 173.1 | -73.8 | 171.5 | -6 | 0 | 0 | 112.8 | A321 L322 Y323 I327 K332 | A321-Q325 WeakPolarHBondContact O-CG 3.48Å; A321-Q325 PolarHBondContact O-N 3.29Å; A321-Q325 VanDerWaalsContact O-N 3.08Å; L322-Q325 PolarHBondContact O-N 3.5Å; Y323-Q325 VanDerWaalsContact C-N 3.31Å; Y323-Q325 PolarHBondContact O-N 2.96Å; Q325-I327 VanDerWaalsContact C-N 3.32Å; Q325-I327 PolarHBondContact O-N 3.38Å; Q325-K332 HydrophobicContact CG-CB 4.08Å; Q325-K332 HydrophobicContact CG-CD 3.85Å |
| 326 | S | 90.6 | Very high | 90.3 | Very high | 87 Ų | 87 | 47.2 Ų | 47.2 | 61% | 0.608 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -73.6 | -19.2 | 179.9 | 76.1 | 0 | 0 | 0 | 0 | 114.5 | L322 Y323 L324 | L322-S326 PolarHBondContact O-N 2.72Å; Y323-S326 WeakPolarHBondContact O-CB 3.47Å; Y323-S326 PolarHBondContact O-N 3.17Å; Y323-S326 PolarHBondContact O-OG 3.44Å; L324-S326 VanDerWaalsContact C-N 3.29Å; L324-S326 PolarHBondContact O-N 2.94Å |
| 327 | I | 88.8 | Confident | 90.4 | Very high | 60 Ų | 60 | 43.1 Ų | 43.1 | 31% | 0.308 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -71.4 | -39.4 | 178.7 | -61 | -51.6 | 0 | 0 | 0 | 111.4 | P229 Y323 L324 Q325 F331 M553 | P229-I327 HydrophobicContact CB-CD1 4.4Å; P229-I327 HydrophobicContact CB-CG1 4.22Å; P229-I327 HydrophobicContact CG-CG1 4.49Å; P229-I327 HydrophobicContact CG-CG2 4.37Å; Y323-I327 HydrophobicContact CE1-CD1 4.46Å; Y323-I327 HydrophobicContact CE2-CD1 3.91Å; Y323-I327 PolarHBondContact O-N 2.9Å; L324-I327 PolarHBondContact O-N 2.86Å; Q325-I327 VanDerWaalsContact C-N 3.32Å; Q325-I327 PolarHBondContact O-N 3.38Å; I327-F331 HydrophobicContact CB-CD1 3.79Å; I327-F331 HydrophobicContact CB-CE1 4.23Å; I327-F331 HydrophobicContact CB-CG 4.18Å; I327-F331 HydrophobicContact CG1-CD1 4.21Å; I327-F331 HydrophobicContact CG1-CE1 4.31Å; I327-F331 HydrophobicContact CG2-CD1 3.91Å; I327-F331 HydrophobicContact CG2-CD2 4.33Å; I327-F331 HydrophobicContact CG2-CE1 4.07Å; I327-F331 HydrophobicContact CG2-CE2 4.48Å; I327-F331 HydrophobicContact CG2-CG 4.05Å; I327-F331 HydrophobicContact CG2-CZ 4.37Å; I327-M553 HydrophobicContact CG2-CE 4.3Å |
| 328 | G | 82.9 | Confident | 90.4 | Very high | 17 Ų | 17 | 41.6 Ų | 41.6 | 18% | 0.175 | 24% | 0.24 | C | C | . | . | S | Bend | trans | 177.3 | 154.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G330 F331 | G328-G330 PolarHBondContact O-N 3.13Å; G328-F331 VanDerWaalsContact O-CB 3.25Å; G328-F331 WeakPolarHBondContact O-CB 3.35Å; G328-F331 PolarHBondContact O-N 3.41Å; G328-F331 VanDerWaalsContact O-N 3.13Å |
| 329 | E | 80.7 | Confident | 90.5 | Very high | 121 Ų | 121 | 35.5 Ų | 35.5 | 57% | 0.565 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 128 | 176.9 | -168.9 | 177.3 | 173.2 | 0 | 0 | 110.5 | F331 | E329-F331 PolarHBondContact O-N 3.48Š|
| 330 | G | 84.3 | Confident | 90.5 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 7% | 0.072 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | -3.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | G328 K332 E333 A334 Y546 | G328-G330 PolarHBondContact O-N 3.13Å; G330-K332 VanDerWaalsContact C-N 3.34Å; G330-K332 PolarHBondContact O-N 2.98Å; G330-E333 VanDerWaalsContact C-OE2 3.29Å; G330-E333 WeakPolarHBondContact CA-OE2 3.4Å; G330-E333 PolarHBondContact O-N 3.17Å; G330-A334 PolarHBondContact O-N 2.82Å; G330-Y546 VanDerWaalsContact CA-CE1 3.46Å; G330-Y546 WeakPolarHBondContact CA-OH 3.43Å |
| 331 | F | 90.3 | Very high | 90.4 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.1 | -40.5 | -176.4 | -173 | -103.7 | 0 | 0 | 0 | 111.5 | V225 F226 P229 L324 I327 G328 E329 E333 A334 V335 M553 | V225-F331 HydrophobicContact CG1-CE2 4.1Å; V225-F331 WeakPolarHBondContact O-CZ 3.4Å; F226-F331 HydrophobicContact CD1-CE2 4.44Å; F226-F331 HydrophobicContact CD1-CZ 4.49Å; P229-F331 HydrophobicContact CB-CE1 4.31Å; P229-F331 HydrophobicContact CG-CE1 4.02Å; P229-F331 HydrophobicContact CG-CZ 3.81Å; L324-F331 HydrophobicContact CD2-CD1 4.23Å; L324-F331 HydrophobicContact CD2-CE1 3.95Å; I327-F331 HydrophobicContact CB-CD1 3.79Å; I327-F331 HydrophobicContact CB-CE1 4.23Å; I327-F331 HydrophobicContact CB-CG 4.18Å; I327-F331 HydrophobicContact CG1-CD1 4.21Å; I327-F331 HydrophobicContact CG1-CE1 4.31Å; I327-F331 HydrophobicContact CG2-CD1 3.91Å; I327-F331 HydrophobicContact CG2-CD2 4.33Å; I327-F331 HydrophobicContact CG2-CE1 4.07Å; I327-F331 HydrophobicContact CG2-CE2 4.48Å; I327-F331 HydrophobicContact CG2-CG 4.05Å; I327-F331 HydrophobicContact CG2-CZ 4.37Å; G328-F331 VanDerWaalsContact O-CB 3.25Å; G328-F331 WeakPolarHBondContact O-CB 3.35Å; G328-F331 PolarHBondContact O-N 3.41Å; G328-F331 VanDerWaalsContact O-N 3.13Å; E329-F331 PolarHBondContact O-N 3.48Å; F331-E333 VanDerWaalsContact C-N 3.32Å; F331-E333 PolarHBondContact O-N 3.13Å; F331-A334 PolarHBondContact O-N 2.87Å; F331-V335 HydrophobicContact CD1-CG2 3.91Å; F331-V335 HydrophobicContact CE1-CG2 3.57Å; F331-V335 HydrophobicContact CE2-CG2 4.38Å; F331-V335 HydrophobicContact CG-CG2 4.45Å; F331-V335 HydrophobicContact CZ-CG2 3.82Å; F331-V335 WeakPolarHBondContact O-CG2 3.32Å; F331-V335 PolarHBondContact O-N 3.07Å; F331-M553 HydrophobicContact CD2-CE 4.35Å; F331-M553 HydrophobicContact CE2-CE 4.4Å |
| 332 | K | 92 | Very high | 90.5 | Very high | 37 Ų | 37 | 35 Ų | 35 | 16% | 0.161 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.2 | -46.6 | 174.6 | 175.9 | -168.3 | 153.6 | 74.7 | 0 | 111.2 | A321 L324 Q325 G330 V335 Q336 | A321-K332 HydrophobicContact CB-CD 4.48Å; L324-K332 HydrophobicContact CB-CB 3.95Å; L324-K332 HydrophobicContact CB-CG 4.38Å; Q325-K332 HydrophobicContact CG-CB 4.08Å; Q325-K332 HydrophobicContact CG-CD 3.85Å; G330-K332 VanDerWaalsContact C-N 3.34Å; G330-K332 PolarHBondContact O-N 2.98Å; K332-V335 PolarHBondContact O-N 2.96Å; K332-Q336 WeakPolarHBondContact O-CB 3.09Å; K332-Q336 PolarHBondContact O-N 3.2Å |
| 333 | E | 90.8 | Very high | 90.7 | Very high | 32 Ų | 32 | 29 Ų | 29 | 15% | 0.15 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.5 | -41.4 | -178.3 | -66.5 | 64.1 | -140.3 | 0 | 0 | 110.6 | G330 F331 Q336 Y337 I542 | G330-E333 VanDerWaalsContact C-OE2 3.29Å; G330-E333 WeakPolarHBondContact CA-OE2 3.4Å; G330-E333 PolarHBondContact O-N 3.17Å; F331-E333 VanDerWaalsContact C-N 3.32Å; F331-E333 PolarHBondContact O-N 3.13Å; E333-Q336 PolarHBondContact O-N 2.77Å; E333-Y337 WeakPolarHBondContact O-CB 3.41Å; E333-Y337 WeakPolarHBondContact O-CD2 3.31Å; E333-Y337 PolarHBondContact O-N 2.76Å; E333-I542 HydrophobicContact CB-CD1 4.07Å; E333-I542 HydrophobicContact CB-CG1 4.41Å; E333-I542 HydrophobicContact CB-CG2 4.08Å |
| 334 | A | 91.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -61.3 | -44.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F226 G330 F331 V338 L339 I542 L550 | F226-A334 HydrophobicContact CE1-CB 4.12Å; F226-A334 HydrophobicContact CZ-CB 4.37Å; G330-A334 PolarHBondContact O-N 2.82Å; F331-A334 PolarHBondContact O-N 2.87Å; A334-V338 WeakPolarHBondContact O-CA 3.45Å; A334-V338 VanDerWaalsContact O-CB 3.23Å; A334-V338 WeakPolarHBondContact O-CB 3.27Å; A334-V338 PolarHBondContact O-N 3.24Å; A334-L339 PolarHBondContact O-N 3.07Å; A334-I542 HydrophobicContact CB-CG2 4.37Å; A334-L550 HydrophobicContact CB-CD1 4.31Å |
| 335 | V | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -61.8 | -49.2 | 174.5 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | F226 F230 F311 L315 L324 F331 K332 Y337 L339 P340 | F226-V335 HydrophobicContact CD1-CG2 3.9Å; F226-V335 HydrophobicContact CE1-CG2 4.18Å; F230-V335 HydrophobicContact CE2-CG1 4.1Å; F230-V335 HydrophobicContact CZ-CG1 3.73Å; F311-V335 HydrophobicContact CZ-CG1 4.12Å; F311-V335 WeakPolarHBondContact CZ-O 3.11Å; L315-V335 HydrophobicContact CD1-CG1 4.25Å; L315-V335 HydrophobicContact CD2-CG1 3.93Å; L315-V335 HydrophobicContact CG-CG1 4.29Å; L324-V335 HydrophobicContact CD1-CG1 4.26Å; L324-V335 HydrophobicContact CD2-CG2 4.36Å; F331-V335 HydrophobicContact CD1-CG2 3.91Å; F331-V335 HydrophobicContact CE1-CG2 3.57Å; F331-V335 HydrophobicContact CE2-CG2 4.38Å; F331-V335 HydrophobicContact CG-CG2 4.45Å; F331-V335 HydrophobicContact CZ-CG2 3.82Å; F331-V335 WeakPolarHBondContact O-CG2 3.32Å; F331-V335 PolarHBondContact O-N 3.07Å; K332-V335 PolarHBondContact O-N 2.96Å; V335-Y337 PolarHBondContact O-N 2.84Å; V335-L339 HydrophobicContact CG1-CD2 4.17Å; V335-L339 WeakPolarHBondContact O-CB 3.19Å; V335-P340 WeakPolarHBondContact O-CD 3.44Å |
| 336 | Q | 93.4 | Very high | 90.9 | Very high | 29 Ų | 29 | 22.7 Ų | 22.7 | 14% | 0.136 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -65.4 | -40.3 | -174.5 | -172.5 | 167.9 | -31 | 0 | 0 | 113.4 | L312 L315 K332 E333 | L312-Q336 HydrophobicContact CD2-CG 4.02Å; L315-Q336 HydrophobicContact CD2-CB 3.63Å; L315-Q336 HydrophobicContact CD2-CG 4.05Å; K332-Q336 WeakPolarHBondContact O-CB 3.09Å; K332-Q336 PolarHBondContact O-N 3.2Å; E333-Q336 PolarHBondContact O-N 2.77Å |
| 337 | Y | 92.3 | Very high | 91.1 | Very high | 6 Ų | 6 | 18.6 Ų | 18.6 | 2% | 0.024 | 10% | 0.095 | C | C | . | . | I | π-helix | trans | -110.1 | -34.8 | -168.2 | -64.9 | -65.8 | 0 | 0 | 0 | 114.3 | E333 V335 R341 D503 N535 M538 A539 I542 | E333-Y337 WeakPolarHBondContact O-CB 3.41Å; E333-Y337 WeakPolarHBondContact O-CD2 3.31Å; E333-Y337 PolarHBondContact O-N 2.76Å; V335-Y337 PolarHBondContact O-N 2.84Å; Y337-R341 WeakPolarHBondContact O-CD 3.48Å; Y337-R341 PolarHBondContact O-NH1 3.03Å; Y337-D503 PolarHBondContact OH-OD2 3.17Å; Y337-N535 WeakPolarHBondContact CE1-OD1 3.25Å; Y337-M538 HydrophobicContact CD1-CB 3.44Å; Y337-M538 VanDerWaalsContact CD1-CB 3.44Å; Y337-M538 HydrophobicContact CD1-CG 4.18Å; Y337-M538 HydrophobicContact CD2-CB 4.03Å; Y337-M538 HydrophobicContact CD2-CE 3.77Å; Y337-M538 HydrophobicContact CE1-CB 3.83Å; Y337-M538 HydrophobicContact CE1-CG 4.05Å; Y337-M538 HydrophobicContact CE2-CB 4.37Å; Y337-M538 HydrophobicContact CE2-CE 3.51Å; Y337-M538 HydrophobicContact CE2-CG 4.44Å; Y337-M538 HydrophobicContact CG-CB 3.55Å; Y337-M538 HydrophobicContact CG-CE 4.49Å; Y337-M538 HydrophobicContact CG-CG 4.44Å; Y337-A539 VanDerWaalsContact O-CB 3.23Å; Y337-A539 WeakPolarHBondContact O-CB 3.49Å; Y337-I542 HydrophobicContact CD2-CG1 4.49Å |
| 338 | V | 92.1 | Very high | 91.1 | Very high | 8 Ų | 8 | 16.9 Ų | 16.9 | 5% | 0.048 | 9% | 0.085 | C | C | . | . | I | π-helix | trans | -93.5 | -45.1 | -173.8 | -175 | 0 | 0 | 0 | 0 | 111.9 | A334 P340 R341 L342 I542 | A334-V338 WeakPolarHBondContact O-CA 3.45Å; A334-V338 VanDerWaalsContact O-CB 3.23Å; A334-V338 WeakPolarHBondContact O-CB 3.27Å; A334-V338 PolarHBondContact O-N 3.24Å; V338-P340 VanDerWaalsContact C-CD 3.49Å; V338-R341 WeakPolarHBondContact O-CB 3.4Å; V338-R341 PolarHBondContact O-N 2.84Å; V338-L342 HydrophobicContact CG1-CD1 4.12Å; V338-L342 HydrophobicContact CG1-CG 4.17Å; V338-L342 PolarHBondContact O-N 2.65Å; V338-I542 HydrophobicContact CG2-CB 4.05Å; V338-I542 HydrophobicContact CG2-CG2 3.71Å |
| 339 | L | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -53.1 | -42.9 | -177.9 | 176.6 | 62.1 | 0 | 0 | 0 | 113.6 | I222 F226 I245 F246 F311 A334 V335 R341 L342 L343 | I222-L339 HydrophobicContact CG2-CD1 4.33Å; F226-L339 HydrophobicContact CB-CD1 3.85Å; F226-L339 HydrophobicContact CB-CD2 4.23Å; F226-L339 HydrophobicContact CD1-CB 4.04Å; F226-L339 HydrophobicContact CD1-CD1 4.17Å; F226-L339 HydrophobicContact CD1-CD2 4.21Å; F226-L339 HydrophobicContact CD1-CG 4.37Å; F226-L339 HydrophobicContact CD2-CD1 4.3Å; F226-L339 HydrophobicContact CE1-CB 4.17Å; F226-L339 HydrophobicContact CG-CD1 3.86Å; F226-L339 HydrophobicContact CG-CD2 4.48Å; I245-L339 HydrophobicContact CG2-CD2 4.38Å; F246-L339 HydrophobicContact CE1-CD1 3.96Å; F246-L339 HydrophobicContact CE1-CD2 3.86Å; F246-L339 HydrophobicContact CE1-CG 4.47Å; F246-L339 HydrophobicContact CZ-CD2 3.88Å; F311-L339 HydrophobicContact CE2-CD2 4.06Å; F311-L339 HydrophobicContact CZ-CD2 4.21Å; A334-L339 PolarHBondContact O-N 3.07Å; V335-L339 HydrophobicContact CG1-CD2 4.17Å; V335-L339 WeakPolarHBondContact O-CB 3.19Å; L339-R341 PolarHBondContact O-N 2.94Å; L339-L342 PolarHBondContact O-N 3.47Å; L339-L342 VanDerWaalsContact O-N 3.11Å; L339-L343 HydrophobicContact CD1-CD1 4.27Å; L339-L343 HydrophobicContact CD1-CD2 4.2Å; L339-L343 HydrophobicContact CD1-CG 3.93Å; L339-L343 HydrophobicContact CG-CD1 4.07Å; L339-L343 HydrophobicContact CG-CG 4.23Å; L339-L343 WeakPolarHBondContact O-CG 3.36Å; L339-L343 PolarHBondContact O-N 2.8Å |
| 340 | P | 92.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 10.6 Ų | 10.6 | 3% | 0.026 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -58.5 | -22 | 177.2 | -27.1 | 36.3 | 0 | 0 | 0 | 115.1 | F311 V335 V338 | F311-P340 HydrophobicContact CD1-CG 4Å; F311-P340 HydrophobicContact CE1-CG 3.55Å; F311-P340 HydrophobicContact CZ-CG 4.02Å; V335-P340 WeakPolarHBondContact O-CD 3.44Å; V338-P340 VanDerWaalsContact C-CD 3.49Å |
| 341 | R | 90.4 | Very high | 92.7 | Very high | 31 Ų | 31 | 12.7 Ų | 12.7 | 12% | 0.117 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -86.7 | -42.7 | 176.2 | -78 | 72.6 | -178.6 | 174.8 | 9.5 | 110.8 | Y337 V338 L339 L343 L344 F407 N535 N536 A539 | Y337-R341 WeakPolarHBondContact O-CD 3.48Å; Y337-R341 PolarHBondContact O-NH1 3.03Å; V338-R341 WeakPolarHBondContact O-CB 3.4Å; V338-R341 PolarHBondContact O-N 2.84Å; L339-R341 PolarHBondContact O-N 2.94Å; R341-L343 PolarHBondContact O-N 2.85Å; R341-L344 WeakPolarHBondContact O-CB 3.29Å; R341-L344 PolarHBondContact O-N 3.26Å; R341-F407 HydrophobicContact CB-CE2 4.29Å; R341-N535 VanDerWaalsContact NH2-CB 3.35Å; R341-N535 PolarHBondContact NH2-O 3.5Å; R341-N536 PolarHBondContact NH2-OD1 3.34Å; R341-A539 HydrophobicContact CG-CB 4.34Å |
| 342 | L | 91.9 | Very high | 92.8 | Very high | 22 Ų | 22 | 14.3 Ų | 14.3 | 12% | 0.115 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.5 | -37.3 | 174.1 | -63.2 | 176.2 | 0 | 0 | 0 | 111.3 | L221 I222 F226 V338 L339 L344 A345 F407 | L221-L342 HydrophobicContact CD2-CD1 4.34Å; I222-L342 HydrophobicContact CD1-CB 3.99Å; I222-L342 HydrophobicContact CG1-CB 3.99Å; F226-L342 HydrophobicContact CD2-CD1 4.09Å; F226-L342 HydrophobicContact CE2-CD1 3.43Å; F226-L342 VanDerWaalsContact CE2-CD1 3.43Å; F226-L342 HydrophobicContact CZ-CD1 3.92Å; V338-L342 HydrophobicContact CG1-CD1 4.12Å; V338-L342 HydrophobicContact CG1-CG 4.17Å; V338-L342 PolarHBondContact O-N 2.65Å; L339-L342 PolarHBondContact O-N 3.47Å; L339-L342 VanDerWaalsContact O-N 3.11Å; L342-L344 PolarHBondContact O-N 3.3Å; L342-L344 VanDerWaalsContact O-N 3.1Å; L342-A345 WeakPolarHBondContact O-CB 3.46Å; L342-A345 PolarHBondContact O-N 3.23Å; L342-F407 HydrophobicContact CD2-CZ 4.14Å |
| 343 | L | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -11.2 | 176 | -67.4 | 173.9 | 0 | 0 | 0 | 114.1 | I222 I245 F246 Y298 I302 F307 L339 R341 | I222-L343 HydrophobicContact CG2-CD2 3.99Å; I245-L343 HydrophobicContact CG2-CD1 4.49Å; I245-L343 WeakPolarHBondContact O-CD1 3.37Å; F246-L343 HydrophobicContact CD1-CD2 4.02Å; Y298-L343 VanDerWaalsContact CE1-O 3.22Å; Y298-L343 WeakPolarHBondContact CE1-O 3.37Å; Y298-L343 VanDerWaalsContact OH-CA 3.3Å; Y298-L343 WeakPolarHBondContact OH-CA 3.48Å; Y298-L343 WeakPolarHBondContact OH-CD2 3.48Å; Y298-L343 PolarHBondContact OH-O 3.38Å; I302-L343 HydrophobicContact CD1-CB 4.37Å; I302-L343 HydrophobicContact CD1-CD1 4.35Å; I302-L343 HydrophobicContact CG2-CB 4.32Å; F307-L343 HydrophobicContact CZ-CD1 3.79Å; L339-L343 HydrophobicContact CD1-CD1 4.27Å; L339-L343 HydrophobicContact CD1-CD2 4.2Å; L339-L343 HydrophobicContact CD1-CG 3.93Å; L339-L343 HydrophobicContact CG-CD1 4.07Å; L339-L343 HydrophobicContact CG-CG 4.23Å; L339-L343 WeakPolarHBondContact O-CG 3.36Å; L339-L343 PolarHBondContact O-N 2.8Å; R341-L343 PolarHBondContact O-N 2.85Å |
| 344 | L | 93.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 11.7 Ų | 11.7 | 2% | 0.016 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -16 | 173.6 | -62.5 | 174 | 0 | 0 | 0 | 113 | I302 L303 R341 L342 V347 Y348 S403 | I302-L344 HydrophobicContact CG2-CD2 3.85Å; L303-L344 HydrophobicContact CD2-CD2 3.77Å; R341-L344 WeakPolarHBondContact O-CB 3.29Å; R341-L344 PolarHBondContact O-N 3.26Å; L342-L344 PolarHBondContact O-N 3.3Å; L342-L344 VanDerWaalsContact O-N 3.1Å; L344-V347 WeakPolarHBondContact O-CB 3.31Å; L344-V347 PolarHBondContact O-N 2.98Å; L344-Y348 HydrophobicContact CB-CD2 4.47Å; L344-Y348 HydrophobicContact CB-CE2 3.94Å; L344-Y348 VanDerWaalsContact O-CD2 3.26Å; L344-Y348 WeakPolarHBondContact O-CD2 3.44Å; L344-Y348 PolarHBondContact O-N 3.37Å; L344-S403 VanDerWaalsContact CD1-OG 3.31Å; L344-S403 WeakPolarHBondContact CD1-OG 3.35Å |
| 345 | A | 91.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 16.2 Ų | 16.2 | 5% | 0.05 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -53.7 | -43.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y215 L342 V347 Y348 H349 F407 | Y215-A345 HydrophobicContact CE2-CB 4.37Å; L342-A345 WeakPolarHBondContact O-CB 3.46Å; L342-A345 PolarHBondContact O-N 3.23Å; A345-V347 PolarHBondContact O-N 3.12Å; A345-Y348 PolarHBondContact O-N 2.87Å; A345-H349 WeakPolarHBondContact O-CB 3.37Å; A345-H349 PolarHBondContact O-N 3.5Å; A345-F407 HydrophobicContact CB-CD1 4.17Å; A345-F407 HydrophobicContact CB-CE1 4.09Å |
| 346 | P | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.8 | -28.6 | 176.8 | -26.4 | 36.9 | 0 | 0 | 0 | 114.9 | Y215 L219 I249 I252 Y295 Y298 C350 | Y215-P346 HydrophobicContact CE2-CB 4.47Å; Y215-P346 HydrophobicContact CE2-CG 4.19Å; Y215-P346 VanDerWaalsContact OH-CA 3.25Å; Y215-P346 WeakPolarHBondContact OH-CA 3.42Å; Y215-P346 VanDerWaalsContact OH-CB 3.24Å; Y215-P346 WeakPolarHBondContact OH-CB 3.35Å; Y215-P346 WeakPolarHBondContact OH-CG 3.06Å; L219-P346 HydrophobicContact CD2-CG 4.1Å; I249-P346 HydrophobicContact CD1-CG 3.84Å; I252-P346 HydrophobicContact CD1-CB 4.11Å; I252-P346 HydrophobicContact CG2-CB 4.37Å; Y295-P346 HydrophobicContact CD1-CB 4.24Å; Y295-P346 WeakPolarHBondContact CD1-O 3.42Å; Y295-P346 HydrophobicContact CE1-CB 3.96Å; Y295-P346 WeakPolarHBondContact CE1-O 3.42Å; Y298-P346 HydrophobicContact CD1-CB 3.94Å; Y298-P346 HydrophobicContact CD1-CG 4.39Å; Y298-P346 HydrophobicContact CE1-CB 3.62Å; Y298-P346 HydrophobicContact CE1-CG 3.63Å; P346-C350 WeakPolarHBondContact O-CB 3.47Å; P346-C350 PolarHBondContact O-N 2.87Å |
| 347 | V | 94.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.006 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -69.4 | -47.8 | 179.2 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | A299 L303 L344 A345 C350 L351 M387 L400 | A299-V347 HydrophobicContact CB-CG2 4.27Å; L303-V347 HydrophobicContact CD1-CG1 4.25Å; L303-V347 HydrophobicContact CD1-CG2 4.43Å; L344-V347 WeakPolarHBondContact O-CB 3.31Å; L344-V347 PolarHBondContact O-N 2.98Å; A345-V347 PolarHBondContact O-N 3.12Å; V347-C350 PolarHBondContact O-N 3.37Å; V347-L351 HydrophobicContact CG1-CD1 4.42Å; V347-L351 WeakPolarHBondContact O-CG 2.99Å; V347-L351 PolarHBondContact O-N 3.04Å; V347-M387 HydrophobicContact CG1-CE 4.11Å; V347-L400 HydrophobicContact CB-CD2 4.38Å; V347-L400 HydrophobicContact CG1-CD1 4.49Å; V347-L400 HydrophobicContact CG1-CD2 3.96Å |
| 348 | Y | 90.6 | Very high | 93.3 | Very high | 23 Ų | 23 | 19.4 Ų | 19.4 | 9% | 0.09 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.3 | -42.3 | 177.7 | -61.3 | -77 | 0 | 0 | 0 | 112.2 | L344 A345 C350 L351 H352 L400 S403 A404 F407 Y408 | L344-Y348 HydrophobicContact CB-CD2 4.47Å; L344-Y348 HydrophobicContact CB-CE2 3.94Å; L344-Y348 VanDerWaalsContact O-CD2 3.26Å; L344-Y348 WeakPolarHBondContact O-CD2 3.44Å; L344-Y348 PolarHBondContact O-N 3.37Å; A345-Y348 PolarHBondContact O-N 2.87Å; Y348-C350 VanDerWaalsContact C-N 3.28Å; Y348-C350 PolarHBondContact O-N 2.98Å; Y348-L351 PolarHBondContact O-N 3.15Å; Y348-H352 PolarHBondContact O-N 3.46Å; Y348-L400 HydrophobicContact CE1-CB 4.37Å; Y348-L400 HydrophobicContact CE1-CD2 3.94Å; Y348-L400 HydrophobicContact CE2-CD2 4.15Å; Y348-L400 VanDerWaalsContact OH-C 3.26Å; Y348-L400 VanDerWaalsContact OH-CA 3.24Å; Y348-L400 WeakPolarHBondContact OH-CA 3.24Å; Y348-L400 PolarHBondContact OH-O 3.47Å; Y348-S403 VanDerWaalsContact OH-CB 3.29Å; Y348-S403 WeakPolarHBondContact OH-CB 3.1Å; Y348-A404 PolarHBondContact OH-N 3.4Å; Y348-F407 HydrophobicContact CD2-CB 4.01Å; Y348-F407 HydrophobicContact CE2-CB 4.12Å; Y348-Y408 VanDerWaalsContact CB-CD2 3.4Å; Y348-Y408 HydrophobicContact CD1-CD2 4.31Å; Y348-Y408 AromaticContact CG-CD2 3.98Å; Y348-Y408 HydrophobicContact CG-CD2 3.98Å; Y348-Y408 HydrophobicContact CG-CE2 4.41Å |
| 349 | H | 93.1 | Very high | 93.4 | Very high | 7 Ų | 7 | 21.4 Ų | 21.4 | 3% | 0.032 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.2 | -40.3 | 179.3 | -162.7 | 76.3 | 0 | 0 | 0 | 111.6 | Y215 A345 H352 Y353 | Y215-H349 HydrophobicContact CD1-CB 4.38Å; Y215-H349 AromaticContact CD1-CD2 3.4Å; Y215-H349 VanDerWaalsContact CD1-CD2 3.4Å; Y215-H349 WeakPolarHBondContact CD1-CD2 3.16Å; Y215-H349 AromaticContact CD1-CE1 3.72Å; Y215-H349 AromaticContact CD1-CG 3.57Å; Y215-H349 AromaticContact CD1-ND1 3.78Å; Y215-H349 AromaticContact CD1-NE2 3.49Å; Y215-H349 WeakPolarHBondContact CD1-NE2 3.44Å; Y215-H349 HydrophobicContact CD2-CB 4.12Å; Y215-H349 HydrophobicContact CE1-CB 4.14Å; Y215-H349 AromaticContact CE1-CD2 3.34Å; Y215-H349 WeakPolarHBondContact CE1-CD2 3.48Å; Y215-H349 AromaticContact CE1-CG 3.65Å; Y215-H349 AromaticContact CE1-NE2 3.88Å; Y215-H349 HydrophobicContact CE2-CB 3.89Å; Y215-H349 HydrophobicContact CG-CB 4.35Å; Y215-H349 AromaticContact CG-CE1 3.92Å; Y215-H349 AromaticContact CG-CG 3.74Å; Y215-H349 AromaticContact CG-ND1 3.66Å; Y215-H349 AromaticContact CZ-CD2 3.98Å; Y215-H349 AromaticContact CZ-CG 3.92Å; A345-H349 WeakPolarHBondContact O-CB 3.37Å; A345-H349 PolarHBondContact O-N 3.5Å; H349-H352 PolarHBondContact O-N 2.95Å; H349-Y353 AromaticContact CD2-CE2 3.5Å; H349-Y353 VanDerWaalsContact CD2-CE2 3.5Å; H349-Y353 WeakPolarHBondContact CD2-CE2 3.41Å; H349-Y353 AromaticContact CD2-CZ 3.59Å; H349-Y353 PolarHBondContact CD2-OH 2.92Å; H349-Y353 AromaticContact NE2-CE2 3.83Å; H349-Y353 AromaticContact NE2-CZ 3.39Å; H349-Y353 PolarHBondContact NE2-OH 2.8Å; H349-Y353 PolarHBondContact O-N 3.11Å |
| 350 | C | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.3 | -43 | 176.6 | -163.8 | 0 | 0 | 0 | 0 | 113 | Y295 P346 V347 Y348 H352 Y353 M387 | Y295-C350 HydrophobicContact CD1-CB 3.55Å; Y295-C350 HydrophobicContact CD2-CB 4.46Å; Y295-C350 HydrophobicContact CE1-CB 3.93Å; Y295-C350 HydrophobicContact CG-CB 3.85Å; P346-C350 WeakPolarHBondContact O-CB 3.47Å; P346-C350 PolarHBondContact O-N 2.87Å; V347-C350 PolarHBondContact O-N 3.37Å; Y348-C350 VanDerWaalsContact C-N 3.28Å; Y348-C350 PolarHBondContact O-N 2.98Å; C350-H352 PolarHBondContact O-N 3.13Å; C350-Y353 WeakPolarHBondContact O-CB 3.44Å; C350-Y353 PolarHBondContact O-N 3.44Å; C350-Y353 VanDerWaalsContact O-N 3.13Å; C350-M387 HydrophobicContact CB-CE 3.76Å; C350-M387 HydrophobicContact CB-SD 3.88Å; C350-M387 PolarHBondContact SG-SD 2.69Å |
| 351 | L | 93.1 | Very high | 93.7 | Very high | 50 Ų | 50 | 23.6 Ų | 23.6 | 26% | 0.262 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -60.9 | -33.5 | 176.8 | -69 | 173.1 | 0 | 0 | 0 | 112.2 | V347 Y348 F354 | V347-L351 HydrophobicContact CG1-CD1 4.42Å; V347-L351 WeakPolarHBondContact O-CG 2.99Å; V347-L351 PolarHBondContact O-N 3.04Å; Y348-L351 PolarHBondContact O-N 3.15Å; L351-F354 HydrophobicContact CD2-CD2 4.36Å; L351-F354 HydrophobicContact CD2-CE2 4.26Å; L351-F354 PolarHBondContact O-N 3.12Å |
| 352 | H | 92.1 | Very high | 93.8 | Very high | 41 Ų | 41 | 29 Ų | 29 | 19% | 0.19 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.6 | -32.8 | 176.5 | -178.4 | 56.4 | 0 | 0 | 0 | 113.3 | E211 Y348 H349 C350 F354 E355 L356 Y408 | E211-H352 IonicContact OE2-CD2 3.38Å; E211-H352 IonicContact OE2-NE2 2.81Å; E211-H352 PolarHBondContact OE2-NE2 2.98Å; Y348-H352 PolarHBondContact O-N 3.46Å; H349-H352 PolarHBondContact O-N 2.95Å; C350-H352 PolarHBondContact O-N 3.13Å; H352-F354 VanDerWaalsContact C-N 3.27Å; H352-F354 PolarHBondContact O-N 3.04Å; H352-E355 PolarHBondContact O-N 2.71Å; H352-L356 WeakPolarHBondContact O-CB 3.35Å; H352-L356 PolarHBondContact O-N 3.39Å; H352-Y408 HydrophobicContact CB-CE1 3.84Å; H352-Y408 WeakPolarHBondContact CB-OH 3.25Å; H352-Y408 AromaticContact CG-CE1 3.92Å |
| 353 | Y | 94 | Very high | 93.9 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.7 | -44.2 | 175.1 | -75.6 | -58.2 | 0 | 0 | 0 | 112.3 | F208 L259 F283 F292 Y295 H349 C350 E355 L356 L357 | F208-Y353 HydrophobicContact CE1-CE1 4.16Å; F208-Y353 HydrophobicContact CE2-CD1 4.06Å; F208-Y353 AromaticContact CE2-CE1 3.56Å; F208-Y353 HydrophobicContact CE2-CE1 3.56Å; F208-Y353 HydrophobicContact CZ-CD1 4.03Å; F208-Y353 AromaticContact CZ-CE1 3.19Å; F208-Y353 HydrophobicContact CZ-CE1 3.19Å; F208-Y353 AromaticContact CZ-CZ 3.91Å; L259-Y353 HydrophobicContact CD2-CE1 3.52Å; L259-Y353 WeakPolarHBondContact CD2-OH 3.35Å; F283-Y353 HydrophobicContact CE1-CD1 4.06Å; F283-Y353 HydrophobicContact CE1-CE1 4.19Å; F292-Y353 HydrophobicContact CD1-CD2 4.43Å; F292-Y353 AromaticContact CE1-CD2 3.92Å; F292-Y353 HydrophobicContact CE1-CD2 3.92Å; F292-Y353 HydrophobicContact CE1-CE2 4.03Å; F292-Y353 HydrophobicContact CE1-CG 4.36Å; Y295-Y353 HydrophobicContact CE2-CE2 4.35Å; H349-Y353 AromaticContact CD2-CE2 3.5Å; H349-Y353 VanDerWaalsContact CD2-CE2 3.5Å; H349-Y353 WeakPolarHBondContact CD2-CE2 3.41Å; H349-Y353 AromaticContact CD2-CZ 3.59Å; H349-Y353 PolarHBondContact CD2-OH 2.92Å; H349-Y353 AromaticContact NE2-CE2 3.83Å; H349-Y353 AromaticContact NE2-CZ 3.39Å; H349-Y353 PolarHBondContact NE2-OH 2.8Å; H349-Y353 PolarHBondContact O-N 3.11Å; C350-Y353 WeakPolarHBondContact O-CB 3.44Å; C350-Y353 PolarHBondContact O-N 3.44Å; C350-Y353 VanDerWaalsContact O-N 3.13Å; Y353-E355 VanDerWaalsContact C-N 3.28Å; Y353-E355 PolarHBondContact O-N 3.32Å; Y353-L356 PolarHBondContact O-N 2.88Å; Y353-L357 WeakPolarHBondContact O-CB 3.41Å; Y353-L357 VanDerWaalsContact O-CG 3.28Å; Y353-L357 WeakPolarHBondContact O-CG 3.34Å; Y353-L357 PolarHBondContact O-N 3.28Å |
| 354 | F | 95 | Very high | 93.9 | Very high | 13 Ų | 13 | 32.3 Ų | 32.3 | 6% | 0.057 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.5 | -35.5 | -176.9 | -51.3 | -47.3 | 0 | 0 | 0 | 112.5 | L351 H352 K358 L380 V383 Q384 | L351-F354 HydrophobicContact CD2-CD2 4.36Å; L351-F354 HydrophobicContact CD2-CE2 4.26Å; L351-F354 PolarHBondContact O-N 3.12Å; H352-F354 VanDerWaalsContact C-N 3.27Å; H352-F354 PolarHBondContact O-N 3.04Å; F354-K358 WeakPolarHBondContact O-CG 3.32Å; F354-L380 HydrophobicContact CE1-CB 4.16Å; F354-V383 HydrophobicContact CZ-CG1 4.24Å; F354-Q384 HydrophobicContact CB-CG 4.39Å; F354-Q384 HydrophobicContact CD1-CB 4.02Å; F354-Q384 HydrophobicContact CD1-CG 4.23Å; F354-Q384 HydrophobicContact CD2-CB 4.07Å; F354-Q384 HydrophobicContact CD2-CG 3.67Å; F354-Q384 HydrophobicContact CE1-CB 3.87Å; F354-Q384 HydrophobicContact CE1-CG 4.48Å; F354-Q384 HydrophobicContact CE2-CB 3.91Å; F354-Q384 HydrophobicContact CE2-CG 3.94Å; F354-Q384 HydrophobicContact CG-CB 4.13Å; F354-Q384 HydrophobicContact CG-CG 3.84Å; F354-Q384 HydrophobicContact CZ-CB 3.81Å; F354-Q384 HydrophobicContact CZ-CG 4.34Å |
| 355 | E | 92.1 | Very high | 93.8 | Very high | 96 Ų | 96 | 39.6 Ų | 39.6 | 45% | 0.449 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -74.4 | -44.3 | 176.7 | -177.8 | 53.5 | -146.9 | 0 | 0 | 111.3 | H352 Y353 L357 K358 Q359 | H352-E355 PolarHBondContact O-N 2.71Å; Y353-E355 VanDerWaalsContact C-N 3.28Å; Y353-E355 PolarHBondContact O-N 3.32Å; E355-L357 PolarHBondContact O-N 2.82Å; E355-K358 PolarHBondContact O-N 3.39Å; E355-Q359 PolarHBondContact O-N 3.27Å; E355-Q359 PolarHBondContact OE1-NE2 3.45Å |
| 356 | L | 93.7 | Very high | 93.7 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.4 | -46.7 | 177.8 | -179.5 | 70.4 | 0 | 0 | 0 | 112 | L204 F208 H352 Y353 K358 Q359 L360 | L204-L356 HydrophobicContact CB-CD1 4.31Å; F208-L356 HydrophobicContact CB-CD1 4.46Å; F208-L356 HydrophobicContact CB-CD2 3.82Å; F208-L356 HydrophobicContact CD1-CD2 3.93Å; F208-L356 HydrophobicContact CD2-CD2 3.33Å; F208-L356 HydrophobicContact CE1-CD2 4.48Å; F208-L356 HydrophobicContact CE2-CD2 3.95Å; F208-L356 HydrophobicContact CG-CD2 3.36Å; H352-L356 WeakPolarHBondContact O-CB 3.35Å; H352-L356 PolarHBondContact O-N 3.39Å; Y353-L356 PolarHBondContact O-N 2.88Å; L356-K358 VanDerWaalsContact C-N 3.27Å; L356-K358 PolarHBondContact O-N 3.13Å; L356-Q359 PolarHBondContact O-N 3Å; L356-Q359 VanDerWaalsContact O-N 3.11Å; L356-L360 HydrophobicContact CG-CD1 4.18Å; L356-L360 HydrophobicContact CG-CG 4.4Å; L356-L360 WeakPolarHBondContact O-CG 3.5Å; L356-L360 PolarHBondContact O-N 2.75Å |
| 357 | L | 95.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.1 | -36.8 | -178.7 | -73.4 | 174.7 | 0 | 0 | 0 | 112.5 | F283 Y353 E355 L360 E361 L373 I377 L380 | F283-L357 HydrophobicContact CB-CD2 3.99Å; F283-L357 HydrophobicContact CD1-CD2 3.73Å; F283-L357 HydrophobicContact CD2-CD2 3.77Å; F283-L357 HydrophobicContact CE1-CD2 4.07Å; F283-L357 HydrophobicContact CE2-CD2 4.12Å; F283-L357 HydrophobicContact CG-CD2 3.57Å; F283-L357 HydrophobicContact CZ-CD2 4.26Å; Y353-L357 WeakPolarHBondContact O-CB 3.41Å; Y353-L357 VanDerWaalsContact O-CG 3.28Å; Y353-L357 WeakPolarHBondContact O-CG 3.34Å; Y353-L357 PolarHBondContact O-N 3.28Å; E355-L357 PolarHBondContact O-N 2.82Å; L357-L360 PolarHBondContact O-N 3.28Å; L357-E361 PolarHBondContact O-N 3.08Å; L357-L373 HydrophobicContact CD2-CD2 3.97Å; L357-I377 HydrophobicContact CB-CD1 4.19Å; L357-I377 HydrophobicContact CB-CG1 3.78Å; L357-I377 HydrophobicContact CD1-CG1 4.4Å; L357-L380 HydrophobicContact CD1-CD1 3.66Å |
| 358 | K | 94.5 | Very high | 93.4 | Very high | 95 Ų | 95 | 53 Ų | 53 | 41% | 0.413 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 174.9 | -69.7 | 173.7 | -175 | 174 | 0 | 111.7 | F354 E355 L356 L360 E361 E362 | F354-K358 WeakPolarHBondContact O-CG 3.32Å; E355-K358 PolarHBondContact O-N 3.39Å; L356-K358 VanDerWaalsContact C-N 3.27Å; L356-K358 PolarHBondContact O-N 3.13Å; K358-L360 VanDerWaalsContact C-N 3.33Å; K358-L360 PolarHBondContact O-N 3.1Å; K358-E361 PolarHBondContact O-N 3.22Å; K358-E362 PolarHBondContact O-N 3.04Å |
| 359 | Q | 93.7 | Very high | 93.5 | Very high | 49 Ų | 49 | 52 Ų | 52 | 23% | 0.229 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.4 | -36 | 177.5 | -65.4 | 179 | 33.1 | 0 | 0 | 112.3 | L204 E355 L356 K363 | L204-Q359 HydrophobicContact CD1-CB 3.86Å; E355-Q359 PolarHBondContact O-N 3.27Å; E355-Q359 PolarHBondContact OE1-NE2 3.45Å; L356-Q359 PolarHBondContact O-N 3Å; L356-Q359 VanDerWaalsContact O-N 3.11Å; Q359-K363 WeakPolarHBondContact O-CB 3.37Å; Q359-K363 WeakPolarHBondContact O-CG 3.38Å; Q359-K363 PolarHBondContact O-N 2.8Å; Q359-K363 VanDerWaalsContact O-N 3.11Å |
| 360 | L | 95.5 | Very high | 93.6 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 173.7 | -66.5 | 175.9 | 0 | 0 | 0 | 111.4 | Y201 L204 V205 V279 F283 L356 L357 K358 E362 K363 S364 L373 | Y201-L360 HydrophobicContact CD1-CD2 4.31Å; Y201-L360 HydrophobicContact CD2-CB 4.48Å; Y201-L360 HydrophobicContact CD2-CD2 3.91Å; Y201-L360 HydrophobicContact CE1-CD2 4.15Å; Y201-L360 HydrophobicContact CE2-CB 3.96Å; Y201-L360 HydrophobicContact CE2-CD2 3.79Å; Y201-L360 HydrophobicContact CE2-CG 4.45Å; Y201-L360 WeakPolarHBondContact CE2-O 3.34Å; Y201-L360 HydrophobicContact CG-CD2 4.2Å; L204-L360 HydrophobicContact CB-CD2 4.19Å; L204-L360 HydrophobicContact CD1-CD2 4.37Å; V205-L360 HydrophobicContact CG2-CD2 4.09Å; V279-L360 HydrophobicContact CG2-CD1 4.22Å; F283-L360 HydrophobicContact CE2-CD1 4.25Å; L356-L360 HydrophobicContact CG-CD1 4.18Å; L356-L360 HydrophobicContact CG-CG 4.4Å; L356-L360 WeakPolarHBondContact O-CG 3.5Å; L356-L360 PolarHBondContact O-N 2.75Å; L357-L360 PolarHBondContact O-N 3.28Å; K358-L360 VanDerWaalsContact C-N 3.33Å; K358-L360 PolarHBondContact O-N 3.1Å; L360-E362 VanDerWaalsContact C-N 3.32Å; L360-E362 PolarHBondContact O-N 2.97Å; L360-K363 PolarHBondContact O-N 3.08Å; L360-S364 WeakPolarHBondContact O-CB 3.38Å; L360-S364 PolarHBondContact O-N 3.3Å; L360-L373 HydrophobicContact CB-CD1 3.9Å; L360-L373 HydrophobicContact CB-CD2 3.97Å; L360-L373 HydrophobicContact CD1-CD2 4.29Å |
| 361 | E | 96 | Very high | 93.6 | Very high | 48 Ų | 48 | 57.7 Ų | 57.7 | 22% | 0.224 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 178.1 | -169.5 | -82.2 | 169.4 | 0 | 0 | 112.3 | L357 K358 K370 L373 K374 I377 | L357-E361 PolarHBondContact O-N 3.08Å; K358-E361 PolarHBondContact O-N 3.22Å; E361-K370 HydrophobicContact CG-CG 4.24Å; E361-K370 WeakPolarHBondContact O-CE 3.48Å; E361-K370 PolarHBondContact O-NZ 3.11Å; E361-K370 WeakPolarHBondContact OE1-CE 3.27Å; E361-K370 IonicContact OE1-NZ 3.04Å; E361-K370 PolarHBondContact OE1-NZ 2.94Å; E361-K370 IonicContact OE2-NZ 3.35Å; E361-L373 HydrophobicContact CB-CB 4.26Å; E361-L373 HydrophobicContact CG-CB 4.48Å; E361-K374 HydrophobicContact CG-CG 4.02Å; E361-K374 WeakPolarHBondContact OE1-CE 3.29Å; E361-I377 HydrophobicContact CB-CD1 4.22Å |
| 362 | E | 94.3 | Very high | 93.7 | Very high | 144 Ų | 144 | 56 Ų | 56 | 67% | 0.673 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -68.2 | -38.4 | 177.7 | -172.1 | -178 | 173.4 | 0 | 0 | 111.8 | K358 L360 | K358-E362 PolarHBondContact O-N 3.04Å; L360-E362 VanDerWaalsContact C-N 3.32Å; L360-E362 PolarHBondContact O-N 2.97Å |
| 363 | K | 93.5 | Very high | 94 | Very high | 77 Ų | 77 | 54.1 Ų | 54.1 | 34% | 0.335 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -98.1 | -3.8 | -172.1 | -67.5 | 172.1 | -179.2 | -73.2 | 0 | 115.2 | Q199 Y201 L204 Q359 L360 E365 | Q199-K363 WeakPolarHBondContact O-CE 3.5Å; Q199-K363 PolarHBondContact O-NZ 3Å; Y201-K363 HydrophobicContact CD2-CB 4.27Å; L204-K363 HydrophobicContact CD1-CD 3.61Å; Q359-K363 WeakPolarHBondContact O-CB 3.37Å; Q359-K363 WeakPolarHBondContact O-CG 3.38Å; Q359-K363 PolarHBondContact O-N 2.8Å; Q359-K363 VanDerWaalsContact O-N 3.11Å; L360-K363 PolarHBondContact O-N 3.08Å; K363-E365 PolarHBondContact O-N 2.91Å |
| 364 | S | 93.7 | Very high | 94.1 | Very high | 15 Ų | 15 | 57.4 Ų | 57.4 | 11% | 0.105 | 27% | 0.269 | C | S | . | . | trans | -68.2 | 128.8 | -179.2 | -170.4 | 0 | 0 | 0 | 0 | 111.4 | L360 D366 D369 | L360-S364 WeakPolarHBondContact O-CB 3.38Å; L360-S364 PolarHBondContact O-N 3.3Å; S364-D366 PolarHBondContact OG-O 2.84Å; S364-D369 PolarHBondContact OG-OD2 2.84Å | ||
| 365 | E | 91.5 | Very high | 94.1 | Very high | 155 Ų | 155 | 61.9 Ų | 61.9 | 72% | 0.724 | 29% | 0.29 | S | S | * | . | trans | -91.1 | -9.3 | 176.6 | -61 | -172.2 | -173 | 0 | 0 | 112.7 | P275 H276 K363 | P275-E365 HydrophobicContact CB-CB 4.21Å; P275-E365 WeakPolarHBondContact CB-OE2 3.35Å; P275-E365 HydrophobicContact CG-CB 4.15Å; H276-E365 PolarHBondContact NE2-N 3.19Å; K363-E365 PolarHBondContact O-N 2.91Å | ||
| 366 | D | 91.3 | Very high | 94.3 | Very high | 51 Ų | 51 | 57.3 Ų | 57.3 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | trans | -107.7 | 132 | 178.8 | -177.3 | 77.9 | 0 | 0 | 0 | 111.9 | L278 S364 E368 D369 K370 | L278-D366 HydrophobicContact CD2-CB 3.69Å; S364-D366 PolarHBondContact OG-O 2.84Å; D366-E368 WeakPolarHBondContact OD2-CA 3.42Å; D366-E368 WeakPolarHBondContact OD2-CB 3.26Å; D366-E368 PolarHBondContact OD2-N 2.88Å; D366-D369 HydrophobicContact CB-CB 4.06Å; D366-D369 PolarHBondContact OD2-N 3.35Å; D366-K370 WeakPolarHBondContact O-CB 3.36Å; D366-K370 PolarHBondContact O-N 2.8Å; D366-K370 VanDerWaalsContact O-N 3.1Å | ||
| 367 | Q | 92.2 | Very high | 94.4 | Very high | 123 Ų | 123 | 58.8 Ų | 58.8 | 58% | 0.575 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -72.8 | -31.6 | -175.2 | -175.4 | 60.8 | 57.1 | 0 | 0 | 112.9 | E371 | Q367-E371 PolarHBondContact NE2-OE1 2.96Å; Q367-E371 WeakPolarHBondContact O-CG 3.43Å; Q367-E371 PolarHBondContact O-N 3.28Å |
| 368 | E | 90 | Very high | 94.4 | Very high | 115 Ų | 115 | 63 Ų | 63 | 54% | 0.537 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.3 | -44.3 | 179.4 | -169.1 | 167.1 | -165.2 | 0 | 0 | 109.5 | D366 K370 E371 C372 K735 | D366-E368 WeakPolarHBondContact OD2-CA 3.42Å; D366-E368 WeakPolarHBondContact OD2-CB 3.26Å; D366-E368 PolarHBondContact OD2-N 2.88Å; E368-K370 VanDerWaalsContact C-N 3.35Å; E368-K370 PolarHBondContact O-N 3.46Å; E368-E371 PolarHBondContact O-N 2.97Å; E368-C372 PolarHBondContact O-N 3.19Å; E368-C372 VanDerWaalsContact O-N 3.17Å; E368-C372 PolarHBondContact O-SG 2.92Å; E368-K735 IonicContact OE1-NZ 2.77Å; E368-K735 PolarHBondContact OE1-NZ 3.25Å; E368-K735 IonicContact OE2-NZ 3.35Å; E368-K735 PolarHBondContact OE2-NZ 3.2Å |
| 369 | D | 94 | Very high | 94.4 | Very high | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.5 | -43.8 | 173.6 | -175.8 | 66.3 | 0 | 0 | 0 | 112.6 | Y201 H276 L278 V279 G280 S364 D366 E371 C372 L373 | Y201-D369 PolarHBondContact OH-OD1 3.44Å; Y201-D369 PolarHBondContact OH-OD2 3.17Å; H276-D369 IonicContact CE1-OD2 2.85Å; L278-D369 VanDerWaalsContact C-OD1 3.24Å; L278-D369 WeakPolarHBondContact CA-OD1 3.48Å; L278-D369 HydrophobicContact CB-CB 4.28Å; L278-D369 HydrophobicContact CD2-CB 3.99Å; V279-D369 PolarHBondContact N-OD1 3Å; G280-D369 WeakPolarHBondContact CA-OD1 3.37Å; G280-D369 PolarHBondContact N-OD1 3.39Å; S364-D369 PolarHBondContact OG-OD2 2.84Å; D366-D369 HydrophobicContact CB-CB 4.06Å; D366-D369 PolarHBondContact OD2-N 3.35Å; D369-E371 VanDerWaalsContact C-N 3.31Å; D369-E371 PolarHBondContact O-N 3.44Å; D369-C372 PolarHBondContact O-N 2.84Å; D369-L373 WeakPolarHBondContact O-CG 3.22Å; D369-L373 PolarHBondContact O-N 3.03Å |
| 370 | K | 95.3 | Very high | 94.4 | Very high | 50 Ų | 50 | 58.1 Ų | 58.1 | 22% | 0.217 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.3 | -37.8 | 177.4 | -171.9 | 167.4 | -176.2 | 134 | 0 | 113 | E361 D366 E368 K374 | E361-K370 HydrophobicContact CG-CG 4.24Å; E361-K370 WeakPolarHBondContact O-CE 3.48Å; E361-K370 PolarHBondContact O-NZ 3.11Å; E361-K370 WeakPolarHBondContact OE1-CE 3.27Å; E361-K370 IonicContact OE1-NZ 3.04Å; E361-K370 PolarHBondContact OE1-NZ 2.94Å; E361-K370 IonicContact OE2-NZ 3.35Å; D366-K370 WeakPolarHBondContact O-CB 3.36Å; D366-K370 PolarHBondContact O-N 2.8Å; D366-K370 VanDerWaalsContact O-N 3.1Å; E368-K370 VanDerWaalsContact C-N 3.35Å; E368-K370 PolarHBondContact O-N 3.46Å; K370-K374 WeakPolarHBondContact O-CG 3.39Å; K370-K374 PolarHBondContact O-N 2.86Å; K370-K374 VanDerWaalsContact O-N 3.15Å |
| 371 | E | 95.2 | Very high | 94.3 | Very high | 75 Ų | 75 | 62 Ų | 62 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.3 | -40.9 | 176.5 | -67 | -53.1 | 134.3 | 0 | 0 | 112 | Q367 E368 D369 L373 K374 Q375 | Q367-E371 PolarHBondContact NE2-OE1 2.96Å; Q367-E371 WeakPolarHBondContact O-CG 3.43Å; Q367-E371 PolarHBondContact O-N 3.28Å; E368-E371 PolarHBondContact O-N 2.97Å; D369-E371 VanDerWaalsContact C-N 3.31Å; D369-E371 PolarHBondContact O-N 3.44Å; E371-L373 VanDerWaalsContact C-N 3.31Å; E371-L373 PolarHBondContact O-N 3.09Å; E371-K374 PolarHBondContact O-N 3.02Å; E371-K374 IonicContact OE1-NZ 2.68Å; E371-K374 PolarHBondContact OE1-NZ 2.94Å; E371-K374 IonicContact OE2-NZ 3.4Å; E371-Q375 WeakPolarHBondContact O-CG 3.16Å; E371-Q375 PolarHBondContact O-N 3.22Å |
| 372 | C | 94.9 | Very high | 94.2 | Very high | 16 Ų | 16 | 65.9 Ų | 65.9 | 11% | 0.108 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 173.1 | -64.1 | 0 | 0 | 0 | 0 | 111.7 | G280 E284 E368 D369 K374 Q375 A376 | G280-C372 VanDerWaalsContact C-CB 3.43Å; E284-C372 HydrophobicContact CB-CB 4.29Å; E284-C372 WeakPolarHBondContact OE2-CB 3.45Å; E284-C372 PolarHBondContact OE2-SG 2.61Å; E368-C372 PolarHBondContact O-N 3.19Å; E368-C372 VanDerWaalsContact O-N 3.17Å; E368-C372 PolarHBondContact O-SG 2.92Å; D369-C372 PolarHBondContact O-N 2.84Å; C372-K374 PolarHBondContact O-N 2.81Å; C372-Q375 PolarHBondContact O-N 3.17Å; C372-A376 WeakPolarHBondContact O-CB 3.36Å; C372-A376 PolarHBondContact O-N 2.8Å |
| 373 | L | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 177.3 | -71.7 | 165.9 | 0 | 0 | 0 | 112.2 | Y201 L357 L360 E361 D369 E371 Q375 A376 I377 | Y201-L373 HydrophobicContact CE2-CD1 4.35Å; L357-L373 HydrophobicContact CD2-CD2 3.97Å; L360-L373 HydrophobicContact CB-CD1 3.9Å; L360-L373 HydrophobicContact CB-CD2 3.97Å; L360-L373 HydrophobicContact CD1-CD2 4.29Å; E361-L373 HydrophobicContact CB-CB 4.26Å; E361-L373 HydrophobicContact CG-CB 4.48Å; D369-L373 WeakPolarHBondContact O-CG 3.22Å; D369-L373 PolarHBondContact O-N 3.03Å; E371-L373 VanDerWaalsContact C-N 3.31Å; E371-L373 PolarHBondContact O-N 3.09Å; L373-Q375 VanDerWaalsContact C-N 3.35Å; L373-Q375 PolarHBondContact O-N 2.69Å; L373-A376 PolarHBondContact O-N 2.77Å; L373-I377 VanDerWaalsContact O-CG1 3.25Å; L373-I377 WeakPolarHBondContact O-CG1 3.18Å; L373-I377 PolarHBondContact O-N 2.68Å |
| 374 | K | 96.5 | Very high | 94.1 | Very high | 71 Ų | 71 | 56.7 Ų | 56.7 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 175.3 | -72.3 | 174.1 | -170.4 | 163.7 | 0 | 112.2 | E361 K370 E371 C372 I377 T378 | E361-K374 HydrophobicContact CG-CG 4.02Å; E361-K374 WeakPolarHBondContact OE1-CE 3.29Å; K370-K374 WeakPolarHBondContact O-CG 3.39Å; K370-K374 PolarHBondContact O-N 2.86Å; K370-K374 VanDerWaalsContact O-N 3.15Å; E371-K374 PolarHBondContact O-N 3.02Å; E371-K374 IonicContact OE1-NZ 2.68Å; E371-K374 PolarHBondContact OE1-NZ 2.94Å; E371-K374 IonicContact OE2-NZ 3.4Å; C372-K374 PolarHBondContact O-N 2.81Å; K374-I377 PolarHBondContact O-N 3.4Å; K374-T378 WeakPolarHBondContact O-CB 3.33Å; K374-T378 PolarHBondContact O-N 2.81Å; K374-T378 PolarHBondContact O-OG1 2.97Å |
| 375 | Q | 95.3 | Very high | 94.1 | Very high | 107 Ų | 107 | 59 Ų | 59 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 176.9 | -70.7 | -172.1 | 68.5 | 0 | 0 | 111.2 | E284 E371 C372 L373 I377 T378 A379 | E284-Q375 HydrophobicContact CG-CB 4.23Å; E284-Q375 PolarHBondContact OE1-NE2 2.85Å; E284-Q375 PolarHBondContact OE1-OE1 3.2Å; E371-Q375 WeakPolarHBondContact O-CG 3.16Å; E371-Q375 PolarHBondContact O-N 3.22Å; C372-Q375 PolarHBondContact O-N 3.17Å; L373-Q375 VanDerWaalsContact C-N 3.35Å; L373-Q375 PolarHBondContact O-N 2.69Å; Q375-I377 PolarHBondContact O-N 2.68Å; Q375-T378 PolarHBondContact O-N 3.05Å; Q375-A379 WeakPolarHBondContact O-CB 3.42Å; Q375-A379 PolarHBondContact O-N 3.03Å |
| 376 | A | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.1 | -48.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F283 A287 C372 L373 T378 A379 L380 | F283-A376 HydrophobicContact CB-CB 3.84Å; A287-A376 HydrophobicContact CB-CB 4.36Å; C372-A376 WeakPolarHBondContact O-CB 3.36Å; C372-A376 PolarHBondContact O-N 2.8Å; L373-A376 PolarHBondContact O-N 2.77Å; A376-T378 VanDerWaalsContact C-N 3.3Å; A376-T378 PolarHBondContact O-N 3.36Å; A376-A379 PolarHBondContact O-N 3Å; A376-L380 WeakPolarHBondContact O-CB 3.34Å; A376-L380 VanDerWaalsContact O-CG 3.29Å; A376-L380 WeakPolarHBondContact O-CG 3.26Å; A376-L380 PolarHBondContact O-N 2.98Å |
| 377 | I | 96.5 | Very high | 94.2 | Very high | 35 Ų | 35 | 49.9 Ų | 49.9 | 18% | 0.179 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.7 | -46 | 176 | -68.9 | 165.2 | 0 | 0 | 0 | 110.3 | L357 E361 L373 K374 Q375 L380 L381 | L357-I377 HydrophobicContact CB-CD1 4.19Å; L357-I377 HydrophobicContact CB-CG1 3.78Å; L357-I377 HydrophobicContact CD1-CG1 4.4Å; E361-I377 HydrophobicContact CB-CD1 4.22Å; L373-I377 VanDerWaalsContact O-CG1 3.25Å; L373-I377 WeakPolarHBondContact O-CG1 3.18Å; L373-I377 PolarHBondContact O-N 2.68Å; K374-I377 PolarHBondContact O-N 3.4Å; Q375-I377 PolarHBondContact O-N 2.68Å; I377-L380 PolarHBondContact O-N 2.68Å; I377-L381 WeakPolarHBondContact O-CG 3.29Å; I377-L381 PolarHBondContact O-N 3.44Å |
| 378 | T | 95.1 | Very high | 94.2 | Very high | 90 Ų | 90 | 48.6 Ų | 48.6 | 55% | 0.552 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63.1 | -45.7 | -178.6 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | K374 Q375 A376 L380 L381 | K374-T378 WeakPolarHBondContact O-CB 3.33Å; K374-T378 PolarHBondContact O-N 2.81Å; K374-T378 PolarHBondContact O-OG1 2.97Å; Q375-T378 PolarHBondContact O-N 3.05Å; A376-T378 VanDerWaalsContact C-N 3.3Å; A376-T378 PolarHBondContact O-N 3.36Å; T378-L380 VanDerWaalsContact C-N 3.26Å; T378-L380 PolarHBondContact O-N 3.39Å; T378-L381 HydrophobicContact CG2-CD1 4.49Å; T378-L381 WeakPolarHBondContact O-CB 3.38Å; T378-L381 WeakPolarHBondContact O-CG 3.41Å; T378-L381 PolarHBondContact O-N 2.87Å |
| 379 | A | 93.7 | Very high | 94.3 | Very high | 39 Ų | 39 | 50.5 Ų | 50.5 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.4 | -32.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A287 Q375 A376 | A287-A379 HydrophobicContact CB-CB 3.81Å; Q375-A379 WeakPolarHBondContact O-CB 3.42Å; Q375-A379 PolarHBondContact O-N 3.03Å; A376-A379 PolarHBondContact O-N 3Å |
| 380 | L | 95 | Very high | 94.3 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -83.4 | -6.5 | 179.7 | -69.3 | 175.1 | 0 | 0 | 0 | 115 | A287 F292 F354 L357 A376 I377 T378 N382 V383 Q384 | A287-L380 HydrophobicContact CB-CD1 4.44Å; A287-L380 HydrophobicContact CB-CD2 4.21Å; A287-L380 HydrophobicContact CB-CG 3.96Å; F292-L380 HydrophobicContact CB-CD2 3.65Å; F292-L380 HydrophobicContact CD1-CD2 4.38Å; F292-L380 HydrophobicContact CD2-CD2 3.6Å; F292-L380 HydrophobicContact CE2-CD2 4.3Å; F292-L380 HydrophobicContact CG-CD2 3.63Å; F354-L380 HydrophobicContact CE1-CB 4.16Å; L357-L380 HydrophobicContact CD1-CD1 3.66Å; A376-L380 WeakPolarHBondContact O-CB 3.34Å; A376-L380 VanDerWaalsContact O-CG 3.29Å; A376-L380 WeakPolarHBondContact O-CG 3.26Å; A376-L380 PolarHBondContact O-N 2.98Å; I377-L380 PolarHBondContact O-N 2.68Å; T378-L380 VanDerWaalsContact C-N 3.26Å; T378-L380 PolarHBondContact O-N 3.39Å; L380-N382 PolarHBondContact O-N 3.32Å; L380-V383 PolarHBondContact O-N 2.99Å; L380-V383 VanDerWaalsContact O-N 3.12Å; L380-Q384 WeakPolarHBondContact O-CB 3.34Å; L380-Q384 PolarHBondContact O-N 3.43Å |
| 381 | L | 93.1 | Very high | 94 | Very high | 85 Ų | 85 | 49.3 Ų | 49.3 | 45% | 0.445 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57 | -35.1 | -178.4 | -72 | 176.8 | 0 | 0 | 0 | 113.5 | I377 T378 S385 | I377-L381 WeakPolarHBondContact O-CG 3.29Å; I377-L381 PolarHBondContact O-N 3.44Å; T378-L381 HydrophobicContact CG2-CD1 4.49Å; T378-L381 WeakPolarHBondContact O-CB 3.38Å; T378-L381 WeakPolarHBondContact O-CG 3.41Å; T378-L381 PolarHBondContact O-N 2.87Å; L381-S385 WeakPolarHBondContact O-CB 3.44Å; L381-S385 PolarHBondContact O-N 3.43Å; L381-S385 PolarHBondContact O-OG 2.91Å |
| 382 | N | 92.9 | Very high | 93.7 | Very high | 128 Ų | 128 | 49.4 Ų | 49.4 | 68% | 0.684 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -66.7 | -46.4 | 177.9 | -70 | -29.4 | 0 | 0 | 0 | 111.3 | L380 S385 G386 | L380-N382 PolarHBondContact O-N 3.32Å; N382-S385 PolarHBondContact O-OG 3.47Å; N382-S385 VanDerWaalsContact O-OG 3.1Å; N382-G386 PolarHBondContact O-N 3.4Å |
| 383 | V | 93.7 | Very high | 93.4 | Very high | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.03 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 177.2 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | E296 F354 L380 G386 M387 | E296-V383 HydrophobicContact CB-CG1 4.41Å; F354-V383 HydrophobicContact CZ-CG1 4.24Å; L380-V383 PolarHBondContact O-N 2.99Å; L380-V383 VanDerWaalsContact O-N 3.12Å; V383-G386 PolarHBondContact O-N 2.97Å; V383-M387 HydrophobicContact CG1-CG 4.37Å; V383-M387 HydrophobicContact CG1-SD 4.19Å; V383-M387 WeakPolarHBondContact O-CB 3.46Å; V383-M387 WeakPolarHBondContact O-CG 3.19Å; V383-M387 PolarHBondContact O-N 3.3Å |
| 384 | Q | 93.7 | Very high | 92.7 | Very high | 23 Ų | 23 | 59.6 Ų | 59.6 | 11% | 0.107 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.3 | -54.7 | 178 | -177.1 | -175.4 | -10.4 | 0 | 0 | 111.3 | F354 L380 G386 M387 E388 | F354-Q384 HydrophobicContact CB-CG 4.39Å; F354-Q384 HydrophobicContact CD1-CB 4.02Å; F354-Q384 HydrophobicContact CD1-CG 4.23Å; F354-Q384 HydrophobicContact CD2-CB 4.07Å; F354-Q384 HydrophobicContact CD2-CG 3.67Å; F354-Q384 HydrophobicContact CE1-CB 3.87Å; F354-Q384 HydrophobicContact CE1-CG 4.48Å; F354-Q384 HydrophobicContact CE2-CB 3.91Å; F354-Q384 HydrophobicContact CE2-CG 3.94Å; F354-Q384 HydrophobicContact CG-CB 4.13Å; F354-Q384 HydrophobicContact CG-CG 3.84Å; F354-Q384 HydrophobicContact CZ-CB 3.81Å; F354-Q384 HydrophobicContact CZ-CG 4.34Å; L380-Q384 WeakPolarHBondContact O-CB 3.34Å; L380-Q384 PolarHBondContact O-N 3.43Å; Q384-G386 VanDerWaalsContact C-N 3.32Å; Q384-G386 PolarHBondContact O-N 3.3Å; Q384-M387 PolarHBondContact O-N 2.89Å; Q384-E388 HydrophobicContact CG-CG 4.41Å; Q384-E388 WeakPolarHBondContact CG-OE1 3.32Å; Q384-E388 PolarHBondContact NE2-OE1 3.14Å; Q384-E388 WeakPolarHBondContact O-CB 3.42Å; Q384-E388 WeakPolarHBondContact O-CG 3.33Å; Q384-E388 PolarHBondContact O-N 3.04Å |
| 385 | S | 93.1 | Very high | 92.1 | Very high | 64 Ų | 64 | 61.2 Ų | 61.2 | 45% | 0.448 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64 | -36.3 | -179.6 | 60.2 | 0 | 0 | 0 | 0 | 112.6 | L381 N382 K389 | L381-S385 WeakPolarHBondContact O-CB 3.44Å; L381-S385 PolarHBondContact O-N 3.43Å; L381-S385 PolarHBondContact O-OG 2.91Å; N382-S385 PolarHBondContact O-OG 3.47Å; N382-S385 VanDerWaalsContact O-OG 3.1Å; S385-K389 VanDerWaalsContact O-CB 3.31Å; S385-K389 WeakPolarHBondContact O-CB 3.4Å; S385-K389 PolarHBondContact O-N 3.14Å |
| 386 | G | 93.6 | Very high | 91.5 | Very high | 14 Ų | 14 | 56.2 Ų | 56.2 | 14% | 0.144 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.5 | -50.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N382 V383 Q384 K389 I390 | N382-G386 PolarHBondContact O-N 3.4Å; V383-G386 PolarHBondContact O-N 2.97Å; Q384-G386 VanDerWaalsContact C-N 3.32Å; Q384-G386 PolarHBondContact O-N 3.3Å; G386-K389 PolarHBondContact O-N 2.99Å; G386-I390 VanDerWaalsContact O-CG1 3.26Å; G386-I390 WeakPolarHBondContact O-CG1 3.39Å; G386-I390 PolarHBondContact O-N 3.24Å |
| 387 | M | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 178.8 | -72.2 | -166.5 | 66.2 | 0 | 0 | 112.6 | E296 A299 V347 C350 V383 Q384 K389 I390 C391 | E296-M387 HydrophobicContact CG-CG 4.35Å; A299-M387 HydrophobicContact CB-CE 3.99Å; V347-M387 HydrophobicContact CG1-CE 4.11Å; C350-M387 HydrophobicContact CB-CE 3.76Å; C350-M387 HydrophobicContact CB-SD 3.88Å; C350-M387 PolarHBondContact SG-SD 2.69Å; V383-M387 HydrophobicContact CG1-CG 4.37Å; V383-M387 HydrophobicContact CG1-SD 4.19Å; V383-M387 WeakPolarHBondContact O-CB 3.46Å; V383-M387 WeakPolarHBondContact O-CG 3.19Å; V383-M387 PolarHBondContact O-N 3.3Å; Q384-M387 PolarHBondContact O-N 2.89Å; M387-K389 VanDerWaalsContact C-N 3.28Å; M387-K389 PolarHBondContact O-N 2.92Å; M387-I390 PolarHBondContact O-N 2.67Å; M387-I390 VanDerWaalsContact O-N 3.09Å; M387-C391 WeakPolarHBondContact O-CB 3.49Å; M387-C391 PolarHBondContact O-N 3.42Å; M387-C391 PolarHBondContact O-SG 2.69Å |
| 388 | E | 91.4 | Very high | 90.4 | Very high | 96 Ų | 96 | 66.5 Ų | 66.5 | 45% | 0.449 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.6 | -41.8 | 175.1 | -76.6 | 176 | -177.3 | 0 | 0 | 111.2 | Q384 C391 S392 | Q384-E388 HydrophobicContact CG-CG 4.41Å; Q384-E388 WeakPolarHBondContact CG-OE1 3.32Å; Q384-E388 PolarHBondContact NE2-OE1 3.14Å; Q384-E388 WeakPolarHBondContact O-CB 3.42Å; Q384-E388 WeakPolarHBondContact O-CG 3.33Å; Q384-E388 PolarHBondContact O-N 3.04Å; E388-C391 PolarHBondContact O-N 3.43Å; E388-S392 WeakPolarHBondContact O-CB 3.24Å; E388-S392 PolarHBondContact O-N 2.74Å; E388-S392 PolarHBondContact O-OG 3.15Å |
| 389 | K | 92.9 | Very high | 89.8 | Confident | 156 Ų | 156 | 64.8 Ų | 64.8 | 68% | 0.678 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67.1 | -34.9 | 175 | -172.6 | 177.3 | -177.5 | 177.3 | 0 | 113.2 | S385 G386 M387 S392 | S385-K389 VanDerWaalsContact O-CB 3.31Å; S385-K389 WeakPolarHBondContact O-CB 3.4Å; S385-K389 PolarHBondContact O-N 3.14Å; G386-K389 PolarHBondContact O-N 2.99Å; M387-K389 VanDerWaalsContact C-N 3.28Å; M387-K389 PolarHBondContact O-N 2.92Å; K389-S392 WeakPolarHBondContact CA-OG 3.29Å; K389-S392 PolarHBondContact O-OG 3.41Å |
| 390 | I | 92.3 | Very high | 89.2 | Confident | 14 Ų | 14 | 63.8 Ų | 63.8 | 7% | 0.072 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.7 | -46.5 | 175.9 | -67.5 | 162.9 | 0 | 0 | 0 | 110.2 | E296 R300 L303 G386 M387 K393 A396 | E296-I390 HydrophobicContact CG-CD1 4.13Å; R300-I390 HydrophobicContact CB-CD1 4.08Å; L303-I390 HydrophobicContact CB-CG2 4.11Å; L303-I390 HydrophobicContact CD1-CG2 3.82Å; G386-I390 VanDerWaalsContact O-CG1 3.26Å; G386-I390 WeakPolarHBondContact O-CG1 3.39Å; G386-I390 PolarHBondContact O-N 3.24Å; M387-I390 PolarHBondContact O-N 2.67Å; M387-I390 VanDerWaalsContact O-N 3.09Å; I390-K393 WeakPolarHBondContact O-CB 3.4Å; I390-K393 PolarHBondContact O-N 3.3Å; I390-A396 WeakPolarHBondContact O-CB 3.49Å |
| 391 | C | 90.1 | Very high | 88.3 | Confident | 14 Ų | 14 | 67.6 Ų | 67.6 | 10% | 0.095 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72.1 | -30.1 | -175.4 | -62.8 | 0 | 0 | 0 | 0 | 112.9 | M387 E388 K393 K397 L400 | M387-C391 WeakPolarHBondContact O-CB 3.49Å; M387-C391 PolarHBondContact O-N 3.42Å; M387-C391 PolarHBondContact O-SG 2.69Å; E388-C391 PolarHBondContact O-N 3.43Å; C391-K393 VanDerWaalsContact C-N 3.25Å; C391-K393 PolarHBondContact O-N 3.31Å; C391-K397 WeakPolarHBondContact O-CA 3.47Å; C391-K397 WeakPolarHBondContact O-CB 3.3Å; C391-K397 PolarHBondContact O-N 3.38Å; C391-K397 VanDerWaalsContact O-N 3.14Å; C391-L400 HydrophobicContact CB-CD1 3.63Å |
| 392 | S | 88.4 | Confident | 87.2 | Confident | 76 Ų | 76 | 66.4 Ų | 66.4 | 53% | 0.531 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -11.8 | 177.3 | 53.1 | 0 | 0 | 0 | 0 | 114.4 | E388 K389 S394 | E388-S392 WeakPolarHBondContact O-CB 3.24Å; E388-S392 PolarHBondContact O-N 2.74Å; E388-S392 PolarHBondContact O-OG 3.15Å; K389-S392 WeakPolarHBondContact CA-OG 3.29Å; K389-S392 PolarHBondContact O-OG 3.41Å; S392-S394 PolarHBondContact O-N 3.18Å |
| 393 | K | 88.5 | Confident | 85.9 | Confident | 128 Ų | 128 | 60.7 Ų | 60.7 | 56% | 0.557 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -61.5 | 134.6 | 173.6 | -67.3 | 178.7 | -177.9 | 175.3 | 0 | 110 | I390 C391 L395 A396 K397 | I390-K393 WeakPolarHBondContact O-CB 3.4Å; I390-K393 PolarHBondContact O-N 3.3Å; C391-K393 VanDerWaalsContact C-N 3.25Å; C391-K393 PolarHBondContact O-N 3.31Å; K393-L395 VanDerWaalsContact C-N 3.34Å; K393-L395 PolarHBondContact O-N 3.32Å; K393-L395 VanDerWaalsContact O-N 3.12Å; K393-A396 HydrophobicContact CB-CB 4.24Å; K393-A396 WeakPolarHBondContact O-CA 3.09Å; K393-A396 WeakPolarHBondContact O-CB 3.36Å; K393-A396 PolarHBondContact O-N 3Å; K393-K397 PolarHBondContact O-N 3.24Å |
| 394 | S | 83.4 | Confident | 84.3 | Confident | 103 Ų | 103 | 62.1 Ų | 62.1 | 72% | 0.72 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -46.6 | -48.8 | -172.8 | 178.4 | 0 | 0 | 0 | 0 | 114.6 | S392 R398 | S392-S394 PolarHBondContact O-N 3.18Å; S394-R398 WeakPolarHBondContact O-CB 3.44Å; S394-R398 PolarHBondContact O-N 3.23Å |
| 395 | L | 82.8 | Confident | 81.7 | Confident | 104 Ų | 104 | 64.7 Ų | 64.7 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.7 | -39.6 | 177.7 | -72.1 | 174.2 | 0 | 0 | 0 | 113.2 | P305 K393 R399 | P305-L395 HydrophobicContact CB-CD1 4.01Å; P305-L395 HydrophobicContact CG-CD1 4.36Å; K393-L395 VanDerWaalsContact C-N 3.34Å; K393-L395 PolarHBondContact O-N 3.32Å; K393-L395 VanDerWaalsContact O-N 3.12Å; L395-R399 WeakPolarHBondContact O-CG 3.43Å; L395-R399 PolarHBondContact O-N 3.39Å; L395-R399 VanDerWaalsContact O-N 3.08Å |
| 396 | A | 84 | Confident | 79.4 | Confident | 3 Ų | 3 | 65.6 Ų | 65.6 | 3% | 0.025 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.9 | -47.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L303 I390 K393 R398 R399 L400 | L303-A396 HydrophobicContact CB-CB 4.09Å; L303-A396 HydrophobicContact CD1-CB 4.17Å; L303-A396 HydrophobicContact CD2-CB 4.18Å; L303-A396 HydrophobicContact CG-CB 4.38Å; I390-A396 WeakPolarHBondContact O-CB 3.49Å; K393-A396 HydrophobicContact CB-CB 4.24Å; K393-A396 WeakPolarHBondContact O-CA 3.09Å; K393-A396 WeakPolarHBondContact O-CB 3.36Å; K393-A396 PolarHBondContact O-N 3Å; A396-R398 VanDerWaalsContact C-N 3.27Å; A396-R398 PolarHBondContact O-N 3.42Å; A396-R399 PolarHBondContact O-N 3.21Å; A396-L400 WeakPolarHBondContact O-CB 3.5Å; A396-L400 VanDerWaalsContact O-CG 3.29Å; A396-L400 WeakPolarHBondContact O-CG 3.37Å; A396-L400 PolarHBondContact O-N 2.83Å |
| 397 | K | 86.5 | Confident | 77 | Confident | 115 Ų | 115 | 67.2 Ų | 67.2 | 50% | 0.5 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.6 | -41.2 | 176 | -170.3 | 173.7 | -178.2 | 175.2 | 0 | 111.4 | C391 K393 L400 S401 | C391-K397 WeakPolarHBondContact O-CA 3.47Å; C391-K397 WeakPolarHBondContact O-CB 3.3Å; C391-K397 PolarHBondContact O-N 3.38Å; C391-K397 VanDerWaalsContact O-N 3.14Å; K393-K397 PolarHBondContact O-N 3.24Å; K397-L400 PolarHBondContact O-N 3.34Å; K397-S401 WeakPolarHBondContact O-CB 3.43Å; K397-S401 PolarHBondContact O-N 3.37Å |
| 398 | R | 82.4 | Confident | 74.3 | Confident | 136 Ų | 136 | 72.1 Ų | 72.1 | 51% | 0.513 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.2 | -51.1 | 175.8 | -173.5 | 174.1 | 177.8 | 147 | 0.9 | 112.1 | S394 A396 L400 S401 E402 E532 | S394-R398 WeakPolarHBondContact O-CB 3.44Å; S394-R398 PolarHBondContact O-N 3.23Å; A396-R398 VanDerWaalsContact C-N 3.27Å; A396-R398 PolarHBondContact O-N 3.42Å; R398-L400 VanDerWaalsContact C-N 3.31Å; R398-L400 PolarHBondContact O-N 2.92Å; R398-S401 WeakPolarHBondContact O-CB 3.42Å; R398-S401 PolarHBondContact O-N 2.91Å; R398-S401 VanDerWaalsContact O-N 3.14Å; R398-E402 WeakPolarHBondContact CG-OE1 3.44Å; R398-E402 IonicContact NE-OE1 3.57Å; R398-E402 WeakPolarHBondContact O-CG 3.42Å; R398-E402 PolarHBondContact O-N 3.49Å; R398-E532 WeakPolarHBondContact CD-OE1 3.4Å; R398-E532 IonicContact CZ-OE1 2.98Å; R398-E532 IonicContact CZ-OE2 3.74Å; R398-E532 VanDerWaalsContact CZ-OE2 3.25Å; R398-E532 IonicContact NE-OE1 3.3Å; R398-E532 PolarHBondContact NE-OE1 3.42Å; R398-E532 IonicContact NE-OE2 2.9Å; R398-E532 PolarHBondContact NE-OE2 2.95Å; R398-E532 IonicContact NH2-OE1 3.63Å; R398-E532 IonicContact NH2-OE2 3.75Å; R398-E532 PolarHBondContact NH2-OE2 2.68Å |
| 399 | R | 81.2 | Confident | 71.5 | Confident | 53 Ų | 53 | 71.5 Ų | 71.5 | 20% | 0.2 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.8 | -39.1 | 176.6 | -72.7 | -177.5 | 66.6 | -163.9 | -4 | 113 | I302 L395 A396 E402 S403 | I302-R399 PolarHBondContact O-NH1 3.01Å; L395-R399 WeakPolarHBondContact O-CG 3.43Å; L395-R399 PolarHBondContact O-N 3.39Å; L395-R399 VanDerWaalsContact O-N 3.08Å; A396-R399 PolarHBondContact O-N 3.21Å; R399-E402 PolarHBondContact O-N 3.14Å; R399-S403 PolarHBondContact O-N 3.38Å; R399-S403 PolarHBondContact O-OG 3.18Å |
| 400 | L | 82.2 | Confident | 68.8 | Low | 19 Ų | 19 | 67.3 Ų | 67.3 | 10% | 0.099 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.1 | -35.8 | 176.7 | -69 | 172 | 0 | 0 | 0 | 111.9 | V347 Y348 C391 A396 K397 R398 A404 | V347-L400 HydrophobicContact CB-CD2 4.38Å; V347-L400 HydrophobicContact CG1-CD1 4.49Å; V347-L400 HydrophobicContact CG1-CD2 3.96Å; Y348-L400 HydrophobicContact CE1-CB 4.37Å; Y348-L400 HydrophobicContact CE1-CD2 3.94Å; Y348-L400 HydrophobicContact CE2-CD2 4.15Å; Y348-L400 VanDerWaalsContact OH-C 3.26Å; Y348-L400 VanDerWaalsContact OH-CA 3.24Å; Y348-L400 WeakPolarHBondContact OH-CA 3.24Å; Y348-L400 PolarHBondContact OH-O 3.47Å; C391-L400 HydrophobicContact CB-CD1 3.63Å; A396-L400 WeakPolarHBondContact O-CB 3.5Å; A396-L400 VanDerWaalsContact O-CG 3.29Å; A396-L400 WeakPolarHBondContact O-CG 3.37Å; A396-L400 PolarHBondContact O-N 2.83Å; K397-L400 PolarHBondContact O-N 3.34Å; R398-L400 VanDerWaalsContact C-N 3.31Å; R398-L400 PolarHBondContact O-N 2.92Å; L400-A404 WeakPolarHBondContact O-CB 2.9Å; L400-A404 PolarHBondContact O-N 3.14Å; L400-A404 VanDerWaalsContact O-N 3.11Å |
| 401 | S | 76.3 | Confident | 66.2 | Low | 83 Ų | 83 | 74.2 Ų | 74.2 | 58% | 0.58 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.6 | -42.8 | 173.6 | -169.7 | 0 | 0 | 0 | 0 | 111.4 | K397 R398 S403 A404 | K397-S401 WeakPolarHBondContact O-CB 3.43Å; K397-S401 PolarHBondContact O-N 3.37Å; R398-S401 WeakPolarHBondContact O-CB 3.42Å; R398-S401 PolarHBondContact O-N 2.91Å; R398-S401 VanDerWaalsContact O-N 3.14Å; S401-S403 PolarHBondContact O-N 3.4Å; S401-A404 WeakPolarHBondContact O-CB 3.18Å; S401-A404 PolarHBondContact O-N 2.87Å |
| 402 | E | 69.5 | Low | 63.7 | Low | 60 Ų | 60 | 77.9 Ų | 77.9 | 28% | 0.28 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.5 | -38.3 | -179.4 | -73.1 | 173.5 | -166.1 | 0 | 0 | 113.2 | R398 R399 N536 | R398-E402 WeakPolarHBondContact CG-OE1 3.44Å; R398-E402 IonicContact NE-OE1 3.57Å; R398-E402 WeakPolarHBondContact O-CG 3.42Å; R398-E402 PolarHBondContact O-N 3.49Å; R399-E402 PolarHBondContact O-N 3.14Å; E402-N536 VanDerWaalsContact CD-ND2 3.33Å; E402-N536 PolarHBondContact OE2-ND2 3.2Å; E402-N536 PolarHBondContact OE2-OD1 2.82Å |
| 403 | S | 65.2 | Low | 61.4 | Low | 8 Ų | 8 | 81.3 Ų | 81.3 | 6% | 0.056 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -87.6 | -11.5 | -179.9 | -53.4 | 0 | 0 | 0 | 0 | 113.1 | L344 Y348 R399 S401 C405 R406 F407 | L344-S403 VanDerWaalsContact CD1-OG 3.31Å; L344-S403 WeakPolarHBondContact CD1-OG 3.35Å; Y348-S403 VanDerWaalsContact OH-CB 3.29Å; Y348-S403 WeakPolarHBondContact OH-CB 3.1Å; R399-S403 PolarHBondContact O-N 3.38Å; R399-S403 PolarHBondContact O-OG 3.18Å; S401-S403 PolarHBondContact O-N 3.4Å; S403-C405 PolarHBondContact O-N 2.77Å; S403-R406 PolarHBondContact O-N 3.29Å; S403-F407 PolarHBondContact O-N 3.12Å |
| 404 | A | 59.6 | Low | 59.5 | Low | 36 Ų | 36 | 76.4 Ų | 76.4 | 30% | 0.298 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.4 | -27.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y348 L400 S401 R406 S409 | Y348-A404 PolarHBondContact OH-N 3.4Å; L400-A404 WeakPolarHBondContact O-CB 2.9Å; L400-A404 PolarHBondContact O-N 3.14Å; L400-A404 VanDerWaalsContact O-N 3.11Å; S401-A404 WeakPolarHBondContact O-CB 3.18Å; S401-A404 PolarHBondContact O-N 2.87Å; A404-R406 PolarHBondContact O-N 2.99Å; A404-R406 VanDerWaalsContact O-N 3.12Å; A404-S409 PolarHBondContact O-N 2.97Å |
| 405 | C | 39.2 | Very low | 57.8 | Low | 77 Ų | 77 | 77.2 Ų | 77.2 | 52% | 0.52 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61 | -18 | 174.2 | -80.8 | 0 | 0 | 0 | 0 | 113.6 | S403 | S403-C405 PolarHBondContact O-N 2.77Å |
| 406 | R | 44.7 | Very low | 56.4 | Low | 82 Ų | 82 | 77.7 Ų | 77.7 | 31% | 0.309 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -115.5 | -27.1 | -177.2 | -73.4 | -177.6 | 165.9 | -142.2 | -17.4 | 115.2 | S403 A404 A539 A540 S543 | S403-R406 PolarHBondContact O-N 3.29Å; A404-R406 PolarHBondContact O-N 2.99Å; A404-R406 VanDerWaalsContact O-N 3.12Å; R406-A539 PolarHBondContact NH1-O 2.87Å; R406-A540 VanDerWaalsContact CZ-CA 3.5Å; R406-A540 VanDerWaalsContact NH2-CB 3.32Å; R406-A540 PolarHBondContact NH2-O 2.95Å; R406-A540 VanDerWaalsContact NH2-O 3.15Å; R406-S543 PolarHBondContact NH1-OG 2.99Å; R406-S543 VanDerWaalsContact NH1-OG 3.09Å |
| 407 | F | 43.4 | Very low | 55.2 | Low | 48 Ų | 48 | 81.7 Ų | 81.7 | 21% | 0.211 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -106.9 | -22.9 | -167.3 | -74.3 | -80.4 | 0 | 0 | 0 | 115.1 | R341 L342 A345 Y348 S403 | R341-F407 HydrophobicContact CB-CE2 4.29Å; L342-F407 HydrophobicContact CD2-CZ 4.14Å; A345-F407 HydrophobicContact CB-CD1 4.17Å; A345-F407 HydrophobicContact CB-CE1 4.09Å; Y348-F407 HydrophobicContact CD2-CB 4.01Å; Y348-F407 HydrophobicContact CE2-CB 4.12Å; S403-F407 PolarHBondContact O-N 3.12Å |
| 408 | Y | 37.2 | Very low | 54.1 | Low | 103 Ų | 103 | 77.1 Ų | 77.1 | 40% | 0.404 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.9 | -1.4 | -175.7 | -100.1 | -96.7 | 0 | 0 | 0 | 115.5 | Y348 H352 Q410 | Y348-Y408 VanDerWaalsContact CB-CD2 3.4Å; Y348-Y408 HydrophobicContact CD1-CD2 4.31Å; Y348-Y408 AromaticContact CG-CD2 3.98Å; Y348-Y408 HydrophobicContact CG-CD2 3.98Å; Y348-Y408 HydrophobicContact CG-CE2 4.41Å; H352-Y408 HydrophobicContact CB-CE1 3.84Å; H352-Y408 WeakPolarHBondContact CB-OH 3.25Å; H352-Y408 AromaticContact CG-CE1 3.92Å; Y408-Q410 PolarHBondContact O-N 2.95Å; Y408-Q410 VanDerWaalsContact O-N 3.11Å |
| 409 | S | 30.7 | Very low | 53.6 | Low | 84 Ų | 84 | 73.7 Ų | 73.7 | 59% | 0.587 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -80.6 | 87.5 | 171.3 | 168.8 | 0 | 0 | 0 | 0 | 111.5 | A404 | A404-S409 PolarHBondContact O-N 2.97Š|
| 410 | Q | 36.7 | Very low | 53.5 | Low | 67 Ų | 67 | 77.6 Ų | 77.6 | 31% | 0.313 | 40% | 0.397 | S | S | . | . | trans | 64.5 | 62.3 | 152.8 | -59 | -175.4 | -0.5 | 0 | 0 | 119.5 | Y408 M412 K413 G414 | Y408-Q410 PolarHBondContact O-N 2.95Å; Y408-Q410 VanDerWaalsContact O-N 3.11Å; Q410-M412 PolarHBondContact O-N 2.66Å; Q410-K413 HydrophobicContact CB-CB 4.18Å; Q410-K413 HydrophobicContact CG-CB 4.17Å; Q410-G414 WeakPolarHBondContact O-CA 3.37Å; Q410-G414 PolarHBondContact O-N 3.33Å | ||
| 411 | Q | 37.2 | Very low | 53.5 | Low | 159 Ų | 159 | 80.5 Ų | 80.5 | 74% | 0.743 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 7.6 | 154.8 | -83.3 | -161.2 | -16.2 | 0 | 0 | 114.4 | ||
| 412 | M | 38.6 | Very low | 53.9 | Low | 92 Ų | 92 | 76.6 Ų | 76.6 | 45% | 0.453 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -2.9 | 174.5 | -76.5 | -87.3 | -150.2 | 0 | 0 | 114.5 | A207 Q410 | A207-M412 HydrophobicContact CB-CE 3.76Å; Q410-M412 PolarHBondContact O-N 2.66Å |
| 413 | K | 40.4 | Very low | 54.7 | Low | 147 Ų | 147 | 77.9 Ų | 77.9 | 64% | 0.639 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.2 | 2.8 | 178.2 | -66.2 | 179.5 | 179.9 | 177.3 | 0 | 113.1 | Q410 L417 | Q410-K413 HydrophobicContact CB-CB 4.18Å; Q410-K413 HydrophobicContact CG-CB 4.17Å; K413-L417 WeakPolarHBondContact O-CB 3.22Å |
| 414 | G | 47.6 | Very low | 55.8 | Low | 26 Ų | 26 | 83.2 Ų | 83.2 | 27% | 0.268 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -78.8 | -35.7 | -151 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q410 A418 | Q410-G414 WeakPolarHBondContact O-CA 3.37Å; Q410-G414 PolarHBondContact O-N 3.33Å; G414-A418 WeakPolarHBondContact O-CA 3.36Å; G414-A418 WeakPolarHBondContact O-CB 3.31Å; G414-A418 PolarHBondContact O-N 3.12Å |
| 415 | K | 48.8 | Very low | 57.3 | Low | 120 Ų | 120 | 82 Ų | 82 | 52% | 0.522 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68 | -48.7 | -171.7 | -164.7 | 175.3 | -178.7 | 179.2 | 0 | 112.3 | I419 | K415-I419 HydrophobicContact CG-CD1 4.08Å; K415-I419 WeakPolarHBondContact O-CB 3.49Å; K415-I419 WeakPolarHBondContact O-CD1 3.33Å; K415-I419 WeakPolarHBondContact O-CG1 3.41Å; K415-I419 PolarHBondContact O-N 3.44Å |
| 416 | Q | 52.3 | Low | 59.6 | Low | 113 Ų | 113 | 79.8 Ų | 79.8 | 53% | 0.528 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.2 | -39.7 | 177.1 | -78.9 | -179.4 | -8.5 | 0 | 0 | 112.4 | I419 K420 | Q416-I419 PolarHBondContact O-N 3.31Å; Q416-K420 WeakPolarHBondContact O-CB 3.38Å; Q416-K420 VanDerWaalsContact O-CG 3.26Å; Q416-K420 WeakPolarHBondContact O-CG 3.45Å; Q416-K420 PolarHBondContact O-N 3.5Å |
| 417 | L | 60.5 | Low | 61.7 | Low | 87 Ų | 87 | 84 Ų | 84 | 46% | 0.455 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69.5 | -36.9 | 178.3 | -132.3 | 108.4 | 0 | 0 | 0 | 111.7 | K413 K420 K421 | K413-L417 WeakPolarHBondContact O-CB 3.22Å; L417-K420 PolarHBondContact O-N 3.12Å; L417-K421 WeakPolarHBondContact O-CB 3.46Å; L417-K421 PolarHBondContact O-N 2.84Å |
| 418 | A | 62.9 | Low | 64 | Low | 19 Ų | 19 | 84.2 Ų | 84.2 | 16% | 0.157 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.4 | -48.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | G414 K420 K421 M422 | G414-A418 WeakPolarHBondContact O-CA 3.36Å; G414-A418 WeakPolarHBondContact O-CB 3.31Å; G414-A418 PolarHBondContact O-N 3.12Å; A418-K420 VanDerWaalsContact C-N 3.33Å; A418-K420 PolarHBondContact O-N 3.14Å; A418-K421 CarbonylContact O-C 3.58Å; A418-K421 PolarHBondContact O-N 3.37Å; A418-K421 VanDerWaalsContact O-N 3.14Å; A418-M422 WeakPolarHBondContact O-CB 3.42Å; A418-M422 WeakPolarHBondContact O-CG 3.29Å; A418-M422 PolarHBondContact O-N 3.36Å |
| 419 | I | 72.2 | Confident | 66.6 | Low | 64 Ų | 64 | 79.7 Ų | 79.7 | 33% | 0.328 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 176.2 | -68.4 | 165 | 0 | 0 | 0 | 111 | K415 Q416 K421 M422 N423 | K415-I419 HydrophobicContact CG-CD1 4.08Å; K415-I419 WeakPolarHBondContact O-CB 3.49Å; K415-I419 WeakPolarHBondContact O-CD1 3.33Å; K415-I419 WeakPolarHBondContact O-CG1 3.41Å; K415-I419 PolarHBondContact O-N 3.44Å; Q416-I419 PolarHBondContact O-N 3.31Å; I419-K421 VanDerWaalsContact C-N 3.34Å; I419-K421 PolarHBondContact O-N 3.34Å; I419-M422 PolarHBondContact O-N 3.19Å; I419-N423 WeakPolarHBondContact O-CB 3.49Å; I419-N423 PolarHBondContact O-N 2.96Å; I419-N423 PolarHBondContact O-ND2 3.3Å |
| 420 | K | 79 | Confident | 69.4 | Low | 136 Ų | 136 | 78.2 Ų | 78.2 | 59% | 0.591 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -57.3 | -47.8 | 174.2 | -77.2 | 174.8 | -177.5 | 179.2 | 0 | 111.2 | Q416 L417 A418 N423 E424 | Q416-K420 WeakPolarHBondContact O-CB 3.38Å; Q416-K420 VanDerWaalsContact O-CG 3.26Å; Q416-K420 WeakPolarHBondContact O-CG 3.45Å; Q416-K420 PolarHBondContact O-N 3.5Å; L417-K420 PolarHBondContact O-N 3.12Å; A418-K420 VanDerWaalsContact C-N 3.33Å; A418-K420 PolarHBondContact O-N 3.14Å; K420-N423 PolarHBondContact O-N 3.1Å; K420-E424 WeakPolarHBondContact O-CB 3.3Å; K420-E424 PolarHBondContact O-N 2.78Å |
| 421 | K | 82.2 | Confident | 71.8 | Confident | 80 Ų | 80 | 76.3 Ų | 76.3 | 35% | 0.348 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 177.4 | -170.1 | 172.5 | -174.9 | 173.4 | 0 | 112.2 | L417 A418 I419 E424 I425 F444 | L417-K421 WeakPolarHBondContact O-CB 3.46Å; L417-K421 PolarHBondContact O-N 2.84Å; A418-K421 CarbonylContact O-C 3.58Å; A418-K421 PolarHBondContact O-N 3.37Å; A418-K421 VanDerWaalsContact O-N 3.14Å; I419-K421 VanDerWaalsContact C-N 3.34Å; I419-K421 PolarHBondContact O-N 3.34Å; K421-E424 PolarHBondContact O-N 3.18Å; K421-I425 HydrophobicContact CG-CD1 3.97Å; K421-I425 WeakPolarHBondContact O-CB 3.36Å; K421-I425 VanDerWaalsContact O-CG1 3.24Å; K421-I425 WeakPolarHBondContact O-CG1 3.37Å; K421-I425 PolarHBondContact O-N 2.7Å; K421-F444 HydrophobicContact CD-CB 4.28Å; K421-F444 HydrophobicContact CD-CD1 3.93Å; K421-F444 HydrophobicContact CD-CE1 4.47Å; K421-F444 HydrophobicContact CD-CG 4.04Å; K421-F444 VanDerWaalsContact CE-CD1 3.49Å |
| 422 | M | 85 | Confident | 74.2 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.7 | -45.2 | 176.9 | -68.6 | 167.2 | 83.9 | 0 | 0 | 111.6 | A418 I419 E424 I425 Q426 I437 C441 F464 | A418-M422 WeakPolarHBondContact O-CB 3.42Å; A418-M422 WeakPolarHBondContact O-CG 3.29Å; A418-M422 PolarHBondContact O-N 3.36Å; I419-M422 PolarHBondContact O-N 3.19Å; M422-E424 VanDerWaalsContact C-N 3.33Å; M422-E424 PolarHBondContact O-N 3.06Å; M422-I425 PolarHBondContact O-N 2.8Å; M422-Q426 WeakPolarHBondContact O-CB 3.22Å; M422-Q426 PolarHBondContact O-N 3.36Å; M422-I437 HydrophobicContact CB-CB 4.46Å; M422-I437 HydrophobicContact CB-CG2 4.48Å; M422-I437 VanDerWaalsContact CE-C 3.49Å; M422-I437 HydrophobicContact CE-CB 4.02Å; M422-I437 HydrophobicContact CE-CG2 3.4Å; M422-I437 VanDerWaalsContact CE-CG2 3.4Å; M422-I437 WeakPolarHBondContact CE-O 3.19Å; M422-I437 HydrophobicContact CG-CG2 4.43Å; M422-C441 HydrophobicContact CE-CB 3.38Å; M422-C441 VanDerWaalsContact CE-O 3.32Å; M422-C441 WeakPolarHBondContact CE-O 3.4Å; M422-F464 HydrophobicContact CB-CE1 4.43Å; M422-F464 HydrophobicContact CE-CD1 4.25Å; M422-F464 HydrophobicContact CG-CD1 4.09Å; M422-F464 HydrophobicContact CG-CE1 3.65Å |
| 423 | N | 86.2 | Confident | 76.3 | Confident | 86 Ų | 86 | 72.8 Ų | 72.8 | 46% | 0.46 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 177 | -69.1 | -17.1 | 0 | 0 | 0 | 111.5 | I419 K420 K427 | I419-N423 WeakPolarHBondContact O-CB 3.49Å; I419-N423 PolarHBondContact O-N 2.96Å; I419-N423 PolarHBondContact O-ND2 3.3Å; K420-N423 PolarHBondContact O-N 3.1Å; N423-K427 VanDerWaalsContact O-CB 3.3Å; N423-K427 WeakPolarHBondContact O-CB 3.37Å; N423-K427 PolarHBondContact O-N 3.13Å |
| 424 | E | 88.3 | Confident | 78.1 | Confident | 120 Ų | 120 | 68.5 Ų | 68.5 | 56% | 0.561 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.6 | -48.7 | 174.5 | -175.8 | -178.3 | 175.2 | 0 | 0 | 111.8 | K420 K421 M422 Q426 K427 N428 | K420-E424 WeakPolarHBondContact O-CB 3.3Å; K420-E424 PolarHBondContact O-N 2.78Å; K421-E424 PolarHBondContact O-N 3.18Å; M422-E424 VanDerWaalsContact C-N 3.33Å; M422-E424 PolarHBondContact O-N 3.06Å; E424-Q426 PolarHBondContact O-N 3.28Å; E424-K427 PolarHBondContact O-N 3.06Å; E424-N428 PolarHBondContact O-N 3.47Å |
| 425 | I | 89.3 | Confident | 79.7 | Confident | 10 Ų | 10 | 71.1 Ų | 71.1 | 5% | 0.051 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 178 | -68.9 | 166 | 0 | 0 | 0 | 110.5 | K421 M422 K427 N428 I429 I437 F444 F462 F464 | K421-I425 HydrophobicContact CG-CD1 3.97Å; K421-I425 WeakPolarHBondContact O-CB 3.36Å; K421-I425 VanDerWaalsContact O-CG1 3.24Å; K421-I425 WeakPolarHBondContact O-CG1 3.37Å; K421-I425 PolarHBondContact O-N 2.7Å; M422-I425 PolarHBondContact O-N 2.8Å; I425-K427 VanDerWaalsContact C-N 3.31Å; I425-K427 PolarHBondContact O-N 3.49Å; I425-N428 PolarHBondContact O-N 2.82Å; I425-N428 VanDerWaalsContact O-N 3.14Å; I425-I429 HydrophobicContact CG2-CD1 3.81Å; I425-I429 WeakPolarHBondContact O-CD1 3.38Å; I425-I429 VanDerWaalsContact O-CG1 3.3Å; I425-I429 WeakPolarHBondContact O-CG1 3.3Å; I425-I429 PolarHBondContact O-N 2.66Å; I425-I437 HydrophobicContact CG2-CD1 4.31Å; I425-F444 HydrophobicContact CD1-CD2 3.52Å; I425-F444 HydrophobicContact CD1-CE2 3.62Å; I425-F444 HydrophobicContact CD1-CG 4.38Å; I425-F462 HydrophobicContact CD1-CD1 4.17Å; I425-F462 HydrophobicContact CG1-CD1 4.3Å; I425-F462 HydrophobicContact CG1-CE1 4.34Å; I425-F462 HydrophobicContact CG2-CB 4.21Å; I425-F462 HydrophobicContact CG2-CD1 3.87Å; I425-F462 HydrophobicContact CG2-CD2 3.83Å; I425-F462 HydrophobicContact CG2-CE1 4.14Å; I425-F462 HydrophobicContact CG2-CE2 4.09Å; I425-F462 HydrophobicContact CG2-CG 3.7Å; I425-F462 HydrophobicContact CG2-CZ 4.23Å; I425-F464 HydrophobicContact CB-CZ 4.28Å; I425-F464 HydrophobicContact CD1-CE1 4.14Å; I425-F464 HydrophobicContact CD1-CZ 3.69Å; I425-F464 HydrophobicContact CG2-CE2 4.41Å; I425-F464 HydrophobicContact CG2-CZ 3.95Å |
| 426 | Q | 89.3 | Confident | 81.4 | Confident | 31 Ų | 31 | 69 Ų | 69 | 15% | 0.145 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 178.1 | -168.9 | 177.4 | -40.5 | 0 | 0 | 111.8 | M422 E424 N428 I429 W432 D436 I437 | M422-Q426 WeakPolarHBondContact O-CB 3.22Å; M422-Q426 PolarHBondContact O-N 3.36Å; E424-Q426 PolarHBondContact O-N 3.28Å; Q426-N428 VanDerWaalsContact C-N 3.28Å; Q426-N428 PolarHBondContact O-N 3.43Å; Q426-I429 PolarHBondContact O-N 3.34Å; Q426-W432 HydrophobicContact CG-CD2 4.02Å; Q426-W432 HydrophobicContact CG-CG 4.08Å; Q426-D436 PolarHBondContact NE2-OD1 2.98Å; Q426-D436 VanDerWaalsContact OE1-CA 3.23Å; Q426-I437 HydrophobicContact CB-CD1 3.73Å; Q426-I437 HydrophobicContact CB-CG1 4.1Å; Q426-I437 HydrophobicContact CG-CD1 4.33Å; Q426-I437 HydrophobicContact CG-CG1 4.28Å |
| 427 | K | 88.9 | Confident | 82.9 | Confident | 172 Ų | 172 | 63.6 Ų | 63.6 | 75% | 0.748 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.3 | -31.4 | 177.4 | -172.5 | 180 | 179.2 | -175.8 | 0 | 112.6 | N423 E424 I425 I429 | N423-K427 VanDerWaalsContact O-CB 3.3Å; N423-K427 WeakPolarHBondContact O-CB 3.37Å; N423-K427 PolarHBondContact O-N 3.13Å; E424-K427 PolarHBondContact O-N 3.06Å; I425-K427 VanDerWaalsContact C-N 3.31Å; I425-K427 PolarHBondContact O-N 3.49Å; K427-I429 PolarHBondContact O-N 3.37Å |
| 428 | N | 90.6 | Very high | 83.6 | Confident | 51 Ų | 51 | 61.1 Ų | 61.1 | 27% | 0.273 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 4.3 | 178.1 | -73.5 | -10.3 | 0 | 0 | 0 | 113.9 | E424 I425 Q426 A486 Y488 | E424-N428 PolarHBondContact O-N 3.47Å; I425-N428 PolarHBondContact O-N 2.82Å; I425-N428 VanDerWaalsContact O-N 3.14Å; Q426-N428 VanDerWaalsContact C-N 3.28Å; Q426-N428 PolarHBondContact O-N 3.43Å; N428-A486 WeakPolarHBondContact O-CB 3.4Å; N428-Y488 HydrophobicContact CB-CD2 4.47Å; N428-Y488 WeakPolarHBondContact O-CB 3.41Å; N428-Y488 PolarHBondContact O-N 3.4Å |
| 429 | I | 90.9 | Very high | 84.1 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 115.2 | 177.7 | -63.6 | 161.3 | 0 | 0 | 0 | 110.3 | I425 Q426 K427 W432 F462 I469 L490 | I425-I429 HydrophobicContact CG2-CD1 3.81Å; I425-I429 WeakPolarHBondContact O-CD1 3.38Å; I425-I429 VanDerWaalsContact O-CG1 3.3Å; I425-I429 WeakPolarHBondContact O-CG1 3.3Å; I425-I429 PolarHBondContact O-N 2.66Å; Q426-I429 PolarHBondContact O-N 3.34Å; K427-I429 PolarHBondContact O-N 3.37Å; I429-W432 HydrophobicContact CD1-CZ3 4.47Å; I429-W432 HydrophobicContact CG2-CE3 4.32Å; I429-F462 HydrophobicContact CD1-CD2 4.02Å; I429-F462 HydrophobicContact CD1-CE2 4.08Å; I429-F462 HydrophobicContact CG1-CE2 4.2Å; I429-I469 HydrophobicContact CD1-CD1 4.04Å; I429-I469 HydrophobicContact CD1-CG2 3.9Å; I429-L490 HydrophobicContact CG2-CB 3.63Å; I429-L490 HydrophobicContact CG2-CD1 4.4Å |
| 430 | D | 89.9 | Confident | 84 | Confident | 53 Ų | 53 | 62.3 Ų | 62.3 | 28% | 0.283 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 141.1 | 174.7 | -171.7 | 34.1 | 0 | 0 | 0 | 112.1 | S484 A486 Y488 R489 L490 | D430-S484 WeakPolarHBondContact OD1-CB 3.26Å; D430-A486 HydrophobicContact CB-CB 4.02Å; D430-Y488 WeakPolarHBondContact CB-O 3.46Å; D430-Y488 PolarHBondContact N-O 3.39Å; D430-R489 WeakPolarHBondContact O-CD 3.33Å; D430-R489 PolarHBondContact O-NH1 2.7Å; D430-R489 VanDerWaalsContact OD2-CD 3.3Å; D430-R489 WeakPolarHBondContact OD2-CD 3.36Å; D430-R489 IonicContact OD2-NE 3.27Å; D430-L490 PolarHBondContact O-N 3.04Å |
| 431 | G | 87.2 | Confident | 83.8 | Confident | 27 Ų | 27 | 56 Ų | 56 | 28% | 0.278 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 50.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | R489 | G431-R489 PolarHBondContact O-NH1 2.92Š|
| 432 | W | 88 | Confident | 83.2 | Confident | 50 Ų | 50 | 55 Ų | 55 | 19% | 0.189 | 30% | 0.298 | C | S | . | . | trans | -61.1 | 132.3 | 167.8 | -176.8 | -103.5 | 0 | 0 | 0 | 110.7 | Q426 I429 K435 I437 L467 I469 L490 | Q426-W432 HydrophobicContact CG-CD2 4.02Å; Q426-W432 HydrophobicContact CG-CG 4.08Å; I429-W432 HydrophobicContact CD1-CZ3 4.47Å; I429-W432 HydrophobicContact CG2-CE3 4.32Å; W432-K435 WeakPolarHBondContact CZ2-O 3.45Å; W432-K435 PolarHBondContact NE1-O 3.14Å; W432-I437 HydrophobicContact CH2-CD1 4.14Å; W432-I437 HydrophobicContact CH2-CG1 3.58Å; W432-I437 HydrophobicContact CZ2-CG1 3.6Å; W432-I437 HydrophobicContact CZ3-CG1 4.38Å; W432-L467 HydrophobicContact CH2-CD2 4.29Å; W432-I469 HydrophobicContact CH2-CD1 3.7Å; W432-I469 HydrophobicContact CH2-CG1 4.14Å; W432-I469 HydrophobicContact CZ3-CD1 3.56Å; W432-I469 HydrophobicContact CZ3-CG1 4.01Å; W432-I469 HydrophobicContact CZ3-CG2 4.13Å; W432-L490 HydrophobicContact CE3-CD2 4.04Å; W432-L490 HydrophobicContact CZ3-CD1 4.42Å; W432-L490 HydrophobicContact CZ3-CD2 4.47Å | ||
| 433 | E | 82.6 | Confident | 82.6 | Confident | 127 Ų | 127 | 59.2 Ų | 59.2 | 59% | 0.593 | 32% | 0.317 | S | S | * | . | trans | -126 | 125.6 | 178.8 | -68.5 | 174.5 | -169.3 | 0 | 0 | 109.1 | K493 | E433-K493 PolarHBondContact O-NZ 2.87Š| ||
| 434 | G | 78 | Confident | 82.4 | Confident | 57 Ų | 57 | 56.4 Ų | 56.4 | 59% | 0.588 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 112.3 | -169.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 435 | K | 81 | Confident | 82.1 | Confident | 82 Ų | 82 | 51.2 Ų | 51.2 | 36% | 0.357 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -66.8 | 159.8 | 178 | -73.1 | 172.3 | 174.5 | 163.9 | 0 | 111.5 | I183 N184 W432 Q439 | I183-K435 PolarHBondContact O-NZ 2.97Å; N184-K435 PolarHBondContact OD1-NZ 2.92Å; W432-K435 WeakPolarHBondContact CZ2-O 3.45Å; W432-K435 PolarHBondContact NE1-O 3.14Å; K435-Q439 HydrophobicContact CB-CB 4.3Å; K435-Q439 VanDerWaalsContact CB-OE1 3.29Å; K435-Q439 VanDerWaalsContact CG-OE1 3.25Å |
| 436 | D | 84.7 | Confident | 82 | Confident | 75 Ų | 75 | 52.1 Ų | 52.1 | 40% | 0.401 | 28% | 0.282 | S | S | . | . | trans | -60.7 | 148.3 | 175.4 | -60.6 | -34.5 | 0 | 0 | 0 | 110.8 | Q426 G438 Q439 | Q426-D436 PolarHBondContact NE2-OD1 2.98Å; Q426-D436 VanDerWaalsContact OE1-CA 3.23Å; D436-G438 PolarHBondContact O-N 2.79Å; D436-Q439 HydrophobicContact CB-CG 4.23Å; D436-Q439 WeakPolarHBondContact O-CB 3.06Å; D436-Q439 PolarHBondContact O-N 2.89Å | ||
| 437 | I | 83.7 | Confident | 82 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -55.7 | -41.9 | -178.5 | -53.6 | 177 | 0 | 0 | 0 | 109.7 | M422 I425 Q426 W432 Q439 C440 C441 F464 I469 | M422-I437 HydrophobicContact CB-CB 4.46Å; M422-I437 HydrophobicContact CB-CG2 4.48Å; M422-I437 VanDerWaalsContact CE-C 3.49Å; M422-I437 HydrophobicContact CE-CB 4.02Å; M422-I437 HydrophobicContact CE-CG2 3.4Å; M422-I437 VanDerWaalsContact CE-CG2 3.4Å; M422-I437 WeakPolarHBondContact CE-O 3.19Å; M422-I437 HydrophobicContact CG-CG2 4.43Å; I425-I437 HydrophobicContact CG2-CD1 4.31Å; Q426-I437 HydrophobicContact CB-CD1 3.73Å; Q426-I437 HydrophobicContact CB-CG1 4.1Å; Q426-I437 HydrophobicContact CG-CD1 4.33Å; Q426-I437 HydrophobicContact CG-CG1 4.28Å; W432-I437 HydrophobicContact CH2-CD1 4.14Å; W432-I437 HydrophobicContact CH2-CG1 3.58Å; W432-I437 HydrophobicContact CZ2-CG1 3.6Å; W432-I437 HydrophobicContact CZ3-CG1 4.38Å; I437-Q439 PolarHBondContact O-N 3.29Å; I437-Q439 VanDerWaalsContact O-N 3.07Å; I437-C440 PolarHBondContact O-N 2.9Å; I437-C440 VanDerWaalsContact O-N 3.14Å; I437-C441 HydrophobicContact CG2-CB 4.04Å; I437-C441 WeakPolarHBondContact O-CB 3.46Å; I437-C441 PolarHBondContact O-N 3.06Å; I437-F464 HydrophobicContact CD1-CE2 4.16Å; I437-F464 HydrophobicContact CD1-CZ 3.95Å; I437-F464 HydrophobicContact CG2-CD1 3.88Å; I437-F464 HydrophobicContact CG2-CD2 4.11Å; I437-F464 HydrophobicContact CG2-CE1 3.89Å; I437-F464 HydrophobicContact CG2-CE2 4.13Å; I437-F464 HydrophobicContact CG2-CG 3.99Å; I437-F464 HydrophobicContact CG2-CZ 4Å; I437-I469 HydrophobicContact CD1-CD1 3.6Å; I437-I469 HydrophobicContact CG1-CD1 4.25Å |
| 438 | G | 76.4 | Confident | 82.2 | Confident | 34 Ų | 34 | 48.3 Ų | 48.3 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -61.9 | -13.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | D436 | D436-G438 PolarHBondContact O-N 2.79Š|
| 439 | Q | 72.8 | Confident | 82.3 | Confident | 69 Ų | 69 | 47.5 Ų | 47.5 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -83.2 | -17.1 | 177.3 | -65 | -176.2 | 18.6 | 0 | 0 | 113.2 | K435 D436 I437 | K435-Q439 HydrophobicContact CB-CB 4.3Å; K435-Q439 VanDerWaalsContact CB-OE1 3.29Å; K435-Q439 VanDerWaalsContact CG-OE1 3.25Å; D436-Q439 HydrophobicContact CB-CG 4.23Å; D436-Q439 WeakPolarHBondContact O-CB 3.06Å; D436-Q439 PolarHBondContact O-N 2.89Å; I437-Q439 PolarHBondContact O-N 3.29Å; I437-Q439 VanDerWaalsContact O-N 3.07Å |
| 440 | C | 71.1 | Confident | 82.4 | Confident | 40 Ų | 40 | 47.1 Ų | 47.1 | 27% | 0.27 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.3 | 0.2 | -175.9 | 66 | 0 | 0 | 0 | 0 | 114.4 | I437 | I437-C440 PolarHBondContact O-N 2.9Å; I437-C440 VanDerWaalsContact O-N 3.14Å |
| 441 | C | 73.8 | Confident | 82.6 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | trans | -136.1 | 151.1 | -179.6 | -64.5 | 0 | 0 | 0 | 0 | 109.2 | M422 I437 F464 D465 L467 | M422-C441 HydrophobicContact CE-CB 3.38Å; M422-C441 VanDerWaalsContact CE-O 3.32Å; M422-C441 WeakPolarHBondContact CE-O 3.4Å; I437-C441 HydrophobicContact CG2-CB 4.04Å; I437-C441 WeakPolarHBondContact O-CB 3.46Å; I437-C441 PolarHBondContact O-N 3.06Å; C441-F464 HydrophobicContact CB-CB 3.89Å; C441-F464 HydrophobicContact CB-CD1 4.49Å; C441-F464 HydrophobicContact CB-CG 4.41Å; C441-F464 VanDerWaalsContact SG-CB 3.57Å; C441-D465 WeakPolarHBondContact CA-OD1 3.3Å; C441-D465 WeakPolarHBondContact CB-OD1 3.14Å; C441-L467 VanDerWaalsContact SG-CB 3.52Å | ||
| 442 | N | 69.8 | Low | 82.9 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 32% | 0.321 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -120 | -20.3 | 175.8 | -55.8 | -75.6 | 0 | 0 | 0 | 112.4 | V164 D465 | V164-N442 WeakPolarHBondContact CG1-ND2 3.38Å; N442-D465 VanDerWaalsContact N-CG 3.31Å; N442-D465 PolarHBondContact N-OD1 2.71Å; N442-D465 PolarHBondContact N-OD2 2.85Å; N442-D465 PolarHBondContact ND2-OD2 3.11Å |
| 443 | E | 73.1 | Confident | 82.9 | Confident | 90 Ų | 90 | 50.1 Ų | 50.1 | 42% | 0.421 | 28% | 0.277 | S | S | . | . | trans | -138.4 | 135.1 | -169.5 | -170.5 | 175.5 | -169.4 | 0 | 0 | 110.8 | F464 D465 | E443-F464 VanDerWaalsContact O-CA 3.29Å; E443-F464 WeakPolarHBondContact O-CA 3.46Å; E443-F464 WeakPolarHBondContact O-CB 3.42Å; E443-D465 HydrophobicContact CB-CB 4.38Å; E443-D465 PolarHBondContact N-OD1 2.87Å; E443-D465 PolarHBondContact O-N 3.22Å; E443-D465 VanDerWaalsContact O-N 3.12Å | ||
| 444 | F | 81.5 | Confident | 83.1 | Confident | 27 Ų | 27 | 48.1 Ų | 48.1 | 12% | 0.118 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 127.6 | 167.1 | 170 | -90.4 | 0 | 0 | 0 | 108.9 | K421 I425 M446 E447 F462 F464 | K421-F444 HydrophobicContact CD-CB 4.28Å; K421-F444 HydrophobicContact CD-CD1 3.93Å; K421-F444 HydrophobicContact CD-CE1 4.47Å; K421-F444 HydrophobicContact CD-CG 4.04Å; K421-F444 VanDerWaalsContact CE-CD1 3.49Å; I425-F444 HydrophobicContact CD1-CD2 3.52Å; I425-F444 HydrophobicContact CD1-CE2 3.62Å; I425-F444 HydrophobicContact CD1-CG 4.38Å; F444-M446 VanDerWaalsContact CZ-C 3.4Å; F444-E447 HydrophobicContact CE2-CB 4.3Å; F444-E447 HydrophobicContact CZ-CB 3.81Å; F444-E447 HydrophobicContact CZ-CG 4.08Å; F444-F462 HydrophobicContact CE2-CD1 4.25Å; F444-F464 HydrophobicContact CB-CD1 4.08Å; F444-F464 HydrophobicContact CB-CE1 3.96Å; F444-F464 HydrophobicContact CD2-CD1 4.24Å; F444-F464 AromaticContact CD2-CE1 3.72Å; F444-F464 HydrophobicContact CD2-CE1 3.72Å; F444-F464 AromaticContact CD2-CZ 3.93Å; F444-F464 HydrophobicContact CD2-CZ 3.93Å; F444-F464 HydrophobicContact CG-CE1 4.34Å |
| 445 | I | 82.2 | Confident | 83.6 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | -52.9 | -170.4 | -64.6 | 173.9 | 0 | 0 | 0 | 111.7 | L463 D465 A540 L544 | I445-L463 HydrophobicContact CB-CD2 4.37Å; I445-L463 HydrophobicContact CB-CG 4.3Å; I445-L463 WeakPolarHBondContact CB-O 3.15Å; I445-L463 HydrophobicContact CD1-CG 4.47Å; I445-L463 HydrophobicContact CG2-CD2 4.06Å; I445-L463 PolarHBondContact N-O 2.99Å; I445-D465 HydrophobicContact CD1-CB 4.37Å; I445-A540 HydrophobicContact CG2-CB 4.04Å; I445-L544 HydrophobicContact CD1-CD1 3.42Å; I445-L544 VanDerWaalsContact CD1-CD1 3.42Å; I445-L544 HydrophobicContact CD1-CD2 3.57Å; I445-L544 HydrophobicContact CD1-CG 3.63Å |
| 446 | M | 86.3 | Confident | 83.8 | Confident | 30 Ų | 30 | 52.3 Ų | 52.3 | 15% | 0.148 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 159 | -179.4 | 65.8 | -177.3 | -61.8 | 0 | 0 | 111.5 | F444 L463 N536 W537 A540 | F444-M446 VanDerWaalsContact CZ-C 3.4Å; M446-L463 HydrophobicContact CG-CB 3.75Å; M446-L463 HydrophobicContact CG-CD2 3.77Å; M446-L463 HydrophobicContact CG-CG 4.37Å; M446-L463 PolarHBondContact N-O 3.21Å; M446-L463 PolarHBondContact O-N 3.2Å; M446-L463 HydrophobicContact SD-CD2 3.99Å; M446-N536 HydrophobicContact CE-CB 4.42Å; M446-W537 HydrophobicContact CE-CD2 3.63Å; M446-W537 HydrophobicContact CE-CE3 4.05Å; M446-W537 HydrophobicContact CE-CG 3.95Å; M446-W537 HydrophobicContact CE-CH2 4.39Å; M446-W537 HydrophobicContact CE-CZ2 4.05Å; M446-W537 HydrophobicContact CE-CZ3 4.42Å; M446-W537 HydrophobicContact CG-CE3 4.46Å; M446-W537 HydrophobicContact CG-CH2 4.29Å; M446-W537 HydrophobicContact CG-CZ3 4.15Å; M446-W537 HydrophobicContact SD-CD2 3.95Å; M446-W537 HydrophobicContact SD-CE3 3.76Å; M446-W537 HydrophobicContact SD-CG 4.48Å; M446-W537 HydrophobicContact SD-CH2 4.48Å; M446-W537 HydrophobicContact SD-CZ3 4.05Å; M446-A540 HydrophobicContact CG-CB 4.38Å; M446-A540 HydrophobicContact SD-CB 3.37Å; M446-A540 WeakPolarHBondContact SD-CB 3.02Å |
| 447 | E | 90.4 | Very high | 84 | Confident | 106 Ų | 106 | 53.5 Ų | 53.5 | 50% | 0.495 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 151.9 | 166 | 62.1 | -168.3 | -154.7 | 0 | 0 | 109.5 | F444 I461 F462 | F444-E447 HydrophobicContact CE2-CB 4.3Å; F444-E447 HydrophobicContact CZ-CB 3.81Å; F444-E447 HydrophobicContact CZ-CG 4.08Å; E447-I461 VanDerWaalsContact CA-O 3.31Å; E447-I461 WeakPolarHBondContact CA-O 3.45Å; E447-F462 HydrophobicContact CB-CD1 4.02Å; E447-F462 HydrophobicContact CB-CE1 4.37Å |
| 448 | G | 91.3 | Very high | 84.4 | Confident | 17 Ų | 17 | 58.2 Ų | 58.2 | 18% | 0.175 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.9 | -174.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I461 | G448-I461 PolarHBondContact N-O 3.37Å; G448-I461 VanDerWaalsContact N-O 3.07Å; G448-I461 PolarHBondContact O-N 2.93Å |
| 449 | T | 93.1 | Very high | 85.2 | Confident | 33 Ų | 33 | 58 Ų | 58 | 20% | 0.202 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130.3 | -177.1 | -53.6 | 0 | 0 | 0 | 0 | 110.1 | E458 R459 | T449-E458 HydrophobicContact CG2-CB 3.82Å; T449-E458 VanDerWaalsContact CG2-CD 3.46Å; T449-E458 HydrophobicContact CG2-CG 3.83Å; T449-E458 VanDerWaalsContact CG2-OE2 3.27Å; T449-E458 WeakPolarHBondContact CG2-OE2 3.42Å; T449-R459 WeakPolarHBondContact CA-O 3.38Å |
| 450 | L | 94.2 | Very high | 86.3 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 147.3 | 177 | -68.4 | 175.5 | 0 | 0 | 0 | 110.5 | R459 I461 F514 F526 A528 W537 | L450-R459 PolarHBondContact N-O 3.43Å; L450-R459 PolarHBondContact O-N 2.77Å; L450-I461 HydrophobicContact CB-CD1 3.74Å; L450-I461 HydrophobicContact CD1-CD1 3.78Å; L450-I461 HydrophobicContact CG-CD1 4.15Å; L450-F514 HydrophobicContact CD1-CE1 3.82Å; L450-F514 HydrophobicContact CD1-CZ 3.47Å; L450-F514 VanDerWaalsContact CD1-CZ 3.47Å; L450-F514 HydrophobicContact CD2-CE1 4.34Å; L450-F526 HydrophobicContact CB-CB 4.33Å; L450-F526 HydrophobicContact CB-CD1 3.87Å; L450-F526 HydrophobicContact CB-CG 4.48Å; L450-F526 HydrophobicContact CD1-CB 4.17Å; L450-F526 HydrophobicContact CD1-CD1 4.48Å; L450-F526 HydrophobicContact CD1-CG 4.43Å; L450-A528 HydrophobicContact CD2-CB 3.64Å; L450-W537 HydrophobicContact CD1-CD2 3.56Å; L450-W537 HydrophobicContact CD1-CE3 3.98Å; L450-W537 HydrophobicContact CD1-CG 3.89Å; L450-W537 HydrophobicContact CD1-CH2 4.42Å; L450-W537 HydrophobicContact CD1-CZ2 4Å; L450-W537 HydrophobicContact CD1-CZ3 4.38Å; L450-W537 HydrophobicContact CD2-CG 4.25Å; L450-W537 HydrophobicContact CG-CD2 4.24Å; L450-W537 HydrophobicContact CG-CG 4.43Å; L450-W537 HydrophobicContact CG-CZ2 4.18Å |
| 451 | T | 93.4 | Very high | 87.4 | Confident | 57 Ų | 57 | 54.1 Ų | 54.1 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 114.7 | 175.6 | -57 | 0 | 0 | 0 | 0 | 109.3 | V453 F526 S527 | T451-V453 PolarHBondContact O-N 3.16Å; T451-F526 WeakPolarHBondContact O-CA 3.23Å; T451-S527 PolarHBondContact N-O 3.3Å; T451-S527 PolarHBondContact O-N 2.95Å |
| 452 | R | 92.7 | Very high | 88.3 | Confident | 81 Ų | 81 | 54.3 Ų | 54.3 | 31% | 0.306 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 122.1 | 169.6 | 174.6 | 176.6 | 179.2 | -177.2 | 8.2 | 108.4 | G454 A455 E492 V524 F526 | R452-G454 PolarHBondContact O-N 3.09Å; R452-A455 HydrophobicContact CB-CB 3.75Å; R452-A455 HydrophobicContact CG-CB 4.13Å; R452-A455 VanDerWaalsContact O-CB 3.28Å; R452-A455 WeakPolarHBondContact O-CB 3.1Å; R452-A455 PolarHBondContact O-N 2.76Å; R452-E492 WeakPolarHBondContact CD-OE2 3.47Å; R452-E492 IonicContact CZ-OE1 2.72Å; R452-E492 IonicContact CZ-OE2 3.02Å; R452-E492 IonicContact NE-OE1 3.04Å; R452-E492 IonicContact NE-OE2 2.85Å; R452-E492 IonicContact NH1-OE1 3.96Å; R452-E492 PolarHBondContact NH1-OE1 3.45Å; R452-E492 IonicContact NH1-OE2 2.73Å; R452-E492 PolarHBondContact NH1-OE2 2.96Å; R452-V524 HydrophobicContact CG-CG1 3.82Å; R452-F526 HydrophobicContact CB-CD1 4.16Å; R452-F526 HydrophobicContact CB-CE1 3.83Å; R452-F526 HydrophobicContact CB-CZ 4.49Å |
| 453 | V | 89.6 | Confident | 89.3 | Confident | 55 Ų | 55 | 51.5 Ų | 51.5 | 33% | 0.333 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 126 | 176.1 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | T451 Y510 I525 | T451-V453 PolarHBondContact O-N 3.16Å; V453-Y510 HydrophobicContact CG1-CD1 4.39Å; V453-Y510 HydrophobicContact CG2-CD1 4.11Å; V453-Y510 HydrophobicContact CG2-CG 4.24Å; V453-I525 HydrophobicContact CB-CB 4.14Å; V453-I525 HydrophobicContact CB-CG2 4.46Å; V453-I525 HydrophobicContact CG2-CB 3.88Å; V453-I525 HydrophobicContact CG2-CG2 3.66Å; V453-I525 PolarHBondContact N-O 3.23Å |
| 454 | G | 86.5 | Confident | 90 | Very high | 85 Ų | 85 | 47.2 Ų | 47.2 | 88% | 0.876 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | -7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | R452 | R452-G454 PolarHBondContact O-N 3.09Š|
| 455 | A | 88.6 | Confident | 89.8 | Confident | 28 Ų | 28 | 47.7 Ų | 47.7 | 23% | 0.231 | 26% | 0.258 | C | S | . | . | trans | -85.2 | 144.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | R452 H457 | R452-A455 HydrophobicContact CB-CB 3.75Å; R452-A455 HydrophobicContact CG-CB 4.13Å; R452-A455 VanDerWaalsContact O-CB 3.28Å; R452-A455 WeakPolarHBondContact O-CB 3.1Å; R452-A455 PolarHBondContact O-N 2.76Å; A455-H457 VanDerWaalsContact C-N 3.31Å; A455-H457 PolarHBondContact O-N 3.18Å | ||
| 456 | K | 85.6 | Confident | 89.7 | Confident | 199 Ų | 199 | 47.6 Ų | 47.6 | 87% | 0.865 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -71.8 | -20.1 | -179.5 | -65.1 | -173.2 | 178 | -176.7 | 0 | 114.6 | ||
| 457 | H | 88.4 | Confident | 89.7 | Confident | 100 Ų | 100 | 46.3 Ų | 46.3 | 46% | 0.463 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -139.6 | 150.6 | -175.8 | -56.6 | -70.2 | 0 | 0 | 0 | 109.7 | A455 K472 | A455-H457 VanDerWaalsContact C-N 3.31Å; A455-H457 PolarHBondContact O-N 3.18Å; H457-K472 PolarHBondContact CD2-NZ 2.99Å; H457-K472 PolarHBondContact NE2-NZ 3.22Å |
| 458 | E | 91.6 | Very high | 89.8 | Confident | 98 Ų | 98 | 41.3 Ų | 41.3 | 46% | 0.458 | 23% | 0.23 | S | C | . | . | trans | -58.8 | 146.5 | 167.5 | 62.3 | 179.7 | -172 | 0 | 0 | 110.6 | T449 K529 | T449-E458 HydrophobicContact CG2-CB 3.82Å; T449-E458 VanDerWaalsContact CG2-CD 3.46Å; T449-E458 HydrophobicContact CG2-CG 3.83Å; T449-E458 VanDerWaalsContact CG2-OE2 3.27Å; T449-E458 WeakPolarHBondContact CG2-OE2 3.42Å; E458-K529 IonicContact OE1-NZ 2.71Å; E458-K529 WeakPolarHBondContact OE2-CE 3.43Å; E458-K529 IonicContact OE2-NZ 2.96Å; E458-K529 PolarHBondContact OE2-NZ 3Å | ||
| 459 | R | 93.9 | Very high | 89.9 | Confident | 29 Ų | 29 | 40.5 Ų | 40.5 | 11% | 0.109 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 130.4 | 177.1 | -56.6 | -158.8 | -179.4 | -66.4 | 4.3 | 108.8 | T449 L450 I461 C470 C471 K491 E492 | T449-R459 WeakPolarHBondContact CA-O 3.38Å; L450-R459 PolarHBondContact N-O 3.43Å; L450-R459 PolarHBondContact O-N 2.77Å; R459-I461 HydrophobicContact CB-CG1 4.19Å; R459-C470 HydrophobicContact CB-CB 4.26Å; R459-C471 CarbonylContact C-O 3.57Å; R459-C471 WeakPolarHBondContact CA-O 3.33Å; R459-K491 VanDerWaalsContact NH1-CG 3.25Å; R459-E492 IonicContact CZ-OE1 3.25Å; R459-E492 IonicContact NE-OE1 2.68Å; R459-E492 PolarHBondContact NE-OE1 3.27Å; R459-E492 VanDerWaalsContact NE-OE1 3.12Å; R459-E492 IonicContact NE-OE2 3.6Å; R459-E492 PolarHBondContact NE-OE2 3.4Å; R459-E492 IonicContact NH2-OE1 3.93Å; R459-E492 PolarHBondContact NH2-OE1 3.43Å |
| 460 | H | 94.2 | Very high | 89.9 | Confident | 28 Ų | 28 | 38.9 Ų | 38.9 | 13% | 0.13 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 127.7 | 164.6 | -166.7 | 78.9 | 0 | 0 | 0 | 107.9 | F462 C471 Y488 | H460-F462 AromaticContact CD2-CE1 3.8Å; H460-F462 AromaticContact CD2-CE2 3.77Å; H460-F462 AromaticContact CD2-CZ 3.43Å; H460-F462 VanDerWaalsContact CD2-CZ 3.43Å; H460-F462 WeakPolarHBondContact CD2-CZ 3.46Å; H460-F462 AromaticContact NE2-CE1 3.62Å; H460-F462 AromaticContact NE2-CZ 3.69Å; H460-C471 PolarHBondContact N-O 3.3Å; H460-C471 PolarHBondContact O-N 3.44Å; H460-Y488 HydrophobicContact CB-CD1 3.87Å; H460-Y488 HydrophobicContact CB-CE1 3.63Å; H460-Y488 AromaticContact CD2-CD1 4Å; H460-Y488 AromaticContact CD2-CE1 3.37Å; H460-Y488 WeakPolarHBondContact CD2-CE1 3.28Å; H460-Y488 AromaticContact CD2-CZ 3.63Å; H460-Y488 AromaticContact CG-CE1 3.43Å; H460-Y488 VanDerWaalsContact CG-CE1 3.43Å; H460-Y488 AromaticContact NE2-CZ 3.9Å |
| 461 | I | 94.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 129.7 | -170.1 | -57.6 | -171.3 | 0 | 0 | 0 | 110 | E447 G448 L450 R459 M468 I469 C470 F526 W537 | E447-I461 VanDerWaalsContact CA-O 3.31Å; E447-I461 WeakPolarHBondContact CA-O 3.45Å; G448-I461 PolarHBondContact N-O 3.37Å; G448-I461 VanDerWaalsContact N-O 3.07Å; G448-I461 PolarHBondContact O-N 2.93Å; L450-I461 HydrophobicContact CB-CD1 3.74Å; L450-I461 HydrophobicContact CD1-CD1 3.78Å; L450-I461 HydrophobicContact CG-CD1 4.15Å; R459-I461 HydrophobicContact CB-CG1 4.19Å; I461-M468 HydrophobicContact CG2-CG 3.51Å; I461-M468 HydrophobicContact CG2-SD 4.08Å; I461-I469 CarbonylContact C-O 3.51Å; I461-I469 WeakPolarHBondContact CA-O 3.46Å; I461-I469 WeakPolarHBondContact CG2-O 3.32Å; I461-C470 HydrophobicContact CD1-CB 4.43Å; I461-C470 HydrophobicContact CG1-CB 4.21Å; I461-F526 HydrophobicContact CD1-CD1 3.98Å; I461-F526 HydrophobicContact CD1-CE1 3.71Å; I461-F526 HydrophobicContact CD1-CZ 4.3Å; I461-W537 HydrophobicContact CB-CH2 3.56Å; I461-W537 HydrophobicContact CB-CZ2 4.02Å; I461-W537 HydrophobicContact CB-CZ3 4.41Å; I461-W537 HydrophobicContact CG2-CH2 3.41Å; I461-W537 VanDerWaalsContact CG2-CH2 3.41Å; I461-W537 HydrophobicContact CG2-CZ2 4.33Å; I461-W537 HydrophobicContact CG2-CZ3 3.82Å |
| 462 | F | 92.8 | Very high | 89.8 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 122.2 | 169.5 | -55.8 | -79.1 | 0 | 0 | 0 | 108.7 | I425 I429 F444 E447 H460 F464 I469 Y488 | I425-F462 HydrophobicContact CD1-CD1 4.17Å; I425-F462 HydrophobicContact CG1-CD1 4.3Å; I425-F462 HydrophobicContact CG1-CE1 4.34Å; I425-F462 HydrophobicContact CG2-CB 4.21Å; I425-F462 HydrophobicContact CG2-CD1 3.87Å; I425-F462 HydrophobicContact CG2-CD2 3.83Å; I425-F462 HydrophobicContact CG2-CE1 4.14Å; I425-F462 HydrophobicContact CG2-CE2 4.09Å; I425-F462 HydrophobicContact CG2-CG 3.7Å; I425-F462 HydrophobicContact CG2-CZ 4.23Å; I429-F462 HydrophobicContact CD1-CD2 4.02Å; I429-F462 HydrophobicContact CD1-CE2 4.08Å; I429-F462 HydrophobicContact CG1-CE2 4.2Å; F444-F462 HydrophobicContact CE2-CD1 4.25Å; E447-F462 HydrophobicContact CB-CD1 4.02Å; E447-F462 HydrophobicContact CB-CE1 4.37Å; H460-F462 AromaticContact CD2-CE1 3.8Å; H460-F462 AromaticContact CD2-CE2 3.77Å; H460-F462 AromaticContact CD2-CZ 3.43Å; H460-F462 VanDerWaalsContact CD2-CZ 3.43Å; H460-F462 WeakPolarHBondContact CD2-CZ 3.46Å; H460-F462 AromaticContact NE2-CE1 3.62Å; H460-F462 AromaticContact NE2-CZ 3.69Å; F462-F464 HydrophobicContact CB-CD2 4.5Å; F462-F464 HydrophobicContact CB-CE2 3.67Å; F462-F464 HydrophobicContact CB-CZ 4.3Å; F462-I469 HydrophobicContact CB-CB 4.26Å; F462-I469 HydrophobicContact CB-CD1 4.44Å; F462-I469 HydrophobicContact CD2-CB 4.5Å; F462-I469 PolarHBondContact N-O 3.17Å; F462-I469 PolarHBondContact O-N 2.93Å; F462-Y488 HydrophobicContact CE2-CD2 4.14Å; F462-Y488 HydrophobicContact CE2-CE2 4.45Å; F462-Y488 HydrophobicContact CE2-CG 4.25Å; F462-Y488 AromaticContact CZ-CD2 3.87Å; F462-Y488 HydrophobicContact CZ-CD2 3.87Å; F462-Y488 AromaticContact CZ-CE2 3.76Å; F462-Y488 HydrophobicContact CZ-CE2 3.76Å; F462-Y488 HydrophobicContact CZ-CG 4.35Å |
| 463 | L | 90.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 124.1 | 178.5 | -173.8 | 65.1 | 0 | 0 | 0 | 110.4 | I445 M446 M468 M496 W537 A540 L541 L544 | I445-L463 HydrophobicContact CB-CD2 4.37Å; I445-L463 HydrophobicContact CB-CG 4.3Å; I445-L463 WeakPolarHBondContact CB-O 3.15Å; I445-L463 HydrophobicContact CD1-CG 4.47Å; I445-L463 HydrophobicContact CG2-CD2 4.06Å; I445-L463 PolarHBondContact N-O 2.99Å; M446-L463 HydrophobicContact CG-CB 3.75Å; M446-L463 HydrophobicContact CG-CD2 3.77Å; M446-L463 HydrophobicContact CG-CG 4.37Å; M446-L463 PolarHBondContact N-O 3.21Å; M446-L463 PolarHBondContact O-N 3.2Å; M446-L463 HydrophobicContact SD-CD2 3.99Å; L463-M468 HydrophobicContact CD1-CB 3.91Å; L463-M468 HydrophobicContact CD1-CG 3.95Å; L463-M468 HydrophobicContact CD1-SD 4.45Å; L463-M496 HydrophobicContact CD1-CE 4.48Å; L463-M496 HydrophobicContact CD1-CG 4.32Å; L463-M496 HydrophobicContact CD1-SD 3.99Å; L463-W537 HydrophobicContact CB-CH2 4.42Å; L463-W537 HydrophobicContact CB-CZ3 3.96Å; L463-W537 HydrophobicContact CD2-CE3 4.45Å; L463-W537 HydrophobicContact CD2-CZ3 4.18Å; L463-A540 HydrophobicContact CD2-CB 3.77Å; L463-L541 HydrophobicContact CD1-CD2 3.68Å; L463-L541 HydrophobicContact CD2-CD2 3.84Å; L463-L541 HydrophobicContact CD2-CG 4.38Å; L463-L541 HydrophobicContact CG-CD2 4.45Å; L463-L544 HydrophobicContact CD1-CD1 4.34Å; L463-L544 HydrophobicContact CD2-CD1 4.44Å; L463-L544 HydrophobicContact CG-CD1 4.43Å |
| 464 | F | 87.7 | Confident | 89.5 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 168.9 | 171.5 | -58.7 | -92.3 | 0 | 0 | 0 | 109.6 | M422 I425 I437 C441 E443 F444 F462 G466 L467 I469 | M422-F464 HydrophobicContact CB-CE1 4.43Å; M422-F464 HydrophobicContact CE-CD1 4.25Å; M422-F464 HydrophobicContact CG-CD1 4.09Å; M422-F464 HydrophobicContact CG-CE1 3.65Å; I425-F464 HydrophobicContact CB-CZ 4.28Å; I425-F464 HydrophobicContact CD1-CE1 4.14Å; I425-F464 HydrophobicContact CD1-CZ 3.69Å; I425-F464 HydrophobicContact CG2-CE2 4.41Å; I425-F464 HydrophobicContact CG2-CZ 3.95Å; I437-F464 HydrophobicContact CD1-CE2 4.16Å; I437-F464 HydrophobicContact CD1-CZ 3.95Å; I437-F464 HydrophobicContact CG2-CD1 3.88Å; I437-F464 HydrophobicContact CG2-CD2 4.11Å; I437-F464 HydrophobicContact CG2-CE1 3.89Å; I437-F464 HydrophobicContact CG2-CE2 4.13Å; I437-F464 HydrophobicContact CG2-CG 3.99Å; I437-F464 HydrophobicContact CG2-CZ 4Å; C441-F464 HydrophobicContact CB-CB 3.89Å; C441-F464 HydrophobicContact CB-CD1 4.49Å; C441-F464 HydrophobicContact CB-CG 4.41Å; C441-F464 VanDerWaalsContact SG-CB 3.57Å; E443-F464 VanDerWaalsContact O-CA 3.29Å; E443-F464 WeakPolarHBondContact O-CA 3.46Å; E443-F464 WeakPolarHBondContact O-CB 3.42Å; F444-F464 HydrophobicContact CB-CD1 4.08Å; F444-F464 HydrophobicContact CB-CE1 3.96Å; F444-F464 HydrophobicContact CD2-CD1 4.24Å; F444-F464 AromaticContact CD2-CE1 3.72Å; F444-F464 HydrophobicContact CD2-CE1 3.72Å; F444-F464 AromaticContact CD2-CZ 3.93Å; F444-F464 HydrophobicContact CD2-CZ 3.93Å; F444-F464 HydrophobicContact CG-CE1 4.34Å; F462-F464 HydrophobicContact CB-CD2 4.5Å; F462-F464 HydrophobicContact CB-CE2 3.67Å; F462-F464 HydrophobicContact CB-CZ 4.3Å; F464-G466 VanDerWaalsContact C-N 3.3Å; F464-G466 PolarHBondContact O-N 2.9Å; F464-L467 WeakPolarHBondContact CB-O 3.31Å; F464-L467 PolarHBondContact N-O 3.24Å; F464-I469 HydrophobicContact CD2-CD1 4.08Å; F464-I469 HydrophobicContact CD2-CG1 4.39Å; F464-I469 HydrophobicContact CE2-CD1 3.48Å; F464-I469 VanDerWaalsContact CE2-CD1 3.48Å; F464-I469 HydrophobicContact CE2-CG1 4.17Å; F464-I469 HydrophobicContact CZ-CD1 4.38Å |
| 465 | D | 78.7 | Confident | 89.4 | Confident | 37 Ų | 37 | 37.8 Ų | 37.8 | 20% | 0.198 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -56 | -40.6 | 175.6 | 59.1 | -30 | 0 | 0 | 0 | 113.6 | C441 N442 E443 I445 L544 | C441-D465 WeakPolarHBondContact CA-OD1 3.3Å; C441-D465 WeakPolarHBondContact CB-OD1 3.14Å; N442-D465 VanDerWaalsContact N-CG 3.31Å; N442-D465 PolarHBondContact N-OD1 2.71Å; N442-D465 PolarHBondContact N-OD2 2.85Å; N442-D465 PolarHBondContact ND2-OD2 3.11Å; E443-D465 HydrophobicContact CB-CB 4.38Å; E443-D465 PolarHBondContact N-OD1 2.87Å; E443-D465 PolarHBondContact O-N 3.22Å; E443-D465 VanDerWaalsContact O-N 3.12Å; I445-D465 HydrophobicContact CD1-CB 4.37Å; D465-L544 HydrophobicContact CB-CD2 4.21Å |
| 466 | G | 79.3 | Confident | 89 | Confident | 8 Ų | 8 | 40.1 Ų | 40.1 | 8% | 0.082 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -99.8 | -15.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | F464 M496 | F464-G466 VanDerWaalsContact C-N 3.3Å; F464-G466 PolarHBondContact O-N 2.9Å; G466-M496 PolarHBondContact O-N 3.41Å |
| 467 | L | 87.3 | Confident | 88.8 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 137.8 | -161.6 | -156.6 | 144.7 | 0 | 0 | 0 | 112.7 | W432 C441 F464 I469 K493 F494 F495 | W432-L467 HydrophobicContact CH2-CD2 4.29Å; C441-L467 VanDerWaalsContact SG-CB 3.52Å; F464-L467 WeakPolarHBondContact CB-O 3.31Å; F464-L467 PolarHBondContact N-O 3.24Å; L467-I469 HydrophobicContact CD2-CB 4.34Å; L467-I469 HydrophobicContact CD2-CD1 4.03Å; L467-I469 HydrophobicContact CD2-CG1 3.17Å; L467-K493 HydrophobicContact CD2-CB 4.28Å; L467-F494 WeakPolarHBondContact CA-O 3.47Å; L467-F495 HydrophobicContact CD1-CD1 4.18Å; L467-F495 HydrophobicContact CD1-CE1 3.9Å |
| 468 | M | 91.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 115.7 | 171.4 | -169.7 | 178.6 | 81.3 | 0 | 0 | 109.6 | I461 L463 K493 F494 M496 I516 F526 L541 | I461-M468 HydrophobicContact CG2-CG 3.51Å; I461-M468 HydrophobicContact CG2-SD 4.08Å; L463-M468 HydrophobicContact CD1-CB 3.91Å; L463-M468 HydrophobicContact CD1-CG 3.95Å; L463-M468 HydrophobicContact CD1-SD 4.45Å; M468-K493 CarbonylContact O-C 3.58Å; M468-K493 WeakPolarHBondContact O-CA 3.38Å; M468-F494 HydrophobicContact CB-CB 4.37Å; M468-F494 HydrophobicContact CE-CD2 3.34Å; M468-F494 HydrophobicContact CE-CE2 3.82Å; M468-F494 HydrophobicContact CE-CG 4.26Å; M468-F494 PolarHBondContact N-O 2.95Å; M468-F494 PolarHBondContact O-N 3.45Å; M468-M496 HydrophobicContact CB-CG 4.45Å; M468-M496 HydrophobicContact CB-SD 3.72Å; M468-I516 HydrophobicContact CE-CD1 3.19Å; M468-I516 HydrophobicContact SD-CD1 3.94Å; M468-F526 HydrophobicContact CE-CD2 4.41Å; M468-F526 HydrophobicContact CE-CE2 3.78Å; M468-F526 HydrophobicContact CE-CZ 4.13Å; M468-L541 HydrophobicContact SD-CD2 4.22Å |
| 469 | I | 92.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 125.7 | -177.1 | -53.8 | 174.9 | 0 | 0 | 0 | 108.9 | I429 W432 I437 I461 F462 F464 L467 L490 | I429-I469 HydrophobicContact CD1-CD1 4.04Å; I429-I469 HydrophobicContact CD1-CG2 3.9Å; W432-I469 HydrophobicContact CH2-CD1 3.7Å; W432-I469 HydrophobicContact CH2-CG1 4.14Å; W432-I469 HydrophobicContact CZ3-CD1 3.56Å; W432-I469 HydrophobicContact CZ3-CG1 4.01Å; W432-I469 HydrophobicContact CZ3-CG2 4.13Å; I437-I469 HydrophobicContact CD1-CD1 3.6Å; I437-I469 HydrophobicContact CG1-CD1 4.25Å; I461-I469 CarbonylContact C-O 3.51Å; I461-I469 WeakPolarHBondContact CA-O 3.46Å; I461-I469 WeakPolarHBondContact CG2-O 3.32Å; F462-I469 HydrophobicContact CB-CB 4.26Å; F462-I469 HydrophobicContact CB-CD1 4.44Å; F462-I469 HydrophobicContact CD2-CB 4.5Å; F462-I469 PolarHBondContact N-O 3.17Å; F462-I469 PolarHBondContact O-N 2.93Å; F464-I469 HydrophobicContact CD2-CD1 4.08Å; F464-I469 HydrophobicContact CD2-CG1 4.39Å; F464-I469 HydrophobicContact CE2-CD1 3.48Å; F464-I469 VanDerWaalsContact CE2-CD1 3.48Å; F464-I469 HydrophobicContact CE2-CG1 4.17Å; F464-I469 HydrophobicContact CZ-CD1 4.38Å; L467-I469 HydrophobicContact CD2-CB 4.34Å; L467-I469 HydrophobicContact CD2-CD1 4.03Å; L467-I469 HydrophobicContact CD2-CG1 3.17Å; I469-L490 HydrophobicContact CG2-CD1 3.47Å; I469-L490 VanDerWaalsContact CG2-CD1 3.47Å |
| 470 | C | 93.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 122.7 | 174.9 | -49.2 | 0 | 0 | 0 | 0 | 111.4 | R459 I461 K491 E492 | R459-C470 HydrophobicContact CB-CB 4.26Å; I461-C470 HydrophobicContact CD1-CB 4.43Å; I461-C470 HydrophobicContact CG1-CB 4.21Å; C470-K491 WeakPolarHBondContact O-CB 3.43Å; C470-K491 PolarHBondContact O-N 2.73Å; C470-E492 HydrophobicContact CB-CB 4.12Å; C470-E492 PolarHBondContact N-O 3.37Å; C470-E492 PolarHBondContact O-N 2.85Å; C470-E492 VanDerWaalsContact O-N 3.15Å |
| 471 | C | 93.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 148.8 | -175.1 | -63.4 | 0 | 0 | 0 | 0 | 112.6 | R459 H460 Y488 R489 | R459-C471 CarbonylContact C-O 3.57Å; R459-C471 WeakPolarHBondContact CA-O 3.33Å; H460-C471 PolarHBondContact N-O 3.3Å; H460-C471 PolarHBondContact O-N 3.44Å; C471-Y488 HydrophobicContact CB-CD1 4.27Å; C471-Y488 HydrophobicContact CB-CG 4.33Å; C471-R489 CarbonylContact C-O 3.5Å; C471-R489 VanDerWaalsContact CA-O 3.24Å; C471-R489 WeakPolarHBondContact CA-O 3.4Å |
| 472 | K | 92.4 | Very high | 85.6 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 19% | 0.187 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 129.7 | 163.4 | 173.8 | 172.4 | 171.9 | 164.7 | 0 | 108.7 | H457 Y488 R489 K491 | H457-K472 PolarHBondContact CD2-NZ 2.99Å; H457-K472 PolarHBondContact NE2-NZ 3.22Å; K472-Y488 WeakPolarHBondContact O-CA 3.26Å; K472-R489 PolarHBondContact N-O 2.98Å; K472-R489 PolarHBondContact O-N 3.45Å; K472-K491 HydrophobicContact CB-CG 3.98Å |
| 473 | S | 90.9 | Very high | 84.8 | Confident | 54 Ų | 54 | 52.6 Ų | 52.6 | 38% | 0.378 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 127.8 | 170.5 | -178.4 | 0 | 0 | 0 | 0 | 110.4 | H475 | S473-H475 WeakPolarHBondContact OG-CB 3.43Å; S473-H475 PolarHBondContact OG-N 3.44Å |
| 474 | N | 86 | Confident | 84.4 | Confident | 25 Ų | 25 | 55 Ų | 55 | 13% | 0.134 | 35% | 0.349 | C | S | . | . | trans | -113.7 | 20.4 | 170.4 | -67.9 | -22.2 | 0 | 0 | 0 | 110.3 | G476 Q477 R479 E487 | N474-G476 PolarHBondContact O-N 3.25Å; N474-Q477 PolarHBondContact O-N 2.85Å; N474-R479 VanDerWaalsContact CB-NH2 3.34Å; N474-R479 PolarHBondContact O-NH2 2.95Å; N474-E487 PolarHBondContact N-O 3.04Å | ||
| 475 | H | 83.8 | Confident | 84.2 | Confident | 133 Ų | 133 | 61.6 Ų | 61.6 | 62% | 0.616 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 126 | 179 | -169.6 | 87.9 | 0 | 0 | 0 | 109.8 | S473 Q477 E487 | S473-H475 WeakPolarHBondContact OG-CB 3.43Å; S473-H475 PolarHBondContact OG-N 3.44Å; H475-Q477 VanDerWaalsContact C-N 3.3Å; H475-Q477 PolarHBondContact O-N 3.41Å; H475-E487 IonicContact CE1-OE2 2.77Å; H475-E487 IonicContact CG-OE2 2.61Å; H475-E487 IonicContact ND1-OE2 3.34Å; H475-E487 PolarHBondContact ND1-OE2 2.75Å |
| 476 | G | 80.5 | Confident | 84.6 | Confident | 78 Ų | 78 | 60.3 Ų | 60.3 | 80% | 0.804 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 0.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | N474 | N474-G476 PolarHBondContact O-N 3.25Š|
| 477 | Q | 81.1 | Confident | 85.1 | Confident | 104 Ų | 104 | 63.4 Ų | 63.4 | 49% | 0.486 | 39% | 0.391 | S | S | . | . | trans | -78.2 | 138.4 | 176.7 | -65 | -161.9 | -25.6 | 0 | 0 | 111.7 | N474 H475 R479 | N474-Q477 PolarHBondContact O-N 2.85Å; H475-Q477 VanDerWaalsContact C-N 3.3Å; H475-Q477 PolarHBondContact O-N 3.41Å; Q477-R479 WeakPolarHBondContact O-CG 3.47Å; Q477-R479 PolarHBondContact O-N 3.32Å | ||
| 478 | P | 79.3 | Confident | 85.3 | Confident | 132 Ų | 132 | 65.2 Ų | 65.2 | 86% | 0.857 | 40% | 0.397 | S | S | * | . | trans | -64.3 | 132.6 | 178.6 | 26.6 | -33.5 | 0 | 0 | 0 | 110.4 | ||||
| 479 | R | 78 | Confident | 85.3 | Confident | 74 Ų | 74 | 68.7 Ų | 68.7 | 28% | 0.279 | 41% | 0.411 | S | S | . | . | trans | -115.1 | 149.7 | 180 | -56.3 | -170.5 | -173.2 | -140.7 | 0.3 | 110.3 | N474 Q477 S484 A486 | N474-R479 VanDerWaalsContact CB-NH2 3.34Å; N474-R479 PolarHBondContact O-NH2 2.95Å; Q477-R479 WeakPolarHBondContact O-CG 3.47Å; Q477-R479 PolarHBondContact O-N 3.32Å; R479-S484 WeakPolarHBondContact CD-O 3.49Å; R479-S484 PolarHBondContact NH1-O 3.09Å; R479-A486 PolarHBondContact NH1-O 3.36Å; R479-A486 PolarHBondContact NH2-O 2.89Å | ||
| 480 | L | 81.5 | Confident | 85.3 | Confident | 141 Ų | 141 | 69.3 Ų | 69.3 | 74% | 0.738 | 41% | 0.414 | S | S | * | . | trans | -67.6 | 143.3 | 171.6 | -65.8 | 174.1 | 0 | 0 | 0 | 109.6 | G482 A483 | L480-G482 PolarHBondContact O-N 3.19Å; L480-A483 HydrophobicContact CB-CB 4.39Å; L480-A483 VanDerWaalsContact O-CB 3.29Å; L480-A483 WeakPolarHBondContact O-CB 3.4Å; L480-A483 PolarHBondContact O-N 3.04Å | ||
| 481 | P | 76.4 | Confident | 85.3 | Confident | 135 Ų | 135 | 74.4 Ų | 74.4 | 88% | 0.877 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 126 | 173.1 | -20.3 | 31 | 0 | 0 | 0 | 110.2 | ||
| 482 | G | 79.3 | Confident | 85.1 | Confident | 90 Ų | 90 | 75.7 Ų | 75.7 | 93% | 0.928 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.3 | -7.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L480 | L480-G482 PolarHBondContact O-N 3.19Š|
| 483 | A | 76.8 | Confident | 84.9 | Confident | 46 Ų | 46 | 77.1 Ų | 77.1 | 38% | 0.38 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -74.9 | 154.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L480 N485 | L480-A483 HydrophobicContact CB-CB 4.39Å; L480-A483 VanDerWaalsContact O-CB 3.29Å; L480-A483 WeakPolarHBondContact O-CB 3.4Å; L480-A483 PolarHBondContact O-N 3.04Å; A483-N485 PolarHBondContact O-N 3.44Å |
| 484 | S | 81.6 | Confident | 84.7 | Confident | 51 Ų | 51 | 75.1 Ų | 75.1 | 36% | 0.357 | 43% | 0.433 | S | S | . | . | trans | -51.7 | 135.7 | 177.9 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | D430 R479 A486 | D430-S484 WeakPolarHBondContact OD1-CB 3.26Å; R479-S484 WeakPolarHBondContact CD-O 3.49Å; R479-S484 PolarHBondContact NH1-O 3.09Å; S484-A486 VanDerWaalsContact C-N 3.35Å; S484-A486 WeakPolarHBondContact OG-CB 3.39Å; S484-A486 PolarHBondContact OG-N 3.26Å | ||
| 485 | N | 83.5 | Confident | 84.6 | Confident | 139 Ų | 139 | 77.9 Ų | 77.9 | 74% | 0.743 | 44% | 0.444 | S | S | * | . | trans | -91.6 | 4.6 | 175 | -74.2 | -43.4 | 0 | 0 | 0 | 113.1 | A483 E487 | A483-N485 PolarHBondContact O-N 3.44Å; N485-E487 PolarHBondContact O-N 3.1Å | ||
| 486 | A | 87.3 | Confident | 84.5 | Confident | 9 Ų | 9 | 71.7 Ų | 71.7 | 7% | 0.074 | 42% | 0.415 | C | S | . | . | trans | -59.6 | 126.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N428 D430 R479 S484 Y488 | N428-A486 WeakPolarHBondContact O-CB 3.4Å; D430-A486 HydrophobicContact CB-CB 4.02Å; R479-A486 PolarHBondContact NH1-O 3.36Å; R479-A486 PolarHBondContact NH2-O 2.89Å; S484-A486 VanDerWaalsContact C-N 3.35Å; S484-A486 WeakPolarHBondContact OG-CB 3.39Å; S484-A486 PolarHBondContact OG-N 3.26Å; A486-Y488 PolarHBondContact O-N 2.81Å; A486-Y488 VanDerWaalsContact O-N 3.15Å | ||
| 487 | E | 89.4 | Confident | 83.9 | Confident | 74 Ų | 74 | 71.6 Ų | 71.6 | 35% | 0.346 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -60.6 | -28.5 | -173.9 | -64.2 | -169.2 | -133.2 | 0 | 0 | 113.5 | N474 H475 N485 | N474-E487 PolarHBondContact N-O 3.04Å; H475-E487 IonicContact CE1-OE2 2.77Å; H475-E487 IonicContact CG-OE2 2.61Å; H475-E487 IonicContact ND1-OE2 3.34Å; H475-E487 PolarHBondContact ND1-OE2 2.75Å; N485-E487 PolarHBondContact O-N 3.1Å |
| 488 | Y | 92.4 | Very high | 83.3 | Confident | 41 Ų | 41 | 72.4 Ų | 72.4 | 16% | 0.161 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 147.6 | -174.3 | -58.1 | -74 | 0 | 0 | 0 | 110.7 | N428 D430 H460 F462 C471 K472 A486 | N428-Y488 HydrophobicContact CB-CD2 4.47Å; N428-Y488 WeakPolarHBondContact O-CB 3.41Å; N428-Y488 PolarHBondContact O-N 3.4Å; D430-Y488 WeakPolarHBondContact CB-O 3.46Å; D430-Y488 PolarHBondContact N-O 3.39Å; H460-Y488 HydrophobicContact CB-CD1 3.87Å; H460-Y488 HydrophobicContact CB-CE1 3.63Å; H460-Y488 AromaticContact CD2-CD1 4Å; H460-Y488 AromaticContact CD2-CE1 3.37Å; H460-Y488 WeakPolarHBondContact CD2-CE1 3.28Å; H460-Y488 AromaticContact CD2-CZ 3.63Å; H460-Y488 AromaticContact CG-CE1 3.43Å; H460-Y488 VanDerWaalsContact CG-CE1 3.43Å; H460-Y488 AromaticContact NE2-CZ 3.9Å; F462-Y488 HydrophobicContact CE2-CD2 4.14Å; F462-Y488 HydrophobicContact CE2-CE2 4.45Å; F462-Y488 HydrophobicContact CE2-CG 4.25Å; F462-Y488 AromaticContact CZ-CD2 3.87Å; F462-Y488 HydrophobicContact CZ-CD2 3.87Å; F462-Y488 AromaticContact CZ-CE2 3.76Å; F462-Y488 HydrophobicContact CZ-CE2 3.76Å; F462-Y488 HydrophobicContact CZ-CG 4.35Å; C471-Y488 HydrophobicContact CB-CD1 4.27Å; C471-Y488 HydrophobicContact CB-CG 4.33Å; K472-Y488 WeakPolarHBondContact O-CA 3.26Å; A486-Y488 PolarHBondContact O-N 2.81Å; A486-Y488 VanDerWaalsContact O-N 3.15Å |
| 489 | R | 91.5 | Very high | 83.2 | Confident | 74 Ų | 74 | 66.3 Ų | 66.3 | 28% | 0.279 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.5 | 170.1 | 179 | 73.3 | -176.9 | 81 | 2 | 109.2 | D430 G431 C471 K472 K491 | D430-R489 WeakPolarHBondContact O-CD 3.33Å; D430-R489 PolarHBondContact O-NH1 2.7Å; D430-R489 VanDerWaalsContact OD2-CD 3.3Å; D430-R489 WeakPolarHBondContact OD2-CD 3.36Å; D430-R489 IonicContact OD2-NE 3.27Å; G431-R489 PolarHBondContact O-NH1 2.92Å; C471-R489 CarbonylContact C-O 3.5Å; C471-R489 VanDerWaalsContact CA-O 3.24Å; C471-R489 WeakPolarHBondContact CA-O 3.4Å; K472-R489 PolarHBondContact N-O 2.98Å; K472-R489 PolarHBondContact O-N 3.45Å; R489-K491 PolarHBondContact O-N 3.36Å |
| 490 | L | 93.1 | Very high | 83.3 | Confident | 13 Ų | 13 | 67.6 Ų | 67.6 | 7% | 0.068 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 137.5 | 177.3 | -173 | 61.1 | 0 | 0 | 0 | 110.9 | I429 D430 W432 I469 E492 | I429-L490 HydrophobicContact CG2-CB 3.63Å; I429-L490 HydrophobicContact CG2-CD1 4.4Å; D430-L490 PolarHBondContact O-N 3.04Å; W432-L490 HydrophobicContact CE3-CD2 4.04Å; W432-L490 HydrophobicContact CZ3-CD1 4.42Å; W432-L490 HydrophobicContact CZ3-CD2 4.47Å; I469-L490 HydrophobicContact CG2-CD1 3.47Å; I469-L490 VanDerWaalsContact CG2-CD1 3.47Å; L490-E492 WeakPolarHBondContact CD1-O 3.36Å |
| 491 | K | 92.4 | Very high | 83.6 | Confident | 106 Ų | 106 | 61.2 Ų | 61.2 | 46% | 0.461 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | -46.2 | 175.7 | -69.7 | -68.3 | -179.3 | -166.6 | 0 | 112.6 | R459 C470 K472 R489 | R459-K491 VanDerWaalsContact NH1-CG 3.25Å; C470-K491 WeakPolarHBondContact O-CB 3.43Å; C470-K491 PolarHBondContact O-N 2.73Å; K472-K491 HydrophobicContact CB-CG 3.98Å; R489-K491 PolarHBondContact O-N 3.36Å |
| 492 | E | 89.2 | Confident | 84.1 | Confident | 28 Ų | 28 | 58 Ų | 58 | 13% | 0.131 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 151.7 | 176.8 | -74.7 | 136.4 | -134.5 | 0 | 0 | 109.1 | R452 R459 C470 L490 F494 | R452-E492 WeakPolarHBondContact CD-OE2 3.47Å; R452-E492 IonicContact CZ-OE1 2.72Å; R452-E492 IonicContact CZ-OE2 3.02Å; R452-E492 IonicContact NE-OE1 3.04Å; R452-E492 IonicContact NE-OE2 2.85Å; R452-E492 IonicContact NH1-OE1 3.96Å; R452-E492 PolarHBondContact NH1-OE1 3.45Å; R452-E492 IonicContact NH1-OE2 2.73Å; R452-E492 PolarHBondContact NH1-OE2 2.96Å; R459-E492 IonicContact CZ-OE1 3.25Å; R459-E492 IonicContact NE-OE1 2.68Å; R459-E492 PolarHBondContact NE-OE1 3.27Å; R459-E492 VanDerWaalsContact NE-OE1 3.12Å; R459-E492 IonicContact NE-OE2 3.6Å; R459-E492 PolarHBondContact NE-OE2 3.4Å; R459-E492 IonicContact NH2-OE1 3.93Å; R459-E492 PolarHBondContact NH2-OE1 3.43Å; C470-E492 HydrophobicContact CB-CB 4.12Å; C470-E492 PolarHBondContact N-O 3.37Å; C470-E492 PolarHBondContact O-N 2.85Å; C470-E492 VanDerWaalsContact O-N 3.15Å; L490-E492 WeakPolarHBondContact CD1-O 3.36Å; E492-F494 HydrophobicContact CB-CE2 3.73Å; E492-F494 HydrophobicContact CB-CZ 3.75Å; E492-F494 HydrophobicContact CG-CE2 4.41Å; E492-F494 HydrophobicContact CG-CZ 3.98Å; E492-F494 WeakPolarHBondContact OE2-CZ 3.38Å |
| 493 | K | 88.9 | Confident | 84.6 | Confident | 72 Ų | 72 | 55.3 Ų | 55.3 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 133.9 | 165.7 | 63.9 | -179.5 | -179.3 | 179.4 | 0 | 107.7 | E433 L467 M468 | E433-K493 PolarHBondContact O-NZ 2.87Å; L467-K493 HydrophobicContact CD2-CB 4.28Å; M468-K493 CarbonylContact O-C 3.58Å; M468-K493 WeakPolarHBondContact O-CA 3.38Å |
| 494 | F | 87.5 | Confident | 85.1 | Confident | 12 Ų | 12 | 55.4 Ų | 55.4 | 5% | 0.053 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.5 | 176.2 | -55.6 | -74.9 | 0 | 0 | 0 | 108.9 | L467 M468 E492 M496 V499 I516 L518 V524 F526 | L467-F494 WeakPolarHBondContact CA-O 3.47Å; M468-F494 HydrophobicContact CB-CB 4.37Å; M468-F494 HydrophobicContact CE-CD2 3.34Å; M468-F494 HydrophobicContact CE-CE2 3.82Å; M468-F494 HydrophobicContact CE-CG 4.26Å; M468-F494 PolarHBondContact N-O 2.95Å; M468-F494 PolarHBondContact O-N 3.45Å; E492-F494 HydrophobicContact CB-CE2 3.73Å; E492-F494 HydrophobicContact CB-CZ 3.75Å; E492-F494 HydrophobicContact CG-CE2 4.41Å; E492-F494 HydrophobicContact CG-CZ 3.98Å; E492-F494 WeakPolarHBondContact OE2-CZ 3.38Å; F494-M496 PolarHBondContact O-N 3.08Å; F494-V499 HydrophobicContact CB-CG2 4.36Å; F494-I516 HydrophobicContact CD1-CG2 4.42Å; F494-L518 HydrophobicContact CD1-CD1 3.78Å; F494-L518 HydrophobicContact CD1-CD2 3.72Å; F494-L518 HydrophobicContact CD1-CG 4.36Å; F494-L518 HydrophobicContact CE1-CD1 3.63Å; F494-L518 HydrophobicContact CE1-CD2 4.38Å; F494-V524 HydrophobicContact CE1-CG2 4.27Å; F494-V524 HydrophobicContact CZ-CG2 4.18Å; F494-F526 HydrophobicContact CE2-CE2 4.06Å; F494-F526 AromaticContact CE2-CZ 3.91Å; F494-F526 HydrophobicContact CE2-CZ 3.91Å; F494-F526 HydrophobicContact CZ-CZ 4.46Å |
| 495 | F | 83.5 | Confident | 85.2 | Confident | 83 Ų | 83 | 59.6 Ų | 59.6 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 110.6 | 171.1 | -68.2 | -77.2 | 0 | 0 | 0 | 108.1 | L467 R497 K498 V499 | L467-F495 HydrophobicContact CD1-CD1 4.18Å; L467-F495 HydrophobicContact CD1-CE1 3.9Å; F495-R497 PolarHBondContact O-N 2.72Å; F495-K498 PolarHBondContact O-N 2.89Å; F495-V499 WeakPolarHBondContact O-CG2 3.38Å |
| 496 | M | 80.8 | Confident | 85.3 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.02 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -54.4 | -22.6 | -173.7 | -72.7 | -54.7 | -59.7 | 0 | 0 | 113.3 | K170 L463 G466 M468 F494 L541 L544 | K170-M496 WeakPolarHBondContact CE-O 3.24Å; K170-M496 PolarHBondContact NZ-O 3.3Å; L463-M496 HydrophobicContact CD1-CE 4.48Å; L463-M496 HydrophobicContact CD1-CG 4.32Å; L463-M496 HydrophobicContact CD1-SD 3.99Å; G466-M496 PolarHBondContact O-N 3.41Å; M468-M496 HydrophobicContact CB-CG 4.45Å; M468-M496 HydrophobicContact CB-SD 3.72Å; F494-M496 PolarHBondContact O-N 3.08Å; M496-L541 HydrophobicContact CE-CD2 3.43Å; M496-L541 VanDerWaalsContact CE-CD2 3.43Å; M496-L541 HydrophobicContact SD-CD2 4.07Å; M496-L544 HydrophobicContact CE-CD1 4.26Å; M496-L544 HydrophobicContact CG-CD1 4.43Å |
| 497 | R | 68.6 | Low | 85.3 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 29% | 0.287 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -66 | -34.8 | 177 | -59 | -178.9 | -70.1 | 179.8 | -6.1 | 114.4 | C167 F495 | C167-R497 WeakPolarHBondContact O-CD 3.39Å; F495-R497 PolarHBondContact O-N 2.72Å |
| 498 | K | 67.6 | Low | 84.7 | Confident | 121 Ų | 121 | 64.4 Ų | 64.4 | 53% | 0.526 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -95.9 | 12.1 | -178.1 | -68.3 | -168.1 | 175 | -170.4 | 0 | 113.6 | F495 K519 | F495-K498 PolarHBondContact O-N 2.89Å; K498-K519 PolarHBondContact O-N 3.32Å |
| 499 | V | 77.2 | Confident | 84.2 | Confident | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.018 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.4 | -174.5 | -163.7 | 0 | 0 | 0 | 0 | 111.5 | K170 F494 F495 I501 I516 I517 L518 | K170-V499 PolarHBondContact NZ-O 3.11Å; F494-V499 HydrophobicContact CB-CG2 4.36Å; F495-V499 WeakPolarHBondContact O-CG2 3.38Å; V499-I501 HydrophobicContact CB-CD1 3.93Å; V499-I501 HydrophobicContact CG1-CD1 3.24Å; V499-I516 HydrophobicContact CG1-CB 3.92Å; V499-I516 HydrophobicContact CG1-CG1 3.96Å; V499-I516 HydrophobicContact CG1-CG2 3.5Å; V499-I517 WeakPolarHBondContact CA-O 3.29Å; V499-L518 HydrophobicContact CB-CD2 4.49Å; V499-L518 HydrophobicContact CG1-CD2 4.35Å; V499-L518 HydrophobicContact CG2-CD2 3.67Å |
| 500 | Q | 81.9 | Confident | 83.9 | Confident | 101 Ų | 101 | 68.7 Ų | 68.7 | 47% | 0.472 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 131 | 158.2 | -68.7 | -174.8 | -9.2 | 0 | 0 | 110 | I517 | Q500-I517 HydrophobicContact CB-CB 4.32Å; Q500-I517 PolarHBondContact N-O 3.08Å; Q500-I517 PolarHBondContact O-N 3.43Å |
| 501 | I | 87.5 | Confident | 83.8 | Confident | 8 Ų | 8 | 74.2 Ų | 74.2 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 123.8 | 177.5 | -56.8 | -7.4 | 0 | 0 | 0 | 108 | V499 F514 E515 I516 M538 L541 I542 Q545 | V499-I501 HydrophobicContact CB-CD1 3.93Å; V499-I501 HydrophobicContact CG1-CD1 3.24Å; I501-F514 HydrophobicContact CG2-CB 4.48Å; I501-F514 HydrophobicContact CG2-CD2 4.28Å; I501-E515 WeakPolarHBondContact CA-O 3.26Å; I501-I516 HydrophobicContact CD1-CG1 3.97Å; I501-M538 HydrophobicContact CG2-CE 4.07Å; I501-M538 HydrophobicContact CG2-SD 3.76Å; I501-L541 HydrophobicContact CG1-CB 3.84Å; I501-L541 HydrophobicContact CG1-CD1 4.43Å; I501-I542 HydrophobicContact CB-CD1 3.95Å; I501-I542 HydrophobicContact CG2-CD1 4.04Å; I501-Q545 VanDerWaalsContact N-OE1 3.13Å |
| 502 | N | 87.2 | Confident | 83.7 | Confident | 66 Ų | 66 | 71.4 Ų | 71.4 | 35% | 0.353 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 137.6 | 174.7 | -171.1 | 22.1 | 0 | 0 | 0 | 110.3 | F514 E515 I517 | N502-F514 CarbonylContact O-C 3.59Å; N502-F514 WeakPolarHBondContact O-CA 3.45Å; N502-E515 HydrophobicContact CB-CB 4.35Å; N502-E515 PolarHBondContact N-O 3.5Å; N502-E515 PolarHBondContact O-N 3.35Å; N502-I517 HydrophobicContact CB-CD1 4.32Å |
| 503 | D | 88.1 | Confident | 83.9 | Confident | 35 Ų | 35 | 70.1 Ų | 70.1 | 19% | 0.187 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 142.9 | 175.2 | -167.6 | 13.5 | 0 | 0 | 0 | 110.3 | Y337 K534 M538 | Y337-D503 PolarHBondContact OH-OD2 3.17Å; D503-K534 WeakPolarHBondContact OD1-CE 3.46Å; D503-K534 IonicContact OD1-NZ 3.02Å; D503-K534 PolarHBondContact OD1-NZ 3.39Å; D503-K534 IonicContact OD2-NZ 3.81Å; D503-M538 HydrophobicContact CB-CE 4.03Å |
| 504 | K | 87.7 | Confident | 84.2 | Confident | 48 Ų | 48 | 66.7 Ų | 66.7 | 21% | 0.209 | 32% | 0.321 | C | S | . | . | trans | -118.8 | 131.3 | 176 | -68.8 | -67.5 | -176.3 | -174.4 | 0 | 110.4 | Y510 A513 E515 K534 | K504-Y510 HydrophobicContact CB-CE2 4.04Å; K504-A513 HydrophobicContact CB-CB 4.31Å; K504-A513 PolarHBondContact N-O 3.4Å; K504-E515 HydrophobicContact CD-CB 4.37Å; K504-E515 VanDerWaalsContact CE-CB 3.41Å; K504-E515 WeakPolarHBondContact CE-OE2 3.4Å; K504-E515 HydrophobicContact CG-CB 4Å; K504-E515 IonicContact NZ-OE1 3.51Å; K504-E515 IonicContact NZ-OE2 3.46Å; K504-E515 PolarHBondContact NZ-OE2 3.21Å; K504-K534 PolarHBondContact O-NZ 3.26Å | ||
| 505 | D | 83.1 | Confident | 84.4 | Confident | 139 Ų | 139 | 67.1 Ų | 67.1 | 74% | 0.743 | 32% | 0.324 | S | S | * | . | trans | -64.9 | 148.8 | 169.8 | -64.7 | -37.9 | 0 | 0 | 0 | 110.2 | T507 | D505-T507 PolarHBondContact O-N 3.11Š| ||
| 506 | D | 86.2 | Confident | 84.8 | Confident | 85 Ų | 85 | 63.2 Ų | 63.2 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | trans | -64.4 | 131.6 | 179 | -74.5 | -10.9 | 0 | 0 | 0 | 110.5 | K511 H512 | D506-K511 HydrophobicContact CB-CG 4.34Å; D506-K511 WeakPolarHBondContact OD1-CA 3.43Å; D506-H512 PolarHBondContact OD1-N 2.88Å | ||
| 507 | T | 87.4 | Confident | 85 | Confident | 55 Ų | 55 | 66 Ų | 66 | 34% | 0.337 | 32% | 0.321 | S | S | . | . | trans | -119 | 177.2 | 175.4 | 65.5 | 0 | 0 | 0 | 0 | 110.1 | D505 E509 Y510 | D505-T507 PolarHBondContact O-N 3.11Å; T507-E509 PolarHBondContact O-N 3.31Å; T507-E509 PolarHBondContact OG1-N 2.98Å; T507-Y510 HydrophobicContact CG2-CE1 4.48Å; T507-Y510 HydrophobicContact CG2-CE2 3.97Å; T507-Y510 PolarHBondContact N-O 2.89Å; T507-Y510 VanDerWaalsContact O-O 3.08Å; T507-Y510 WeakPolarHBondContact OG1-CE1 3.39Å; T507-Y510 PolarHBondContact OG1-N 3.14Å | ||
| 508 | N | 78 | Confident | 85.7 | Confident | 182 Ų | 182 | 63.2 Ų | 63.2 | 97% | 0.973 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -65.5 | -21.1 | 173.2 | -69.4 | -21.9 | 0 | 0 | 0 | 112.6 | ||
| 509 | E | 80.7 | Confident | 85.8 | Confident | 167 Ų | 167 | 62.8 Ų | 62.8 | 78% | 0.78 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -93.9 | -31.8 | -174.8 | -63.8 | -174.4 | 175.5 | 0 | 0 | 113.2 | T507 | T507-E509 PolarHBondContact O-N 3.31Å; T507-E509 PolarHBondContact OG1-N 2.98Å |
| 510 | Y | 85.8 | Confident | 85.7 | Confident | 38 Ų | 38 | 70.2 Ų | 70.2 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | trans | -147.7 | 146.6 | -179.6 | 52 | -98.4 | 0 | 0 | 0 | 111.2 | V453 K504 T507 A513 I525 | V453-Y510 HydrophobicContact CG1-CD1 4.39Å; V453-Y510 HydrophobicContact CG2-CD1 4.11Å; V453-Y510 HydrophobicContact CG2-CG 4.24Å; K504-Y510 HydrophobicContact CB-CE2 4.04Å; T507-Y510 HydrophobicContact CG2-CE1 4.48Å; T507-Y510 HydrophobicContact CG2-CE2 3.97Å; T507-Y510 PolarHBondContact N-O 2.89Å; T507-Y510 VanDerWaalsContact O-O 3.08Å; T507-Y510 WeakPolarHBondContact OG1-CE1 3.39Å; T507-Y510 PolarHBondContact OG1-N 3.14Å; Y510-A513 HydrophobicContact CD2-CB 3.39Å; Y510-A513 HydrophobicContact CE2-CB 4.01Å; Y510-A513 HydrophobicContact CG-CB 4.13Å; Y510-I525 HydrophobicContact CE1-CD1 4.19Å | ||
| 511 | K | 89.9 | Confident | 85.5 | Confident | 130 Ų | 130 | 72 Ų | 72 | 57% | 0.565 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -123.8 | 155.7 | 173.5 | -64.6 | -172.6 | 177.9 | -175 | 0 | 110.3 | D506 A513 S527 | D506-K511 HydrophobicContact CB-CG 4.34Å; D506-K511 WeakPolarHBondContact OD1-CA 3.43Å; K511-A513 PolarHBondContact O-N 2.54Å; K511-S527 PolarHBondContact O-OG 3.16Å |
| 512 | H | 91.9 | Very high | 85.3 | Confident | 47 Ų | 47 | 78.7 Ų | 78.7 | 22% | 0.218 | 39% | 0.394 | C | S | . | . | S | Bend | trans | 50.8 | 46.4 | 179.3 | -41.5 | 125.2 | 0 | 0 | 0 | 112.1 | D506 A528 K534 | D506-H512 PolarHBondContact OD1-N 2.88Å; H512-A528 HydrophobicContact CB-CB 4.31Å; H512-A528 PolarHBondContact O-N 3.34Å; H512-K534 HydrophobicContact CB-CB 3.96Å; H512-K534 HydrophobicContact CB-CD 4.08Å |
| 513 | A | 93.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 158.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K504 Y510 K511 I525 F526 K534 | K504-A513 HydrophobicContact CB-CB 4.31Å; K504-A513 PolarHBondContact N-O 3.4Å; Y510-A513 HydrophobicContact CD2-CB 3.39Å; Y510-A513 HydrophobicContact CE2-CB 4.01Å; Y510-A513 HydrophobicContact CG-CB 4.13Å; K511-A513 PolarHBondContact O-N 2.54Å; A513-I525 HydrophobicContact CB-CG2 3.84Å; A513-F526 CarbonylContact C-O 3.59Å; A513-F526 WeakPolarHBondContact CA-O 3.41Å; A513-F526 WeakPolarHBondContact CB-O 3.24Å; A513-K534 WeakPolarHBondContact O-CE 3.08Å; A513-K534 PolarHBondContact O-NZ 3.34Å |
| 514 | F | 93.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 152.9 | 168 | 60.9 | -93.9 | 0 | 0 | 0 | 109.7 | L450 I501 N502 I516 I525 F526 W537 M538 L541 | L450-F514 HydrophobicContact CD1-CE1 3.82Å; L450-F514 HydrophobicContact CD1-CZ 3.47Å; L450-F514 VanDerWaalsContact CD1-CZ 3.47Å; L450-F514 HydrophobicContact CD2-CE1 4.34Å; I501-F514 HydrophobicContact CG2-CB 4.48Å; I501-F514 HydrophobicContact CG2-CD2 4.28Å; N502-F514 CarbonylContact O-C 3.59Å; N502-F514 WeakPolarHBondContact O-CA 3.45Å; F514-I516 HydrophobicContact CD2-CG1 4.33Å; F514-I516 HydrophobicContact CE2-CD1 4.03Å; F514-I516 HydrophobicContact CE2-CG1 4.19Å; F514-I525 WeakPolarHBondContact O-CA 3.49Å; F514-F526 HydrophobicContact CD2-CB 4.43Å; F514-F526 HydrophobicContact CE1-CB 4.13Å; F514-F526 HydrophobicContact CE2-CB 3.91Å; F514-F526 HydrophobicContact CE2-CD2 4.2Å; F514-F526 HydrophobicContact CE2-CG 4.42Å; F514-F526 HydrophobicContact CZ-CB 3.76Å; F514-F526 HydrophobicContact CZ-CG 4.44Å; F514-F526 PolarHBondContact N-O 2.85Å; F514-F526 PolarHBondContact O-N 3.29Å; F514-W537 HydrophobicContact CE1-CB 3.87Å; F514-W537 HydrophobicContact CE1-CG 4.35Å; F514-W537 HydrophobicContact CZ-CB 4.29Å; F514-M538 HydrophobicContact CB-SD 3.52Å; F514-M538 VanDerWaalsContact CB-SD 3.52Å; F514-M538 HydrophobicContact CD1-SD 4.17Å; F514-M538 HydrophobicContact CG-SD 3.87Å; F514-L541 HydrophobicContact CD2-CD1 4.14Å; F514-L541 HydrophobicContact CE1-CD1 4.44Å; F514-L541 HydrophobicContact CE2-CD1 3.5Å; F514-L541 HydrophobicContact CZ-CD1 3.67Å |
| 515 | E | 92.6 | Very high | 85.7 | Confident | 22 Ų | 22 | 76 Ų | 76 | 10% | 0.103 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 133.4 | -178.9 | 177.6 | 178.9 | -131.4 | 0 | 0 | 110.7 | I501 N502 K504 I517 S523 I525 | I501-E515 WeakPolarHBondContact CA-O 3.26Å; N502-E515 HydrophobicContact CB-CB 4.35Å; N502-E515 PolarHBondContact N-O 3.5Å; N502-E515 PolarHBondContact O-N 3.35Å; K504-E515 HydrophobicContact CD-CB 4.37Å; K504-E515 VanDerWaalsContact CE-CB 3.41Å; K504-E515 WeakPolarHBondContact CE-OE2 3.4Å; K504-E515 HydrophobicContact CG-CB 4Å; K504-E515 IonicContact NZ-OE1 3.51Å; K504-E515 IonicContact NZ-OE2 3.46Å; K504-E515 PolarHBondContact NZ-OE2 3.21Å; E515-I517 HydrophobicContact CG-CG1 3.92Å; E515-S523 WeakPolarHBondContact OE1-CB 3.45Å; E515-S523 PolarHBondContact OE1-OG 3.43Å; E515-I525 HydrophobicContact CB-CG1 4.33Å; E515-I525 HydrophobicContact CG-CG1 4.4Å |
| 516 | I | 91.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 107.8 | 172.9 | -82.6 | -179 | 0 | 0 | 0 | 106.6 | M468 F494 V499 I501 F514 L518 S523 V524 F526 | M468-I516 HydrophobicContact CE-CD1 3.19Å; M468-I516 HydrophobicContact SD-CD1 3.94Å; F494-I516 HydrophobicContact CD1-CG2 4.42Å; V499-I516 HydrophobicContact CG1-CB 3.92Å; V499-I516 HydrophobicContact CG1-CG1 3.96Å; V499-I516 HydrophobicContact CG1-CG2 3.5Å; I501-I516 HydrophobicContact CD1-CG1 3.97Å; F514-I516 HydrophobicContact CD2-CG1 4.33Å; F514-I516 HydrophobicContact CE2-CD1 4.03Å; F514-I516 HydrophobicContact CE2-CG1 4.19Å; I516-L518 HydrophobicContact CG2-CD2 3.82Å; I516-L518 HydrophobicContact CG2-CG 4.09Å; I516-S523 CarbonylContact O-C 3.6Å; I516-S523 VanDerWaalsContact O-CA 3.25Å; I516-S523 WeakPolarHBondContact O-CA 3.38Å; I516-S523 WeakPolarHBondContact O-CB 3.45Å; I516-V524 HydrophobicContact CG2-CB 4.48Å; I516-V524 PolarHBondContact N-O 3.05Å; I516-V524 PolarHBondContact O-N 3.19Å; I516-F526 HydrophobicContact CD1-CD2 3.86Å; I516-F526 HydrophobicContact CD1-CE2 3.84Å; I516-F526 HydrophobicContact CG1-CD2 4.48Å |
| 517 | I | 86.8 | Confident | 86.6 | Confident | 62 Ų | 62 | 66.3 Ų | 66.3 | 32% | 0.318 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 118.7 | 177.2 | -54.1 | 175.7 | 0 | 0 | 0 | 107.6 | V499 Q500 N502 E515 | V499-I517 WeakPolarHBondContact CA-O 3.29Å; Q500-I517 HydrophobicContact CB-CB 4.32Å; Q500-I517 PolarHBondContact N-O 3.08Å; Q500-I517 PolarHBondContact O-N 3.43Å; N502-I517 HydrophobicContact CB-CD1 4.32Å; E515-I517 HydrophobicContact CG-CG1 3.92Å |
| 518 | L | 82.6 | Confident | 86.9 | Confident | 19 Ų | 19 | 64 Ų | 64 | 10% | 0.099 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 136.8 | -179 | -60.2 | 171.8 | 0 | 0 | 0 | 109.3 | F494 V499 I516 D520 E521 V524 | F494-L518 HydrophobicContact CD1-CD1 3.78Å; F494-L518 HydrophobicContact CD1-CD2 3.72Å; F494-L518 HydrophobicContact CD1-CG 4.36Å; F494-L518 HydrophobicContact CE1-CD1 3.63Å; F494-L518 HydrophobicContact CE1-CD2 4.38Å; V499-L518 HydrophobicContact CB-CD2 4.49Å; V499-L518 HydrophobicContact CG1-CD2 4.35Å; V499-L518 HydrophobicContact CG2-CD2 3.67Å; I516-L518 HydrophobicContact CG2-CD2 3.82Å; I516-L518 HydrophobicContact CG2-CG 4.09Å; L518-D520 PolarHBondContact O-N 2.99Å; L518-E521 HydrophobicContact CB-CB 3.77Å; L518-E521 HydrophobicContact CD1-CB 3.94Å; L518-E521 WeakPolarHBondContact CD1-OE2 3.43Å; L518-E521 HydrophobicContact CG-CB 4.5Å; L518-E521 PolarHBondContact O-N 3.16Å; L518-V524 HydrophobicContact CD1-CG2 4.48Å |
| 519 | K | 68.9 | Low | 87.6 | Confident | 111 Ų | 111 | 61 Ų | 61 | 48% | 0.483 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 119.5 | 170.8 | -149.3 | 175.2 | -174.4 | 179.3 | 0 | 107.7 | D174 K498 E521 | D174-K519 IonicContact OD1-NZ 2.86Å; D174-K519 PolarHBondContact OD1-NZ 3.31Å; K498-K519 PolarHBondContact O-N 3.32Å; K519-E521 VanDerWaalsContact C-N 3.34Å; K519-E521 PolarHBondContact O-N 3.04Å |
| 520 | D | 75.1 | Confident | 88.1 | Confident | 160 Ų | 160 | 54.8 Ų | 54.8 | 86% | 0.856 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 9.4 | 179.2 | -45.7 | -47.5 | 0 | 0 | 0 | 117.7 | L518 | L518-D520 PolarHBondContact O-N 2.99Š|
| 521 | E | 78.3 | Confident | 88.2 | Confident | 137 Ų | 137 | 55.1 Ų | 55.1 | 64% | 0.64 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -127.6 | 162.7 | 174 | -67.1 | -175.1 | -170.7 | 0 | 0 | 112.3 | L518 K519 | L518-E521 HydrophobicContact CB-CB 3.77Å; L518-E521 HydrophobicContact CD1-CB 3.94Å; L518-E521 WeakPolarHBondContact CD1-OE2 3.43Å; L518-E521 HydrophobicContact CG-CB 4.5Å; L518-E521 PolarHBondContact O-N 3.16Å; K519-E521 VanDerWaalsContact C-N 3.34Å; K519-E521 PolarHBondContact O-N 3.04Å |
| 522 | N | 83.6 | Confident | 88 | Confident | 149 Ų | 149 | 51.8 Ų | 51.8 | 80% | 0.797 | 27% | 0.272 | S | S | * | . | trans | -63.5 | 138.9 | 175.4 | -69.8 | -21.9 | 0 | 0 | 0 | 110.8 | ||||
| 523 | S | 87.6 | Confident | 87.8 | Confident | 55 Ų | 55 | 52.6 Ų | 52.6 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | trans | -63.7 | 148.6 | 176 | 65.1 | 0 | 0 | 0 | 0 | 112 | E515 I516 | E515-S523 WeakPolarHBondContact OE1-CB 3.45Å; E515-S523 PolarHBondContact OE1-OG 3.43Å; I516-S523 CarbonylContact O-C 3.6Å; I516-S523 VanDerWaalsContact O-CA 3.25Å; I516-S523 WeakPolarHBondContact O-CA 3.38Å; I516-S523 WeakPolarHBondContact O-CB 3.45Å | ||
| 524 | V | 91.3 | Very high | 87.8 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.6 | -178.6 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | R452 F494 I516 L518 F526 | R452-V524 HydrophobicContact CG-CG1 3.82Å; F494-V524 HydrophobicContact CE1-CG2 4.27Å; F494-V524 HydrophobicContact CZ-CG2 4.18Å; I516-V524 HydrophobicContact CG2-CB 4.48Å; I516-V524 PolarHBondContact N-O 3.05Å; I516-V524 PolarHBondContact O-N 3.19Å; L518-V524 HydrophobicContact CD1-CG2 4.48Å; V524-F526 HydrophobicContact CB-CE2 4.26Å; V524-F526 HydrophobicContact CG1-CD2 4.12Å; V524-F526 HydrophobicContact CG1-CE2 3.56Å; V524-F526 HydrophobicContact CG1-CZ 3.91Å |
| 525 | I | 92.8 | Very high | 87.6 | Confident | 30 Ų | 30 | 54.5 Ų | 54.5 | 15% | 0.154 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 126.4 | 177.3 | -55.6 | 177.2 | 0 | 0 | 0 | 109.4 | V453 Y510 A513 F514 E515 | V453-I525 HydrophobicContact CB-CB 4.14Å; V453-I525 HydrophobicContact CB-CG2 4.46Å; V453-I525 HydrophobicContact CG2-CB 3.88Å; V453-I525 HydrophobicContact CG2-CG2 3.66Å; V453-I525 PolarHBondContact N-O 3.23Å; Y510-I525 HydrophobicContact CE1-CD1 4.19Å; A513-I525 HydrophobicContact CB-CG2 3.84Å; F514-I525 WeakPolarHBondContact O-CA 3.49Å; E515-I525 HydrophobicContact CB-CG1 4.33Å; E515-I525 HydrophobicContact CG-CG1 4.4Å |
| 526 | F | 94.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 135.7 | 172.3 | -74.6 | -80 | 0 | 0 | 0 | 110.2 | L450 T451 R452 I461 M468 F494 A513 F514 I516 V524 | L450-F526 HydrophobicContact CB-CB 4.33Å; L450-F526 HydrophobicContact CB-CD1 3.87Å; L450-F526 HydrophobicContact CB-CG 4.48Å; L450-F526 HydrophobicContact CD1-CB 4.17Å; L450-F526 HydrophobicContact CD1-CD1 4.48Å; L450-F526 HydrophobicContact CD1-CG 4.43Å; T451-F526 WeakPolarHBondContact O-CA 3.23Å; R452-F526 HydrophobicContact CB-CD1 4.16Å; R452-F526 HydrophobicContact CB-CE1 3.83Å; R452-F526 HydrophobicContact CB-CZ 4.49Å; I461-F526 HydrophobicContact CD1-CD1 3.98Å; I461-F526 HydrophobicContact CD1-CE1 3.71Å; I461-F526 HydrophobicContact CD1-CZ 4.3Å; M468-F526 HydrophobicContact CE-CD2 4.41Å; M468-F526 HydrophobicContact CE-CE2 3.78Å; M468-F526 HydrophobicContact CE-CZ 4.13Å; F494-F526 HydrophobicContact CE2-CE2 4.06Å; F494-F526 AromaticContact CE2-CZ 3.91Å; F494-F526 HydrophobicContact CE2-CZ 3.91Å; F494-F526 HydrophobicContact CZ-CZ 4.46Å; A513-F526 CarbonylContact C-O 3.59Å; A513-F526 WeakPolarHBondContact CA-O 3.41Å; A513-F526 WeakPolarHBondContact CB-O 3.24Å; F514-F526 HydrophobicContact CD2-CB 4.43Å; F514-F526 HydrophobicContact CE1-CB 4.13Å; F514-F526 HydrophobicContact CE2-CB 3.91Å; F514-F526 HydrophobicContact CE2-CD2 4.2Å; F514-F526 HydrophobicContact CE2-CG 4.42Å; F514-F526 HydrophobicContact CZ-CB 3.76Å; F514-F526 HydrophobicContact CZ-CG 4.44Å; F514-F526 PolarHBondContact N-O 2.85Å; F514-F526 PolarHBondContact O-N 3.29Å; I516-F526 HydrophobicContact CD1-CD2 3.86Å; I516-F526 HydrophobicContact CD1-CE2 3.84Å; I516-F526 HydrophobicContact CG1-CD2 4.48Å; V524-F526 HydrophobicContact CB-CE2 4.26Å; V524-F526 HydrophobicContact CG1-CD2 4.12Å; V524-F526 HydrophobicContact CG1-CE2 3.56Å; V524-F526 HydrophobicContact CG1-CZ 3.91Å |
| 527 | S | 93.9 | Very high | 87.5 | Confident | 22 Ų | 22 | 55.3 Ų | 55.3 | 15% | 0.154 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 129 | 177.1 | 170.5 | 0 | 0 | 0 | 0 | 110.1 | T451 K511 | T451-S527 PolarHBondContact N-O 3.3Å; T451-S527 PolarHBondContact O-N 2.95Å; K511-S527 PolarHBondContact O-OG 3.16Å |
| 528 | A | 93.6 | Very high | 87.8 | Confident | 6 Ų | 6 | 52.3 Ų | 52.3 | 5% | 0.05 | 28% | 0.275 | C | S | . | . | trans | -90.4 | 159.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L450 H512 S530 E533 K534 | L450-A528 HydrophobicContact CD2-CB 3.64Å; H512-A528 HydrophobicContact CB-CB 4.31Å; H512-A528 PolarHBondContact O-N 3.34Å; A528-S530 VanDerWaalsContact C-N 3.3Å; A528-S530 PolarHBondContact O-N 3.45Å; A528-E533 HydrophobicContact CB-CB 3.93Å; A528-K534 HydrophobicContact CB-CB 4.04Å | ||
| 529 | K | 91.7 | Very high | 88.1 | Confident | 120 Ų | 120 | 51.6 Ų | 51.6 | 52% | 0.522 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -70.9 | -30 | -178.1 | -61.3 | -179.9 | 178.1 | -177.7 | 0 | 112 | E458 E533 | E458-K529 IonicContact OE1-NZ 2.71Å; E458-K529 WeakPolarHBondContact OE2-CE 3.43Å; E458-K529 IonicContact OE2-NZ 2.96Å; E458-K529 PolarHBondContact OE2-NZ 3Å; K529-E533 WeakPolarHBondContact CB-OE2 3.5Å; K529-E533 PolarHBondContact N-OE2 3.26Å; K529-E533 VanDerWaalsContact N-OE2 3.17Å |
| 530 | S | 91.1 | Very high | 89 | Confident | 35 Ų | 35 | 46.4 Ų | 46.4 | 25% | 0.245 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -141.9 | 162.7 | -179.2 | 71.6 | 0 | 0 | 0 | 0 | 111.6 | A528 E532 E533 K534 | A528-S530 VanDerWaalsContact C-N 3.3Å; A528-S530 PolarHBondContact O-N 3.45Å; S530-E532 PolarHBondContact O-N 3.14Å; S530-E532 PolarHBondContact OG-N 3.33Å; S530-E533 PolarHBondContact O-N 2.83Å; S530-E533 PolarHBondContact OG-N 3Å; S530-E533 VanDerWaalsContact OG-N 3.11Å; S530-K534 PolarHBondContact O-N 3.04Å |
| 531 | A | 88.4 | Confident | 89.7 | Confident | 46 Ų | 46 | 38.8 Ų | 38.8 | 38% | 0.38 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.4 | -32.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K534 N535 | A531-K534 PolarHBondContact O-N 3.42Å; A531-N535 WeakPolarHBondContact O-CB 3.49Å; A531-N535 PolarHBondContact O-N 3Å; A531-N535 PolarHBondContact O-ND2 2.89Å; A531-N535 PolarHBondContact O-OD1 3.12Å |
| 532 | E | 85.7 | Confident | 90.3 | Very high | 59 Ų | 59 | 32.3 Ų | 32.3 | 28% | 0.276 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.3 | -48.1 | 176.3 | -175.8 | -178.7 | -139.1 | 0 | 0 | 111.4 | R398 S530 N535 N536 | R398-E532 WeakPolarHBondContact CD-OE1 3.4Å; R398-E532 IonicContact CZ-OE1 2.98Å; R398-E532 IonicContact CZ-OE2 3.74Å; R398-E532 VanDerWaalsContact CZ-OE2 3.25Å; R398-E532 IonicContact NE-OE1 3.3Å; R398-E532 PolarHBondContact NE-OE1 3.42Å; R398-E532 IonicContact NE-OE2 2.9Å; R398-E532 PolarHBondContact NE-OE2 2.95Å; R398-E532 IonicContact NH2-OE1 3.63Å; R398-E532 IonicContact NH2-OE2 3.75Å; R398-E532 PolarHBondContact NH2-OE2 2.68Å; S530-E532 PolarHBondContact O-N 3.14Å; S530-E532 PolarHBondContact OG-N 3.33Å; E532-N535 WeakPolarHBondContact O-CB 3.34Å; E532-N535 PolarHBondContact O-N 3.2Å; E532-N536 PolarHBondContact O-N 2.6Å |
| 533 | E | 88.9 | Confident | 90.4 | Very high | 65 Ų | 65 | 26.2 Ų | 26.2 | 30% | 0.304 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 174.2 | -74.7 | -178.7 | -166.3 | 0 | 0 | 111.3 | A528 K529 S530 N535 N536 W537 | A528-E533 HydrophobicContact CB-CB 3.93Å; K529-E533 WeakPolarHBondContact CB-OE2 3.5Å; K529-E533 PolarHBondContact N-OE2 3.26Å; K529-E533 VanDerWaalsContact N-OE2 3.17Å; S530-E533 PolarHBondContact O-N 2.83Å; S530-E533 PolarHBondContact OG-N 3Å; S530-E533 VanDerWaalsContact OG-N 3.11Å; E533-N535 VanDerWaalsContact C-N 3.28Å; E533-N535 PolarHBondContact O-N 3.05Å; E533-N536 PolarHBondContact O-N 3.49Å; E533-N536 VanDerWaalsContact O-N 3.13Å; E533-W537 PolarHBondContact O-N 2.97Å |
| 534 | K | 92.2 | Very high | 90.1 | Very high | 20 Ų | 20 | 25.7 Ų | 25.7 | 9% | 0.087 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -54.5 | -47.3 | 173.3 | 172.5 | -177.1 | -179 | 170.4 | 0 | 110.7 | D503 K504 H512 A513 A528 S530 A531 N536 W537 M538 | D503-K534 WeakPolarHBondContact OD1-CE 3.46Å; D503-K534 IonicContact OD1-NZ 3.02Å; D503-K534 PolarHBondContact OD1-NZ 3.39Å; D503-K534 IonicContact OD2-NZ 3.81Å; K504-K534 PolarHBondContact O-NZ 3.26Å; H512-K534 HydrophobicContact CB-CB 3.96Å; H512-K534 HydrophobicContact CB-CD 4.08Å; A513-K534 WeakPolarHBondContact O-CE 3.08Å; A513-K534 PolarHBondContact O-NZ 3.34Å; A528-K534 HydrophobicContact CB-CB 4.04Å; S530-K534 PolarHBondContact O-N 3.04Å; A531-K534 PolarHBondContact O-N 3.42Å; K534-N536 VanDerWaalsContact C-N 3.28Å; K534-N536 PolarHBondContact O-N 2.84Å; K534-W537 PolarHBondContact O-N 2.98Å; K534-M538 HydrophobicContact CG-CG 4Å; K534-M538 VanDerWaalsContact O-CB 3.3Å; K534-M538 WeakPolarHBondContact O-CB 3.37Å; K534-M538 VanDerWaalsContact O-CG 3.27Å; K534-M538 WeakPolarHBondContact O-CG 3.45Å; K534-M538 PolarHBondContact O-N 2.98Å |
| 535 | N | 89.8 | Confident | 89.7 | Confident | 20 Ų | 20 | 26.3 Ų | 26.3 | 11% | 0.107 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.9 | -36.6 | -179 | -70.9 | -23.9 | 0 | 0 | 0 | 111.6 | H308 Y337 R341 A531 E532 E533 A539 | H308-N535 PolarHBondContact NE2-ND2 3.31Å; Y337-N535 WeakPolarHBondContact CE1-OD1 3.25Å; R341-N535 VanDerWaalsContact NH2-CB 3.35Å; R341-N535 PolarHBondContact NH2-O 3.5Å; A531-N535 WeakPolarHBondContact O-CB 3.49Å; A531-N535 PolarHBondContact O-N 3Å; A531-N535 PolarHBondContact O-ND2 2.89Å; A531-N535 PolarHBondContact O-OD1 3.12Å; E532-N535 WeakPolarHBondContact O-CB 3.34Å; E532-N535 PolarHBondContact O-N 3.2Å; E533-N535 VanDerWaalsContact C-N 3.28Å; E533-N535 PolarHBondContact O-N 3.05Å; N535-A539 WeakPolarHBondContact O-CB 3.24Å; N535-A539 PolarHBondContact O-N 3.26Å |
| 536 | N | 89.2 | Confident | 89.2 | Confident | 34 Ų | 34 | 26.2 Ų | 26.2 | 18% | 0.182 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.3 | -44.5 | 177.6 | -70.6 | -18.3 | 0 | 0 | 0 | 111.6 | R341 E402 M446 E532 E533 K534 A540 | R341-N536 PolarHBondContact NH2-OD1 3.34Å; E402-N536 VanDerWaalsContact CD-ND2 3.33Å; E402-N536 PolarHBondContact OE2-ND2 3.2Å; E402-N536 PolarHBondContact OE2-OD1 2.82Å; M446-N536 HydrophobicContact CE-CB 4.42Å; E532-N536 PolarHBondContact O-N 2.6Å; E533-N536 PolarHBondContact O-N 3.49Å; E533-N536 VanDerWaalsContact O-N 3.13Å; K534-N536 VanDerWaalsContact C-N 3.28Å; K534-N536 PolarHBondContact O-N 2.84Å; N536-A540 WeakPolarHBondContact O-CB 3.24Å; N536-A540 PolarHBondContact O-N 2.97Å |
| 537 | W | 92.2 | Very high | 88.5 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62 | -50.2 | 173 | -79.6 | 104.9 | 0 | 0 | 0 | 112.2 | M446 L450 I461 L463 F514 E533 K534 A539 A540 L541 | M446-W537 HydrophobicContact CE-CD2 3.63Å; M446-W537 HydrophobicContact CE-CE3 4.05Å; M446-W537 HydrophobicContact CE-CG 3.95Å; M446-W537 HydrophobicContact CE-CH2 4.39Å; M446-W537 HydrophobicContact CE-CZ2 4.05Å; M446-W537 HydrophobicContact CE-CZ3 4.42Å; M446-W537 HydrophobicContact CG-CE3 4.46Å; M446-W537 HydrophobicContact CG-CH2 4.29Å; M446-W537 HydrophobicContact CG-CZ3 4.15Å; M446-W537 HydrophobicContact SD-CD2 3.95Å; M446-W537 HydrophobicContact SD-CE3 3.76Å; M446-W537 HydrophobicContact SD-CG 4.48Å; M446-W537 HydrophobicContact SD-CH2 4.48Å; M446-W537 HydrophobicContact SD-CZ3 4.05Å; L450-W537 HydrophobicContact CD1-CD2 3.56Å; L450-W537 HydrophobicContact CD1-CE3 3.98Å; L450-W537 HydrophobicContact CD1-CG 3.89Å; L450-W537 HydrophobicContact CD1-CH2 4.42Å; L450-W537 HydrophobicContact CD1-CZ2 4Å; L450-W537 HydrophobicContact CD1-CZ3 4.38Å; L450-W537 HydrophobicContact CD2-CG 4.25Å; L450-W537 HydrophobicContact CG-CD2 4.24Å; L450-W537 HydrophobicContact CG-CG 4.43Å; L450-W537 HydrophobicContact CG-CZ2 4.18Å; I461-W537 HydrophobicContact CB-CH2 3.56Å; I461-W537 HydrophobicContact CB-CZ2 4.02Å; I461-W537 HydrophobicContact CB-CZ3 4.41Å; I461-W537 HydrophobicContact CG2-CH2 3.41Å; I461-W537 VanDerWaalsContact CG2-CH2 3.41Å; I461-W537 HydrophobicContact CG2-CZ2 4.33Å; I461-W537 HydrophobicContact CG2-CZ3 3.82Å; L463-W537 HydrophobicContact CB-CH2 4.42Å; L463-W537 HydrophobicContact CB-CZ3 3.96Å; L463-W537 HydrophobicContact CD2-CE3 4.45Å; L463-W537 HydrophobicContact CD2-CZ3 4.18Å; F514-W537 HydrophobicContact CE1-CB 3.87Å; F514-W537 HydrophobicContact CE1-CG 4.35Å; F514-W537 HydrophobicContact CZ-CB 4.29Å; E533-W537 PolarHBondContact O-N 2.97Å; K534-W537 PolarHBondContact O-N 2.98Å; W537-A539 PolarHBondContact O-N 2.94Å; W537-A540 PolarHBondContact O-N 3.46Å; W537-A540 VanDerWaalsContact O-N 3.08Å; W537-L541 HydrophobicContact CE3-CD1 4.43Å; W537-L541 WeakPolarHBondContact O-CB 3.4Å; W537-L541 WeakPolarHBondContact O-CG 3.18Å; W537-L541 PolarHBondContact O-N 3.2Å |
| 538 | M | 91.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.5 | -44.4 | 178.4 | -72.4 | -62.9 | -73.1 | 0 | 0 | 111.4 | Y337 I501 D503 F514 K534 A540 L541 I542 | Y337-M538 HydrophobicContact CD1-CB 3.44Å; Y337-M538 VanDerWaalsContact CD1-CB 3.44Å; Y337-M538 HydrophobicContact CD1-CG 4.18Å; Y337-M538 HydrophobicContact CD2-CB 4.03Å; Y337-M538 HydrophobicContact CD2-CE 3.77Å; Y337-M538 HydrophobicContact CE1-CB 3.83Å; Y337-M538 HydrophobicContact CE1-CG 4.05Å; Y337-M538 HydrophobicContact CE2-CB 4.37Å; Y337-M538 HydrophobicContact CE2-CE 3.51Å; Y337-M538 HydrophobicContact CE2-CG 4.44Å; Y337-M538 HydrophobicContact CG-CB 3.55Å; Y337-M538 HydrophobicContact CG-CE 4.49Å; Y337-M538 HydrophobicContact CG-CG 4.44Å; I501-M538 HydrophobicContact CG2-CE 4.07Å; I501-M538 HydrophobicContact CG2-SD 3.76Å; D503-M538 HydrophobicContact CB-CE 4.03Å; F514-M538 HydrophobicContact CB-SD 3.52Å; F514-M538 VanDerWaalsContact CB-SD 3.52Å; F514-M538 HydrophobicContact CD1-SD 4.17Å; F514-M538 HydrophobicContact CG-SD 3.87Å; K534-M538 HydrophobicContact CG-CG 4Å; K534-M538 VanDerWaalsContact O-CB 3.3Å; K534-M538 WeakPolarHBondContact O-CB 3.37Å; K534-M538 VanDerWaalsContact O-CG 3.27Å; K534-M538 WeakPolarHBondContact O-CG 3.45Å; K534-M538 PolarHBondContact O-N 2.98Å; M538-A540 PolarHBondContact O-N 3.48Å; M538-L541 PolarHBondContact O-N 2.98Å; M538-I542 HydrophobicContact CE-CD1 4.08Å; M538-I542 HydrophobicContact CE-CG1 3.99Å; M538-I542 WeakPolarHBondContact O-CB 3.37Å; M538-I542 WeakPolarHBondContact O-CG1 3.37Å; M538-I542 PolarHBondContact O-N 3.38Å |
| 539 | A | 88.9 | Confident | 87.2 | Confident | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.033 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.6 | -40.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y337 R341 R406 N535 W537 S543 | Y337-A539 VanDerWaalsContact O-CB 3.23Å; Y337-A539 WeakPolarHBondContact O-CB 3.49Å; R341-A539 HydrophobicContact CG-CB 4.34Å; R406-A539 PolarHBondContact NH1-O 2.87Å; N535-A539 WeakPolarHBondContact O-CB 3.24Å; N535-A539 PolarHBondContact O-N 3.26Å; W537-A539 PolarHBondContact O-N 2.94Å; A539-S543 WeakPolarHBondContact O-CB 3.48Å; A539-S543 PolarHBondContact O-N 2.7Å; A539-S543 VanDerWaalsContact O-N 3.13Å |
| 540 | A | 88 | Confident | 86.9 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -72.2 | -48.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R406 I445 M446 L463 N536 W537 M538 L544 | R406-A540 VanDerWaalsContact CZ-CA 3.5Å; R406-A540 VanDerWaalsContact NH2-CB 3.32Å; R406-A540 PolarHBondContact NH2-O 2.95Å; R406-A540 VanDerWaalsContact NH2-O 3.15Å; I445-A540 HydrophobicContact CG2-CB 4.04Å; M446-A540 HydrophobicContact CG-CB 4.38Å; M446-A540 HydrophobicContact SD-CB 3.37Å; M446-A540 WeakPolarHBondContact SD-CB 3.02Å; L463-A540 HydrophobicContact CD2-CB 3.77Å; N536-A540 WeakPolarHBondContact O-CB 3.24Å; N536-A540 PolarHBondContact O-N 2.97Å; W537-A540 PolarHBondContact O-N 3.46Å; W537-A540 VanDerWaalsContact O-N 3.08Å; M538-A540 PolarHBondContact O-N 3.48Å; A540-L544 PolarHBondContact O-N 3.18Å |
| 541 | L | 91 | Very high | 86.5 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.9 | -44.1 | -177.3 | -63 | 168.8 | 0 | 0 | 0 | 112 | L463 M468 M496 I501 F514 W537 M538 L544 Q545 | L463-L541 HydrophobicContact CD1-CD2 3.68Å; L463-L541 HydrophobicContact CD2-CD2 3.84Å; L463-L541 HydrophobicContact CD2-CG 4.38Å; L463-L541 HydrophobicContact CG-CD2 4.45Å; M468-L541 HydrophobicContact SD-CD2 4.22Å; M496-L541 HydrophobicContact CE-CD2 3.43Å; M496-L541 VanDerWaalsContact CE-CD2 3.43Å; M496-L541 HydrophobicContact SD-CD2 4.07Å; I501-L541 HydrophobicContact CG1-CB 3.84Å; I501-L541 HydrophobicContact CG1-CD1 4.43Å; F514-L541 HydrophobicContact CD2-CD1 4.14Å; F514-L541 HydrophobicContact CE1-CD1 4.44Å; F514-L541 HydrophobicContact CE2-CD1 3.5Å; F514-L541 HydrophobicContact CZ-CD1 3.67Å; W537-L541 HydrophobicContact CE3-CD1 4.43Å; W537-L541 WeakPolarHBondContact O-CB 3.4Å; W537-L541 WeakPolarHBondContact O-CG 3.18Å; W537-L541 PolarHBondContact O-N 3.2Å; M538-L541 PolarHBondContact O-N 2.98Å; L541-L544 PolarHBondContact O-N 3.47Å; L541-Q545 PolarHBondContact O-N 2.87Å |
| 542 | I | 89.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.4 | -40.8 | 177.2 | -61.8 | -61 | 0 | 0 | 0 | 110.2 | E333 A334 Y337 V338 I501 M538 L544 Q545 Y546 | E333-I542 HydrophobicContact CB-CD1 4.07Å; E333-I542 HydrophobicContact CB-CG1 4.41Å; E333-I542 HydrophobicContact CB-CG2 4.08Å; A334-I542 HydrophobicContact CB-CG2 4.37Å; Y337-I542 HydrophobicContact CD2-CG1 4.49Å; V338-I542 HydrophobicContact CG2-CB 4.05Å; V338-I542 HydrophobicContact CG2-CG2 3.71Å; I501-I542 HydrophobicContact CB-CD1 3.95Å; I501-I542 HydrophobicContact CG2-CD1 4.04Å; M538-I542 HydrophobicContact CE-CD1 4.08Å; M538-I542 HydrophobicContact CE-CG1 3.99Å; M538-I542 WeakPolarHBondContact O-CB 3.37Å; M538-I542 WeakPolarHBondContact O-CG1 3.37Å; M538-I542 PolarHBondContact O-N 3.38Å; I542-L544 VanDerWaalsContact C-N 3.32Å; I542-L544 PolarHBondContact O-N 2.86Å; I542-Q545 PolarHBondContact O-N 3.01Å; I542-Q545 VanDerWaalsContact O-N 3.17Å; I542-Y546 HydrophobicContact CB-CD2 4.4Å; I542-Y546 HydrophobicContact CD1-CE2 4.07Å; I542-Y546 HydrophobicContact CG2-CD2 3.59Å; I542-Y546 HydrophobicContact CG2-CE2 4.09Å; I542-Y546 WeakPolarHBondContact O-CD2 3.25Å; I542-Y546 PolarHBondContact O-N 2.99Å |
| 543 | S | 86.3 | Confident | 86.2 | Confident | 21 Ų | 21 | 25.7 Ų | 25.7 | 15% | 0.147 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60 | -42 | 173.9 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | R406 A539 Q545 R547 | R406-S543 PolarHBondContact NH1-OG 2.99Å; R406-S543 VanDerWaalsContact NH1-OG 3.09Å; A539-S543 WeakPolarHBondContact O-CB 3.48Å; A539-S543 PolarHBondContact O-N 2.7Å; A539-S543 VanDerWaalsContact O-N 3.13Å; S543-Q545 PolarHBondContact O-N 3.25Å; S543-R547 WeakPolarHBondContact O-CA 3.47Å; S543-R547 WeakPolarHBondContact O-CB 3.41Å; S543-R547 PolarHBondContact O-N 2.9Å |
| 544 | L | 82.2 | Confident | 86.1 | Confident | 45 Ų | 45 | 22.6 Ų | 22.6 | 24% | 0.236 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | 173.7 | -82.5 | 177.9 | 0 | 0 | 0 | 113.3 | I445 L463 D465 M496 A540 L541 I542 | I445-L544 HydrophobicContact CD1-CD1 3.42Å; I445-L544 VanDerWaalsContact CD1-CD1 3.42Å; I445-L544 HydrophobicContact CD1-CD2 3.57Å; I445-L544 HydrophobicContact CD1-CG 3.63Å; L463-L544 HydrophobicContact CD1-CD1 4.34Å; L463-L544 HydrophobicContact CD2-CD1 4.44Å; L463-L544 HydrophobicContact CG-CD1 4.43Å; D465-L544 HydrophobicContact CB-CD2 4.21Å; M496-L544 HydrophobicContact CE-CD1 4.26Å; M496-L544 HydrophobicContact CG-CD1 4.43Å; A540-L544 PolarHBondContact O-N 3.18Å; L541-L544 PolarHBondContact O-N 3.47Å; I542-L544 VanDerWaalsContact C-N 3.32Å; I542-L544 PolarHBondContact O-N 2.86Å |
| 545 | Q | 82.3 | Confident | 85.6 | Confident | 20 Ų | 20 | 22.6 Ų | 22.6 | 9% | 0.093 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -71.7 | -39.5 | -177.7 | -179.5 | 168 | -16.8 | 0 | 0 | 112.8 | K170 I501 L541 I542 S543 | K170-Q545 HydrophobicContact CD-CG 4.34Å; I501-Q545 VanDerWaalsContact N-OE1 3.13Å; L541-Q545 PolarHBondContact O-N 2.87Å; I542-Q545 PolarHBondContact O-N 3.01Å; I542-Q545 VanDerWaalsContact O-N 3.17Å; S543-Q545 PolarHBondContact O-N 3.25Å |
| 546 | Y | 82.5 | Confident | 85.3 | Confident | 27 Ų | 27 | 24.6 Ų | 24.6 | 11% | 0.106 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -112.3 | -3.6 | -168.5 | -63.2 | -74.7 | 0 | 0 | 0 | 114.9 | G330 I542 S548 T549 L550 | G330-Y546 VanDerWaalsContact CA-CE1 3.46Å; G330-Y546 WeakPolarHBondContact CA-OH 3.43Å; I542-Y546 HydrophobicContact CB-CD2 4.4Å; I542-Y546 HydrophobicContact CD1-CE2 4.07Å; I542-Y546 HydrophobicContact CG2-CD2 3.59Å; I542-Y546 HydrophobicContact CG2-CE2 4.09Å; I542-Y546 WeakPolarHBondContact O-CD2 3.25Å; I542-Y546 PolarHBondContact O-N 2.99Å; Y546-S548 VanDerWaalsContact C-N 3.31Å; Y546-S548 PolarHBondContact O-N 2.93Å; Y546-T549 WeakPolarHBondContact O-CB 3.15Å; Y546-T549 PolarHBondContact O-N 2.69Å; Y546-T549 VanDerWaalsContact O-N 3.13Å; Y546-L550 WeakPolarHBondContact O-CB 3.47Å; Y546-L550 WeakPolarHBondContact O-CG 3.44Å; Y546-L550 PolarHBondContact O-N 2.96Å |
| 547 | R | 80 | Confident | 85.2 | Confident | 119 Ų | 119 | 25.2 Ų | 25.2 | 45% | 0.449 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -54.3 | -46.3 | 177.6 | 178.2 | 175.8 | -169.7 | 173.9 | 4.8 | 112 | S543 T549 L550 E551 | S543-R547 WeakPolarHBondContact O-CA 3.47Å; S543-R547 WeakPolarHBondContact O-CB 3.41Å; S543-R547 PolarHBondContact O-N 2.9Å; R547-T549 PolarHBondContact O-N 2.58Å; R547-L550 PolarHBondContact O-N 3.19Å; R547-E551 HydrophobicContact CG-CG 4.29Å; R547-E551 VanDerWaalsContact O-CG 3.28Å; R547-E551 WeakPolarHBondContact O-CG 3.45Å; R547-E551 PolarHBondContact O-N 3.29Å |
| 548 | S | 77 | Confident | 84.7 | Confident | 26 Ų | 26 | 28.4 Ų | 28.4 | 18% | 0.182 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.8 | -45.8 | 177.3 | 177.6 | 0 | 0 | 0 | 0 | 112.2 | D169 Y546 L550 E551 R552 | D169-S548 WeakPolarHBondContact OD1-CB 3.42Å; D169-S548 PolarHBondContact OD1-OG 2.76Å; Y546-S548 VanDerWaalsContact C-N 3.31Å; Y546-S548 PolarHBondContact O-N 2.93Å; S548-L550 VanDerWaalsContact C-N 3.33Å; S548-L550 PolarHBondContact O-N 2.84Å; S548-E551 PolarHBondContact O-N 3.31Å; S548-R552 WeakPolarHBondContact O-CB 3.37Å; S548-R552 VanDerWaalsContact O-CG 3.23Å; S548-R552 WeakPolarHBondContact O-CG 3.37Å; S548-R552 PolarHBondContact O-N 3.4Å; S548-R552 PolarHBondContact OG-NE 3.01Å; S548-R552 VanDerWaalsContact OG-NE 3.13Å |
| 549 | T | 82.1 | Confident | 84 | Confident | 27 Ų | 27 | 33.2 Ų | 33.2 | 17% | 0.166 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.6 | -44 | 177.2 | -48.5 | 0 | 0 | 0 | 0 | 111.6 | P81 Y546 R547 R552 M553 | P81-T549 HydrophobicContact CG-CG2 4.4Å; Y546-T549 WeakPolarHBondContact O-CB 3.15Å; Y546-T549 PolarHBondContact O-N 2.69Å; Y546-T549 VanDerWaalsContact O-N 3.13Å; R547-T549 PolarHBondContact O-N 2.58Å; T549-R552 WeakPolarHBondContact O-CB 3.24Å; T549-R552 PolarHBondContact O-N 3.01Å; T549-M553 HydrophobicContact CG2-SD 4.4Å; T549-M553 WeakPolarHBondContact O-CB 3.37Å; T549-M553 VanDerWaalsContact O-CG 3.26Å; T549-M553 WeakPolarHBondContact O-CG 3.4Å; T549-M553 PolarHBondContact O-N 3.47Å |
| 550 | L | 86.3 | Confident | 83.6 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 5% | 0.047 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.6 | -43.8 | 178.7 | -72.6 | 172.1 | 0 | 0 | 0 | 112.6 | L221 V225 F226 A334 Y546 R547 S548 M553 L554 | L221-L550 HydrophobicContact CD1-CB 4.1Å; L221-L550 WeakPolarHBondContact CD1-O 3.2Å; V225-L550 HydrophobicContact CG1-CD2 3.83Å; F226-L550 HydrophobicContact CE1-CD2 4.27Å; F226-L550 HydrophobicContact CE2-CD1 4.15Å; F226-L550 HydrophobicContact CE2-CD2 4.02Å; F226-L550 HydrophobicContact CZ-CD1 3.65Å; F226-L550 HydrophobicContact CZ-CD2 3.65Å; F226-L550 HydrophobicContact CZ-CG 4.31Å; A334-L550 HydrophobicContact CB-CD1 4.31Å; Y546-L550 WeakPolarHBondContact O-CB 3.47Å; Y546-L550 WeakPolarHBondContact O-CG 3.44Å; Y546-L550 PolarHBondContact O-N 2.96Å; R547-L550 PolarHBondContact O-N 3.19Å; S548-L550 VanDerWaalsContact C-N 3.33Å; S548-L550 PolarHBondContact O-N 2.84Å; L550-M553 PolarHBondContact O-N 3.28Å; L550-L554 PolarHBondContact O-N 2.89Å |
| 551 | E | 82.1 | Confident | 83.2 | Confident | 34 Ų | 34 | 39.8 Ų | 39.8 | 16% | 0.159 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 176.2 | -68.9 | -68.9 | 156.3 | 0 | 0 | 111.5 | R217 R547 S548 L554 D555 | R217-E551 IonicContact CZ-OE2 2.77Å; R217-E551 IonicContact NE-OE2 3.29Å; R217-E551 PolarHBondContact NE-OE2 3.34Å; R217-E551 IonicContact NH2-OE2 3.93Å; R217-E551 PolarHBondContact NH2-OE2 3.15Å; R547-E551 HydrophobicContact CG-CG 4.29Å; R547-E551 VanDerWaalsContact O-CG 3.28Å; R547-E551 WeakPolarHBondContact O-CG 3.45Å; R547-E551 PolarHBondContact O-N 3.29Å; S548-E551 PolarHBondContact O-N 3.31Å; E551-L554 PolarHBondContact O-N 2.77Å; E551-D555 WeakPolarHBondContact O-CB 3.42Å; E551-D555 VanDerWaalsContact O-CG 3.27Å; E551-D555 PolarHBondContact O-N 3.29Å |
| 552 | R | 80.7 | Confident | 82.3 | Confident | 22 Ų | 22 | 43.6 Ų | 43.6 | 8% | 0.083 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.2 | -45.5 | 173.5 | -76.7 | 171.5 | -171.7 | -107.1 | 5.5 | 111.3 | W85 D140 D169 S548 T549 D555 V556 | W85-R552 HydrophobicContact CH2-CB 3.75Å; W85-R552 VanDerWaalsContact CH2-O 3.3Å; W85-R552 WeakPolarHBondContact CH2-O 3.26Å; W85-R552 HydrophobicContact CZ3-CB 3.65Å; W85-R552 HydrophobicContact CZ3-CG 4.5Å; W85-R552 WeakPolarHBondContact CZ3-O 3.37Å; D140-R552 VanDerWaalsContact CG-NH1 3.27Å; D140-R552 IonicContact OD1-CZ 2.88Å; D140-R552 IonicContact OD1-NH1 3.78Å; D140-R552 PolarHBondContact OD1-NH1 2.84Å; D140-R552 VanDerWaalsContact OD1-NH1 3.14Å; D140-R552 IonicContact OD2-CZ 3.59Å; D140-R552 IonicContact OD2-NH1 2.65Å; D140-R552 PolarHBondContact OD2-NH1 3.21Å; D140-R552 IonicContact OD2-NH2 2.7Å; D140-R552 PolarHBondContact OD2-NH2 3.44Å; D169-R552 VanDerWaalsContact CG-NH2 3.26Å; D169-R552 IonicContact OD1-CZ 2.84Å; D169-R552 IonicContact OD1-NE 3.64Å; D169-R552 IonicContact OD1-NH2 3.94Å; D169-R552 PolarHBondContact OD1-NH2 2.94Å; D169-R552 IonicContact OD2-NH2 2.69Å; D169-R552 PolarHBondContact OD2-NH2 3.33Å; S548-R552 WeakPolarHBondContact O-CB 3.37Å; S548-R552 VanDerWaalsContact O-CG 3.23Å; S548-R552 WeakPolarHBondContact O-CG 3.37Å; S548-R552 PolarHBondContact O-N 3.4Å; S548-R552 PolarHBondContact OG-NE 3.01Å; S548-R552 VanDerWaalsContact OG-NE 3.13Å; T549-R552 WeakPolarHBondContact O-CB 3.24Å; T549-R552 PolarHBondContact O-N 3.01Å; R552-D555 PolarHBondContact O-N 3.42Å; R552-V556 PolarHBondContact O-N 3.4Å |
| 553 | M | 86.7 | Confident | 81.3 | Confident | 40 Ų | 40 | 50 Ų | 50 | 20% | 0.197 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -46.9 | 178.3 | -75.9 | 175.3 | 74 | 0 | 0 | 110.9 | W85 V225 I327 F331 T549 L550 D555 V556 T557 | W85-M553 HydrophobicContact CH2-CG 4.36Å; W85-M553 HydrophobicContact CZ2-CG 4.37Å; V225-M553 HydrophobicContact CG1-CB 4.21Å; V225-M553 HydrophobicContact CG1-CE 4.08Å; V225-M553 HydrophobicContact CG1-SD 4.35Å; V225-M553 HydrophobicContact CG2-CB 4.23Å; I327-M553 HydrophobicContact CG2-CE 4.3Å; F331-M553 HydrophobicContact CD2-CE 4.35Å; F331-M553 HydrophobicContact CE2-CE 4.4Å; T549-M553 HydrophobicContact CG2-SD 4.4Å; T549-M553 WeakPolarHBondContact O-CB 3.37Å; T549-M553 VanDerWaalsContact O-CG 3.26Å; T549-M553 WeakPolarHBondContact O-CG 3.4Å; T549-M553 PolarHBondContact O-N 3.47Å; L550-M553 PolarHBondContact O-N 3.28Å; M553-D555 VanDerWaalsContact C-N 3.32Å; M553-D555 PolarHBondContact O-N 2.97Å; M553-V556 PolarHBondContact O-N 3.35Å; M553-T557 PolarHBondContact O-N 2.84Å; M553-T557 PolarHBondContact O-OG1 2.93Å; M553-T557 VanDerWaalsContact O-OG1 3.07Å |
| 554 | L | 87.3 | Confident | 80.6 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.1 | -49.2 | 176 | 173.4 | 60.5 | 0 | 0 | 0 | 111.1 | R217 N220 L221 K224 V225 L550 E551 V556 T557 M558 | R217-L554 HydrophobicContact CG-CD2 4.01Å; N220-L554 HydrophobicContact CB-CD1 3.97Å; L221-L554 HydrophobicContact CB-CD2 4.03Å; L221-L554 HydrophobicContact CD1-CB 3.96Å; L221-L554 HydrophobicContact CD1-CD2 4.27Å; K224-L554 HydrophobicContact CB-CD1 4.27Å; K224-L554 HydrophobicContact CD-CD1 4.49Å; V225-L554 HydrophobicContact CG2-CB 3.75Å; V225-L554 HydrophobicContact CG2-CD1 4.34Å; L550-L554 PolarHBondContact O-N 2.89Å; E551-L554 PolarHBondContact O-N 2.77Å; L554-V556 VanDerWaalsContact C-N 3.3Å; L554-V556 PolarHBondContact O-N 3Å; L554-T557 PolarHBondContact O-N 3.12Å; L554-T557 VanDerWaalsContact O-N 3.16Å; L554-M558 HydrophobicContact CD1-CG 3.83Å; L554-M558 HydrophobicContact CD1-SD 4.26Å; L554-M558 HydrophobicContact CG-CG 4.18Å; L554-M558 VanDerWaalsContact O-CG 3.22Å; L554-M558 WeakPolarHBondContact O-CG 3.3Å; L554-M558 PolarHBondContact O-N 2.89Å |
| 555 | D | 81.8 | Confident | 79.7 | Confident | 20 Ų | 20 | 58.2 Ų | 58.2 | 11% | 0.107 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.5 | -35.2 | -177 | -82.3 | -13.3 | 0 | 0 | 0 | 113.1 | K143 R217 E551 R552 M553 L559 | K143-D555 WeakPolarHBondContact CE-OD2 3.45Å; K143-D555 VanDerWaalsContact NZ-CB 3.32Å; K143-D555 IonicContact NZ-OD2 3.37Å; R217-D555 IonicContact CZ-OD1 2.63Å; R217-D555 IonicContact NH1-OD1 2.63Å; R217-D555 PolarHBondContact NH1-OD1 3.38Å; R217-D555 IonicContact NH2-OD1 2.84Å; R217-D555 PolarHBondContact NH2-OD1 3.4Å; R217-D555 IonicContact NH2-OD2 3.64Å; R217-D555 PolarHBondContact NH2-OD2 2.88Å; E551-D555 WeakPolarHBondContact O-CB 3.42Å; E551-D555 VanDerWaalsContact O-CG 3.27Å; E551-D555 PolarHBondContact O-N 3.29Å; R552-D555 PolarHBondContact O-N 3.42Å; M553-D555 VanDerWaalsContact C-N 3.32Å; M553-D555 PolarHBondContact O-N 2.97Å; D555-L559 WeakPolarHBondContact O-CB 3.41Å; D555-L559 PolarHBondContact O-N 3.32Å; D555-L559 VanDerWaalsContact O-N 3.1Å |
| 556 | V | 84 | Confident | 78.8 | Confident | 61 Ų | 61 | 63 Ų | 63 | 37% | 0.37 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.7 | -44.8 | 172.6 | 168.1 | 0 | 0 | 0 | 0 | 111.3 | W85 R552 M553 L554 M558 L559 Q560 | W85-V556 HydrophobicContact CD2-CG2 3.88Å; W85-V556 HydrophobicContact CE3-CG2 3.36Å; W85-V556 HydrophobicContact CH2-CB 4.18Å; W85-V556 HydrophobicContact CH2-CG2 3.55Å; W85-V556 HydrophobicContact CZ2-CB 4.45Å; W85-V556 HydrophobicContact CZ2-CG2 4.01Å; W85-V556 HydrophobicContact CZ3-CB 4.25Å; W85-V556 HydrophobicContact CZ3-CG2 3.17Å; R552-V556 PolarHBondContact O-N 3.4Å; M553-V556 PolarHBondContact O-N 3.35Å; L554-V556 VanDerWaalsContact C-N 3.3Å; L554-V556 PolarHBondContact O-N 3Å; V556-M558 VanDerWaalsContact C-N 3.34Å; V556-M558 PolarHBondContact O-N 2.87Å; V556-L559 PolarHBondContact O-N 2.97Å; V556-Q560 WeakPolarHBondContact O-CB 3.36Å; V556-Q560 PolarHBondContact O-N 2.63Å |
| 557 | T | 86.2 | Confident | 78.2 | Confident | 47 Ų | 47 | 64.2 Ų | 64.2 | 29% | 0.288 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 177.2 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | K224 M553 L554 L559 Q560 E561 | K224-T557 HydrophobicContact CB-CG2 4.06Å; K224-T557 HydrophobicContact CD-CG2 4.46Å; M553-T557 PolarHBondContact O-N 2.84Å; M553-T557 PolarHBondContact O-OG1 2.93Å; M553-T557 VanDerWaalsContact O-OG1 3.07Å; L554-T557 PolarHBondContact O-N 3.12Å; L554-T557 VanDerWaalsContact O-N 3.16Å; T557-L559 PolarHBondContact O-N 3.41Å; T557-Q560 PolarHBondContact O-N 3.32Å; T557-E561 WeakPolarHBondContact O-CG 3.13Å; T557-E561 PolarHBondContact O-N 2.88Å |
| 558 | M | 82.8 | Confident | 78.1 | Confident | 72 Ų | 72 | 67.3 Ų | 67.3 | 36% | 0.355 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 177.7 | -66.8 | -68.8 | -59.8 | 0 | 0 | 112.5 | K224 L554 V556 E562 | K224-M558 HydrophobicContact CD-SD 3.67Å; K224-M558 PolarHBondContact NZ-SD 3.49Å; L554-M558 HydrophobicContact CD1-CG 3.83Å; L554-M558 HydrophobicContact CD1-SD 4.26Å; L554-M558 HydrophobicContact CG-CG 4.18Å; L554-M558 VanDerWaalsContact O-CG 3.22Å; L554-M558 WeakPolarHBondContact O-CG 3.3Å; L554-M558 PolarHBondContact O-N 2.89Å; V556-M558 VanDerWaalsContact C-N 3.34Å; V556-M558 PolarHBondContact O-N 2.87Å; M558-E562 PolarHBondContact O-N 2.9Å |
| 559 | L | 77.3 | Confident | 78.5 | Confident | 100 Ų | 100 | 70.5 Ų | 70.5 | 52% | 0.524 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.2 | -35.5 | 179.1 | -173.1 | 69.7 | 0 | 0 | 0 | 112.1 | D555 V556 T557 E562 K563 | D555-L559 WeakPolarHBondContact O-CB 3.41Å; D555-L559 PolarHBondContact O-N 3.32Å; D555-L559 VanDerWaalsContact O-N 3.1Å; V556-L559 PolarHBondContact O-N 2.97Å; T557-L559 PolarHBondContact O-N 3.41Å; L559-E562 PolarHBondContact O-N 3.02Å; L559-K563 PolarHBondContact O-N 3.05Å; L559-K563 VanDerWaalsContact O-N 3.1Å |
| 560 | Q | 80.4 | Confident | 78.8 | Confident | 88 Ų | 88 | 70.2 Ų | 70.2 | 41% | 0.411 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 176.6 | -174.9 | 61.7 | 25.6 | 0 | 0 | 110.9 | V556 T557 E562 K563 E564 | V556-Q560 WeakPolarHBondContact O-CB 3.36Å; V556-Q560 PolarHBondContact O-N 2.63Å; T557-Q560 PolarHBondContact O-N 3.32Å; Q560-E562 VanDerWaalsContact C-N 3.35Å; Q560-E562 PolarHBondContact O-N 3Å; Q560-K563 PolarHBondContact O-N 3.22Å; Q560-K563 VanDerWaalsContact O-N 3.14Å; Q560-E564 PolarHBondContact NE2-OE1 3.35Å; Q560-E564 WeakPolarHBondContact O-CG 3.35Å; Q560-E564 PolarHBondContact O-N 3.17Å |
| 561 | E | 78.9 | Confident | 78.9 | Confident | 57 Ų | 57 | 72.8 Ų | 72.8 | 27% | 0.266 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 173 | -72.3 | 176.7 | -173.3 | 0 | 0 | 111.4 | K224 T557 K563 E564 E565 | K224-E561 WeakPolarHBondContact CD-OE1 3.42Å; K224-E561 VanDerWaalsContact CE-OE1 3.27Å; K224-E561 WeakPolarHBondContact CE-OE1 3.42Å; K224-E561 WeakPolarHBondContact CE-OE2 3.5Å; K224-E561 IonicContact NZ-OE1 3.51Å; K224-E561 PolarHBondContact NZ-OE1 2.74Å; K224-E561 IonicContact NZ-OE2 3.81Å; K224-E561 PolarHBondContact NZ-OE2 2.8Å; T557-E561 WeakPolarHBondContact O-CG 3.13Å; T557-E561 PolarHBondContact O-N 2.88Å; E561-K563 PolarHBondContact O-N 3.12Å; E561-E564 PolarHBondContact O-N 2.85Å; E561-E565 VanDerWaalsContact O-CB 3.26Å; E561-E565 WeakPolarHBondContact O-CB 3.16Å; E561-E565 VanDerWaalsContact O-CG 3.29Å; E561-E565 WeakPolarHBondContact O-CG 3.17Å; E561-E565 PolarHBondContact O-N 3.47Å |
| 562 | E | 71.2 | Confident | 79.4 | Confident | 79 Ų | 79 | 73.2 Ų | 73.2 | 37% | 0.369 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.1 | -33.1 | 177.5 | -162.9 | -159 | 136.1 | 0 | 0 | 112.8 | R100 M558 L559 Q560 | R100-E562 IonicContact CZ-OE1 2.68Å; R100-E562 VanDerWaalsContact CZ-OE1 3.3Å; R100-E562 IonicContact NH1-OE1 3.37Å; R100-E562 PolarHBondContact NH1-OE1 3.02Å; R100-E562 IonicContact NH2-OE1 3.77Å; R100-E562 PolarHBondContact NH2-OE1 3.01Å; M558-E562 PolarHBondContact O-N 2.9Å; L559-E562 PolarHBondContact O-N 3.02Å; Q560-E562 VanDerWaalsContact C-N 3.35Å; Q560-E562 PolarHBondContact O-N 3Å |
| 563 | K | 70.2 | Confident | 79.9 | Confident | 136 Ų | 136 | 79.4 Ų | 79.4 | 59% | 0.591 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -77.5 | -40.6 | 179.5 | -176.5 | -178.6 | 177.5 | -178.1 | 0 | 112.5 | L559 Q560 E561 E565 | L559-K563 PolarHBondContact O-N 3.05Å; L559-K563 VanDerWaalsContact O-N 3.1Å; Q560-K563 PolarHBondContact O-N 3.22Å; Q560-K563 VanDerWaalsContact O-N 3.14Å; E561-K563 PolarHBondContact O-N 3.12Å; K563-E565 PolarHBondContact O-N 2.69Å |
| 564 | E | 70 | Confident | 80.3 | Confident | 141 Ų | 141 | 82.4 Ų | 82.4 | 66% | 0.659 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -68.2 | -27.8 | 178.6 | -72.1 | 179.3 | -176 | 0 | 0 | 111.8 | Q560 E561 | Q560-E564 PolarHBondContact NE2-OE1 3.35Å; Q560-E564 WeakPolarHBondContact O-CG 3.35Å; Q560-E564 PolarHBondContact O-N 3.17Å; E561-E564 PolarHBondContact O-N 2.85Å |
| 565 | E | 63.5 | Low | 80.7 | Confident | 96 Ų | 96 | 82.4 Ų | 82.4 | 45% | 0.449 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 27.7 | -170.1 | -61.6 | 178.3 | -179.6 | 0 | 0 | 114 | E561 K563 M567 R676 | E561-E565 VanDerWaalsContact O-CB 3.26Å; E561-E565 WeakPolarHBondContact O-CB 3.16Å; E561-E565 VanDerWaalsContact O-CG 3.29Å; E561-E565 WeakPolarHBondContact O-CG 3.17Å; E561-E565 PolarHBondContact O-N 3.47Å; K563-E565 PolarHBondContact O-N 2.69Å; E565-M567 PolarHBondContact O-N 3.33Å; E565-R676 PolarHBondContact O-NH1 2.86Å; E565-R676 IonicContact OE2-CZ 2.62Å; E565-R676 IonicContact OE2-NH1 3.98Å; E565-R676 PolarHBondContact OE2-NH1 3.12Å |
| 566 | Q | 64.3 | Low | 81.3 | Confident | 121 Ų | 121 | 86.9 Ų | 86.9 | 57% | 0.565 | 43% | 0.433 | S | S | * | . | trans | -55.7 | 112.8 | 176.5 | -76.3 | -168.7 | -29.9 | 0 | 0 | 111.2 | R568 | Q566-R568 PolarHBondContact O-N 3.45Š| ||
| 567 | M | 70.2 | Confident | 81.9 | Confident | 52 Ų | 52 | 84 Ų | 84 | 26% | 0.256 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 132.2 | -176.5 | -67.7 | -177.3 | -72.7 | 0 | 0 | 111.4 | E565 R676 E680 | E565-M567 PolarHBondContact O-N 3.33Å; M567-R676 HydrophobicContact CG-CG 4.26Å; M567-R676 HydrophobicContact SD-CG 3.98Å; M567-E680 HydrophobicContact CE-CB 3.64Å; M567-E680 HydrophobicContact CE-CG 4.49Å; M567-E680 WeakPolarHBondContact CE-OE2 3.26Å; M567-E680 HydrophobicContact SD-CB 3.76Å |
| 568 | R | 77.6 | Confident | 82.3 | Confident | 184 Ų | 184 | 82.4 Ų | 82.4 | 69% | 0.694 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -80 | 131.6 | 169.2 | -63 | 176.5 | -173.5 | 168.4 | 5.9 | 109 | Q566 E673 | Q566-R568 PolarHBondContact O-N 3.45Å; R568-E673 WeakPolarHBondContact CD-OE1 3.27Å; R568-E673 IonicContact NE-OE1 3.32Å |
| 569 | L | 84.1 | Confident | 82.8 | Confident | 94 Ų | 94 | 83.3 Ų | 83.3 | 49% | 0.492 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -78 | 156.2 | 170.4 | -62.5 | 177.1 | 0 | 0 | 0 | 109.9 | Y681 | L569-Y681 HydrophobicContact CD2-CD2 3.86Å; L569-Y681 HydrophobicContact CD2-CE2 3.52Å |
| 570 | P | 88.8 | Confident | 83.5 | Confident | 21 Ų | 21 | 83.3 Ų | 83.3 | 14% | 0.136 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 155.7 | 170.7 | -24.9 | 35.6 | 0 | 0 | 0 | 111.9 | A572 Y575 A578 I650 P651 F677 | P570-A572 PolarHBondContact O-N 2.86Å; P570-Y575 HydrophobicContact CB-CD1 4.42Å; P570-Y575 HydrophobicContact CB-CG 4.46Å; P570-Y575 HydrophobicContact CG-CD1 4.37Å; P570-A578 WeakPolarHBondContact O-CB 3.32Å; P570-I650 HydrophobicContact CG-CG2 4.08Å; P570-P651 HydrophobicContact CB-CG 4.13Å; P570-F677 HydrophobicContact CG-CE1 4.5Å; P570-F677 HydrophobicContact CG-CE2 4.4Å; P570-F677 HydrophobicContact CG-CZ 3.67Å |
| 571 | S | 89.6 | Confident | 84.2 | Confident | 62 Ų | 62 | 82.2 Ų | 82.2 | 43% | 0.434 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 136.4 | 172.1 | 179 | 0 | 0 | 0 | 0 | 110.3 | D573 V574 Y575 | S571-D573 PolarHBondContact O-N 2.94Å; S571-D573 VanDerWaalsContact O-N 3.14Å; S571-D573 PolarHBondContact OG-N 3.45Å; S571-D573 PolarHBondContact OG-OD2 3.42Å; S571-V574 VanDerWaalsContact O-CG2 3.24Å; S571-V574 WeakPolarHBondContact O-CG2 3.23Å; S571-V574 PolarHBondContact O-N 3.48Å; S571-V574 VanDerWaalsContact O-N 3.14Å; S571-Y575 PolarHBondContact O-N 3.37Å |
| 572 | A | 92 | Very high | 84.8 | Confident | 43 Ų | 43 | 81.8 Ų | 81.8 | 36% | 0.355 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P570 | P570-A572 PolarHBondContact O-N 2.86Š|
| 573 | D | 91.6 | Very high | 85.8 | Confident | 153 Ų | 153 | 84.1 Ų | 84.1 | 82% | 0.818 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -33.3 | 177.4 | -60.3 | -43.4 | 0 | 0 | 0 | 112.8 | S571 | S571-D573 PolarHBondContact O-N 2.94Å; S571-D573 VanDerWaalsContact O-N 3.14Å; S571-D573 PolarHBondContact OG-N 3.45Å; S571-D573 PolarHBondContact OG-OD2 3.42Å |
| 574 | V | 93.7 | Very high | 86.9 | Confident | 102 Ų | 102 | 81.9 Ų | 81.9 | 62% | 0.618 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -23.2 | -179.6 | -61 | 0 | 0 | 0 | 0 | 112.4 | S571 P651 | S571-V574 VanDerWaalsContact O-CG2 3.24Å; S571-V574 WeakPolarHBondContact O-CG2 3.23Å; S571-V574 PolarHBondContact O-N 3.48Å; S571-V574 VanDerWaalsContact O-N 3.14Å; V574-P651 HydrophobicContact CG2-CG 3.91Å |
| 575 | Y | 95.5 | Very high | 88.1 | Confident | 2 Ų | 2 | 75.4 Ų | 75.4 | 1% | 0.008 | 39% | 0.389 | C | S | . | . | trans | -140.8 | 100.7 | -176.3 | -172.8 | -106.4 | 0 | 0 | 0 | 110.4 | P570 S571 F577 A578 E646 R647 I650 | P570-Y575 HydrophobicContact CB-CD1 4.42Å; P570-Y575 HydrophobicContact CB-CG 4.46Å; P570-Y575 HydrophobicContact CG-CD1 4.37Å; S571-Y575 PolarHBondContact O-N 3.37Å; Y575-F577 HydrophobicContact CD1-CB 4.15Å; Y575-F577 HydrophobicContact CD2-CD2 4.37Å; Y575-F577 HydrophobicContact CE1-CB 3.58Å; Y575-F577 HydrophobicContact CE1-CD2 4.13Å; Y575-F577 HydrophobicContact CE1-CG 4.33Å; Y575-F577 AromaticContact CE2-CD2 3.85Å; Y575-F577 HydrophobicContact CE2-CD2 3.85Å; Y575-F577 AromaticContact CZ-CD2 3.71Å; Y575-F577 PolarHBondContact O-N 3.23Å; Y575-F577 VanDerWaalsContact O-N 3.1Å; Y575-A578 HydrophobicContact CD1-CB 3.98Å; Y575-A578 WeakPolarHBondContact O-CB 3.34Å; Y575-A578 PolarHBondContact O-N 3.37Å; Y575-E646 WeakPolarHBondContact CE2-O 3.32Å; Y575-R647 VanDerWaalsContact OH-CD 3.26Å; Y575-R647 WeakPolarHBondContact OH-CD 3.43Å; Y575-R647 PolarHBondContact OH-NH1 3.49Å; Y575-R647 PolarHBondContact OH-O 3.03Å; Y575-I650 HydrophobicContact CE2-CB 4.47Å; Y575-I650 HydrophobicContact CE2-CG1 3.86Å; Y575-I650 WeakPolarHBondContact OH-CG1 3.29Å | ||
| 576 | R | 95.7 | Very high | 89.6 | Confident | 113 Ų | 113 | 71.1 Ų | 71.1 | 43% | 0.426 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -61.4 | -25.8 | -169.8 | -61.3 | -170 | -66 | 166.9 | -1.5 | 114 | A578 E579 I607 E646 | R576-A578 PolarHBondContact O-N 2.92Å; R576-E579 PolarHBondContact O-N 3.36Å; R576-I607 HydrophobicContact CB-CG2 4.38Å; R576-E646 IonicContact CZ-OE1 3.26Å; R576-E646 IonicContact CZ-OE2 3.77Å; R576-E646 IonicContact NE-OE1 3.41Å; R576-E646 PolarHBondContact NE-OE1 3.28Å; R576-E646 IonicContact NE-OE2 2.85Å; R576-E646 IonicContact NH2-OE1 2.71Å; R576-E646 PolarHBondContact NH2-OE1 3.16Å; R576-E646 IonicContact NH2-OE2 2.59Å; R576-E646 PolarHBondContact NH2-OE2 3.38Å |
| 577 | F | 97 | Very high | 91 | Very high | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.009 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -79.6 | 3.1 | 178.4 | -48 | -88.1 | 0 | 0 | 0 | 113.8 | Y575 I607 I610 E611 L643 E646 R647 | Y575-F577 HydrophobicContact CD1-CB 4.15Å; Y575-F577 HydrophobicContact CD2-CD2 4.37Å; Y575-F577 HydrophobicContact CE1-CB 3.58Å; Y575-F577 HydrophobicContact CE1-CD2 4.13Å; Y575-F577 HydrophobicContact CE1-CG 4.33Å; Y575-F577 AromaticContact CE2-CD2 3.85Å; Y575-F577 HydrophobicContact CE2-CD2 3.85Å; Y575-F577 AromaticContact CZ-CD2 3.71Å; Y575-F577 PolarHBondContact O-N 3.23Å; Y575-F577 VanDerWaalsContact O-N 3.1Å; F577-I607 HydrophobicContact CD1-CG2 3.58Å; F577-I607 WeakPolarHBondContact CD1-O 3.44Å; F577-I607 HydrophobicContact CE1-CD1 4.37Å; F577-I607 HydrophobicContact CE1-CG2 3.88Å; F577-I607 HydrophobicContact CG-CG2 4.22Å; F577-I610 HydrophobicContact CD1-CG2 4.5Å; F577-I610 HydrophobicContact CE1-CB 3.94Å; F577-I610 HydrophobicContact CE1-CG2 3.69Å; F577-I610 HydrophobicContact CZ-CG2 4.18Å; F577-E611 HydrophobicContact CB-CB 4.43Å; F577-E611 HydrophobicContact CB-CG 4.41Å; F577-E611 HydrophobicContact CD1-CB 4.18Å; F577-L643 WeakPolarHBondContact CZ-O 3.45Å; F577-E646 HydrophobicContact CE2-CB 4.13Å; F577-E646 HydrophobicContact CE2-CG 3.88Å; F577-R647 HydrophobicContact CD2-CB 4.29Å; F577-R647 HydrophobicContact CE1-CB 4.45Å; F577-R647 HydrophobicContact CE2-CB 3.81Å; F577-R647 HydrophobicContact CZ-CB 3.91Å |
| 578 | A | 94.3 | Very high | 92.1 | Very high | 13 Ų | 13 | 67.5 Ų | 67.5 | 11% | 0.107 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -93.9 | -0.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P570 Y575 R576 | P570-A578 WeakPolarHBondContact O-CB 3.32Å; Y575-A578 HydrophobicContact CD1-CB 3.98Å; Y575-A578 WeakPolarHBondContact O-CB 3.34Å; Y575-A578 PolarHBondContact O-N 3.37Å; R576-A578 PolarHBondContact O-N 2.92Å |
| 579 | E | 93.7 | Very high | 92.5 | Very high | 90 Ų | 90 | 60.4 Ų | 60.4 | 42% | 0.421 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -57.3 | 132.5 | 173.5 | -168.8 | -171.3 | 148 | 0 | 0 | 110.1 | R576 N585 K608 | R576-E579 PolarHBondContact O-N 3.36Å; E579-N585 PolarHBondContact OE1-ND2 2.82Å; E579-K608 WeakPolarHBondContact O-CE 3.35Å; E579-K608 PolarHBondContact O-NZ 3.04Å |
| 580 | P | 91.9 | Very high | 92 | Very high | 101 Ų | 101 | 64.6 Ų | 64.6 | 66% | 0.656 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 149.9 | 178.9 | -25.1 | 34.9 | 0 | 0 | 0 | 113.5 | S582 N585 | P580-S582 PolarHBondContact O-N 3.22Å; P580-N585 PolarHBondContact O-ND2 3.43Å |
| 581 | D | 93.4 | Very high | 90.7 | Very high | 64 Ų | 64 | 70.9 Ų | 70.9 | 34% | 0.342 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 134.1 | 171.2 | -79 | 4.2 | 0 | 0 | 0 | 111.2 | I586 K608 R612 | D581-I586 HydrophobicContact CB-CG2 3.89Å; D581-K608 WeakPolarHBondContact OD1-CD 3.08Å; D581-K608 WeakPolarHBondContact OD1-CE 3.46Å; D581-K608 IonicContact OD1-NZ 2.9Å; D581-K608 PolarHBondContact OD1-NZ 3.42Å; D581-R612 IonicContact OD1-NH2 3.73Å; D581-R612 IonicContact OD2-CZ 3.86Å; D581-R612 IonicContact OD2-NE 3.72Å; D581-R612 IonicContact OD2-NH2 3.88Å; D581-R612 PolarHBondContact OD2-NH2 3.21Å |
| 582 | S | 92 | Very high | 89.3 | Confident | 49 Ų | 49 | 72.7 Ų | 72.7 | 34% | 0.343 | 38% | 0.378 | S | S | . | . | trans | -147 | 161.5 | 173.1 | 69.9 | 0 | 0 | 0 | 0 | 110.5 | P580 E584 N585 I586 | P580-S582 PolarHBondContact O-N 3.22Å; S582-E584 PolarHBondContact O-N 3.13Å; S582-E584 PolarHBondContact OG-N 3.17Å; S582-N585 PolarHBondContact N-OD1 2.84Å; S582-N585 PolarHBondContact O-N 3.47Å; S582-N585 PolarHBondContact O-OD1 2.89Å; S582-N585 PolarHBondContact OG-ND2 3.37Å; S582-I586 PolarHBondContact O-N 3.49Å; S582-I586 VanDerWaalsContact O-O 3.05Å | ||
| 583 | E | 91.8 | Very high | 87.4 | Confident | 127 Ų | 127 | 73.1 Ų | 73.1 | 59% | 0.593 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -14.4 | 173.8 | -65.8 | -168.9 | 169.4 | 0 | 0 | 113.4 | R950 H951 | E583-R950 WeakPolarHBondContact O-CB 3.41Å; E583-H951 IonicContact OE2-CD2 3.43Å; E583-H951 IonicContact OE2-CE1 2.61Å; E583-H951 IonicContact OE2-NE2 3.22Å; E583-H951 PolarHBondContact OE2-NE2 3.22Å |
| 584 | E | 93.7 | Very high | 85.4 | Confident | 89 Ų | 89 | 69.9 Ų | 69.9 | 42% | 0.416 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -19.6 | 176.4 | -50.3 | -157.5 | 167.6 | 0 | 0 | 113.4 | S582 H951 K953 L955 | S582-E584 PolarHBondContact O-N 3.13Å; S582-E584 PolarHBondContact OG-N 3.17Å; E584-H951 HydrophobicContact CG-CB 3.77Å; E584-K953 HydrophobicContact CB-CG 4.05Å; E584-K953 WeakPolarHBondContact O-CB 3.47Å; E584-L955 WeakPolarHBondContact O-CD2 3.31Å |
| 585 | N | 95.1 | Very high | 83.5 | Confident | 5 Ų | 5 | 73.1 Ų | 73.1 | 3% | 0.027 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | -23.4 | -173.5 | 66.7 | 25.8 | 0 | 0 | 0 | 114.5 | E579 P580 S582 G604 T605 K608 | E579-N585 PolarHBondContact OE1-ND2 2.82Å; P580-N585 PolarHBondContact O-ND2 3.43Å; S582-N585 PolarHBondContact N-OD1 2.84Å; S582-N585 PolarHBondContact O-N 3.47Å; S582-N585 PolarHBondContact O-OD1 2.89Å; S582-N585 PolarHBondContact OG-ND2 3.37Å; N585-G604 CarbonylContact O-C 3.54Å; N585-G604 WeakPolarHBondContact O-CA 3.35Å; N585-T605 HydrophobicContact CB-CG2 4.17Å; N585-T605 PolarHBondContact O-N 3.13Å; N585-K608 HydrophobicContact CB-CG 4.1Å |
| 586 | I | 95.8 | Very high | 81.4 | Confident | 6 Ų | 6 | 75 Ų | 75 | 3% | 0.031 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 146.8 | 176.7 | -166.4 | 166.8 | 0 | 0 | 0 | 112.3 | D581 S582 F588 I601 A603 K608 R612 | D581-I586 HydrophobicContact CB-CG2 3.89Å; S582-I586 PolarHBondContact O-N 3.49Å; S582-I586 VanDerWaalsContact O-O 3.05Å; I586-F588 HydrophobicContact CD1-CE1 3.85Å; I586-F588 HydrophobicContact CD1-CE2 4.25Å; I586-F588 HydrophobicContact CD1-CZ 3.53Å; I586-F588 HydrophobicContact CG1-CE1 4.36Å; I586-F588 HydrophobicContact CG1-CE2 4.27Å; I586-F588 HydrophobicContact CG1-CZ 4.01Å; I586-F588 HydrophobicContact CG2-CE2 4.06Å; I586-F588 HydrophobicContact CG2-CZ 4.35Å; I586-I601 HydrophobicContact CD1-CD1 4.35Å; I586-I601 HydrophobicContact CD1-CG1 4.39Å; I586-I601 HydrophobicContact CG1-CG2 4.3Å; I586-A603 CarbonylContact C-O 3.11Å; I586-K608 HydrophobicContact CB-CB 4.26Å; I586-K608 HydrophobicContact CB-CD 4.34Å; I586-K608 HydrophobicContact CB-CG 4.3Å; I586-K608 HydrophobicContact CD1-CB 4.3Å; I586-K608 HydrophobicContact CG2-CD 4.44Å; I586-R612 HydrophobicContact CD1-CG 3.75Å |
| 587 | I | 94.4 | Very high | 79.8 | Confident | 29 Ų | 29 | 71.6 Ų | 71.6 | 15% | 0.149 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 133.6 | 175.5 | -49.3 | 174.1 | 0 | 0 | 0 | 108.9 | K602 A603 R950 L955 | I587-K602 HydrophobicContact CB-CB 4.21Å; I587-K602 HydrophobicContact CG2-CB 4.08Å; I587-K602 HydrophobicContact CG2-CD 4.12Å; I587-K602 WeakPolarHBondContact O-CB 3.33Å; I587-K602 PolarHBondContact O-N 3.16Å; I587-A603 HydrophobicContact CD1-CB 4.27Å; I587-A603 PolarHBondContact N-O 3.09Å; I587-A603 PolarHBondContact O-N 3.01Å; I587-R950 HydrophobicContact CD1-CG 3.46Å; I587-R950 VanDerWaalsContact CD1-CG 3.46Å; I587-R950 HydrophobicContact CG1-CG 4.35Å; I587-L955 HydrophobicContact CD1-CD1 3.91Å; I587-L955 HydrophobicContact CG1-CD1 3.78Å |
| 588 | F | 91.6 | Very high | 78.8 | Confident | 69 Ų | 69 | 75.1 Ų | 75.1 | 30% | 0.303 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 160.2 | 175.1 | -59.1 | -78.9 | 0 | 0 | 0 | 112.2 | I586 P599 I600 I601 | I586-F588 HydrophobicContact CD1-CE1 3.85Å; I586-F588 HydrophobicContact CD1-CE2 4.25Å; I586-F588 HydrophobicContact CD1-CZ 3.53Å; I586-F588 HydrophobicContact CG1-CE1 4.36Å; I586-F588 HydrophobicContact CG1-CE2 4.27Å; I586-F588 HydrophobicContact CG1-CZ 4.01Å; I586-F588 HydrophobicContact CG2-CE2 4.06Å; I586-F588 HydrophobicContact CG2-CZ 4.35Å; F588-P599 HydrophobicContact CD1-CB 3.59Å; F588-P599 HydrophobicContact CE1-CB 3.62Å; F588-P599 HydrophobicContact CG-CB 4.48Å; F588-I600 CarbonylContact C-O 3.55Å; F588-I600 WeakPolarHBondContact CA-O 3.23Å; F588-I601 HydrophobicContact CD1-CG1 4.35Å; F588-I601 HydrophobicContact CE1-CG1 4.15Å |
| 589 | E | 86.5 | Confident | 78.3 | Confident | 34 Ų | 34 | 76.6 Ų | 76.6 | 16% | 0.159 | 41% | 0.409 | C | S | . | . | trans | -91.3 | 118.7 | 175 | -70.9 | -131.9 | -150.4 | 0 | 0 | 112.4 | Q593 I600 K602 R962 | E589-Q593 WeakPolarHBondContact O-CG 3.45Å; E589-I600 HydrophobicContact CB-CG2 4.46Å; E589-I600 PolarHBondContact N-O 3.36Å; E589-K602 HydrophobicContact CG-CB 3.69Å; E589-K602 HydrophobicContact CG-CD 4.26Å; E589-K602 HydrophobicContact CG-CG 3.99Å; E589-R962 IonicContact OE1-CZ 3.47Å; E589-R962 IonicContact OE1-NH2 3.65Å; E589-R962 PolarHBondContact OE1-NH2 2.88Å | ||
| 590 | E | 74.4 | Confident | 78.1 | Confident | 182 Ų | 182 | 74.5 Ų | 74.5 | 85% | 0.85 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -75.8 | -33.2 | 178.9 | -64.1 | 172.1 | -173.1 | 0 | 0 | 113 | ||
| 591 | N | 61.7 | Low | 78.1 | Confident | 154 Ų | 154 | 70 Ų | 70 | 82% | 0.824 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -16.1 | -171 | -86 | -15.6 | 0 | 0 | 0 | 115 | ||
| 592 | M | 59.1 | Low | 78.2 | Confident | 100 Ų | 100 | 70.3 Ų | 70.3 | 49% | 0.493 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 0.9 | -175.8 | -57.8 | -160.8 | 81.4 | 0 | 0 | 113.5 | P594 I600 | M592-P594 WeakPolarHBondContact O-CD 3.35Å; M592-I600 HydrophobicContact CB-CD1 3.88Å |
| 593 | Q | 53.2 | Low | 78.4 | Confident | 51 Ų | 51 | 68 Ų | 68 | 24% | 0.238 | 35% | 0.352 | C | S | . | . | trans | -100.4 | 114.4 | -175.3 | -67.8 | -72.1 | -34.1 | 0 | 0 | 111.4 | E589 G597 I598 I600 | E589-Q593 WeakPolarHBondContact O-CG 3.45Å; Q593-G597 PolarHBondContact OE1-O 3.34Å; Q593-I598 PolarHBondContact NE2-O 3.44Å; Q593-I598 PolarHBondContact OE1-O 2.82Å; Q593-I600 VanDerWaalsContact NE2-CG1 3.31Å | ||
| 594 | P | 49.7 | Very low | 78.7 | Confident | 85 Ų | 85 | 61.9 Ų | 61.9 | 55% | 0.552 | 32% | 0.324 | S | S | * | . | trans | -60.5 | 138.2 | 143.1 | -6.8 | 24 | 0 | 0 | 0 | 107.1 | M592 A596 G597 | M592-P594 WeakPolarHBondContact O-CD 3.35Å; P594-A596 PolarHBondContact O-N 2.77Å; P594-G597 PolarHBondContact O-N 2.89Å; P594-G597 VanDerWaalsContact O-N 3.12Å | ||
| 595 | K | 53.8 | Low | 78.9 | Confident | 171 Ų | 171 | 59.7 Ų | 59.7 | 74% | 0.743 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 17.3 | -161.3 | -65 | 173.6 | 176.5 | -179.5 | 0 | 115.2 | ||
| 596 | A | 51.4 | Low | 79 | Confident | 42 Ų | 42 | 61 Ų | 61 | 35% | 0.347 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | 2.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P36 P594 | P36-A596 WeakPolarHBondContact O-CA 3.35Å; P36-A596 WeakPolarHBondContact O-CB 3.49Å; P594-A596 PolarHBondContact O-N 2.77Å |
| 597 | G | 62.3 | Low | 79.1 | Confident | 41 Ų | 41 | 62.1 Ų | 62.1 | 42% | 0.423 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -93.4 | 168 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q593 P594 | Q593-G597 PolarHBondContact OE1-O 3.34Å; P594-G597 PolarHBondContact O-N 2.89Å; P594-G597 VanDerWaalsContact O-N 3.12Å |
| 598 | I | 74.9 | Confident | 79.3 | Confident | 75 Ų | 75 | 60.8 Ų | 60.8 | 39% | 0.385 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 128.9 | 170 | -63.8 | 168.3 | 0 | 0 | 0 | 109.2 | Q593 I600 Y618 A619 D620 | Q593-I598 PolarHBondContact NE2-O 3.44Å; Q593-I598 PolarHBondContact OE1-O 2.82Å; I598-I600 PolarHBondContact O-N 3.16Å; I598-Y618 HydrophobicContact CG2-CD2 3.62Å; I598-Y618 HydrophobicContact CG2-CE2 3.56Å; I598-Y618 HydrophobicContact CG2-CG 4.3Å; I598-A619 WeakPolarHBondContact CD1-O 3.39Å; I598-D620 HydrophobicContact CG2-CB 4.33Å |
| 599 | P | 84.1 | Confident | 79.6 | Confident | 44 Ų | 44 | 57.5 Ų | 57.5 | 29% | 0.286 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 123.1 | 179.7 | -24.4 | 32.5 | 0 | 0 | 0 | 113.4 | F588 Y618 | F588-P599 HydrophobicContact CD1-CB 3.59Å; F588-P599 HydrophobicContact CE1-CB 3.62Å; F588-P599 HydrophobicContact CG-CB 4.48Å; P599-Y618 HydrophobicContact CG-CE1 4.08Å |
| 600 | I | 88.6 | Confident | 80.1 | Confident | 47 Ų | 47 | 55.9 Ų | 55.9 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -91.9 | 121.4 | 176.6 | -65.6 | 163.6 | 0 | 0 | 0 | 109.3 | F588 E589 M592 Q593 I598 | F588-I600 CarbonylContact C-O 3.55Å; F588-I600 WeakPolarHBondContact CA-O 3.23Å; E589-I600 HydrophobicContact CB-CG2 4.46Å; E589-I600 PolarHBondContact N-O 3.36Å; M592-I600 HydrophobicContact CB-CD1 3.88Å; Q593-I600 VanDerWaalsContact NE2-CG1 3.31Å; I598-I600 PolarHBondContact O-N 3.16Å |
| 601 | I | 93.5 | Very high | 81.2 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 130.5 | -179 | -52.5 | 172.6 | 0 | 0 | 0 | 110.6 | I586 F588 L609 R612 F623 R962 | I586-I601 HydrophobicContact CD1-CD1 4.35Å; I586-I601 HydrophobicContact CD1-CG1 4.39Å; I586-I601 HydrophobicContact CG1-CG2 4.3Å; F588-I601 HydrophobicContact CD1-CG1 4.35Å; F588-I601 HydrophobicContact CE1-CG1 4.15Å; I601-L609 HydrophobicContact CD1-CD2 4.12Å; I601-L609 HydrophobicContact CG2-CD2 3.9Å; I601-R612 HydrophobicContact CD1-CB 3.4Å; I601-R612 VanDerWaalsContact CD1-CB 3.4Å; I601-R612 HydrophobicContact CD1-CG 3.63Å; I601-R612 HydrophobicContact CG1-CG 4.47Å; I601-F623 HydrophobicContact CB-CE2 4.5Å; I601-F623 HydrophobicContact CD1-CD2 4.5Å; I601-F623 HydrophobicContact CD1-CE2 3.66Å; I601-F623 HydrophobicContact CD1-CZ 3.67Å; I601-F623 HydrophobicContact CG1-CE2 4.42Å; I601-R962 PolarHBondContact O-NH1 3.36Å |
| 602 | K | 94.5 | Very high | 82.9 | Confident | 70 Ų | 70 | 41.5 Ų | 41.5 | 30% | 0.304 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | -50.6 | 169.9 | -167.2 | 171.4 | -179.2 | 162.9 | 0 | 111.2 | I587 E589 L948 F958 S959 | I587-K602 HydrophobicContact CB-CB 4.21Å; I587-K602 HydrophobicContact CG2-CB 4.08Å; I587-K602 HydrophobicContact CG2-CD 4.12Å; I587-K602 WeakPolarHBondContact O-CB 3.33Å; I587-K602 PolarHBondContact O-N 3.16Å; E589-K602 HydrophobicContact CG-CB 3.69Å; E589-K602 HydrophobicContact CG-CD 4.26Å; E589-K602 HydrophobicContact CG-CG 3.99Å; K602-L948 HydrophobicContact CG-CD1 4.31Å; K602-F958 PolarHBondContact O-N 3.38Å; K602-S959 PolarHBondContact O-N 3.48Å |
| 603 | A | 96.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 158.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I586 I587 L948 L955 I956 | I586-A603 CarbonylContact C-O 3.11Å; I587-A603 HydrophobicContact CD1-CB 4.27Å; I587-A603 PolarHBondContact N-O 3.09Å; I587-A603 PolarHBondContact O-N 3.01Å; A603-L948 HydrophobicContact CB-CB 4.4Å; A603-L948 HydrophobicContact CB-CD1 3.82Å; A603-L948 HydrophobicContact CB-CG 4.25Å; A603-L955 HydrophobicContact CB-CB 3.92Å; A603-I956 WeakPolarHBondContact CA-O 3.31Å; A603-I956 WeakPolarHBondContact CB-O 3.31Å |
| 604 | G | 97 | Very high | 86.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.4 | 172.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | N585 I956 | N585-G604 CarbonylContact O-C 3.54Å; N585-G604 WeakPolarHBondContact O-CA 3.35Å; G604-I956 PolarHBondContact N-O 3.18Å; G604-I956 WeakPolarHBondContact O-CB 3.33Å; G604-I956 PolarHBondContact O-N 3.41Å |
| 605 | T | 97.8 | Very high | 89 | Confident | 42 Ų | 42 | 32.6 Ų | 32.6 | 26% | 0.258 | 18% | 0.177 | S | C | . | . | trans | -70.3 | 159.7 | 168.6 | 65.7 | 0 | 0 | 0 | 0 | 110.2 | N585 I607 K608 L609 L955 | N585-T605 HydrophobicContact CB-CG2 4.17Å; N585-T605 PolarHBondContact O-N 3.13Å; T605-I607 PolarHBondContact O-N 3.4Å; T605-K608 PolarHBondContact O-N 2.87Å; T605-K608 PolarHBondContact OG1-N 2.95Å; T605-L609 WeakPolarHBondContact O-CG 3.46Å; T605-L609 PolarHBondContact O-N 3.24Å; T605-L955 HydrophobicContact CG2-CD2 3.71Å | ||
| 606 | V | 97.9 | Very high | 90.7 | Very high | 34 Ų | 34 | 26 Ų | 26 | 21% | 0.206 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.1 | -39.5 | 176.3 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | L609 I610 F634 C635 L643 I956 | V606-L609 PolarHBondContact O-N 3.09Å; V606-I610 HydrophobicContact CG1-CD1 3.92Å; V606-I610 HydrophobicContact CG1-CG1 4.46Å; V606-I610 WeakPolarHBondContact O-CG1 3.42Å; V606-I610 PolarHBondContact O-N 3.06Å; V606-F634 HydrophobicContact CG2-CD2 4.32Å; V606-C635 HydrophobicContact CG1-CB 4.38Å; V606-L643 HydrophobicContact CG1-CD1 3.6Å; V606-I956 HydrophobicContact CB-CD1 4.37Å; V606-I956 HydrophobicContact CG2-CD1 3.31Å |
| 607 | I | 98.1 | Very high | 92.4 | Very high | 28 Ų | 28 | 30.3 Ų | 30.3 | 14% | 0.144 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.5 | -51.6 | 177.6 | -55.9 | -56.9 | 0 | 0 | 0 | 110.7 | R576 F577 T605 L609 I610 E611 L643 | R576-I607 HydrophobicContact CB-CG2 4.38Å; F577-I607 HydrophobicContact CD1-CG2 3.58Å; F577-I607 WeakPolarHBondContact CD1-O 3.44Å; F577-I607 HydrophobicContact CE1-CD1 4.37Å; F577-I607 HydrophobicContact CE1-CG2 3.88Å; F577-I607 HydrophobicContact CG-CG2 4.22Å; T605-I607 PolarHBondContact O-N 3.4Å; I607-L609 VanDerWaalsContact C-N 3.34Å; I607-L609 PolarHBondContact O-N 3.39Å; I607-I610 PolarHBondContact O-N 2.76Å; I607-E611 WeakPolarHBondContact O-CB 3.26Å; I607-E611 PolarHBondContact O-N 3.02Å; I607-L643 HydrophobicContact CD1-CD2 3.78Å |
| 608 | K | 97.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.009 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.4 | -33.9 | 179.1 | -77.3 | -76.1 | 165 | -165.9 | 0 | 112.9 | E579 D581 N585 I586 T605 E611 R612 | E579-K608 WeakPolarHBondContact O-CE 3.35Å; E579-K608 PolarHBondContact O-NZ 3.04Å; D581-K608 WeakPolarHBondContact OD1-CD 3.08Å; D581-K608 WeakPolarHBondContact OD1-CE 3.46Å; D581-K608 IonicContact OD1-NZ 2.9Å; D581-K608 PolarHBondContact OD1-NZ 3.42Å; N585-K608 HydrophobicContact CB-CG 4.1Å; I586-K608 HydrophobicContact CB-CB 4.26Å; I586-K608 HydrophobicContact CB-CD 4.34Å; I586-K608 HydrophobicContact CB-CG 4.3Å; I586-K608 HydrophobicContact CD1-CB 4.3Å; I586-K608 HydrophobicContact CG2-CD 4.44Å; T605-K608 PolarHBondContact O-N 2.87Å; T605-K608 PolarHBondContact OG1-N 2.95Å; K608-E611 VanDerWaalsContact CD-OE2 3.29Å; K608-E611 WeakPolarHBondContact CD-OE2 3.36Å; K608-E611 VanDerWaalsContact CE-OE2 3.26Å; K608-E611 WeakPolarHBondContact CE-OE2 3.41Å; K608-E611 IonicContact NZ-OE1 3.49Å; K608-E611 PolarHBondContact NZ-OE1 3.37Å; K608-E611 IonicContact NZ-OE2 3.83Å; K608-E611 PolarHBondContact NZ-OE2 3.23Å; K608-R612 WeakPolarHBondContact O-CB 3.23Å; K608-R612 VanDerWaalsContact O-CG 3.3Å; K608-R612 WeakPolarHBondContact O-CG 3.49Å; K608-R612 PolarHBondContact O-N 3.11Å |
| 609 | L | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65 | -42.3 | 173.9 | -66.5 | 176.5 | 0 | 0 | 0 | 111.6 | I601 T605 V606 I607 R612 L613 F623 F627 F634 I956 F958 | I601-L609 HydrophobicContact CD1-CD2 4.12Å; I601-L609 HydrophobicContact CG2-CD2 3.9Å; T605-L609 WeakPolarHBondContact O-CG 3.46Å; T605-L609 PolarHBondContact O-N 3.24Å; V606-L609 PolarHBondContact O-N 3.09Å; I607-L609 VanDerWaalsContact C-N 3.34Å; I607-L609 PolarHBondContact O-N 3.39Å; L609-R612 PolarHBondContact O-N 2.93Å; L609-L613 VanDerWaalsContact O-CB 3.32Å; L609-L613 WeakPolarHBondContact O-CB 3.4Å; L609-L613 PolarHBondContact O-N 2.93Å; L609-F623 HydrophobicContact CD2-CZ 4.12Å; L609-F623 WeakPolarHBondContact O-CE1 3.38Å; L609-F627 HydrophobicContact CB-CE2 4.03Å; L609-F634 HydrophobicContact CD1-CE2 4.06Å; L609-F634 HydrophobicContact CD1-CZ 4.1Å; L609-I956 HydrophobicContact CD1-CB 4.15Å; L609-I956 HydrophobicContact CD1-CD1 4.13Å; L609-I956 HydrophobicContact CD1-CG2 4.17Å; L609-F958 HydrophobicContact CD1-CD2 4.16Å; L609-F958 HydrophobicContact CD2-CB 4.27Å; L609-F958 HydrophobicContact CD2-CD2 4.09Å; L609-F958 HydrophobicContact CD2-CG 4.21Å |
| 610 | I | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -71.8 | -36.7 | 177 | -68.5 | 173.7 | 0 | 0 | 0 | 111.6 | F577 V606 I607 R612 L613 T614 F627 L640 L643 I644 R647 | F577-I610 HydrophobicContact CD1-CG2 4.5Å; F577-I610 HydrophobicContact CE1-CB 3.94Å; F577-I610 HydrophobicContact CE1-CG2 3.69Å; F577-I610 HydrophobicContact CZ-CG2 4.18Å; V606-I610 HydrophobicContact CG1-CD1 3.92Å; V606-I610 HydrophobicContact CG1-CG1 4.46Å; V606-I610 WeakPolarHBondContact O-CG1 3.42Å; V606-I610 PolarHBondContact O-N 3.06Å; I607-I610 PolarHBondContact O-N 2.76Å; I610-R612 VanDerWaalsContact C-N 3.3Å; I610-R612 PolarHBondContact O-N 3.31Å; I610-L613 WeakPolarHBondContact O-CB 3.39Å; I610-L613 PolarHBondContact O-N 3.25Å; I610-T614 PolarHBondContact O-N 3.49Å; I610-T614 VanDerWaalsContact O-N 3.12Å; I610-T614 PolarHBondContact O-OG1 3.07Å; I610-F627 HydrophobicContact CG1-CE2 4.49Å; I610-F627 HydrophobicContact CG1-CZ 4.04Å; I610-L640 HydrophobicContact CD1-CD1 3.9Å; I610-L640 HydrophobicContact CG1-CD1 4.31Å; I610-L643 HydrophobicContact CD1-CB 3.37Å; I610-L643 HydrophobicContact CD1-CD1 3.52Å; I610-L643 HydrophobicContact CD1-CG 4.05Å; I610-I644 HydrophobicContact CG2-CG2 4.31Å; I610-R647 HydrophobicContact CG2-CB 4.25Å; I610-R647 HydrophobicContact CG2-CG 4.28Å |
| 611 | E | 97.9 | Very high | 94.4 | Very high | 14 Ų | 14 | 28.8 Ų | 28.8 | 7% | 0.065 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.3 | -46 | 171.7 | -174.9 | -166.5 | 141.7 | 0 | 0 | 110.8 | F577 I607 K608 T614 Y615 | F577-E611 HydrophobicContact CB-CB 4.43Å; F577-E611 HydrophobicContact CB-CG 4.41Å; F577-E611 HydrophobicContact CD1-CB 4.18Å; I607-E611 WeakPolarHBondContact O-CB 3.26Å; I607-E611 PolarHBondContact O-N 3.02Å; K608-E611 VanDerWaalsContact CD-OE2 3.29Å; K608-E611 WeakPolarHBondContact CD-OE2 3.36Å; K608-E611 VanDerWaalsContact CE-OE2 3.26Å; K608-E611 WeakPolarHBondContact CE-OE2 3.41Å; K608-E611 IonicContact NZ-OE1 3.49Å; K608-E611 PolarHBondContact NZ-OE1 3.37Å; K608-E611 IonicContact NZ-OE2 3.83Å; K608-E611 PolarHBondContact NZ-OE2 3.23Å; E611-T614 CarbonylContact O-C 3.6Å; E611-T614 PolarHBondContact O-N 3.37Å; E611-Y615 HydrophobicContact CG-CD2 4.34Å; E611-Y615 WeakPolarHBondContact O-CA 3.37Å; E611-Y615 PolarHBondContact O-N 3.36Å |
| 612 | R | 96.6 | Very high | 94.2 | Very high | 20 Ų | 20 | 33.1 Ų | 33.1 | 8% | 0.075 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -74.7 | -28.8 | 178.4 | -66.5 | -68.3 | 178.8 | -175.5 | -4.8 | 113.6 | D581 I586 I601 K608 L609 I610 T614 Y618 | D581-R612 IonicContact OD1-NH2 3.73Å; D581-R612 IonicContact OD2-CZ 3.86Å; D581-R612 IonicContact OD2-NE 3.72Å; D581-R612 IonicContact OD2-NH2 3.88Å; D581-R612 PolarHBondContact OD2-NH2 3.21Å; I586-R612 HydrophobicContact CD1-CG 3.75Å; I601-R612 HydrophobicContact CD1-CB 3.4Å; I601-R612 VanDerWaalsContact CD1-CB 3.4Å; I601-R612 HydrophobicContact CD1-CG 3.63Å; I601-R612 HydrophobicContact CG1-CG 4.47Å; K608-R612 WeakPolarHBondContact O-CB 3.23Å; K608-R612 VanDerWaalsContact O-CG 3.3Å; K608-R612 WeakPolarHBondContact O-CG 3.49Å; K608-R612 PolarHBondContact O-N 3.11Å; L609-R612 PolarHBondContact O-N 2.93Å; I610-R612 VanDerWaalsContact C-N 3.3Å; I610-R612 PolarHBondContact O-N 3.31Å; R612-T614 PolarHBondContact O-N 3.43Å; R612-Y618 WeakPolarHBondContact CD-OH 3.47Å; R612-Y618 PolarHBondContact NH1-OH 2.86Å |
| 613 | L | 97 | Very high | 94.2 | Very high | 9 Ų | 9 | 30.5 Ų | 30.5 | 5% | 0.047 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.5 | -32.8 | 170.3 | -172.4 | 63.3 | 0 | 0 | 0 | 111.8 | L609 I610 F623 V624 F627 V692 | L609-L613 VanDerWaalsContact O-CB 3.32Å; L609-L613 WeakPolarHBondContact O-CB 3.4Å; L609-L613 PolarHBondContact O-N 2.93Å; I610-L613 WeakPolarHBondContact O-CB 3.39Å; I610-L613 PolarHBondContact O-N 3.25Å; L613-F623 HydrophobicContact CB-CD1 4.16Å; L613-F623 HydrophobicContact CB-CE1 3.78Å; L613-F623 HydrophobicContact CD1-CD1 3.65Å; L613-F623 HydrophobicContact CD1-CE1 3.89Å; L613-F623 HydrophobicContact CG-CE1 4.45Å; L613-V624 HydrophobicContact CD1-CB 4.29Å; L613-V624 HydrophobicContact CD1-CG2 3.84Å; L613-F627 HydrophobicContact CD1-CB 3.93Å; L613-F627 HydrophobicContact CD1-CD1 4.35Å; L613-F627 HydrophobicContact CD1-CG 4.08Å; L613-F627 HydrophobicContact CD2-CD1 3.74Å; L613-F627 HydrophobicContact CD2-CE1 3.86Å; L613-F627 HydrophobicContact CD2-CG 4.1Å; L613-F627 HydrophobicContact CD2-CZ 4.29Å; L613-V692 HydrophobicContact CD1-CG2 4.06Å; L613-V692 HydrophobicContact CD2-CG1 3.98Å; L613-V692 HydrophobicContact CD2-CG2 3.73Å; L613-V692 HydrophobicContact CG-CG2 3.61Å |
| 614 | T | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | 41.9 | -175.9 | 59 | 0 | 0 | 0 | 0 | 110.2 | I610 E611 R612 R647 R688 V689 V692 | I610-T614 PolarHBondContact O-N 3.49Å; I610-T614 VanDerWaalsContact O-N 3.12Å; I610-T614 PolarHBondContact O-OG1 3.07Å; E611-T614 CarbonylContact O-C 3.6Å; E611-T614 PolarHBondContact O-N 3.37Å; R612-T614 PolarHBondContact O-N 3.43Å; T614-R647 PolarHBondContact O-NH2 3.34Å; T614-R647 WeakPolarHBondContact OG1-CG 3.4Å; T614-R647 PolarHBondContact OG1-NE 3.3Å; T614-R688 HydrophobicContact CG2-CB 3.98Å; T614-V689 HydrophobicContact CG2-CB 4.46Å; T614-V689 HydrophobicContact CG2-CG2 3.77Å; T614-V692 HydrophobicContact CG2-CG2 4.16Å |
| 615 | Y | 95.2 | Very high | 93.9 | Very high | 40 Ų | 40 | 34.6 Ų | 34.6 | 16% | 0.157 | 18% | 0.177 | C | C | . | . | trans | -68.7 | 143.1 | -175.8 | -160.5 | -118.2 | 0 | 0 | 0 | 109.5 | E611 M617 Y618 R688 | E611-Y615 HydrophobicContact CG-CD2 4.34Å; E611-Y615 WeakPolarHBondContact O-CA 3.37Å; E611-Y615 PolarHBondContact O-N 3.36Å; Y615-M617 HydrophobicContact CD1-CB 3.77Å; Y615-M617 HydrophobicContact CD1-CG 4.13Å; Y615-M617 HydrophobicContact CE1-CB 3.56Å; Y615-M617 HydrophobicContact CE1-CG 3.49Å; Y615-M617 VanDerWaalsContact CE1-CG 3.49Å; Y615-Y618 AromaticContact CD1-CD1 3.67Å; Y615-Y618 HydrophobicContact CD1-CD1 3.67Å; Y615-Y618 AromaticContact CD1-CE1 3.34Å; Y615-Y618 HydrophobicContact CD1-CE1 3.34Å; Y615-Y618 HydrophobicContact CD1-CE2 4.22Å; Y615-Y618 HydrophobicContact CD1-CG 4.25Å; Y615-Y618 AromaticContact CD1-CZ 3.65Å; Y615-Y618 HydrophobicContact CE1-CD1 4.13Å; Y615-Y618 AromaticContact CE1-CE1 3.67Å; Y615-Y618 HydrophobicContact CE1-CE1 3.67Å; Y615-Y618 HydrophobicContact CG-CE1 4.3Å; Y615-R688 WeakPolarHBondContact O-CD 3.47Å; Y615-R688 VanDerWaalsContact O-CZ 3.28Å; Y615-R688 PolarHBondContact O-NE 3.21Å; Y615-R688 PolarHBondContact O-NH1 3.43Å | ||
| 616 | H | 91.3 | Very high | 93.7 | Very high | 32 Ų | 32 | 33.5 Ų | 33.5 | 15% | 0.148 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -78.3 | -24.3 | -173.8 | 61.8 | -78.3 | 0 | 0 | 0 | 113.9 | Y681 V685 R688 | H616-Y681 HydrophobicContact CB-CD2 3.93Å; H616-Y681 HydrophobicContact CB-CE2 4.32Å; H616-Y681 AromaticContact CD2-CD2 3.82Å; H616-Y681 AromaticContact CE1-CD2 3.99Å; H616-Y681 AromaticContact CE1-CE2 3.78Å; H616-Y681 AromaticContact CG-CD2 3.53Å; H616-Y681 AromaticContact CG-CE2 3.8Å; H616-Y681 AromaticContact ND1-CD2 3.65Å; H616-Y681 AromaticContact ND1-CE2 3.41Å; H616-Y681 WeakPolarHBondContact ND1-CE2 3.23Å; H616-V685 HydrophobicContact CB-CG2 3.9Å; H616-R688 VanDerWaalsContact CA-NH1 3.26Å; H616-R688 PolarHBondContact O-NH1 3.44Å |
| 617 | M | 86.8 | Confident | 93.6 | Very high | 133 Ų | 133 | 31.9 Ų | 31.9 | 66% | 0.655 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -85.2 | -26.1 | -174.8 | -59 | -63.5 | -69.6 | 0 | 0 | 114.8 | Y615 | Y615-M617 HydrophobicContact CD1-CB 3.77Å; Y615-M617 HydrophobicContact CD1-CG 4.13Å; Y615-M617 HydrophobicContact CE1-CB 3.56Å; Y615-M617 HydrophobicContact CE1-CG 3.49Å; Y615-M617 VanDerWaalsContact CE1-CG 3.49Å |
| 618 | Y | 87.8 | Confident | 93.5 | Very high | 43 Ų | 43 | 30.6 Ų | 30.6 | 17% | 0.169 | 15% | 0.154 | C | C | . | . | trans | -154.3 | 156.3 | -176 | 57.5 | -104.3 | 0 | 0 | 0 | 110.6 | I598 P599 R612 Y615 | I598-Y618 HydrophobicContact CG2-CD2 3.62Å; I598-Y618 HydrophobicContact CG2-CE2 3.56Å; I598-Y618 HydrophobicContact CG2-CG 4.3Å; P599-Y618 HydrophobicContact CG-CE1 4.08Å; R612-Y618 WeakPolarHBondContact CD-OH 3.47Å; R612-Y618 PolarHBondContact NH1-OH 2.86Å; Y615-Y618 AromaticContact CD1-CD1 3.67Å; Y615-Y618 HydrophobicContact CD1-CD1 3.67Å; Y615-Y618 AromaticContact CD1-CE1 3.34Å; Y615-Y618 HydrophobicContact CD1-CE1 3.34Å; Y615-Y618 HydrophobicContact CD1-CE2 4.22Å; Y615-Y618 HydrophobicContact CD1-CG 4.25Å; Y615-Y618 AromaticContact CD1-CZ 3.65Å; Y615-Y618 HydrophobicContact CE1-CD1 4.13Å; Y615-Y618 AromaticContact CE1-CE1 3.67Å; Y615-Y618 HydrophobicContact CE1-CE1 3.67Å; Y615-Y618 HydrophobicContact CG-CE1 4.3Å | ||
| 619 | A | 87.2 | Confident | 93.3 | Very high | 26 Ų | 26 | 30.7 Ų | 30.7 | 22% | 0.215 | 16% | 0.155 | C | C | . | . | trans | -104.7 | 144.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | E268 I598 | E268-A619 HydrophobicContact CG-CB 3.54Å; E268-A619 VanDerWaalsContact OE1-CB 3.25Å; E268-A619 WeakPolarHBondContact OE1-CB 3.46Å; I598-A619 WeakPolarHBondContact CD1-O 3.39Å | ||
| 620 | D | 88.4 | Confident | 93.1 | Very high | 36 Ų | 36 | 30.7 Ų | 30.7 | 19% | 0.193 | 16% | 0.155 | C | C | . | . | trans | -132.6 | 89.5 | 174.1 | -172.2 | -14.9 | 0 | 0 | 0 | 110.6 | I598 N622 F623 V624 | I598-D620 HydrophobicContact CG2-CB 4.33Å; D620-N622 PolarHBondContact O-N 3.05Å; D620-N622 WeakPolarHBondContact OD1-CA 3.4Å; D620-N622 WeakPolarHBondContact OD1-CB 3.33Å; D620-N622 PolarHBondContact OD1-N 2.72Å; D620-F623 HydrophobicContact CB-CB 3.74Å; D620-F623 WeakPolarHBondContact O-CB 3.47Å; D620-F623 PolarHBondContact O-N 2.96Å; D620-F623 VanDerWaalsContact O-N 3.11Å; D620-F623 PolarHBondContact OD1-N 2.86Å; D620-F623 WeakPolarHBondContact OD2-CB 3.49Å; D620-V624 PolarHBondContact O-N 3.1Å | ||
| 621 | P | 88.1 | Confident | 93 | Very high | 70 Ų | 70 | 30.7 Ų | 30.7 | 46% | 0.455 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -58.6 | -30.7 | 177.8 | -24.6 | 34.3 | 0 | 0 | 0 | 113.1 | V624 R625 | P621-V624 PolarHBondContact O-N 2.71Å; P621-R625 PolarHBondContact O-N 2.75Å; P621-R625 VanDerWaalsContact O-N 3.09Å |
| 622 | N | 89.2 | Confident | 92.7 | Very high | 96 Ų | 96 | 32.8 Ų | 32.8 | 51% | 0.513 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -70 | -38.4 | 177.7 | -69.9 | -40.7 | 0 | 0 | 0 | 111.8 | D620 R625 T626 | D620-N622 PolarHBondContact O-N 3.05Å; D620-N622 WeakPolarHBondContact OD1-CA 3.4Å; D620-N622 WeakPolarHBondContact OD1-CB 3.33Å; D620-N622 PolarHBondContact OD1-N 2.72Å; N622-R625 PolarHBondContact OD1-NH1 3.36Å; N622-R625 PolarHBondContact OD1-NH2 3.04Å; N622-T626 WeakPolarHBondContact O-CB 3.49Å; N622-T626 PolarHBondContact O-N 2.81Å; N622-T626 PolarHBondContact O-OG1 3.12Å |
| 623 | F | 94.5 | Very high | 92.4 | Very high | 15 Ų | 15 | 33.5 Ų | 33.5 | 7% | 0.066 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.3 | -41.2 | 173.3 | -170.1 | -101.4 | 0 | 0 | 0 | 111.6 | I601 L609 L613 D620 T626 F627 F958 | I601-F623 HydrophobicContact CB-CE2 4.5Å; I601-F623 HydrophobicContact CD1-CD2 4.5Å; I601-F623 HydrophobicContact CD1-CE2 3.66Å; I601-F623 HydrophobicContact CD1-CZ 3.67Å; I601-F623 HydrophobicContact CG1-CE2 4.42Å; L609-F623 HydrophobicContact CD2-CZ 4.12Å; L609-F623 WeakPolarHBondContact O-CE1 3.38Å; L613-F623 HydrophobicContact CB-CD1 4.16Å; L613-F623 HydrophobicContact CB-CE1 3.78Å; L613-F623 HydrophobicContact CD1-CD1 3.65Å; L613-F623 HydrophobicContact CD1-CE1 3.89Å; L613-F623 HydrophobicContact CG-CE1 4.45Å; D620-F623 HydrophobicContact CB-CB 3.74Å; D620-F623 WeakPolarHBondContact O-CB 3.47Å; D620-F623 PolarHBondContact O-N 2.96Å; D620-F623 VanDerWaalsContact O-N 3.11Å; D620-F623 PolarHBondContact OD1-N 2.86Å; D620-F623 WeakPolarHBondContact OD2-CB 3.49Å; F623-T626 PolarHBondContact O-N 2.82Å; F623-F627 HydrophobicContact CE1-CD2 4.31Å; F623-F627 HydrophobicContact CZ-CD2 4.34Å; F623-F627 WeakPolarHBondContact O-CB 3.43Å; F623-F627 PolarHBondContact O-N 3.07Å; F623-F958 HydrophobicContact CD2-CD1 4.29Å; F623-F958 AromaticContact CD2-CE1 3.48Å; F623-F958 HydrophobicContact CD2-CE1 3.48Å; F623-F958 VanDerWaalsContact CD2-CE1 3.48Å; F623-F958 AromaticContact CD2-CZ 3.83Å; F623-F958 HydrophobicContact CD2-CZ 3.83Å; F623-F958 AromaticContact CE2-CD1 3.69Å; F623-F958 HydrophobicContact CE2-CD1 3.69Å; F623-F958 AromaticContact CE2-CE1 3.17Å; F623-F958 HydrophobicContact CE2-CE1 3.17Å; F623-F958 HydrophobicContact CE2-CE2 4.1Å; F623-F958 HydrophobicContact CE2-CG 4.34Å; F623-F958 AromaticContact CE2-CZ 3.4Å; F623-F958 HydrophobicContact CE2-CZ 3.4Å; F623-F958 HydrophobicContact CZ-CE1 4.17Å; F623-F958 HydrophobicContact CZ-CE2 4.35Å; F623-F958 AromaticContact CZ-CZ 3.98Å; F623-F958 HydrophobicContact CZ-CZ 3.98Å |
| 624 | V | 94.5 | Very high | 92.2 | Very high | 7 Ų | 7 | 35.1 Ų | 35.1 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.7 | -52.6 | 175 | 176 | 0 | 0 | 0 | 0 | 111.4 | L613 D620 P621 T626 F627 L628 V692 H695 | L613-V624 HydrophobicContact CD1-CB 4.29Å; L613-V624 HydrophobicContact CD1-CG2 3.84Å; D620-V624 PolarHBondContact O-N 3.1Å; P621-V624 PolarHBondContact O-N 2.71Å; V624-T626 PolarHBondContact O-N 2.91Å; V624-F627 PolarHBondContact O-N 3.47Å; V624-L628 HydrophobicContact CG1-CD1 3.91Å; V624-L628 WeakPolarHBondContact O-CB 3.39Å; V624-L628 PolarHBondContact O-N 2.85Å; V624-V692 HydrophobicContact CG1-CG2 4.44Å; V624-V692 HydrophobicContact CG2-CG2 4.38Å; V624-H695 HydrophobicContact CG1-CB 4.21Å |
| 625 | R | 91.8 | Very high | 92.2 | Very high | 79 Ų | 79 | 35.6 Ų | 35.6 | 30% | 0.298 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.2 | -46.8 | 178.4 | -164.5 | -168.8 | -47.7 | 93.6 | 1.5 | 112.1 | E272 P621 N622 T629 | E272-R625 IonicContact OE1-CZ 2.91Å; E272-R625 IonicContact OE1-NH2 3.69Å; E272-R625 PolarHBondContact OE1-NH2 2.93Å; E272-R625 IonicContact OE2-CZ 3.86Å; E272-R625 IonicContact OE2-NE 2.73Å; E272-R625 PolarHBondContact OE2-NE 3.09Å; E272-R625 IonicContact OE2-NH2 3.48Å; E272-R625 PolarHBondContact OE2-NH2 3.13Å; P621-R625 PolarHBondContact O-N 2.75Å; P621-R625 VanDerWaalsContact O-N 3.09Å; N622-R625 PolarHBondContact OD1-NH1 3.36Å; N622-R625 PolarHBondContact OD1-NH2 3.04Å; R625-T629 VanDerWaalsContact O-CB 3.22Å; R625-T629 WeakPolarHBondContact O-CB 3.34Å; R625-T629 PolarHBondContact O-N 2.8Å; R625-T629 PolarHBondContact O-OG1 2.95Å |
| 626 | T | 94 | Very high | 92.1 | Very high | 19 Ų | 19 | 41.5 Ų | 41.5 | 12% | 0.117 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.7 | -45.1 | -179.5 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | N622 F623 V624 T630 F958 R962 A965 | N622-T626 WeakPolarHBondContact O-CB 3.49Å; N622-T626 PolarHBondContact O-N 2.81Å; N622-T626 PolarHBondContact O-OG1 3.12Å; F623-T626 PolarHBondContact O-N 2.82Å; V624-T626 PolarHBondContact O-N 2.91Å; T626-T630 WeakPolarHBondContact O-CB 3.26Å; T626-T630 WeakPolarHBondContact O-CG2 3.48Å; T626-T630 PolarHBondContact O-N 3.16Å; T626-T630 VanDerWaalsContact O-N 3.1Å; T626-T630 PolarHBondContact O-OG1 3.22Å; T626-F958 HydrophobicContact CG2-CE1 3.77Å; T626-F958 HydrophobicContact CG2-CZ 3.67Å; T626-R962 HydrophobicContact CG2-CB 4.3Å; T626-A965 HydrophobicContact CG2-CB 3.83Å |
| 627 | F | 97.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.3 | -55.6 | 180 | -174.5 | -81.6 | 0 | 0 | 0 | 110.4 | L609 I610 L613 F623 V624 T629 T630 Y631 F634 L640 F958 | L609-F627 HydrophobicContact CB-CE2 4.03Å; I610-F627 HydrophobicContact CG1-CE2 4.49Å; I610-F627 HydrophobicContact CG1-CZ 4.04Å; L613-F627 HydrophobicContact CD1-CB 3.93Å; L613-F627 HydrophobicContact CD1-CD1 4.35Å; L613-F627 HydrophobicContact CD1-CG 4.08Å; L613-F627 HydrophobicContact CD2-CD1 3.74Å; L613-F627 HydrophobicContact CD2-CE1 3.86Å; L613-F627 HydrophobicContact CD2-CG 4.1Å; L613-F627 HydrophobicContact CD2-CZ 4.29Å; F623-F627 HydrophobicContact CE1-CD2 4.31Å; F623-F627 HydrophobicContact CZ-CD2 4.34Å; F623-F627 WeakPolarHBondContact O-CB 3.43Å; F623-F627 PolarHBondContact O-N 3.07Å; V624-F627 PolarHBondContact O-N 3.47Å; F627-T629 PolarHBondContact O-N 2.8Å; F627-T630 PolarHBondContact O-N 2.96Å; F627-Y631 HydrophobicContact CE1-CG 4.17Å; F627-Y631 VanDerWaalsContact O-CB 3.28Å; F627-Y631 WeakPolarHBondContact O-CB 3.27Å; F627-Y631 WeakPolarHBondContact O-CD1 3.33Å; F627-Y631 PolarHBondContact O-N 3.45Å; F627-F634 HydrophobicContact CD2-CZ 4.23Å; F627-F634 HydrophobicContact CE2-CE2 4.02Å; F627-F634 AromaticContact CE2-CZ 3.87Å; F627-F634 HydrophobicContact CE2-CZ 3.87Å; F627-F634 HydrophobicContact CZ-CE2 4.31Å; F627-F634 HydrophobicContact CZ-CZ 4.41Å; F627-L640 HydrophobicContact CE1-CD1 3.58Å; F627-L640 HydrophobicContact CE1-CD2 3.93Å; F627-L640 HydrophobicContact CE1-CG 4.43Å; F627-L640 HydrophobicContact CZ-CD1 3.86Å; F627-F958 HydrophobicContact CB-CZ 4.3Å; F627-F958 HydrophobicContact CD2-CE2 4.07Å |
| 628 | L | 95.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.1 | -28.2 | -178.4 | -71.6 | 177.2 | 0 | 0 | 0 | 113.3 | V624 Y631 R632 L640 V692 H695 W696 H700 | V624-L628 HydrophobicContact CG1-CD1 3.91Å; V624-L628 WeakPolarHBondContact O-CB 3.39Å; V624-L628 PolarHBondContact O-N 2.85Å; L628-Y631 WeakPolarHBondContact O-CD1 3.38Å; L628-Y631 WeakPolarHBondContact O-CE1 3.32Å; L628-R632 PolarHBondContact O-NH1 3.44Å; L628-L640 HydrophobicContact CD2-CD2 4.35Å; L628-V692 HydrophobicContact CD1-CG1 4.42Å; L628-V692 HydrophobicContact CD2-CG1 3.98Å; L628-V692 HydrophobicContact CG-CG1 4.45Å; L628-H695 HydrophobicContact CD1-CB 3.56Å; L628-W696 HydrophobicContact CD1-CB 4.23Å; L628-W696 HydrophobicContact CD2-CB 4.04Å; L628-W696 HydrophobicContact CD2-CD2 4.28Å; L628-W696 HydrophobicContact CD2-CG 4Å; L628-H700 WeakPolarHBondContact CB-NE2 3.43Å; L628-H700 PolarHBondContact O-CE1 3.33Å; L628-H700 PolarHBondContact O-ND1 3.45Å |
| 629 | T | 92.7 | Very high | 93.3 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.4 | -40.8 | 172.4 | -62.3 | 0 | 0 | 0 | 0 | 112 | R625 F627 R632 P801 V805 | R625-T629 VanDerWaalsContact O-CB 3.22Å; R625-T629 WeakPolarHBondContact O-CB 3.34Å; R625-T629 PolarHBondContact O-N 2.8Å; R625-T629 PolarHBondContact O-OG1 2.95Å; F627-T629 PolarHBondContact O-N 2.8Å; T629-R632 PolarHBondContact O-NH1 2.96Å; T629-P801 HydrophobicContact CG2-CB 3.6Å; T629-P801 HydrophobicContact CG2-CG 4.47Å; T629-V805 HydrophobicContact CG2-CG2 4.33Å |
| 630 | T | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -115.1 | -9.2 | -162.9 | 65 | 0 | 0 | 0 | 0 | 116.7 | T626 F627 R632 S633 V805 R961 A965 | T626-T630 WeakPolarHBondContact O-CB 3.26Å; T626-T630 WeakPolarHBondContact O-CG2 3.48Å; T626-T630 PolarHBondContact O-N 3.16Å; T626-T630 VanDerWaalsContact O-N 3.1Å; T626-T630 PolarHBondContact O-OG1 3.22Å; F627-T630 PolarHBondContact O-N 2.96Å; T630-R632 PolarHBondContact O-N 3.47Å; T630-R632 VanDerWaalsContact O-N 3.14Å; T630-S633 PolarHBondContact O-N 3.46Å; T630-S633 PolarHBondContact O-OG 2.95Å; T630-V805 HydrophobicContact CG2-CG1 4.33Å; T630-V805 HydrophobicContact CG2-CG2 3.91Å; T630-R961 HydrophobicContact CG2-CB 4.16Å; T630-R961 HydrophobicContact CG2-CG 4.38Å; T630-R961 WeakPolarHBondContact OG1-CB 3.37Å; T630-R961 WeakPolarHBondContact OG1-CG 3.26Å; T630-A965 HydrophobicContact CG2-CB 4.08Å |
| 631 | Y | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -60.9 | -29.5 | -170.6 | 78.3 | -82.4 | 0 | 0 | 0 | 114 | F627 L628 S633 F634 C635 P637 L640 W696 D703 | F627-Y631 HydrophobicContact CE1-CG 4.17Å; F627-Y631 VanDerWaalsContact O-CB 3.28Å; F627-Y631 WeakPolarHBondContact O-CB 3.27Å; F627-Y631 WeakPolarHBondContact O-CD1 3.33Å; F627-Y631 PolarHBondContact O-N 3.45Å; L628-Y631 WeakPolarHBondContact O-CD1 3.38Å; L628-Y631 WeakPolarHBondContact O-CE1 3.32Å; Y631-S633 PolarHBondContact O-N 3.37Å; Y631-F634 PolarHBondContact O-N 3.26Å; Y631-C635 HydrophobicContact CD2-CB 4.19Å; Y631-C635 VanDerWaalsContact CD2-O 3.22Å; Y631-C635 WeakPolarHBondContact CD2-O 3.16Å; Y631-C635 WeakPolarHBondContact CE2-O 3.13Å; Y631-C635 PolarHBondContact O-N 3.37Å; Y631-P637 HydrophobicContact CE2-CG 4.4Å; Y631-L640 HydrophobicContact CD1-CD2 4.15Å; Y631-L640 HydrophobicContact CD2-CB 4.25Å; Y631-L640 HydrophobicContact CD2-CD2 3.7Å; Y631-L640 HydrophobicContact CE1-CD2 4.01Å; Y631-L640 HydrophobicContact CE2-CB 4.01Å; Y631-L640 HydrophobicContact CE2-CD2 3.57Å; Y631-L640 HydrophobicContact CE2-CG 4.43Å; Y631-L640 HydrophobicContact CG-CD2 3.98Å; Y631-W696 VanDerWaalsContact OH-CZ2 3.31Å; Y631-W696 WeakPolarHBondContact OH-CZ2 3.42Å; Y631-D703 PolarHBondContact OH-OD2 3.26Å |
| 632 | R | 92.1 | Very high | 94.8 | Very high | 58 Ų | 58 | 35.6 Ų | 35.6 | 22% | 0.219 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -55.3 | -21.9 | 179.7 | -62.5 | 173.6 | -164.5 | 72.4 | 5.1 | 113.1 | L628 T629 T630 F634 C635 Y702 D703 | L628-R632 PolarHBondContact O-NH1 3.44Å; T629-R632 PolarHBondContact O-NH1 2.96Å; T630-R632 PolarHBondContact O-N 3.47Å; T630-R632 VanDerWaalsContact O-N 3.14Å; R632-F634 VanDerWaalsContact C-N 3.28Å; R632-F634 PolarHBondContact O-N 2.9Å; R632-C635 WeakPolarHBondContact CA-O 3.37Å; R632-Y702 PolarHBondContact NH1-OH 2.8Å; R632-Y702 VanDerWaalsContact NH2-CE2 3.31Å; R632-Y702 PolarHBondContact NH2-OH 3.27Å; R632-D703 IonicContact CZ-OD1 3.95Å; R632-D703 IonicContact CZ-OD2 3.66Å; R632-D703 IonicContact NE-OD1 3.96Å; R632-D703 PolarHBondContact NE-OD1 2.96Å; R632-D703 IonicContact NE-OD2 2.92Å; R632-D703 PolarHBondContact NE-OD2 3.24Å; R632-D703 VanDerWaalsContact NH2-CG 3.32Å; R632-D703 IonicContact NH2-OD1 3.91Å; R632-D703 PolarHBondContact NH2-OD1 3.1Å; R632-D703 IonicContact NH2-OD2 3.03Å; R632-D703 PolarHBondContact NH2-OD2 3.23Å |
| 633 | S | 89.9 | Confident | 95.2 | Very high | 35 Ų | 35 | 31.3 Ų | 31.3 | 25% | 0.245 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -72.7 | -13.7 | 174.7 | 66.3 | 0 | 0 | 0 | 0 | 114.8 | T630 Y631 R961 | T630-S633 PolarHBondContact O-N 3.46Å; T630-S633 PolarHBondContact O-OG 2.95Å; Y631-S633 PolarHBondContact O-N 3.37Å; S633-R961 PolarHBondContact OG-NE 3.43Å; S633-R961 PolarHBondContact OG-NH2 3.01Å |
| 634 | F | 93.5 | Very high | 95.4 | Very high | 43 Ų | 43 | 30.6 Ų | 30.6 | 19% | 0.189 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142.8 | -13.9 | -177.5 | 60.9 | -103.4 | 0 | 0 | 0 | 114.7 | V606 L609 F627 Y631 R632 I956 F958 R961 | V606-F634 HydrophobicContact CG2-CD2 4.32Å; L609-F634 HydrophobicContact CD1-CE2 4.06Å; L609-F634 HydrophobicContact CD1-CZ 4.1Å; F627-F634 HydrophobicContact CD2-CZ 4.23Å; F627-F634 HydrophobicContact CE2-CE2 4.02Å; F627-F634 AromaticContact CE2-CZ 3.87Å; F627-F634 HydrophobicContact CE2-CZ 3.87Å; F627-F634 HydrophobicContact CZ-CE2 4.31Å; F627-F634 HydrophobicContact CZ-CZ 4.41Å; Y631-F634 PolarHBondContact O-N 3.26Å; R632-F634 VanDerWaalsContact C-N 3.28Å; R632-F634 PolarHBondContact O-N 2.9Å; F634-I956 HydrophobicContact CB-CD1 3.98Å; F634-I956 HydrophobicContact CB-CG1 4.16Å; F634-I956 HydrophobicContact CB-CG2 4.11Å; F634-I956 HydrophobicContact CD1-CG2 3.7Å; F634-I956 HydrophobicContact CD2-CD1 3.57Å; F634-I956 HydrophobicContact CD2-CG1 4.5Å; F634-I956 HydrophobicContact CD2-CG2 4.31Å; F634-I956 HydrophobicContact CE1-CG2 4.13Å; F634-I956 HydrophobicContact CE2-CD1 4.25Å; F634-I956 HydrophobicContact CG-CD1 3.91Å; F634-I956 HydrophobicContact CG-CG1 4.37Å; F634-I956 HydrophobicContact CG-CG2 3.79Å; F634-F958 HydrophobicContact CE1-CD2 4.48Å; F634-F958 HydrophobicContact CZ-CE2 4.42Å; F634-R961 HydrophobicContact CD1-CG 4.45Å; F634-R961 HydrophobicContact CE1-CG 4.18Å |
| 635 | C | 95.2 | Very high | 95.5 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 7% | 0.068 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -141.4 | 134.2 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | V606 Y631 R632 | V606-C635 HydrophobicContact CG1-CB 4.38Å; Y631-C635 HydrophobicContact CD2-CB 4.19Å; Y631-C635 VanDerWaalsContact CD2-O 3.22Å; Y631-C635 WeakPolarHBondContact CD2-O 3.16Å; Y631-C635 WeakPolarHBondContact CE2-O 3.13Å; Y631-C635 PolarHBondContact O-N 3.37Å; R632-C635 WeakPolarHBondContact CA-O 3.37Å |
| 636 | K | 94.7 | Very high | 95.8 | Very high | 164 Ų | 164 | 30.5 Ų | 30.5 | 71% | 0.713 | 15% | 0.152 | S | C | * | . | trans | -75.2 | 153 | 178.5 | -66 | -178.2 | -179.6 | 179.8 | 0 | 110.8 | Q638 E639 L640 | K636-Q638 PolarHBondContact O-N 3.49Å; K636-E639 HydrophobicContact CB-CB 4.25Å; K636-E639 PolarHBondContact O-N 3.38Å; K636-E639 VanDerWaalsContact O-N 3.16Å; K636-L640 PolarHBondContact O-N 3.45Å | ||
| 637 | P | 95.5 | Very high | 96 | Very high | 34 Ų | 34 | 29.6 Ų | 29.6 | 22% | 0.221 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -53.3 | -48.2 | 175.1 | -27.5 | 35 | 0 | 0 | 0 | 113.7 | Y631 E639 L640 L641 W696 L710 | Y631-P637 HydrophobicContact CE2-CG 4.4Å; P637-E639 VanDerWaalsContact C-N 3.3Å; P637-E639 PolarHBondContact O-N 3.14Å; P637-L640 PolarHBondContact O-N 3.41Å; P637-L641 PolarHBondContact O-N 3.26Å; P637-W696 HydrophobicContact CB-CZ2 4.14Å; P637-W696 WeakPolarHBondContact O-CH2 3.23Å; P637-L710 HydrophobicContact CB-CD1 4.39Å; P637-L710 HydrophobicContact CB-CD2 3.72Å |
| 638 | Q | 97.3 | Very high | 96 | Very high | 44 Ų | 44 | 30.4 Ų | 30.4 | 21% | 0.206 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.8 | -38 | 177.9 | -71.8 | -70.6 | -9.3 | 0 | 0 | 113.4 | K636 S642 D707 L710 R713 | K636-Q638 PolarHBondContact O-N 3.49Å; Q638-S642 PolarHBondContact O-N 3.44Å; Q638-S642 VanDerWaalsContact O-N 3.16Å; Q638-S642 PolarHBondContact O-OG 3.11Å; Q638-S642 VanDerWaalsContact O-OG 3.11Å; Q638-D707 PolarHBondContact NE2-OD1 3.45Å; Q638-D707 PolarHBondContact NE2-OD2 3.36Å; Q638-L710 HydrophobicContact CG-CD1 4.34Å; Q638-R713 PolarHBondContact O-NH1 3.31Å |
| 639 | E | 97.8 | Very high | 96 | Very high | 95 Ų | 95 | 36.5 Ų | 36.5 | 44% | 0.444 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -71.2 | -41.7 | 178.3 | -176 | 61.9 | -164.4 | 0 | 0 | 111 | K636 P637 L641 S642 L643 | K636-E639 HydrophobicContact CB-CB 4.25Å; K636-E639 PolarHBondContact O-N 3.38Å; K636-E639 VanDerWaalsContact O-N 3.16Å; P637-E639 VanDerWaalsContact C-N 3.3Å; P637-E639 PolarHBondContact O-N 3.14Å; E639-L641 VanDerWaalsContact C-N 3.31Å; E639-L641 PolarHBondContact O-N 3.11Å; E639-S642 PolarHBondContact O-N 2.92Å; E639-L643 HydrophobicContact CG-CD1 3.97Å; E639-L643 HydrophobicContact CG-CG 4.41Å; E639-L643 VanDerWaalsContact O-CG 3.31Å; E639-L643 WeakPolarHBondContact O-CG 3.37Å; E639-L643 PolarHBondContact O-N 3.07Å |
| 640 | L | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.2 | -46 | 175.4 | 177 | 60.4 | 0 | 0 | 0 | 110.8 | I610 F627 L628 Y631 K636 P637 S642 L643 I644 W696 | I610-L640 HydrophobicContact CD1-CD1 3.9Å; I610-L640 HydrophobicContact CG1-CD1 4.31Å; F627-L640 HydrophobicContact CE1-CD1 3.58Å; F627-L640 HydrophobicContact CE1-CD2 3.93Å; F627-L640 HydrophobicContact CE1-CG 4.43Å; F627-L640 HydrophobicContact CZ-CD1 3.86Å; L628-L640 HydrophobicContact CD2-CD2 4.35Å; Y631-L640 HydrophobicContact CD1-CD2 4.15Å; Y631-L640 HydrophobicContact CD2-CB 4.25Å; Y631-L640 HydrophobicContact CD2-CD2 3.7Å; Y631-L640 HydrophobicContact CE1-CD2 4.01Å; Y631-L640 HydrophobicContact CE2-CB 4.01Å; Y631-L640 HydrophobicContact CE2-CD2 3.57Å; Y631-L640 HydrophobicContact CE2-CG 4.43Å; Y631-L640 HydrophobicContact CG-CD2 3.98Å; K636-L640 PolarHBondContact O-N 3.45Å; P637-L640 PolarHBondContact O-N 3.41Å; L640-S642 VanDerWaalsContact C-N 3.34Å; L640-S642 PolarHBondContact O-N 3.05Å; L640-L643 PolarHBondContact O-N 3.2Å; L640-I644 HydrophobicContact CD1-CG2 3.94Å; L640-I644 HydrophobicContact CG-CG2 4.5Å; L640-I644 WeakPolarHBondContact O-CG1 3.3Å; L640-I644 PolarHBondContact O-N 3.35Å; L640-W696 HydrophobicContact CB-CH2 3.96Å; L640-W696 HydrophobicContact CB-CZ3 4.41Å; L640-W696 HydrophobicContact CD2-CD2 4.49Å; L640-W696 HydrophobicContact CD2-CE3 4.21Å; L640-W696 HydrophobicContact CD2-CH2 3.76Å; L640-W696 HydrophobicContact CD2-CZ2 4.04Å; L640-W696 HydrophobicContact CD2-CZ3 3.85Å; L640-W696 HydrophobicContact CG-CH2 3.88Å; L640-W696 HydrophobicContact CG-CZ3 3.88Å |
| 641 | L | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 177.3 | -177.7 | 57.1 | 0 | 0 | 0 | 111.5 | P637 E639 L643 I644 I645 W696 L710 R713 M714 | P637-L641 PolarHBondContact O-N 3.26Å; E639-L641 VanDerWaalsContact C-N 3.31Å; E639-L641 PolarHBondContact O-N 3.11Å; L641-L643 VanDerWaalsContact C-N 3.34Å; L641-L643 PolarHBondContact O-N 3.18Å; L641-I644 HydrophobicContact CD1-CD1 4.03Å; L641-I644 HydrophobicContact CD1-CG1 4.22Å; L641-I644 VanDerWaalsContact O-CG1 3.29Å; L641-I644 WeakPolarHBondContact O-CG1 3.39Å; L641-I644 PolarHBondContact O-N 2.88Å; L641-I645 HydrophobicContact CD1-CD1 3.99Å; L641-I645 HydrophobicContact CD1-CG1 4.25Å; L641-I645 HydrophobicContact CG-CD1 3.92Å; L641-I645 WeakPolarHBondContact O-CD1 3.47Å; L641-I645 WeakPolarHBondContact O-CG1 3.49Å; L641-I645 PolarHBondContact O-N 2.91Å; L641-I645 VanDerWaalsContact O-N 3.07Å; L641-W696 HydrophobicContact CB-CH2 4.09Å; L641-W696 HydrophobicContact CB-CZ3 4.21Å; L641-L710 HydrophobicContact CB-CD1 4.03Å; L641-L710 HydrophobicContact CD2-CD1 3.76Å; L641-R713 HydrophobicContact CD2-CB 3.48Å; L641-R713 VanDerWaalsContact CD2-CB 3.48Å; L641-M714 HydrophobicContact CD1-CE 3.79Å; L641-M714 HydrophobicContact CD1-SD 4.28Å |
| 642 | S | 98.2 | Very high | 95.7 | Very high | 43 Ų | 43 | 43.8 Ų | 43.8 | 30% | 0.301 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 176.1 | -60.6 | 0 | 0 | 0 | 0 | 112.4 | Q638 E639 L640 I645 E646 R713 | Q638-S642 PolarHBondContact O-N 3.44Å; Q638-S642 VanDerWaalsContact O-N 3.16Å; Q638-S642 PolarHBondContact O-OG 3.11Å; Q638-S642 VanDerWaalsContact O-OG 3.11Å; E639-S642 PolarHBondContact O-N 2.92Å; L640-S642 VanDerWaalsContact C-N 3.34Å; L640-S642 PolarHBondContact O-N 3.05Å; S642-I645 PolarHBondContact O-N 2.64Å; S642-E646 PolarHBondContact O-N 3.17Å; S642-R713 PolarHBondContact OG-NH1 3.16Å; S642-R713 PolarHBondContact OG-NH2 3.44Å |
| 643 | L | 98.4 | Very high | 95.5 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.9 | -36 | -178.7 | -68.6 | 170.6 | 0 | 0 | 0 | 113.2 | F577 V606 I607 I610 E639 L640 L641 E646 R647 | F577-L643 WeakPolarHBondContact CZ-O 3.45Å; V606-L643 HydrophobicContact CG1-CD1 3.6Å; I607-L643 HydrophobicContact CD1-CD2 3.78Å; I610-L643 HydrophobicContact CD1-CB 3.37Å; I610-L643 HydrophobicContact CD1-CD1 3.52Å; I610-L643 HydrophobicContact CD1-CG 4.05Å; E639-L643 HydrophobicContact CG-CD1 3.97Å; E639-L643 HydrophobicContact CG-CG 4.41Å; E639-L643 VanDerWaalsContact O-CG 3.31Å; E639-L643 WeakPolarHBondContact O-CG 3.37Å; E639-L643 PolarHBondContact O-N 3.07Å; L640-L643 PolarHBondContact O-N 3.2Å; L641-L643 VanDerWaalsContact C-N 3.34Å; L641-L643 PolarHBondContact O-N 3.18Å; L643-E646 PolarHBondContact O-N 3.36Å; L643-R647 WeakPolarHBondContact O-CB 2.84Å; L643-R647 PolarHBondContact O-N 2.95Å |
| 644 | I | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -74.1 | -30.1 | 175.7 | 65.8 | -177.8 | 0 | 0 | 0 | 112.2 | I610 L640 L641 R647 F648 V689 W696 | I610-I644 HydrophobicContact CG2-CG2 4.31Å; L640-I644 HydrophobicContact CD1-CG2 3.94Å; L640-I644 HydrophobicContact CG-CG2 4.5Å; L640-I644 WeakPolarHBondContact O-CG1 3.3Å; L640-I644 PolarHBondContact O-N 3.35Å; L641-I644 HydrophobicContact CD1-CD1 4.03Å; L641-I644 HydrophobicContact CD1-CG1 4.22Å; L641-I644 VanDerWaalsContact O-CG1 3.29Å; L641-I644 WeakPolarHBondContact O-CG1 3.39Å; L641-I644 PolarHBondContact O-N 2.88Å; I644-R647 WeakPolarHBondContact O-CB 3.42Å; I644-R647 PolarHBondContact O-N 3.4Å; I644-F648 WeakPolarHBondContact O-CB 3.16Å; I644-F648 PolarHBondContact O-N 3.47Å; I644-V689 HydrophobicContact CB-CG1 4.15Å; I644-W696 HydrophobicContact CD1-CE3 4.12Å; I644-W696 HydrophobicContact CD1-CZ3 3.79Å |
| 645 | I | 97.9 | Very high | 94.8 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 15% | 0.154 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.3 | -48.5 | 170 | -68.5 | 168 | 0 | 0 | 0 | 109.5 | L641 S642 R647 F648 E649 F717 | L641-I645 HydrophobicContact CD1-CD1 3.99Å; L641-I645 HydrophobicContact CD1-CG1 4.25Å; L641-I645 HydrophobicContact CG-CD1 3.92Å; L641-I645 WeakPolarHBondContact O-CD1 3.47Å; L641-I645 WeakPolarHBondContact O-CG1 3.49Å; L641-I645 PolarHBondContact O-N 2.91Å; L641-I645 VanDerWaalsContact O-N 3.07Å; S642-I645 PolarHBondContact O-N 2.64Å; I645-R647 VanDerWaalsContact C-N 3.26Å; I645-R647 PolarHBondContact O-N 3.24Å; I645-F648 WeakPolarHBondContact O-CB 3.31Å; I645-F648 PolarHBondContact O-N 3.13Å; I645-E649 HydrophobicContact CG2-CG 4.49Å; I645-E649 PolarHBondContact O-N 3.13Å; I645-F717 HydrophobicContact CD1-CB 4.15Å; I645-F717 HydrophobicContact CD1-CD2 4.26Å; I645-F717 HydrophobicContact CD1-CG 4.16Å; I645-F717 HydrophobicContact CG1-CB 4.39Å; I645-F717 HydrophobicContact CG1-CD1 4.25Å; I645-F717 HydrophobicContact CG1-CD2 3.69Å; I645-F717 HydrophobicContact CG1-CE1 4.49Å; I645-F717 HydrophobicContact CG1-CE2 3.96Å; I645-F717 HydrophobicContact CG1-CG 3.84Å; I645-F717 HydrophobicContact CG1-CZ 4.35Å; I645-F717 HydrophobicContact CG2-CD2 4.4Å; I645-F717 HydrophobicContact CG2-CE2 4.46Å |
| 646 | E | 97.7 | Very high | 94.2 | Very high | 53 Ų | 53 | 50.3 Ų | 50.3 | 25% | 0.248 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.8 | -39.5 | 174.6 | -174 | -169.7 | 155.6 | 0 | 0 | 111.8 | Y575 R576 F577 S642 L643 F648 E649 | Y575-E646 WeakPolarHBondContact CE2-O 3.32Å; R576-E646 IonicContact CZ-OE1 3.26Å; R576-E646 IonicContact CZ-OE2 3.77Å; R576-E646 IonicContact NE-OE1 3.41Å; R576-E646 PolarHBondContact NE-OE1 3.28Å; R576-E646 IonicContact NE-OE2 2.85Å; R576-E646 IonicContact NH2-OE1 2.71Å; R576-E646 PolarHBondContact NH2-OE1 3.16Å; R576-E646 IonicContact NH2-OE2 2.59Å; R576-E646 PolarHBondContact NH2-OE2 3.38Å; F577-E646 HydrophobicContact CE2-CB 4.13Å; F577-E646 HydrophobicContact CE2-CG 3.88Å; S642-E646 PolarHBondContact O-N 3.17Å; L643-E646 PolarHBondContact O-N 3.36Å; E646-F648 VanDerWaalsContact C-N 3.27Å; E646-F648 PolarHBondContact O-N 3.32Å; E646-E649 PolarHBondContact O-N 3.33Å |
| 647 | R | 97.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.8 | -35.4 | 175.7 | -177.6 | 70.2 | -174.1 | 154.8 | -8.5 | 111.9 | Y575 F577 I610 T614 L643 I644 I645 I650 Y681 V685 V689 | Y575-R647 VanDerWaalsContact OH-CD 3.26Å; Y575-R647 WeakPolarHBondContact OH-CD 3.43Å; Y575-R647 PolarHBondContact OH-NH1 3.49Å; Y575-R647 PolarHBondContact OH-O 3.03Å; F577-R647 HydrophobicContact CD2-CB 4.29Å; F577-R647 HydrophobicContact CE1-CB 4.45Å; F577-R647 HydrophobicContact CE2-CB 3.81Å; F577-R647 HydrophobicContact CZ-CB 3.91Å; I610-R647 HydrophobicContact CG2-CB 4.25Å; I610-R647 HydrophobicContact CG2-CG 4.28Å; T614-R647 PolarHBondContact O-NH2 3.34Å; T614-R647 WeakPolarHBondContact OG1-CG 3.4Å; T614-R647 PolarHBondContact OG1-NE 3.3Å; L643-R647 WeakPolarHBondContact O-CB 2.84Å; L643-R647 PolarHBondContact O-N 2.95Å; I644-R647 WeakPolarHBondContact O-CB 3.42Å; I644-R647 PolarHBondContact O-N 3.4Å; I645-R647 VanDerWaalsContact C-N 3.26Å; I645-R647 PolarHBondContact O-N 3.24Å; R647-I650 WeakPolarHBondContact O-CG1 3.4Å; R647-Y681 PolarHBondContact NH1-OH 3.4Å; R647-V685 HydrophobicContact CG-CG1 3.9Å; R647-V689 HydrophobicContact CB-CG2 4.2Å; R647-V689 HydrophobicContact CG-CG2 3.82Å |
| 648 | F | 96.9 | Very high | 92.8 | Very high | 18 Ų | 18 | 50.4 Ų | 50.4 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -73.6 | -37.9 | -179.6 | -169.4 | -88.7 | 0 | 0 | 0 | 113 | I644 I645 E646 I650 Q686 V689 L690 F717 V721 | I644-F648 WeakPolarHBondContact O-CB 3.16Å; I644-F648 PolarHBondContact O-N 3.47Å; I645-F648 WeakPolarHBondContact O-CB 3.31Å; I645-F648 PolarHBondContact O-N 3.13Å; E646-F648 VanDerWaalsContact C-N 3.27Å; E646-F648 PolarHBondContact O-N 3.32Å; F648-I650 VanDerWaalsContact C-N 3.27Å; F648-I650 PolarHBondContact O-N 2.93Å; F648-Q686 HydrophobicContact CD1-CG 4.39Å; F648-Q686 HydrophobicContact CD2-CB 3.86Å; F648-Q686 HydrophobicContact CD2-CG 3.68Å; F648-Q686 HydrophobicContact CE1-CG 4.27Å; F648-Q686 HydrophobicContact CE2-CB 3.45Å; F648-Q686 VanDerWaalsContact CE2-CB 3.45Å; F648-Q686 HydrophobicContact CE2-CG 3.55Å; F648-Q686 HydrophobicContact CG-CG 4.09Å; F648-Q686 HydrophobicContact CZ-CB 4.03Å; F648-Q686 HydrophobicContact CZ-CG 3.84Å; F648-Q686 PolarHBondContact O-NE2 3.06Å; F648-V689 HydrophobicContact CB-CG1 4.19Å; F648-V689 HydrophobicContact CD2-CB 4.01Å; F648-V689 HydrophobicContact CD2-CG1 3.87Å; F648-V689 HydrophobicContact CG-CG1 4.49Å; F648-L690 HydrophobicContact CE2-CD1 4.46Å; F648-L690 HydrophobicContact CE2-CD2 4.21Å; F648-L690 HydrophobicContact CE2-CG 4.09Å; F648-F717 HydrophobicContact CB-CE2 4.26Å; F648-F717 HydrophobicContact CB-CZ 4.03Å; F648-F717 AromaticContact CD1-CE2 3.96Å; F648-F717 HydrophobicContact CD1-CE2 3.96Å; F648-F717 HydrophobicContact CD1-CZ 4.12Å; F648-F717 AromaticContact CD2-CZ 3.94Å; F648-F717 HydrophobicContact CD2-CZ 3.94Å; F648-F717 HydrophobicContact CE2-CZ 4.47Å; F648-F717 HydrophobicContact CG-CE2 4.02Å; F648-F717 AromaticContact CG-CZ 3.76Å; F648-F717 HydrophobicContact CG-CZ 3.76Å; F648-V721 HydrophobicContact CE1-CG1 4.19Å; F648-V721 HydrophobicContact CE1-CG2 3.91Å; F648-V721 HydrophobicContact CE2-CG2 4.47Å; F648-V721 HydrophobicContact CZ-CB 4.36Å; F648-V721 HydrophobicContact CZ-CG1 3.62Å; F648-V721 HydrophobicContact CZ-CG2 3.8Å |
| 649 | E | 95.5 | Very high | 92.2 | Very high | 128 Ų | 128 | 48.8 Ų | 48.8 | 60% | 0.598 | 26% | 0.261 | S | S | * | . | trans | -81 | 64.9 | -177.6 | -66.7 | -177.5 | 171 | 0 | 0 | 112.1 | I645 E646 P651 | I645-E649 HydrophobicContact CG2-CG 4.49Å; I645-E649 PolarHBondContact O-N 3.13Å; E646-E649 PolarHBondContact O-N 3.33Å; E649-P651 WeakPolarHBondContact O-CD 3.4Å | ||
| 650 | I | 95 | Very high | 91.6 | Very high | 16 Ų | 16 | 49.8 Ų | 49.8 | 8% | 0.082 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -76 | 123.3 | -179.7 | -57.8 | 162.5 | 0 | 0 | 0 | 109.9 | P570 Y575 R647 F648 F677 Y681 I682 V685 | P570-I650 HydrophobicContact CG-CG2 4.08Å; Y575-I650 HydrophobicContact CE2-CB 4.47Å; Y575-I650 HydrophobicContact CE2-CG1 3.86Å; Y575-I650 WeakPolarHBondContact OH-CG1 3.29Å; R647-I650 WeakPolarHBondContact O-CG1 3.4Å; F648-I650 VanDerWaalsContact C-N 3.27Å; F648-I650 PolarHBondContact O-N 2.93Å; I650-F677 HydrophobicContact CG2-CE1 3.9Å; I650-F677 HydrophobicContact CG2-CZ 3.91Å; I650-Y681 HydrophobicContact CD1-CD1 4.04Å; I650-Y681 HydrophobicContact CD1-CE1 3.92Å; I650-Y681 HydrophobicContact CG1-CE1 4.48Å; I650-Y681 HydrophobicContact CG2-CD1 4.32Å; I650-Y681 HydrophobicContact CG2-CE1 4.14Å; I650-I682 HydrophobicContact CB-CG1 4.29Å; I650-I682 HydrophobicContact CD1-CB 4.36Å; I650-I682 HydrophobicContact CD1-CG1 4.21Å; I650-I682 HydrophobicContact CD1-CG2 4.38Å; I650-I682 HydrophobicContact CG2-CD1 4.48Å; I650-I682 HydrophobicContact CG2-CG1 4.13Å; I650-V685 HydrophobicContact CD1-CB 3.84Å; I650-V685 HydrophobicContact CD1-CG1 3.81Å; I650-V685 HydrophobicContact CD1-CG2 4.37Å |
| 651 | P | 92.9 | Very high | 91 | Very high | 49 Ų | 49 | 53.5 Ų | 53.5 | 32% | 0.318 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 134.9 | 174 | 27.7 | -32.6 | 0 | 0 | 0 | 110.6 | P570 V574 E649 | P570-P651 HydrophobicContact CB-CG 4.13Å; V574-P651 HydrophobicContact CG2-CG 3.91Å; E649-P651 WeakPolarHBondContact O-CD 3.4Å |
| 652 | E | 89.9 | Confident | 90.3 | Very high | 93 Ų | 93 | 54.4 Ų | 54.4 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 146.2 | 176.8 | -64.4 | -169.7 | 157.6 | 0 | 0 | 111.1 | L674 R678 I682 | E652-L674 HydrophobicContact CB-CD1 3.86Å; E652-L674 HydrophobicContact CG-CD1 4.19Å; E652-R678 IonicContact OE1-CZ 3.93Å; E652-R678 IonicContact OE1-NE 3.32Å; E652-R678 PolarHBondContact OE1-NE 3.46Å; E652-R678 IonicContact OE1-NH2 3.48Å; E652-R678 PolarHBondContact OE1-NH2 2.72Å; E652-R678 IonicContact OE2-CZ 3.48Å; E652-R678 IonicContact OE2-NE 2.7Å; E652-R678 IonicContact OE2-NH2 3.63Å; E652-R678 PolarHBondContact OE2-NH2 3.19Å; E652-I682 HydrophobicContact CG-CD1 4.16Å |
| 653 | P | 86.2 | Confident | 89.7 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 27% | 0.266 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 141.4 | 174.6 | 25.8 | -33.8 | 0 | 0 | 0 | 111.1 | L674 F677 | P653-L674 HydrophobicContact CG-CD1 3.89Å; P653-F677 VanDerWaalsContact CD-CD1 3.45Å; P653-F677 HydrophobicContact CG-CB 4.4Å; P653-F677 HydrophobicContact CG-CD1 4.09Å; P653-F677 HydrophobicContact CG-CG 4.31Å |
| 654 | E | 84.9 | Confident | 89.1 | Confident | 146 Ų | 146 | 64 Ų | 64 | 68% | 0.682 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 146.4 | 172.9 | -68.3 | -65.1 | 149.8 | 0 | 0 | 111.1 | T656 | E654-T656 PolarHBondContact O-N 3Š|
| 655 | P | 84.5 | Confident | 88.5 | Confident | 57 Ų | 57 | 69.3 Ų | 69.3 | 37% | 0.37 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 135.2 | 176.5 | -25.9 | 34 | 0 | 0 | 0 | 111.9 | D659 R660 | P655-D659 HydrophobicContact CB-CB 3.91Å; P655-R660 HydrophobicContact CB-CG 4.31Å |
| 656 | T | 83 | Confident | 87.7 | Confident | 39 Ų | 39 | 71.2 Ų | 71.2 | 24% | 0.239 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -65 | 164.3 | 178.3 | 66.6 | 0 | 0 | 0 | 0 | 110.8 | E654 A658 D659 R660 E673 | E654-T656 PolarHBondContact O-N 3Å; T656-A658 PolarHBondContact O-N 3.49Å; T656-D659 PolarHBondContact N-OD2 2.92Å; T656-D659 VanDerWaalsContact N-OD2 3.17Å; T656-D659 WeakPolarHBondContact O-CB 3.49Å; T656-D659 PolarHBondContact O-N 3.17Å; T656-D659 PolarHBondContact OG1-N 3.34Å; T656-D659 PolarHBondContact OG1-OD2 3.42Å; T656-R660 PolarHBondContact O-N 2.73Å; T656-E673 HydrophobicContact CG2-CB 4.39Å; T656-E673 VanDerWaalsContact CG2-OE2 3.28Å; T656-E673 WeakPolarHBondContact CG2-OE2 3.45Å |
| 657 | E | 81.4 | Confident | 86.9 | Confident | 130 Ų | 130 | 73.7 Ų | 73.7 | 61% | 0.607 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -56.5 | -37.6 | 175.7 | -171.9 | 62.9 | -169.1 | 0 | 0 | 111.8 | R660 I661 | E657-R660 PolarHBondContact O-N 2.94Å; E657-I661 HydrophobicContact CG-CD1 4.11Å; E657-I661 VanDerWaalsContact O-CG1 3.26Å; E657-I661 WeakPolarHBondContact O-CG1 3.45Å; E657-I661 PolarHBondContact O-N 3.46Å |
| 658 | A | 80.1 | Confident | 85.9 | Confident | 70 Ų | 70 | 82.4 Ų | 82.4 | 58% | 0.579 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.7 | -40.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T656 A662 | T656-A658 PolarHBondContact O-N 3.49Å; A658-A662 WeakPolarHBondContact O-CB 3.19Å; A658-A662 PolarHBondContact O-N 3.15Å |
| 659 | D | 84.3 | Confident | 85 | Confident | 10 Ų | 10 | 83.1 Ų | 83.1 | 5% | 0.053 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -67.5 | -39 | 175.5 | -62.2 | -48 | 0 | 0 | 0 | 111.3 | P655 T656 A662 I663 P669 S671 | P655-D659 HydrophobicContact CB-CB 3.91Å; T656-D659 PolarHBondContact N-OD2 2.92Å; T656-D659 VanDerWaalsContact N-OD2 3.17Å; T656-D659 WeakPolarHBondContact O-CB 3.49Å; T656-D659 PolarHBondContact O-N 3.17Å; T656-D659 PolarHBondContact OG1-N 3.34Å; T656-D659 PolarHBondContact OG1-OD2 3.42Å; D659-A662 PolarHBondContact O-N 3.2Å; D659-I663 WeakPolarHBondContact O-CB 3.49Å; D659-I663 WeakPolarHBondContact O-CD1 3.2Å; D659-I663 WeakPolarHBondContact O-CG1 3.42Å; D659-I663 PolarHBondContact O-N 3.39Å; D659-P669 HydrophobicContact CB-CB 3.69Å; D659-P669 WeakPolarHBondContact OD1-CB 3.28Å; D659-S671 WeakPolarHBondContact OD1-CA 3.49Å; D659-S671 PolarHBondContact OD1-N 2.9Å |
| 660 | R | 84.8 | Confident | 84 | Confident | 116 Ų | 116 | 83.6 Ų | 83.6 | 44% | 0.438 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 175.3 | -74.4 | -174.5 | 167.3 | 161.6 | 0.2 | 111.8 | P655 T656 E657 A662 I663 E664 | P655-R660 HydrophobicContact CB-CG 4.31Å; T656-R660 PolarHBondContact O-N 2.73Å; E657-R660 PolarHBondContact O-N 2.94Å; R660-A662 VanDerWaalsContact C-N 3.31Å; R660-A662 PolarHBondContact O-N 3.29Å; R660-I663 PolarHBondContact O-N 2.88Å; R660-E664 WeakPolarHBondContact O-CB 3.43Å; R660-E664 WeakPolarHBondContact O-CG 3.48Å; R660-E664 PolarHBondContact O-N 3.4Å |
| 661 | I | 84.6 | Confident | 83.2 | Confident | 79 Ų | 79 | 84 Ų | 84 | 41% | 0.405 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 176.1 | -67.7 | 165.1 | 0 | 0 | 0 | 110.7 | E657 E664 N665 | E657-I661 HydrophobicContact CG-CD1 4.11Å; E657-I661 VanDerWaalsContact O-CG1 3.26Å; E657-I661 WeakPolarHBondContact O-CG1 3.45Å; E657-I661 PolarHBondContact O-N 3.46Å; I661-E664 PolarHBondContact O-N 2.81Å; I661-N665 WeakPolarHBondContact CG2-ND2 3.46Å; I661-N665 WeakPolarHBondContact O-CB 3.27Å; I661-N665 VanDerWaalsContact O-CG 3.26Å; I661-N665 PolarHBondContact O-N 2.93Å; I661-N665 PolarHBondContact O-ND2 3.36Å; I661-N665 VanDerWaalsContact O-ND2 3.07Å |
| 662 | A | 83.9 | Confident | 82.4 | Confident | 18 Ų | 18 | 84.8 Ų | 84.8 | 15% | 0.149 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A658 D659 R660 E664 N665 G666 D667 P669 | A658-A662 WeakPolarHBondContact O-CB 3.19Å; A658-A662 PolarHBondContact O-N 3.15Å; D659-A662 PolarHBondContact O-N 3.2Å; R660-A662 VanDerWaalsContact C-N 3.31Å; R660-A662 PolarHBondContact O-N 3.29Å; A662-E664 VanDerWaalsContact C-N 3.34Å; A662-E664 PolarHBondContact O-N 2.84Å; A662-N665 CarbonylContact O-C 3.59Å; A662-N665 PolarHBondContact O-N 2.84Å; A662-G666 PolarHBondContact O-N 3.25Å; A662-G666 VanDerWaalsContact O-N 3.13Å; A662-D667 CarbonylContact C-O 3.6Å; A662-D667 VanDerWaalsContact C-O 3.28Å; A662-D667 HydrophobicContact CB-CB 4.25Å; A662-D667 WeakPolarHBondContact O-CA 3.29Å; A662-D667 PolarHBondContact O-N 3.34Å; A662-P669 HydrophobicContact CB-CB 4.36Å |
| 663 | I | 86.3 | Confident | 81.8 | Confident | 93 Ų | 93 | 83.1 Ų | 83.1 | 48% | 0.477 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 177.6 | -67.5 | 161.5 | 0 | 0 | 0 | 111.1 | D659 R660 N665 G666 P669 | D659-I663 WeakPolarHBondContact O-CB 3.49Å; D659-I663 WeakPolarHBondContact O-CD1 3.2Å; D659-I663 WeakPolarHBondContact O-CG1 3.42Å; D659-I663 PolarHBondContact O-N 3.39Å; R660-I663 PolarHBondContact O-N 2.88Å; I663-N665 VanDerWaalsContact C-N 3.32Å; I663-N665 PolarHBondContact O-N 3.4Å; I663-G666 PolarHBondContact O-N 3.05Å; I663-G666 VanDerWaalsContact O-N 3.13Å; I663-P669 HydrophobicContact CD1-CB 4.49Å; I663-P669 HydrophobicContact CD1-CG 4.11Å; I663-P669 HydrophobicContact CG1-CB 4.24Å; I663-P669 HydrophobicContact CG1-CG 3.81Å |
| 664 | E | 86.5 | Confident | 81.7 | Confident | 158 Ų | 158 | 82.6 Ų | 82.6 | 74% | 0.738 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.8 | -34.7 | 177.8 | -75.2 | 178.1 | -177.6 | 0 | 0 | 112.6 | R660 I661 A662 G666 | R660-E664 WeakPolarHBondContact O-CB 3.43Å; R660-E664 WeakPolarHBondContact O-CG 3.48Å; R660-E664 PolarHBondContact O-N 3.4Å; I661-E664 PolarHBondContact O-N 2.81Å; A662-E664 VanDerWaalsContact C-N 3.34Å; A662-E664 PolarHBondContact O-N 2.84Å; E664-G666 PolarHBondContact O-N 3.38Å |
| 665 | N | 85.2 | Confident | 81.7 | Confident | 112 Ų | 112 | 81.6 Ų | 81.6 | 60% | 0.599 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -4.5 | 175.1 | -69.7 | -33.8 | 0 | 0 | 0 | 113.6 | I661 A662 I663 D667 | I661-N665 WeakPolarHBondContact CG2-ND2 3.46Å; I661-N665 WeakPolarHBondContact O-CB 3.27Å; I661-N665 VanDerWaalsContact O-CG 3.26Å; I661-N665 PolarHBondContact O-N 2.93Å; I661-N665 PolarHBondContact O-ND2 3.36Å; I661-N665 VanDerWaalsContact O-ND2 3.07Å; A662-N665 CarbonylContact O-C 3.59Å; A662-N665 PolarHBondContact O-N 2.84Å; I663-N665 VanDerWaalsContact C-N 3.32Å; I663-N665 PolarHBondContact O-N 3.4Å; N665-D667 PolarHBondContact O-N 3.09Å |
| 666 | G | 81 | Confident | 81.5 | Confident | 70 Ų | 70 | 81.1 Ų | 81.1 | 72% | 0.722 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 10.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A662 I663 E664 | A662-G666 PolarHBondContact O-N 3.25Å; A662-G666 VanDerWaalsContact O-N 3.13Å; I663-G666 PolarHBondContact O-N 3.05Å; I663-G666 VanDerWaalsContact O-N 3.13Å; E664-G666 PolarHBondContact O-N 3.38Å |
| 667 | D | 80.4 | Confident | 81.7 | Confident | 104 Ų | 104 | 79.5 Ų | 79.5 | 56% | 0.556 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -84.5 | 148.4 | 173.5 | -67.1 | -41.1 | 0 | 0 | 0 | 110.2 | A662 N665 P669 | A662-D667 CarbonylContact C-O 3.6Å; A662-D667 VanDerWaalsContact C-O 3.28Å; A662-D667 HydrophobicContact CB-CB 4.25Å; A662-D667 WeakPolarHBondContact O-CA 3.29Å; A662-D667 PolarHBondContact O-N 3.34Å; N665-D667 PolarHBondContact O-N 3.09Å; D667-P669 WeakPolarHBondContact O-CD 3.42Å |
| 668 | Q | 77.2 | Confident | 82 | Confident | 184 Ų | 184 | 78 Ų | 78 | 86% | 0.86 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 122.1 | 177 | -170.9 | 149.7 | 33.7 | 0 | 0 | 109.8 | ||
| 669 | P | 78.4 | Confident | 82.2 | Confident | 33 Ų | 33 | 79.5 Ų | 79.5 | 21% | 0.214 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 141.5 | 179.3 | 25.8 | -35.4 | 0 | 0 | 0 | 110.6 | D659 A662 I663 D667 S671 | D659-P669 HydrophobicContact CB-CB 3.69Å; D659-P669 WeakPolarHBondContact OD1-CB 3.28Å; A662-P669 HydrophobicContact CB-CB 4.36Å; I663-P669 HydrophobicContact CD1-CB 4.49Å; I663-P669 HydrophobicContact CD1-CG 4.11Å; I663-P669 HydrophobicContact CG1-CB 4.24Å; I663-P669 HydrophobicContact CG1-CG 3.81Å; D667-P669 WeakPolarHBondContact O-CD 3.42Å; P669-S671 PolarHBondContact O-N 3.48Å |
| 670 | L | 72.6 | Confident | 82.3 | Confident | 138 Ų | 138 | 82.6 Ų | 82.6 | 72% | 0.723 | 43% | 0.425 | S | S | * | . | trans | -65.4 | -34.4 | 176.4 | -73.4 | 164.8 | 0 | 0 | 0 | 110.5 | A672 K675 | L670-A672 PolarHBondContact O-N 3.03Å; L670-A672 VanDerWaalsContact O-N 3.16Å; L670-K675 WeakPolarHBondContact O-CE 3.28Å; L670-K675 PolarHBondContact O-NZ 3.47Å | ||
| 671 | S | 79.2 | Confident | 82.6 | Confident | 25 Ų | 25 | 77.3 Ų | 77.3 | 18% | 0.175 | 41% | 0.405 | C | S | . | . | trans | 47.9 | 38.3 | -178.8 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | D659 P669 L674 K675 | D659-S671 WeakPolarHBondContact OD1-CA 3.49Å; D659-S671 PolarHBondContact OD1-N 2.9Å; P669-S671 PolarHBondContact O-N 3.48Å; S671-L674 PolarHBondContact O-N 3.35Å; S671-K675 WeakPolarHBondContact O-CG 3.46Å; S671-K675 PolarHBondContact O-N 3.29Å | ||
| 672 | A | 76.6 | Confident | 83 | Confident | 65 Ų | 65 | 74.1 Ų | 74.1 | 54% | 0.537 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L670 L674 K675 R676 | L670-A672 PolarHBondContact O-N 3.03Å; L670-A672 VanDerWaalsContact O-N 3.16Å; A672-L674 VanDerWaalsContact C-N 3.34Å; A672-L674 PolarHBondContact O-N 3.44Å; A672-K675 PolarHBondContact O-N 3.2Å; A672-R676 WeakPolarHBondContact O-CB 3.42Å; A672-R676 PolarHBondContact O-N 3.37Å |
| 673 | E | 77.5 | Confident | 83.2 | Confident | 57 Ų | 57 | 76.8 Ų | 76.8 | 27% | 0.266 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 176.2 | -173.4 | 172.1 | -179.1 | 0 | 0 | 111.3 | R568 T656 R676 F677 | R568-E673 WeakPolarHBondContact CD-OE1 3.27Å; R568-E673 IonicContact NE-OE1 3.32Å; T656-E673 HydrophobicContact CG2-CB 4.39Å; T656-E673 VanDerWaalsContact CG2-OE2 3.28Å; T656-E673 WeakPolarHBondContact CG2-OE2 3.45Å; E673-R676 PolarHBondContact O-N 2.96Å; E673-F677 WeakPolarHBondContact O-CB 3.35Å; E673-F677 PolarHBondContact O-N 3.37Å |
| 674 | L | 83.8 | Confident | 83.5 | Confident | 30 Ų | 30 | 73.2 Ų | 73.2 | 16% | 0.157 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 177.3 | 176.9 | 62.5 | 0 | 0 | 0 | 112.4 | E652 P653 S671 A672 R676 F677 R678 | E652-L674 HydrophobicContact CB-CD1 3.86Å; E652-L674 HydrophobicContact CG-CD1 4.19Å; P653-L674 HydrophobicContact CG-CD1 3.89Å; S671-L674 PolarHBondContact O-N 3.35Å; A672-L674 VanDerWaalsContact C-N 3.34Å; A672-L674 PolarHBondContact O-N 3.44Å; L674-R676 VanDerWaalsContact C-N 3.32Å; L674-R676 PolarHBondContact O-N 3.35Å; L674-F677 PolarHBondContact O-N 3.1Å; L674-R678 HydrophobicContact CD1-CG 4.36Å; L674-R678 WeakPolarHBondContact O-CB 3.49Å; L674-R678 VanDerWaalsContact O-CG 3.32Å; L674-R678 WeakPolarHBondContact O-CG 3.44Å; L674-R678 PolarHBondContact O-N 2.68Å |
| 675 | K | 83.4 | Confident | 83.9 | Confident | 126 Ų | 126 | 65.7 Ų | 65.7 | 55% | 0.548 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 177.3 | -76.1 | 170.8 | -179.6 | 160.4 | 0 | 111.1 | L670 S671 A672 K679 | L670-K675 WeakPolarHBondContact O-CE 3.28Å; L670-K675 PolarHBondContact O-NZ 3.47Å; S671-K675 WeakPolarHBondContact O-CG 3.46Å; S671-K675 PolarHBondContact O-N 3.29Å; A672-K675 PolarHBondContact O-N 3.2Å; K675-K679 WeakPolarHBondContact O-CB 3.42Å; K675-K679 PolarHBondContact O-N 2.96Å; K675-K679 VanDerWaalsContact O-N 3.09Å |
| 676 | R | 81.7 | Confident | 84.4 | Confident | 47 Ų | 47 | 62 Ų | 62 | 18% | 0.177 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.8 | -47.5 | 177.2 | -169.9 | 177.2 | 173.2 | 176.2 | -9 | 111.7 | E565 M567 A672 E673 L674 R678 K679 E680 | E565-R676 PolarHBondContact O-NH1 2.86Å; E565-R676 IonicContact OE2-CZ 2.62Å; E565-R676 IonicContact OE2-NH1 3.98Å; E565-R676 PolarHBondContact OE2-NH1 3.12Å; M567-R676 HydrophobicContact CG-CG 4.26Å; M567-R676 HydrophobicContact SD-CG 3.98Å; A672-R676 WeakPolarHBondContact O-CB 3.42Å; A672-R676 PolarHBondContact O-N 3.37Å; E673-R676 PolarHBondContact O-N 2.96Å; L674-R676 VanDerWaalsContact C-N 3.32Å; L674-R676 PolarHBondContact O-N 3.35Å; R676-R678 VanDerWaalsContact C-N 3.3Å; R676-R678 PolarHBondContact O-N 3.29Å; R676-K679 PolarHBondContact O-N 2.97Å; R676-E680 HydrophobicContact CG-CG 4.33Å; R676-E680 WeakPolarHBondContact CG-OE1 3.42Å; R676-E680 IonicContact CZ-OE1 3.96Å; R676-E680 IonicContact CZ-OE2 3.45Å; R676-E680 VanDerWaalsContact NE-CD 3.25Å; R676-E680 IonicContact NE-OE1 2.88Å; R676-E680 PolarHBondContact NE-OE1 2.93Å; R676-E680 IonicContact NE-OE2 3.53Å; R676-E680 PolarHBondContact NE-OE2 3.43Å; R676-E680 IonicContact NH2-OE1 3.12Å; R676-E680 IonicContact NH2-OE2 3.1Å; R676-E680 PolarHBondContact NH2-OE2 2.93Å; R676-E680 PolarHBondContact O-N 3.19Å |
| 677 | F | 87.1 | Confident | 85 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.4 | -41.5 | 176 | -175.8 | -103.7 | 0 | 0 | 0 | 112.2 | P570 I650 P653 E673 L674 K679 Y681 I682 | P570-F677 HydrophobicContact CG-CE1 4.5Å; P570-F677 HydrophobicContact CG-CE2 4.4Å; P570-F677 HydrophobicContact CG-CZ 3.67Å; I650-F677 HydrophobicContact CG2-CE1 3.9Å; I650-F677 HydrophobicContact CG2-CZ 3.91Å; P653-F677 VanDerWaalsContact CD-CD1 3.45Å; P653-F677 HydrophobicContact CG-CB 4.4Å; P653-F677 HydrophobicContact CG-CD1 4.09Å; P653-F677 HydrophobicContact CG-CG 4.31Å; E673-F677 WeakPolarHBondContact O-CB 3.35Å; E673-F677 PolarHBondContact O-N 3.37Å; L674-F677 PolarHBondContact O-N 3.1Å; F677-K679 VanDerWaalsContact C-N 3.34Å; F677-K679 PolarHBondContact O-N 2.7Å; F677-Y681 HydrophobicContact CD2-CG 4.32Å; F677-Y681 HydrophobicContact CE1-CD1 4.35Å; F677-Y681 AromaticContact CE2-CD1 3.66Å; F677-Y681 HydrophobicContact CE2-CD1 3.66Å; F677-Y681 HydrophobicContact CE2-CD2 4.42Å; F677-Y681 HydrophobicContact CE2-CE1 4.35Å; F677-Y681 AromaticContact CE2-CG 3.7Å; F677-Y681 HydrophobicContact CE2-CG 3.7Å; F677-Y681 AromaticContact CZ-CD1 3.52Å; F677-Y681 HydrophobicContact CZ-CD1 3.52Å; F677-Y681 HydrophobicContact CZ-CE1 4.07Å; F677-Y681 HydrophobicContact CZ-CG 4.07Å; F677-Y681 WeakPolarHBondContact O-CA 3.31Å; F677-Y681 VanDerWaalsContact O-CB 3.31Å; F677-Y681 WeakPolarHBondContact O-CB 3.32Å; F677-Y681 PolarHBondContact O-N 2.73Å; F677-I682 HydrophobicContact CD1-CD1 3.8Å; F677-I682 HydrophobicContact CD1-CG1 3.89Å; F677-I682 HydrophobicContact CE1-CD1 3.75Å; F677-I682 HydrophobicContact CE1-CG1 3.68Å; F677-I682 HydrophobicContact CZ-CG1 4.47Å; F677-I682 PolarHBondContact O-N 3Å |
| 678 | R | 87.4 | Confident | 85.7 | Confident | 98 Ų | 98 | 54.8 Ų | 54.8 | 37% | 0.37 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -59.1 | -43.8 | 173.1 | -78.9 | 171.4 | 174.6 | 167.7 | 3 | 112.2 | E652 L674 R676 I682 Q683 | E652-R678 IonicContact OE1-CZ 3.93Å; E652-R678 IonicContact OE1-NE 3.32Å; E652-R678 PolarHBondContact OE1-NE 3.46Å; E652-R678 IonicContact OE1-NH2 3.48Å; E652-R678 PolarHBondContact OE1-NH2 2.72Å; E652-R678 IonicContact OE2-CZ 3.48Å; E652-R678 IonicContact OE2-NE 2.7Å; E652-R678 IonicContact OE2-NH2 3.63Å; E652-R678 PolarHBondContact OE2-NH2 3.19Å; L674-R678 HydrophobicContact CD1-CG 4.36Å; L674-R678 WeakPolarHBondContact O-CB 3.49Å; L674-R678 VanDerWaalsContact O-CG 3.32Å; L674-R678 WeakPolarHBondContact O-CG 3.44Å; L674-R678 PolarHBondContact O-N 2.68Å; R676-R678 VanDerWaalsContact C-N 3.3Å; R676-R678 PolarHBondContact O-N 3.29Å; R678-I682 HydrophobicContact CG-CD1 3.96Å; R678-Q683 WeakPolarHBondContact O-CB 3.23Å; R678-Q683 WeakPolarHBondContact O-CG 3.29Å; R678-Q683 PolarHBondContact O-N 3.1Å |
| 679 | K | 84.3 | Confident | 86.7 | Confident | 103 Ų | 103 | 46 Ų | 46 | 45% | 0.448 | 23% | 0.227 | S | C | . | . | I | π-helix | trans | -78 | -44.6 | -174.9 | -173.2 | -175.5 | 176.5 | -169.9 | 0 | 113.8 | K675 R676 F677 P684 | K675-K679 WeakPolarHBondContact O-CB 3.42Å; K675-K679 PolarHBondContact O-N 2.96Å; K675-K679 VanDerWaalsContact O-N 3.09Å; R676-K679 PolarHBondContact O-N 2.97Å; F677-K679 VanDerWaalsContact C-N 3.34Å; F677-K679 PolarHBondContact O-N 2.7Å; K679-P684 WeakPolarHBondContact O-CD 3.31Å |
| 680 | E | 86.1 | Confident | 87.5 | Confident | 74 Ų | 74 | 44.5 Ų | 44.5 | 35% | 0.346 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -95.2 | -16 | -172 | -69.3 | 176.6 | -155.9 | 0 | 0 | 113.4 | M567 R676 | M567-E680 HydrophobicContact CE-CB 3.64Å; M567-E680 HydrophobicContact CE-CG 4.49Å; M567-E680 WeakPolarHBondContact CE-OE2 3.26Å; M567-E680 HydrophobicContact SD-CB 3.76Å; R676-E680 HydrophobicContact CG-CG 4.33Å; R676-E680 WeakPolarHBondContact CG-OE1 3.42Å; R676-E680 IonicContact CZ-OE1 3.96Å; R676-E680 IonicContact CZ-OE2 3.45Å; R676-E680 VanDerWaalsContact NE-CD 3.25Å; R676-E680 IonicContact NE-OE1 2.88Å; R676-E680 PolarHBondContact NE-OE1 2.93Å; R676-E680 IonicContact NE-OE2 3.53Å; R676-E680 PolarHBondContact NE-OE2 3.43Å; R676-E680 IonicContact NH2-OE1 3.12Å; R676-E680 IonicContact NH2-OE2 3.1Å; R676-E680 PolarHBondContact NH2-OE2 2.93Å; R676-E680 PolarHBondContact O-N 3.19Å |
| 681 | Y | 91 | Very high | 88.6 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 2% | 0.024 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -120.9 | -58.6 | 179.6 | -167 | -89.1 | 0 | 0 | 0 | 112.8 | L569 H616 R647 I650 F677 P684 V685 | L569-Y681 HydrophobicContact CD2-CD2 3.86Å; L569-Y681 HydrophobicContact CD2-CE2 3.52Å; H616-Y681 HydrophobicContact CB-CD2 3.93Å; H616-Y681 HydrophobicContact CB-CE2 4.32Å; H616-Y681 AromaticContact CD2-CD2 3.82Å; H616-Y681 AromaticContact CE1-CD2 3.99Å; H616-Y681 AromaticContact CE1-CE2 3.78Å; H616-Y681 AromaticContact CG-CD2 3.53Å; H616-Y681 AromaticContact CG-CE2 3.8Å; H616-Y681 AromaticContact ND1-CD2 3.65Å; H616-Y681 AromaticContact ND1-CE2 3.41Å; H616-Y681 WeakPolarHBondContact ND1-CE2 3.23Å; R647-Y681 PolarHBondContact NH1-OH 3.4Å; I650-Y681 HydrophobicContact CD1-CD1 4.04Å; I650-Y681 HydrophobicContact CD1-CE1 3.92Å; I650-Y681 HydrophobicContact CG1-CE1 4.48Å; I650-Y681 HydrophobicContact CG2-CD1 4.32Å; I650-Y681 HydrophobicContact CG2-CE1 4.14Å; F677-Y681 HydrophobicContact CD2-CG 4.32Å; F677-Y681 HydrophobicContact CE1-CD1 4.35Å; F677-Y681 AromaticContact CE2-CD1 3.66Å; F677-Y681 HydrophobicContact CE2-CD1 3.66Å; F677-Y681 HydrophobicContact CE2-CD2 4.42Å; F677-Y681 HydrophobicContact CE2-CE1 4.35Å; F677-Y681 AromaticContact CE2-CG 3.7Å; F677-Y681 HydrophobicContact CE2-CG 3.7Å; F677-Y681 AromaticContact CZ-CD1 3.52Å; F677-Y681 HydrophobicContact CZ-CD1 3.52Å; F677-Y681 HydrophobicContact CZ-CE1 4.07Å; F677-Y681 HydrophobicContact CZ-CG 4.07Å; F677-Y681 WeakPolarHBondContact O-CA 3.31Å; F677-Y681 VanDerWaalsContact O-CB 3.31Å; F677-Y681 WeakPolarHBondContact O-CB 3.32Å; F677-Y681 PolarHBondContact O-N 2.73Å; Y681-P684 WeakPolarHBondContact O-CD 3.37Å; Y681-V685 HydrophobicContact CD1-CG2 4.44Å; Y681-V685 HydrophobicContact CE1-CG2 4.3Å; Y681-V685 WeakPolarHBondContact O-CB 3.39Å; Y681-V685 WeakPolarHBondContact O-CG2 3.42Å; Y681-V685 PolarHBondContact O-N 3.25Å |
| 682 | I | 92.6 | Very high | 89.4 | Confident | 12 Ų | 12 | 37.2 Ų | 37.2 | 6% | 0.062 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -64.2 | -51.9 | -174.6 | -59.6 | -177.6 | 0 | 0 | 0 | 111.2 | I650 E652 F677 R678 V685 Q686 | I650-I682 HydrophobicContact CB-CG1 4.29Å; I650-I682 HydrophobicContact CD1-CB 4.36Å; I650-I682 HydrophobicContact CD1-CG1 4.21Å; I650-I682 HydrophobicContact CD1-CG2 4.38Å; I650-I682 HydrophobicContact CG2-CD1 4.48Å; I650-I682 HydrophobicContact CG2-CG1 4.13Å; E652-I682 HydrophobicContact CG-CD1 4.16Å; F677-I682 HydrophobicContact CD1-CD1 3.8Å; F677-I682 HydrophobicContact CD1-CG1 3.89Å; F677-I682 HydrophobicContact CE1-CD1 3.75Å; F677-I682 HydrophobicContact CE1-CG1 3.68Å; F677-I682 HydrophobicContact CZ-CG1 4.47Å; F677-I682 PolarHBondContact O-N 3Å; R678-I682 HydrophobicContact CG-CD1 3.96Å; I682-V685 PolarHBondContact O-N 3.22Å; I682-Q686 VanDerWaalsContact CG2-CD 3.43Å; I682-Q686 HydrophobicContact CG2-CG 3.99Å; I682-Q686 VanDerWaalsContact O-CB 3.31Å; I682-Q686 WeakPolarHBondContact O-CB 3.39Å; I682-Q686 WeakPolarHBondContact O-CG 3.07Å; I682-Q686 PolarHBondContact O-N 3.39Å |
| 683 | Q | 88.7 | Confident | 90.4 | Very high | 73 Ų | 73 | 34.1 Ų | 34.1 | 34% | 0.341 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -56.5 | -53.5 | -178.2 | -82.4 | 173.7 | 5.7 | 0 | 0 | 112.4 | R678 V685 Q686 L687 M726 | R678-Q683 WeakPolarHBondContact O-CB 3.23Å; R678-Q683 WeakPolarHBondContact O-CG 3.29Å; R678-Q683 PolarHBondContact O-N 3.1Å; Q683-V685 PolarHBondContact O-N 3.03Å; Q683-Q686 PolarHBondContact O-N 3.41Å; Q683-L687 VanDerWaalsContact O-CB 3.23Å; Q683-L687 WeakPolarHBondContact O-CB 3.42Å; Q683-L687 PolarHBondContact O-N 3.37Å; Q683-M726 HydrophobicContact CG-CE 4.37Å |
| 684 | P | 92.3 | Very high | 91.2 | Very high | 19 Ų | 19 | 32.8 Ų | 32.8 | 12% | 0.123 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.6 | -38.7 | -179.9 | -23.2 | 33.3 | 0 | 0 | 0 | 113.2 | K679 Y681 R688 | K679-P684 WeakPolarHBondContact O-CD 3.31Å; Y681-P684 WeakPolarHBondContact O-CD 3.37Å; P684-R688 VanDerWaalsContact CB-NH1 3.3Å; P684-R688 VanDerWaalsContact O-CB 3.31Å; P684-R688 WeakPolarHBondContact O-CB 3.46Å; P684-R688 WeakPolarHBondContact O-CD 3.49Å; P684-R688 WeakPolarHBondContact O-CG 3.22Å; P684-R688 PolarHBondContact O-N 2.73Å |
| 685 | V | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.2 | -47.8 | 178.4 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | H616 R647 I650 Y681 I682 Q683 R688 V689 | H616-V685 HydrophobicContact CB-CG2 3.9Å; R647-V685 HydrophobicContact CG-CG1 3.9Å; I650-V685 HydrophobicContact CD1-CB 3.84Å; I650-V685 HydrophobicContact CD1-CG1 3.81Å; I650-V685 HydrophobicContact CD1-CG2 4.37Å; Y681-V685 HydrophobicContact CD1-CG2 4.44Å; Y681-V685 HydrophobicContact CE1-CG2 4.3Å; Y681-V685 WeakPolarHBondContact O-CB 3.39Å; Y681-V685 WeakPolarHBondContact O-CG2 3.42Å; Y681-V685 PolarHBondContact O-N 3.25Å; I682-V685 PolarHBondContact O-N 3.22Å; Q683-V685 PolarHBondContact O-N 3.03Å; V685-R688 PolarHBondContact O-N 2.94Å; V685-V689 WeakPolarHBondContact O-CG2 3.45Å; V685-V689 PolarHBondContact O-N 2.83Å |
| 686 | Q | 95.6 | Very high | 92.2 | Very high | 34 Ų | 34 | 26.6 Ų | 26.6 | 16% | 0.159 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.8 | -44.1 | 179.3 | -74.8 | -173.5 | -16.9 | 0 | 0 | 111.8 | F648 I682 Q683 R688 V689 L690 M726 | F648-Q686 HydrophobicContact CD1-CG 4.39Å; F648-Q686 HydrophobicContact CD2-CB 3.86Å; F648-Q686 HydrophobicContact CD2-CG 3.68Å; F648-Q686 HydrophobicContact CE1-CG 4.27Å; F648-Q686 HydrophobicContact CE2-CB 3.45Å; F648-Q686 VanDerWaalsContact CE2-CB 3.45Å; F648-Q686 HydrophobicContact CE2-CG 3.55Å; F648-Q686 HydrophobicContact CG-CG 4.09Å; F648-Q686 HydrophobicContact CZ-CB 4.03Å; F648-Q686 HydrophobicContact CZ-CG 3.84Å; F648-Q686 PolarHBondContact O-NE2 3.06Å; I682-Q686 VanDerWaalsContact CG2-CD 3.43Å; I682-Q686 HydrophobicContact CG2-CG 3.99Å; I682-Q686 VanDerWaalsContact O-CB 3.31Å; I682-Q686 WeakPolarHBondContact O-CB 3.39Å; I682-Q686 WeakPolarHBondContact O-CG 3.07Å; I682-Q686 PolarHBondContact O-N 3.39Å; Q683-Q686 PolarHBondContact O-N 3.41Å; Q686-R688 VanDerWaalsContact C-N 3.33Å; Q686-R688 PolarHBondContact O-N 3.49Å; Q686-V689 PolarHBondContact O-N 3.22Å; Q686-L690 WeakPolarHBondContact O-CG 3.08Å; Q686-L690 PolarHBondContact O-N 3.07Å; Q686-M726 HydrophobicContact CB-CE 3.89Å; Q686-M726 HydrophobicContact CB-SD 4.28Å |
| 687 | L | 92.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56 | -48.9 | 174.5 | -170.7 | 91.4 | 0 | 0 | 0 | 110.8 | D265 M269 Q683 V689 L690 N691 W729 | D265-L687 HydrophobicContact CB-CD1 4.1Å; D265-L687 HydrophobicContact CB-CD2 3.89Å; M269-L687 HydrophobicContact CG-CD1 3.96Å; M269-L687 HydrophobicContact CG-CD2 3.94Å; M269-L687 HydrophobicContact CG-CG 3.88Å; M269-L687 HydrophobicContact SD-CD1 4.25Å; M269-L687 HydrophobicContact SD-CD2 4.25Å; M269-L687 HydrophobicContact SD-CG 3.79Å; Q683-L687 VanDerWaalsContact O-CB 3.23Å; Q683-L687 WeakPolarHBondContact O-CB 3.42Å; Q683-L687 PolarHBondContact O-N 3.37Å; L687-V689 PolarHBondContact O-N 3.36Å; L687-L690 CarbonylContact O-C 3.28Å; L687-L690 WeakPolarHBondContact O-CB 3.26Å; L687-L690 PolarHBondContact O-N 3.11Å; L687-L690 VanDerWaalsContact O-N 3.16Å; L687-N691 PolarHBondContact O-N 2.9Å; L687-W729 HydrophobicContact CD1-CD2 3.69Å; L687-W729 VanDerWaalsContact CD1-CE2 3.49Å; L687-W729 HydrophobicContact CD1-CE3 3.6Å; L687-W729 HydrophobicContact CD1-CH2 3.27Å; L687-W729 HydrophobicContact CD1-CZ2 3.33Å; L687-W729 HydrophobicContact CD1-CZ3 3.38Å |
| 688 | R | 96 | Very high | 92.9 | Very high | 21 Ų | 21 | 26.5 Ų | 26.5 | 8% | 0.079 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.2 | -34.9 | 179.9 | -71.3 | 167.3 | -178.5 | 133.5 | 12 | 112.7 | E268 T614 Y615 H616 P684 V685 Q686 N691 V692 | E268-R688 WeakPolarHBondContact OE1-CG 3.46Å; E268-R688 IonicContact OE1-CZ 2.87Å; E268-R688 IonicContact OE1-NE 3.18Å; E268-R688 PolarHBondContact OE1-NE 2.9Å; E268-R688 IonicContact OE1-NH2 3.34Å; E268-R688 PolarHBondContact OE1-NH2 2.69Å; E268-R688 IonicContact OE2-CZ 3Å; E268-R688 IonicContact OE2-NE 2.88Å; E268-R688 IonicContact OE2-NH2 2.76Å; E268-R688 PolarHBondContact OE2-NH2 3.34Å; T614-R688 HydrophobicContact CG2-CB 3.98Å; Y615-R688 WeakPolarHBondContact O-CD 3.47Å; Y615-R688 VanDerWaalsContact O-CZ 3.28Å; Y615-R688 PolarHBondContact O-NE 3.21Å; Y615-R688 PolarHBondContact O-NH1 3.43Å; H616-R688 VanDerWaalsContact CA-NH1 3.26Å; H616-R688 PolarHBondContact O-NH1 3.44Å; P684-R688 VanDerWaalsContact CB-NH1 3.3Å; P684-R688 VanDerWaalsContact O-CB 3.31Å; P684-R688 WeakPolarHBondContact O-CB 3.46Å; P684-R688 WeakPolarHBondContact O-CD 3.49Å; P684-R688 WeakPolarHBondContact O-CG 3.22Å; P684-R688 PolarHBondContact O-N 2.73Å; V685-R688 PolarHBondContact O-N 2.94Å; Q686-R688 VanDerWaalsContact C-N 3.33Å; Q686-R688 PolarHBondContact O-N 3.49Å; R688-N691 VanDerWaalsContact O-CB 3.32Å; R688-N691 WeakPolarHBondContact O-CB 3.43Å; R688-N691 PolarHBondContact O-N 3.02Å; R688-V692 VanDerWaalsContact O-CG2 3.31Å; R688-V692 WeakPolarHBondContact O-CG2 3.43Å; R688-V692 PolarHBondContact O-N 2.95Å |
| 689 | V | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.8 | -47.4 | 170.2 | 168.3 | 0 | 0 | 0 | 0 | 110.3 | T614 I644 R647 F648 V685 Q686 L687 N691 V692 C693 F717 | T614-V689 HydrophobicContact CG2-CB 4.46Å; T614-V689 HydrophobicContact CG2-CG2 3.77Å; I644-V689 HydrophobicContact CB-CG1 4.15Å; R647-V689 HydrophobicContact CB-CG2 4.2Å; R647-V689 HydrophobicContact CG-CG2 3.82Å; F648-V689 HydrophobicContact CB-CG1 4.19Å; F648-V689 HydrophobicContact CD2-CB 4.01Å; F648-V689 HydrophobicContact CD2-CG1 3.87Å; F648-V689 HydrophobicContact CG-CG1 4.49Å; V685-V689 WeakPolarHBondContact O-CG2 3.45Å; V685-V689 PolarHBondContact O-N 2.83Å; Q686-V689 PolarHBondContact O-N 3.22Å; L687-V689 PolarHBondContact O-N 3.36Å; V689-N691 VanDerWaalsContact C-N 3.26Å; V689-N691 PolarHBondContact O-N 3.45Å; V689-V692 WeakPolarHBondContact O-CB 3.15Å; V689-V692 PolarHBondContact O-N 3.01Å; V689-C693 PolarHBondContact O-N 3.4Å; V689-C693 PolarHBondContact O-SG 3.17Å; V689-C693 VanDerWaalsContact O-SG 3.37Å; V689-F717 HydrophobicContact CG1-CZ 4.38Å |
| 690 | L | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.5 | -34.8 | 175.6 | -65.4 | -179.2 | 0 | 0 | 0 | 111.6 | M269 F648 Q686 L687 C693 R694 I718 M726 W729 I733 | M269-L690 HydrophobicContact CE-CB 4.47Å; F648-L690 HydrophobicContact CE2-CD1 4.46Å; F648-L690 HydrophobicContact CE2-CD2 4.21Å; F648-L690 HydrophobicContact CE2-CG 4.09Å; Q686-L690 WeakPolarHBondContact O-CG 3.08Å; Q686-L690 PolarHBondContact O-N 3.07Å; L687-L690 CarbonylContact O-C 3.28Å; L687-L690 WeakPolarHBondContact O-CB 3.26Å; L687-L690 PolarHBondContact O-N 3.11Å; L687-L690 VanDerWaalsContact O-N 3.16Å; L690-C693 WeakPolarHBondContact O-CB 3.45Å; L690-C693 PolarHBondContact O-N 3.11Å; L690-R694 WeakPolarHBondContact O-CB 3.22Å; L690-R694 PolarHBondContact O-N 3.43Å; L690-I718 HydrophobicContact CD2-CD1 3.82Å; L690-M726 HydrophobicContact CD1-CB 4.33Å; L690-M726 HydrophobicContact CD1-CG 4.49Å; L690-M726 HydrophobicContact CD1-SD 3.8Å; L690-W729 HydrophobicContact CD1-CB 3.99Å; L690-I733 HydrophobicContact CB-CD1 3.99Å; L690-I733 HydrophobicContact CD2-CD1 4.15Å; L690-I733 WeakPolarHBondContact O-CD1 3.28Å |
| 691 | N | 94.2 | Very high | 93.6 | Very high | 10 Ų | 10 | 18.9 Ų | 18.9 | 5% | 0.053 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | 174.5 | -157.5 | 4.5 | 0 | 0 | 0 | 111.9 | E268 M269 L687 R688 V689 C693 R694 H695 | E268-N691 PolarHBondContact O-ND2 3.01Å; M269-N691 HydrophobicContact CE-CB 4.07Å; M269-N691 HydrophobicContact SD-CB 3.37Å; M269-N691 WeakPolarHBondContact SD-CB 3.22Å; M269-N691 VanDerWaalsContact SD-CG 3.52Å; L687-N691 PolarHBondContact O-N 2.9Å; R688-N691 VanDerWaalsContact O-CB 3.32Å; R688-N691 WeakPolarHBondContact O-CB 3.43Å; R688-N691 PolarHBondContact O-N 3.02Å; V689-N691 VanDerWaalsContact C-N 3.26Å; V689-N691 PolarHBondContact O-N 3.45Å; N691-C693 VanDerWaalsContact C-N 3.34Å; N691-C693 PolarHBondContact O-N 3.18Å; N691-R694 WeakPolarHBondContact O-CB 3.48Å; N691-R694 PolarHBondContact O-N 2.79Å; N691-H695 PolarHBondContact O-N 2.87Å; N691-H695 PolarHBondContact O-ND1 3.46Å; N691-H695 PolarHBondContact OD1-CE1 2.81Å; N691-H695 PolarHBondContact OD1-ND1 3.48Å |
| 692 | V | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.2 | -45.4 | 174.9 | 174.2 | 0 | 0 | 0 | 0 | 110.1 | L613 T614 V624 L628 R688 V689 R694 H695 W696 | L613-V692 HydrophobicContact CD1-CG2 4.06Å; L613-V692 HydrophobicContact CD2-CG1 3.98Å; L613-V692 HydrophobicContact CD2-CG2 3.73Å; L613-V692 HydrophobicContact CG-CG2 3.61Å; T614-V692 HydrophobicContact CG2-CG2 4.16Å; V624-V692 HydrophobicContact CG1-CG2 4.44Å; V624-V692 HydrophobicContact CG2-CG2 4.38Å; L628-V692 HydrophobicContact CD1-CG1 4.42Å; L628-V692 HydrophobicContact CD2-CG1 3.98Å; L628-V692 HydrophobicContact CG-CG1 4.45Å; R688-V692 VanDerWaalsContact O-CG2 3.31Å; R688-V692 WeakPolarHBondContact O-CG2 3.43Å; R688-V692 PolarHBondContact O-N 2.95Å; V689-V692 WeakPolarHBondContact O-CB 3.15Å; V689-V692 PolarHBondContact O-N 3.01Å; V692-R694 PolarHBondContact O-N 2.88Å; V692-H695 PolarHBondContact O-N 2.84Å; V692-W696 VanDerWaalsContact O-CB 3.23Å; V692-W696 WeakPolarHBondContact O-CB 3.39Å; V692-W696 PolarHBondContact O-N 2.97Å |
| 693 | C | 96.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.1 | -44.3 | 175.7 | -67.8 | 0 | 0 | 0 | 0 | 112.2 | V689 L690 N691 W696 V697 M714 I733 | V689-C693 PolarHBondContact O-N 3.4Å; V689-C693 PolarHBondContact O-SG 3.17Å; V689-C693 VanDerWaalsContact O-SG 3.37Å; L690-C693 WeakPolarHBondContact O-CB 3.45Å; L690-C693 PolarHBondContact O-N 3.11Å; N691-C693 VanDerWaalsContact C-N 3.34Å; N691-C693 PolarHBondContact O-N 3.18Å; C693-W696 PolarHBondContact O-N 3.37Å; C693-V697 WeakPolarHBondContact O-CG2 3.38Å; C693-V697 PolarHBondContact O-N 3.16Å; C693-M714 HydrophobicContact CB-CE 4.22Å; C693-M714 HydrophobicContact CB-SD 4.14Å; C693-I733 HydrophobicContact CB-CD1 4.37Å |
| 694 | R | 94.6 | Very high | 93.7 | Very high | 30 Ų | 30 | 15.7 Ų | 15.7 | 11% | 0.113 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -56.5 | -54.3 | 177.6 | -171.3 | -170.5 | -176.7 | -65.4 | -5.9 | 110.7 | D271 L690 N691 V692 W696 V697 E698 I733 I736 | D271-R694 IonicContact OD1-CZ 3.74Å; D271-R694 IonicContact OD1-NH1 2.73Å; D271-R694 PolarHBondContact OD1-NH1 3.29Å; D271-R694 IonicContact OD2-CZ 2.75Å; D271-R694 IonicContact OD2-NH1 2.61Å; D271-R694 PolarHBondContact OD2-NH1 3.14Å; L690-R694 WeakPolarHBondContact O-CB 3.22Å; L690-R694 PolarHBondContact O-N 3.43Å; N691-R694 WeakPolarHBondContact O-CB 3.48Å; N691-R694 PolarHBondContact O-N 2.79Å; V692-R694 PolarHBondContact O-N 2.88Å; R694-W696 VanDerWaalsContact C-N 3.33Å; R694-W696 PolarHBondContact O-N 3.13Å; R694-V697 PolarHBondContact O-N 3.09Å; R694-E698 IonicContact CZ-OE2 3.84Å; R694-E698 IonicContact NH1-OE2 2.79Å; R694-E698 PolarHBondContact NH1-OE2 3.26Å; R694-E698 IonicContact NH2-OE2 2.66Å; R694-E698 VanDerWaalsContact O-CB 3.31Å; R694-E698 WeakPolarHBondContact O-CB 3.48Å; R694-E698 PolarHBondContact O-N 3.39Å; R694-I733 HydrophobicContact CB-CD1 4.29Å; R694-I733 HydrophobicContact CB-CG1 4.02Å; R694-I733 HydrophobicContact CG-CG1 4.33Å; R694-I736 HydrophobicContact CG-CD1 3.8Å |
| 695 | H | 92.5 | Very high | 93.5 | Very high | 25 Ų | 25 | 19.1 Ų | 19.1 | 12% | 0.116 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.9 | -37.8 | 177.8 | -76.7 | 78.4 | 0 | 0 | 0 | 112.6 | D271 V624 L628 N691 V692 E698 H699 | D271-H695 VanDerWaalsContact CG-NE2 3.28Å; D271-H695 IonicContact OD1-CE1 3.71Å; D271-H695 PolarHBondContact OD1-CE1 2.99Å; D271-H695 IonicContact OD1-ND1 2.99Å; D271-H695 IonicContact OD1-NE2 3.85Å; D271-H695 PolarHBondContact OD1-NE2 3.48Å; D271-H695 IonicContact OD2-CD2 3.7Å; D271-H695 IonicContact OD2-CE1 3.71Å; D271-H695 PolarHBondContact OD2-CE1 3.26Å; D271-H695 IonicContact OD2-CG 2.72Å; D271-H695 IonicContact OD2-ND1 3.75Å; D271-H695 IonicContact OD2-NE2 3.41Å; D271-H695 PolarHBondContact OD2-NE2 3.27Å; V624-H695 HydrophobicContact CG1-CB 4.21Å; L628-H695 HydrophobicContact CD1-CB 3.56Å; N691-H695 PolarHBondContact O-N 2.87Å; N691-H695 PolarHBondContact O-ND1 3.46Å; N691-H695 PolarHBondContact OD1-CE1 2.81Å; N691-H695 PolarHBondContact OD1-ND1 3.48Å; V692-H695 PolarHBondContact O-N 2.84Å; H695-E698 PolarHBondContact O-N 3.16Å; H695-H699 PolarHBondContact O-N 3.04Å |
| 696 | W | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.2 | -47.3 | 178.8 | -165.2 | -5.5 | 0 | 0 | 0 | 110.7 | L628 Y631 P637 L640 L641 I644 V692 C693 R694 H700 F701 D703 F704 L710 M714 | L628-W696 HydrophobicContact CD1-CB 4.23Å; L628-W696 HydrophobicContact CD2-CB 4.04Å; L628-W696 HydrophobicContact CD2-CD2 4.28Å; L628-W696 HydrophobicContact CD2-CG 4Å; Y631-W696 VanDerWaalsContact OH-CZ2 3.31Å; Y631-W696 WeakPolarHBondContact OH-CZ2 3.42Å; P637-W696 HydrophobicContact CB-CZ2 4.14Å; P637-W696 WeakPolarHBondContact O-CH2 3.23Å; L640-W696 HydrophobicContact CB-CH2 3.96Å; L640-W696 HydrophobicContact CB-CZ3 4.41Å; L640-W696 HydrophobicContact CD2-CD2 4.49Å; L640-W696 HydrophobicContact CD2-CE3 4.21Å; L640-W696 HydrophobicContact CD2-CH2 3.76Å; L640-W696 HydrophobicContact CD2-CZ2 4.04Å; L640-W696 HydrophobicContact CD2-CZ3 3.85Å; L640-W696 HydrophobicContact CG-CH2 3.88Å; L640-W696 HydrophobicContact CG-CZ3 3.88Å; L641-W696 HydrophobicContact CB-CH2 4.09Å; L641-W696 HydrophobicContact CB-CZ3 4.21Å; I644-W696 HydrophobicContact CD1-CE3 4.12Å; I644-W696 HydrophobicContact CD1-CZ3 3.79Å; V692-W696 VanDerWaalsContact O-CB 3.23Å; V692-W696 WeakPolarHBondContact O-CB 3.39Å; V692-W696 PolarHBondContact O-N 2.97Å; C693-W696 PolarHBondContact O-N 3.37Å; R694-W696 VanDerWaalsContact C-N 3.33Å; R694-W696 PolarHBondContact O-N 3.13Å; W696-H700 CarbonylContact O-C 3.45Å; W696-H700 VanDerWaalsContact O-CA 3.22Å; W696-H700 WeakPolarHBondContact O-CA 3.23Å; W696-H700 VanDerWaalsContact O-CB 3.31Å; W696-H700 WeakPolarHBondContact O-CB 3.49Å; W696-H700 PolarHBondContact O-N 3.25Å; W696-F701 PolarHBondContact O-N 3.33Å; W696-D703 PolarHBondContact NE1-OD2 3.42Å; W696-F704 HydrophobicContact CB-CE2 4.44Å; W696-F704 HydrophobicContact CB-CZ 4.46Å; W696-F704 AromaticContact CD1-CE2 3.52Å; W696-F704 AromaticContact CD1-CZ 3.82Å; W696-F704 HydrophobicContact CD2-CE2 4.26Å; W696-F704 AromaticContact CD2-CZ 3.76Å; W696-F704 HydrophobicContact CD2-CZ 3.76Å; W696-F704 AromaticContact CE2-CZ 3.85Å; W696-F704 HydrophobicContact CE3-CZ 4.28Å; W696-F704 AromaticContact CG-CE2 3.86Å; W696-F704 HydrophobicContact CG-CE2 3.86Å; W696-F704 AromaticContact CG-CZ 3.8Å; W696-F704 HydrophobicContact CG-CZ 3.8Å; W696-F704 HydrophobicContact CZ2-CZ 4.44Å; W696-F704 AromaticContact NE1-CE2 3.86Å; W696-F704 AromaticContact NE1-CZ 3.93Å; W696-L710 HydrophobicContact CH2-CD1 4.49Å; W696-L710 HydrophobicContact CZ2-CD2 4.21Å; W696-M714 HydrophobicContact CE3-CE 3.87Å; W696-M714 HydrophobicContact CZ3-CE 4.12Å |
| 697 | V | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.4 | -39 | 177 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | C693 R694 F701 F704 M714 I736 I737 K740 | C693-V697 WeakPolarHBondContact O-CG2 3.38Å; C693-V697 PolarHBondContact O-N 3.16Å; R694-V697 PolarHBondContact O-N 3.09Å; V697-F701 HydrophobicContact CG1-CD2 3.97Å; V697-F701 HydrophobicContact CG1-CE2 4.19Å; V697-F701 WeakPolarHBondContact O-CB 3.31Å; V697-F701 WeakPolarHBondContact O-CD2 3.36Å; V697-F704 HydrophobicContact CG2-CE2 3.98Å; V697-F704 HydrophobicContact CG2-CZ 4.08Å; V697-M714 HydrophobicContact CG2-CG 4.35Å; V697-I736 HydrophobicContact CB-CG2 4.46Å; V697-I736 HydrophobicContact CG1-CG2 3.78Å; V697-I737 HydrophobicContact CB-CG1 4.41Å; V697-I737 HydrophobicContact CG1-CB 4.4Å; V697-I737 HydrophobicContact CG1-CG1 3.57Å; V697-I737 HydrophobicContact CG2-CD1 4.4Å; V697-I737 HydrophobicContact CG2-CG1 3.99Å; V697-K740 HydrophobicContact CG1-CG 4.46Å |
| 698 | E | 90 | Very high | 93.1 | Very high | 49 Ų | 49 | 29.2 Ų | 29.2 | 23% | 0.229 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -73.7 | -44.8 | -174.6 | -171.6 | 159.9 | -171.8 | 0 | 0 | 113.3 | R694 H695 I736 K740 | R694-E698 IonicContact CZ-OE2 3.84Å; R694-E698 IonicContact NH1-OE2 2.79Å; R694-E698 PolarHBondContact NH1-OE2 3.26Å; R694-E698 IonicContact NH2-OE2 2.66Å; R694-E698 VanDerWaalsContact O-CB 3.31Å; R694-E698 WeakPolarHBondContact O-CB 3.48Å; R694-E698 PolarHBondContact O-N 3.39Å; H695-E698 PolarHBondContact O-N 3.16Å; E698-I736 HydrophobicContact CB-CG2 4.41Å; E698-K740 WeakPolarHBondContact O-CE 3.41Å; E698-K740 PolarHBondContact O-NZ 2.87Å |
| 699 | H | 88.8 | Confident | 93.2 | Very high | 91 Ų | 91 | 34.7 Ų | 34.7 | 42% | 0.421 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -109.7 | -18.2 | -171.9 | -58.6 | -55.8 | 0 | 0 | 0 | 114.3 | D271 H695 | D271-H699 IonicContact OD2-NE2 3.36Å; H695-H699 PolarHBondContact O-N 3.04Å |
| 700 | H | 91 | Very high | 93.2 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 5% | 0.051 | 17% | 0.165 | C | C | . | . | trans | -123.5 | 32.8 | -174.9 | -60.5 | -85.9 | 0 | 0 | 0 | 111.7 | L628 W696 Y702 D703 | L628-H700 WeakPolarHBondContact CB-NE2 3.43Å; L628-H700 PolarHBondContact O-CE1 3.33Å; L628-H700 PolarHBondContact O-ND1 3.45Å; W696-H700 CarbonylContact O-C 3.45Å; W696-H700 VanDerWaalsContact O-CA 3.22Å; W696-H700 WeakPolarHBondContact O-CA 3.23Å; W696-H700 VanDerWaalsContact O-CB 3.31Å; W696-H700 WeakPolarHBondContact O-CB 3.49Å; W696-H700 PolarHBondContact O-N 3.25Å; H700-Y702 HydrophobicContact CB-CE1 4.14Å; H700-Y702 AromaticContact ND1-CE1 3.95Å; H700-Y702 AromaticContact ND1-CZ 3.64Å; H700-Y702 PolarHBondContact ND1-OH 2.92Å; H700-Y702 PolarHBondContact O-N 2.96Å; H700-D703 PolarHBondContact O-N 2.98Å | ||
| 701 | F | 92.2 | Very high | 93.2 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 6% | 0.057 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25 | -174.8 | -162.5 | -112.6 | 0 | 0 | 0 | 113.7 | W696 V697 D703 F704 E705 L711 K740 K741 | W696-F701 PolarHBondContact O-N 3.33Å; V697-F701 HydrophobicContact CG1-CD2 3.97Å; V697-F701 HydrophobicContact CG1-CE2 4.19Å; V697-F701 WeakPolarHBondContact O-CB 3.31Å; V697-F701 WeakPolarHBondContact O-CD2 3.36Å; F701-D703 PolarHBondContact O-N 3.3Å; F701-D703 VanDerWaalsContact O-N 3.1Å; F701-F704 HydrophobicContact CD2-CB 4.32Å; F701-F704 HydrophobicContact CD2-CD2 4Å; F701-F704 HydrophobicContact CE2-CB 4.18Å; F701-F704 HydrophobicContact CE2-CD2 4.47Å; F701-F704 WeakPolarHBondContact O-CB 3.37Å; F701-F704 PolarHBondContact O-N 2.77Å; F701-E705 HydrophobicContact CD1-CG 3.52Å; F701-E705 HydrophobicContact CE1-CG 3.69Å; F701-E705 PolarHBondContact O-N 3Å; F701-L711 HydrophobicContact CE2-CD1 4.33Å; F701-K740 HydrophobicContact CB-CD 4.36Å; F701-K740 HydrophobicContact CD1-CB 3.94Å; F701-K740 HydrophobicContact CD2-CB 3.73Å; F701-K740 HydrophobicContact CD2-CG 3.94Å; F701-K740 HydrophobicContact CE1-CB 3.78Å; F701-K740 HydrophobicContact CE2-CB 3.55Å; F701-K740 HydrophobicContact CE2-CG 4.24Å; F701-K740 HydrophobicContact CG-CB 3.93Å; F701-K740 HydrophobicContact CG-CD 4.23Å; F701-K740 HydrophobicContact CG-CG 4.11Å; F701-K740 HydrophobicContact CZ-CB 3.59Å; F701-K741 HydrophobicContact CZ-CG 4.32Å |
| 702 | Y | 87.4 | Confident | 93.3 | Very high | 17 Ų | 17 | 39.6 Ų | 39.6 | 7% | 0.067 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.7 | -23.3 | 179.4 | 54.9 | -100.6 | 0 | 0 | 0 | 114.3 | R632 H700 R706 Q800 S802 | R632-Y702 PolarHBondContact NH1-OH 2.8Å; R632-Y702 VanDerWaalsContact NH2-CE2 3.31Å; R632-Y702 PolarHBondContact NH2-OH 3.27Å; H700-Y702 HydrophobicContact CB-CE1 4.14Å; H700-Y702 AromaticContact ND1-CE1 3.95Å; H700-Y702 AromaticContact ND1-CZ 3.64Å; H700-Y702 PolarHBondContact ND1-OH 2.92Å; H700-Y702 PolarHBondContact O-N 2.96Å; Y702-R706 WeakPolarHBondContact O-CB 3.23Å; Y702-R706 WeakPolarHBondContact O-CD 3.43Å; Y702-R706 WeakPolarHBondContact O-CG 3.4Å; Y702-R706 PolarHBondContact O-N 2.95Å; Y702-R706 VanDerWaalsContact O-N 3.09Å; Y702-Q800 HydrophobicContact CD1-CG 4.32Å; Y702-Q800 HydrophobicContact CE1-CB 4.36Å; Y702-S802 WeakPolarHBondContact CE2-OG 3.47Å; Y702-S802 VanDerWaalsContact CZ-OG 3.23Å; Y702-S802 WeakPolarHBondContact OH-CB 3.47Å; Y702-S802 PolarHBondContact OH-OG 3.22Å |
| 703 | D | 91.9 | Very high | 93.4 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.7 | -41.4 | 172.4 | -67.2 | -33.3 | 0 | 0 | 0 | 111.7 | Y631 R632 W696 H700 F701 E705 R706 D707 L710 | Y631-D703 PolarHBondContact OH-OD2 3.26Å; R632-D703 IonicContact CZ-OD1 3.95Å; R632-D703 IonicContact CZ-OD2 3.66Å; R632-D703 IonicContact NE-OD1 3.96Å; R632-D703 PolarHBondContact NE-OD1 2.96Å; R632-D703 IonicContact NE-OD2 2.92Å; R632-D703 PolarHBondContact NE-OD2 3.24Å; R632-D703 VanDerWaalsContact NH2-CG 3.32Å; R632-D703 IonicContact NH2-OD1 3.91Å; R632-D703 PolarHBondContact NH2-OD1 3.1Å; R632-D703 IonicContact NH2-OD2 3.03Å; R632-D703 PolarHBondContact NH2-OD2 3.23Å; W696-D703 PolarHBondContact NE1-OD2 3.42Å; H700-D703 PolarHBondContact O-N 2.98Å; F701-D703 PolarHBondContact O-N 3.3Å; F701-D703 VanDerWaalsContact O-N 3.1Å; D703-E705 VanDerWaalsContact C-N 3.34Å; D703-R706 PolarHBondContact O-N 3.19Å; D703-D707 PolarHBondContact O-N 2.94Å; D703-L710 HydrophobicContact CB-CD2 3.83Å |
| 704 | F | 94.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -74.6 | -27.5 | 179 | -54.5 | -76.4 | 0 | 0 | 0 | 111.6 | W696 V697 F701 D707 L710 L711 M714 | W696-F704 HydrophobicContact CB-CE2 4.44Å; W696-F704 HydrophobicContact CB-CZ 4.46Å; W696-F704 AromaticContact CD1-CE2 3.52Å; W696-F704 AromaticContact CD1-CZ 3.82Å; W696-F704 HydrophobicContact CD2-CE2 4.26Å; W696-F704 AromaticContact CD2-CZ 3.76Å; W696-F704 HydrophobicContact CD2-CZ 3.76Å; W696-F704 AromaticContact CE2-CZ 3.85Å; W696-F704 HydrophobicContact CE3-CZ 4.28Å; W696-F704 AromaticContact CG-CE2 3.86Å; W696-F704 HydrophobicContact CG-CE2 3.86Å; W696-F704 AromaticContact CG-CZ 3.8Å; W696-F704 HydrophobicContact CG-CZ 3.8Å; W696-F704 HydrophobicContact CZ2-CZ 4.44Å; W696-F704 AromaticContact NE1-CE2 3.86Å; W696-F704 AromaticContact NE1-CZ 3.93Å; V697-F704 HydrophobicContact CG2-CE2 3.98Å; V697-F704 HydrophobicContact CG2-CZ 4.08Å; F701-F704 HydrophobicContact CD2-CB 4.32Å; F701-F704 HydrophobicContact CD2-CD2 4Å; F701-F704 HydrophobicContact CE2-CB 4.18Å; F701-F704 HydrophobicContact CE2-CD2 4.47Å; F701-F704 WeakPolarHBondContact O-CB 3.37Å; F701-F704 PolarHBondContact O-N 2.77Å; F704-D707 CarbonylContact O-C 3.57Å; F704-L710 HydrophobicContact CD1-CB 4.37Å; F704-L710 HydrophobicContact CD1-CD2 3.83Å; F704-L710 HydrophobicContact CD1-CG 3.79Å; F704-L710 HydrophobicContact CE1-CD2 3.96Å; F704-L710 HydrophobicContact CE1-CG 3.86Å; F704-L710 HydrophobicContact CG-CD2 4.47Å; F704-L711 HydrophobicContact CB-CB 4.01Å; F704-L711 HydrophobicContact CB-CD1 4.06Å; F704-L711 HydrophobicContact CB-CG 4.46Å; F704-L711 HydrophobicContact CD1-CB 4.31Å; F704-L711 HydrophobicContact CD1-CD1 4.26Å; F704-L711 HydrophobicContact CG-CD1 4.3Å; F704-M714 HydrophobicContact CD1-CB 4.47Å; F704-M714 HydrophobicContact CE1-CB 3.92Å; F704-M714 HydrophobicContact CE1-CE 3.91Å; F704-M714 HydrophobicContact CE1-CG 4.13Å; F704-M714 HydrophobicContact CZ-CE 3.77Å |
| 705 | E | 89.5 | Confident | 93.5 | Very high | 90 Ų | 90 | 43.2 Ų | 43.2 | 42% | 0.421 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -69.8 | -38.7 | 171.4 | -66 | 179.3 | 152.1 | 0 | 0 | 112.2 | F701 D703 | F701-E705 HydrophobicContact CD1-CG 3.52Å; F701-E705 HydrophobicContact CE1-CG 3.69Å; F701-E705 PolarHBondContact O-N 3Å; D703-E705 VanDerWaalsContact C-N 3.34Å |
| 706 | R | 87.9 | Confident | 93.7 | Very high | 121 Ų | 121 | 46.9 Ų | 46.9 | 46% | 0.457 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -76.5 | -26.9 | 178.9 | -69.3 | 168.4 | -172.2 | -165.3 | 0.9 | 112.6 | Y702 D703 | Y702-R706 WeakPolarHBondContact O-CB 3.23Å; Y702-R706 WeakPolarHBondContact O-CD 3.43Å; Y702-R706 WeakPolarHBondContact O-CG 3.4Å; Y702-R706 PolarHBondContact O-N 2.95Å; Y702-R706 VanDerWaalsContact O-N 3.09Å; D703-R706 PolarHBondContact O-N 3.19Å |
| 707 | D | 92.8 | Very high | 93.8 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 27% | 0.267 | 22% | 0.224 | S | C | . | . | trans | -132.2 | 96.1 | -177.9 | -172.4 | -16.1 | 0 | 0 | 0 | 111 | Q638 D703 F704 Y709 L710 L711 | Q638-D707 PolarHBondContact NE2-OD1 3.45Å; Q638-D707 PolarHBondContact NE2-OD2 3.36Å; D703-D707 PolarHBondContact O-N 2.94Å; F704-D707 CarbonylContact O-C 3.57Å; D707-Y709 PolarHBondContact O-N 3.47Å; D707-Y709 WeakPolarHBondContact OD1-CB 3.27Å; D707-Y709 PolarHBondContact OD1-N 3.14Å; D707-L710 HydrophobicContact CB-CB 3.8Å; D707-L710 VanDerWaalsContact O-CB 3.31Å; D707-L710 WeakPolarHBondContact O-CB 3.38Å; D707-L710 PolarHBondContact O-N 3.22Å; D707-L710 VanDerWaalsContact O-N 3.14Å; D707-L710 PolarHBondContact OD1-N 3.39Å; D707-L711 PolarHBondContact O-N 3.45Å | ||
| 708 | A | 94.8 | Very high | 93.8 | Very high | 78 Ų | 78 | 47.5 Ų | 47.5 | 65% | 0.645 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -62.3 | -29.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L711 Q712 | A708-L711 PolarHBondContact O-N 2.81Å; A708-Q712 PolarHBondContact O-N 3.11Å |
| 709 | Y | 97.1 | Very high | 94 | Very high | 136 Ų | 136 | 48 Ų | 48 | 53% | 0.533 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -72 | -34.4 | 177.1 | -178.2 | -115 | 0 | 0 | 0 | 111.2 | D707 L711 Q712 R713 | D707-Y709 PolarHBondContact O-N 3.47Å; D707-Y709 WeakPolarHBondContact OD1-CB 3.27Å; D707-Y709 PolarHBondContact OD1-N 3.14Å; Y709-L711 VanDerWaalsContact C-N 3.34Å; Y709-Q712 PolarHBondContact O-N 3.24Å; Y709-R713 HydrophobicContact CE1-CG 4.12Å; Y709-R713 HydrophobicContact CE2-CG 4.22Å; Y709-R713 WeakPolarHBondContact O-CG 3.4Å; Y709-R713 PolarHBondContact O-N 3.32Å |
| 710 | L | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.3 | -43.6 | 171.2 | -173.1 | 71.5 | 0 | 0 | 0 | 111.6 | P637 Q638 L641 W696 D703 F704 D707 R713 M714 | P637-L710 HydrophobicContact CB-CD1 4.39Å; P637-L710 HydrophobicContact CB-CD2 3.72Å; Q638-L710 HydrophobicContact CG-CD1 4.34Å; L641-L710 HydrophobicContact CB-CD1 4.03Å; L641-L710 HydrophobicContact CD2-CD1 3.76Å; W696-L710 HydrophobicContact CH2-CD1 4.49Å; W696-L710 HydrophobicContact CZ2-CD2 4.21Å; D703-L710 HydrophobicContact CB-CD2 3.83Å; F704-L710 HydrophobicContact CD1-CB 4.37Å; F704-L710 HydrophobicContact CD1-CD2 3.83Å; F704-L710 HydrophobicContact CD1-CG 3.79Å; F704-L710 HydrophobicContact CE1-CD2 3.96Å; F704-L710 HydrophobicContact CE1-CG 3.86Å; F704-L710 HydrophobicContact CG-CD2 4.47Å; D707-L710 HydrophobicContact CB-CB 3.8Å; D707-L710 VanDerWaalsContact O-CB 3.31Å; D707-L710 WeakPolarHBondContact O-CB 3.38Å; D707-L710 PolarHBondContact O-N 3.22Å; D707-L710 VanDerWaalsContact O-N 3.14Å; D707-L710 PolarHBondContact OD1-N 3.39Å; L710-R713 PolarHBondContact O-N 3.3Å; L710-M714 PolarHBondContact O-N 2.85Å |
| 711 | L | 96.6 | Very high | 94.4 | Very high | 19 Ų | 19 | 48.3 Ų | 48.3 | 10% | 0.099 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.6 | -46.2 | 177.1 | -176.7 | 55.9 | 0 | 0 | 0 | 111.6 | F701 F704 D707 A708 Y709 R713 M714 E715 I737 K741 | F701-L711 HydrophobicContact CE2-CD1 4.33Å; F704-L711 HydrophobicContact CB-CB 4.01Å; F704-L711 HydrophobicContact CB-CD1 4.06Å; F704-L711 HydrophobicContact CB-CG 4.46Å; F704-L711 HydrophobicContact CD1-CB 4.31Å; F704-L711 HydrophobicContact CD1-CD1 4.26Å; F704-L711 HydrophobicContact CG-CD1 4.3Å; D707-L711 PolarHBondContact O-N 3.45Å; A708-L711 PolarHBondContact O-N 2.81Å; Y709-L711 VanDerWaalsContact C-N 3.34Å; L711-R713 PolarHBondContact O-N 3.33Å; L711-M714 WeakPolarHBondContact O-CB 3.28Å; L711-M714 PolarHBondContact O-N 3.23Å; L711-E715 HydrophobicContact CD1-CG 4.39Å; L711-E715 PolarHBondContact O-N 3.11Å; L711-I737 HydrophobicContact CD1-CG2 3.98Å; L711-K741 HydrophobicContact CD2-CD 4.38Å; L711-K741 HydrophobicContact CD2-CG 4.41Å |
| 712 | Q | 97.1 | Very high | 94.2 | Very high | 93 Ų | 93 | 58.6 Ų | 58.6 | 44% | 0.435 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 177.3 | -178.4 | -176.8 | -8.5 | 0 | 0 | 111.3 | A708 Y709 M714 E715 E716 | A708-Q712 PolarHBondContact O-N 3.11Å; Y709-Q712 PolarHBondContact O-N 3.24Å; Q712-M714 VanDerWaalsContact C-N 3.28Å; Q712-M714 PolarHBondContact O-N 2.93Å; Q712-E715 PolarHBondContact O-N 3.07Å; Q712-E716 HydrophobicContact CG-CG 4.42Å; Q712-E716 WeakPolarHBondContact CG-OE1 3.45Å; Q712-E716 PolarHBondContact NE2-OE1 2.98Å; Q712-E716 WeakPolarHBondContact O-CB 3.06Å; Q712-E716 WeakPolarHBondContact O-CG 3.36Å; Q712-E716 PolarHBondContact O-N 2.85Å |
| 713 | R | 97.8 | Very high | 94 | Very high | 46 Ų | 46 | 60 Ų | 60 | 17% | 0.174 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.3 | -36.2 | 177.2 | -72.9 | -175.8 | 67.4 | -155.3 | 1.6 | 112.6 | Q638 L641 S642 Y709 L710 L711 F717 | Q638-R713 PolarHBondContact O-NH1 3.31Å; L641-R713 HydrophobicContact CD2-CB 3.48Å; L641-R713 VanDerWaalsContact CD2-CB 3.48Å; S642-R713 PolarHBondContact OG-NH1 3.16Å; S642-R713 PolarHBondContact OG-NH2 3.44Å; Y709-R713 HydrophobicContact CE1-CG 4.12Å; Y709-R713 HydrophobicContact CE2-CG 4.22Å; Y709-R713 WeakPolarHBondContact O-CG 3.4Å; Y709-R713 PolarHBondContact O-N 3.32Å; L710-R713 PolarHBondContact O-N 3.3Å; L711-R713 PolarHBondContact O-N 3.33Å; R713-F717 VanDerWaalsContact O-CB 3.27Å; R713-F717 WeakPolarHBondContact O-CB 3.41Å; R713-F717 PolarHBondContact O-N 3.45Å |
| 714 | M | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.5 | -46.7 | 175 | -178.4 | 62.7 | 78.2 | 0 | 0 | 111.2 | L641 C693 W696 V697 F704 L710 L711 Q712 E716 F717 I718 I737 | L641-M714 HydrophobicContact CD1-CE 3.79Å; L641-M714 HydrophobicContact CD1-SD 4.28Å; C693-M714 HydrophobicContact CB-CE 4.22Å; C693-M714 HydrophobicContact CB-SD 4.14Å; W696-M714 HydrophobicContact CE3-CE 3.87Å; W696-M714 HydrophobicContact CZ3-CE 4.12Å; V697-M714 HydrophobicContact CG2-CG 4.35Å; F704-M714 HydrophobicContact CD1-CB 4.47Å; F704-M714 HydrophobicContact CE1-CB 3.92Å; F704-M714 HydrophobicContact CE1-CE 3.91Å; F704-M714 HydrophobicContact CE1-CG 4.13Å; F704-M714 HydrophobicContact CZ-CE 3.77Å; L710-M714 PolarHBondContact O-N 2.85Å; L711-M714 WeakPolarHBondContact O-CB 3.28Å; L711-M714 PolarHBondContact O-N 3.23Å; Q712-M714 VanDerWaalsContact C-N 3.28Å; Q712-M714 PolarHBondContact O-N 2.93Å; M714-E716 PolarHBondContact O-N 3.37Å; M714-F717 PolarHBondContact O-N 3.32Å; M714-F717 HydrophobicContact SD-CD1 4.39Å; M714-I718 HydrophobicContact CG-CG1 4.45Å; M714-I718 WeakPolarHBondContact O-CB 3.34Å; M714-I718 VanDerWaalsContact O-CG1 3.23Å; M714-I718 WeakPolarHBondContact O-CG1 3.36Å; M714-I718 PolarHBondContact O-N 3.29Å; M714-I718 HydrophobicContact SD-CD1 4.39Å; M714-I718 HydrophobicContact SD-CG1 4.02Å; M714-I737 HydrophobicContact CG-CD1 4.15Å |
| 715 | E | 96.6 | Very high | 92.6 | Very high | 60 Ų | 60 | 70.6 Ų | 70.6 | 28% | 0.28 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 176.3 | -72.2 | 178.4 | 146.8 | 0 | 0 | 111.6 | L711 Q712 G719 I737 K741 | L711-E715 HydrophobicContact CD1-CG 4.39Å; L711-E715 PolarHBondContact O-N 3.11Å; Q712-E715 PolarHBondContact O-N 3.07Å; E715-G719 PolarHBondContact O-N 3.39Å; E715-I737 HydrophobicContact CG-CD1 4.25Å; E715-I737 HydrophobicContact CG-CG2 4Å; E715-I737 WeakPolarHBondContact OE1-CG2 3.45Å; E715-K741 IonicContact OE1-NZ 2.86Å; E715-K741 PolarHBondContact OE1-NZ 3.04Å; E715-K741 IonicContact OE2-NZ 3.21Å |
| 716 | E | 96.7 | Very high | 92.4 | Very high | 103 Ų | 103 | 66.7 Ų | 66.7 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.9 | -51.1 | 175.7 | -74.5 | 174 | -171.7 | 0 | 0 | 111.3 | Q712 M714 I718 G719 T720 | Q712-E716 HydrophobicContact CG-CG 4.42Å; Q712-E716 WeakPolarHBondContact CG-OE1 3.45Å; Q712-E716 PolarHBondContact NE2-OE1 2.98Å; Q712-E716 WeakPolarHBondContact O-CB 3.06Å; Q712-E716 WeakPolarHBondContact O-CG 3.36Å; Q712-E716 PolarHBondContact O-N 2.85Å; M714-E716 PolarHBondContact O-N 3.37Å; E716-I718 PolarHBondContact O-N 3.48Å; E716-G719 PolarHBondContact O-N 2.82Å; E716-T720 VanDerWaalsContact O-CG2 3.28Å; E716-T720 WeakPolarHBondContact O-CG2 3.34Å; E716-T720 PolarHBondContact O-N 3.35Å |
| 717 | F | 97.1 | Very high | 92.4 | Very high | 12 Ų | 12 | 67 Ų | 67 | 5% | 0.053 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -54.5 | -55 | 177.8 | 168.3 | -121.3 | 0 | 0 | 0 | 111.3 | I645 F648 V689 R713 M714 G719 T720 V721 | I645-F717 HydrophobicContact CD1-CB 4.15Å; I645-F717 HydrophobicContact CD1-CD2 4.26Å; I645-F717 HydrophobicContact CD1-CG 4.16Å; I645-F717 HydrophobicContact CG1-CB 4.39Å; I645-F717 HydrophobicContact CG1-CD1 4.25Å; I645-F717 HydrophobicContact CG1-CD2 3.69Å; I645-F717 HydrophobicContact CG1-CE1 4.49Å; I645-F717 HydrophobicContact CG1-CE2 3.96Å; I645-F717 HydrophobicContact CG1-CG 3.84Å; I645-F717 HydrophobicContact CG1-CZ 4.35Å; I645-F717 HydrophobicContact CG2-CD2 4.4Å; I645-F717 HydrophobicContact CG2-CE2 4.46Å; F648-F717 HydrophobicContact CB-CE2 4.26Å; F648-F717 HydrophobicContact CB-CZ 4.03Å; F648-F717 AromaticContact CD1-CE2 3.96Å; F648-F717 HydrophobicContact CD1-CE2 3.96Å; F648-F717 HydrophobicContact CD1-CZ 4.12Å; F648-F717 AromaticContact CD2-CZ 3.94Å; F648-F717 HydrophobicContact CD2-CZ 3.94Å; F648-F717 HydrophobicContact CE2-CZ 4.47Å; F648-F717 HydrophobicContact CG-CE2 4.02Å; F648-F717 AromaticContact CG-CZ 3.76Å; F648-F717 HydrophobicContact CG-CZ 3.76Å; V689-F717 HydrophobicContact CG1-CZ 4.38Å; R713-F717 VanDerWaalsContact O-CB 3.27Å; R713-F717 WeakPolarHBondContact O-CB 3.41Å; R713-F717 PolarHBondContact O-N 3.45Å; M714-F717 PolarHBondContact O-N 3.32Å; M714-F717 HydrophobicContact SD-CD1 4.39Å; F717-G719 VanDerWaalsContact C-N 3.27Å; F717-G719 PolarHBondContact O-N 2.98Å; F717-T720 PolarHBondContact O-N 3.08Å; F717-T720 PolarHBondContact O-OG1 3.22Å; F717-V721 HydrophobicContact CD2-CG2 4.44Å; F717-V721 HydrophobicContact CE2-CG2 4.06Å; F717-V721 HydrophobicContact CZ-CG2 4.19Å; F717-V721 WeakPolarHBondContact O-CG2 3.47Å; F717-V721 PolarHBondContact O-N 3.42Å |
| 718 | I | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.3 | -39.2 | -179.7 | -63.8 | -63.6 | 0 | 0 | 0 | 111 | L690 M714 E716 T720 V721 V730 I733 | L690-I718 HydrophobicContact CD2-CD1 3.82Å; M714-I718 HydrophobicContact CG-CG1 4.45Å; M714-I718 WeakPolarHBondContact O-CB 3.34Å; M714-I718 VanDerWaalsContact O-CG1 3.23Å; M714-I718 WeakPolarHBondContact O-CG1 3.36Å; M714-I718 PolarHBondContact O-N 3.29Å; M714-I718 HydrophobicContact SD-CD1 4.39Å; M714-I718 HydrophobicContact SD-CG1 4.02Å; E716-I718 PolarHBondContact O-N 3.48Å; I718-T720 VanDerWaalsContact C-N 3.31Å; I718-T720 PolarHBondContact O-N 3.24Å; I718-V721 PolarHBondContact O-N 3.03Å; I718-V730 HydrophobicContact CG2-CB 4.4Å; I718-V730 HydrophobicContact CG2-CG1 3.83Å; I718-V730 WeakPolarHBondContact O-CG1 3.32Å; I718-I733 HydrophobicContact CD1-CD1 4.1Å; I718-I733 HydrophobicContact CD1-CG2 4.04Å; I718-I733 HydrophobicContact CG1-CG2 4.04Å; I718-I733 HydrophobicContact CG2-CG2 4.39Å |
| 719 | G | 94.2 | Very high | 91.8 | Very high | 61 Ų | 61 | 65.1 Ų | 65.1 | 63% | 0.629 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -67.8 | -24 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | E715 E716 F717 | E715-G719 PolarHBondContact O-N 3.39Å; E716-G719 PolarHBondContact O-N 2.82Å; F717-G719 VanDerWaalsContact C-N 3.27Å; F717-G719 PolarHBondContact O-N 2.98Å |
| 720 | T | 94.3 | Very high | 91.7 | Very high | 89 Ų | 89 | 59.6 Ų | 59.6 | 55% | 0.546 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -85.7 | -13.8 | 175.3 | 65.6 | 0 | 0 | 0 | 0 | 114.4 | E716 F717 I718 R722 | E716-T720 VanDerWaalsContact O-CG2 3.28Å; E716-T720 WeakPolarHBondContact O-CG2 3.34Å; E716-T720 PolarHBondContact O-N 3.35Å; F717-T720 PolarHBondContact O-N 3.08Å; F717-T720 PolarHBondContact O-OG1 3.22Å; I718-T720 VanDerWaalsContact C-N 3.31Å; I718-T720 PolarHBondContact O-N 3.24Å; T720-R722 PolarHBondContact O-N 3.3Å |
| 721 | V | 93.2 | Very high | 91.4 | Very high | 18 Ų | 18 | 64.7 Ų | 64.7 | 11% | 0.109 | 33% | 0.33 | C | S | . | . | trans | -67.8 | 115.3 | 179.7 | 175.3 | 0 | 0 | 0 | 0 | 109.7 | F648 F717 I718 M726 V730 | F648-V721 HydrophobicContact CE1-CG1 4.19Å; F648-V721 HydrophobicContact CE1-CG2 3.91Å; F648-V721 HydrophobicContact CE2-CG2 4.47Å; F648-V721 HydrophobicContact CZ-CB 4.36Å; F648-V721 HydrophobicContact CZ-CG1 3.62Å; F648-V721 HydrophobicContact CZ-CG2 3.8Å; F717-V721 HydrophobicContact CD2-CG2 4.44Å; F717-V721 HydrophobicContact CE2-CG2 4.06Å; F717-V721 HydrophobicContact CZ-CG2 4.19Å; F717-V721 WeakPolarHBondContact O-CG2 3.47Å; F717-V721 PolarHBondContact O-N 3.42Å; I718-V721 PolarHBondContact O-N 3.03Å; V721-M726 HydrophobicContact CG1-CB 3.72Å; V721-M726 HydrophobicContact CG1-CG 4.24Å; V721-V730 HydrophobicContact CB-CG2 3.7Å; V721-V730 HydrophobicContact CG1-CG2 3.6Å | ||
| 722 | R | 88.6 | Confident | 91 | Very high | 229 Ų | 229 | 65.8 Ų | 65.8 | 86% | 0.864 | 34% | 0.339 | S | S | * | . | trans | -106.7 | 153.2 | 178.4 | -63.7 | -177.1 | -66.5 | -120 | -0.5 | 110.7 | T720 | T720-R722 PolarHBondContact O-N 3.3Š| ||
| 723 | G | 82.4 | Confident | 90.9 | Very high | 47 Ų | 47 | 61.4 Ų | 61.4 | 49% | 0.485 | 32% | 0.318 | S | S | . | . | trans | 131.1 | 139.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A725 M726 K727 | G723-A725 PolarHBondContact O-N 2.94Å; G723-M726 PolarHBondContact O-N 3.49Å; G723-M726 VanDerWaalsContact O-N 3.11Å; G723-K727 PolarHBondContact O-N 3.43Å; G723-K727 VanDerWaalsContact O-N 3.14Å | ||
| 724 | K | 80.8 | Confident | 90.7 | Very high | 185 Ų | 185 | 62 Ų | 62 | 80% | 0.804 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -41.1 | 179.2 | -68.2 | -168.9 | 174.4 | -162.9 | 0 | 111.7 | M726 | K724-M726 VanDerWaalsContact C-N 3.34Å; K724-M726 PolarHBondContact O-N 3.31Å |
| 725 | A | 75.8 | Confident | 90.5 | Very high | 46 Ų | 46 | 66.7 Ų | 66.7 | 38% | 0.38 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -44.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G723 W729 | G723-A725 PolarHBondContact O-N 2.94Å; A725-W729 VanDerWaalsContact O-CE3 3.24Å; A725-W729 WeakPolarHBondContact O-CZ3 3.49Å |
| 726 | M | 86.6 | Confident | 90.3 | Very high | 7 Ų | 7 | 64 Ų | 64 | 3% | 0.034 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -17.4 | -170.9 | -59.8 | -59.1 | 151.4 | 0 | 0 | 114.7 | Q683 Q686 L690 V721 G723 K724 K728 W729 V730 | Q683-M726 HydrophobicContact CG-CE 4.37Å; Q686-M726 HydrophobicContact CB-CE 3.89Å; Q686-M726 HydrophobicContact CB-SD 4.28Å; L690-M726 HydrophobicContact CD1-CB 4.33Å; L690-M726 HydrophobicContact CD1-CG 4.49Å; L690-M726 HydrophobicContact CD1-SD 3.8Å; V721-M726 HydrophobicContact CG1-CB 3.72Å; V721-M726 HydrophobicContact CG1-CG 4.24Å; G723-M726 PolarHBondContact O-N 3.49Å; G723-M726 VanDerWaalsContact O-N 3.11Å; K724-M726 VanDerWaalsContact C-N 3.34Å; K724-M726 PolarHBondContact O-N 3.31Å; M726-K728 VanDerWaalsContact C-N 3.35Å; M726-K728 PolarHBondContact O-N 3.08Å; M726-W729 PolarHBondContact O-N 2.72Å; M726-W729 VanDerWaalsContact O-N 3.13Å; M726-W729 HydrophobicContact SD-CE3 3.96Å; M726-W729 HydrophobicContact SD-CZ3 4.09Å; M726-V730 HydrophobicContact CB-CG2 4.48Å; M726-V730 WeakPolarHBondContact O-CG2 3.27Å; M726-V730 PolarHBondContact O-N 3.38Å |
| 727 | K | 88.2 | Confident | 90.1 | Very high | 129 Ų | 129 | 59.2 Ų | 59.2 | 56% | 0.561 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -52.2 | -47.6 | -171.3 | -176.1 | -177 | 169.6 | -167.7 | 0 | 113.1 | G723 W729 V730 E731 | G723-K727 PolarHBondContact O-N 3.43Å; G723-K727 VanDerWaalsContact O-N 3.14Å; K727-W729 VanDerWaalsContact C-N 3.34Å; K727-W729 PolarHBondContact O-N 2.76Å; K727-V730 PolarHBondContact O-N 3.41Å; K727-E731 WeakPolarHBondContact CE-OE1 3.46Å; K727-E731 IonicContact NZ-OE1 3.84Å; K727-E731 WeakPolarHBondContact O-CG 3.42Å; K727-E731 PolarHBondContact O-N 3.01Å |
| 728 | K | 86.1 | Confident | 89.9 | Confident | 60 Ų | 60 | 62.8 Ų | 62.8 | 26% | 0.261 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.3 | -44.7 | -179.4 | 179.8 | -179.7 | 169.1 | -174.5 | 0 | 112.3 | S281 M726 S732 | S281-K728 WeakPolarHBondContact OG-CE 3.21Å; S281-K728 PolarHBondContact OG-NZ 2.7Å; M726-K728 VanDerWaalsContact C-N 3.35Å; M726-K728 PolarHBondContact O-N 3.08Å; K728-S732 WeakPolarHBondContact O-CB 3.28Å; K728-S732 PolarHBondContact O-N 3.24Å |
| 729 | W | 89 | Confident | 89.6 | Confident | 27 Ų | 27 | 69.5 Ų | 69.5 | 10% | 0.102 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -75.2 | -34.6 | -179.4 | -59.7 | -67.6 | 0 | 0 | 0 | 112.4 | D265 M269 L687 L690 A725 M726 K727 S732 I733 | D265-W729 HydrophobicContact CB-CH2 4.11Å; D265-W729 HydrophobicContact CB-CZ2 3.9Å; M269-W729 HydrophobicContact CE-CB 4.44Å; M269-W729 HydrophobicContact CE-CG 4.02Å; L687-W729 HydrophobicContact CD1-CD2 3.69Å; L687-W729 VanDerWaalsContact CD1-CE2 3.49Å; L687-W729 HydrophobicContact CD1-CE3 3.6Å; L687-W729 HydrophobicContact CD1-CH2 3.27Å; L687-W729 HydrophobicContact CD1-CZ2 3.33Å; L687-W729 HydrophobicContact CD1-CZ3 3.38Å; L690-W729 HydrophobicContact CD1-CB 3.99Å; A725-W729 VanDerWaalsContact O-CE3 3.24Å; A725-W729 WeakPolarHBondContact O-CZ3 3.49Å; M726-W729 PolarHBondContact O-N 2.72Å; M726-W729 VanDerWaalsContact O-N 3.13Å; M726-W729 HydrophobicContact SD-CE3 3.96Å; M726-W729 HydrophobicContact SD-CZ3 4.09Å; K727-W729 VanDerWaalsContact C-N 3.34Å; K727-W729 PolarHBondContact O-N 2.76Å; W729-S732 PolarHBondContact O-N 3.27Å; W729-I733 WeakPolarHBondContact O-CB 3.39Å; W729-I733 VanDerWaalsContact O-CG1 3.28Å; W729-I733 WeakPolarHBondContact O-CG1 3.35Å; W729-I733 PolarHBondContact O-N 3.49Å |
| 730 | V | 93.6 | Very high | 89.4 | Confident | 20 Ų | 20 | 69.8 Ų | 69.8 | 12% | 0.121 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 172.4 | 168.1 | 0 | 0 | 0 | 0 | 111 | I718 V721 M726 K727 T734 | I718-V730 HydrophobicContact CG2-CB 4.4Å; I718-V730 HydrophobicContact CG2-CG1 3.83Å; I718-V730 WeakPolarHBondContact O-CG1 3.32Å; V721-V730 HydrophobicContact CB-CG2 3.7Å; V721-V730 HydrophobicContact CG1-CG2 3.6Å; M726-V730 HydrophobicContact CB-CG2 4.48Å; M726-V730 WeakPolarHBondContact O-CG2 3.27Å; M726-V730 PolarHBondContact O-N 3.38Å; K727-V730 PolarHBondContact O-N 3.41Å; V730-T734 WeakPolarHBondContact O-CB 3.34Å; V730-T734 PolarHBondContact O-N 3.31Å; V730-T734 PolarHBondContact O-OG1 3.4Å |
| 731 | E | 91.1 | Very high | 89.2 | Confident | 108 Ų | 108 | 68.7 Ų | 68.7 | 51% | 0.505 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 177 | -72.3 | 175.2 | 178.4 | 0 | 0 | 111.6 | K727 T734 K735 | K727-E731 WeakPolarHBondContact CE-OE1 3.46Å; K727-E731 IonicContact NZ-OE1 3.84Å; K727-E731 WeakPolarHBondContact O-CG 3.42Å; K727-E731 PolarHBondContact O-N 3.01Å; E731-T734 PolarHBondContact O-N 2.94Å; E731-K735 WeakPolarHBondContact O-CB 3.4Å; E731-K735 PolarHBondContact O-N 2.99Å |
| 732 | S | 89.2 | Confident | 88.9 | Confident | 42 Ų | 42 | 72.3 Ų | 72.3 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.6 | -50.9 | 176.3 | -172.9 | 0 | 0 | 0 | 0 | 112.5 | K728 W729 T734 K735 I736 | K728-S732 WeakPolarHBondContact O-CB 3.28Å; K728-S732 PolarHBondContact O-N 3.24Å; W729-S732 PolarHBondContact O-N 3.27Å; S732-T734 VanDerWaalsContact C-N 3.34Å; S732-T734 PolarHBondContact O-N 2.92Å; S732-K735 WeakPolarHBondContact O-CB 3.41Å; S732-K735 PolarHBondContact O-N 3.49Å; S732-I736 WeakPolarHBondContact O-CG1 3.41Å; S732-I736 PolarHBondContact O-N 3.49Å |
| 733 | I | 93.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 179.1 | -66.9 | 166.6 | 0 | 0 | 0 | 110.3 | L690 C693 R694 I718 W729 K735 I736 I737 | L690-I733 HydrophobicContact CB-CD1 3.99Å; L690-I733 HydrophobicContact CD2-CD1 4.15Å; L690-I733 WeakPolarHBondContact O-CD1 3.28Å; C693-I733 HydrophobicContact CB-CD1 4.37Å; R694-I733 HydrophobicContact CB-CD1 4.29Å; R694-I733 HydrophobicContact CB-CG1 4.02Å; R694-I733 HydrophobicContact CG-CG1 4.33Å; I718-I733 HydrophobicContact CD1-CD1 4.1Å; I718-I733 HydrophobicContact CD1-CG2 4.04Å; I718-I733 HydrophobicContact CG1-CG2 4.04Å; I718-I733 HydrophobicContact CG2-CG2 4.39Å; W729-I733 WeakPolarHBondContact O-CB 3.39Å; W729-I733 VanDerWaalsContact O-CG1 3.28Å; W729-I733 WeakPolarHBondContact O-CG1 3.35Å; W729-I733 PolarHBondContact O-N 3.49Å; I733-K735 VanDerWaalsContact C-N 3.34Å; I733-K735 PolarHBondContact O-N 3.37Å; I733-I736 WeakPolarHBondContact O-CB 3.38Å; I733-I736 PolarHBondContact O-N 2.84Å; I733-I736 VanDerWaalsContact O-N 3.13Å; I733-I737 HydrophobicContact CG2-CD1 4.01Å; I733-I737 HydrophobicContact CG2-CG1 4.39Å; I733-I737 WeakPolarHBondContact O-CG1 3.46Å; I733-I737 PolarHBondContact O-N 3.24Å |
| 734 | T | 95.1 | Very high | 88.1 | Confident | 58 Ų | 58 | 68.7 Ų | 68.7 | 36% | 0.356 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 175.8 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | V730 E731 S732 I736 I737 Q738 | V730-T734 WeakPolarHBondContact O-CB 3.34Å; V730-T734 PolarHBondContact O-N 3.31Å; V730-T734 PolarHBondContact O-OG1 3.4Å; E731-T734 PolarHBondContact O-N 2.94Å; S732-T734 VanDerWaalsContact C-N 3.34Å; S732-T734 PolarHBondContact O-N 2.92Å; T734-I736 VanDerWaalsContact C-N 3.33Å; T734-I736 PolarHBondContact O-N 2.65Å; T734-I737 PolarHBondContact O-N 2.77Å; T734-Q738 WeakPolarHBondContact O-CG 3.46Å; T734-Q738 PolarHBondContact O-N 3.42Å |
| 735 | K | 92.4 | Very high | 87.7 | Confident | 98 Ų | 98 | 65.7 Ų | 65.7 | 43% | 0.426 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 175.3 | -169.9 | 179.6 | -176.4 | -179.4 | 0 | 111.5 | E368 E731 S732 I733 R739 | E368-K735 IonicContact OE1-NZ 2.77Å; E368-K735 PolarHBondContact OE1-NZ 3.25Å; E368-K735 IonicContact OE2-NZ 3.35Å; E368-K735 PolarHBondContact OE2-NZ 3.2Å; E731-K735 WeakPolarHBondContact O-CB 3.4Å; E731-K735 PolarHBondContact O-N 2.99Å; S732-K735 WeakPolarHBondContact O-CB 3.41Å; S732-K735 PolarHBondContact O-N 3.49Å; I733-K735 VanDerWaalsContact C-N 3.34Å; I733-K735 PolarHBondContact O-N 3.37Å; K735-R739 WeakPolarHBondContact O-CB 3.46Å; K735-R739 VanDerWaalsContact O-CG 3.28Å; K735-R739 WeakPolarHBondContact O-CG 3.04Å; K735-R739 PolarHBondContact O-N 3.21Å |
| 736 | I | 91.6 | Very high | 87.1 | Confident | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.5 | -47.8 | 175.1 | -65.8 | 161.8 | 0 | 0 | 0 | 111 | R694 V697 E698 S732 I733 T734 Q738 R739 K740 | R694-I736 HydrophobicContact CG-CD1 3.8Å; V697-I736 HydrophobicContact CB-CG2 4.46Å; V697-I736 HydrophobicContact CG1-CG2 3.78Å; E698-I736 HydrophobicContact CB-CG2 4.41Å; S732-I736 WeakPolarHBondContact O-CG1 3.41Å; S732-I736 PolarHBondContact O-N 3.49Å; I733-I736 WeakPolarHBondContact O-CB 3.38Å; I733-I736 PolarHBondContact O-N 2.84Å; I733-I736 VanDerWaalsContact O-N 3.13Å; T734-I736 VanDerWaalsContact C-N 3.33Å; T734-I736 PolarHBondContact O-N 2.65Å; I736-Q738 VanDerWaalsContact C-N 3.34Å; I736-Q738 PolarHBondContact O-N 3.11Å; I736-R739 VanDerWaalsContact CG1-NH2 3.3Å; I736-R739 PolarHBondContact O-N 3.43Å; I736-K740 HydrophobicContact CG2-CG 4.42Å; I736-K740 WeakPolarHBondContact O-CG 3.43Å; I736-K740 PolarHBondContact O-N 3.03Å |
| 737 | I | 93.6 | Very high | 85.5 | Confident | 3 Ų | 3 | 71.1 Ų | 71.1 | 2% | 0.015 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56 | -49 | 177.8 | -69.1 | 170.2 | 0 | 0 | 0 | 110.3 | V697 L711 M714 E715 I733 T734 R739 K740 K741 | V697-I737 HydrophobicContact CB-CG1 4.41Å; V697-I737 HydrophobicContact CG1-CB 4.4Å; V697-I737 HydrophobicContact CG1-CG1 3.57Å; V697-I737 HydrophobicContact CG2-CD1 4.4Å; V697-I737 HydrophobicContact CG2-CG1 3.99Å; L711-I737 HydrophobicContact CD1-CG2 3.98Å; M714-I737 HydrophobicContact CG-CD1 4.15Å; E715-I737 HydrophobicContact CG-CD1 4.25Å; E715-I737 HydrophobicContact CG-CG2 4Å; E715-I737 WeakPolarHBondContact OE1-CG2 3.45Å; I733-I737 HydrophobicContact CG2-CD1 4.01Å; I733-I737 HydrophobicContact CG2-CG1 4.39Å; I733-I737 WeakPolarHBondContact O-CG1 3.46Å; I733-I737 PolarHBondContact O-N 3.24Å; T734-I737 PolarHBondContact O-N 2.77Å; I737-R739 PolarHBondContact O-N 2.98Å; I737-K740 PolarHBondContact O-N 3.24Å; I737-K741 HydrophobicContact CG2-CD 3.92Å; I737-K741 WeakPolarHBondContact O-CG 3.25Å; I737-K741 PolarHBondContact O-N 3.1Å |
| 738 | Q | 93 | Very high | 83.9 | Confident | 86 Ų | 86 | 70.5 Ų | 70.5 | 40% | 0.402 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 179 | -63.5 | -56.7 | -22.6 | 0 | 0 | 112.2 | T734 I736 K740 K741 I742 | T734-Q738 WeakPolarHBondContact O-CG 3.46Å; T734-Q738 PolarHBondContact O-N 3.42Å; I736-Q738 VanDerWaalsContact C-N 3.34Å; I736-Q738 PolarHBondContact O-N 3.11Å; Q738-K740 VanDerWaalsContact C-N 3.32Å; Q738-K740 PolarHBondContact O-N 2.92Å; Q738-K741 PolarHBondContact O-N 3.45Å; Q738-I742 VanDerWaalsContact O-CG1 3.29Å; Q738-I742 WeakPolarHBondContact O-CG1 3.33Å; Q738-I742 PolarHBondContact O-N 3.37Å |
| 739 | R | 89.9 | Confident | 81.6 | Confident | 142 Ų | 142 | 71 Ų | 71 | 54% | 0.536 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 175.4 | -76.4 | -172.6 | -62.3 | 170.9 | 1.5 | 112.2 | K735 I736 I737 I742 A743 | K735-R739 WeakPolarHBondContact O-CB 3.46Å; K735-R739 VanDerWaalsContact O-CG 3.28Å; K735-R739 WeakPolarHBondContact O-CG 3.04Å; K735-R739 PolarHBondContact O-N 3.21Å; I736-R739 VanDerWaalsContact CG1-NH2 3.3Å; I736-R739 PolarHBondContact O-N 3.43Å; I737-R739 PolarHBondContact O-N 2.98Å; R739-I742 PolarHBondContact O-N 3.43Å; R739-A743 WeakPolarHBondContact O-CB 3.36Å; R739-A743 PolarHBondContact O-N 2.89Å |
| 740 | K | 89.6 | Confident | 79.9 | Confident | 67 Ų | 67 | 77.4 Ų | 77.4 | 29% | 0.291 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 177.8 | -73 | -67.6 | -168.7 | 177.3 | 0 | 112.6 | V697 E698 F701 I736 I737 Q738 A743 R744 | V697-K740 HydrophobicContact CG1-CG 4.46Å; E698-K740 WeakPolarHBondContact O-CE 3.41Å; E698-K740 PolarHBondContact O-NZ 2.87Å; F701-K740 HydrophobicContact CB-CD 4.36Å; F701-K740 HydrophobicContact CD1-CB 3.94Å; F701-K740 HydrophobicContact CD2-CB 3.73Å; F701-K740 HydrophobicContact CD2-CG 3.94Å; F701-K740 HydrophobicContact CE1-CB 3.78Å; F701-K740 HydrophobicContact CE2-CB 3.55Å; F701-K740 HydrophobicContact CE2-CG 4.24Å; F701-K740 HydrophobicContact CG-CB 3.93Å; F701-K740 HydrophobicContact CG-CD 4.23Å; F701-K740 HydrophobicContact CG-CG 4.11Å; F701-K740 HydrophobicContact CZ-CB 3.59Å; I736-K740 HydrophobicContact CG2-CG 4.42Å; I736-K740 WeakPolarHBondContact O-CG 3.43Å; I736-K740 PolarHBondContact O-N 3.03Å; I737-K740 PolarHBondContact O-N 3.24Å; Q738-K740 VanDerWaalsContact C-N 3.32Å; Q738-K740 PolarHBondContact O-N 2.92Å; K740-A743 PolarHBondContact O-N 2.71Å; K740-R744 PolarHBondContact O-N 2.7Å; K740-R744 VanDerWaalsContact O-N 3.1Å |
| 741 | K | 89.4 | Confident | 78.2 | Confident | 66 Ų | 66 | 83.9 Ų | 83.9 | 29% | 0.287 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 173.4 | -68.3 | 167.4 | 81.2 | 170.1 | 0 | 111.3 | F701 L711 E715 I737 Q738 A743 R744 D745 | F701-K741 HydrophobicContact CZ-CG 4.32Å; L711-K741 HydrophobicContact CD2-CD 4.38Å; L711-K741 HydrophobicContact CD2-CG 4.41Å; E715-K741 IonicContact OE1-NZ 2.86Å; E715-K741 PolarHBondContact OE1-NZ 3.04Å; E715-K741 IonicContact OE2-NZ 3.21Å; I737-K741 HydrophobicContact CG2-CD 3.92Å; I737-K741 WeakPolarHBondContact O-CG 3.25Å; I737-K741 PolarHBondContact O-N 3.1Å; Q738-K741 PolarHBondContact O-N 3.45Å; K741-A743 PolarHBondContact O-N 3.07Å; K741-R744 WeakPolarHBondContact O-CB 3.31Å; K741-R744 PolarHBondContact O-N 3.26Å; K741-D745 PolarHBondContact O-N 2.92Å |
| 742 | I | 87.7 | Confident | 77 | Confident | 94 Ų | 94 | 83 Ų | 83 | 48% | 0.482 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 178.5 | -62.1 | 162.2 | 0 | 0 | 0 | 111.7 | Q738 R739 R744 D745 N746 | Q738-I742 VanDerWaalsContact O-CG1 3.29Å; Q738-I742 WeakPolarHBondContact O-CG1 3.33Å; Q738-I742 PolarHBondContact O-N 3.37Å; R739-I742 PolarHBondContact O-N 3.43Å; I742-R744 VanDerWaalsContact C-N 3.27Å; I742-R744 PolarHBondContact O-N 2.88Å; I742-D745 PolarHBondContact O-N 3.38Å; I742-N746 PolarHBondContact O-N 3.25Å |
| 743 | A | 80.2 | Confident | 75.8 | Confident | 46 Ų | 46 | 87.4 Ų | 87.4 | 38% | 0.38 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.9 | -31.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R739 K740 K741 G747 | R739-A743 WeakPolarHBondContact O-CB 3.36Å; R739-A743 PolarHBondContact O-N 2.89Å; K740-A743 PolarHBondContact O-N 2.71Å; K741-A743 PolarHBondContact O-N 3.07Å; A743-G747 CarbonylContact O-C 3.16Å; A743-G747 VanDerWaalsContact O-CA 3.31Å; A743-G747 WeakPolarHBondContact O-CA 3.49Å; A743-G747 PolarHBondContact O-N 3.31Å; A743-G747 VanDerWaalsContact O-N 3.17Å |
| 744 | R | 72.9 | Confident | 75 | Confident | 153 Ų | 153 | 90.9 Ų | 90.9 | 58% | 0.577 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.2 | -44.7 | 171.9 | 176.3 | -175.1 | 161.4 | -167.1 | -3.7 | 111.5 | K740 K741 I742 | K740-R744 PolarHBondContact O-N 2.7Å; K740-R744 VanDerWaalsContact O-N 3.1Å; K741-R744 WeakPolarHBondContact O-CB 3.31Å; K741-R744 PolarHBondContact O-N 3.26Å; I742-R744 VanDerWaalsContact C-N 3.27Å; I742-R744 PolarHBondContact O-N 2.88Å |
| 745 | D | 72.8 | Confident | 74.1 | Confident | 123 Ų | 123 | 96.9 Ų | 96.9 | 66% | 0.658 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.8 | -38.3 | -174.7 | -67.2 | -19.8 | 0 | 0 | 0 | 112.8 | K741 I742 | K741-D745 PolarHBondContact O-N 2.92Å; I742-D745 PolarHBondContact O-N 3.38Å |
| 746 | N | 62.8 | Low | 73.5 | Confident | 137 Ų | 137 | 96.1 Ų | 96.1 | 73% | 0.733 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -97.6 | 0.7 | -177 | -69.7 | -27.5 | 0 | 0 | 0 | 114.1 | I742 | I742-N746 PolarHBondContact O-N 3.25Å |
| 747 | G | 54.4 | Low | 73.2 | Confident | 30 Ų | 30 | 101.2 Ų | 101.2 | 31% | 0.309 | 55% | 0.55 | S | S | . | * | trans | 70.6 | 164.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A743 G749 | A743-G747 CarbonylContact O-C 3.16Å; A743-G747 VanDerWaalsContact O-CA 3.31Å; A743-G747 WeakPolarHBondContact O-CA 3.49Å; A743-G747 PolarHBondContact O-N 3.31Å; A743-G747 VanDerWaalsContact O-N 3.17Å; G747-G749 PolarHBondContact O-N 3.14Å | ||
| 748 | P | 53.2 | Low | 73.1 | Confident | 116 Ų | 116 | 103.1 Ų | 103.1 | 75% | 0.753 | 56% | 0.562 | S | S | * | * | trans | -68.3 | 92.2 | -179.3 | 26.7 | -32.3 | 0 | 0 | 0 | 110.6 | H750 | P748-H750 PolarHBondContact O-N 2.94Š| ||
| 749 | G | 39.5 | Very low | 73.1 | Confident | 70 Ų | 70 | 101.4 Ų | 101.4 | 72% | 0.722 | 56% | 0.559 | S | S | * | * | trans | -71.8 | 37.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G747 N751 | G747-G749 PolarHBondContact O-N 3.14Å; G749-N751 PolarHBondContact O-N 3.46Å | ||
| 750 | H | 53.7 | Low | 73.2 | Confident | 162 Ų | 162 | 97.8 Ų | 97.8 | 75% | 0.75 | 55% | 0.553 | S | S | * | * | trans | -72.2 | 97.7 | 175.4 | -94 | -71.1 | 0 | 0 | 0 | 109.4 | P748 I752 | P748-H750 PolarHBondContact O-N 2.94Å; H750-I752 PolarHBondContact O-N 3.33Å | ||
| 751 | N | 56.6 | Low | 73.5 | Confident | 156 Ų | 156 | 96 Ų | 96 | 83% | 0.834 | 55% | 0.547 | S | S | * | . | trans | -68.1 | 101.5 | 165.2 | -75 | -31.8 | 0 | 0 | 0 | 108.4 | G749 T753 | G749-N751 PolarHBondContact O-N 3.46Å; N751-T753 PolarHBondContact O-N 3.21Å | ||
| 752 | I | 65.7 | Low | 73.7 | Confident | 88 Ų | 88 | 93.6 Ų | 93.6 | 45% | 0.451 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 116.4 | 172.5 | -62.9 | 161.5 | 0 | 0 | 0 | 107.8 | H750 F754 P978 | H750-I752 PolarHBondContact O-N 3.33Å; I752-F754 HydrophobicContact CB-CE2 4.14Å; I752-F754 HydrophobicContact CB-CZ 4.32Å; I752-F754 HydrophobicContact CG2-CD1 4.27Å; I752-F754 HydrophobicContact CG2-CD2 4.07Å; I752-F754 HydrophobicContact CG2-CE1 3.85Å; I752-F754 HydrophobicContact CG2-CE2 3.62Å; I752-F754 HydrophobicContact CG2-CG 4.39Å; I752-F754 HydrophobicContact CG2-CZ 3.5Å; I752-F754 VanDerWaalsContact CG2-CZ 3.5Å; I752-P978 HydrophobicContact CD1-CB 3.84Å; I752-P978 HydrophobicContact CD1-CG 3.86Å; I752-P978 HydrophobicContact CG1-CG 4.33Å; I752-P978 HydrophobicContact CG2-CB 4.5Å; I752-P978 HydrophobicContact CG2-CG 3.55Å |
| 753 | T | 65.4 | Low | 74.1 | Confident | 135 Ų | 135 | 92.2 Ų | 92.2 | 83% | 0.828 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -87.7 | 118.3 | 171.2 | -55.1 | 0 | 0 | 0 | 0 | 109.1 | N751 | N751-T753 PolarHBondContact O-N 3.21Š|
| 754 | F | 76.5 | Confident | 74.8 | Confident | 74 Ų | 74 | 91.6 Ų | 91.6 | 33% | 0.325 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -94.4 | 148.3 | 173.2 | -64.3 | -81.8 | 0 | 0 | 0 | 110.7 | I752 S756 P978 Y979 C980 | I752-F754 HydrophobicContact CB-CE2 4.14Å; I752-F754 HydrophobicContact CB-CZ 4.32Å; I752-F754 HydrophobicContact CG2-CD1 4.27Å; I752-F754 HydrophobicContact CG2-CD2 4.07Å; I752-F754 HydrophobicContact CG2-CE1 3.85Å; I752-F754 HydrophobicContact CG2-CE2 3.62Å; I752-F754 HydrophobicContact CG2-CG 4.39Å; I752-F754 HydrophobicContact CG2-CZ 3.5Å; I752-F754 VanDerWaalsContact CG2-CZ 3.5Å; F754-S756 WeakPolarHBondContact CB-O 3.46Å; F754-S756 PolarHBondContact O-N 2.77Å; F754-P978 HydrophobicContact CE1-CB 4.34Å; F754-P978 HydrophobicContact CE1-CG 3.91Å; F754-P978 HydrophobicContact CZ-CB 4.25Å; F754-P978 HydrophobicContact CZ-CG 4.1Å; F754-Y979 VanDerWaalsContact CZ-O 3.24Å; F754-Y979 WeakPolarHBondContact CZ-O 3.29Å; F754-C980 HydrophobicContact CD1-CB 3.68Å; F754-C980 HydrophobicContact CE1-CB 3.87Å; F754-C980 HydrophobicContact CG-CB 4.24Å |
| 755 | Q | 75.6 | Confident | 75.9 | Confident | 184 Ų | 184 | 87 Ų | 87 | 86% | 0.86 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -68.3 | -26.1 | 174.5 | -68.2 | 178.2 | -2.5 | 0 | 0 | 112.6 | ||
| 756 | S | 80.4 | Confident | 76.9 | Confident | 83 Ų | 83 | 81.2 Ų | 81.2 | 58% | 0.58 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -130.1 | 156.3 | -176.5 | 1.8 | 0 | 0 | 0 | 0 | 111 | F754 C980 | F754-S756 WeakPolarHBondContact CB-O 3.46Å; F754-S756 PolarHBondContact O-N 2.77Å; S756-C980 PolarHBondContact O-SG 2.97Å; S756-C980 VanDerWaalsContact O-SG 3.34Å |
| 757 | S | 85.3 | Confident | 78.3 | Confident | 111 Ų | 111 | 82.1 Ų | 82.1 | 78% | 0.776 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 141.5 | 174.8 | -61.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 758 | P | 90.1 | Very high | 80.2 | Confident | 42 Ų | 42 | 84.2 Ų | 84.2 | 27% | 0.273 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 150.2 | 175.6 | 27.8 | -34.9 | 0 | 0 | 0 | 111.2 | R982 | P758-R982 HydrophobicContact CB-CB 4.42Å; P758-R982 HydrophobicContact CG-CB 4.5Å |
| 759 | P | 92.6 | Very high | 81.9 | Confident | 51 Ų | 51 | 80.9 Ų | 80.9 | 33% | 0.331 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 159.2 | 178.5 | 28.2 | -34.7 | 0 | 0 | 0 | 112 | C980 L981 | P759-C980 VanDerWaalsContact CD-O 3.25Å; P759-C980 WeakPolarHBondContact CD-O 3.42Å; P759-L981 HydrophobicContact CG-CD2 3.62Å |
| 760 | T | 93.4 | Very high | 84.5 | Confident | 66 Ų | 66 | 82 Ų | 82 | 41% | 0.405 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 140 | 176.1 | 49.7 | 0 | 0 | 0 | 0 | 111.4 | E762 R786 P1045 | T760-E762 PolarHBondContact O-N 3.34Å; T760-R786 PolarHBondContact O-NH1 3.27Å; T760-P1045 HydrophobicContact CG2-CG 4.41Å |
| 761 | V | 94.9 | Very high | 86.4 | Confident | 30 Ų | 30 | 78.3 Ų | 78.3 | 18% | 0.182 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 126.7 | 174 | 176.2 | 0 | 0 | 0 | 0 | 109.2 | W763 E783 R982 E984 | V761-W763 HydrophobicContact CG1-CZ2 4.16Å; V761-E783 WeakPolarHBondContact CA-OE2 3.47Å; V761-E783 HydrophobicContact CG1-CG 3.88Å; V761-R982 HydrophobicContact CG2-CB 4.3Å; V761-R982 HydrophobicContact CG2-CG 4.4Å; V761-E984 HydrophobicContact CG1-CB 4.42Å; V761-E984 HydrophobicContact CG1-CG 3.97Å |
| 762 | E | 95.2 | Very high | 88.1 | Confident | 14 Ų | 14 | 77.6 Ų | 77.6 | 7% | 0.065 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -93 | 131.8 | -178.5 | -59.1 | -73.9 | 173.7 | 0 | 0 | 110.7 | T760 H780 I782 E783 S1043 | T760-E762 PolarHBondContact O-N 3.34Å; E762-H780 HydrophobicContact CB-CB 4.08Å; E762-H780 WeakPolarHBondContact O-CB 3.47Å; E762-I782 HydrophobicContact CG-CG2 4.49Å; E762-E783 PolarHBondContact N-OE2 3.14Å; E762-E783 WeakPolarHBondContact O-CB 2.89Å; E762-S1043 PolarHBondContact OE1-N 3.08Å; E762-S1043 WeakPolarHBondContact OE2-CB 3.21Å; E762-S1043 PolarHBondContact OE2-OG 3.19Å |
| 763 | W | 95.6 | Very high | 89.4 | Confident | 65 Ų | 65 | 76.1 Ų | 76.1 | 25% | 0.246 | 42% | 0.416 | C | S | . | . | trans | -115.6 | 150.6 | 179 | -68.8 | 92.1 | 0 | 0 | 0 | 111.3 | V761 P768 F774 E984 I987 | V761-W763 HydrophobicContact CG1-CZ2 4.16Å; W763-P768 HydrophobicContact CD2-CB 4.44Å; W763-P768 HydrophobicContact CD2-CG 3.72Å; W763-P768 VanDerWaalsContact CE2-CG 3.48Å; W763-P768 HydrophobicContact CE3-CG 4.17Å; W763-P768 HydrophobicContact CG-CG 4.18Å; W763-P768 VanDerWaalsContact CH2-CA 3.44Å; W763-P768 HydrophobicContact CH2-CB 3.91Å; W763-P768 HydrophobicContact CH2-CG 4.24Å; W763-P768 HydrophobicContact CZ2-CB 3.69Å; W763-P768 HydrophobicContact CZ2-CG 3.76Å; W763-P768 HydrophobicContact CZ3-CB 4.35Å; W763-P768 HydrophobicContact CZ3-CG 4.42Å; W763-F774 HydrophobicContact CH2-CZ 4.32Å; W763-F774 HydrophobicContact CZ3-CE1 4.22Å; W763-F774 HydrophobicContact CZ3-CZ 4.01Å; W763-E984 HydrophobicContact CH2-CG 4.09Å; W763-E984 HydrophobicContact CZ2-CG 3.79Å; W763-I987 HydrophobicContact CH2-CD1 4.11Å; W763-I987 HydrophobicContact CH2-CG1 4.43Å; W763-I987 HydrophobicContact CZ3-CD1 4.27Å | ||
| 764 | H | 94.6 | Very high | 91 | Very high | 34 Ų | 34 | 70.3 Ų | 70.3 | 16% | 0.157 | 38% | 0.38 | C | S | . | . | trans | -123.7 | -127 | 179.1 | -174.1 | 43.6 | 0 | 0 | 0 | 111.6 | L777 T778 H780 P1038 | H764-L777 PolarHBondContact CD2-O 3.15Å; H764-T778 WeakPolarHBondContact CB-O 3.32Å; H764-T778 PolarHBondContact CD2-O 2.78Å; H764-H780 HydrophobicContact CB-CB 3.94Å; H764-P1038 HydrophobicContact CB-CG 4.45Å | ||
| 765 | I | 95.1 | Very high | 91.9 | Very high | 56 Ų | 56 | 69 Ų | 69 | 29% | 0.287 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -67.1 | -47.9 | -178.1 | -67.7 | 161.1 | 0 | 0 | 0 | 109.2 | R767 T778 Y1033 P1034 | I765-R767 PolarHBondContact O-N 3.22Å; I765-T778 HydrophobicContact CG2-CG2 4.39Å; I765-T778 PolarHBondContact N-O 3.41Å; I765-Y1033 HydrophobicContact CD1-CD2 3.86Å; I765-Y1033 HydrophobicContact CD1-CG 4.3Å; I765-P1034 WeakPolarHBondContact CD1-O 3.36Å |
| 766 | S | 94.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.014 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -67.1 | 128.3 | 171.2 | -65.7 | 0 | 0 | 0 | 0 | 110 | T773 T778 | S766-T773 VanDerWaalsContact CB-OG1 3.31Å; S766-T773 WeakPolarHBondContact CB-OG1 3.44Å; S766-T773 PolarHBondContact OG-O 2.9Å; S766-T773 PolarHBondContact OG-OG1 3.03Å; S766-T778 PolarHBondContact N-O 3.01Å; S766-T778 VanDerWaalsContact N-O 3.08Å; S766-T778 VanDerWaalsContact OG-CB 3.23Å; S766-T778 WeakPolarHBondContact OG-CB 3.36Å; S766-T778 PolarHBondContact OG-OG1 2.74Å; S766-T778 VanDerWaalsContact OG-OG1 3.11Å |
| 767 | R | 92.7 | Very high | 93.7 | Very high | 156 Ų | 156 | 56.2 Ų | 56.2 | 59% | 0.589 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -92.4 | 157.6 | 176.5 | -60.9 | -57.1 | -174.6 | -174.5 | -1.1 | 110 | I765 G769 H770 | I765-R767 PolarHBondContact O-N 3.22Å; R767-G769 PolarHBondContact O-N 2.61Å; R767-H770 PolarHBondContact O-N 3.38Å; R767-H770 VanDerWaalsContact O-N 3.16Å; R767-H770 PolarHBondContact O-ND1 2.98Å |
| 768 | P | 93.2 | Very high | 94.3 | Very high | 74 Ų | 74 | 51.2 Ų | 51.2 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | 136.7 | 175 | -18.4 | 21.4 | 0 | 0 | 0 | 112.3 | W763 H770 | W763-P768 HydrophobicContact CD2-CB 4.44Å; W763-P768 HydrophobicContact CD2-CG 3.72Å; W763-P768 VanDerWaalsContact CE2-CG 3.48Å; W763-P768 HydrophobicContact CE3-CG 4.17Å; W763-P768 HydrophobicContact CG-CG 4.18Å; W763-P768 VanDerWaalsContact CH2-CA 3.44Å; W763-P768 HydrophobicContact CH2-CB 3.91Å; W763-P768 HydrophobicContact CH2-CG 4.24Å; W763-P768 HydrophobicContact CZ2-CB 3.69Å; W763-P768 HydrophobicContact CZ2-CG 3.76Å; W763-P768 HydrophobicContact CZ3-CB 4.35Å; W763-P768 HydrophobicContact CZ3-CG 4.42Å; P768-H770 VanDerWaalsContact C-N 3.3Å; P768-H770 PolarHBondContact O-N 3.41Å; P768-H770 PolarHBondContact O-ND1 2.96Å; P768-H770 VanDerWaalsContact O-ND1 3.09Å |
| 769 | G | 90.1 | Very high | 94.6 | Very high | 45 Ų | 45 | 49.3 Ų | 49.3 | 46% | 0.464 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | -9.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | R767 I771 | R767-G769 PolarHBondContact O-N 2.61Å; G769-I771 VanDerWaalsContact C-N 3.33Å; G769-I771 PolarHBondContact O-N 3.45Å |
| 770 | H | 93.3 | Very high | 94.9 | Very high | 94 Ų | 94 | 47.4 Ų | 47.4 | 44% | 0.435 | 25% | 0.246 | S | C | . | . | trans | -92.2 | 62.1 | -178.2 | -63 | 81 | 0 | 0 | 0 | 111.7 | R767 P768 E772 T773 F774 | R767-H770 PolarHBondContact O-N 3.38Å; R767-H770 VanDerWaalsContact O-N 3.16Å; R767-H770 PolarHBondContact O-ND1 2.98Å; P768-H770 VanDerWaalsContact C-N 3.3Å; P768-H770 PolarHBondContact O-N 3.41Å; P768-H770 PolarHBondContact O-ND1 2.96Å; P768-H770 VanDerWaalsContact O-ND1 3.09Å; H770-E772 WeakPolarHBondContact CA-OE1 3.15Å; H770-E772 IonicContact CD2-OE1 3.66Å; H770-E772 IonicContact CG-OE1 3.94Å; H770-E772 PolarHBondContact O-N 2.92Å; H770-T773 HydrophobicContact CB-CG2 4.26Å; H770-T773 PolarHBondContact O-N 3.42Å; H770-T773 PolarHBondContact O-OG1 3.36Å; H770-F774 VanDerWaalsContact O-CD1 3.24Å; H770-F774 WeakPolarHBondContact O-CD1 3.31Å; H770-F774 WeakPolarHBondContact O-CE1 3.22Å | ||
| 771 | I | 93.1 | Very high | 95.1 | Very high | 84 Ų | 84 | 44.2 Ų | 44.2 | 43% | 0.431 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -59.5 | -30.6 | -171.7 | 62.5 | 173.7 | 0 | 0 | 0 | 113.4 | G769 T773 F774 D986 | G769-I771 VanDerWaalsContact C-N 3.33Å; G769-I771 PolarHBondContact O-N 3.45Å; I771-T773 PolarHBondContact O-N 3.28Å; I771-F774 HydrophobicContact CG2-CE2 4.17Å; I771-F774 HydrophobicContact CG2-CZ 4.25Å; I771-F774 WeakPolarHBondContact O-CB 3.33Å; I771-F774 PolarHBondContact O-N 2.93Å; I771-F774 VanDerWaalsContact O-N 3.11Å; I771-D986 HydrophobicContact CG2-CB 3.7Å |
| 772 | E | 92.7 | Very high | 95.2 | Very high | 141 Ų | 141 | 43.1 Ų | 43.1 | 66% | 0.659 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -64.9 | -17.6 | 177.3 | 61.9 | -73.2 | 163.5 | 0 | 0 | 113.5 | H770 | H770-E772 WeakPolarHBondContact CA-OE1 3.15Å; H770-E772 IonicContact CD2-OE1 3.66Å; H770-E772 IonicContact CG-OE1 3.94Å; H770-E772 PolarHBondContact O-N 2.92Å |
| 773 | T | 94.3 | Very high | 95.4 | Very high | 58 Ų | 58 | 42.5 Ų | 42.5 | 36% | 0.356 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -96 | -4.9 | 177.2 | 69.8 | 0 | 0 | 0 | 0 | 113.1 | S766 H770 I771 D775 T778 | S766-T773 VanDerWaalsContact CB-OG1 3.31Å; S766-T773 WeakPolarHBondContact CB-OG1 3.44Å; S766-T773 PolarHBondContact OG-O 2.9Å; S766-T773 PolarHBondContact OG-OG1 3.03Å; H770-T773 HydrophobicContact CB-CG2 4.26Å; H770-T773 PolarHBondContact O-N 3.42Å; H770-T773 PolarHBondContact O-OG1 3.36Å; I771-T773 PolarHBondContact O-N 3.28Å; T773-D775 PolarHBondContact O-N 3.23Å; T773-T778 WeakPolarHBondContact O-CB 3.28Å; T773-T778 PolarHBondContact O-OG1 2.96Å |
| 774 | F | 97.1 | Very high | 95.5 | Very high | 13 Ų | 13 | 39.4 Ų | 39.4 | 6% | 0.057 | 21% | 0.205 | C | C | . | . | trans | -70 | 124.8 | -174.1 | -72.6 | 11.6 | 0 | 0 | 0 | 110.4 | W763 H770 I771 L779 D986 I987 F990 | W763-F774 HydrophobicContact CH2-CZ 4.32Å; W763-F774 HydrophobicContact CZ3-CE1 4.22Å; W763-F774 HydrophobicContact CZ3-CZ 4.01Å; H770-F774 VanDerWaalsContact O-CD1 3.24Å; H770-F774 WeakPolarHBondContact O-CD1 3.31Å; H770-F774 WeakPolarHBondContact O-CE1 3.22Å; I771-F774 HydrophobicContact CG2-CE2 4.17Å; I771-F774 HydrophobicContact CG2-CZ 4.25Å; I771-F774 WeakPolarHBondContact O-CB 3.33Å; I771-F774 PolarHBondContact O-N 2.93Å; I771-F774 VanDerWaalsContact O-N 3.11Å; F774-L779 HydrophobicContact CB-CD1 4.1Å; F774-L779 HydrophobicContact CB-CG 4.29Å; F774-L779 HydrophobicContact CD1-CD2 3.82Å; F774-L779 HydrophobicContact CD1-CG 4.41Å; F774-L779 HydrophobicContact CD2-CD1 4.16Å; F774-L779 HydrophobicContact CD2-CD2 4.13Å; F774-L779 HydrophobicContact CE1-CD2 3.98Å; F774-L779 HydrophobicContact CE2-CD2 4.27Å; F774-L779 HydrophobicContact CG-CD1 4.14Å; F774-L779 HydrophobicContact CG-CD2 3.91Å; F774-L779 HydrophobicContact CG-CG 4.18Å; F774-L779 HydrophobicContact CZ-CD2 4.21Å; F774-D986 HydrophobicContact CE2-CB 3.83Å; F774-D986 HydrophobicContact CZ-CB 4.09Å; F774-I987 HydrophobicContact CD2-CG1 4.42Å; F774-I987 HydrophobicContact CE2-CB 4.43Å; F774-I987 HydrophobicContact CE2-CG1 3.7Å; F774-I987 HydrophobicContact CZ-CG1 4.13Å; F774-F990 HydrophobicContact CB-CD2 3.66Å; F774-F990 HydrophobicContact CB-CE2 3.82Å; F774-F990 HydrophobicContact CB-CG 4.06Å; F774-F990 HydrophobicContact CB-CZ 4.35Å; F774-F990 HydrophobicContact CD2-CB 3.9Å; F774-F990 HydrophobicContact CD2-CD2 4.38Å; F774-F990 HydrophobicContact CD2-CG 4.13Å; F774-F990 VanDerWaalsContact O-CE2 3.26Å; F774-F990 WeakPolarHBondContact O-CE2 3.19Å | ||
| 775 | D | 95.8 | Very high | 95.7 | Very high | 45 Ų | 45 | 37.8 Ų | 37.8 | 24% | 0.241 | 20% | 0.197 | C | C | . | . | trans | -157.6 | 167.1 | -179.7 | -161.4 | -2 | 0 | 0 | 0 | 108.4 | T773 L777 T778 L779 Y1033 | T773-D775 PolarHBondContact O-N 3.23Å; D775-L777 PolarHBondContact O-N 2.97Å; D775-T778 HydrophobicContact CB-CG2 4.25Å; D775-T778 PolarHBondContact N-OG1 3.4Å; D775-T778 PolarHBondContact O-N 3.29Å; D775-T778 PolarHBondContact O-OG1 3.46Å; D775-L779 PolarHBondContact O-N 3.04Å; D775-L779 VanDerWaalsContact O-N 3.16Å; D775-Y1033 PolarHBondContact OD2-OH 3.12Å | ||
| 776 | L | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -40.1 | -178.6 | 176.6 | 62.2 | 0 | 0 | 0 | 112.9 | I784 W834 F835 C838 V851 R854 I855 I858 | L776-I784 HydrophobicContact CD1-CD1 4.41Å; L776-I784 WeakPolarHBondContact O-CD1 3.39Å; L776-W834 HydrophobicContact CB-CH2 3.56Å; L776-W834 HydrophobicContact CB-CZ2 3.82Å; L776-W834 HydrophobicContact CB-CZ3 4.43Å; L776-W834 HydrophobicContact CD1-CH2 3.73Å; L776-W834 HydrophobicContact CD1-CZ3 3.88Å; L776-W834 HydrophobicContact CG-CH2 4.17Å; L776-F835 HydrophobicContact CD1-CE1 4.23Å; L776-C838 HydrophobicContact CD2-CB 3.73Å; L776-V851 HydrophobicContact CD2-CG1 3.74Å; L776-R854 HydrophobicContact CD1-CG 4.42Å; L776-R854 HydrophobicContact CG-CG 4.48Å; L776-I855 HydrophobicContact CD1-CG1 4.19Å; L776-I855 HydrophobicContact CD2-CD1 3.95Å; L776-I855 HydrophobicContact CD2-CG1 3.82Å; L776-I858 HydrophobicContact CD1-CD1 3.57Å |
| 777 | L | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -18.8 | -175.7 | -63.8 | -176.6 | 0 | 0 | 0 | 113.7 | H764 D775 V851 R854 Y1031 Y1033 L1035 | H764-L777 PolarHBondContact CD2-O 3.15Å; D775-L777 PolarHBondContact O-N 2.97Å; L777-V851 HydrophobicContact CD1-CG2 3.86Å; L777-V851 HydrophobicContact CD2-CG2 4.21Å; L777-V851 HydrophobicContact CG-CG2 4.19Å; L777-R854 HydrophobicContact CD2-CB 3.82Å; L777-R854 HydrophobicContact CD2-CG 4.03Å; L777-R854 PolarHBondContact O-NH1 3.42Å; L777-Y1031 HydrophobicContact CD1-CD2 3.82Å; L777-Y1031 HydrophobicContact CD1-CE2 3.68Å; L777-Y1031 HydrophobicContact CD1-CG 4.35Å; L777-Y1033 HydrophobicContact CB-CE2 3.66Å; L777-Y1033 HydrophobicContact CD1-CE2 4.2Å; L777-L1035 HydrophobicContact CD1-CD2 4.05Å |
| 778 | T | 96.9 | Very high | 96.3 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -29.5 | -173.9 | 59.8 | 0 | 0 | 0 | 0 | 113.2 | H764 I765 S766 T773 D775 Y1033 | H764-T778 WeakPolarHBondContact CB-O 3.32Å; H764-T778 PolarHBondContact CD2-O 2.78Å; I765-T778 HydrophobicContact CG2-CG2 4.39Å; I765-T778 PolarHBondContact N-O 3.41Å; S766-T778 PolarHBondContact N-O 3.01Å; S766-T778 VanDerWaalsContact N-O 3.08Å; S766-T778 VanDerWaalsContact OG-CB 3.23Å; S766-T778 WeakPolarHBondContact OG-CB 3.36Å; S766-T778 PolarHBondContact OG-OG1 2.74Å; S766-T778 VanDerWaalsContact OG-OG1 3.11Å; T773-T778 WeakPolarHBondContact O-CB 3.28Å; T773-T778 PolarHBondContact O-OG1 2.96Å; D775-T778 HydrophobicContact CB-CG2 4.25Å; D775-T778 PolarHBondContact N-OG1 3.4Å; D775-T778 PolarHBondContact O-N 3.29Å; D775-T778 PolarHBondContact O-OG1 3.46Å; T778-Y1033 HydrophobicContact CG2-CD1 4.02Å; T778-Y1033 HydrophobicContact CG2-CD2 4.34Å; T778-Y1033 HydrophobicContact CG2-CE1 3.55Å; T778-Y1033 HydrophobicContact CG2-CE2 3.94Å; T778-Y1033 HydrophobicContact CG2-CG 4.37Å; T778-Y1033 VanDerWaalsContact CG2-CZ 3.49Å |
| 779 | L | 97.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -76.4 | 156.8 | 168.7 | -71.5 | 175.6 | 0 | 0 | 0 | 111.4 | F774 D775 I784 I987 F990 F991 | F774-L779 HydrophobicContact CB-CD1 4.1Å; F774-L779 HydrophobicContact CB-CG 4.29Å; F774-L779 HydrophobicContact CD1-CD2 3.82Å; F774-L779 HydrophobicContact CD1-CG 4.41Å; F774-L779 HydrophobicContact CD2-CD1 4.16Å; F774-L779 HydrophobicContact CD2-CD2 4.13Å; F774-L779 HydrophobicContact CE1-CD2 3.98Å; F774-L779 HydrophobicContact CE2-CD2 4.27Å; F774-L779 HydrophobicContact CG-CD1 4.14Å; F774-L779 HydrophobicContact CG-CD2 3.91Å; F774-L779 HydrophobicContact CG-CG 4.18Å; F774-L779 HydrophobicContact CZ-CD2 4.21Å; D775-L779 PolarHBondContact O-N 3.04Å; D775-L779 VanDerWaalsContact O-N 3.16Å; L779-I784 HydrophobicContact CB-CD1 3.83Å; L779-I784 HydrophobicContact CB-CG1 3.7Å; L779-I784 HydrophobicContact CD1-CG1 4.32Å; L779-I987 HydrophobicContact CD1-CG2 4.29Å; L779-I987 HydrophobicContact CD2-CD1 4.13Å; L779-I987 HydrophobicContact CD2-CG1 4.05Å; L779-F990 HydrophobicContact CD1-CD1 4.27Å; L779-F990 HydrophobicContact CD1-CE1 4.39Å; L779-F991 HydrophobicContact CD1-CE2 4.4Å; L779-F991 HydrophobicContact CD1-CZ 4.39Å |
| 780 | H | 97.8 | Very high | 96.9 | Very high | 10 Ų | 10 | 23.9 Ų | 23.9 | 5% | 0.046 | 12% | 0.118 | C | C | . | . | trans | -76 | 131 | 179 | -164.8 | -75.8 | 0 | 0 | 0 | 110.2 | E762 H764 I782 E783 I784 P1038 G1039 | E762-H780 HydrophobicContact CB-CB 4.08Å; E762-H780 WeakPolarHBondContact O-CB 3.47Å; H764-H780 HydrophobicContact CB-CB 3.94Å; H780-I782 VanDerWaalsContact C-N 3.32Å; H780-I782 PolarHBondContact ND1-N 3.42Å; H780-I782 PolarHBondContact O-N 3.36Å; H780-E783 HydrophobicContact CB-CB 4.09Å; H780-E783 PolarHBondContact O-N 2.9Å; H780-I784 WeakPolarHBondContact O-CG1 3.39Å; H780-I784 PolarHBondContact O-N 3.03Å; H780-P1038 VanDerWaalsContact CD2-CG 3.44Å; H780-P1038 WeakPolarHBondContact CD2-CG 3.14Å; H780-P1038 WeakPolarHBondContact NE2-CB 3.38Å; H780-P1038 WeakPolarHBondContact NE2-CG 3.39Å; H780-G1039 PolarHBondContact CE1-O 3.01Å | ||
| 781 | P | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.4 | -40.4 | -176.2 | 20.1 | -31.8 | 0 | 0 | 0 | 113.6 | E783 A785 E857 I858 P1038 G1039 V1040 | P781-E783 VanDerWaalsContact C-N 3.3Å; P781-E783 PolarHBondContact O-N 2.87Å; P781-A785 PolarHBondContact O-N 2.75Å; P781-A785 VanDerWaalsContact O-N 3.09Å; P781-E857 HydrophobicContact CB-CB 4.43Å; P781-I858 HydrophobicContact CB-CG1 4.1Å; P781-P1038 VanDerWaalsContact CD-CG 3.47Å; P781-P1038 HydrophobicContact CG-CG 4.06Å; P781-G1039 WeakPolarHBondContact CG-O 3.33Å; P781-V1040 HydrophobicContact CB-CG1 4.37Å; P781-V1040 HydrophobicContact CG-CG1 4.4Å |
| 782 | I | 98.1 | Very high | 97.4 | Very high | 6 Ų | 6 | 15.9 Ų | 15.9 | 3% | 0.031 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.2 | -41.8 | 174.4 | -57.7 | 175.9 | 0 | 0 | 0 | 111.2 | E762 H780 A785 R786 V861 V1040 P1042 | E762-I782 HydrophobicContact CG-CG2 4.49Å; H780-I782 VanDerWaalsContact C-N 3.32Å; H780-I782 PolarHBondContact ND1-N 3.42Å; H780-I782 PolarHBondContact O-N 3.36Å; I782-A785 PolarHBondContact O-N 3.17Å; I782-R786 HydrophobicContact CG2-CG 4.28Å; I782-R786 VanDerWaalsContact CG2-CZ 3.5Å; I782-R786 WeakPolarHBondContact O-CB 3.49Å; I782-R786 VanDerWaalsContact O-CG 3.29Å; I782-R786 WeakPolarHBondContact O-CG 3.38Å; I782-R786 PolarHBondContact O-N 3.46Å; I782-V861 HydrophobicContact CG1-CG2 4.19Å; I782-V861 HydrophobicContact CG2-CG1 4.41Å; I782-V1040 VanDerWaalsContact CD1-C 3.44Å; I782-V1040 HydrophobicContact CG1-CB 4.41Å; I782-P1042 HydrophobicContact CD1-CB 4.39Å |
| 783 | E | 97.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 9.5 Ų | 9.5 | 1% | 0.009 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -76.3 | -35.5 | -174.8 | -156.2 | 58.1 | -139.5 | 0 | 0 | 111.4 | V761 E762 H780 P781 A785 R786 Q787 I987 | V761-E783 WeakPolarHBondContact CA-OE2 3.47Å; V761-E783 HydrophobicContact CG1-CG 3.88Å; E762-E783 PolarHBondContact N-OE2 3.14Å; E762-E783 WeakPolarHBondContact O-CB 2.89Å; H780-E783 HydrophobicContact CB-CB 4.09Å; H780-E783 PolarHBondContact O-N 2.9Å; P781-E783 VanDerWaalsContact C-N 3.3Å; P781-E783 PolarHBondContact O-N 2.87Å; E783-A785 VanDerWaalsContact C-N 3.34Å; E783-A785 PolarHBondContact O-N 3.03Å; E783-R786 PolarHBondContact O-N 2.91Å; E783-R786 IonicContact OE2-NH1 3.56Å; E783-R786 PolarHBondContact OE2-NH1 3.43Å; E783-Q787 HydrophobicContact CG-CG 4.29Å; E783-Q787 WeakPolarHBondContact O-CB 3.35Å; E783-Q787 VanDerWaalsContact O-CG 3.29Å; E783-Q787 WeakPolarHBondContact O-CG 3.31Å; E783-Q787 PolarHBondContact O-N 3.23Å; E783-Q787 PolarHBondContact OE1-NE2 3.03Å; E783-I987 HydrophobicContact CG-CD1 3.68Å |
| 784 | I | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -53.6 | -54.3 | 167.4 | -65.5 | 173.6 | 0 | 0 | 0 | 109.6 | L776 L779 H780 R786 Q787 L788 I858 F991 | L776-I784 HydrophobicContact CD1-CD1 4.41Å; L776-I784 WeakPolarHBondContact O-CD1 3.39Å; L779-I784 HydrophobicContact CB-CD1 3.83Å; L779-I784 HydrophobicContact CB-CG1 3.7Å; L779-I784 HydrophobicContact CD1-CG1 4.32Å; H780-I784 WeakPolarHBondContact O-CG1 3.39Å; H780-I784 PolarHBondContact O-N 3.03Å; I784-R786 PolarHBondContact O-N 3.39Å; I784-Q787 PolarHBondContact O-N 3.5Å; I784-L788 HydrophobicContact CG2-CD1 3.66Å; I784-L788 HydrophobicContact CG2-CG 4.45Å; I784-L788 VanDerWaalsContact O-CB 3.28Å; I784-L788 WeakPolarHBondContact O-CB 3.36Å; I784-L788 WeakPolarHBondContact O-CG 3.49Å; I784-L788 PolarHBondContact O-N 3.4Å; I784-I858 HydrophobicContact CB-CD1 4.27Å; I784-I858 HydrophobicContact CB-CG1 4.39Å; I784-I858 HydrophobicContact CD1-CD1 3.95Å; I784-I858 HydrophobicContact CG2-CD1 3.77Å; I784-I858 HydrophobicContact CG2-CG1 4.18Å; I784-I858 HydrophobicContact CG2-CG2 4.25Å; I784-F991 HydrophobicContact CB-CE2 4.46Å; I784-F991 HydrophobicContact CB-CZ 4.15Å; I784-F991 HydrophobicContact CG1-CE2 4.42Å; I784-F991 HydrophobicContact CG1-CZ 4Å; I784-F991 HydrophobicContact CG2-CE1 4.27Å; I784-F991 HydrophobicContact CG2-CE2 4.19Å; I784-F991 HydrophobicContact CG2-CZ 3.57Å |
| 785 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.9 | -39.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P781 I782 E783 T789 I858 V861 F862 | P781-A785 PolarHBondContact O-N 2.75Å; P781-A785 VanDerWaalsContact O-N 3.09Å; I782-A785 PolarHBondContact O-N 3.17Å; E783-A785 VanDerWaalsContact C-N 3.34Å; E783-A785 PolarHBondContact O-N 3.03Å; A785-T789 WeakPolarHBondContact O-CB 3.36Å; A785-T789 PolarHBondContact O-N 3.35Å; A785-T789 PolarHBondContact O-OG1 3.39Å; A785-I858 HydrophobicContact CB-CG2 4.17Å; A785-V861 HydrophobicContact CB-CB 3.54Å; A785-V861 HydrophobicContact CB-CG1 3.45Å; A785-V861 VanDerWaalsContact CB-CG1 3.45Å; A785-V861 HydrophobicContact CB-CG2 4.5Å; A785-F862 HydrophobicContact CB-CD1 3.97Å; A785-F862 HydrophobicContact CB-CE1 3.99Å; A785-F862 WeakPolarHBondContact O-CE1 3.38Å |
| 786 | R | 98.4 | Very high | 97.7 | Very high | 24 Ų | 24 | 9.2 Ų | 9.2 | 9% | 0.091 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -66.3 | -47 | 178.2 | -77.1 | 173.8 | 176.7 | 166.8 | -0.6 | 112.5 | T760 I782 E783 I784 T789 L790 L865 L981 | T760-R786 PolarHBondContact O-NH1 3.27Å; I782-R786 HydrophobicContact CG2-CG 4.28Å; I782-R786 VanDerWaalsContact CG2-CZ 3.5Å; I782-R786 WeakPolarHBondContact O-CB 3.49Å; I782-R786 VanDerWaalsContact O-CG 3.29Å; I782-R786 WeakPolarHBondContact O-CG 3.38Å; I782-R786 PolarHBondContact O-N 3.46Å; E783-R786 PolarHBondContact O-N 2.91Å; E783-R786 IonicContact OE2-NH1 3.56Å; E783-R786 PolarHBondContact OE2-NH1 3.43Å; I784-R786 PolarHBondContact O-N 3.39Å; R786-T789 PolarHBondContact O-N 2.64Å; R786-L790 WeakPolarHBondContact O-CG 3.42Å; R786-L790 PolarHBondContact O-N 3.36Å; R786-L865 HydrophobicContact CG-CD1 4.1Å; R786-L981 HydrophobicContact CB-CD1 4.05Å; R786-L981 HydrophobicContact CG-CD1 3.97Å; R786-L981 HydrophobicContact CG-CD2 3.99Å |
| 787 | Q | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.009 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -70.3 | -37.9 | -178.2 | -62.6 | -55 | -41.4 | 0 | 0 | 111.5 | E783 I784 L790 L791 R982 E984 I987 | E783-Q787 HydrophobicContact CG-CG 4.29Å; E783-Q787 WeakPolarHBondContact O-CB 3.35Å; E783-Q787 VanDerWaalsContact O-CG 3.29Å; E783-Q787 WeakPolarHBondContact O-CG 3.31Å; E783-Q787 PolarHBondContact O-N 3.23Å; E783-Q787 PolarHBondContact OE1-NE2 3.03Å; I784-Q787 PolarHBondContact O-N 3.5Å; Q787-L790 PolarHBondContact O-N 3.42Å; Q787-L791 WeakPolarHBondContact O-CB 3.44Å; Q787-L791 PolarHBondContact O-N 3.49Å; Q787-R982 PolarHBondContact NE2-O 2.98Å; Q787-E984 HydrophobicContact CG-CB 4.3Å; Q787-I987 HydrophobicContact CB-CB 4.43Å; Q787-I987 HydrophobicContact CB-CG2 3.68Å; Q787-I987 HydrophobicContact CG-CB 3.95Å; Q787-I987 HydrophobicContact CG-CD1 4.49Å; Q787-I987 HydrophobicContact CG-CG2 3.58Å |
| 788 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.2 | -45.1 | 170.3 | -75.7 | 175.2 | 0 | 0 | 0 | 112 | I784 L790 L791 E792 L831 F862 F991 | I784-L788 HydrophobicContact CG2-CD1 3.66Å; I784-L788 HydrophobicContact CG2-CG 4.45Å; I784-L788 VanDerWaalsContact O-CB 3.28Å; I784-L788 WeakPolarHBondContact O-CB 3.36Å; I784-L788 WeakPolarHBondContact O-CG 3.49Å; I784-L788 PolarHBondContact O-N 3.4Å; L788-L790 VanDerWaalsContact C-N 3.32Å; L788-L790 PolarHBondContact O-N 3.07Å; L788-L791 WeakPolarHBondContact O-CB 3.49Å; L788-L791 PolarHBondContact O-N 2.86Å; L788-L791 VanDerWaalsContact O-N 3.12Å; L788-E792 WeakPolarHBondContact CB-OE1 3.47Å; L788-E792 WeakPolarHBondContact O-CB 3.15Å; L788-E792 VanDerWaalsContact O-CG 3.31Å; L788-E792 WeakPolarHBondContact O-CG 3.46Å; L788-E792 PolarHBondContact O-N 2.8Å; L788-L831 HydrophobicContact CD1-CD1 4.02Å; L788-L831 HydrophobicContact CD1-CD2 3.74Å; L788-L831 HydrophobicContact CD2-CD1 4.19Å; L788-L831 HydrophobicContact CD2-CD2 3.73Å; L788-L831 HydrophobicContact CG-CD2 4.28Å; L788-F862 HydrophobicContact CB-CE1 3.9Å; L788-F862 HydrophobicContact CB-CZ 3.89Å; L788-F862 HydrophobicContact CD1-CZ 3.86Å; L788-F991 HydrophobicContact CD1-CD1 4.28Å; L788-F991 HydrophobicContact CD1-CE1 4.09Å; L788-F991 HydrophobicContact CD1-CZ 4.31Å; L788-F991 HydrophobicContact CD2-CB 3.73Å; L788-F991 HydrophobicContact CD2-CD1 3.57Å; L788-F991 HydrophobicContact CD2-CD2 4.03Å; L788-F991 HydrophobicContact CD2-CE1 4.22Å; L788-F991 HydrophobicContact CD2-CG 3.5Å; L788-F991 VanDerWaalsContact CD2-CG 3.5Å; L788-F991 HydrophobicContact CG-CD1 4.07Å; L788-F991 HydrophobicContact CG-CD2 4.1Å; L788-F991 HydrophobicContact CG-CE1 4.25Å; L788-F991 HydrophobicContact CG-CE2 4.25Å; L788-F991 HydrophobicContact CG-CG 4.03Å; L788-F991 HydrophobicContact CG-CZ 4.36Å |
| 789 | T | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.6 | -41.1 | 175.8 | -60.9 | 0 | 0 | 0 | 0 | 112.4 | A785 R786 S793 L865 N867 V927 Y979 | A785-T789 WeakPolarHBondContact O-CB 3.36Å; A785-T789 PolarHBondContact O-N 3.35Å; A785-T789 PolarHBondContact O-OG1 3.39Å; R786-T789 PolarHBondContact O-N 2.64Å; T789-S793 WeakPolarHBondContact O-CB 3.49Å; T789-S793 PolarHBondContact O-N 3.39Å; T789-L865 HydrophobicContact CG2-CB 4.31Å; T789-L865 HydrophobicContact CG2-CD1 4.33Å; T789-N867 HydrophobicContact CG2-CB 3.98Å; T789-N867 PolarHBondContact OG1-ND2 3.08Å; T789-V927 HydrophobicContact CG2-CG2 4.36Å; T789-Y979 HydrophobicContact CG2-CD1 4.01Å; T789-Y979 HydrophobicContact CG2-CD2 4.07Å; T789-Y979 HydrophobicContact CG2-CE1 3.57Å; T789-Y979 HydrophobicContact CG2-CE2 3.64Å; T789-Y979 HydrophobicContact CG2-CG 4.23Å |
| 790 | L | 97.7 | Very high | 96.9 | Very high | 14 Ų | 14 | 17.2 Ų | 17.2 | 7% | 0.073 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.8 | -46.6 | 174.1 | -79.8 | 169.6 | 0 | 0 | 0 | 111.6 | R786 Q787 L788 S793 D794 L981 V983 | R786-L790 WeakPolarHBondContact O-CG 3.42Å; R786-L790 PolarHBondContact O-N 3.36Å; Q787-L790 PolarHBondContact O-N 3.42Å; L788-L790 VanDerWaalsContact C-N 3.32Å; L788-L790 PolarHBondContact O-N 3.07Å; L790-S793 PolarHBondContact O-N 3.09Å; L790-D794 VanDerWaalsContact O-CG 3.28Å; L790-D794 PolarHBondContact O-N 3.47Å; L790-L981 HydrophobicContact CD1-CB 3.77Å; L790-L981 HydrophobicContact CD2-CB 4.04Å; L790-L981 HydrophobicContact CG-CB 3.97Å; L790-L981 HydrophobicContact CG-CD1 4.3Å; L790-V983 HydrophobicContact CD1-CG2 4.03Å |
| 791 | L | 97.9 | Very high | 96.6 | Very high | 8 Ų | 8 | 17 Ų | 17 | 4% | 0.042 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.6 | -49.4 | 179.4 | -169 | 84.5 | 0 | 0 | 0 | 112 | Q787 L788 S793 D794 L795 H827 K988 F991 E992 | Q787-L791 WeakPolarHBondContact O-CB 3.44Å; Q787-L791 PolarHBondContact O-N 3.49Å; L788-L791 WeakPolarHBondContact O-CB 3.49Å; L788-L791 PolarHBondContact O-N 2.86Å; L788-L791 VanDerWaalsContact O-N 3.12Å; L791-S793 VanDerWaalsContact C-N 3.33Å; L791-S793 PolarHBondContact O-N 3.44Å; L791-D794 PolarHBondContact O-N 3.38Å; L791-L795 HydrophobicContact CG-CD1 4.36Å; L791-L795 VanDerWaalsContact O-CG 3.32Å; L791-L795 WeakPolarHBondContact O-CG 3.5Å; L791-L795 PolarHBondContact O-N 3.47Å; L791-H827 WeakPolarHBondContact CD2-CE1 3.4Å; L791-K988 HydrophobicContact CD1-CD 4.41Å; L791-K988 HydrophobicContact CD1-CG 3.87Å; L791-F991 HydrophobicContact CD2-CB 4.47Å; L791-E992 HydrophobicContact CD1-CG 3.48Å; L791-E992 VanDerWaalsContact CD1-CG 3.48Å; L791-E992 HydrophobicContact CD2-CG 4.4Å |
| 792 | E | 98.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.009 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.7 | -36.2 | 178.6 | -68.8 | 166.4 | -127.7 | 0 | 0 | 111.7 | L788 L795 Y796 N867 N869 G870 V927 | L788-E792 WeakPolarHBondContact CB-OE1 3.47Å; L788-E792 WeakPolarHBondContact O-CB 3.15Å; L788-E792 VanDerWaalsContact O-CG 3.31Å; L788-E792 WeakPolarHBondContact O-CG 3.46Å; L788-E792 PolarHBondContact O-N 2.8Å; E792-L795 PolarHBondContact O-N 2.94Å; E792-Y796 VanDerWaalsContact O-CB 3.29Å; E792-Y796 WeakPolarHBondContact O-CB 3.19Å; E792-Y796 PolarHBondContact O-N 3.02Å; E792-N867 PolarHBondContact OE1-ND2 3.45Å; E792-N867 PolarHBondContact OE2-ND2 3.25Å; E792-N867 PolarHBondContact OE2-OD1 3Å; E792-N869 PolarHBondContact OE2-ND2 3.35Å; E792-G870 PolarHBondContact OE2-N 3.09Å; E792-G870 VanDerWaalsContact OE2-N 3.09Å; E792-V927 HydrophobicContact CB-CG1 4.25Å |
| 793 | S | 97.5 | Very high | 95.8 | Very high | 8 Ų | 8 | 17.1 Ų | 17.1 | 6% | 0.056 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.3 | -45.3 | 172 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | T789 L790 L791 L795 Y796 R797 | T789-S793 WeakPolarHBondContact O-CB 3.49Å; T789-S793 PolarHBondContact O-N 3.39Å; L790-S793 PolarHBondContact O-N 3.09Å; L791-S793 VanDerWaalsContact C-N 3.33Å; L791-S793 PolarHBondContact O-N 3.44Å; S793-L795 VanDerWaalsContact C-N 3.33Å; S793-L795 PolarHBondContact O-N 3.2Å; S793-Y796 PolarHBondContact O-N 3.22Å; S793-R797 VanDerWaalsContact O-CB 3.3Å; S793-R797 WeakPolarHBondContact O-CB 3.44Å; S793-R797 WeakPolarHBondContact O-CD 3.27Å; S793-R797 WeakPolarHBondContact O-CG 3.42Å; S793-R797 PolarHBondContact O-N 3.22Å |
| 794 | D | 95.4 | Very high | 95.6 | Very high | 74 Ų | 74 | 17.1 Ų | 17.1 | 40% | 0.396 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -60.8 | -44.2 | 176.5 | -71.4 | -18.9 | 0 | 0 | 0 | 110.9 | L790 L791 R797 A798 K988 | L790-D794 VanDerWaalsContact O-CG 3.28Å; L790-D794 PolarHBondContact O-N 3.47Å; L791-D794 PolarHBondContact O-N 3.38Å; D794-R797 PolarHBondContact O-N 3.22Å; D794-A798 WeakPolarHBondContact O-CB 3.32Å; D794-A798 PolarHBondContact O-N 2.87Å; D794-K988 IonicContact OD2-NZ 2.66Å; D794-K988 PolarHBondContact OD2-NZ 2.94Å |
| 795 | L | 97 | Very high | 95.2 | Very high | 32 Ų | 32 | 17.6 Ų | 17.6 | 17% | 0.168 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.6 | -47.1 | 176.9 | -70.5 | 168.6 | 0 | 0 | 0 | 111.7 | L791 E792 S793 A798 V799 K823 M824 H827 | L791-L795 HydrophobicContact CG-CD1 4.36Å; L791-L795 VanDerWaalsContact O-CG 3.32Å; L791-L795 WeakPolarHBondContact O-CG 3.5Å; L791-L795 PolarHBondContact O-N 3.47Å; E792-L795 PolarHBondContact O-N 2.94Å; S793-L795 VanDerWaalsContact C-N 3.33Å; S793-L795 PolarHBondContact O-N 3.2Å; L795-A798 PolarHBondContact O-N 2.73Å; L795-V799 WeakPolarHBondContact O-CG2 3.37Å; L795-V799 PolarHBondContact O-N 3.44Å; L795-K823 HydrophobicContact CD2-CB 4.08Å; L795-M824 HydrophobicContact CB-CB 4.01Å; L795-M824 HydrophobicContact CB-CG 4.08Å; L795-H827 HydrophobicContact CD1-CB 3.7Å |
| 796 | Y | 97.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.016 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 177 | 178.4 | -95.1 | 0 | 0 | 0 | 111.9 | E792 S793 A798 V799 V927 P928 F930 I971 Q975 | E792-Y796 VanDerWaalsContact O-CB 3.29Å; E792-Y796 WeakPolarHBondContact O-CB 3.19Å; E792-Y796 PolarHBondContact O-N 3.02Å; S793-Y796 PolarHBondContact O-N 3.22Å; Y796-A798 VanDerWaalsContact C-N 3.31Å; Y796-A798 PolarHBondContact O-N 3.21Å; Y796-V799 PolarHBondContact O-N 3.32Å; Y796-V927 HydrophobicContact CG-CG1 4.47Å; Y796-P928 HydrophobicContact CE1-CG 4.28Å; Y796-P928 HydrophobicContact CE2-CB 4.06Å; Y796-P928 HydrophobicContact CE2-CG 4.09Å; Y796-F930 AromaticContact CD2-CD2 3.68Å; Y796-F930 HydrophobicContact CD2-CD2 3.68Å; Y796-F930 HydrophobicContact CD2-CE2 4.13Å; Y796-F930 AromaticContact CE2-CD2 3.63Å; Y796-F930 HydrophobicContact CE2-CD2 3.63Å; Y796-F930 AromaticContact CE2-CE2 3.96Å; Y796-F930 HydrophobicContact CE2-CE2 3.96Å; Y796-I971 HydrophobicContact CE2-CG2 4.29Å; Y796-I971 WeakPolarHBondContact OH-CA 3.23Å; Y796-I971 WeakPolarHBondContact OH-CG2 3.35Å; Y796-I971 PolarHBondContact OH-O 2.95Å; Y796-Q975 HydrophobicContact CD1-CG 3.74Å; Y796-Q975 HydrophobicContact CE1-CB 4.4Å; Y796-Q975 HydrophobicContact CE1-CG 3.39Å; Y796-Q975 PolarHBondContact O-NE2 3.32Å |
| 797 | R | 93.9 | Very high | 94.4 | Very high | 80 Ų | 80 | 17.3 Ų | 17.3 | 30% | 0.302 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -67.5 | -28.6 | 178.8 | -71.7 | 169 | 59.3 | 96.8 | 8.6 | 113.2 | S793 D794 V799 Q975 N976 | S793-R797 VanDerWaalsContact O-CB 3.3Å; S793-R797 WeakPolarHBondContact O-CB 3.44Å; S793-R797 WeakPolarHBondContact O-CD 3.27Å; S793-R797 WeakPolarHBondContact O-CG 3.42Å; S793-R797 PolarHBondContact O-N 3.22Å; D794-R797 PolarHBondContact O-N 3.22Å; R797-V799 VanDerWaalsContact C-N 3.33Å; R797-Q975 HydrophobicContact CG-CB 4.25Å; R797-Q975 HydrophobicContact CG-CG 4.5Å; R797-Q975 PolarHBondContact NH1-O 3.47Å; R797-N976 PolarHBondContact NH1-O 2.97Å |
| 798 | A | 93 | Very high | 94 | Very high | 35 Ų | 35 | 18.2 Ų | 18.2 | 29% | 0.289 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -72.5 | -26.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D794 L795 Y796 Q800 N820 | D794-A798 WeakPolarHBondContact O-CB 3.32Å; D794-A798 PolarHBondContact O-N 2.87Å; L795-A798 PolarHBondContact O-N 2.73Å; Y796-A798 VanDerWaalsContact C-N 3.31Å; Y796-A798 PolarHBondContact O-N 3.21Å; A798-Q800 PolarHBondContact O-N 3.2Å; A798-Q800 VanDerWaalsContact O-N 3.14Å; A798-Q800 PolarHBondContact O-NE2 3.34Å; A798-N820 HydrophobicContact CB-CB 4.11Å; A798-N820 PolarHBondContact O-ND2 2.8Å |
| 799 | V | 94.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.012 | 10% | 0.103 | C | C | . | . | trans | -62.4 | 116.1 | -179.1 | -175 | 0 | 0 | 0 | 0 | 110.7 | L795 Y796 R797 E803 L804 N820 L821 M824 F930 Q975 | L795-V799 WeakPolarHBondContact O-CG2 3.37Å; L795-V799 PolarHBondContact O-N 3.44Å; Y796-V799 PolarHBondContact O-N 3.32Å; R797-V799 VanDerWaalsContact C-N 3.33Å; V799-E803 HydrophobicContact CG1-CB 4.49Å; V799-L804 HydrophobicContact CG1-CD1 4.5Å; V799-L804 HydrophobicContact CG1-CD2 4.28Å; V799-L804 HydrophobicContact CG1-CG 4.43Å; V799-N820 HydrophobicContact CG2-CB 4.46Å; V799-L821 HydrophobicContact CG1-CB 4.23Å; V799-L821 HydrophobicContact CG1-CD1 4.46Å; V799-M824 HydrophobicContact CG2-SD 4.19Å; V799-F930 HydrophobicContact CB-CE2 4.18Å; V799-F930 HydrophobicContact CB-CZ 4.31Å; V799-F930 HydrophobicContact CG1-CE2 4.09Å; V799-F930 HydrophobicContact CG1-CZ 3.7Å; V799-F930 HydrophobicContact CG2-CE2 4.19Å; V799-F930 HydrophobicContact CG2-CZ 4.49Å; V799-Q975 PolarHBondContact O-NE2 2.89Å | ||
| 800 | Q | 90.7 | Very high | 93.4 | Very high | 58 Ų | 58 | 23.2 Ų | 23.2 | 27% | 0.271 | 13% | 0.127 | S | C | . | . | trans | -89.2 | 148.4 | 177.1 | -59.8 | -55.2 | -56.7 | 0 | 0 | 111.2 | Y702 A798 S802 E803 | Y702-Q800 HydrophobicContact CD1-CG 4.32Å; Y702-Q800 HydrophobicContact CE1-CB 4.36Å; A798-Q800 PolarHBondContact O-N 3.2Å; A798-Q800 VanDerWaalsContact O-N 3.14Å; A798-Q800 PolarHBondContact O-NE2 3.34Å; Q800-S802 PolarHBondContact O-N 3.37Å; Q800-S802 VanDerWaalsContact O-N 3.1Å; Q800-E803 HydrophobicContact CB-CG 4.31Å; Q800-E803 PolarHBondContact N-OE1 2.82Å; Q800-E803 VanDerWaalsContact O-CB 3.31Å; Q800-E803 WeakPolarHBondContact O-CB 3.44Å; Q800-E803 PolarHBondContact O-N 3.26Å | ||
| 801 | P | 90.5 | Very high | 93.1 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.032 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -55 | -29.8 | 175.2 | -29.5 | 36.5 | 0 | 0 | 0 | 114.6 | T629 E803 L804 V805 T968 Q972 | T629-P801 HydrophobicContact CG2-CB 3.6Å; T629-P801 HydrophobicContact CG2-CG 4.47Å; P801-E803 PolarHBondContact O-N 3.22Å; P801-L804 WeakPolarHBondContact O-CB 3.43Å; P801-L804 PolarHBondContact O-N 3.41Å; P801-V805 PolarHBondContact O-N 3Å; P801-V805 VanDerWaalsContact O-N 3.11Å; P801-T968 HydrophobicContact CB-CG2 4.22Å; P801-Q972 HydrophobicContact CG-CG 4.21Å |
| 802 | S | 88.1 | Confident | 92.8 | Very high | 10 Ų | 10 | 36.3 Ų | 36.3 | 7% | 0.07 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -63.7 | -22 | 176.9 | 49.8 | 0 | 0 | 0 | 0 | 114 | Y702 Q800 L804 | Y702-S802 WeakPolarHBondContact CE2-OG 3.47Å; Y702-S802 VanDerWaalsContact CZ-OG 3.23Å; Y702-S802 WeakPolarHBondContact OH-CB 3.47Å; Y702-S802 PolarHBondContact OH-OG 3.22Å; Q800-S802 PolarHBondContact O-N 3.37Å; Q800-S802 VanDerWaalsContact O-N 3.1Å; S802-L804 PolarHBondContact O-N 3.22Å |
| 803 | E | 92 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -77.2 | -10.2 | 176.1 | -55.8 | -174.4 | -122.8 | 0 | 0 | 112.2 | V799 Q800 P801 V808 N817 S818 N820 L821 | V799-E803 HydrophobicContact CG1-CB 4.49Å; Q800-E803 HydrophobicContact CB-CG 4.31Å; Q800-E803 PolarHBondContact N-OE1 2.82Å; Q800-E803 VanDerWaalsContact O-CB 3.31Å; Q800-E803 WeakPolarHBondContact O-CB 3.44Å; Q800-E803 PolarHBondContact O-N 3.26Å; P801-E803 PolarHBondContact O-N 3.22Å; E803-V808 WeakPolarHBondContact O-CG2 3.22Å; E803-N817 WeakPolarHBondContact CG-O 3.38Å; E803-S818 PolarHBondContact O-OG 3.25Å; E803-S818 WeakPolarHBondContact OE2-CA 3.19Å; E803-N820 WeakPolarHBondContact OE1-CB 2.91Å; E803-N820 PolarHBondContact OE1-ND2 3.3Å; E803-N820 WeakPolarHBondContact OE2-CA 3.45Å; E803-N820 WeakPolarHBondContact OE2-CB 3.33Å; E803-N820 PolarHBondContact OE2-N 3.04Å; E803-L821 HydrophobicContact CB-CB 4.48Å; E803-L821 PolarHBondContact OE2-N 3.19Å |
| 804 | L | 93.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -42 | -173.5 | -52.1 | 175 | 0 | 0 | 0 | 111.7 | V799 P801 S802 G806 S807 W809 L821 F930 L934 I937 T968 I971 | V799-L804 HydrophobicContact CG1-CD1 4.5Å; V799-L804 HydrophobicContact CG1-CD2 4.28Å; V799-L804 HydrophobicContact CG1-CG 4.43Å; P801-L804 WeakPolarHBondContact O-CB 3.43Å; P801-L804 PolarHBondContact O-N 3.41Å; S802-L804 PolarHBondContact O-N 3.22Å; L804-G806 PolarHBondContact O-N 3.01Å; L804-S807 PolarHBondContact O-N 3.17Å; L804-W809 HydrophobicContact CB-CZ3 4.3Å; L804-W809 HydrophobicContact CD2-CE3 4.43Å; L804-W809 HydrophobicContact CD2-CZ3 4.49Å; L804-W809 WeakPolarHBondContact O-CZ3 3.46Å; L804-L821 HydrophobicContact CD2-CD1 4.35Å; L804-L821 HydrophobicContact CD2-CD2 3.9Å; L804-F930 HydrophobicContact CD1-CE1 4.44Å; L804-F930 HydrophobicContact CD1-CZ 3.99Å; L804-F930 HydrophobicContact CD2-CE1 3.68Å; L804-F930 HydrophobicContact CD2-CZ 3.85Å; L804-L934 HydrophobicContact CD2-CD2 3.93Å; L804-I937 HydrophobicContact CB-CD1 4.06Å; L804-I937 HydrophobicContact CD1-CD1 4.19Å; L804-T968 HydrophobicContact CB-CG2 4.39Å; L804-T968 HydrophobicContact CD1-CG2 3.93Å; L804-I971 HydrophobicContact CD1-CD1 3.62Å |
| 805 | V | 90 | Very high | 92 | Very high | 10 Ų | 10 | 44 Ų | 44 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -63.5 | 136.6 | -176.8 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | T629 T630 P801 S807 V808 V964 | T629-V805 HydrophobicContact CG2-CG2 4.33Å; T630-V805 HydrophobicContact CG2-CG1 4.33Å; T630-V805 HydrophobicContact CG2-CG2 3.91Å; P801-V805 PolarHBondContact O-N 3Å; P801-V805 VanDerWaalsContact O-N 3.11Å; V805-S807 VanDerWaalsContact C-N 3.3Å; V805-V808 WeakPolarHBondContact O-CG1 3.41Å; V805-V964 HydrophobicContact CG2-CG1 4.05Å |
| 806 | G | 88.4 | Confident | 91.6 | Very high | 8 Ų | 8 | 48 Ų | 48 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | 79.2 | 13.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L804 V808 K811 E941 | L804-G806 PolarHBondContact O-N 3.01Å; G806-V808 PolarHBondContact O-N 3.28Å; G806-V808 VanDerWaalsContact O-N 3.11Å; G806-K811 WeakPolarHBondContact O-CE 3.33Å; G806-K811 PolarHBondContact O-NZ 3.07Å; G806-E941 VanDerWaalsContact CA-OE1 3.26Å; G806-E941 WeakPolarHBondContact CA-OE1 3.38Å; G806-E941 WeakPolarHBondContact CA-OE2 3.32Å; G806-E941 PolarHBondContact N-OE1 2.94Å; G806-E941 PolarHBondContact N-OE2 3.4Å |
| 807 | S | 90.9 | Very high | 91.1 | Very high | 9 Ų | 9 | 50 Ų | 50 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | 52 | 34.3 | -177.9 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | L804 V805 W809 T810 E941 | L804-S807 PolarHBondContact O-N 3.17Å; V805-S807 VanDerWaalsContact C-N 3.3Å; S807-W809 PolarHBondContact O-N 3.34Å; S807-W809 VanDerWaalsContact O-N 3.14Å; S807-T810 WeakPolarHBondContact O-CB 3.45Å; S807-T810 PolarHBondContact O-N 3Å; S807-T810 PolarHBondContact O-OG1 2.95Å; S807-E941 PolarHBondContact N-OE2 3.42Å; S807-E941 PolarHBondContact OG-OE2 2.76Å |
| 808 | V | 90.7 | Very high | 91 | Very high | 22 Ų | 22 | 46.1 Ų | 46.1 | 13% | 0.133 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -62.6 | -23.2 | -170.8 | -71.6 | 0 | 0 | 0 | 0 | 113.3 | E803 V805 G806 T810 K811 N817 | E803-V808 WeakPolarHBondContact O-CG2 3.22Å; V805-V808 WeakPolarHBondContact O-CG1 3.41Å; G806-V808 PolarHBondContact O-N 3.28Å; G806-V808 VanDerWaalsContact O-N 3.11Å; V808-T810 PolarHBondContact O-N 3.3Å; V808-K811 PolarHBondContact O-N 3.48Å; V808-N817 HydrophobicContact CB-CB 3.83Å; V808-N817 HydrophobicContact CG2-CB 3.96Å |
| 809 | W | 92.6 | Very high | 91 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 9% | 0.087 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -69 | -16.8 | 174 | 77.7 | 86.2 | 0 | 0 | 0 | 113.8 | L804 S807 K814 S818 L821 L934 I937 L938 | L804-W809 HydrophobicContact CB-CZ3 4.3Å; L804-W809 HydrophobicContact CD2-CE3 4.43Å; L804-W809 HydrophobicContact CD2-CZ3 4.49Å; L804-W809 WeakPolarHBondContact O-CZ3 3.46Å; S807-W809 PolarHBondContact O-N 3.34Å; S807-W809 VanDerWaalsContact O-N 3.14Å; W809-K814 VanDerWaalsContact O-CB 3.25Å; W809-K814 WeakPolarHBondContact O-CB 3.34Å; W809-S818 WeakPolarHBondContact CA-OG 3.43Å; W809-S818 WeakPolarHBondContact CB-OG 3.41Å; W809-S818 PolarHBondContact N-OG 3.41Å; W809-L821 HydrophobicContact CB-CD2 3.5Å; W809-L821 VanDerWaalsContact CB-CD2 3.5Å; W809-L821 HydrophobicContact CD2-CD2 4.18Å; W809-L821 HydrophobicContact CE3-CD2 4.43Å; W809-L821 HydrophobicContact CG-CD2 3.76Å; W809-L934 HydrophobicContact CD2-CD2 3.9Å; W809-L934 HydrophobicContact CE3-CD2 4.11Å; W809-L934 HydrophobicContact CH2-CD2 4.03Å; W809-L934 HydrophobicContact CZ2-CB 4.17Å; W809-L934 HydrophobicContact CZ2-CD2 3.82Å; W809-L934 HydrophobicContact CZ3-CD2 4.1Å; W809-I937 HydrophobicContact CH2-CB 3.95Å; W809-I937 HydrophobicContact CH2-CG2 3.6Å; W809-I937 HydrophobicContact CZ3-CB 4.48Å; W809-I937 HydrophobicContact CZ3-CG2 3.84Å; W809-L938 HydrophobicContact CZ2-CB 4.34Å |
| 810 | T | 91.7 | Very high | 91.1 | Very high | 81 Ų | 81 | 48.1 Ų | 48.1 | 50% | 0.497 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -93.3 | -11.4 | 177.1 | 69.4 | 0 | 0 | 0 | 0 | 113 | S807 V808 L938 | S807-T810 WeakPolarHBondContact O-CB 3.45Å; S807-T810 PolarHBondContact O-N 3Å; S807-T810 PolarHBondContact O-OG1 2.95Å; V808-T810 PolarHBondContact O-N 3.3Å; T810-L938 HydrophobicContact CG2-CD1 4.49Å |
| 811 | K | 90.7 | Very high | 91.3 | Very high | 106 Ų | 106 | 45.3 Ų | 45.3 | 46% | 0.461 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -87.2 | 171 | -175 | -62.2 | -176.4 | 178.5 | 170.7 | 0 | 111.4 | G806 V808 D813 K814 | G806-K811 WeakPolarHBondContact O-CE 3.33Å; G806-K811 PolarHBondContact O-NZ 3.07Å; V808-K811 PolarHBondContact O-N 3.48Å; K811-D813 VanDerWaalsContact C-N 3.27Å; K811-D813 PolarHBondContact O-N 2.94Å; K811-K814 WeakPolarHBondContact O-CB 3.44Å; K811-K814 PolarHBondContact O-N 3.44Å |
| 812 | E | 92.1 | Very high | 91.6 | Very high | 191 Ų | 191 | 46 Ų | 46 | 89% | 0.893 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -40.3 | 179.1 | -63.3 | -175.3 | 169.7 | 0 | 0 | 111.8 | K814 | E812-K814 PolarHBondContact O-N 3.48Å; E812-K814 VanDerWaalsContact O-N 3.14Å |
| 813 | D | 90.3 | Very high | 92 | Very high | 93 Ų | 93 | 51 Ų | 51 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 23.5 | -179.7 | -60.7 | -37.3 | 0 | 0 | 0 | 114.5 | K811 E815 I816 N817 | K811-D813 VanDerWaalsContact C-N 3.27Å; K811-D813 PolarHBondContact O-N 2.94Å; D813-E815 PolarHBondContact O-N 2.92Å; D813-I816 PolarHBondContact O-N 3.1Å; D813-N817 WeakPolarHBondContact CB-ND2 3.34Å; D813-N817 PolarHBondContact O-N 2.99Å; D813-N817 PolarHBondContact O-ND2 3.42Å |
| 814 | K | 92.6 | Very high | 92.2 | Very high | 65 Ų | 65 | 51.5 Ų | 51.5 | 28% | 0.283 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.4 | -33.5 | -176.7 | 61.1 | -176.6 | 179.4 | -177 | 0 | 113.8 | W809 K811 E812 I816 S818 L822 | W809-K814 VanDerWaalsContact O-CB 3.25Å; W809-K814 WeakPolarHBondContact O-CB 3.34Å; K811-K814 WeakPolarHBondContact O-CB 3.44Å; K811-K814 PolarHBondContact O-N 3.44Å; E812-K814 PolarHBondContact O-N 3.48Å; E812-K814 VanDerWaalsContact O-N 3.14Å; K814-I816 VanDerWaalsContact C-N 3.29Å; K814-I816 PolarHBondContact O-N 2.79Å; K814-S818 CarbonylContact O-C 3.58Å; K814-S818 WeakPolarHBondContact O-CA 3.44Å; K814-S818 WeakPolarHBondContact O-CB 3.06Å; K814-S818 PolarHBondContact O-N 2.94Å; K814-L822 HydrophobicContact CB-CD1 4.08Å; K814-L822 HydrophobicContact CD-CD1 4.48Å; K814-L822 HydrophobicContact CG-CD1 4Å; K814-L822 VanDerWaalsContact O-CD1 3.3Å; K814-L822 WeakPolarHBondContact O-CD1 3.31Å |
| 815 | E | 91.1 | Very high | 92.3 | Very high | 87 Ų | 87 | 52.5 Ų | 52.5 | 41% | 0.407 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.1 | -30 | 178.5 | -57.8 | -58.4 | 154.2 | 0 | 0 | 112.8 | D813 L822 R826 | D813-E815 PolarHBondContact O-N 2.92Å; E815-L822 WeakPolarHBondContact OE2-CD1 3.41Å; E815-R826 IonicContact OE1-CZ 3.2Å; E815-R826 IonicContact OE1-NH2 2.68Å; E815-R826 PolarHBondContact OE1-NH2 2.73Å; E815-R826 IonicContact OE2-CZ 3.56Å; E815-R826 IonicContact OE2-NH1 2.8Å; E815-R826 PolarHBondContact OE2-NH1 2.94Å; E815-R826 IonicContact OE2-NH2 3.62Å; E815-R826 PolarHBondContact OE2-NH2 3.17Å |
| 816 | I | 89.1 | Confident | 92.6 | Very high | 118 Ų | 118 | 57.2 Ų | 57.2 | 61% | 0.605 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -84.5 | -45.5 | -179.9 | -60.6 | 171.9 | 0 | 0 | 0 | 109.5 | D813 K814 | D813-I816 PolarHBondContact O-N 3.1Å; K814-I816 VanDerWaalsContact C-N 3.29Å; K814-I816 PolarHBondContact O-N 2.79Å |
| 817 | N | 86.5 | Confident | 93.1 | Very high | 44 Ų | 44 | 57.8 Ų | 57.8 | 24% | 0.235 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -84.8 | -31.4 | -171.2 | -69 | -47.1 | 0 | 0 | 0 | 113.7 | E803 V808 D813 | E803-N817 WeakPolarHBondContact CG-O 3.38Å; V808-N817 HydrophobicContact CB-CB 3.83Å; V808-N817 HydrophobicContact CG2-CB 3.96Å; D813-N817 WeakPolarHBondContact CB-ND2 3.34Å; D813-N817 PolarHBondContact O-N 2.99Å; D813-N817 PolarHBondContact O-ND2 3.42Å |
| 818 | S | 92.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -126.9 | 46.9 | -173.1 | -51.3 | 0 | 0 | 0 | 0 | 114 | E803 W809 K814 N820 L822 | E803-S818 PolarHBondContact O-OG 3.25Å; E803-S818 WeakPolarHBondContact OE2-CA 3.19Å; W809-S818 WeakPolarHBondContact CA-OG 3.43Å; W809-S818 WeakPolarHBondContact CB-OG 3.41Å; W809-S818 PolarHBondContact N-OG 3.41Å; K814-S818 CarbonylContact O-C 3.58Å; K814-S818 WeakPolarHBondContact O-CA 3.44Å; K814-S818 WeakPolarHBondContact O-CB 3.06Å; K814-S818 PolarHBondContact O-N 2.94Å; S818-N820 PolarHBondContact O-N 3.25Å; S818-L822 WeakPolarHBondContact O-CB 3.25Å; S818-L822 VanDerWaalsContact O-CG 3.25Å; S818-L822 WeakPolarHBondContact O-CG 3.41Å; S818-L822 PolarHBondContact O-N 3.15Å | ||
| 819 | P | 93 | Very high | 93.6 | Very high | 37 Ų | 37 | 60.2 Ų | 60.2 | 24% | 0.24 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.8 | -37 | -172.2 | 27.4 | -36 | 0 | 0 | 0 | 113.9 | K823 | P819-K823 WeakPolarHBondContact O-CB 3.47Å; P819-K823 WeakPolarHBondContact O-CG 3.34Å; P819-K823 PolarHBondContact O-N 3.22Å |
| 820 | N | 94.7 | Very high | 93.8 | Very high | 41 Ų | 41 | 60.9 Ų | 60.9 | 22% | 0.219 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -78.2 | -39.9 | -178.2 | -54.5 | -55.1 | 0 | 0 | 0 | 110.6 | A798 V799 E803 S818 L822 K823 M824 | A798-N820 HydrophobicContact CB-CB 4.11Å; A798-N820 PolarHBondContact O-ND2 2.8Å; V799-N820 HydrophobicContact CG2-CB 4.46Å; E803-N820 WeakPolarHBondContact OE1-CB 2.91Å; E803-N820 PolarHBondContact OE1-ND2 3.3Å; E803-N820 WeakPolarHBondContact OE2-CA 3.45Å; E803-N820 WeakPolarHBondContact OE2-CB 3.33Å; E803-N820 PolarHBondContact OE2-N 3.04Å; S818-N820 PolarHBondContact O-N 3.25Å; N820-L822 VanDerWaalsContact C-N 3.32Å; N820-L822 PolarHBondContact O-N 3.26Å; N820-K823 PolarHBondContact O-N 2.73Å; N820-M824 PolarHBondContact O-N 3.37Å |
| 821 | L | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.4 | -47.3 | 172.9 | 177 | 66 | 0 | 0 | 0 | 111.1 | V799 E803 L804 W809 M824 I825 F930 L934 | V799-L821 HydrophobicContact CG1-CB 4.23Å; V799-L821 HydrophobicContact CG1-CD1 4.46Å; E803-L821 HydrophobicContact CB-CB 4.48Å; E803-L821 PolarHBondContact OE2-N 3.19Å; L804-L821 HydrophobicContact CD2-CD1 4.35Å; L804-L821 HydrophobicContact CD2-CD2 3.9Å; W809-L821 HydrophobicContact CB-CD2 3.5Å; W809-L821 VanDerWaalsContact CB-CD2 3.5Å; W809-L821 HydrophobicContact CD2-CD2 4.18Å; W809-L821 HydrophobicContact CE3-CD2 4.43Å; W809-L821 HydrophobicContact CG-CD2 3.76Å; L821-M824 HydrophobicContact CD1-CE 3.8Å; L821-M824 PolarHBondContact O-N 3.28Å; L821-I825 HydrophobicContact CD1-CD1 3.97Å; L821-I825 HydrophobicContact CD1-CG1 4.38Å; L821-I825 HydrophobicContact CD2-CD1 4.47Å; L821-I825 HydrophobicContact CG-CD1 3.83Å; L821-I825 WeakPolarHBondContact O-CG1 3.48Å; L821-I825 PolarHBondContact O-N 2.92Å; L821-F930 HydrophobicContact CD1-CD1 3.7Å; L821-F930 HydrophobicContact CD1-CE1 3.44Å; L821-F930 VanDerWaalsContact CD1-CE1 3.44Å; L821-F930 HydrophobicContact CD1-CG 4.46Å; L821-F930 HydrophobicContact CD1-CZ 3.99Å; L821-L934 HydrophobicContact CD1-CD1 4.35Å; L821-L934 HydrophobicContact CD1-CD2 4.17Å; L821-L934 HydrophobicContact CD2-CD2 3.89Å |
| 822 | L | 96.1 | Very high | 94.5 | Very high | 19 Ų | 19 | 52.8 Ų | 52.8 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.5 | -37.3 | 179.4 | -68.4 | 176.5 | 0 | 0 | 0 | 112.3 | K814 E815 S818 N820 M824 I825 R826 | K814-L822 HydrophobicContact CB-CD1 4.08Å; K814-L822 HydrophobicContact CD-CD1 4.48Å; K814-L822 HydrophobicContact CG-CD1 4Å; K814-L822 VanDerWaalsContact O-CD1 3.3Å; K814-L822 WeakPolarHBondContact O-CD1 3.31Å; E815-L822 WeakPolarHBondContact OE2-CD1 3.41Å; S818-L822 WeakPolarHBondContact O-CB 3.25Å; S818-L822 VanDerWaalsContact O-CG 3.25Å; S818-L822 WeakPolarHBondContact O-CG 3.41Å; S818-L822 PolarHBondContact O-N 3.15Å; N820-L822 VanDerWaalsContact C-N 3.32Å; N820-L822 PolarHBondContact O-N 3.26Å; L822-M824 VanDerWaalsContact C-N 3.33Å; L822-M824 PolarHBondContact O-N 3.48Å; L822-I825 PolarHBondContact O-N 2.81Å; L822-R826 VanDerWaalsContact O-CB 3.28Å; L822-R826 WeakPolarHBondContact O-CB 3.42Å; L822-R826 WeakPolarHBondContact O-CD 3.3Å; L822-R826 WeakPolarHBondContact O-CG 3.46Å; L822-R826 PolarHBondContact O-N 3.31Å |
| 823 | K | 95.8 | Very high | 94.8 | Very high | 116 Ų | 116 | 44.5 Ų | 44.5 | 50% | 0.504 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.5 | -45.2 | 172.2 | -78.6 | 171 | -176 | 177.1 | 0 | 111.7 | L795 P819 N820 R826 H827 | L795-K823 HydrophobicContact CD2-CB 4.08Å; P819-K823 WeakPolarHBondContact O-CB 3.47Å; P819-K823 WeakPolarHBondContact O-CG 3.34Å; P819-K823 PolarHBondContact O-N 3.22Å; N820-K823 PolarHBondContact O-N 2.73Å; K823-R826 PolarHBondContact O-N 2.72Å; K823-H827 WeakPolarHBondContact O-CB 3.34Å; K823-H827 PolarHBondContact O-N 3.03Å |
| 824 | M | 97.3 | Very high | 95.2 | Very high | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.049 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.3 | -50.9 | 177.1 | -176.7 | -163.3 | 74.4 | 0 | 0 | 111.5 | L795 V799 N820 L821 L822 R826 H827 T828 F930 | L795-M824 HydrophobicContact CB-CB 4.01Å; L795-M824 HydrophobicContact CB-CG 4.08Å; V799-M824 HydrophobicContact CG2-SD 4.19Å; N820-M824 PolarHBondContact O-N 3.37Å; L821-M824 HydrophobicContact CD1-CE 3.8Å; L821-M824 PolarHBondContact O-N 3.28Å; L822-M824 VanDerWaalsContact C-N 3.33Å; L822-M824 PolarHBondContact O-N 3.48Å; M824-R826 VanDerWaalsContact C-N 3.33Å; M824-R826 PolarHBondContact O-N 2.97Å; M824-H827 WeakPolarHBondContact O-CB 3.13Å; M824-H827 PolarHBondContact O-N 2.81Å; M824-T828 PolarHBondContact O-N 3.34Å; M824-T828 PolarHBondContact O-OG1 3.23Å; M824-F930 HydrophobicContact CE-CB 3.34Å; M824-F930 HydrophobicContact CE-CD1 3.85Å; M824-F930 HydrophobicContact CE-CD2 3.62Å; M824-F930 HydrophobicContact CE-CE2 4.37Å; M824-F930 HydrophobicContact CE-CG 3.33Å; M824-F930 HydrophobicContact SD-CB 4.16Å; M824-F930 HydrophobicContact SD-CD2 3.74Å; M824-F930 HydrophobicContact SD-CE2 4.41Å; M824-F930 HydrophobicContact SD-CG 4.08Å |
| 825 | I | 96.5 | Very high | 95.4 | Very high | 22 Ų | 22 | 37.9 Ų | 37.9 | 11% | 0.113 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.6 | -44.2 | 179 | -65.7 | 166.1 | 0 | 0 | 0 | 111 | L821 L822 H827 T828 T829 L934 F1226 | L821-I825 HydrophobicContact CD1-CD1 3.97Å; L821-I825 HydrophobicContact CD1-CG1 4.38Å; L821-I825 HydrophobicContact CD2-CD1 4.47Å; L821-I825 HydrophobicContact CG-CD1 3.83Å; L821-I825 WeakPolarHBondContact O-CG1 3.48Å; L821-I825 PolarHBondContact O-N 2.92Å; L822-I825 PolarHBondContact O-N 2.81Å; I825-H827 VanDerWaalsContact C-N 3.33Å; I825-H827 PolarHBondContact O-N 3.14Å; I825-T828 WeakPolarHBondContact O-CB 3.46Å; I825-T828 PolarHBondContact O-N 3.02Å; I825-T829 PolarHBondContact O-N 3.44Å; I825-T829 PolarHBondContact O-OG1 3.21Å; I825-T829 VanDerWaalsContact O-OG1 3.1Å; I825-L934 HydrophobicContact CD1-CD1 4.18Å; I825-F1226 HydrophobicContact CD1-CE1 3.83Å; I825-F1226 HydrophobicContact CD1-CZ 3.88Å; I825-F1226 HydrophobicContact CG1-CZ 4.25Å; I825-F1226 HydrophobicContact CG2-CD1 4.22Å; I825-F1226 HydrophobicContact CG2-CD2 4.4Å; I825-F1226 HydrophobicContact CG2-CE1 4.25Å; I825-F1226 HydrophobicContact CG2-CE2 4.43Å; I825-F1226 HydrophobicContact CG2-CG 4.31Å; I825-F1226 HydrophobicContact CG2-CZ 4.35Å |
| 826 | R | 96.3 | Very high | 95.8 | Very high | 109 Ų | 109 | 34.5 Ų | 34.5 | 41% | 0.411 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 177.3 | -74.3 | 166.2 | 179 | 149.5 | 5.1 | 112.4 | E815 L822 K823 M824 T829 N830 | E815-R826 IonicContact OE1-CZ 3.2Å; E815-R826 IonicContact OE1-NH2 2.68Å; E815-R826 PolarHBondContact OE1-NH2 2.73Å; E815-R826 IonicContact OE2-CZ 3.56Å; E815-R826 IonicContact OE2-NH1 2.8Å; E815-R826 PolarHBondContact OE2-NH1 2.94Å; E815-R826 IonicContact OE2-NH2 3.62Å; E815-R826 PolarHBondContact OE2-NH2 3.17Å; L822-R826 VanDerWaalsContact O-CB 3.28Å; L822-R826 WeakPolarHBondContact O-CB 3.42Å; L822-R826 WeakPolarHBondContact O-CD 3.3Å; L822-R826 WeakPolarHBondContact O-CG 3.46Å; L822-R826 PolarHBondContact O-N 3.31Å; K823-R826 PolarHBondContact O-N 2.72Å; M824-R826 VanDerWaalsContact C-N 3.33Å; M824-R826 PolarHBondContact O-N 2.97Å; R826-T829 PolarHBondContact O-N 2.89Å; R826-N830 WeakPolarHBondContact O-CB 3.42Å; R826-N830 PolarHBondContact O-N 3.41Å |
| 827 | H | 97.4 | Very high | 96.2 | Very high | 20 Ų | 20 | 31.4 Ų | 31.4 | 9% | 0.093 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.5 | -49.8 | 175.8 | 178 | 67 | 0 | 0 | 0 | 110.6 | L791 L795 K823 M824 I825 T829 N830 L831 | L791-H827 WeakPolarHBondContact CD2-CE1 3.4Å; L795-H827 HydrophobicContact CD1-CB 3.7Å; K823-H827 WeakPolarHBondContact O-CB 3.34Å; K823-H827 PolarHBondContact O-N 3.03Å; M824-H827 WeakPolarHBondContact O-CB 3.13Å; M824-H827 PolarHBondContact O-N 2.81Å; I825-H827 VanDerWaalsContact C-N 3.33Å; I825-H827 PolarHBondContact O-N 3.14Å; H827-T829 VanDerWaalsContact C-N 3.35Å; H827-T829 PolarHBondContact O-N 2.93Å; H827-N830 PolarHBondContact O-N 3.44Å; H827-L831 WeakPolarHBondContact O-CB 3.38Å; H827-L831 PolarHBondContact O-N 2.91Å |
| 828 | T | 97.4 | Very high | 96.8 | Very high | 28 Ų | 28 | 29.8 Ų | 29.8 | 17% | 0.172 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.2 | -45.7 | 176 | -64.5 | 0 | 0 | 0 | 0 | 112.7 | M824 I825 T832 N869 E873 | M824-T828 PolarHBondContact O-N 3.34Å; M824-T828 PolarHBondContact O-OG1 3.23Å; I825-T828 WeakPolarHBondContact O-CB 3.46Å; I825-T828 PolarHBondContact O-N 3.02Å; T828-T832 WeakPolarHBondContact O-CB 3.38Å; T828-T832 PolarHBondContact O-N 2.98Å; T828-T832 PolarHBondContact O-OG1 3.1Å; T828-N869 PolarHBondContact OG1-OD1 3.47Å; T828-E873 WeakPolarHBondContact CA-OE1 3.37Å; T828-E873 WeakPolarHBondContact CB-OE1 3.05Å; T828-E873 HydrophobicContact CG2-CG 3.54Å; T828-E873 WeakPolarHBondContact CG2-OE1 3.43Å; T828-E873 PolarHBondContact OG1-OE1 3.06Å |
| 829 | T | 95.8 | Very high | 97.1 | Very high | 55 Ų | 55 | 29.8 Ų | 29.8 | 34% | 0.337 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -63.1 | -48.2 | 176.3 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | I825 R826 H827 L831 T832 L833 | I825-T829 PolarHBondContact O-N 3.44Å; I825-T829 PolarHBondContact O-OG1 3.21Å; I825-T829 VanDerWaalsContact O-OG1 3.1Å; R826-T829 PolarHBondContact O-N 2.89Å; H827-T829 VanDerWaalsContact C-N 3.35Å; H827-T829 PolarHBondContact O-N 2.93Å; T829-L831 PolarHBondContact O-N 3.14Å; T829-T832 PolarHBondContact O-N 3.09Å; T829-L833 HydrophobicContact CG2-CD1 3.95Å; T829-L833 HydrophobicContact CG2-CG 4.37Å; T829-L833 WeakPolarHBondContact O-CB 3.43Å; T829-L833 VanDerWaalsContact O-CG 3.29Å; T829-L833 WeakPolarHBondContact O-CG 3.46Å; T829-L833 PolarHBondContact O-N 3.02Å |
| 830 | N | 97.2 | Very high | 97.3 | Very high | 37 Ų | 37 | 28 Ų | 28 | 20% | 0.198 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.9 | -39.6 | -179.4 | -79.6 | -13.7 | 0 | 0 | 0 | 112.2 | R826 H827 W834 L994 P996 | R826-N830 WeakPolarHBondContact O-CB 3.42Å; R826-N830 PolarHBondContact O-N 3.41Å; H827-N830 PolarHBondContact O-N 3.44Å; N830-W834 VanDerWaalsContact O-CB 3.24Å; N830-W834 WeakPolarHBondContact O-CB 3.37Å; N830-W834 PolarHBondContact O-N 3.01Å; N830-L994 PolarHBondContact ND2-O 3.13Å; N830-P996 HydrophobicContact CB-CG 4.39Å; N830-P996 WeakPolarHBondContact O-CG 3.5Å |
| 831 | L | 98.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.8 | -41.3 | 179.5 | -173.4 | 60.1 | 0 | 0 | 0 | 111.6 | L788 H827 T829 W834 F835 E873 F991 L994 | L788-L831 HydrophobicContact CD1-CD1 4.02Å; L788-L831 HydrophobicContact CD1-CD2 3.74Å; L788-L831 HydrophobicContact CD2-CD1 4.19Å; L788-L831 HydrophobicContact CD2-CD2 3.73Å; L788-L831 HydrophobicContact CG-CD2 4.28Å; H827-L831 WeakPolarHBondContact O-CB 3.38Å; H827-L831 PolarHBondContact O-N 2.91Å; T829-L831 PolarHBondContact O-N 3.14Å; L831-W834 HydrophobicContact CD1-CE3 3.85Å; L831-W834 HydrophobicContact CD1-CZ3 4.31Å; L831-W834 WeakPolarHBondContact O-CB 3.43Å; L831-W834 PolarHBondContact O-N 3.06Å; L831-F835 HydrophobicContact CD1-CE2 4.14Å; L831-F835 HydrophobicContact CD1-CZ 4.07Å; L831-F835 HydrophobicContact CD2-CE2 4.32Å; L831-F835 HydrophobicContact CG-CD2 4.36Å; L831-F835 HydrophobicContact CG-CE2 3.76Å; L831-F835 HydrophobicContact CG-CZ 4.15Å; L831-F835 VanDerWaalsContact O-CD2 3.29Å; L831-F835 WeakPolarHBondContact O-CD2 3.46Å; L831-F835 PolarHBondContact O-N 3.21Å; L831-E873 WeakPolarHBondContact CD2-OE2 3.45Å; L831-F991 HydrophobicContact CD1-CD1 4.43Å; L831-L994 HydrophobicContact CD1-CD1 3.79Å |
| 832 | T | 98.1 | Very high | 97.5 | Very high | 15 Ų | 15 | 28.3 Ų | 28.3 | 9% | 0.092 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.3 | -51.5 | 173.3 | -57.4 | 0 | 0 | 0 | 0 | 111 | T828 T829 W834 F835 E836 A877 | T828-T832 WeakPolarHBondContact O-CB 3.38Å; T828-T832 PolarHBondContact O-N 2.98Å; T828-T832 PolarHBondContact O-OG1 3.1Å; T829-T832 PolarHBondContact O-N 3.09Å; T832-W834 VanDerWaalsContact C-N 3.28Å; T832-W834 PolarHBondContact O-N 3.04Å; T832-F835 WeakPolarHBondContact O-CB 3.29Å; T832-F835 PolarHBondContact O-N 2.94Å; T832-E836 WeakPolarHBondContact O-CG 3.35Å; T832-E836 PolarHBondContact O-N 3.46Å; T832-A877 HydrophobicContact CG2-CB 3.96Å |
| 833 | L | 98 | Very high | 97.6 | Very high | 18 Ų | 18 | 30 Ų | 30 | 9% | 0.094 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.4 | -32.3 | 177.7 | -72.4 | 179.1 | 0 | 0 | 0 | 112.7 | T829 E836 K837 P996 M997 F1005 L1009 | T829-L833 HydrophobicContact CG2-CD1 3.95Å; T829-L833 HydrophobicContact CG2-CG 4.37Å; T829-L833 WeakPolarHBondContact O-CB 3.43Å; T829-L833 VanDerWaalsContact O-CG 3.29Å; T829-L833 WeakPolarHBondContact O-CG 3.46Å; T829-L833 PolarHBondContact O-N 3.02Å; L833-E836 PolarHBondContact O-N 3.3Å; L833-K837 VanDerWaalsContact O-CB 3.27Å; L833-K837 WeakPolarHBondContact O-CB 3.48Å; L833-K837 PolarHBondContact O-N 2.96Å; L833-P996 HydrophobicContact CB-CB 4.15Å; L833-P996 HydrophobicContact CB-CG 3.67Å; L833-M997 HydrophobicContact CD1-CE 4.5Å; L833-M997 HydrophobicContact CD1-CG 3.9Å; L833-M997 HydrophobicContact CD1-SD 3.87Å; L833-F1005 HydrophobicContact CB-CE1 4.16Å; L833-F1005 HydrophobicContact CD1-CD1 4.39Å; L833-F1005 HydrophobicContact CD1-CE1 4.46Å; L833-F1005 HydrophobicContact CD2-CD1 4.38Å; L833-F1005 HydrophobicContact CD2-CE1 4.28Å; L833-L1009 HydrophobicContact CD2-CD1 4.13Å |
| 834 | W | 98.3 | Very high | 97.7 | Very high | 19 Ų | 19 | 25.5 Ų | 25.5 | 7% | 0.072 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.1 | -42.5 | 174.5 | 178.7 | 74.3 | 0 | 0 | 0 | 111.6 | L776 N830 L831 T832 E836 K837 C838 F990 F991 L994 P996 | L776-W834 HydrophobicContact CB-CH2 3.56Å; L776-W834 HydrophobicContact CB-CZ2 3.82Å; L776-W834 HydrophobicContact CB-CZ3 4.43Å; L776-W834 HydrophobicContact CD1-CH2 3.73Å; L776-W834 HydrophobicContact CD1-CZ3 3.88Å; L776-W834 HydrophobicContact CG-CH2 4.17Å; N830-W834 VanDerWaalsContact O-CB 3.24Å; N830-W834 WeakPolarHBondContact O-CB 3.37Å; N830-W834 PolarHBondContact O-N 3.01Å; L831-W834 HydrophobicContact CD1-CE3 3.85Å; L831-W834 HydrophobicContact CD1-CZ3 4.31Å; L831-W834 WeakPolarHBondContact O-CB 3.43Å; L831-W834 PolarHBondContact O-N 3.06Å; T832-W834 VanDerWaalsContact C-N 3.28Å; T832-W834 PolarHBondContact O-N 3.04Å; W834-E836 PolarHBondContact O-N 3.01Å; W834-K837 PolarHBondContact O-N 3.25Å; W834-C838 WeakPolarHBondContact O-CB 3.46Å; W834-C838 PolarHBondContact O-N 2.91Å; W834-C838 PolarHBondContact O-SG 3.24Å; W834-F990 HydrophobicContact CZ2-CE1 4.26Å; W834-F990 HydrophobicContact CZ2-CZ 4.25Å; W834-F991 HydrophobicContact CH2-CE1 4.11Å; W834-F991 HydrophobicContact CZ3-CE1 4.13Å; W834-L994 HydrophobicContact CB-CD1 4.26Å; W834-L994 VanDerWaalsContact CD1-CD2 3.48Å; W834-L994 HydrophobicContact CD2-CD1 3.95Å; W834-L994 HydrophobicContact CD2-CD2 4.04Å; W834-L994 HydrophobicContact CE3-CD1 4.21Å; W834-L994 HydrophobicContact CG-CD1 3.99Å; W834-L994 HydrophobicContact CG-CD2 3.79Å; W834-P996 HydrophobicContact CB-CB 4.22Å; W834-P996 HydrophobicContact CB-CG 4.46Å |
| 835 | F | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.2 | -46.4 | 172.2 | -70.1 | -46.5 | 0 | 0 | 0 | 111.8 | L776 L831 T832 K837 C838 I839 I855 I858 V874 A877 | L776-F835 HydrophobicContact CD1-CE1 4.23Å; L831-F835 HydrophobicContact CD1-CE2 4.14Å; L831-F835 HydrophobicContact CD1-CZ 4.07Å; L831-F835 HydrophobicContact CD2-CE2 4.32Å; L831-F835 HydrophobicContact CG-CD2 4.36Å; L831-F835 HydrophobicContact CG-CE2 3.76Å; L831-F835 HydrophobicContact CG-CZ 4.15Å; L831-F835 VanDerWaalsContact O-CD2 3.29Å; L831-F835 WeakPolarHBondContact O-CD2 3.46Å; L831-F835 PolarHBondContact O-N 3.21Å; T832-F835 WeakPolarHBondContact O-CB 3.29Å; T832-F835 PolarHBondContact O-N 2.94Å; F835-K837 PolarHBondContact O-N 3.02Å; F835-C838 PolarHBondContact O-N 3.05Å; F835-I839 WeakPolarHBondContact O-CD1 3.29Å; F835-I839 VanDerWaalsContact O-CG1 3.26Å; F835-I839 WeakPolarHBondContact O-CG1 3.3Å; F835-I839 PolarHBondContact O-N 3.26Å; F835-I839 VanDerWaalsContact O-N 3.1Å; F835-I855 HydrophobicContact CB-CD1 4.09Å; F835-I855 HydrophobicContact CD1-CD1 3.83Å; F835-I855 HydrophobicContact CD1-CG1 3.74Å; F835-I855 HydrophobicContact CD1-CG2 4.03Å; F835-I855 HydrophobicContact CE1-CG1 4.16Å; F835-I855 HydrophobicContact CE1-CG2 4.24Å; F835-I855 HydrophobicContact CG-CD1 4.29Å; F835-I855 HydrophobicContact CG-CG2 4.24Å; F835-I858 HydrophobicContact CE1-CD1 4.48Å; F835-V874 HydrophobicContact CD2-CG2 4.34Å; F835-V874 HydrophobicContact CE2-CG2 3.83Å; F835-V874 HydrophobicContact CZ-CG2 4.24Å; F835-A877 HydrophobicContact CB-CB 3.76Å; F835-A877 HydrophobicContact CD2-CB 4.47Å |
| 836 | E | 98.5 | Very high | 97.8 | Very high | 16 Ų | 16 | 31.2 Ų | 31.2 | 8% | 0.075 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.5 | -46.7 | 176.4 | -66 | -175.2 | -131.5 | 0 | 0 | 112 | T832 L833 W834 C838 I839 V840 A877 S880 V883 L1009 | T832-E836 WeakPolarHBondContact O-CG 3.35Å; T832-E836 PolarHBondContact O-N 3.46Å; L833-E836 PolarHBondContact O-N 3.3Å; W834-E836 PolarHBondContact O-N 3.01Å; E836-C838 PolarHBondContact O-N 3.29Å; E836-I839 PolarHBondContact O-N 2.73Å; E836-I839 VanDerWaalsContact O-N 3.13Å; E836-V840 WeakPolarHBondContact O-CG2 3.16Å; E836-V840 PolarHBondContact O-N 2.89Å; E836-A877 HydrophobicContact CG-CB 3.98Å; E836-S880 WeakPolarHBondContact CG-OG 3.37Å; E836-S880 WeakPolarHBondContact OE1-CB 3.47Å; E836-S880 WeakPolarHBondContact OE2-CB 3.31Å; E836-S880 PolarHBondContact OE2-OG 3.39Å; E836-V883 HydrophobicContact CB-CG2 4.31Å; E836-V883 HydrophobicContact CG-CG2 4.08Å; E836-L1009 HydrophobicContact CB-CD1 4.02Å |
| 837 | K | 98.1 | Very high | 97.8 | Very high | 52 Ų | 52 | 26 Ų | 26 | 23% | 0.226 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.5 | -48.6 | 177.2 | -173.8 | -176.6 | -174.2 | 169.4 | 0 | 111.6 | L833 W834 F835 I839 V840 E841 P996 F1005 L1009 | L833-K837 VanDerWaalsContact O-CB 3.27Å; L833-K837 WeakPolarHBondContact O-CB 3.48Å; L833-K837 PolarHBondContact O-N 2.96Å; W834-K837 PolarHBondContact O-N 3.25Å; F835-K837 PolarHBondContact O-N 3.02Å; K837-I839 PolarHBondContact O-N 3.1Å; K837-V840 PolarHBondContact O-N 3.21Å; K837-E841 VanDerWaalsContact CE-CD 3.45Å; K837-E841 WeakPolarHBondContact CE-OE1 3.36Å; K837-E841 WeakPolarHBondContact CE-OE2 3.33Å; K837-E841 VanDerWaalsContact CG-CD 3.47Å; K837-E841 HydrophobicContact CG-CG 4Å; K837-E841 VanDerWaalsContact O-CB 3.26Å; K837-E841 WeakPolarHBondContact O-CB 3.17Å; K837-E841 WeakPolarHBondContact O-CG 3.33Å; K837-E841 PolarHBondContact O-N 2.72Å; K837-P996 HydrophobicContact CD-CB 4.18Å; K837-P996 PolarHBondContact NZ-O 3.08Å; K837-F1005 HydrophobicContact CB-CZ 4.19Å; K837-F1005 HydrophobicContact CD-CE2 4.45Å; K837-F1005 HydrophobicContact CD-CZ 4.05Å; K837-F1005 HydrophobicContact CG-CZ 4.24Å; K837-L1009 HydrophobicContact CB-CD2 4.17Å |
| 838 | C | 98.1 | Very high | 97.9 | Very high | 10 Ų | 10 | 25.1 Ų | 25.1 | 7% | 0.068 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56 | -38.5 | 176.4 | -74.1 | 0 | 0 | 0 | 0 | 111.6 | L776 W834 F835 E836 T842 V851 | L776-C838 HydrophobicContact CD2-CB 3.73Å; W834-C838 WeakPolarHBondContact O-CB 3.46Å; W834-C838 PolarHBondContact O-N 2.91Å; W834-C838 PolarHBondContact O-SG 3.24Å; F835-C838 PolarHBondContact O-N 3.05Å; E836-C838 PolarHBondContact O-N 3.29Å; C838-T842 PolarHBondContact O-OG1 2.97Å; C838-V851 HydrophobicContact CB-CG1 4.13Å |
| 839 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -71.4 | -53.8 | 179.6 | -65.5 | 163.6 | 0 | 0 | 0 | 111.1 | F835 E836 K837 T842 R848 V851 V852 I855 M878 V883 L886 | F835-I839 WeakPolarHBondContact O-CD1 3.29Å; F835-I839 VanDerWaalsContact O-CG1 3.26Å; F835-I839 WeakPolarHBondContact O-CG1 3.3Å; F835-I839 PolarHBondContact O-N 3.26Å; F835-I839 VanDerWaalsContact O-N 3.1Å; E836-I839 PolarHBondContact O-N 2.73Å; E836-I839 VanDerWaalsContact O-N 3.13Å; K837-I839 PolarHBondContact O-N 3.1Å; I839-T842 PolarHBondContact O-N 3.12Å; I839-R848 HydrophobicContact CG2-CG 4Å; I839-R848 WeakPolarHBondContact O-CD 3.21Å; I839-R848 WeakPolarHBondContact O-CG 3.45Å; I839-V851 HydrophobicContact CG1-CG1 3.84Å; I839-V852 HydrophobicContact CD1-CG2 4.05Å; I839-V852 HydrophobicContact CG1-CG2 3.87Å; I839-V852 HydrophobicContact CG2-CG2 4.01Å; I839-I855 HydrophobicContact CD1-CD1 3.78Å; I839-I855 HydrophobicContact CG1-CD1 3.79Å; I839-M878 HydrophobicContact CD1-CE 4.38Å; I839-M878 HydrophobicContact CD1-SD 4.46Å; I839-V883 HydrophobicContact CB-CG2 4.33Å; I839-V883 HydrophobicContact CD1-CG1 3.89Å; I839-V883 HydrophobicContact CD1-CG2 3.9Å; I839-V883 HydrophobicContact CG2-CG1 4.42Å; I839-V883 HydrophobicContact CG2-CG2 4.22Å; I839-L886 HydrophobicContact CG2-CD1 3.62Å |
| 840 | V | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -79.5 | -22.2 | -170.4 | -55.9 | 0 | 0 | 0 | 0 | 113.9 | E836 K837 T842 P882 L1009 K1012 I1016 | E836-V840 WeakPolarHBondContact O-CG2 3.16Å; E836-V840 PolarHBondContact O-N 2.89Å; K837-V840 PolarHBondContact O-N 3.21Å; V840-T842 VanDerWaalsContact C-N 3.29Å; V840-P882 HydrophobicContact CG1-CB 3.92Å; V840-L1009 HydrophobicContact CG2-CB 4.32Å; V840-L1009 HydrophobicContact CG2-CD2 3.47Å; V840-L1009 VanDerWaalsContact CG2-CD2 3.47Å; V840-K1012 HydrophobicContact CB-CB 3.98Å; V840-K1012 HydrophobicContact CG2-CB 3.94Å; V840-I1016 HydrophobicContact CB-CD1 4.27Å |
| 841 | E | 97.9 | Very high | 98.1 | Very high | 48 Ų | 48 | 21.3 Ų | 21.3 | 22% | 0.224 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -5.6 | 171.6 | -65.3 | -170.5 | 166.1 | 0 | 0 | 113.1 | K837 E843 Y1008 | K837-E841 VanDerWaalsContact CE-CD 3.45Å; K837-E841 WeakPolarHBondContact CE-OE1 3.36Å; K837-E841 WeakPolarHBondContact CE-OE2 3.33Å; K837-E841 VanDerWaalsContact CG-CD 3.47Å; K837-E841 HydrophobicContact CG-CG 4Å; K837-E841 VanDerWaalsContact O-CB 3.26Å; K837-E841 WeakPolarHBondContact O-CB 3.17Å; K837-E841 WeakPolarHBondContact O-CG 3.33Å; K837-E841 PolarHBondContact O-N 2.72Å; E841-E843 PolarHBondContact O-N 3.48Å; E841-Y1008 HydrophobicContact CG-CE1 4.48Å; E841-Y1008 PolarHBondContact OE1-OH 2.95Å |
| 842 | T | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -91.5 | 86.3 | 167.4 | -59.5 | 0 | 0 | 0 | 0 | 109.2 | C838 I839 V840 N844 E847 R848 V851 Y1031 | C838-T842 PolarHBondContact O-OG1 2.97Å; I839-T842 PolarHBondContact O-N 3.12Å; V840-T842 VanDerWaalsContact C-N 3.29Å; T842-N844 VanDerWaalsContact C-N 3.33Å; T842-N844 PolarHBondContact O-N 3.38Å; T842-E847 VanDerWaalsContact CG2-C 3.45Å; T842-E847 HydrophobicContact CG2-CB 3.24Å; T842-R848 HydrophobicContact CG2-CB 3.96Å; T842-R848 WeakPolarHBondContact O-CB 3.44Å; T842-R848 WeakPolarHBondContact O-CD 3.4Å; T842-R848 PolarHBondContact O-NH1 2.9Å; T842-V851 HydrophobicContact CG2-CG2 4.42Å; T842-Y1031 HydrophobicContact CG2-CE2 4.05Å; T842-Y1031 PolarHBondContact OG1-OH 3.33Å | ||
| 843 | E | 98 | Very high | 98.1 | Very high | 54 Ų | 54 | 21.6 Ų | 21.6 | 25% | 0.252 | 11% | 0.11 | S | C | . | . | trans | -69.5 | -32.5 | -173.8 | -54.7 | 176.8 | 171.9 | 0 | 0 | 112.4 | E841 L845 R848 K1012 I1016 F1027 | E841-E843 PolarHBondContact O-N 3.48Å; E843-L845 PolarHBondContact O-N 2.98Å; E843-R848 VanDerWaalsContact C-NH1 3.32Å; E843-R848 PolarHBondContact O-NH1 3.39Å; E843-K1012 IonicContact OE1-NZ 2.71Å; E843-K1012 PolarHBondContact OE1-NZ 2.68Å; E843-I1016 HydrophobicContact CB-CG2 3.85Å; E843-I1016 HydrophobicContact CG-CG2 3.81Å; E843-F1027 HydrophobicContact CB-CB 3.56Å; E843-F1027 HydrophobicContact CB-CD1 3.64Å; E843-F1027 HydrophobicContact CB-CD2 3.95Å; E843-F1027 HydrophobicContact CB-CE1 4.26Å; E843-F1027 HydrophobicContact CB-CG 3.45Å; E843-F1027 VanDerWaalsContact CB-CG 3.45Å; E843-F1027 HydrophobicContact CG-CD1 4.32Å; E843-F1027 VanDerWaalsContact O-CD2 3.27Å; E843-F1027 WeakPolarHBondContact O-CD2 3.28Å; E843-F1027 WeakPolarHBondContact OE2-CD1 3.19Å | ||
| 844 | N | 98.1 | Very high | 98.1 | Very high | 21 Ų | 21 | 20.9 Ų | 20.9 | 11% | 0.112 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -68.9 | 125.5 | 175 | -177.6 | -90 | 0 | 0 | 0 | 111.3 | T842 E846 E847 R848 F1027 | T842-N844 VanDerWaalsContact C-N 3.33Å; T842-N844 PolarHBondContact O-N 3.38Å; N844-E846 PolarHBondContact O-N 2.95Å; N844-E846 WeakPolarHBondContact OD1-CB 3.35Å; N844-E846 PolarHBondContact OD1-N 2.83Å; N844-E846 VanDerWaalsContact OD1-N 3.12Å; N844-E847 HydrophobicContact CB-CB 4.23Å; N844-E847 HydrophobicContact CB-CG 4.24Å; N844-E847 PolarHBondContact O-N 3.4Å; N844-E847 PolarHBondContact OD1-N 3.47Å; N844-E847 VanDerWaalsContact OD1-N 3.16Å; N844-R848 WeakPolarHBondContact O-CB 3.48Å; N844-R848 PolarHBondContact O-N 3.46Å; N844-F1027 PolarHBondContact ND2-O 3.16Å |
| 845 | L | 97.6 | Very high | 98.1 | Very high | 38 Ų | 38 | 20 Ų | 20 | 20% | 0.199 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60 | -43.4 | -176.3 | -179.8 | 59.4 | 0 | 0 | 0 | 113.2 | E843 E847 R848 V849 H888 L1024 | E843-L845 PolarHBondContact O-N 2.98Å; L845-E847 PolarHBondContact O-N 3Å; L845-R848 PolarHBondContact O-N 3.44Å; L845-V849 HydrophobicContact CD1-CG2 4.16Å; L845-V849 WeakPolarHBondContact O-CB 3.45Å; L845-V849 WeakPolarHBondContact O-CG2 3.44Å; L845-V849 PolarHBondContact O-N 3.02Å; L845-H888 HydrophobicContact CD1-CB 4.31Å; L845-L1024 HydrophobicContact CD2-CD2 4.23Å |
| 846 | E | 97 | Very high | 98.1 | Very high | 114 Ų | 114 | 20 Ų | 20 | 53% | 0.533 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -64.8 | -42 | -178.8 | -62.2 | 174.2 | -169.6 | 0 | 0 | 111.7 | N844 A850 K1029 | N844-E846 PolarHBondContact O-N 2.95Å; N844-E846 WeakPolarHBondContact OD1-CB 3.35Å; N844-E846 PolarHBondContact OD1-N 2.83Å; N844-E846 VanDerWaalsContact OD1-N 3.12Å; E846-A850 PolarHBondContact O-N 3.06Å; E846-A850 VanDerWaalsContact O-N 3.17Å; E846-K1029 WeakPolarHBondContact OE2-CE 3.42Å; E846-K1029 IonicContact OE2-NZ 3.72Å; E846-K1029 PolarHBondContact OE2-NZ 3.34Å |
| 847 | E | 98 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67 | -40.5 | 175.6 | -67.9 | -177.7 | 148.5 | 0 | 0 | 111.4 | T842 N844 L845 V849 A850 V851 K1029 K1030 Y1031 L1035 | T842-E847 VanDerWaalsContact CG2-C 3.45Å; T842-E847 HydrophobicContact CG2-CB 3.24Å; N844-E847 HydrophobicContact CB-CB 4.23Å; N844-E847 HydrophobicContact CB-CG 4.24Å; N844-E847 PolarHBondContact O-N 3.4Å; N844-E847 PolarHBondContact OD1-N 3.47Å; N844-E847 VanDerWaalsContact OD1-N 3.16Å; L845-E847 PolarHBondContact O-N 3Å; E847-V849 VanDerWaalsContact C-N 3.34Å; E847-V849 PolarHBondContact O-N 2.79Å; E847-A850 CarbonylContact O-C 3.59Å; E847-A850 WeakPolarHBondContact O-CA 3.29Å; E847-A850 WeakPolarHBondContact O-CB 3.34Å; E847-A850 PolarHBondContact O-N 3.28Å; E847-A850 VanDerWaalsContact O-N 3.07Å; E847-V851 WeakPolarHBondContact O-CG2 3.07Å; E847-V851 PolarHBondContact O-N 3.49Å; E847-K1029 HydrophobicContact CG-CD 4.46Å; E847-K1029 HydrophobicContact CG-CG 4.17Å; E847-K1029 WeakPolarHBondContact OE1-CA 3.16Å; E847-K1029 WeakPolarHBondContact OE1-CB 3Å; E847-K1029 WeakPolarHBondContact OE2-CA 3.12Å; E847-K1030 VanDerWaalsContact CD-N 3.31Å; E847-K1030 PolarHBondContact OE1-N 3.29Å; E847-K1030 VanDerWaalsContact OE1-N 3.08Å; E847-K1030 PolarHBondContact OE2-N 2.98Å; E847-Y1031 HydrophobicContact CB-CD2 4.11Å; E847-Y1031 HydrophobicContact CB-CE2 4.43Å; E847-Y1031 HydrophobicContact CG-CD2 4.12Å; E847-Y1031 WeakPolarHBondContact OE1-CB 3.23Å; E847-Y1031 PolarHBondContact OE1-N 3.45Å; E847-L1035 HydrophobicContact CB-CD1 4.48Å; E847-L1035 HydrophobicContact CG-CD1 3.75Å; E847-L1035 HydrophobicContact CG-CD2 4.14Å |
| 848 | R | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.6 | -39 | -179.9 | -169.1 | 167.6 | 57.6 | -108.5 | 8 | 111.8 | I839 T842 E843 N844 L845 A850 V851 V852 T889 E1017 | I839-R848 HydrophobicContact CG2-CG 4Å; I839-R848 WeakPolarHBondContact O-CD 3.21Å; I839-R848 WeakPolarHBondContact O-CG 3.45Å; T842-R848 HydrophobicContact CG2-CB 3.96Å; T842-R848 WeakPolarHBondContact O-CB 3.44Å; T842-R848 WeakPolarHBondContact O-CD 3.4Å; T842-R848 PolarHBondContact O-NH1 2.9Å; E843-R848 VanDerWaalsContact C-NH1 3.32Å; E843-R848 PolarHBondContact O-NH1 3.39Å; N844-R848 WeakPolarHBondContact O-CB 3.48Å; N844-R848 PolarHBondContact O-N 3.46Å; L845-R848 PolarHBondContact O-N 3.44Å; R848-A850 VanDerWaalsContact C-N 3.3Å; R848-A850 PolarHBondContact O-N 2.9Å; R848-V851 WeakPolarHBondContact O-CB 3.25Å; R848-V851 PolarHBondContact O-N 3Å; R848-V852 WeakPolarHBondContact O-CG2 3.36Å; R848-V852 PolarHBondContact O-N 3.44Å; R848-T889 HydrophobicContact CG-CG2 4.02Å; R848-T889 PolarHBondContact NE-OG1 3.39Å; R848-T889 PolarHBondContact NH2-OG1 2.97Å; R848-E1017 IonicContact CZ-OE1 3.61Å; R848-E1017 IonicContact NE-OE1 3.42Å; R848-E1017 IonicContact NH2-OE1 3.68Å; R848-E1017 PolarHBondContact NH2-OE1 3.38Å |
| 849 | V | 98.2 | Very high | 98.1 | Very high | 19 Ų | 19 | 17.6 Ų | 17.6 | 12% | 0.115 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 171.2 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | L845 E847 S853 T889 Q892 I893 | L845-V849 HydrophobicContact CD1-CG2 4.16Å; L845-V849 WeakPolarHBondContact O-CB 3.45Å; L845-V849 WeakPolarHBondContact O-CG2 3.44Å; L845-V849 PolarHBondContact O-N 3.02Å; E847-V849 VanDerWaalsContact C-N 3.34Å; E847-V849 PolarHBondContact O-N 2.79Å; V849-S853 WeakPolarHBondContact O-CB 3.28Å; V849-S853 PolarHBondContact O-N 2.96Å; V849-T889 HydrophobicContact CG2-CG2 4.15Å; V849-Q892 HydrophobicContact CG1-CB 4.01Å; V849-Q892 HydrophobicContact CG2-CB 3.7Å; V849-Q892 HydrophobicContact CG2-CG 4.46Å; V849-I893 HydrophobicContact CG1-CD1 4.07Å |
| 850 | A | 98 | Very high | 98.1 | Very high | 20 Ų | 20 | 19.4 Ų | 19.4 | 17% | 0.165 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.4 | -38.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E846 E847 R848 R854 L1035 | E846-A850 PolarHBondContact O-N 3.06Å; E846-A850 VanDerWaalsContact O-N 3.17Å; E847-A850 CarbonylContact O-C 3.59Å; E847-A850 WeakPolarHBondContact O-CA 3.29Å; E847-A850 WeakPolarHBondContact O-CB 3.34Å; E847-A850 PolarHBondContact O-N 3.28Å; E847-A850 VanDerWaalsContact O-N 3.07Å; R848-A850 VanDerWaalsContact C-N 3.3Å; R848-A850 PolarHBondContact O-N 2.9Å; A850-R854 WeakPolarHBondContact O-CB 3.45Å; A850-R854 PolarHBondContact O-N 2.75Å; A850-L1035 HydrophobicContact CB-CB 4.05Å |
| 851 | V | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.5 | -54.2 | 174 | 167.5 | 0 | 0 | 0 | 0 | 111.2 | L776 L777 C838 I839 T842 E847 R848 S853 R854 I855 Y1031 | L776-V851 HydrophobicContact CD2-CG1 3.74Å; L777-V851 HydrophobicContact CD1-CG2 3.86Å; L777-V851 HydrophobicContact CD2-CG2 4.21Å; L777-V851 HydrophobicContact CG-CG2 4.19Å; C838-V851 HydrophobicContact CB-CG1 4.13Å; I839-V851 HydrophobicContact CG1-CG1 3.84Å; T842-V851 HydrophobicContact CG2-CG2 4.42Å; E847-V851 WeakPolarHBondContact O-CG2 3.07Å; E847-V851 PolarHBondContact O-N 3.49Å; R848-V851 WeakPolarHBondContact O-CB 3.25Å; R848-V851 PolarHBondContact O-N 3Å; V851-S853 VanDerWaalsContact C-N 3.33Å; V851-S853 PolarHBondContact O-N 3.34Å; V851-R854 WeakPolarHBondContact O-CB 3.33Å; V851-R854 PolarHBondContact O-N 3.41Å; V851-R854 VanDerWaalsContact O-N 3.08Å; V851-I855 HydrophobicContact CG1-CD1 3.97Å; V851-I855 WeakPolarHBondContact O-CG1 3.39Å; V851-I855 PolarHBondContact O-N 3.21Å; V851-Y1031 HydrophobicContact CG2-CE2 4.23Å |
| 852 | V | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.7 | -43.7 | 179.2 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | I839 R848 R854 I855 I856 M878 T889 F890 I893 | I839-V852 HydrophobicContact CD1-CG2 4.05Å; I839-V852 HydrophobicContact CG1-CG2 3.87Å; I839-V852 HydrophobicContact CG2-CG2 4.01Å; R848-V852 WeakPolarHBondContact O-CG2 3.36Å; R848-V852 PolarHBondContact O-N 3.44Å; V852-R854 VanDerWaalsContact C-N 3.3Å; V852-R854 PolarHBondContact O-N 3.3Å; V852-I855 PolarHBondContact O-N 3.27Å; V852-I856 HydrophobicContact CG1-CD1 4.04Å; V852-I856 WeakPolarHBondContact O-CG1 3.27Å; V852-I856 PolarHBondContact O-N 3.37Å; V852-M878 HydrophobicContact CG1-CE 4.04Å; V852-M878 HydrophobicContact CG1-SD 4.16Å; V852-T889 HydrophobicContact CB-CG2 4.32Å; V852-T889 HydrophobicContact CG2-CG2 3.76Å; V852-F890 HydrophobicContact CG1-CE1 4.14Å; V852-I893 HydrophobicContact CB-CD1 3.83Å; V852-I893 HydrophobicContact CG1-CD1 3.59Å; V852-I893 HydrophobicContact CG1-CG1 3.95Å |
| 853 | S | 98.1 | Very high | 98.1 | Very high | 23 Ų | 23 | 19.1 Ų | 19.1 | 16% | 0.161 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.5 | -41.4 | 174.3 | 169.9 | 0 | 0 | 0 | 0 | 112.1 | V849 V851 I856 E857 Q897 | V849-S853 WeakPolarHBondContact O-CB 3.28Å; V849-S853 PolarHBondContact O-N 2.96Å; V851-S853 VanDerWaalsContact C-N 3.33Å; V851-S853 PolarHBondContact O-N 3.34Å; S853-I856 PolarHBondContact O-N 3.04Å; S853-E857 WeakPolarHBondContact O-CG 3.44Å; S853-E857 PolarHBondContact O-N 2.66Å; S853-Q897 PolarHBondContact O-NE2 3.11Å; S853-Q897 PolarHBondContact OG-NE2 3.37Å; S853-Q897 PolarHBondContact OG-OE1 3.01Å |
| 854 | R | 98.2 | Very high | 98 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.7 | -38.7 | 178.3 | -173 | 64.6 | 60.8 | 81 | 9.2 | 112.1 | L776 L777 A850 V851 V852 I856 E857 I858 L1035 S1037 | L776-R854 HydrophobicContact CD1-CG 4.42Å; L776-R854 HydrophobicContact CG-CG 4.48Å; L777-R854 HydrophobicContact CD2-CB 3.82Å; L777-R854 HydrophobicContact CD2-CG 4.03Å; L777-R854 PolarHBondContact O-NH1 3.42Å; A850-R854 WeakPolarHBondContact O-CB 3.45Å; A850-R854 PolarHBondContact O-N 2.75Å; V851-R854 WeakPolarHBondContact O-CB 3.33Å; V851-R854 PolarHBondContact O-N 3.41Å; V851-R854 VanDerWaalsContact O-N 3.08Å; V852-R854 VanDerWaalsContact C-N 3.3Å; V852-R854 PolarHBondContact O-N 3.3Å; R854-I856 VanDerWaalsContact C-N 3.35Å; R854-E857 IonicContact NE-OE2 2.79Å; R854-E857 WeakPolarHBondContact O-CB 3.34Å; R854-E857 PolarHBondContact O-N 3.04Å; R854-I858 HydrophobicContact CG-CD1 4.41Å; R854-I858 WeakPolarHBondContact O-CG1 3.25Å; R854-I858 PolarHBondContact O-N 2.96Å; R854-L1035 PolarHBondContact NH2-O 3.29Å; R854-S1037 PolarHBondContact NE-OG 2.82Å |
| 855 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.3 | -39.7 | 177.3 | -63.3 | 166 | 0 | 0 | 0 | 110.5 | L776 F835 I839 V851 V852 E857 I858 L859 V874 M878 | L776-I855 HydrophobicContact CD1-CG1 4.19Å; L776-I855 HydrophobicContact CD2-CD1 3.95Å; L776-I855 HydrophobicContact CD2-CG1 3.82Å; F835-I855 HydrophobicContact CB-CD1 4.09Å; F835-I855 HydrophobicContact CD1-CD1 3.83Å; F835-I855 HydrophobicContact CD1-CG1 3.74Å; F835-I855 HydrophobicContact CD1-CG2 4.03Å; F835-I855 HydrophobicContact CE1-CG1 4.16Å; F835-I855 HydrophobicContact CE1-CG2 4.24Å; F835-I855 HydrophobicContact CG-CD1 4.29Å; F835-I855 HydrophobicContact CG-CG2 4.24Å; I839-I855 HydrophobicContact CD1-CD1 3.78Å; I839-I855 HydrophobicContact CG1-CD1 3.79Å; V851-I855 HydrophobicContact CG1-CD1 3.97Å; V851-I855 WeakPolarHBondContact O-CG1 3.39Å; V851-I855 PolarHBondContact O-N 3.21Å; V852-I855 PolarHBondContact O-N 3.27Å; I855-E857 VanDerWaalsContact C-N 3.29Å; I855-E857 PolarHBondContact O-N 3.46Å; I855-I858 WeakPolarHBondContact O-CB 3.21Å; I855-I858 PolarHBondContact O-N 3.1Å; I855-L859 PolarHBondContact O-N 2.79Å; I855-V874 HydrophobicContact CG2-CB 4.37Å; I855-V874 HydrophobicContact CG2-CG1 3.61Å; I855-V874 HydrophobicContact CG2-CG2 3.96Å; I855-M878 HydrophobicContact CB-CE 3.74Å; I855-M878 HydrophobicContact CD1-CE 4.44Å; I855-M878 HydrophobicContact CG2-CE 3.48Å; I855-M878 VanDerWaalsContact CG2-CE 3.48Å |
| 856 | I | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.3 | -32.6 | 174.7 | -61.8 | 167.6 | 0 | 0 | 0 | 111.6 | V852 S853 R854 L859 Q860 M878 I893 Q897 I900 L901 | V852-I856 HydrophobicContact CG1-CD1 4.04Å; V852-I856 WeakPolarHBondContact O-CG1 3.27Å; V852-I856 PolarHBondContact O-N 3.37Å; S853-I856 PolarHBondContact O-N 3.04Å; R854-I856 VanDerWaalsContact C-N 3.35Å; I856-L859 WeakPolarHBondContact O-CB 3.38Å; I856-L859 PolarHBondContact O-N 3.2Å; I856-Q860 PolarHBondContact O-N 2.9Å; I856-M878 HydrophobicContact CG1-CE 4.17Å; I856-I893 HydrophobicContact CD1-CG2 3.87Å; I856-Q897 HydrophobicContact CB-CB 4.41Å; I856-Q897 HydrophobicContact CB-CG 4.47Å; I856-Q897 HydrophobicContact CD1-CB 4.15Å; I856-Q897 HydrophobicContact CG2-CB 3.74Å; I856-Q897 HydrophobicContact CG2-CG 3.91Å; I856-I900 HydrophobicContact CG2-CB 4.41Å; I856-I900 HydrophobicContact CG2-CG2 4.29Å; I856-L901 HydrophobicContact CD1-CD2 4.36Å |
| 857 | E | 98.2 | Very high | 98 | Very high | 27 Ų | 27 | 17 Ų | 17 | 13% | 0.126 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.8 | -42.8 | 171.3 | -79.2 | 177.9 | 164.8 | 0 | 0 | 112.4 | P781 S853 R854 I855 L859 Q860 V861 S1037 V1040 | P781-E857 HydrophobicContact CB-CB 4.43Å; S853-E857 WeakPolarHBondContact O-CG 3.44Å; S853-E857 PolarHBondContact O-N 2.66Å; R854-E857 IonicContact NE-OE2 2.79Å; R854-E857 WeakPolarHBondContact O-CB 3.34Å; R854-E857 PolarHBondContact O-N 3.04Å; I855-E857 VanDerWaalsContact C-N 3.29Å; I855-E857 PolarHBondContact O-N 3.46Å; E857-L859 VanDerWaalsContact C-N 3.34Å; E857-Q860 WeakPolarHBondContact O-CB 3.4Å; E857-Q860 PolarHBondContact O-N 3.35Å; E857-V861 PolarHBondContact O-N 2.9Å; E857-S1037 VanDerWaalsContact CD-OG 3.29Å; E857-S1037 PolarHBondContact OE1-OG 3.29Å; E857-S1037 WeakPolarHBondContact OE2-CB 3.24Å; E857-S1037 PolarHBondContact OE2-OG 2.78Å; E857-V1040 HydrophobicContact CB-CG1 3.55Å; E857-V1040 HydrophobicContact CG-CG1 3.96Å; E857-V1040 WeakPolarHBondContact O-CG1 3.5Å |
| 858 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.7 | -44.5 | 173.8 | -67.5 | 161.7 | 0 | 0 | 0 | 110.4 | L776 P781 I784 A785 F835 R854 I855 Q860 V861 F862 | L776-I858 HydrophobicContact CD1-CD1 3.57Å; P781-I858 HydrophobicContact CB-CG1 4.1Å; I784-I858 HydrophobicContact CB-CD1 4.27Å; I784-I858 HydrophobicContact CB-CG1 4.39Å; I784-I858 HydrophobicContact CD1-CD1 3.95Å; I784-I858 HydrophobicContact CG2-CD1 3.77Å; I784-I858 HydrophobicContact CG2-CG1 4.18Å; I784-I858 HydrophobicContact CG2-CG2 4.25Å; A785-I858 HydrophobicContact CB-CG2 4.17Å; F835-I858 HydrophobicContact CE1-CD1 4.48Å; R854-I858 HydrophobicContact CG-CD1 4.41Å; R854-I858 WeakPolarHBondContact O-CG1 3.25Å; R854-I858 PolarHBondContact O-N 2.96Å; I855-I858 WeakPolarHBondContact O-CB 3.21Å; I855-I858 PolarHBondContact O-N 3.1Å; I858-Q860 VanDerWaalsContact C-N 3.28Å; I858-Q860 PolarHBondContact O-N 2.86Å; I858-V861 PolarHBondContact O-N 3.41Å; I858-V861 VanDerWaalsContact O-N 3.07Å; I858-F862 HydrophobicContact CG2-CD2 3.98Å; I858-F862 HydrophobicContact CG2-CE2 3.53Å; I858-F862 HydrophobicContact CG2-CZ 3.89Å; I858-F862 PolarHBondContact O-N 3.35Å |
| 859 | L | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -54.7 | -41.7 | 173.5 | 166 | 65.3 | 0 | 0 | 0 | 112.5 | I855 I856 E857 V861 F862 Q863 V871 V874 I900 L901 A904 | I855-L859 PolarHBondContact O-N 2.79Å; I856-L859 WeakPolarHBondContact O-CB 3.38Å; I856-L859 PolarHBondContact O-N 3.2Å; E857-L859 VanDerWaalsContact C-N 3.34Å; L859-V861 VanDerWaalsContact C-N 3.3Å; L859-V861 PolarHBondContact O-N 3.48Å; L859-F862 PolarHBondContact O-N 3.3Å; L859-Q863 HydrophobicContact CD1-CG 4.48Å; L859-Q863 PolarHBondContact O-N 3.09Å; L859-V871 HydrophobicContact CD1-CB 3.97Å; L859-V871 HydrophobicContact CD1-CG1 3.79Å; L859-V871 HydrophobicContact CD1-CG2 3.88Å; L859-V874 HydrophobicContact CB-CB 4.23Å; L859-V874 HydrophobicContact CB-CG1 3.94Å; L859-V874 HydrophobicContact CB-CG2 4.24Å; L859-V874 HydrophobicContact CD1-CB 4.38Å; L859-V874 HydrophobicContact CD2-CG1 4.1Å; L859-V874 HydrophobicContact CG-CG1 4.44Å; L859-I900 HydrophobicContact CD2-CG2 4.26Å; L859-I900 HydrophobicContact CG-CG2 4.45Å; L859-L901 HydrophobicContact CD2-CD1 4.02Å; L859-A904 HydrophobicContact CD1-CB 4.01Å; L859-A904 HydrophobicContact CD2-CB 3.94Å; L859-A904 HydrophobicContact CG-CB 4.48Å |
| 860 | Q | 97.8 | Very high | 97.9 | Very high | 37 Ų | 37 | 16.4 Ų | 16.4 | 17% | 0.173 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.7 | -42.5 | 177.7 | -164.7 | -165.9 | -51.2 | 0 | 0 | 111.1 | I856 E857 I858 Q863 E864 I900 | I856-Q860 PolarHBondContact O-N 2.9Å; E857-Q860 WeakPolarHBondContact O-CB 3.4Å; E857-Q860 PolarHBondContact O-N 3.35Å; I858-Q860 VanDerWaalsContact C-N 3.28Å; I858-Q860 PolarHBondContact O-N 2.86Å; Q860-Q863 PolarHBondContact O-N 2.88Å; Q860-E864 PolarHBondContact NE2-OE1 3.06Å; Q860-E864 WeakPolarHBondContact O-CG 3.39Å; Q860-E864 PolarHBondContact O-N 3.09Å; Q860-E864 VanDerWaalsContact O-N 3.12Å; Q860-I900 HydrophobicContact CG-CD1 4.33Å |
| 861 | V | 98.1 | Very high | 98 | Very high | 5 Ų | 5 | 15.5 Ų | 15.5 | 3% | 0.03 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.8 | -36.5 | 178.8 | -176 | 0 | 0 | 0 | 0 | 111.2 | I782 A785 E857 I858 L859 Q863 E864 L865 V1040 | I782-V861 HydrophobicContact CG1-CG2 4.19Å; I782-V861 HydrophobicContact CG2-CG1 4.41Å; A785-V861 HydrophobicContact CB-CB 3.54Å; A785-V861 HydrophobicContact CB-CG1 3.45Å; A785-V861 VanDerWaalsContact CB-CG1 3.45Å; A785-V861 HydrophobicContact CB-CG2 4.5Å; E857-V861 PolarHBondContact O-N 2.9Å; I858-V861 PolarHBondContact O-N 3.41Å; I858-V861 VanDerWaalsContact O-N 3.07Å; L859-V861 VanDerWaalsContact C-N 3.3Å; L859-V861 PolarHBondContact O-N 3.48Å; V861-Q863 VanDerWaalsContact C-N 3.32Å; V861-Q863 PolarHBondContact O-N 3.29Å; V861-E864 PolarHBondContact O-N 3.35Å; V861-L865 HydrophobicContact CG1-CD1 3.91Å; V861-L865 HydrophobicContact CG1-CG 4.26Å; V861-L865 WeakPolarHBondContact O-CB 3.45Å; V861-L865 WeakPolarHBondContact O-CG 3.39Å; V861-L865 PolarHBondContact O-N 3.46Å; V861-V1040 HydrophobicContact CG2-CB 3.84Å; V861-V1040 HydrophobicContact CG2-CG1 3.83Å |
| 862 | F | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.6 | -41.2 | 172 | -71.6 | -39.5 | 0 | 0 | 0 | 112.6 | A785 L788 I858 L859 E864 L865 N866 N867 G870 V871 V874 | A785-F862 HydrophobicContact CB-CD1 3.97Å; A785-F862 HydrophobicContact CB-CE1 3.99Å; A785-F862 WeakPolarHBondContact O-CE1 3.38Å; L788-F862 HydrophobicContact CB-CE1 3.9Å; L788-F862 HydrophobicContact CB-CZ 3.89Å; L788-F862 HydrophobicContact CD1-CZ 3.86Å; I858-F862 HydrophobicContact CG2-CD2 3.98Å; I858-F862 HydrophobicContact CG2-CE2 3.53Å; I858-F862 HydrophobicContact CG2-CZ 3.89Å; I858-F862 PolarHBondContact O-N 3.35Å; L859-F862 PolarHBondContact O-N 3.3Å; F862-E864 VanDerWaalsContact C-N 3.35Å; F862-E864 PolarHBondContact O-N 2.83Å; F862-L865 CarbonylContact O-C 3.5Å; F862-L865 PolarHBondContact O-N 3.49Å; F862-N866 PolarHBondContact O-N 3.28Å; F862-N866 VanDerWaalsContact O-N 3.14Å; F862-N867 HydrophobicContact CB-CB 4.23Å; F862-N867 HydrophobicContact CD1-CB 3.94Å; F862-N867 WeakPolarHBondContact CD1-ND2 3.19Å; F862-N867 WeakPolarHBondContact CE1-ND2 3.13Å; F862-N867 HydrophobicContact CG-CB 4.42Å; F862-N867 PolarHBondContact O-N 3.49Å; F862-G870 WeakPolarHBondContact CD2-O 3.22Å; F862-V871 HydrophobicContact CB-CG2 3.83Å; F862-V874 HydrophobicContact CD2-CG2 4.4Å; F862-V874 HydrophobicContact CE2-CG2 4.28Å |
| 863 | Q | 96.4 | Very high | 97.9 | Very high | 38 Ų | 38 | 16 Ų | 16 | 18% | 0.178 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | 174.5 | -71.1 | -162 | 45.3 | 0 | 0 | 112.4 | L859 Q860 V861 L865 N866 V871 | L859-Q863 HydrophobicContact CD1-CG 4.48Å; L859-Q863 PolarHBondContact O-N 3.09Å; Q860-Q863 PolarHBondContact O-N 2.88Å; V861-Q863 VanDerWaalsContact C-N 3.32Å; V861-Q863 PolarHBondContact O-N 3.29Å; Q863-L865 VanDerWaalsContact C-N 3.3Å; Q863-L865 PolarHBondContact O-N 3.14Å; Q863-N866 PolarHBondContact O-N 2.84Å; Q863-V871 HydrophobicContact CB-CG2 4.47Å; Q863-V871 HydrophobicContact CG-CG2 3.62Å |
| 864 | E | 96.1 | Very high | 97.9 | Very high | 114 Ų | 114 | 14.9 Ų | 14.9 | 53% | 0.533 | 7% | 0.072 | S | C | . | . | H | α-helix | trans | -66.7 | -32.1 | 177.3 | -69.7 | 172.4 | -162.4 | 0 | 0 | 112.2 | Q860 V861 F862 N866 | Q860-E864 PolarHBondContact NE2-OE1 3.06Å; Q860-E864 WeakPolarHBondContact O-CG 3.39Å; Q860-E864 PolarHBondContact O-N 3.09Å; Q860-E864 VanDerWaalsContact O-N 3.12Å; V861-E864 PolarHBondContact O-N 3.35Å; F862-E864 VanDerWaalsContact C-N 3.35Å; F862-E864 PolarHBondContact O-N 2.83Å; E864-N866 VanDerWaalsContact C-N 3.33Å |
| 865 | L | 97.2 | Very high | 97.9 | Very high | 32 Ų | 32 | 15 Ų | 15 | 17% | 0.168 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 2.7 | 176.9 | -67.6 | 175.2 | 0 | 0 | 0 | 113.6 | R786 T789 V861 F862 Q863 N867 Y979 L981 | R786-L865 HydrophobicContact CG-CD1 4.1Å; T789-L865 HydrophobicContact CG2-CB 4.31Å; T789-L865 HydrophobicContact CG2-CD1 4.33Å; V861-L865 HydrophobicContact CG1-CD1 3.91Å; V861-L865 HydrophobicContact CG1-CG 4.26Å; V861-L865 WeakPolarHBondContact O-CB 3.45Å; V861-L865 WeakPolarHBondContact O-CG 3.39Å; V861-L865 PolarHBondContact O-N 3.46Å; F862-L865 CarbonylContact O-C 3.5Å; F862-L865 PolarHBondContact O-N 3.49Å; Q863-L865 VanDerWaalsContact C-N 3.3Å; Q863-L865 PolarHBondContact O-N 3.14Å; L865-N867 PolarHBondContact O-N 3.32Å; L865-N867 VanDerWaalsContact O-N 3.17Å; L865-Y979 HydrophobicContact CB-CE1 4.3Å; L865-Y979 WeakPolarHBondContact O-CE1 3.36Å; L865-Y979 PolarHBondContact O-OH 3.29Å; L865-L981 HydrophobicContact CD1-CD1 4.4Å; L865-L981 HydrophobicContact CD2-CD1 4.27Å |
| 866 | N | 97.7 | Very high | 97.8 | Very high | 35 Ų | 35 | 18.1 Ų | 18.1 | 19% | 0.187 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 30.7 | -171.4 | -55.5 | -45 | 0 | 0 | 0 | 113.5 | F862 Q863 E864 F868 C926 V927 | F862-N866 PolarHBondContact O-N 3.28Å; F862-N866 VanDerWaalsContact O-N 3.14Å; Q863-N866 PolarHBondContact O-N 2.84Å; E864-N866 VanDerWaalsContact C-N 3.33Å; N866-F868 HydrophobicContact CB-CE2 4.2Å; N866-F868 WeakPolarHBondContact O-CD2 3.35Å; N866-F868 PolarHBondContact O-N 3.47Å; N866-C926 HydrophobicContact CB-CB 3.64Å; N866-C926 WeakPolarHBondContact O-CA 3.35Å; N866-C926 WeakPolarHBondContact O-CB 3.29Å; N866-V927 PolarHBondContact O-N 2.99Å |
| 867 | N | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.095 | C | C | . | . | B | Isolated β-bridge | trans | -85.7 | 84.3 | 171.7 | -178.3 | 2.1 | 0 | 0 | 0 | 109.2 | T789 E792 F862 L865 N869 G870 V871 V927 | T789-N867 HydrophobicContact CG2-CB 3.98Å; T789-N867 PolarHBondContact OG1-ND2 3.08Å; E792-N867 PolarHBondContact OE1-ND2 3.45Å; E792-N867 PolarHBondContact OE2-ND2 3.25Å; E792-N867 PolarHBondContact OE2-OD1 3Å; F862-N867 HydrophobicContact CB-CB 4.23Å; F862-N867 HydrophobicContact CD1-CB 3.94Å; F862-N867 WeakPolarHBondContact CD1-ND2 3.19Å; F862-N867 WeakPolarHBondContact CE1-ND2 3.13Å; F862-N867 HydrophobicContact CG-CB 4.42Å; F862-N867 PolarHBondContact O-N 3.49Å; L865-N867 PolarHBondContact O-N 3.32Å; L865-N867 VanDerWaalsContact O-N 3.17Å; N867-N869 VanDerWaalsContact C-N 3.29Å; N867-N869 PolarHBondContact O-N 3.3Å; N867-N869 PolarHBondContact OD1-N 2.84Å; N867-G870 PolarHBondContact OD1-N 3.44Å; N867-V871 VanDerWaalsContact O-CG2 3.25Å; N867-V871 WeakPolarHBondContact O-CG2 3.12Å; N867-V871 PolarHBondContact O-N 3.24Å; N867-V927 HydrophobicContact CB-CB 4.46Å; N867-V927 HydrophobicContact CB-CG2 4.49Å; N867-V927 WeakPolarHBondContact OD1-CB 3.35Å |
| 868 | F | 98 | Very high | 97.7 | Very high | 3 Ų | 3 | 17 Ų | 17 | 1% | 0.013 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -72.4 | -24.1 | -179.7 | -60.1 | -76.3 | 0 | 0 | 0 | 113.2 | N866 L872 Y915 K918 L919 I922 C926 V927 | N866-F868 HydrophobicContact CB-CE2 4.2Å; N866-F868 WeakPolarHBondContact O-CD2 3.35Å; N866-F868 PolarHBondContact O-N 3.47Å; F868-L872 PolarHBondContact O-N 3.49Å; F868-L872 VanDerWaalsContact O-N 3.12Å; F868-Y915 HydrophobicContact CB-CD2 4.26Å; F868-Y915 HydrophobicContact CB-CE2 3.61Å; F868-Y915 HydrophobicContact CD1-CD2 4.07Å; F868-Y915 HydrophobicContact CD1-CE2 4.07Å; F868-Y915 HydrophobicContact CD2-CE2 4.22Å; F868-Y915 HydrophobicContact CG-CD2 4.2Å; F868-Y915 AromaticContact CG-CE2 3.72Å; F868-Y915 HydrophobicContact CG-CE2 3.72Å; F868-K918 HydrophobicContact CE1-CD 3.88Å; F868-K918 HydrophobicContact CE1-CG 3.96Å; F868-K918 HydrophobicContact CZ-CD 4.43Å; F868-K918 HydrophobicContact CZ-CG 4.06Å; F868-L919 HydrophobicContact CD2-CD1 4.19Å; F868-L919 HydrophobicContact CE2-CD1 3.97Å; F868-I922 HydrophobicContact CE2-CG1 4.03Å; F868-I922 HydrophobicContact CZ-CG1 4.21Å; F868-I922 HydrophobicContact CZ-CG2 4.31Å; F868-C926 HydrophobicContact CE2-CB 4.4Å; F868-V927 WeakPolarHBondContact CA-O 3.38Å; F868-V927 WeakPolarHBondContact CB-O 3.41Å; F868-V927 PolarHBondContact N-O 2.95Å |
| 869 | N | 97.7 | Very high | 97.6 | Very high | 6 Ų | 6 | 19.5 Ų | 19.5 | 3% | 0.032 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.8 | -56.6 | 172 | -177.9 | 71.1 | 0 | 0 | 0 | 110.3 | E792 T828 N867 V871 L872 E873 V927 | E792-N869 PolarHBondContact OE2-ND2 3.35Å; T828-N869 PolarHBondContact OG1-OD1 3.47Å; N867-N869 VanDerWaalsContact C-N 3.29Å; N867-N869 PolarHBondContact O-N 3.3Å; N867-N869 PolarHBondContact OD1-N 2.84Å; N869-V871 VanDerWaalsContact C-N 3.29Å; N869-V871 PolarHBondContact O-N 3.48Å; N869-L872 PolarHBondContact O-N 2.94Å; N869-E873 PolarHBondContact ND2-OE1 3.09Å; N869-E873 WeakPolarHBondContact O-CG 3.44Å; N869-E873 PolarHBondContact O-N 3.02Å; N869-V927 HydrophobicContact CB-CB 4.48Å; N869-V927 HydrophobicContact CB-CG1 3.73Å; N869-V927 PolarHBondContact N-O 3.46Å |
| 870 | G | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.3 | -35.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E792 F862 N867 L872 E873 V874 | E792-G870 PolarHBondContact OE2-N 3.09Å; E792-G870 VanDerWaalsContact OE2-N 3.09Å; F862-G870 WeakPolarHBondContact CD2-O 3.22Å; N867-G870 PolarHBondContact OD1-N 3.44Å; G870-L872 PolarHBondContact O-N 2.67Å; G870-E873 WeakPolarHBondContact CA-OE2 3.14Å; G870-E873 PolarHBondContact O-N 3.29Å; G870-V874 PolarHBondContact O-N 2.91Å |
| 871 | V | 98.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.8 | -48.4 | 171.7 | 165.2 | 0 | 0 | 0 | 0 | 111.2 | L859 F862 Q863 N867 N869 V874 V875 A904 L907 | L859-V871 HydrophobicContact CD1-CB 3.97Å; L859-V871 HydrophobicContact CD1-CG1 3.79Å; L859-V871 HydrophobicContact CD1-CG2 3.88Å; F862-V871 HydrophobicContact CB-CG2 3.83Å; Q863-V871 HydrophobicContact CB-CG2 4.47Å; Q863-V871 HydrophobicContact CG-CG2 3.62Å; N867-V871 VanDerWaalsContact O-CG2 3.25Å; N867-V871 WeakPolarHBondContact O-CG2 3.12Å; N867-V871 PolarHBondContact O-N 3.24Å; N869-V871 VanDerWaalsContact C-N 3.29Å; N869-V871 PolarHBondContact O-N 3.48Å; V871-V874 PolarHBondContact O-N 3.28Å; V871-V875 WeakPolarHBondContact O-CG2 3.43Å; V871-V875 PolarHBondContact O-N 3.49Å; V871-V875 VanDerWaalsContact O-N 3.09Å; V871-A904 HydrophobicContact CG1-CB 4.15Å; V871-L907 HydrophobicContact CG1-CD1 3.96Å |
| 872 | L | 97.2 | Very high | 97.5 | Very high | 9 Ų | 9 | 22.4 Ų | 22.4 | 5% | 0.047 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -78.9 | -22.3 | -176.4 | -69.4 | 179.1 | 0 | 0 | 0 | 113.4 | F868 N869 G870 V875 S876 Y912 F929 | F868-L872 PolarHBondContact O-N 3.49Å; F868-L872 VanDerWaalsContact O-N 3.12Å; N869-L872 PolarHBondContact O-N 2.94Å; G870-L872 PolarHBondContact O-N 2.67Å; L872-V875 HydrophobicContact CD2-CB 4.36Å; L872-V875 PolarHBondContact O-N 3.23Å; L872-S876 VanDerWaalsContact O-CB 3.27Å; L872-S876 WeakPolarHBondContact O-CB 3.31Å; L872-S876 PolarHBondContact O-N 3.21Å; L872-S876 PolarHBondContact O-OG 3.49Å; L872-Y912 HydrophobicContact CD1-CE1 4.06Å; L872-F929 HydrophobicContact CB-CD2 4.25Å; L872-F929 HydrophobicContact CB-CE2 4.48Å; L872-F929 HydrophobicContact CD1-CB 3.63Å; L872-F929 HydrophobicContact CD1-CD1 3.62Å; L872-F929 HydrophobicContact CD1-CD2 3.55Å; L872-F929 HydrophobicContact CD1-CE1 4.12Å; L872-F929 HydrophobicContact CD1-CE2 4.05Å; L872-F929 HydrophobicContact CD1-CG 3.3Å; L872-F929 HydrophobicContact CD1-CZ 4.31Å |
| 873 | E | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.6 | -46.7 | 167.6 | -74 | 166.3 | 173.7 | 0 | 0 | 111 | T828 L831 N869 G870 S876 A877 | T828-E873 WeakPolarHBondContact CA-OE1 3.37Å; T828-E873 WeakPolarHBondContact CB-OE1 3.05Å; T828-E873 HydrophobicContact CG2-CG 3.54Å; T828-E873 WeakPolarHBondContact CG2-OE1 3.43Å; T828-E873 PolarHBondContact OG1-OE1 3.06Å; L831-E873 WeakPolarHBondContact CD2-OE2 3.45Å; N869-E873 PolarHBondContact ND2-OE1 3.09Å; N869-E873 WeakPolarHBondContact O-CG 3.44Å; N869-E873 PolarHBondContact O-N 3.02Å; G870-E873 WeakPolarHBondContact CA-OE2 3.14Å; G870-E873 PolarHBondContact O-N 3.29Å; E873-S876 PolarHBondContact O-N 3.43Å; E873-A877 PolarHBondContact O-N 2.64Å |
| 874 | V | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.8 | -45 | 175.4 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | F835 I855 L859 F862 G870 V871 S876 A877 M878 | F835-V874 HydrophobicContact CD2-CG2 4.34Å; F835-V874 HydrophobicContact CE2-CG2 3.83Å; F835-V874 HydrophobicContact CZ-CG2 4.24Å; I855-V874 HydrophobicContact CG2-CB 4.37Å; I855-V874 HydrophobicContact CG2-CG1 3.61Å; I855-V874 HydrophobicContact CG2-CG2 3.96Å; L859-V874 HydrophobicContact CB-CB 4.23Å; L859-V874 HydrophobicContact CB-CG1 3.94Å; L859-V874 HydrophobicContact CB-CG2 4.24Å; L859-V874 HydrophobicContact CD1-CB 4.38Å; L859-V874 HydrophobicContact CD2-CG1 4.1Å; L859-V874 HydrophobicContact CG-CG1 4.44Å; F862-V874 HydrophobicContact CD2-CG2 4.4Å; F862-V874 HydrophobicContact CE2-CG2 4.28Å; G870-V874 PolarHBondContact O-N 2.91Å; V871-V874 PolarHBondContact O-N 3.28Å; V874-S876 PolarHBondContact O-N 2.8Å; V874-A877 PolarHBondContact O-N 2.75Å; V874-M878 HydrophobicContact CG1-CE 4.23Å; V874-M878 HydrophobicContact CG1-CG 4.16Å; V874-M878 VanDerWaalsContact O-CG 3.25Å; V874-M878 WeakPolarHBondContact O-CG 3.32Å; V874-M878 PolarHBondContact O-N 2.73Å |
| 875 | V | 97.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 4% | 0.036 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.6 | -37.1 | 177.2 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | V871 L872 M878 N879 A904 | V871-V875 WeakPolarHBondContact O-CG2 3.43Å; V871-V875 PolarHBondContact O-N 3.49Å; V871-V875 VanDerWaalsContact O-N 3.09Å; L872-V875 HydrophobicContact CD2-CB 4.36Å; L872-V875 PolarHBondContact O-N 3.23Å; V875-M878 PolarHBondContact O-N 3.01Å; V875-N879 VanDerWaalsContact CG1-ND2 3.33Å; V875-N879 WeakPolarHBondContact CG1-ND2 3.46Å; V875-N879 WeakPolarHBondContact O-CB 3.33Å; V875-N879 PolarHBondContact O-N 2.81Å; V875-N879 VanDerWaalsContact O-N 3.08Å; V875-N879 PolarHBondContact O-ND2 3.49Å; V875-A904 HydrophobicContact CG2-CB 3.71Å |
| 876 | S | 96.5 | Very high | 97.7 | Very high | 65 Ų | 65 | 23 Ų | 23 | 46% | 0.455 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -66.3 | -44.7 | 177 | -60 | 0 | 0 | 0 | 0 | 111.4 | L872 E873 V874 M878 N879 S880 | L872-S876 VanDerWaalsContact O-CB 3.27Å; L872-S876 WeakPolarHBondContact O-CB 3.31Å; L872-S876 PolarHBondContact O-N 3.21Å; L872-S876 PolarHBondContact O-OG 3.49Å; E873-S876 PolarHBondContact O-N 3.43Å; V874-S876 PolarHBondContact O-N 2.8Å; S876-M878 PolarHBondContact O-N 3.17Å; S876-N879 CarbonylContact O-C 3.59Å; S876-N879 PolarHBondContact O-N 2.89Å; S876-S880 PolarHBondContact O-N 3.02Å |
| 877 | A | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.6 | -40.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T832 F835 E836 E873 V874 N879 S880 V883 | T832-A877 HydrophobicContact CG2-CB 3.96Å; F835-A877 HydrophobicContact CB-CB 3.76Å; F835-A877 HydrophobicContact CD2-CB 4.47Å; E836-A877 HydrophobicContact CG-CB 3.98Å; E873-A877 PolarHBondContact O-N 2.64Å; V874-A877 PolarHBondContact O-N 2.75Å; A877-N879 VanDerWaalsContact C-N 3.31Å; A877-N879 PolarHBondContact O-N 3.44Å; A877-S880 WeakPolarHBondContact O-CB 3.45Å; A877-S880 PolarHBondContact O-N 3.1Å; A877-S880 PolarHBondContact O-OG 2.74Å; A877-S880 VanDerWaalsContact O-OG 3.14Å; A877-V883 VanDerWaalsContact O-CB 3.28Å; A877-V883 WeakPolarHBondContact O-CB 3.43Å; A877-V883 WeakPolarHBondContact O-CG2 3.37Å |
| 878 | M | 97.9 | Very high | 97.6 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.02 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -70.7 | -27 | 179.6 | -65.4 | -66.5 | 171.6 | 0 | 0 | 113.2 | I839 V852 I855 I856 V874 V875 S876 V883 F890 L901 | I839-M878 HydrophobicContact CD1-CE 4.38Å; I839-M878 HydrophobicContact CD1-SD 4.46Å; V852-M878 HydrophobicContact CG1-CE 4.04Å; V852-M878 HydrophobicContact CG1-SD 4.16Å; I855-M878 HydrophobicContact CB-CE 3.74Å; I855-M878 HydrophobicContact CD1-CE 4.44Å; I855-M878 HydrophobicContact CG2-CE 3.48Å; I855-M878 VanDerWaalsContact CG2-CE 3.48Å; I856-M878 HydrophobicContact CG1-CE 4.17Å; V874-M878 HydrophobicContact CG1-CE 4.23Å; V874-M878 HydrophobicContact CG1-CG 4.16Å; V874-M878 VanDerWaalsContact O-CG 3.25Å; V874-M878 WeakPolarHBondContact O-CG 3.32Å; V874-M878 PolarHBondContact O-N 2.73Å; V875-M878 PolarHBondContact O-N 3.01Å; S876-M878 PolarHBondContact O-N 3.17Å; M878-V883 HydrophobicContact SD-CG1 4.21Å; M878-F890 HydrophobicContact SD-CE1 4.07Å; M878-F890 HydrophobicContact SD-CZ 3.87Å; M878-L901 HydrophobicContact CB-CD1 4.04Å; M878-L901 HydrophobicContact CB-CD2 4.16Å; M878-L901 HydrophobicContact CG-CD1 3.8Å; M878-L901 HydrophobicContact CG-CD2 4.04Å; M878-L901 HydrophobicContact SD-CD2 4.39Å |
| 879 | N | 96 | Very high | 97.6 | Very high | 54 Ų | 54 | 29.8 Ų | 29.8 | 29% | 0.289 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 4.6 | 177.1 | -69.4 | -55.2 | 0 | 0 | 0 | 113.5 | V875 S876 A877 H905 | V875-N879 VanDerWaalsContact CG1-ND2 3.33Å; V875-N879 WeakPolarHBondContact CG1-ND2 3.46Å; V875-N879 WeakPolarHBondContact O-CB 3.33Å; V875-N879 PolarHBondContact O-N 2.81Å; V875-N879 VanDerWaalsContact O-N 3.08Å; V875-N879 PolarHBondContact O-ND2 3.49Å; S876-N879 CarbonylContact O-C 3.59Å; S876-N879 PolarHBondContact O-N 2.89Å; A877-N879 VanDerWaalsContact C-N 3.31Å; A877-N879 PolarHBondContact O-N 3.44Å; N879-H905 PolarHBondContact ND2-ND1 3.12Å; N879-H905 VanDerWaalsContact ND2-ND1 3.1Å |
| 880 | S | 96.9 | Very high | 97.6 | Very high | 15 Ų | 15 | 31.3 Ų | 31.3 | 11% | 0.105 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -69.2 | 150.6 | 176.3 | 85.6 | 0 | 0 | 0 | 0 | 110.7 | E836 S876 A877 P882 V883 Y884 | E836-S880 WeakPolarHBondContact CG-OG 3.37Å; E836-S880 WeakPolarHBondContact OE1-CB 3.47Å; E836-S880 WeakPolarHBondContact OE2-CB 3.31Å; E836-S880 PolarHBondContact OE2-OG 3.39Å; S876-S880 PolarHBondContact O-N 3.02Å; A877-S880 WeakPolarHBondContact O-CB 3.45Å; A877-S880 PolarHBondContact O-N 3.1Å; A877-S880 PolarHBondContact O-OG 2.74Å; A877-S880 VanDerWaalsContact O-OG 3.14Å; S880-P882 VanDerWaalsContact C-CD 3.5Å; S880-P882 VanDerWaalsContact C-N 3.34Å; S880-P882 WeakPolarHBondContact OG-CD 3.41Å; S880-V883 PolarHBondContact O-N 2.95Å; S880-V883 VanDerWaalsContact O-N 3.09Å; S880-Y884 WeakPolarHBondContact O-CB 3.25Å; S880-Y884 PolarHBondContact O-N 3.39Å |
| 881 | S | 97.6 | Very high | 97.5 | Very high | 84 Ų | 84 | 37.9 Ų | 37.9 | 59% | 0.587 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -56.2 | -39 | -178.7 | -70.3 | 0 | 0 | 0 | 0 | 114.2 | R885 | S881-R885 WeakPolarHBondContact O-CD 3.42Å; S881-R885 WeakPolarHBondContact O-CG 3.4Å |
| 882 | P | 97.9 | Very high | 97.5 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.1 | -34.1 | 174.5 | -23.7 | 33.5 | 0 | 0 | 0 | 114.8 | V840 S880 L886 L1009 F1010 S1013 | V840-P882 HydrophobicContact CG1-CB 3.92Å; S880-P882 VanDerWaalsContact C-CD 3.5Å; S880-P882 VanDerWaalsContact C-N 3.34Å; S880-P882 WeakPolarHBondContact OG-CD 3.41Å; P882-L886 WeakPolarHBondContact O-CG 2.73Å; P882-L1009 HydrophobicContact CB-CB 4.1Å; P882-L1009 HydrophobicContact CG-CB 3.68Å; P882-F1010 HydrophobicContact CG-CB 4.24Å; P882-F1010 HydrophobicContact CG-CD2 4.44Å; P882-S1013 WeakPolarHBondContact O-CB 3.47Å; P882-S1013 PolarHBondContact O-OG 2.77Å |
| 883 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -94.6 | -47.4 | -172.9 | 178.4 | 0 | 0 | 0 | 0 | 111.7 | E836 I839 A877 M878 S880 R885 L886 F890 | E836-V883 HydrophobicContact CB-CG2 4.31Å; E836-V883 HydrophobicContact CG-CG2 4.08Å; I839-V883 HydrophobicContact CB-CG2 4.33Å; I839-V883 HydrophobicContact CD1-CG1 3.89Å; I839-V883 HydrophobicContact CD1-CG2 3.9Å; I839-V883 HydrophobicContact CG2-CG1 4.42Å; I839-V883 HydrophobicContact CG2-CG2 4.22Å; A877-V883 VanDerWaalsContact O-CB 3.28Å; A877-V883 WeakPolarHBondContact O-CB 3.43Å; A877-V883 WeakPolarHBondContact O-CG2 3.37Å; M878-V883 HydrophobicContact SD-CG1 4.21Å; S880-V883 PolarHBondContact O-N 2.95Å; S880-V883 VanDerWaalsContact O-N 3.09Å; V883-R885 PolarHBondContact O-N 3.45Å; V883-L886 VanDerWaalsContact O-CB 3.32Å; V883-L886 WeakPolarHBondContact O-CB 3.46Å; V883-L886 WeakPolarHBondContact O-CG 3.39Å; V883-L886 PolarHBondContact O-N 3.38Å; V883-F890 HydrophobicContact CG1-CE2 4.03Å; V883-F890 HydrophobicContact CG1-CZ 3.95Å; V883-F890 WeakPolarHBondContact O-CE2 3.36Å |
| 884 | Y | 97.5 | Very high | 97.4 | Very high | 149 Ų | 149 | 45.6 Ų | 45.6 | 58% | 0.584 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -51.7 | -32.5 | -174.6 | -177.7 | -97.1 | 0 | 0 | 0 | 113.6 | S880 | S880-Y884 WeakPolarHBondContact O-CB 3.25Å; S880-Y884 PolarHBondContact O-N 3.39Å |
| 885 | R | 97.7 | Very high | 97.2 | Very high | 46 Ų | 46 | 50.4 Ų | 50.4 | 17% | 0.174 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -2.8 | -177.9 | 68 | 176.1 | -64.1 | -74.1 | -13 | 115.7 | S881 V883 D887 S1013 E1017 | S881-R885 WeakPolarHBondContact O-CD 3.42Å; S881-R885 WeakPolarHBondContact O-CG 3.4Å; V883-R885 PolarHBondContact O-N 3.45Å; R885-D887 PolarHBondContact O-N 2.98Å; R885-S1013 VanDerWaalsContact CD-OG 3.28Å; R885-S1013 WeakPolarHBondContact CD-OG 3.43Å; R885-S1013 WeakPolarHBondContact CG-OG 3.43Å; R885-S1013 PolarHBondContact NH1-O 3.28Å; R885-S1013 PolarHBondContact NH1-OG 3.31Å; R885-E1017 VanDerWaalsContact CZ-O 3.24Å; R885-E1017 PolarHBondContact NH1-O 3.06Å; R885-E1017 PolarHBondContact NH2-O 3.17Å |
| 886 | L | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | trans | -81.4 | 63.4 | -175.7 | -61.7 | 178.1 | 0 | 0 | 0 | 111.1 | I839 P882 V883 H888 T889 F890 S1013 I1016 E1017 | I839-L886 HydrophobicContact CG2-CD1 3.62Å; P882-L886 WeakPolarHBondContact O-CG 2.73Å; V883-L886 VanDerWaalsContact O-CB 3.32Å; V883-L886 WeakPolarHBondContact O-CB 3.46Å; V883-L886 WeakPolarHBondContact O-CG 3.39Å; V883-L886 PolarHBondContact O-N 3.38Å; L886-H888 VanDerWaalsContact C-N 3.26Å; L886-H888 PolarHBondContact O-N 3.49Å; L886-T889 WeakPolarHBondContact O-CB 3.36Å; L886-T889 PolarHBondContact O-N 3.21Å; L886-F890 WeakPolarHBondContact O-CD2 3.28Å; L886-F890 PolarHBondContact O-N 3.4Å; L886-S1013 WeakPolarHBondContact CD2-OG 3.37Å; L886-I1016 HydrophobicContact CD1-CD1 4.24Å; L886-I1016 HydrophobicContact CD2-CD1 3.94Å; L886-I1016 HydrophobicContact CD2-CG1 3.93Å; L886-E1017 WeakPolarHBondContact CA-OE2 3.29Å; L886-E1017 HydrophobicContact CD2-CB 3.79Å; L886-E1017 HydrophobicContact CD2-CG 3.81Å | ||
| 887 | D | 97.2 | Very high | 97.1 | Very high | 114 Ų | 114 | 55 Ų | 55 | 61% | 0.61 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -54.9 | -40.8 | -174.2 | -66.1 | -31.4 | 0 | 0 | 0 | 112.1 | R885 T889 F890 E891 E1017 | R885-D887 PolarHBondContact O-N 2.98Å; D887-T889 VanDerWaalsContact C-N 3.3Å; D887-T889 PolarHBondContact O-N 3.49Å; D887-F890 PolarHBondContact O-N 2.96Å; D887-E891 VanDerWaalsContact O-CB 3.28Å; D887-E891 WeakPolarHBondContact O-CB 3.46Å; D887-E891 PolarHBondContact O-N 2.8Å; D887-E1017 PolarHBondContact N-OE2 3.25Å |
| 888 | H | 97.1 | Very high | 97 | Very high | 66 Ų | 66 | 58 Ų | 58 | 31% | 0.306 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69 | -31.3 | -179.3 | -63.3 | -67.6 | 0 | 0 | 0 | 112.5 | L845 L886 E1017 L1024 | L845-H888 HydrophobicContact CD1-CB 4.31Å; L886-H888 VanDerWaalsContact C-N 3.26Å; L886-H888 PolarHBondContact O-N 3.49Å; H888-E1017 WeakPolarHBondContact CB-OE2 3.43Å; H888-E1017 IonicContact CD2-OE2 3.33Å; H888-E1017 PolarHBondContact CD2-OE2 3.25Å; H888-E1017 IonicContact CG-OE2 3.69Å; H888-E1017 PolarHBondContact N-OE2 3.39Å; H888-L1024 HydrophobicContact CB-CD2 4.25Å |
| 889 | T | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.6 | -52.6 | 174.3 | -58.8 | 0 | 0 | 0 | 0 | 110.1 | R848 V849 V852 L886 D887 E891 Q892 E1017 | R848-T889 HydrophobicContact CG-CG2 4.02Å; R848-T889 PolarHBondContact NE-OG1 3.39Å; R848-T889 PolarHBondContact NH2-OG1 2.97Å; V849-T889 HydrophobicContact CG2-CG2 4.15Å; V852-T889 HydrophobicContact CB-CG2 4.32Å; V852-T889 HydrophobicContact CG2-CG2 3.76Å; L886-T889 WeakPolarHBondContact O-CB 3.36Å; L886-T889 PolarHBondContact O-N 3.21Å; D887-T889 VanDerWaalsContact C-N 3.3Å; D887-T889 PolarHBondContact O-N 3.49Å; T889-E891 VanDerWaalsContact C-N 3.27Å; T889-E891 PolarHBondContact O-N 3.49Å; T889-Q892 PolarHBondContact O-N 2.82Å; T889-E1017 PolarHBondContact N-OE1 2.84Å; T889-E1017 PolarHBondContact OG1-OE1 3.36Å |
| 890 | F | 97.2 | Very high | 96.9 | Very high | 38 Ų | 38 | 62.1 Ų | 62.1 | 17% | 0.167 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.2 | -32.3 | 179.9 | -77.3 | -72 | 0 | 0 | 0 | 111.9 | V852 M878 V883 L886 D887 Q892 I893 K898 L901 | V852-F890 HydrophobicContact CG1-CE1 4.14Å; M878-F890 HydrophobicContact SD-CE1 4.07Å; M878-F890 HydrophobicContact SD-CZ 3.87Å; V883-F890 HydrophobicContact CG1-CE2 4.03Å; V883-F890 HydrophobicContact CG1-CZ 3.95Å; V883-F890 WeakPolarHBondContact O-CE2 3.36Å; L886-F890 WeakPolarHBondContact O-CD2 3.28Å; L886-F890 PolarHBondContact O-N 3.4Å; D887-F890 PolarHBondContact O-N 2.96Å; F890-Q892 PolarHBondContact O-N 2.89Å; F890-I893 HydrophobicContact CD1-CG1 4.46Å; F890-I893 PolarHBondContact O-N 3.17Å; F890-I893 VanDerWaalsContact O-N 3.14Å; F890-K898 WeakPolarHBondContact O-CE 3.35Å; F890-K898 PolarHBondContact O-NZ 3.45Å; F890-L901 HydrophobicContact CE1-CD2 3.98Å |
| 891 | E | 96.5 | Very high | 96.9 | Very high | 138 Ų | 138 | 62.5 Ų | 62.5 | 65% | 0.645 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -53.6 | -39.6 | 175.4 | -170 | 174.3 | -168.5 | 0 | 0 | 112.3 | D887 T889 K898 | D887-E891 VanDerWaalsContact O-CB 3.28Å; D887-E891 WeakPolarHBondContact O-CB 3.46Å; D887-E891 PolarHBondContact O-N 2.8Å; T889-E891 VanDerWaalsContact C-N 3.27Å; T889-E891 PolarHBondContact O-N 3.49Å; E891-K898 PolarHBondContact O-NZ 2.96Å |
| 892 | Q | 97.2 | Very high | 96.8 | Very high | 100 Ų | 100 | 64 Ų | 64 | 47% | 0.467 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -3.4 | -177.5 | -63.8 | -173.1 | 38.6 | 0 | 0 | 115 | V849 T889 F890 | V849-Q892 HydrophobicContact CG1-CB 4.01Å; V849-Q892 HydrophobicContact CG2-CB 3.7Å; V849-Q892 HydrophobicContact CG2-CG 4.46Å; T889-Q892 PolarHBondContact O-N 2.82Å; F890-Q892 PolarHBondContact O-N 2.89Å |
| 893 | I | 97.4 | Very high | 96.6 | Very high | 5 Ų | 5 | 67.5 Ų | 67.5 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -72 | 132 | 176.1 | -62.7 | -64.1 | 0 | 0 | 0 | 110.2 | V849 V852 I856 F890 S895 Q897 K898 | V849-I893 HydrophobicContact CG1-CD1 4.07Å; V852-I893 HydrophobicContact CB-CD1 3.83Å; V852-I893 HydrophobicContact CG1-CD1 3.59Å; V852-I893 HydrophobicContact CG1-CG1 3.95Å; I856-I893 HydrophobicContact CD1-CG2 3.87Å; F890-I893 HydrophobicContact CD1-CG1 4.46Å; F890-I893 PolarHBondContact O-N 3.17Å; F890-I893 VanDerWaalsContact O-N 3.14Å; I893-S895 PolarHBondContact O-N 3.4Å; I893-Q897 HydrophobicContact CG2-CB 3.76Å; I893-K898 HydrophobicContact CB-CG 4.29Å; I893-K898 HydrophobicContact CG2-CG 4.01Å; I893-K898 VanDerWaalsContact O-CE 3.28Å; I893-K898 WeakPolarHBondContact O-CE 3.42Å |
| 894 | P | 95.8 | Very high | 96.5 | Very high | 69 Ų | 69 | 67.5 Ų | 67.5 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | trans | -50.6 | 134.4 | 175.1 | -28.1 | 33.2 | 0 | 0 | 0 | 113 | R896 Q897 K898 | P894-R896 PolarHBondContact O-N 3.02Å; P894-Q897 WeakPolarHBondContact O-CA 3.34Å; P894-Q897 WeakPolarHBondContact O-CB 3.48Å; P894-Q897 PolarHBondContact O-N 3.22Å; P894-K898 PolarHBondContact O-N 3.41Å; P894-K898 VanDerWaalsContact O-N 3.12Å | ||
| 895 | S | 95.4 | Very high | 96.3 | Very high | 100 Ų | 100 | 63.3 Ų | 63.3 | 70% | 0.699 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -55.4 | -32.5 | -177.2 | -45.9 | 0 | 0 | 0 | 0 | 113.5 | I893 Q897 K898 K899 | I893-S895 PolarHBondContact O-N 3.4Å; S895-Q897 VanDerWaalsContact C-N 3.33Å; S895-Q897 PolarHBondContact O-N 3.47Å; S895-K898 PolarHBondContact O-N 3.04Å; S895-K899 PolarHBondContact O-N 3.41Å |
| 896 | R | 95.5 | Very high | 96.1 | Very high | 145 Ų | 145 | 64.6 Ų | 64.6 | 55% | 0.547 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 174.6 | 178.8 | 179.3 | 168.5 | -165.9 | -8.8 | 112.4 | P894 I900 | P894-R896 PolarHBondContact O-N 3.02Å; R896-I900 HydrophobicContact CG-CD1 4.44Å; R896-I900 WeakPolarHBondContact O-CG1 3.14Å; R896-I900 PolarHBondContact O-N 3.26Å |
| 897 | Q | 96.1 | Very high | 95.9 | Very high | 22 Ų | 22 | 65 Ų | 65 | 10% | 0.103 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -74 | -38.4 | 178.5 | -79.7 | 178.8 | -16.2 | 0 | 0 | 111.2 | S853 I856 I893 P894 S895 K899 I900 L901 | S853-Q897 PolarHBondContact O-NE2 3.11Å; S853-Q897 PolarHBondContact OG-NE2 3.37Å; S853-Q897 PolarHBondContact OG-OE1 3.01Å; I856-Q897 HydrophobicContact CB-CB 4.41Å; I856-Q897 HydrophobicContact CB-CG 4.47Å; I856-Q897 HydrophobicContact CD1-CB 4.15Å; I856-Q897 HydrophobicContact CG2-CB 3.74Å; I856-Q897 HydrophobicContact CG2-CG 3.91Å; I893-Q897 HydrophobicContact CG2-CB 3.76Å; P894-Q897 WeakPolarHBondContact O-CA 3.34Å; P894-Q897 WeakPolarHBondContact O-CB 3.48Å; P894-Q897 PolarHBondContact O-N 3.22Å; S895-Q897 VanDerWaalsContact C-N 3.33Å; S895-Q897 PolarHBondContact O-N 3.47Å; Q897-K899 VanDerWaalsContact C-N 3.31Å; Q897-K899 PolarHBondContact O-N 3.18Å; Q897-I900 PolarHBondContact O-N 3.05Å; Q897-L901 PolarHBondContact O-N 3.2Å |
| 898 | K | 95 | Very high | 95.5 | Very high | 64 Ų | 64 | 61.3 Ų | 61.3 | 28% | 0.278 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -54.5 | -47.9 | 170.8 | -67.2 | -175.7 | 176.5 | 177.1 | 0 | 111.6 | F890 E891 I893 P894 S895 I900 L901 E902 | F890-K898 WeakPolarHBondContact O-CE 3.35Å; F890-K898 PolarHBondContact O-NZ 3.45Å; E891-K898 PolarHBondContact O-NZ 2.96Å; I893-K898 HydrophobicContact CB-CG 4.29Å; I893-K898 HydrophobicContact CG2-CG 4.01Å; I893-K898 VanDerWaalsContact O-CE 3.28Å; I893-K898 WeakPolarHBondContact O-CE 3.42Å; P894-K898 PolarHBondContact O-N 3.41Å; P894-K898 VanDerWaalsContact O-N 3.12Å; S895-K898 PolarHBondContact O-N 3.04Å; K898-I900 VanDerWaalsContact C-N 3.34Å; K898-I900 PolarHBondContact O-N 3.18Å; K898-L901 WeakPolarHBondContact O-CB 3.43Å; K898-L901 PolarHBondContact O-N 2.86Å; K898-L901 VanDerWaalsContact O-N 3.11Å; K898-E902 WeakPolarHBondContact O-CG 3.21Å; K898-E902 PolarHBondContact O-N 3.29Å |
| 899 | K | 96.4 | Very high | 95.2 | Very high | 123 Ų | 123 | 62.7 Ų | 62.7 | 54% | 0.535 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59 | -42.4 | 177.1 | -166.7 | -175.7 | -174.3 | -156.4 | 0 | 112.9 | S895 Q897 L901 E902 E903 | S895-K899 PolarHBondContact O-N 3.41Å; Q897-K899 VanDerWaalsContact C-N 3.31Å; Q897-K899 PolarHBondContact O-N 3.18Å; K899-L901 VanDerWaalsContact C-N 3.3Å; K899-L901 PolarHBondContact O-N 2.93Å; K899-E902 PolarHBondContact O-N 3.43Å; K899-E903 WeakPolarHBondContact CE-OE1 3.28Å; K899-E903 HydrophobicContact CG-CG 4.47Å; K899-E903 IonicContact NZ-OE1 3.25Å; K899-E903 PolarHBondContact NZ-OE1 3.32Å; K899-E903 WeakPolarHBondContact O-CB 3.25Å; K899-E903 WeakPolarHBondContact O-CG 3.4Å; K899-E903 PolarHBondContact O-N 2.96Å |
| 900 | I | 96.3 | Very high | 94.8 | Very high | 22 Ų | 22 | 67.8 Ų | 67.8 | 11% | 0.113 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62 | -41.1 | 176.9 | -69 | 165.7 | 0 | 0 | 0 | 110.9 | I856 L859 Q860 R896 Q897 K898 A904 | I856-I900 HydrophobicContact CG2-CB 4.41Å; I856-I900 HydrophobicContact CG2-CG2 4.29Å; L859-I900 HydrophobicContact CD2-CG2 4.26Å; L859-I900 HydrophobicContact CG-CG2 4.45Å; Q860-I900 HydrophobicContact CG-CD1 4.33Å; R896-I900 HydrophobicContact CG-CD1 4.44Å; R896-I900 WeakPolarHBondContact O-CG1 3.14Å; R896-I900 PolarHBondContact O-N 3.26Å; Q897-I900 PolarHBondContact O-N 3.05Å; K898-I900 VanDerWaalsContact C-N 3.34Å; K898-I900 PolarHBondContact O-N 3.18Å; I900-A904 WeakPolarHBondContact O-CB 3.49Å; I900-A904 PolarHBondContact O-N 3.07Å; I900-A904 VanDerWaalsContact O-N 3.09Å |
| 901 | L | 96.6 | Very high | 94.5 | Very high | 23 Ų | 23 | 73.7 Ų | 73.7 | 12% | 0.12 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.9 | -41.5 | 177.4 | -179.2 | 60.6 | 0 | 0 | 0 | 111.9 | I856 L859 M878 F890 Q897 K898 K899 A904 H905 | I856-L901 HydrophobicContact CD1-CD2 4.36Å; L859-L901 HydrophobicContact CD2-CD1 4.02Å; M878-L901 HydrophobicContact CB-CD1 4.04Å; M878-L901 HydrophobicContact CB-CD2 4.16Å; M878-L901 HydrophobicContact CG-CD1 3.8Å; M878-L901 HydrophobicContact CG-CD2 4.04Å; M878-L901 HydrophobicContact SD-CD2 4.39Å; F890-L901 HydrophobicContact CE1-CD2 3.98Å; Q897-L901 PolarHBondContact O-N 3.2Å; K898-L901 WeakPolarHBondContact O-CB 3.43Å; K898-L901 PolarHBondContact O-N 2.86Å; K898-L901 VanDerWaalsContact O-N 3.11Å; K899-L901 VanDerWaalsContact C-N 3.3Å; K899-L901 PolarHBondContact O-N 2.93Å; L901-A904 PolarHBondContact O-N 3.19Å; L901-H905 PolarHBondContact O-N 3.04Å |
| 902 | E | 95.4 | Very high | 94.3 | Very high | 114 Ų | 114 | 69.7 Ų | 69.7 | 53% | 0.533 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 174.8 | -72.2 | 164.5 | -170.2 | 0 | 0 | 111.4 | K898 K899 A904 H905 E906 | K898-E902 WeakPolarHBondContact O-CG 3.21Å; K898-E902 PolarHBondContact O-N 3.29Å; K899-E902 PolarHBondContact O-N 3.43Å; E902-A904 PolarHBondContact O-N 3.44Å; E902-H905 WeakPolarHBondContact O-CB 3.4Å; E902-H905 PolarHBondContact O-N 2.94Å; E902-E906 WeakPolarHBondContact O-CG 3.36Å; E902-E906 PolarHBondContact O-N 3.43Å |
| 903 | E | 94.7 | Very high | 94.1 | Very high | 78 Ų | 78 | 71.3 Ų | 71.3 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.1 | -34.3 | 176.1 | -73.8 | 174.9 | -169.5 | 0 | 0 | 112 | K899 | K899-E903 WeakPolarHBondContact CE-OE1 3.28Å; K899-E903 HydrophobicContact CG-CG 4.47Å; K899-E903 IonicContact NZ-OE1 3.25Å; K899-E903 PolarHBondContact NZ-OE1 3.32Å; K899-E903 WeakPolarHBondContact O-CB 3.25Å; K899-E903 WeakPolarHBondContact O-CG 3.4Å; K899-E903 PolarHBondContact O-N 2.96Å |
| 904 | A | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -72.2 | -37.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L859 V871 V875 I900 L901 E902 L907 | L859-A904 HydrophobicContact CD1-CB 4.01Å; L859-A904 HydrophobicContact CD2-CB 3.94Å; L859-A904 HydrophobicContact CG-CB 4.48Å; V871-A904 HydrophobicContact CG1-CB 4.15Å; V875-A904 HydrophobicContact CG2-CB 3.71Å; I900-A904 WeakPolarHBondContact O-CB 3.49Å; I900-A904 PolarHBondContact O-N 3.07Å; I900-A904 VanDerWaalsContact O-N 3.09Å; L901-A904 PolarHBondContact O-N 3.19Å; E902-A904 PolarHBondContact O-N 3.44Å; A904-L907 VanDerWaalsContact O-CB 3.29Å; A904-L907 WeakPolarHBondContact O-CB 3.45Å; A904-L907 PolarHBondContact O-N 3.29Å |
| 905 | H | 93.5 | Very high | 93.9 | Very high | 62 Ų | 62 | 72.8 Ų | 72.8 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 176 | -174.3 | 68.7 | 0 | 0 | 0 | 111.8 | N879 L901 E902 L907 S908 E909 | N879-H905 PolarHBondContact ND2-ND1 3.12Å; N879-H905 VanDerWaalsContact ND2-ND1 3.1Å; L901-H905 PolarHBondContact O-N 3.04Å; E902-H905 WeakPolarHBondContact O-CB 3.4Å; E902-H905 PolarHBondContact O-N 2.94Å; H905-L907 PolarHBondContact O-N 2.77Å; H905-S908 PolarHBondContact O-N 2.8Å; H905-S908 PolarHBondContact O-OG 2.91Å; H905-E909 IonicContact CD2-OE1 2.79Å |
| 906 | E | 94.6 | Very high | 93.8 | Very high | 73 Ų | 73 | 70 Ų | 70 | 34% | 0.341 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -22.6 | 176.4 | -71.8 | -178.2 | 177.6 | 0 | 0 | 113.6 | E902 S908 E909 K914 | E902-E906 WeakPolarHBondContact O-CG 3.36Å; E902-E906 PolarHBondContact O-N 3.43Å; E906-S908 PolarHBondContact O-N 3.31Å; E906-E909 PolarHBondContact O-N 2.92Å; E906-K914 HydrophobicContact CB-CD 3.95Å; E906-K914 IonicContact OE1-NZ 2.69Å; E906-K914 IonicContact OE2-NZ 3.67Å; E906-K914 PolarHBondContact OE2-NZ 3.38Å |
| 907 | L | 92.4 | Very high | 93.8 | Very high | 10 Ų | 10 | 66 Ų | 66 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -26.8 | 174.7 | -62 | 177.3 | 0 | 0 | 0 | 112.4 | V871 A904 H905 Y912 K914 Y915 K918 | V871-L907 HydrophobicContact CG1-CD1 3.96Å; A904-L907 VanDerWaalsContact O-CB 3.29Å; A904-L907 WeakPolarHBondContact O-CB 3.45Å; A904-L907 PolarHBondContact O-N 3.29Å; H905-L907 PolarHBondContact O-N 2.77Å; L907-Y912 WeakPolarHBondContact O-CA 3.49Å; L907-K914 HydrophobicContact CD2-CB 4.34Å; L907-Y915 WeakPolarHBondContact O-CB 3.41Å; L907-K918 HydrophobicContact CD2-CD 3.98Å |
| 908 | S | 89.6 | Confident | 93.7 | Very high | 35 Ų | 35 | 68 Ų | 68 | 25% | 0.245 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -14.4 | 179.4 | 69.6 | 0 | 0 | 0 | 0 | 114.2 | H905 E906 | H905-S908 PolarHBondContact O-N 2.8Å; H905-S908 PolarHBondContact O-OG 2.91Å; E906-S908 PolarHBondContact O-N 3.31Å |
| 909 | E | 89.7 | Confident | 93.6 | Very high | 95 Ų | 95 | 65 Ų | 65 | 44% | 0.444 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.7 | 162.1 | 179.9 | -65.7 | -177.9 | 168.7 | 0 | 0 | 112.9 | H905 E906 H911 Y912 K913 | H905-E909 IonicContact CD2-OE1 2.79Å; E906-E909 PolarHBondContact O-N 2.92Å; E909-H911 VanDerWaalsContact C-N 3.29Å; E909-H911 PolarHBondContact O-N 2.97Å; E909-Y912 PolarHBondContact O-N 3.14Å; E909-K913 PolarHBondContact O-N 2.65Å |
| 910 | D | 89.8 | Confident | 93.4 | Very high | 107 Ų | 107 | 66.9 Ų | 66.9 | 57% | 0.572 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | 47.4 | 48.3 | 177.1 | -164.3 | 26.2 | 0 | 0 | 0 | 113.1 | Y912 K913 | D910-Y912 VanDerWaalsContact C-N 3.35Å; D910-Y912 PolarHBondContact O-N 2.93Å; D910-K913 HydrophobicContact CB-CB 4.23Å; D910-K913 WeakPolarHBondContact O-CB 3.47Å; D910-K913 PolarHBondContact O-N 2.61Å; D910-K913 WeakPolarHBondContact OD2-CD 3.29Å; D910-K913 IonicContact OD2-NZ 3.93Å; D910-K913 PolarHBondContact OD2-NZ 3.34Å |
| 911 | H | 90.8 | Very high | 93.2 | Very high | 163 Ų | 163 | 70.1 Ų | 70.1 | 76% | 0.755 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | 55.3 | 45.1 | -176.3 | -59.1 | -81.3 | 0 | 0 | 0 | 113.5 | E909 K913 | E909-H911 VanDerWaalsContact C-N 3.29Å; E909-H911 PolarHBondContact O-N 2.97Å; H911-K913 VanDerWaalsContact C-N 3.28Å; H911-K913 PolarHBondContact O-N 2.94Å |
| 912 | Y | 93.2 | Very high | 92.9 | Very high | 53 Ų | 53 | 70.3 Ų | 70.3 | 21% | 0.208 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | 64.3 | 25.4 | 178.1 | -57.2 | -89.5 | 0 | 0 | 0 | 114.7 | L872 L907 E909 D910 K914 Y915 L916 F929 I932 | L872-Y912 HydrophobicContact CD1-CE1 4.06Å; L907-Y912 WeakPolarHBondContact O-CA 3.49Å; E909-Y912 PolarHBondContact O-N 3.14Å; D910-Y912 VanDerWaalsContact C-N 3.35Å; D910-Y912 PolarHBondContact O-N 2.93Å; Y912-K914 PolarHBondContact O-N 3.43Å; Y912-Y915 WeakPolarHBondContact O-CB 3.49Å; Y912-Y915 PolarHBondContact O-N 3.41Å; Y912-L916 WeakPolarHBondContact O-CG 3.5Å; Y912-L916 PolarHBondContact O-N 2.68Å; Y912-F929 HydrophobicContact CD1-CD1 4.47Å; Y912-F929 AromaticContact CE1-CD1 3.99Å; Y912-F929 HydrophobicContact CE1-CD1 3.99Å; Y912-F929 AromaticContact CE1-CE1 3.74Å; Y912-F929 HydrophobicContact CE1-CE1 3.74Å; Y912-F929 HydrophobicContact CE2-CE1 4.42Å; Y912-F929 AromaticContact CZ-CE1 3.65Å; Y912-F929 WeakPolarHBondContact OH-CE1 3.49Å; Y912-I932 HydrophobicContact CD1-CD1 3.85Å; Y912-I932 HydrophobicContact CD1-CG1 4.35Å; Y912-I932 HydrophobicContact CD2-CD1 3.96Å; Y912-I932 HydrophobicContact CD2-CG1 3.72Å; Y912-I932 HydrophobicContact CE2-CG1 4.14Å; Y912-I932 HydrophobicContact CG-CD1 3.53Å; Y912-I932 HydrophobicContact CG-CG1 3.84Å |
| 913 | K | 93.2 | Very high | 92.5 | Very high | 135 Ų | 135 | 71.6 Ų | 71.6 | 59% | 0.587 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -57.5 | -47.1 | -177 | -179.9 | 177.2 | -179.7 | 176.8 | 0 | 113.1 | E909 D910 H911 L916 A917 | E909-K913 PolarHBondContact O-N 2.65Å; D910-K913 HydrophobicContact CB-CB 4.23Å; D910-K913 WeakPolarHBondContact O-CB 3.47Å; D910-K913 PolarHBondContact O-N 2.61Å; D910-K913 WeakPolarHBondContact OD2-CD 3.29Å; D910-K913 IonicContact OD2-NZ 3.93Å; D910-K913 PolarHBondContact OD2-NZ 3.34Å; H911-K913 VanDerWaalsContact C-N 3.28Å; H911-K913 PolarHBondContact O-N 2.94Å; K913-L916 PolarHBondContact O-N 2.88Å; K913-A917 PolarHBondContact O-N 3.08Å; K913-A917 VanDerWaalsContact O-N 3.14Å |
| 914 | K | 94.3 | Very high | 92.3 | Very high | 102 Ų | 102 | 70.5 Ų | 70.5 | 44% | 0.443 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 177.4 | -77.7 | 178 | 175.3 | 173.5 | 0 | 111.5 | E906 L907 Y912 A917 K918 | E906-K914 HydrophobicContact CB-CD 3.95Å; E906-K914 IonicContact OE1-NZ 2.69Å; E906-K914 IonicContact OE2-NZ 3.67Å; E906-K914 PolarHBondContact OE2-NZ 3.38Å; L907-K914 HydrophobicContact CD2-CB 4.34Å; Y912-K914 PolarHBondContact O-N 3.43Å; K914-A917 PolarHBondContact O-N 3.28Å; K914-K918 WeakPolarHBondContact O-CB 3.5Å; K914-K918 PolarHBondContact O-N 2.97Å |
| 915 | Y | 95.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 72.2 Ų | 72.2 | 1% | 0.012 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.8 | -49.9 | 173.7 | 162.5 | -93.3 | 0 | 0 | 0 | 112.2 | F868 L907 Y912 A917 K918 L919 F929 I932 | F868-Y915 HydrophobicContact CB-CD2 4.26Å; F868-Y915 HydrophobicContact CB-CE2 3.61Å; F868-Y915 HydrophobicContact CD1-CD2 4.07Å; F868-Y915 HydrophobicContact CD1-CE2 4.07Å; F868-Y915 HydrophobicContact CD2-CE2 4.22Å; F868-Y915 HydrophobicContact CG-CD2 4.2Å; F868-Y915 AromaticContact CG-CE2 3.72Å; F868-Y915 HydrophobicContact CG-CE2 3.72Å; L907-Y915 WeakPolarHBondContact O-CB 3.41Å; Y912-Y915 WeakPolarHBondContact O-CB 3.49Å; Y912-Y915 PolarHBondContact O-N 3.41Å; Y915-A917 VanDerWaalsContact C-N 3.31Å; Y915-A917 PolarHBondContact O-N 3.49Å; Y915-K918 PolarHBondContact O-N 3.4Å; Y915-K918 VanDerWaalsContact O-N 3.09Å; Y915-L919 HydrophobicContact CE1-CD2 4.15Å; Y915-L919 WeakPolarHBondContact O-CB 3.24Å; Y915-L919 PolarHBondContact O-N 3.24Å; Y915-F929 HydrophobicContact CE2-CB 3.96Å; Y915-F929 PolarHBondContact OH-N 3.01Å; Y915-I932 HydrophobicContact CD1-CD1 3.2Å; Y915-I932 HydrophobicContact CE1-CD1 3.1Å; Y915-I932 HydrophobicContact CG-CD1 4.28Å |
| 916 | L | 93.4 | Very high | 92.4 | Very high | 40 Ų | 40 | 69.4 Ų | 69.4 | 21% | 0.209 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.2 | -39.2 | -178.3 | -73.1 | 173.4 | 0 | 0 | 0 | 111.9 | Y912 K913 R920 I932 | Y912-L916 WeakPolarHBondContact O-CG 3.5Å; Y912-L916 PolarHBondContact O-N 2.68Å; K913-L916 PolarHBondContact O-N 2.88Å; L916-R920 WeakPolarHBondContact O-CG 3.37Å; L916-R920 PolarHBondContact O-N 3.07Å; L916-I932 HydrophobicContact CD2-CD1 4.42Å; L916-I932 HydrophobicContact CD2-CG2 4.34Å |
| 917 | A | 93.6 | Very high | 92.6 | Very high | 62 Ų | 62 | 66.1 Ų | 66.1 | 51% | 0.512 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K913 K914 Y915 R920 S921 | K913-A917 PolarHBondContact O-N 3.08Å; K913-A917 VanDerWaalsContact O-N 3.14Å; K914-A917 PolarHBondContact O-N 3.28Å; Y915-A917 VanDerWaalsContact C-N 3.31Å; Y915-A917 PolarHBondContact O-N 3.49Å; A917-R920 PolarHBondContact O-N 3.47Å; A917-S921 WeakPolarHBondContact O-CB 3.28Å; A917-S921 PolarHBondContact O-N 3.34Å; A917-S921 PolarHBondContact O-OG 3.18Å |
| 918 | K | 94 | Very high | 92.8 | Very high | 63 Ų | 63 | 65.7 Ų | 65.7 | 27% | 0.274 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 178.8 | -169.1 | 168.3 | 178.4 | 178.9 | 0 | 111.5 | F868 L907 K914 Y915 R920 S921 I922 | F868-K918 HydrophobicContact CE1-CD 3.88Å; F868-K918 HydrophobicContact CE1-CG 3.96Å; F868-K918 HydrophobicContact CZ-CD 4.43Å; F868-K918 HydrophobicContact CZ-CG 4.06Å; L907-K918 HydrophobicContact CD2-CD 3.98Å; K914-K918 WeakPolarHBondContact O-CB 3.5Å; K914-K918 PolarHBondContact O-N 2.97Å; Y915-K918 PolarHBondContact O-N 3.4Å; Y915-K918 VanDerWaalsContact O-N 3.09Å; K918-R920 VanDerWaalsContact C-N 3.3Å; K918-R920 PolarHBondContact O-N 3.04Å; K918-S921 WeakPolarHBondContact CA-OG 3.42Å; K918-S921 PolarHBondContact O-N 2.79Å; K918-S921 PolarHBondContact O-OG 3.34Å; K918-I922 WeakPolarHBondContact O-CG2 3.5Å; K918-I922 PolarHBondContact O-N 2.98Å |
| 919 | L | 94.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.1 | -39.8 | 178 | 177.8 | 64.2 | 0 | 0 | 0 | 112.4 | F868 Y915 S921 I922 P928 Y974 | F868-L919 HydrophobicContact CD2-CD1 4.19Å; F868-L919 HydrophobicContact CE2-CD1 3.97Å; Y915-L919 HydrophobicContact CE1-CD2 4.15Å; Y915-L919 WeakPolarHBondContact O-CB 3.24Å; Y915-L919 PolarHBondContact O-N 3.24Å; L919-S921 VanDerWaalsContact C-N 3.28Å; L919-S921 PolarHBondContact O-N 3.12Å; L919-I922 HydrophobicContact CD1-CD1 4.24Å; L919-I922 VanDerWaalsContact O-CD1 3.27Å; L919-I922 WeakPolarHBondContact O-CD1 3.31Å; L919-I922 WeakPolarHBondContact O-CG1 3.33Å; L919-P928 HydrophobicContact CD1-CB 4.27Å; L919-P928 HydrophobicContact CD1-CG 4.04Å; L919-P928 HydrophobicContact CD2-CB 4.26Å; L919-Y974 HydrophobicContact CD1-CD1 4.46Å; L919-Y974 HydrophobicContact CD1-CE1 3.97Å; L919-Y974 HydrophobicContact CD1-CE2 4.21Å; L919-Y974 HydrophobicContact CD2-CE2 4.03Å; L919-Y974 HydrophobicContact CG-CE1 4.42Å; L919-Y974 HydrophobicContact CG-CE2 4.12Å; L919-Y974 PolarHBondContact O-OH 3.37Å |
| 920 | R | 91.5 | Very high | 93.4 | Very high | 163 Ų | 163 | 61 Ų | 61 | 62% | 0.615 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -74.2 | -17.7 | 177.4 | -69.8 | 175.4 | -174.5 | 139.1 | 2.9 | 113.7 | L916 A917 K918 | L916-R920 WeakPolarHBondContact O-CG 3.37Å; L916-R920 PolarHBondContact O-N 3.07Å; A917-R920 PolarHBondContact O-N 3.47Å; K918-R920 VanDerWaalsContact C-N 3.3Å; K918-R920 PolarHBondContact O-N 3.04Å |
| 921 | S | 92.2 | Very high | 93.6 | Very high | 90 Ų | 90 | 56.1 Ų | 56.1 | 63% | 0.629 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -94 | -15.9 | -179.1 | 72.6 | 0 | 0 | 0 | 0 | 114.5 | A917 K918 L919 | A917-S921 WeakPolarHBondContact O-CB 3.28Å; A917-S921 PolarHBondContact O-N 3.34Å; A917-S921 PolarHBondContact O-OG 3.18Å; K918-S921 WeakPolarHBondContact CA-OG 3.42Å; K918-S921 PolarHBondContact O-N 2.79Å; K918-S921 PolarHBondContact O-OG 3.34Å; L919-S921 VanDerWaalsContact C-N 3.28Å; L919-S921 PolarHBondContact O-N 3.12Å |
| 922 | I | 90.4 | Very high | 93.8 | Very high | 28 Ų | 28 | 49 Ų | 49 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -84.7 | 156.5 | -177.9 | 56.3 | 62.5 | 0 | 0 | 0 | 112 | F868 K918 L919 C926 Y974 | F868-I922 HydrophobicContact CE2-CG1 4.03Å; F868-I922 HydrophobicContact CZ-CG1 4.21Å; F868-I922 HydrophobicContact CZ-CG2 4.31Å; K918-I922 WeakPolarHBondContact O-CG2 3.5Å; K918-I922 PolarHBondContact O-N 2.98Å; L919-I922 HydrophobicContact CD1-CD1 4.24Å; L919-I922 VanDerWaalsContact O-CD1 3.27Å; L919-I922 WeakPolarHBondContact O-CD1 3.31Å; L919-I922 WeakPolarHBondContact O-CG1 3.33Å; I922-C926 HydrophobicContact CD1-CB 3.98Å; I922-Y974 HydrophobicContact CD1-CE1 4.22Å |
| 923 | N | 86.4 | Confident | 93.9 | Very high | 141 Ų | 141 | 46.6 Ų | 46.6 | 75% | 0.754 | 24% | 0.243 | S | C | * | . | P | Polyproline II helix | trans | -94.5 | 131.4 | 165.6 | -75.9 | -28.9 | 0 | 0 | 0 | 109.2 | ||
| 924 | P | 90.9 | Very high | 94 | Very high | 55 Ų | 55 | 40.7 Ų | 40.7 | 36% | 0.357 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -56.1 | 157.4 | 170.2 | -25.3 | 35.2 | 0 | 0 | 0 | 112.3 | Y974 Q977 | P924-Y974 HydrophobicContact CG-CD1 4.19Å; P924-Y974 HydrophobicContact CG-CE1 4.48Å; P924-Q977 HydrophobicContact CB-CB 3.78Å; P924-Q977 HydrophobicContact CB-CG 4.21Å |
| 925 | P | 94.9 | Very high | 94 | Very high | 35 Ų | 35 | 38.5 Ų | 38.5 | 23% | 0.227 | 21% | 0.212 | C | C | . | . | S | Bend | cis | -74.5 | 146.8 | 8.6 | 31.5 | -36 | 0 | 0 | 0 | 112.9 | Q977 Y979 | P925-Q977 HydrophobicContact CB-CG 4.22Å; P925-Y979 HydrophobicContact CB-CD1 3.99Å; P925-Y979 HydrophobicContact CB-CD2 3.9Å; P925-Y979 HydrophobicContact CB-CE1 4.01Å; P925-Y979 HydrophobicContact CB-CE2 3.93Å; P925-Y979 HydrophobicContact CB-CG 3.94Å; P925-Y979 HydrophobicContact CG-CD1 3.71Å; P925-Y979 HydrophobicContact CG-CE1 3.89Å; P925-Y979 HydrophobicContact CG-CG 4.05Å |
| 926 | C | 96.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.027 | 23% | 0.229 | C | C | . | . | trans | -149.9 | 158.1 | 175.1 | 63.7 | 0 | 0 | 0 | 0 | 109.6 | N866 F868 I922 P928 Y974 Y979 | N866-C926 HydrophobicContact CB-CB 3.64Å; N866-C926 WeakPolarHBondContact O-CA 3.35Å; N866-C926 WeakPolarHBondContact O-CB 3.29Å; F868-C926 HydrophobicContact CE2-CB 4.4Å; I922-C926 HydrophobicContact CD1-CB 3.98Å; C926-P928 WeakPolarHBondContact O-CD 3.27Å; C926-Y974 WeakPolarHBondContact SG-CD1 3.4Å; C926-Y979 WeakPolarHBondContact CA-OH 3.35Å | ||
| 927 | V | 97.9 | Very high | 94 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -113.8 | 99.1 | 168.6 | -172.5 | 0 | 0 | 0 | 0 | 108.4 | T789 E792 Y796 N866 N867 F868 N869 Y979 | T789-V927 HydrophobicContact CG2-CG2 4.36Å; E792-V927 HydrophobicContact CB-CG1 4.25Å; Y796-V927 HydrophobicContact CG-CG1 4.47Å; N866-V927 PolarHBondContact O-N 2.99Å; N867-V927 HydrophobicContact CB-CB 4.46Å; N867-V927 HydrophobicContact CB-CG2 4.49Å; N867-V927 WeakPolarHBondContact OD1-CB 3.35Å; F868-V927 WeakPolarHBondContact CA-O 3.38Å; F868-V927 WeakPolarHBondContact CB-O 3.41Å; F868-V927 PolarHBondContact N-O 2.95Å; N869-V927 HydrophobicContact CB-CB 4.48Å; N869-V927 HydrophobicContact CB-CG1 3.73Å; N869-V927 PolarHBondContact N-O 3.46Å; V927-Y979 HydrophobicContact CG2-CE2 3.71Å; V927-Y979 PolarHBondContact N-OH 3.43Å |
| 928 | P | 97.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | trans | -64.4 | 151 | 178 | -24.5 | 36.2 | 0 | 0 | 0 | 112.9 | Y796 L919 C926 F930 Y933 Y974 | Y796-P928 HydrophobicContact CE1-CG 4.28Å; Y796-P928 HydrophobicContact CE2-CB 4.06Å; Y796-P928 HydrophobicContact CE2-CG 4.09Å; L919-P928 HydrophobicContact CD1-CB 4.27Å; L919-P928 HydrophobicContact CD1-CG 4.04Å; L919-P928 HydrophobicContact CD2-CB 4.26Å; C926-P928 WeakPolarHBondContact O-CD 3.27Å; P928-F930 PolarHBondContact O-N 3.01Å; P928-Y933 HydrophobicContact CB-CE2 4Å; P928-Y974 HydrophobicContact CG-CD2 3.97Å; P928-Y974 HydrophobicContact CG-CG 3.84Å | ||
| 929 | F | 95.7 | Very high | 94.1 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 12% | 0.118 | 22% | 0.222 | C | C | . | . | trans | -72.2 | 115.9 | 169.3 | 177.2 | -119.8 | 0 | 0 | 0 | 111.3 | L872 Y912 Y915 G931 I932 | L872-F929 HydrophobicContact CB-CD2 4.25Å; L872-F929 HydrophobicContact CB-CE2 4.48Å; L872-F929 HydrophobicContact CD1-CB 3.63Å; L872-F929 HydrophobicContact CD1-CD1 3.62Å; L872-F929 HydrophobicContact CD1-CD2 3.55Å; L872-F929 HydrophobicContact CD1-CE1 4.12Å; L872-F929 HydrophobicContact CD1-CE2 4.05Å; L872-F929 HydrophobicContact CD1-CG 3.3Å; L872-F929 HydrophobicContact CD1-CZ 4.31Å; Y912-F929 HydrophobicContact CD1-CD1 4.47Å; Y912-F929 AromaticContact CE1-CD1 3.99Å; Y912-F929 HydrophobicContact CE1-CD1 3.99Å; Y912-F929 AromaticContact CE1-CE1 3.74Å; Y912-F929 HydrophobicContact CE1-CE1 3.74Å; Y912-F929 HydrophobicContact CE2-CE1 4.42Å; Y912-F929 AromaticContact CZ-CE1 3.65Å; Y912-F929 WeakPolarHBondContact OH-CE1 3.49Å; Y915-F929 HydrophobicContact CE2-CB 3.96Å; Y915-F929 PolarHBondContact OH-N 3.01Å; F929-G931 VanDerWaalsContact C-N 3.35Å; F929-G931 PolarHBondContact O-N 3.23Å; F929-I932 HydrophobicContact CD1-CD1 3.92Å; F929-I932 HydrophobicContact CD1-CG1 3.94Å; F929-I932 HydrophobicContact CE1-CG1 4.25Å | ||
| 930 | F | 96.1 | Very high | 94.1 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -23.4 | -171.3 | -147.5 | -81.6 | 0 | 0 | 0 | 114 | Y796 V799 L804 L821 M824 P928 I932 Y933 L934 I971 | Y796-F930 AromaticContact CD2-CD2 3.68Å; Y796-F930 HydrophobicContact CD2-CD2 3.68Å; Y796-F930 HydrophobicContact CD2-CE2 4.13Å; Y796-F930 AromaticContact CE2-CD2 3.63Å; Y796-F930 HydrophobicContact CE2-CD2 3.63Å; Y796-F930 AromaticContact CE2-CE2 3.96Å; Y796-F930 HydrophobicContact CE2-CE2 3.96Å; V799-F930 HydrophobicContact CB-CE2 4.18Å; V799-F930 HydrophobicContact CB-CZ 4.31Å; V799-F930 HydrophobicContact CG1-CE2 4.09Å; V799-F930 HydrophobicContact CG1-CZ 3.7Å; V799-F930 HydrophobicContact CG2-CE2 4.19Å; V799-F930 HydrophobicContact CG2-CZ 4.49Å; L804-F930 HydrophobicContact CD1-CE1 4.44Å; L804-F930 HydrophobicContact CD1-CZ 3.99Å; L804-F930 HydrophobicContact CD2-CE1 3.68Å; L804-F930 HydrophobicContact CD2-CZ 3.85Å; L821-F930 HydrophobicContact CD1-CD1 3.7Å; L821-F930 HydrophobicContact CD1-CE1 3.44Å; L821-F930 VanDerWaalsContact CD1-CE1 3.44Å; L821-F930 HydrophobicContact CD1-CG 4.46Å; L821-F930 HydrophobicContact CD1-CZ 3.99Å; M824-F930 HydrophobicContact CE-CB 3.34Å; M824-F930 HydrophobicContact CE-CD1 3.85Å; M824-F930 HydrophobicContact CE-CD2 3.62Å; M824-F930 HydrophobicContact CE-CE2 4.37Å; M824-F930 HydrophobicContact CE-CG 3.33Å; M824-F930 HydrophobicContact SD-CB 4.16Å; M824-F930 HydrophobicContact SD-CD2 3.74Å; M824-F930 HydrophobicContact SD-CE2 4.41Å; M824-F930 HydrophobicContact SD-CG 4.08Å; P928-F930 PolarHBondContact O-N 3.01Å; F930-I932 VanDerWaalsContact C-N 3.26Å; F930-I932 PolarHBondContact O-N 3.36Å; F930-Y933 PolarHBondContact O-N 2.87Å; F930-Y933 VanDerWaalsContact O-N 3.08Å; F930-L934 HydrophobicContact CD1-CD1 3.89Å; F930-L934 HydrophobicContact CD1-CD2 4.05Å; F930-L934 HydrophobicContact CD1-CG 3.67Å; F930-L934 HydrophobicContact CE1-CD1 4.46Å; F930-L934 HydrophobicContact CE1-CD2 3.8Å; F930-L934 HydrophobicContact CE1-CG 3.93Å; F930-L934 PolarHBondContact O-N 2.89Å; F930-I971 HydrophobicContact CE1-CD1 4.49Å; F930-I971 HydrophobicContact CE2-CD1 4.34Å; F930-I971 HydrophobicContact CE2-CG2 4.11Å; F930-I971 HydrophobicContact CZ-CD1 3.92Å |
| 931 | G | 93.1 | Very high | 94.1 | Very high | 6 Ų | 6 | 36.5 Ų | 36.5 | 6% | 0.062 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60 | -31.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | F929 T935 | F929-G931 VanDerWaalsContact C-N 3.35Å; F929-G931 PolarHBondContact O-N 3.23Å; G931-T935 WeakPolarHBondContact O-CB 3.21Å; G931-T935 PolarHBondContact O-N 3.18Å; G931-T935 PolarHBondContact O-OG1 2.87Å |
| 932 | I | 94.3 | Very high | 94.1 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 6% | 0.062 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.2 | -41.7 | 176.8 | -68.8 | 157.7 | 0 | 0 | 0 | 111 | Y912 Y915 L916 F929 F930 T935 N936 | Y912-I932 HydrophobicContact CD1-CD1 3.85Å; Y912-I932 HydrophobicContact CD1-CG1 4.35Å; Y912-I932 HydrophobicContact CD2-CD1 3.96Å; Y912-I932 HydrophobicContact CD2-CG1 3.72Å; Y912-I932 HydrophobicContact CE2-CG1 4.14Å; Y912-I932 HydrophobicContact CG-CD1 3.53Å; Y912-I932 HydrophobicContact CG-CG1 3.84Å; Y915-I932 HydrophobicContact CD1-CD1 3.2Å; Y915-I932 HydrophobicContact CE1-CD1 3.1Å; Y915-I932 HydrophobicContact CG-CD1 4.28Å; L916-I932 HydrophobicContact CD2-CD1 4.42Å; L916-I932 HydrophobicContact CD2-CG2 4.34Å; F929-I932 HydrophobicContact CD1-CD1 3.92Å; F929-I932 HydrophobicContact CD1-CG1 3.94Å; F929-I932 HydrophobicContact CE1-CG1 4.25Å; F930-I932 VanDerWaalsContact C-N 3.26Å; F930-I932 PolarHBondContact O-N 3.36Å; I932-T935 PolarHBondContact O-N 3.5Å; I932-N936 WeakPolarHBondContact O-CB 3.46Å; I932-N936 VanDerWaalsContact O-CG 3.3Å; I932-N936 PolarHBondContact O-N 3.49Å |
| 933 | Y | 95.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.4 | -46 | 178.3 | -60.1 | -53.6 | 0 | 0 | 0 | 111.1 | P928 F930 T935 N936 I937 I967 E970 I971 | P928-Y933 HydrophobicContact CB-CE2 4Å; F930-Y933 PolarHBondContact O-N 2.87Å; F930-Y933 VanDerWaalsContact O-N 3.08Å; Y933-T935 VanDerWaalsContact C-N 3.3Å; Y933-T935 PolarHBondContact O-N 2.94Å; Y933-N936 PolarHBondContact O-N 2.87Å; Y933-I937 WeakPolarHBondContact O-CB 3.24Å; Y933-I937 WeakPolarHBondContact O-CG1 3.38Å; Y933-I937 PolarHBondContact O-N 2.87Å; Y933-I967 HydrophobicContact CD1-CG2 3.82Å; Y933-I967 HydrophobicContact CG-CG2 4.45Å; Y933-E970 HydrophobicContact CE1-CB 4.47Å; Y933-E970 HydrophobicContact CE1-CG 4.1Å; Y933-I971 HydrophobicContact CD1-CD1 4.38Å; Y933-I971 HydrophobicContact CD1-CG1 3.96Å; Y933-I971 HydrophobicContact CD2-CD1 3.96Å; Y933-I971 HydrophobicContact CD2-CG1 3.58Å; Y933-I971 HydrophobicContact CE1-CG1 4.16Å; Y933-I971 HydrophobicContact CE2-CG1 3.78Å; Y933-I971 HydrophobicContact CG-CD1 3.81Å; Y933-I971 HydrophobicContact CG-CG1 3.67Å |
| 934 | L | 95.6 | Very high | 94.6 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 5% | 0.052 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.3 | -43 | 176.5 | -64.4 | 170 | 0 | 0 | 0 | 111.8 | L804 W809 L821 I825 F930 I937 L938 F1226 | L804-L934 HydrophobicContact CD2-CD2 3.93Å; W809-L934 HydrophobicContact CD2-CD2 3.9Å; W809-L934 HydrophobicContact CE3-CD2 4.11Å; W809-L934 HydrophobicContact CH2-CD2 4.03Å; W809-L934 HydrophobicContact CZ2-CB 4.17Å; W809-L934 HydrophobicContact CZ2-CD2 3.82Å; W809-L934 HydrophobicContact CZ3-CD2 4.1Å; L821-L934 HydrophobicContact CD1-CD1 4.35Å; L821-L934 HydrophobicContact CD1-CD2 4.17Å; L821-L934 HydrophobicContact CD2-CD2 3.89Å; I825-L934 HydrophobicContact CD1-CD1 4.18Å; F930-L934 HydrophobicContact CD1-CD1 3.89Å; F930-L934 HydrophobicContact CD1-CD2 4.05Å; F930-L934 HydrophobicContact CD1-CG 3.67Å; F930-L934 HydrophobicContact CE1-CD1 4.46Å; F930-L934 HydrophobicContact CE1-CD2 3.8Å; F930-L934 HydrophobicContact CE1-CG 3.93Å; F930-L934 PolarHBondContact O-N 2.89Å; L934-I937 PolarHBondContact O-N 3.44Å; L934-L938 VanDerWaalsContact O-CB 3.26Å; L934-L938 WeakPolarHBondContact O-CB 3.48Å; L934-L938 PolarHBondContact O-N 2.87Å; L934-F1226 HydrophobicContact CD1-CE1 4.34Å; L934-F1226 HydrophobicContact CD1-CZ 3.67Å |
| 935 | T | 93.6 | Very high | 94.8 | Very high | 56 Ų | 56 | 36.7 Ų | 36.7 | 34% | 0.344 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 177.8 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | G931 I932 Y933 K939 | G931-T935 WeakPolarHBondContact O-CB 3.21Å; G931-T935 PolarHBondContact O-N 3.18Å; G931-T935 PolarHBondContact O-OG1 2.87Å; I932-T935 PolarHBondContact O-N 3.5Å; Y933-T935 VanDerWaalsContact C-N 3.3Å; Y933-T935 PolarHBondContact O-N 2.94Å; T935-K939 HydrophobicContact CG2-CD 4.16Å; T935-K939 WeakPolarHBondContact O-CB 3.28Å; T935-K939 VanDerWaalsContact O-CG 3.29Å; T935-K939 WeakPolarHBondContact O-CG 3.43Å; T935-K939 PolarHBondContact O-N 3.46Å |
| 936 | N | 95 | Very high | 94.7 | Very high | 66 Ų | 66 | 40.2 Ų | 40.2 | 35% | 0.353 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.4 | -38.4 | -179.1 | -71.3 | -14.4 | 0 | 0 | 0 | 112 | I932 Y933 T940 I967 | I932-N936 WeakPolarHBondContact O-CB 3.46Å; I932-N936 VanDerWaalsContact O-CG 3.3Å; I932-N936 PolarHBondContact O-N 3.49Å; Y933-N936 PolarHBondContact O-N 2.87Å; N936-T940 VanDerWaalsContact O-CB 3.28Å; N936-T940 WeakPolarHBondContact O-CB 3.09Å; N936-T940 PolarHBondContact O-N 2.93Å; N936-T940 PolarHBondContact O-OG1 3.06Å; N936-I967 HydrophobicContact CB-CD1 3.95Å |
| 937 | I | 95.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.4 | -49.5 | 175.1 | -66.9 | 165.6 | 0 | 0 | 0 | 109.4 | L804 W809 Y933 L934 K939 T940 E941 V964 I967 T968 | L804-I937 HydrophobicContact CB-CD1 4.06Å; L804-I937 HydrophobicContact CD1-CD1 4.19Å; W809-I937 HydrophobicContact CH2-CB 3.95Å; W809-I937 HydrophobicContact CH2-CG2 3.6Å; W809-I937 HydrophobicContact CZ3-CB 4.48Å; W809-I937 HydrophobicContact CZ3-CG2 3.84Å; Y933-I937 WeakPolarHBondContact O-CB 3.24Å; Y933-I937 WeakPolarHBondContact O-CG1 3.38Å; Y933-I937 PolarHBondContact O-N 2.87Å; L934-I937 PolarHBondContact O-N 3.44Å; I937-K939 PolarHBondContact O-N 3.21Å; I937-T940 WeakPolarHBondContact O-CB 3.22Å; I937-T940 PolarHBondContact O-N 2.88Å; I937-T940 VanDerWaalsContact O-N 3.09Å; I937-E941 HydrophobicContact CG2-CG 4.19Å; I937-E941 VanDerWaalsContact O-CG 3.31Å; I937-E941 WeakPolarHBondContact O-CG 3.42Å; I937-E941 PolarHBondContact O-N 3.01Å; I937-V964 HydrophobicContact CG2-CG1 4.19Å; I937-I967 HydrophobicContact CD1-CG2 4.03Å; I937-I967 HydrophobicContact CG1-CB 4.13Å; I937-I967 HydrophobicContact CG1-CD1 3.92Å; I937-I967 HydrophobicContact CG1-CG2 3.8Å; I937-T968 HydrophobicContact CD1-CG2 4.49Å |
| 938 | L | 94.3 | Very high | 94.5 | Very high | 54 Ų | 54 | 43.5 Ų | 43.5 | 28% | 0.283 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57 | -49.4 | 178.4 | -174.5 | 65.4 | 0 | 0 | 0 | 111.7 | W809 T810 L934 T940 E941 E942 | W809-L938 HydrophobicContact CZ2-CB 4.34Å; T810-L938 HydrophobicContact CG2-CD1 4.49Å; L934-L938 VanDerWaalsContact O-CB 3.26Å; L934-L938 WeakPolarHBondContact O-CB 3.48Å; L934-L938 PolarHBondContact O-N 2.87Å; L938-T940 VanDerWaalsContact C-N 3.29Å; L938-T940 PolarHBondContact O-N 2.88Å; L938-E941 PolarHBondContact O-N 3.05Å; L938-E941 VanDerWaalsContact O-N 3.16Å; L938-E942 HydrophobicContact CD1-CG 4.2Å; L938-E942 WeakPolarHBondContact CD1-OE1 3.48Å; L938-E942 HydrophobicContact CG-CG 4.49Å; L938-E942 WeakPolarHBondContact O-CB 3.46Å; L938-E942 WeakPolarHBondContact O-CG 3.28Å; L938-E942 PolarHBondContact O-N 3.4Å |
| 939 | K | 94.2 | Very high | 94.4 | Very high | 131 Ų | 131 | 50 Ų | 50 | 57% | 0.57 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.9 | -38.8 | 176.1 | -75.2 | 175.7 | -179.8 | 175.4 | 0 | 112.6 | T935 I937 G943 | T935-K939 HydrophobicContact CG2-CD 4.16Å; T935-K939 WeakPolarHBondContact O-CB 3.28Å; T935-K939 VanDerWaalsContact O-CG 3.29Å; T935-K939 WeakPolarHBondContact O-CG 3.43Å; T935-K939 PolarHBondContact O-N 3.46Å; I937-K939 PolarHBondContact O-N 3.21Å; K939-G943 WeakPolarHBondContact O-CA 3.4Å; K939-G943 PolarHBondContact O-N 2.85Å |
| 940 | T | 95 | Very high | 94.2 | Very high | 24 Ų | 24 | 53.3 Ų | 53.3 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.1 | -40.1 | 177.7 | -61.7 | 0 | 0 | 0 | 0 | 110.9 | N936 I937 L938 N944 K963 V964 | N936-T940 VanDerWaalsContact O-CB 3.28Å; N936-T940 WeakPolarHBondContact O-CB 3.09Å; N936-T940 PolarHBondContact O-N 2.93Å; N936-T940 PolarHBondContact O-OG1 3.06Å; I937-T940 WeakPolarHBondContact O-CB 3.22Å; I937-T940 PolarHBondContact O-N 2.88Å; I937-T940 VanDerWaalsContact O-N 3.09Å; L938-T940 VanDerWaalsContact C-N 3.29Å; L938-T940 PolarHBondContact O-N 2.88Å; T940-N944 WeakPolarHBondContact O-CB 3.37Å; T940-N944 PolarHBondContact O-N 3.05Å; T940-N944 PolarHBondContact O-ND2 3.41Å; T940-K963 HydrophobicContact CG2-CB 3.58Å; T940-K963 HydrophobicContact CG2-CD 4.18Å; T940-V964 HydrophobicContact CG2-CG2 3.86Å |
| 941 | E | 91.7 | Very high | 94 | Very high | 15 Ų | 15 | 58.5 Ų | 58.5 | 7% | 0.07 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72.1 | -42.1 | -179.3 | -68.1 | -137.7 | 153.8 | 0 | 0 | 113.3 | G806 S807 I937 L938 N944 K960 V964 | G806-E941 VanDerWaalsContact CA-OE1 3.26Å; G806-E941 WeakPolarHBondContact CA-OE1 3.38Å; G806-E941 WeakPolarHBondContact CA-OE2 3.32Å; G806-E941 PolarHBondContact N-OE1 2.94Å; G806-E941 PolarHBondContact N-OE2 3.4Å; S807-E941 PolarHBondContact N-OE2 3.42Å; S807-E941 PolarHBondContact OG-OE2 2.76Å; I937-E941 HydrophobicContact CG2-CG 4.19Å; I937-E941 VanDerWaalsContact O-CG 3.31Å; I937-E941 WeakPolarHBondContact O-CG 3.42Å; I937-E941 PolarHBondContact O-N 3.01Å; L938-E941 PolarHBondContact O-N 3.05Å; L938-E941 VanDerWaalsContact O-N 3.16Å; E941-N944 VanDerWaalsContact O-O 3.13Å; E941-K960 PolarHBondContact O-NZ 3.42Å; E941-V964 HydrophobicContact CG-CG2 3.98Å |
| 942 | E | 92 | Very high | 93.9 | Very high | 148 Ų | 148 | 62 Ų | 62 | 69% | 0.692 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -76.1 | -36.2 | 178.2 | -67 | 179.8 | 168.7 | 0 | 0 | 112 | L938 N944 | L938-E942 HydrophobicContact CD1-CG 4.2Å; L938-E942 WeakPolarHBondContact CD1-OE1 3.48Å; L938-E942 HydrophobicContact CG-CG 4.49Å; L938-E942 WeakPolarHBondContact O-CB 3.46Å; L938-E942 WeakPolarHBondContact O-CG 3.28Å; L938-E942 PolarHBondContact O-N 3.4Å; E942-N944 VanDerWaalsContact C-N 3.33Å; E942-N944 PolarHBondContact O-N 3.12Å |
| 943 | G | 93.6 | Very high | 93.8 | Very high | 61 Ų | 61 | 66.7 Ų | 66.7 | 63% | 0.629 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -78.7 | -10.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | K939 | K939-G943 WeakPolarHBondContact O-CA 3.4Å; K939-G943 PolarHBondContact O-N 2.85Å |
| 944 | N | 94.5 | Very high | 93.8 | Very high | 33 Ų | 33 | 71.9 Ų | 71.9 | 18% | 0.176 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -123.8 | 130.7 | 178.5 | -60.5 | -94.6 | 0 | 0 | 0 | 110 | T940 E941 E942 K960 K963 | T940-N944 WeakPolarHBondContact O-CB 3.37Å; T940-N944 PolarHBondContact O-N 3.05Å; T940-N944 PolarHBondContact O-ND2 3.41Å; E941-N944 VanDerWaalsContact O-O 3.13Å; E942-N944 VanDerWaalsContact C-N 3.33Å; E942-N944 PolarHBondContact O-N 3.12Å; N944-K960 HydrophobicContact CB-CB 3.96Å; N944-K960 HydrophobicContact CB-CD 4.15Å; N944-K960 HydrophobicContact CB-CG 4.16Å; N944-K960 WeakPolarHBondContact O-CD 3.46Å; N944-K963 PolarHBondContact OD1-NZ 3.42Å |
| 945 | P | 95 | Very high | 93.9 | Very high | 76 Ų | 76 | 71.4 Ų | 71.4 | 49% | 0.494 | 38% | 0.382 | S | S | . | . | trans | -63.8 | 147.5 | -179.5 | 28.2 | -35.9 | 0 | 0 | 0 | 111 | V947 L948 N957 | P945-V947 VanDerWaalsContact C-N 3.33Å; P945-L948 HydrophobicContact CG-CD2 3.74Å; P945-N957 WeakPolarHBondContact O-CB 3.46Å; P945-N957 PolarHBondContact O-ND2 2.97Å | ||
| 946 | E | 92.4 | Very high | 94.1 | Very high | 109 Ų | 109 | 69.7 Ų | 69.7 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -69.1 | -33.7 | 178.9 | -65.3 | -165.6 | 159.6 | 0 | 0 | 113.1 | N957 R961 | E946-N957 VanDerWaalsContact O-CB 3.3Å; E946-N957 WeakPolarHBondContact O-CB 3.4Å; E946-N957 PolarHBondContact O-N 3.02Å; E946-R961 PolarHBondContact O-NH1 3.22Å |
| 947 | V | 95.8 | Very high | 94.2 | Very high | 52 Ų | 52 | 66.7 Ų | 66.7 | 32% | 0.315 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 149.3 | 179.2 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | P945 E954 L955 | P945-V947 VanDerWaalsContact C-N 3.33Å; V947-E954 HydrophobicContact CB-CB 4.27Å; V947-E954 HydrophobicContact CG2-CB 4.3Å; V947-E954 HydrophobicContact CG2-CG 4.46Å; V947-L955 CarbonylContact C-O 3.59Å; V947-L955 WeakPolarHBondContact CA-O 3.26Å; V947-L955 WeakPolarHBondContact CB-O 3.41Å |
| 948 | L | 95.1 | Very high | 94.2 | Very high | 24 Ų | 24 | 66.9 Ų | 66.9 | 13% | 0.126 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 129.1 | 171.3 | -59.8 | -176 | 0 | 0 | 0 | 109.1 | K602 A603 P945 L955 N957 | K602-L948 HydrophobicContact CG-CD1 4.31Å; A603-L948 HydrophobicContact CB-CB 4.4Å; A603-L948 HydrophobicContact CB-CD1 3.82Å; A603-L948 HydrophobicContact CB-CG 4.25Å; P945-L948 HydrophobicContact CG-CD2 3.74Å; L948-L955 PolarHBondContact N-O 3.39Å; L948-L955 PolarHBondContact O-N 2.94Å; L948-N957 HydrophobicContact CG-CB 4.14Å |
| 949 | K | 95 | Very high | 94.2 | Very high | 138 Ų | 138 | 64.8 Ų | 64.8 | 60% | 0.6 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.8 | 175.2 | -64.7 | -171.6 | 178.7 | -155 | 0 | 110.3 | K953 E954 | K949-K953 WeakPolarHBondContact CA-O 3.24Å; K949-E954 WeakPolarHBondContact CE-OE1 3.47Å; K949-E954 HydrophobicContact CG-CG 4.28Å; K949-E954 IonicContact NZ-OE1 3.93Å; K949-E954 PolarHBondContact NZ-OE1 2.82Å |
| 950 | R | 91.6 | Very high | 94.3 | Very high | 96 Ų | 96 | 58.9 Ų | 58.9 | 36% | 0.362 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 130.4 | 172.6 | -70.2 | -59.5 | 179.4 | -93.8 | 5.8 | 109.1 | E583 I587 G952 K953 L955 | E583-R950 WeakPolarHBondContact O-CB 3.41Å; I587-R950 HydrophobicContact CD1-CG 3.46Å; I587-R950 VanDerWaalsContact CD1-CG 3.46Å; I587-R950 HydrophobicContact CG1-CG 4.35Å; R950-G952 PolarHBondContact O-N 3.2Å; R950-K953 PolarHBondContact N-O 3.17Å; R950-K953 PolarHBondContact O-N 3.35Å; R950-L955 HydrophobicContact CB-CD1 4.35Å; R950-L955 HydrophobicContact CG-CD1 4.41Å |
| 951 | H | 91.8 | Very high | 94.3 | Very high | 113 Ų | 113 | 58 Ų | 58 | 52% | 0.523 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 35.6 | 178.4 | -55.8 | -62.9 | 0 | 0 | 0 | 113.7 | E583 E584 K953 | E583-H951 IonicContact OE2-CD2 3.43Å; E583-H951 IonicContact OE2-CE1 2.61Å; E583-H951 IonicContact OE2-NE2 3.22Å; E583-H951 PolarHBondContact OE2-NE2 3.22Å; E584-H951 HydrophobicContact CG-CB 3.77Å; H951-K953 VanDerWaalsContact C-N 3.27Å; H951-K953 PolarHBondContact O-N 3.14Å |
| 952 | G | 90.4 | Very high | 94.4 | Very high | 80 Ų | 80 | 59.1 Ų | 59.1 | 83% | 0.825 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | -3.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | R950 | R950-G952 PolarHBondContact O-N 3.2Š|
| 953 | K | 93.2 | Very high | 94.5 | Very high | 110 Ų | 110 | 56.1 Ų | 56.1 | 48% | 0.478 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 148.9 | 174.2 | -53.3 | -60.5 | -176.7 | 169.1 | 0 | 111.6 | E584 K949 R950 H951 | E584-K953 HydrophobicContact CB-CG 4.05Å; E584-K953 WeakPolarHBondContact O-CB 3.47Å; K949-K953 WeakPolarHBondContact CA-O 3.24Å; R950-K953 PolarHBondContact N-O 3.17Å; R950-K953 PolarHBondContact O-N 3.35Å; H951-K953 VanDerWaalsContact C-N 3.27Å; H951-K953 PolarHBondContact O-N 3.14Å |
| 954 | E | 95.2 | Very high | 94.6 | Very high | 114 Ų | 114 | 53.2 Ų | 53.2 | 53% | 0.533 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 116.8 | 174.3 | -63.6 | -169 | 161.7 | 0 | 0 | 109.7 | V947 K949 | V947-E954 HydrophobicContact CB-CB 4.27Å; V947-E954 HydrophobicContact CG2-CB 4.3Å; V947-E954 HydrophobicContact CG2-CG 4.46Å; K949-E954 WeakPolarHBondContact CE-OE1 3.47Å; K949-E954 HydrophobicContact CG-CG 4.28Å; K949-E954 IonicContact NZ-OE1 3.93Å; K949-E954 PolarHBondContact NZ-OE1 2.82Å |
| 955 | L | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 133.1 | -179 | -61.4 | -176.1 | 0 | 0 | 0 | 110.5 | E584 I587 A603 T605 V947 L948 R950 N957 | E584-L955 WeakPolarHBondContact O-CD2 3.31Å; I587-L955 HydrophobicContact CD1-CD1 3.91Å; I587-L955 HydrophobicContact CG1-CD1 3.78Å; A603-L955 HydrophobicContact CB-CB 3.92Å; T605-L955 HydrophobicContact CG2-CD2 3.71Å; V947-L955 CarbonylContact C-O 3.59Å; V947-L955 WeakPolarHBondContact CA-O 3.26Å; V947-L955 WeakPolarHBondContact CB-O 3.41Å; L948-L955 PolarHBondContact N-O 3.39Å; L948-L955 PolarHBondContact O-N 2.94Å; R950-L955 HydrophobicContact CB-CD1 4.35Å; R950-L955 HydrophobicContact CG-CD1 4.41Å; L955-N957 PolarHBondContact O-N 3.44Å |
| 956 | I | 97.7 | Very high | 94.5 | Very high | 19 Ų | 19 | 54.5 Ų | 54.5 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 122 | 179.5 | -66.6 | 156.6 | 0 | 0 | 0 | 108.9 | A603 G604 V606 L609 F634 F958 | A603-I956 WeakPolarHBondContact CA-O 3.31Å; A603-I956 WeakPolarHBondContact CB-O 3.31Å; G604-I956 PolarHBondContact N-O 3.18Å; G604-I956 WeakPolarHBondContact O-CB 3.33Å; G604-I956 PolarHBondContact O-N 3.41Å; V606-I956 HydrophobicContact CB-CD1 4.37Å; V606-I956 HydrophobicContact CG2-CD1 3.31Å; L609-I956 HydrophobicContact CD1-CB 4.15Å; L609-I956 HydrophobicContact CD1-CD1 4.13Å; L609-I956 HydrophobicContact CD1-CG2 4.17Å; F634-I956 HydrophobicContact CB-CD1 3.98Å; F634-I956 HydrophobicContact CB-CG1 4.16Å; F634-I956 HydrophobicContact CB-CG2 4.11Å; F634-I956 HydrophobicContact CD1-CG2 3.7Å; F634-I956 HydrophobicContact CD2-CD1 3.57Å; F634-I956 HydrophobicContact CD2-CG1 4.5Å; F634-I956 HydrophobicContact CD2-CG2 4.31Å; F634-I956 HydrophobicContact CE1-CG2 4.13Å; F634-I956 HydrophobicContact CE2-CD1 4.25Å; F634-I956 HydrophobicContact CG-CD1 3.91Å; F634-I956 HydrophobicContact CG-CG1 4.37Å; F634-I956 HydrophobicContact CG-CG2 3.79Å; I956-F958 PolarHBondContact O-N 2.85Å |
| 957 | N | 96.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 93.6 | 178.1 | -174.8 | 5.9 | 0 | 0 | 0 | 110 | P945 E946 L948 L955 S959 K960 R961 | P945-N957 WeakPolarHBondContact O-CB 3.46Å; P945-N957 PolarHBondContact O-ND2 2.97Å; E946-N957 VanDerWaalsContact O-CB 3.3Å; E946-N957 WeakPolarHBondContact O-CB 3.4Å; E946-N957 PolarHBondContact O-N 3.02Å; L948-N957 HydrophobicContact CG-CB 4.14Å; L955-N957 PolarHBondContact O-N 3.44Å; N957-S959 PolarHBondContact OD1-N 3.2Å; N957-S959 PolarHBondContact OD1-OG 2.8Å; N957-K960 PolarHBondContact OD1-N 3.43Å; N957-R961 VanDerWaalsContact O-CD 3.24Å; N957-R961 WeakPolarHBondContact O-CD 3.29Å; N957-R961 PolarHBondContact O-NH1 3.01Å |
| 958 | F | 96.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -77 | -24.7 | -179.5 | -159.5 | -99.2 | 0 | 0 | 0 | 112.2 | K602 L609 F623 T626 F627 F634 I956 K960 R961 R962 | K602-F958 PolarHBondContact O-N 3.38Å; L609-F958 HydrophobicContact CD1-CD2 4.16Å; L609-F958 HydrophobicContact CD2-CB 4.27Å; L609-F958 HydrophobicContact CD2-CD2 4.09Å; L609-F958 HydrophobicContact CD2-CG 4.21Å; F623-F958 HydrophobicContact CD2-CD1 4.29Å; F623-F958 AromaticContact CD2-CE1 3.48Å; F623-F958 HydrophobicContact CD2-CE1 3.48Å; F623-F958 VanDerWaalsContact CD2-CE1 3.48Å; F623-F958 AromaticContact CD2-CZ 3.83Å; F623-F958 HydrophobicContact CD2-CZ 3.83Å; F623-F958 AromaticContact CE2-CD1 3.69Å; F623-F958 HydrophobicContact CE2-CD1 3.69Å; F623-F958 AromaticContact CE2-CE1 3.17Å; F623-F958 HydrophobicContact CE2-CE1 3.17Å; F623-F958 HydrophobicContact CE2-CE2 4.1Å; F623-F958 HydrophobicContact CE2-CG 4.34Å; F623-F958 AromaticContact CE2-CZ 3.4Å; F623-F958 HydrophobicContact CE2-CZ 3.4Å; F623-F958 HydrophobicContact CZ-CE1 4.17Å; F623-F958 HydrophobicContact CZ-CE2 4.35Å; F623-F958 AromaticContact CZ-CZ 3.98Å; F623-F958 HydrophobicContact CZ-CZ 3.98Å; T626-F958 HydrophobicContact CG2-CE1 3.77Å; T626-F958 HydrophobicContact CG2-CZ 3.67Å; F627-F958 HydrophobicContact CB-CZ 4.3Å; F627-F958 HydrophobicContact CD2-CE2 4.07Å; F634-F958 HydrophobicContact CE1-CD2 4.48Å; F634-F958 HydrophobicContact CZ-CE2 4.42Å; I956-F958 PolarHBondContact O-N 2.85Å; F958-K960 VanDerWaalsContact C-N 3.25Å; F958-K960 PolarHBondContact O-N 2.92Å; F958-R961 HydrophobicContact CD2-CB 4.33Å; F958-R961 HydrophobicContact CE2-CB 4.47Å; F958-R961 WeakPolarHBondContact O-CB 3.46Å; F958-R961 PolarHBondContact O-N 2.6Å; F958-R962 PolarHBondContact O-N 3.04Å |
| 959 | S | 94.6 | Very high | 94.3 | Very high | 11 Ų | 11 | 48.3 Ų | 48.3 | 8% | 0.077 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.6 | -36.8 | 172.7 | 75.8 | 0 | 0 | 0 | 0 | 112.4 | K602 N957 R961 K963 | K602-S959 PolarHBondContact O-N 3.48Å; N957-S959 PolarHBondContact OD1-N 3.2Å; N957-S959 PolarHBondContact OD1-OG 2.8Å; S959-R961 VanDerWaalsContact C-N 3.34Å; S959-R961 PolarHBondContact O-N 3.25Å; S959-K963 WeakPolarHBondContact O-CG 3.37Å; S959-K963 PolarHBondContact O-N 3.01Å |
| 960 | K | 95.1 | Very high | 94.2 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.3 | -45 | 171.3 | 167.8 | 172.5 | 164.3 | 164.9 | 0 | 111.1 | E941 N944 N957 F958 K963 V964 | E941-K960 PolarHBondContact O-NZ 3.42Å; N944-K960 HydrophobicContact CB-CB 3.96Å; N944-K960 HydrophobicContact CB-CD 4.15Å; N944-K960 HydrophobicContact CB-CG 4.16Å; N944-K960 WeakPolarHBondContact O-CD 3.46Å; N957-K960 PolarHBondContact OD1-N 3.43Å; F958-K960 VanDerWaalsContact C-N 3.25Å; F958-K960 PolarHBondContact O-N 2.92Å; K960-K963 PolarHBondContact O-N 3.4Å; K960-V964 WeakPolarHBondContact O-CG2 3.41Å; K960-V964 PolarHBondContact O-N 2.92Å; K960-V964 VanDerWaalsContact O-N 3.16Å |
| 961 | R | 95.2 | Very high | 94.3 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 2% | 0.023 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.8 | -40.6 | -175.5 | -84.2 | 71.2 | -174.4 | -175.9 | 0 | 111.2 | T630 S633 F634 E946 N957 F958 S959 K963 V964 A965 | T630-R961 HydrophobicContact CG2-CB 4.16Å; T630-R961 HydrophobicContact CG2-CG 4.38Å; T630-R961 WeakPolarHBondContact OG1-CB 3.37Å; T630-R961 WeakPolarHBondContact OG1-CG 3.26Å; S633-R961 PolarHBondContact OG-NE 3.43Å; S633-R961 PolarHBondContact OG-NH2 3.01Å; F634-R961 HydrophobicContact CD1-CG 4.45Å; F634-R961 HydrophobicContact CE1-CG 4.18Å; E946-R961 PolarHBondContact O-NH1 3.22Å; N957-R961 VanDerWaalsContact O-CD 3.24Å; N957-R961 WeakPolarHBondContact O-CD 3.29Å; N957-R961 PolarHBondContact O-NH1 3.01Å; F958-R961 HydrophobicContact CD2-CB 4.33Å; F958-R961 HydrophobicContact CE2-CB 4.47Å; F958-R961 WeakPolarHBondContact O-CB 3.46Å; F958-R961 PolarHBondContact O-N 2.6Å; S959-R961 VanDerWaalsContact C-N 3.34Å; S959-R961 PolarHBondContact O-N 3.25Å; R961-K963 PolarHBondContact O-N 2.97Å; R961-V964 PolarHBondContact O-N 3.03Å; R961-A965 WeakPolarHBondContact O-CB 3.45Å; R961-A965 PolarHBondContact O-N 3.21Å |
| 962 | R | 94.1 | Very high | 94.2 | Very high | 39 Ų | 39 | 37.3 Ų | 37.3 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.9 | -46.5 | 173.4 | -171 | 170.5 | 60.2 | -109.4 | 0.7 | 112.4 | E589 I601 T626 F958 V964 A965 E966 | E589-R962 IonicContact OE1-CZ 3.47Å; E589-R962 IonicContact OE1-NH2 3.65Å; E589-R962 PolarHBondContact OE1-NH2 2.88Å; I601-R962 PolarHBondContact O-NH1 3.36Å; T626-R962 HydrophobicContact CG2-CB 4.3Å; F958-R962 PolarHBondContact O-N 3.04Å; R962-V964 VanDerWaalsContact C-N 3.35Å; R962-V964 PolarHBondContact O-N 3.24Å; R962-A965 PolarHBondContact O-N 3.05Å; R962-E966 WeakPolarHBondContact O-CG 3.33Å; R962-E966 PolarHBondContact O-N 3.39Å |
| 963 | K | 94.7 | Very high | 94.2 | Very high | 84 Ų | 84 | 39.6 Ų | 39.6 | 37% | 0.365 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.9 | -40.9 | 175.6 | -67.9 | 175.3 | -174.9 | -180 | 0 | 112.9 | T940 N944 S959 K960 R961 I967 | T940-K963 HydrophobicContact CG2-CB 3.58Å; T940-K963 HydrophobicContact CG2-CD 4.18Å; N944-K963 PolarHBondContact OD1-NZ 3.42Å; S959-K963 WeakPolarHBondContact O-CG 3.37Å; S959-K963 PolarHBondContact O-N 3.01Å; K960-K963 PolarHBondContact O-N 3.4Å; R961-K963 PolarHBondContact O-N 2.97Å; K963-I967 WeakPolarHBondContact O-CG1 3.44Å; K963-I967 PolarHBondContact O-N 3.47Å |
| 964 | V | 95.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.6 | -43.2 | 175.7 | 175 | 0 | 0 | 0 | 0 | 110.7 | V805 I937 T940 E941 K960 R961 R962 E966 I967 T968 | V805-V964 HydrophobicContact CG2-CG1 4.05Å; I937-V964 HydrophobicContact CG2-CG1 4.19Å; T940-V964 HydrophobicContact CG2-CG2 3.86Å; E941-V964 HydrophobicContact CG-CG2 3.98Å; K960-V964 WeakPolarHBondContact O-CG2 3.41Å; K960-V964 PolarHBondContact O-N 2.92Å; K960-V964 VanDerWaalsContact O-N 3.16Å; R961-V964 PolarHBondContact O-N 3.03Å; R962-V964 VanDerWaalsContact C-N 3.35Å; R962-V964 PolarHBondContact O-N 3.24Å; V964-E966 VanDerWaalsContact C-N 3.32Å; V964-E966 PolarHBondContact O-N 3.09Å; V964-I967 PolarHBondContact O-N 3.44Å; V964-I967 VanDerWaalsContact O-N 3.15Å; V964-T968 PolarHBondContact O-N 2.91Å |
| 965 | A | 93.8 | Very high | 94 | Very high | 14 Ų | 14 | 30.8 Ų | 30.8 | 12% | 0.116 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.3 | -35.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | T626 T630 R961 R962 I967 T968 G969 | T626-A965 HydrophobicContact CG2-CB 3.83Å; T630-A965 HydrophobicContact CG2-CB 4.08Å; R961-A965 WeakPolarHBondContact O-CB 3.45Å; R961-A965 PolarHBondContact O-N 3.21Å; R962-A965 PolarHBondContact O-N 3.05Å; A965-I967 VanDerWaalsContact C-N 3.33Å; A965-I967 PolarHBondContact O-N 2.91Å; A965-T968 WeakPolarHBondContact CA-OG1 3.45Å; A965-T968 PolarHBondContact O-N 3.41Å; A965-T968 PolarHBondContact O-OG1 3.34Å; A965-G969 PolarHBondContact O-N 3.13Å |
| 966 | E | 93.5 | Very high | 93.4 | Very high | 121 Ų | 121 | 36.6 Ų | 36.6 | 57% | 0.565 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -58.4 | -44.5 | 172.6 | -75.2 | 167.3 | -168.1 | 0 | 0 | 111.2 | R962 V964 G969 E970 | R962-E966 WeakPolarHBondContact O-CG 3.33Å; R962-E966 PolarHBondContact O-N 3.39Å; V964-E966 VanDerWaalsContact C-N 3.32Å; V964-E966 PolarHBondContact O-N 3.09Å; E966-G969 PolarHBondContact O-N 3.48Å; E966-E970 PolarHBondContact O-N 2.93Å; E966-E970 VanDerWaalsContact O-N 3.17Å |
| 967 | I | 95.3 | Very high | 92.9 | Very high | 22 Ų | 22 | 40.4 Ų | 40.4 | 11% | 0.113 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.6 | -44.2 | 177.5 | -57.2 | 165 | 0 | 0 | 0 | 110.8 | Y933 N936 I937 K963 V964 A965 G969 E970 I971 | Y933-I967 HydrophobicContact CD1-CG2 3.82Å; Y933-I967 HydrophobicContact CG-CG2 4.45Å; N936-I967 HydrophobicContact CB-CD1 3.95Å; I937-I967 HydrophobicContact CD1-CG2 4.03Å; I937-I967 HydrophobicContact CG1-CB 4.13Å; I937-I967 HydrophobicContact CG1-CD1 3.92Å; I937-I967 HydrophobicContact CG1-CG2 3.8Å; K963-I967 WeakPolarHBondContact O-CG1 3.44Å; K963-I967 PolarHBondContact O-N 3.47Å; V964-I967 PolarHBondContact O-N 3.44Å; V964-I967 VanDerWaalsContact O-N 3.15Å; A965-I967 VanDerWaalsContact C-N 3.33Å; A965-I967 PolarHBondContact O-N 2.91Å; I967-G969 VanDerWaalsContact C-N 3.26Å; I967-G969 PolarHBondContact O-N 3.18Å; I967-E970 WeakPolarHBondContact O-CB 3.37Å; I967-E970 PolarHBondContact O-N 2.94Å; I967-I971 PolarHBondContact O-N 2.87Å |
| 968 | T | 93.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.4 | -30.6 | 177.6 | 59.6 | 0 | 0 | 0 | 0 | 112.4 | P801 L804 I937 V964 A965 I971 Q972 | P801-T968 HydrophobicContact CB-CG2 4.22Å; L804-T968 HydrophobicContact CB-CG2 4.39Å; L804-T968 HydrophobicContact CD1-CG2 3.93Å; I937-T968 HydrophobicContact CD1-CG2 4.49Å; V964-T968 PolarHBondContact O-N 2.91Å; A965-T968 WeakPolarHBondContact CA-OG1 3.45Å; A965-T968 PolarHBondContact O-N 3.41Å; A965-T968 PolarHBondContact O-OG1 3.34Å; T968-I971 WeakPolarHBondContact O-CB 3.34Å; T968-I971 PolarHBondContact O-N 3.4Å; T968-Q972 WeakPolarHBondContact O-CG 3.29Å; T968-Q972 PolarHBondContact O-N 3.1Å |
| 969 | G | 90.4 | Very high | 92.5 | Very high | 31 Ų | 31 | 41.9 Ų | 41.9 | 32% | 0.32 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.2 | -40.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A965 E966 I967 I971 Q972 Q973 | A965-G969 PolarHBondContact O-N 3.13Å; E966-G969 PolarHBondContact O-N 3.48Å; I967-G969 VanDerWaalsContact C-N 3.26Å; I967-G969 PolarHBondContact O-N 3.18Å; G969-I971 VanDerWaalsContact C-N 3.32Å; G969-I971 PolarHBondContact O-N 2.94Å; G969-Q972 PolarHBondContact O-N 3.43Å; G969-Q973 PolarHBondContact O-N 3.47Å |
| 970 | E | 92.5 | Very high | 92.5 | Very high | 50 Ų | 50 | 43.1 Ų | 43.1 | 23% | 0.234 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.9 | -41.7 | 172.8 | -172.5 | 175.4 | -170.9 | 0 | 0 | 111.1 | Y933 E966 I967 Q973 Y974 | Y933-E970 HydrophobicContact CE1-CB 4.47Å; Y933-E970 HydrophobicContact CE1-CG 4.1Å; E966-E970 PolarHBondContact O-N 2.93Å; E966-E970 VanDerWaalsContact O-N 3.17Å; I967-E970 WeakPolarHBondContact O-CB 3.37Å; I967-E970 PolarHBondContact O-N 2.94Å; E970-Q973 WeakPolarHBondContact O-CB 3.35Å; E970-Q973 PolarHBondContact O-N 3.39Å; E970-Y974 HydrophobicContact CG-CE2 4.08Å; E970-Y974 WeakPolarHBondContact O-CD2 3.44Å |
| 971 | I | 94.9 | Very high | 92.4 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.1 | -52.8 | 175.3 | -63.6 | 170.9 | 0 | 0 | 0 | 110.5 | Y796 L804 F930 Y933 I967 T968 G969 Q973 Y974 Q975 | Y796-I971 HydrophobicContact CE2-CG2 4.29Å; Y796-I971 WeakPolarHBondContact OH-CA 3.23Å; Y796-I971 WeakPolarHBondContact OH-CG2 3.35Å; Y796-I971 PolarHBondContact OH-O 2.95Å; L804-I971 HydrophobicContact CD1-CD1 3.62Å; F930-I971 HydrophobicContact CE1-CD1 4.49Å; F930-I971 HydrophobicContact CE2-CD1 4.34Å; F930-I971 HydrophobicContact CE2-CG2 4.11Å; F930-I971 HydrophobicContact CZ-CD1 3.92Å; Y933-I971 HydrophobicContact CD1-CD1 4.38Å; Y933-I971 HydrophobicContact CD1-CG1 3.96Å; Y933-I971 HydrophobicContact CD2-CD1 3.96Å; Y933-I971 HydrophobicContact CD2-CG1 3.58Å; Y933-I971 HydrophobicContact CE1-CG1 4.16Å; Y933-I971 HydrophobicContact CE2-CG1 3.78Å; Y933-I971 HydrophobicContact CG-CD1 3.81Å; Y933-I971 HydrophobicContact CG-CG1 3.67Å; I967-I971 PolarHBondContact O-N 2.87Å; T968-I971 WeakPolarHBondContact O-CB 3.34Å; T968-I971 PolarHBondContact O-N 3.4Å; G969-I971 VanDerWaalsContact C-N 3.32Å; G969-I971 PolarHBondContact O-N 2.94Å; I971-Q973 VanDerWaalsContact C-N 3.28Å; I971-Q973 PolarHBondContact O-N 3.27Å; I971-Y974 PolarHBondContact O-N 3.13Å; I971-Y974 VanDerWaalsContact O-N 3.17Å; I971-Q975 HydrophobicContact CG2-CG 4.42Å; I971-Q975 WeakPolarHBondContact O-CG 3.08Å; I971-Q975 PolarHBondContact O-N 3.5Å |
| 972 | Q | 89.5 | Confident | 92.4 | Very high | 64 Ų | 64 | 50.7 Ų | 50.7 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.3 | -34.8 | -177.9 | -72 | -178.8 | -60.4 | 0 | 0 | 112.8 | P801 T968 G969 Y974 Q975 | P801-Q972 HydrophobicContact CG-CG 4.21Å; T968-Q972 WeakPolarHBondContact O-CG 3.29Å; T968-Q972 PolarHBondContact O-N 3.1Å; G969-Q972 PolarHBondContact O-N 3.43Å; Q972-Y974 VanDerWaalsContact C-N 3.26Å; Q972-Y974 PolarHBondContact O-N 3.36Å; Q972-Q975 WeakPolarHBondContact O-CB 3.2Å; Q972-Q975 PolarHBondContact O-N 2.88Å |
| 973 | Q | 88.8 | Confident | 92.4 | Very high | 127 Ų | 127 | 52.2 Ų | 52.2 | 59% | 0.593 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -55.5 | -42.8 | 176.1 | -173.7 | -179.7 | 13.2 | 0 | 0 | 111.9 | G969 E970 I971 Q975 | G969-Q973 PolarHBondContact O-N 3.47Å; E970-Q973 WeakPolarHBondContact O-CB 3.35Å; E970-Q973 PolarHBondContact O-N 3.39Å; I971-Q973 VanDerWaalsContact C-N 3.28Å; I971-Q973 PolarHBondContact O-N 3.27Å; Q973-Q975 VanDerWaalsContact C-N 3.34Å |
| 974 | Y | 92.7 | Very high | 92.5 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 9% | 0.086 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -79.6 | -14.6 | 177.7 | -65.4 | -66.2 | 0 | 0 | 0 | 113.6 | L919 I922 P924 C926 P928 E970 I971 Q972 N976 | L919-Y974 HydrophobicContact CD1-CD1 4.46Å; L919-Y974 HydrophobicContact CD1-CE1 3.97Å; L919-Y974 HydrophobicContact CD1-CE2 4.21Å; L919-Y974 HydrophobicContact CD2-CE2 4.03Å; L919-Y974 HydrophobicContact CG-CE1 4.42Å; L919-Y974 HydrophobicContact CG-CE2 4.12Å; L919-Y974 PolarHBondContact O-OH 3.37Å; I922-Y974 HydrophobicContact CD1-CE1 4.22Å; P924-Y974 HydrophobicContact CG-CD1 4.19Å; P924-Y974 HydrophobicContact CG-CE1 4.48Å; C926-Y974 WeakPolarHBondContact SG-CD1 3.4Å; P928-Y974 HydrophobicContact CG-CD2 3.97Å; P928-Y974 HydrophobicContact CG-CG 3.84Å; E970-Y974 HydrophobicContact CG-CE2 4.08Å; E970-Y974 WeakPolarHBondContact O-CD2 3.44Å; I971-Y974 PolarHBondContact O-N 3.13Å; I971-Y974 VanDerWaalsContact O-N 3.17Å; Q972-Y974 VanDerWaalsContact C-N 3.26Å; Q972-Y974 PolarHBondContact O-N 3.36Å; Y974-N976 VanDerWaalsContact C-N 3.33Å |
| 975 | Q | 91.7 | Very high | 92.5 | Very high | 18 Ų | 18 | 53.3 Ų | 53.3 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -78 | -14 | 176.9 | -68.5 | 176.6 | -32.7 | 0 | 0 | 113.2 | Y796 R797 V799 I971 Q972 Q973 | Y796-Q975 HydrophobicContact CD1-CG 3.74Å; Y796-Q975 HydrophobicContact CE1-CB 4.4Å; Y796-Q975 HydrophobicContact CE1-CG 3.39Å; Y796-Q975 PolarHBondContact O-NE2 3.32Å; R797-Q975 HydrophobicContact CG-CB 4.25Å; R797-Q975 HydrophobicContact CG-CG 4.5Å; R797-Q975 PolarHBondContact NH1-O 3.47Å; V799-Q975 PolarHBondContact O-NE2 2.89Å; I971-Q975 HydrophobicContact CG2-CG 4.42Å; I971-Q975 WeakPolarHBondContact O-CG 3.08Å; I971-Q975 PolarHBondContact O-N 3.5Å; Q972-Q975 WeakPolarHBondContact O-CB 3.2Å; Q972-Q975 PolarHBondContact O-N 2.88Å; Q973-Q975 VanDerWaalsContact C-N 3.34Å |
| 976 | N | 85.6 | Confident | 92.6 | Very high | 122 Ų | 122 | 54.5 Ų | 54.5 | 65% | 0.652 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -71.5 | -49.9 | -173 | -70.2 | -34.9 | 0 | 0 | 0 | 113.4 | R797 Y974 P978 | R797-N976 PolarHBondContact NH1-O 2.97Å; Y974-N976 VanDerWaalsContact C-N 3.33Å; N976-P978 WeakPolarHBondContact O-CD 3.31Å |
| 977 | Q | 86.9 | Confident | 92.8 | Very high | 99 Ų | 99 | 48.8 Ų | 48.8 | 46% | 0.463 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -83.4 | 118.6 | -170.9 | -171.1 | 63.2 | 35.1 | 0 | 0 | 112.4 | P924 P925 | P924-Q977 HydrophobicContact CB-CB 3.78Å; P924-Q977 HydrophobicContact CB-CG 4.21Å; P925-Q977 HydrophobicContact CB-CG 4.22Å |
| 978 | P | 90.6 | Very high | 92.9 | Very high | 22 Ų | 22 | 49.4 Ų | 49.4 | 14% | 0.143 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 157.5 | 177.5 | 31.6 | -32.9 | 0 | 0 | 0 | 112.9 | I752 F754 N976 | I752-P978 HydrophobicContact CD1-CB 3.84Å; I752-P978 HydrophobicContact CD1-CG 3.86Å; I752-P978 HydrophobicContact CG1-CG 4.33Å; I752-P978 HydrophobicContact CG2-CB 4.5Å; I752-P978 HydrophobicContact CG2-CG 3.55Å; F754-P978 HydrophobicContact CE1-CB 4.34Å; F754-P978 HydrophobicContact CE1-CG 3.91Å; F754-P978 HydrophobicContact CZ-CB 4.25Å; F754-P978 HydrophobicContact CZ-CG 4.1Å; N976-P978 WeakPolarHBondContact O-CD 3.31Å |
| 979 | Y | 94.4 | Very high | 93 | Very high | 15 Ų | 15 | 55.8 Ų | 55.8 | 6% | 0.059 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 134.4 | 173 | -81.8 | -87 | 0 | 0 | 0 | 112.5 | F754 T789 L865 P925 C926 V927 L981 | F754-Y979 VanDerWaalsContact CZ-O 3.24Å; F754-Y979 WeakPolarHBondContact CZ-O 3.29Å; T789-Y979 HydrophobicContact CG2-CD1 4.01Å; T789-Y979 HydrophobicContact CG2-CD2 4.07Å; T789-Y979 HydrophobicContact CG2-CE1 3.57Å; T789-Y979 HydrophobicContact CG2-CE2 3.64Å; T789-Y979 HydrophobicContact CG2-CG 4.23Å; L865-Y979 HydrophobicContact CB-CE1 4.3Å; L865-Y979 WeakPolarHBondContact O-CE1 3.36Å; L865-Y979 PolarHBondContact O-OH 3.29Å; P925-Y979 HydrophobicContact CB-CD1 3.99Å; P925-Y979 HydrophobicContact CB-CD2 3.9Å; P925-Y979 HydrophobicContact CB-CE1 4.01Å; P925-Y979 HydrophobicContact CB-CE2 3.93Å; P925-Y979 HydrophobicContact CB-CG 3.94Å; P925-Y979 HydrophobicContact CG-CD1 3.71Å; P925-Y979 HydrophobicContact CG-CE1 3.89Å; P925-Y979 HydrophobicContact CG-CG 4.05Å; C926-Y979 WeakPolarHBondContact CA-OH 3.35Å; V927-Y979 HydrophobicContact CG2-CE2 3.71Å; V927-Y979 PolarHBondContact N-OH 3.43Å; Y979-L981 VanDerWaalsContact C-N 3.26Å; Y979-L981 HydrophobicContact CD1-CD1 4.15Å; Y979-L981 PolarHBondContact O-N 3.44Å; Y979-L981 VanDerWaalsContact O-N 3.08Å |
| 980 | C | 93.5 | Very high | 93.3 | Very high | 38 Ų | 38 | 56.5 Ų | 56.5 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | trans | -85.2 | 65.9 | 172 | -167.8 | 0 | 0 | 0 | 0 | 110.8 | F754 S756 P759 | F754-C980 HydrophobicContact CD1-CB 3.68Å; F754-C980 HydrophobicContact CE1-CB 3.87Å; F754-C980 HydrophobicContact CG-CB 4.24Å; S756-C980 PolarHBondContact O-SG 2.97Å; S756-C980 VanDerWaalsContact O-SG 3.34Å; P759-C980 VanDerWaalsContact CD-O 3.25Å; P759-C980 WeakPolarHBondContact CD-O 3.42Å | ||
| 981 | L | 94.6 | Very high | 93.6 | Very high | 25 Ų | 25 | 54.2 Ų | 54.2 | 13% | 0.131 | 26% | 0.264 | C | S | . | . | trans | -130.2 | 149.1 | 179 | -62.9 | 173.7 | 0 | 0 | 0 | 109.5 | P759 R786 L790 L865 Y979 | P759-L981 HydrophobicContact CG-CD2 3.62Å; R786-L981 HydrophobicContact CB-CD1 4.05Å; R786-L981 HydrophobicContact CG-CD1 3.97Å; R786-L981 HydrophobicContact CG-CD2 3.99Å; L790-L981 HydrophobicContact CD1-CB 3.77Å; L790-L981 HydrophobicContact CD2-CB 4.04Å; L790-L981 HydrophobicContact CG-CB 3.97Å; L790-L981 HydrophobicContact CG-CD1 4.3Å; L865-L981 HydrophobicContact CD1-CD1 4.4Å; L865-L981 HydrophobicContact CD2-CD1 4.27Å; Y979-L981 VanDerWaalsContact C-N 3.26Å; Y979-L981 HydrophobicContact CD1-CD1 4.15Å; Y979-L981 PolarHBondContact O-N 3.44Å; Y979-L981 VanDerWaalsContact O-N 3.08Å | ||
| 982 | R | 93.9 | Very high | 93.6 | Very high | 146 Ų | 146 | 59.1 Ų | 59.1 | 55% | 0.551 | 29% | 0.286 | S | S | * | . | trans | -87 | 127.9 | 177.8 | -176.8 | 175.6 | -66.8 | 170.4 | 1.2 | 109.7 | P758 V761 Q787 E984 | P758-R982 HydrophobicContact CB-CB 4.42Å; P758-R982 HydrophobicContact CG-CB 4.5Å; V761-R982 HydrophobicContact CG2-CB 4.3Å; V761-R982 HydrophobicContact CG2-CG 4.4Å; Q787-R982 PolarHBondContact NE2-O 2.98Å; R982-E984 PolarHBondContact O-N 2.93Å | ||
| 983 | V | 95.1 | Very high | 93.9 | Very high | 71 Ų | 71 | 61.7 Ų | 61.7 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | trans | -66.9 | 128.8 | 170.7 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | L790 K988 | L790-V983 HydrophobicContact CD1-CG2 4.03Å; V983-K988 HydrophobicContact CG1-CB 4.45Å; V983-K988 HydrophobicContact CG1-CD 3.88Å | ||
| 984 | E | 95.9 | Very high | 94.1 | Very high | 30 Ų | 30 | 56.6 Ų | 56.6 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | trans | -104.7 | 112.3 | 167.1 | -153.9 | -58.7 | 141.5 | 0 | 0 | 107.2 | V761 W763 Q787 R982 D986 I987 K988 | V761-E984 HydrophobicContact CG1-CB 4.42Å; V761-E984 HydrophobicContact CG1-CG 3.97Å; W763-E984 HydrophobicContact CH2-CG 4.09Å; W763-E984 HydrophobicContact CZ2-CG 3.79Å; Q787-E984 HydrophobicContact CG-CB 4.3Å; R982-E984 PolarHBondContact O-N 2.93Å; E984-D986 VanDerWaalsContact C-N 3.34Å; E984-D986 PolarHBondContact O-N 2.74Å; E984-D986 WeakPolarHBondContact OE2-CA 3.29Å; E984-D986 WeakPolarHBondContact OE2-CB 3.2Å; E984-D986 PolarHBondContact OE2-N 2.86Å; E984-I987 HydrophobicContact CB-CB 4.33Å; E984-I987 HydrophobicContact CB-CD1 4.12Å; E984-I987 HydrophobicContact CB-CG1 4.41Å; E984-I987 HydrophobicContact CG-CD1 3.93Å; E984-I987 HydrophobicContact CG-CG1 4.26Å; E984-I987 PolarHBondContact O-N 3.45Å; E984-I987 WeakPolarHBondContact OE2-CG1 3.46Å; E984-I987 PolarHBondContact OE2-N 3.18Å; E984-K988 VanDerWaalsContact O-CB 3.31Å; E984-K988 WeakPolarHBondContact O-CB 3.19Å; E984-K988 PolarHBondContact O-N 3.36Å | ||
| 985 | S | 95.6 | Very high | 94.2 | Very high | 77 Ų | 77 | 59.6 Ų | 59.6 | 54% | 0.538 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.5 | -36.3 | -167 | -58.6 | 0 | 0 | 0 | 0 | 113.9 | R989 | S985-R989 VanDerWaalsContact O-CB 3.29Å; S985-R989 WeakPolarHBondContact O-CB 3.39Å; S985-R989 PolarHBondContact O-N 3.24Å; S985-R989 VanDerWaalsContact O-N 3.08Å |
| 986 | D | 97 | Very high | 94.3 | Very high | 39 Ų | 39 | 58.9 Ų | 58.9 | 21% | 0.209 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -77 | -42 | -176.1 | -72.6 | -23 | 0 | 0 | 0 | 110.8 | I771 F774 E984 R989 F990 | I771-D986 HydrophobicContact CG2-CB 3.7Å; F774-D986 HydrophobicContact CE2-CB 3.83Å; F774-D986 HydrophobicContact CZ-CB 4.09Å; E984-D986 VanDerWaalsContact C-N 3.34Å; E984-D986 PolarHBondContact O-N 2.74Å; E984-D986 WeakPolarHBondContact OE2-CA 3.29Å; E984-D986 WeakPolarHBondContact OE2-CB 3.2Å; E984-D986 PolarHBondContact OE2-N 2.86Å; D986-R989 PolarHBondContact O-N 3.46Å; D986-F990 WeakPolarHBondContact O-CB 3.44Å; D986-F990 PolarHBondContact O-N 3.4Å |
| 987 | I | 97.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.8 | -43.2 | 177 | -60.8 | 173.5 | 0 | 0 | 0 | 109.6 | W763 F774 L779 E783 Q787 E984 R989 F990 F991 | W763-I987 HydrophobicContact CH2-CD1 4.11Å; W763-I987 HydrophobicContact CH2-CG1 4.43Å; W763-I987 HydrophobicContact CZ3-CD1 4.27Å; F774-I987 HydrophobicContact CD2-CG1 4.42Å; F774-I987 HydrophobicContact CE2-CB 4.43Å; F774-I987 HydrophobicContact CE2-CG1 3.7Å; F774-I987 HydrophobicContact CZ-CG1 4.13Å; L779-I987 HydrophobicContact CD1-CG2 4.29Å; L779-I987 HydrophobicContact CD2-CD1 4.13Å; L779-I987 HydrophobicContact CD2-CG1 4.05Å; E783-I987 HydrophobicContact CG-CD1 3.68Å; Q787-I987 HydrophobicContact CB-CB 4.43Å; Q787-I987 HydrophobicContact CB-CG2 3.68Å; Q787-I987 HydrophobicContact CG-CB 3.95Å; Q787-I987 HydrophobicContact CG-CD1 4.49Å; Q787-I987 HydrophobicContact CG-CG2 3.58Å; E984-I987 HydrophobicContact CB-CB 4.33Å; E984-I987 HydrophobicContact CB-CD1 4.12Å; E984-I987 HydrophobicContact CB-CG1 4.41Å; E984-I987 HydrophobicContact CG-CD1 3.93Å; E984-I987 HydrophobicContact CG-CG1 4.26Å; E984-I987 PolarHBondContact O-N 3.45Å; E984-I987 WeakPolarHBondContact OE2-CG1 3.46Å; E984-I987 PolarHBondContact OE2-N 3.18Å; I987-R989 VanDerWaalsContact C-N 3.34Å; I987-R989 PolarHBondContact O-N 3.14Å; I987-F990 WeakPolarHBondContact O-CB 3.49Å; I987-F990 PolarHBondContact O-N 3.37Å; I987-F991 HydrophobicContact CG2-CD2 3.76Å; I987-F991 HydrophobicContact CG2-CE2 3.51Å; I987-F991 WeakPolarHBondContact O-CD2 3.46Å; I987-F991 PolarHBondContact O-N 3.21Å; I987-F991 VanDerWaalsContact O-N 3.14Å |
| 988 | K | 96.2 | Very high | 94.9 | Very high | 36 Ų | 36 | 52.1 Ų | 52.1 | 16% | 0.157 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.9 | -50.2 | 173.2 | -176.6 | -179.9 | 175.9 | 110.8 | 0 | 110.5 | L791 D794 V983 E984 F990 F991 E992 | L791-K988 HydrophobicContact CD1-CD 4.41Å; L791-K988 HydrophobicContact CD1-CG 3.87Å; D794-K988 IonicContact OD2-NZ 2.66Å; D794-K988 PolarHBondContact OD2-NZ 2.94Å; V983-K988 HydrophobicContact CG1-CB 4.45Å; V983-K988 HydrophobicContact CG1-CD 3.88Å; E984-K988 VanDerWaalsContact O-CB 3.31Å; E984-K988 WeakPolarHBondContact O-CB 3.19Å; E984-K988 PolarHBondContact O-N 3.36Å; K988-F990 VanDerWaalsContact C-N 3.31Å; K988-F990 PolarHBondContact O-N 3.37Å; K988-F991 PolarHBondContact O-N 3.19Å; K988-E992 WeakPolarHBondContact CE-OE1 3.49Å; K988-E992 HydrophobicContact CG-CG 4.41Å; K988-E992 WeakPolarHBondContact O-CG 3.48Å; K988-E992 PolarHBondContact O-N 2.91Å |
| 989 | R | 95.8 | Very high | 95 | Very high | 135 Ų | 135 | 59 Ų | 59 | 51% | 0.509 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.5 | -37.2 | 179.1 | -175.9 | -179.8 | -62.6 | 156.2 | 4.1 | 112.8 | S985 D986 I987 E992 N993 | S985-R989 VanDerWaalsContact O-CB 3.29Å; S985-R989 WeakPolarHBondContact O-CB 3.39Å; S985-R989 PolarHBondContact O-N 3.24Å; S985-R989 VanDerWaalsContact O-N 3.08Å; D986-R989 PolarHBondContact O-N 3.46Å; I987-R989 VanDerWaalsContact C-N 3.34Å; I987-R989 PolarHBondContact O-N 3.14Å; R989-E992 PolarHBondContact O-N 3.38Å; R989-N993 WeakPolarHBondContact CG-ND2 3.15Å; R989-N993 WeakPolarHBondContact O-CB 3.4Å; R989-N993 VanDerWaalsContact O-CG 3.28Å; R989-N993 PolarHBondContact O-N 2.95Å; R989-N993 VanDerWaalsContact O-N 3.08Å; R989-N993 PolarHBondContact O-ND2 3.45Å |
| 990 | F | 97.5 | Very high | 94.9 | Very high | 46 Ų | 46 | 60.5 Ų | 60.5 | 20% | 0.202 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.2 | -47.4 | 175 | 171.5 | -96.8 | 0 | 0 | 0 | 111.4 | F774 L779 W834 D986 I987 K988 N993 L994 | F774-F990 HydrophobicContact CB-CD2 3.66Å; F774-F990 HydrophobicContact CB-CE2 3.82Å; F774-F990 HydrophobicContact CB-CG 4.06Å; F774-F990 HydrophobicContact CB-CZ 4.35Å; F774-F990 HydrophobicContact CD2-CB 3.9Å; F774-F990 HydrophobicContact CD2-CD2 4.38Å; F774-F990 HydrophobicContact CD2-CG 4.13Å; F774-F990 VanDerWaalsContact O-CE2 3.26Å; F774-F990 WeakPolarHBondContact O-CE2 3.19Å; L779-F990 HydrophobicContact CD1-CD1 4.27Å; L779-F990 HydrophobicContact CD1-CE1 4.39Å; W834-F990 HydrophobicContact CZ2-CE1 4.26Å; W834-F990 HydrophobicContact CZ2-CZ 4.25Å; D986-F990 WeakPolarHBondContact O-CB 3.44Å; D986-F990 PolarHBondContact O-N 3.4Å; I987-F990 WeakPolarHBondContact O-CB 3.49Å; I987-F990 PolarHBondContact O-N 3.37Å; K988-F990 VanDerWaalsContact C-N 3.31Å; K988-F990 PolarHBondContact O-N 3.37Å; F990-N993 PolarHBondContact O-N 3.46Å; F990-L994 HydrophobicContact CE1-CD2 4.46Å; F990-L994 HydrophobicContact CZ-CD2 4.41Å; F990-L994 PolarHBondContact O-N 3.26Å |
| 991 | F | 97.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 65.4 Ų | 65.4 | 1% | 0.013 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -72.8 | -32.2 | 178.9 | -71.2 | -63.8 | 0 | 0 | 0 | 113.8 | L779 I784 L788 L791 L831 W834 I987 K988 N993 L994 | L779-F991 HydrophobicContact CD1-CE2 4.4Å; L779-F991 HydrophobicContact CD1-CZ 4.39Å; I784-F991 HydrophobicContact CB-CE2 4.46Å; I784-F991 HydrophobicContact CB-CZ 4.15Å; I784-F991 HydrophobicContact CG1-CE2 4.42Å; I784-F991 HydrophobicContact CG1-CZ 4Å; I784-F991 HydrophobicContact CG2-CE1 4.27Å; I784-F991 HydrophobicContact CG2-CE2 4.19Å; I784-F991 HydrophobicContact CG2-CZ 3.57Å; L788-F991 HydrophobicContact CD1-CD1 4.28Å; L788-F991 HydrophobicContact CD1-CE1 4.09Å; L788-F991 HydrophobicContact CD1-CZ 4.31Å; L788-F991 HydrophobicContact CD2-CB 3.73Å; L788-F991 HydrophobicContact CD2-CD1 3.57Å; L788-F991 HydrophobicContact CD2-CD2 4.03Å; L788-F991 HydrophobicContact CD2-CE1 4.22Å; L788-F991 HydrophobicContact CD2-CG 3.5Å; L788-F991 VanDerWaalsContact CD2-CG 3.5Å; L788-F991 HydrophobicContact CG-CD1 4.07Å; L788-F991 HydrophobicContact CG-CD2 4.1Å; L788-F991 HydrophobicContact CG-CE1 4.25Å; L788-F991 HydrophobicContact CG-CE2 4.25Å; L788-F991 HydrophobicContact CG-CG 4.03Å; L788-F991 HydrophobicContact CG-CZ 4.36Å; L791-F991 HydrophobicContact CD2-CB 4.47Å; L831-F991 HydrophobicContact CD1-CD1 4.43Å; W834-F991 HydrophobicContact CH2-CE1 4.11Å; W834-F991 HydrophobicContact CZ3-CE1 4.13Å; I987-F991 HydrophobicContact CG2-CD2 3.76Å; I987-F991 HydrophobicContact CG2-CE2 3.51Å; I987-F991 WeakPolarHBondContact O-CD2 3.46Å; I987-F991 PolarHBondContact O-N 3.21Å; I987-F991 VanDerWaalsContact O-N 3.14Å; K988-F991 PolarHBondContact O-N 3.19Å; F991-N993 VanDerWaalsContact C-N 3.28Å; F991-N993 PolarHBondContact O-N 2.87Å; F991-L994 HydrophobicContact CD1-CD1 3.6Å; F991-L994 HydrophobicContact CD1-CG 4.29Å; F991-L994 HydrophobicContact CE1-CD1 4.21Å; F991-L994 PolarHBondContact O-N 3Å |
| 992 | E | 95 | Very high | 94.7 | Very high | 105 Ų | 105 | 69.1 Ų | 69.1 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.8 | -35.2 | 171.6 | -75.3 | 175.1 | 159.8 | 0 | 0 | 112.4 | L791 K988 R989 | L791-E992 HydrophobicContact CD1-CG 3.48Å; L791-E992 VanDerWaalsContact CD1-CG 3.48Å; L791-E992 HydrophobicContact CD2-CG 4.4Å; K988-E992 WeakPolarHBondContact CE-OE1 3.49Å; K988-E992 HydrophobicContact CG-CG 4.41Å; K988-E992 WeakPolarHBondContact O-CG 3.48Å; K988-E992 PolarHBondContact O-N 2.91Å; R989-E992 PolarHBondContact O-N 3.38Å |
| 993 | N | 95.4 | Very high | 94.7 | Very high | 119 Ų | 119 | 69.1 Ų | 69.1 | 64% | 0.636 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 6.6 | -177.8 | -68.7 | -26.5 | 0 | 0 | 0 | 113.8 | R989 F990 F991 N995 | R989-N993 WeakPolarHBondContact CG-ND2 3.15Å; R989-N993 WeakPolarHBondContact O-CB 3.4Å; R989-N993 VanDerWaalsContact O-CG 3.28Å; R989-N993 PolarHBondContact O-N 2.95Å; R989-N993 VanDerWaalsContact O-N 3.08Å; R989-N993 PolarHBondContact O-ND2 3.45Å; F990-N993 PolarHBondContact O-N 3.46Å; F991-N993 VanDerWaalsContact C-N 3.28Å; F991-N993 PolarHBondContact O-N 2.87Å; N993-N995 PolarHBondContact O-N 3.47Å; N993-N995 VanDerWaalsContact O-N 3.13Å |
| 994 | L | 94.1 | Very high | 94.7 | Very high | 20 Ų | 20 | 71.5 Ų | 71.5 | 11% | 0.105 | 36% | 0.364 | C | S | . | . | trans | -61.5 | 117.4 | 177.1 | -84.3 | -177.5 | 0 | 0 | 0 | 111 | N830 L831 W834 F990 F991 | N830-L994 PolarHBondContact ND2-O 3.13Å; L831-L994 HydrophobicContact CD1-CD1 3.79Å; W834-L994 HydrophobicContact CB-CD1 4.26Å; W834-L994 VanDerWaalsContact CD1-CD2 3.48Å; W834-L994 HydrophobicContact CD2-CD1 3.95Å; W834-L994 HydrophobicContact CD2-CD2 4.04Å; W834-L994 HydrophobicContact CE3-CD1 4.21Å; W834-L994 HydrophobicContact CG-CD1 3.99Å; W834-L994 HydrophobicContact CG-CD2 3.79Å; F990-L994 HydrophobicContact CE1-CD2 4.46Å; F990-L994 HydrophobicContact CZ-CD2 4.41Å; F990-L994 PolarHBondContact O-N 3.26Å; F991-L994 HydrophobicContact CD1-CD1 3.6Å; F991-L994 HydrophobicContact CD1-CG 4.29Å; F991-L994 HydrophobicContact CE1-CD1 4.21Å; F991-L994 PolarHBondContact O-N 3Å | ||
| 995 | N | 94.4 | Very high | 94.7 | Very high | 85 Ų | 85 | 70.4 Ų | 70.4 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | trans | -131.7 | 79.3 | 174 | -176.4 | 11.6 | 0 | 0 | 0 | 110.2 | N993 M997 G998 | N993-N995 PolarHBondContact O-N 3.47Å; N993-N995 VanDerWaalsContact O-N 3.13Å; N995-M997 VanDerWaalsContact C-N 3.31Å; N995-M997 PolarHBondContact O-N 3.48Å; N995-G998 PolarHBondContact ND2-O 3.47Å; N995-G998 PolarHBondContact O-N 3.23Å; N995-G998 PolarHBondContact OD1-N 3.34Å; N995-G998 PolarHBondContact OD1-O 3.13Å | ||
| 996 | P | 94.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.019 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -36.6 | -175.9 | 26.8 | -37 | 0 | 0 | 0 | 113.1 | N830 L833 W834 K837 G998 F1005 | N830-P996 HydrophobicContact CB-CG 4.39Å; N830-P996 WeakPolarHBondContact O-CG 3.5Å; L833-P996 HydrophobicContact CB-CB 4.15Å; L833-P996 HydrophobicContact CB-CG 3.67Å; W834-P996 HydrophobicContact CB-CB 4.22Å; W834-P996 HydrophobicContact CB-CG 4.46Å; K837-P996 HydrophobicContact CD-CB 4.18Å; K837-P996 PolarHBondContact NZ-O 3.08Å; P996-G998 VanDerWaalsContact C-N 3.29Å; P996-G998 PolarHBondContact O-N 2.92Å; P996-F1005 HydrophobicContact CB-CE1 4.27Å; P996-F1005 HydrophobicContact CB-CZ 4.08Å; P996-F1005 VanDerWaalsContact O-CE2 3.23Å; P996-F1005 WeakPolarHBondContact O-CE2 3.41Å; P996-F1005 WeakPolarHBondContact O-CZ 3.42Å |
| 997 | M | 91.9 | Very high | 94.7 | Very high | 43 Ų | 43 | 71.1 Ų | 71.1 | 21% | 0.212 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -21.4 | -179.4 | -62.9 | -176.1 | -69 | 0 | 0 | 113 | L833 N995 N999 S1000 F1005 | L833-M997 HydrophobicContact CD1-CE 4.5Å; L833-M997 HydrophobicContact CD1-CG 3.9Å; L833-M997 HydrophobicContact CD1-SD 3.87Å; N995-M997 VanDerWaalsContact C-N 3.31Å; N995-M997 PolarHBondContact O-N 3.48Å; M997-N999 PolarHBondContact O-N 3.2Å; M997-S1000 VanDerWaalsContact O-CB 3.29Å; M997-S1000 WeakPolarHBondContact O-CB 3.27Å; M997-S1000 PolarHBondContact O-N 3.08Å; M997-S1000 PolarHBondContact O-OG 2.95Å; M997-F1005 HydrophobicContact CB-CB 4.49Å; M997-F1005 HydrophobicContact CB-CD1 4.42Å; M997-F1005 HydrophobicContact CB-CG 4.24Å; M997-F1005 HydrophobicContact CG-CB 4.14Å; M997-F1005 HydrophobicContact CG-CD1 3.6Å; M997-F1005 HydrophobicContact CG-CE1 4.12Å; M997-F1005 HydrophobicContact CG-CG 3.84Å |
| 998 | G | 92.7 | Very high | 94.7 | Very high | 35 Ų | 35 | 75.1 Ų | 75.1 | 36% | 0.361 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | -117 | -173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | N995 P996 | N995-G998 PolarHBondContact ND2-O 3.47Å; N995-G998 PolarHBondContact O-N 3.23Å; N995-G998 PolarHBondContact OD1-N 3.34Å; N995-G998 PolarHBondContact OD1-O 3.13Å; P996-G998 VanDerWaalsContact C-N 3.29Å; P996-G998 PolarHBondContact O-N 2.92Å |
| 999 | N | 92.3 | Very high | 94.8 | Very high | 168 Ų | 168 | 73.4 Ų | 73.4 | 90% | 0.898 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 4.6 | 176.6 | -59.2 | -23 | 0 | 0 | 0 | 112.7 | M997 | M997-N999 PolarHBondContact O-N 3.2Š|
| 1000 | S | 93 | Very high | 94.9 | Very high | 46 Ų | 46 | 69.6 Ų | 69.6 | 32% | 0.322 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -79.3 | 150.4 | -175.8 | -34.5 | 0 | 0 | 0 | 0 | 110.4 | M997 | M997-S1000 VanDerWaalsContact O-CB 3.29Å; M997-S1000 WeakPolarHBondContact O-CB 3.27Å; M997-S1000 PolarHBondContact O-N 3.08Å; M997-S1000 PolarHBondContact O-OG 2.95Å |
| 1001 | M | 92.3 | Very high | 94.9 | Very high | 141 Ų | 141 | 72.1 Ų | 72.1 | 70% | 0.695 | 37% | 0.37 | S | S | * | . | trans | -72.9 | 152.8 | 171.7 | -64 | -62.5 | -68.2 | 0 | 0 | 110.5 | K1003 E1004 F1005 | M1001-K1003 VanDerWaalsContact C-N 3.33Å; M1001-K1003 PolarHBondContact O-N 3.25Å; M1001-E1004 HydrophobicContact CB-CB 4.46Å; M1001-E1004 WeakPolarHBondContact O-CB 3.37Å; M1001-E1004 PolarHBondContact O-N 3.47Å; M1001-F1005 PolarHBondContact O-N 3.17Å | ||
| 1002 | E | 91.3 | Very high | 94.9 | Very high | 103 Ų | 103 | 73.5 Ų | 73.5 | 48% | 0.481 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -47.7 | -52.8 | -179.8 | -177 | -176.7 | 167.2 | 0 | 0 | 112 | E1004 F1005 T1006 S1227 | E1002-E1004 PolarHBondContact O-N 3.48Å; E1002-F1005 PolarHBondContact O-N 3.27Å; E1002-T1006 PolarHBondContact O-N 3.07Å; E1002-T1006 PolarHBondContact O-OG1 3.08Å; E1002-S1227 PolarHBondContact OE1-OG 3.4Å |
| 1003 | K | 93.2 | Very high | 95 | Very high | 146 Ų | 146 | 68.5 Ų | 68.5 | 64% | 0.635 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.2 | -44.8 | 179.3 | 177.3 | 167.8 | 173.4 | 42 | 0 | 113.1 | M1001 F1005 T1006 D1007 | M1001-K1003 VanDerWaalsContact C-N 3.33Å; M1001-K1003 PolarHBondContact O-N 3.25Å; K1003-F1005 VanDerWaalsContact C-N 3.3Å; K1003-F1005 PolarHBondContact O-N 2.88Å; K1003-T1006 PolarHBondContact O-N 2.94Å; K1003-D1007 IonicContact NZ-OD1 3.77Å; K1003-D1007 IonicContact NZ-OD2 2.85Å; K1003-D1007 PolarHBondContact NZ-OD2 3.32Å; K1003-D1007 VanDerWaalsContact O-CB 3.31Å; K1003-D1007 WeakPolarHBondContact O-CB 3.34Å; K1003-D1007 PolarHBondContact O-N 3Å |
| 1004 | E | 95.4 | Very high | 95.1 | Very high | 120 Ų | 120 | 65.1 Ų | 65.1 | 56% | 0.561 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63 | -42 | 179.7 | -180 | -177.1 | -173.2 | 0 | 0 | 110.7 | M1001 E1002 D1007 Y1008 | M1001-E1004 HydrophobicContact CB-CB 4.46Å; M1001-E1004 WeakPolarHBondContact O-CB 3.37Å; M1001-E1004 PolarHBondContact O-N 3.47Å; E1002-E1004 PolarHBondContact O-N 3.48Å; E1004-D1007 PolarHBondContact O-N 2.51Å; E1004-Y1008 WeakPolarHBondContact O-CB 3.49Å; E1004-Y1008 PolarHBondContact O-N 3.28Å |
| 1005 | F | 96.3 | Very high | 95.3 | Very high | 7 Ų | 7 | 68.3 Ų | 68.3 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.2 | -43.8 | 178.9 | -171.1 | -108.8 | 0 | 0 | 0 | 112.3 | L833 K837 P996 M997 M1001 E1002 K1003 D1007 Y1008 L1009 | L833-F1005 HydrophobicContact CB-CE1 4.16Å; L833-F1005 HydrophobicContact CD1-CD1 4.39Å; L833-F1005 HydrophobicContact CD1-CE1 4.46Å; L833-F1005 HydrophobicContact CD2-CD1 4.38Å; L833-F1005 HydrophobicContact CD2-CE1 4.28Å; K837-F1005 HydrophobicContact CB-CZ 4.19Å; K837-F1005 HydrophobicContact CD-CE2 4.45Å; K837-F1005 HydrophobicContact CD-CZ 4.05Å; K837-F1005 HydrophobicContact CG-CZ 4.24Å; P996-F1005 HydrophobicContact CB-CE1 4.27Å; P996-F1005 HydrophobicContact CB-CZ 4.08Å; P996-F1005 VanDerWaalsContact O-CE2 3.23Å; P996-F1005 WeakPolarHBondContact O-CE2 3.41Å; P996-F1005 WeakPolarHBondContact O-CZ 3.42Å; M997-F1005 HydrophobicContact CB-CB 4.49Å; M997-F1005 HydrophobicContact CB-CD1 4.42Å; M997-F1005 HydrophobicContact CB-CG 4.24Å; M997-F1005 HydrophobicContact CG-CB 4.14Å; M997-F1005 HydrophobicContact CG-CD1 3.6Å; M997-F1005 HydrophobicContact CG-CE1 4.12Å; M997-F1005 HydrophobicContact CG-CG 3.84Å; M1001-F1005 PolarHBondContact O-N 3.17Å; E1002-F1005 PolarHBondContact O-N 3.27Å; K1003-F1005 VanDerWaalsContact C-N 3.3Å; K1003-F1005 PolarHBondContact O-N 2.88Å; F1005-D1007 VanDerWaalsContact C-N 3.33Å; F1005-D1007 PolarHBondContact O-N 3.5Å; F1005-Y1008 HydrophobicContact CD2-CD1 4.08Å; F1005-Y1008 AromaticContact CE2-CD1 3.98Å; F1005-Y1008 HydrophobicContact CE2-CD1 3.98Å; F1005-Y1008 HydrophobicContact CE2-CE1 4.25Å; F1005-Y1008 WeakPolarHBondContact O-CB 3.17Å; F1005-Y1008 PolarHBondContact O-N 2.78Å; F1005-L1009 HydrophobicContact CD1-CD1 3.95Å; F1005-L1009 HydrophobicContact CD1-CG 4.21Å; F1005-L1009 HydrophobicContact CE1-CD1 3.6Å; F1005-L1009 HydrophobicContact CE1-CD2 4.07Å; F1005-L1009 HydrophobicContact CE1-CG 3.9Å; F1005-L1009 HydrophobicContact CE2-CD2 4.41Å; F1005-L1009 HydrophobicContact CZ-CD1 4.25Å; F1005-L1009 HydrophobicContact CZ-CD2 3.84Å; F1005-L1009 HydrophobicContact CZ-CG 4.13Å; F1005-L1009 WeakPolarHBondContact O-CG 3.34Å; F1005-L1009 PolarHBondContact O-N 2.8Å |
| 1006 | T | 95.8 | Very high | 95.4 | Very high | 61 Ų | 61 | 64.3 Ų | 64.3 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 175.1 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | E1002 K1003 Y1008 L1009 F1010 | E1002-T1006 PolarHBondContact O-N 3.07Å; E1002-T1006 PolarHBondContact O-OG1 3.08Å; K1003-T1006 PolarHBondContact O-N 2.94Å; T1006-Y1008 VanDerWaalsContact C-N 3.33Å; T1006-L1009 PolarHBondContact O-N 2.89Å; T1006-F1010 PolarHBondContact O-N 2.9Å |
| 1007 | D | 96.2 | Very high | 95.6 | Very high | 71 Ų | 71 | 64.3 Ų | 64.3 | 38% | 0.38 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 175 | -70.7 | -19.5 | 0 | 0 | 0 | 110.3 | K1003 E1004 F1005 F1010 N1011 | K1003-D1007 IonicContact NZ-OD1 3.77Å; K1003-D1007 IonicContact NZ-OD2 2.85Å; K1003-D1007 PolarHBondContact NZ-OD2 3.32Å; K1003-D1007 VanDerWaalsContact O-CB 3.31Å; K1003-D1007 WeakPolarHBondContact O-CB 3.34Å; K1003-D1007 PolarHBondContact O-N 3Å; E1004-D1007 PolarHBondContact O-N 2.51Å; F1005-D1007 VanDerWaalsContact C-N 3.33Å; F1005-D1007 PolarHBondContact O-N 3.5Å; D1007-F1010 PolarHBondContact O-N 3.45Å; D1007-N1011 WeakPolarHBondContact O-CB 3.43Å; D1007-N1011 PolarHBondContact O-N 3.18Å; D1007-N1011 PolarHBondContact O-ND2 3.26Å |
| 1008 | Y | 97.8 | Very high | 95.8 | Very high | 84 Ų | 84 | 63.4 Ų | 63.4 | 33% | 0.329 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.8 | -50 | 172.8 | 163.9 | -101.7 | 0 | 0 | 0 | 112.4 | E841 E1004 F1005 T1006 F1010 N1011 K1012 | E841-Y1008 HydrophobicContact CG-CE1 4.48Å; E841-Y1008 PolarHBondContact OE1-OH 2.95Å; E1004-Y1008 WeakPolarHBondContact O-CB 3.49Å; E1004-Y1008 PolarHBondContact O-N 3.28Å; F1005-Y1008 HydrophobicContact CD2-CD1 4.08Å; F1005-Y1008 AromaticContact CE2-CD1 3.98Å; F1005-Y1008 HydrophobicContact CE2-CD1 3.98Å; F1005-Y1008 HydrophobicContact CE2-CE1 4.25Å; F1005-Y1008 WeakPolarHBondContact O-CB 3.17Å; F1005-Y1008 PolarHBondContact O-N 2.78Å; T1006-Y1008 VanDerWaalsContact C-N 3.33Å; Y1008-F1010 VanDerWaalsContact C-N 3.31Å; Y1008-F1010 PolarHBondContact O-N 3.29Å; Y1008-N1011 PolarHBondContact O-N 2.85Å; Y1008-K1012 HydrophobicContact CD2-CG 4.21Å; Y1008-K1012 HydrophobicContact CE1-CG 4.37Å; Y1008-K1012 HydrophobicContact CE2-CD 4.41Å; Y1008-K1012 HydrophobicContact CE2-CG 3.69Å; Y1008-K1012 PolarHBondContact O-N 3.42Å |
| 1009 | L | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 178.5 | -67 | 177.4 | 0 | 0 | 0 | 111.1 | L833 E836 K837 V840 P882 F1005 T1006 K1012 S1013 | L833-L1009 HydrophobicContact CD2-CD1 4.13Å; E836-L1009 HydrophobicContact CB-CD1 4.02Å; K837-L1009 HydrophobicContact CB-CD2 4.17Å; V840-L1009 HydrophobicContact CG2-CB 4.32Å; V840-L1009 HydrophobicContact CG2-CD2 3.47Å; V840-L1009 VanDerWaalsContact CG2-CD2 3.47Å; P882-L1009 HydrophobicContact CB-CB 4.1Å; P882-L1009 HydrophobicContact CG-CB 3.68Å; F1005-L1009 HydrophobicContact CD1-CD1 3.95Å; F1005-L1009 HydrophobicContact CD1-CG 4.21Å; F1005-L1009 HydrophobicContact CE1-CD1 3.6Å; F1005-L1009 HydrophobicContact CE1-CD2 4.07Å; F1005-L1009 HydrophobicContact CE1-CG 3.9Å; F1005-L1009 HydrophobicContact CE2-CD2 4.41Å; F1005-L1009 HydrophobicContact CZ-CD1 4.25Å; F1005-L1009 HydrophobicContact CZ-CD2 3.84Å; F1005-L1009 HydrophobicContact CZ-CG 4.13Å; F1005-L1009 WeakPolarHBondContact O-CG 3.34Å; F1005-L1009 PolarHBondContact O-N 2.8Å; T1006-L1009 PolarHBondContact O-N 2.89Å; L1009-K1012 PolarHBondContact O-N 2.91Å; L1009-S1013 PolarHBondContact O-N 2.92Å |
| 1010 | F | 97.8 | Very high | 95.9 | Very high | 56 Ų | 56 | 68.1 Ų | 68.1 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 179 | -169 | -105.5 | 0 | 0 | 0 | 112.4 | P882 T1006 D1007 Y1008 S1013 L1014 | P882-F1010 HydrophobicContact CG-CB 4.24Å; P882-F1010 HydrophobicContact CG-CD2 4.44Å; T1006-F1010 PolarHBondContact O-N 2.9Å; D1007-F1010 PolarHBondContact O-N 3.45Å; Y1008-F1010 VanDerWaalsContact C-N 3.31Å; Y1008-F1010 PolarHBondContact O-N 3.29Å; F1010-S1013 WeakPolarHBondContact O-CB 3.41Å; F1010-S1013 PolarHBondContact O-N 3.43Å; F1010-L1014 HydrophobicContact CD1-CD1 3.89Å; F1010-L1014 HydrophobicContact CD1-CG 4.34Å; F1010-L1014 HydrophobicContact CE1-CD1 3.62Å; F1010-L1014 HydrophobicContact CE1-CD2 4.5Å; F1010-L1014 HydrophobicContact CE1-CG 4.1Å; F1010-L1014 HydrophobicContact CZ-CD1 4.44Å; F1010-L1014 WeakPolarHBondContact O-CG 3.26Å; F1010-L1014 PolarHBondContact O-N 2.91Å |
| 1011 | N | 97.6 | Very high | 95.9 | Very high | 98 Ų | 98 | 72.2 Ų | 72.2 | 52% | 0.524 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 175.1 | -73.6 | -34.3 | 0 | 0 | 0 | 111.7 | D1007 Y1008 S1013 L1014 E1015 | D1007-N1011 WeakPolarHBondContact O-CB 3.43Å; D1007-N1011 PolarHBondContact O-N 3.18Å; D1007-N1011 PolarHBondContact O-ND2 3.26Å; Y1008-N1011 PolarHBondContact O-N 2.85Å; N1011-S1013 VanDerWaalsContact C-N 3.32Å; N1011-S1013 PolarHBondContact O-N 2.93Å; N1011-L1014 PolarHBondContact O-N 3.41Å; N1011-E1015 PolarHBondContact O-N 3.19Å |
| 1012 | K | 97.7 | Very high | 96 | Very high | 33 Ų | 33 | 72.4 Ų | 72.4 | 14% | 0.143 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.1 | -42 | 172.4 | -84 | -74.5 | 170.5 | -160.1 | 0 | 111.7 | V840 E843 Y1008 L1009 L1014 E1015 I1016 | V840-K1012 HydrophobicContact CB-CB 3.98Å; V840-K1012 HydrophobicContact CG2-CB 3.94Å; E843-K1012 IonicContact OE1-NZ 2.71Å; E843-K1012 PolarHBondContact OE1-NZ 2.68Å; Y1008-K1012 HydrophobicContact CD2-CG 4.21Å; Y1008-K1012 HydrophobicContact CE1-CG 4.37Å; Y1008-K1012 HydrophobicContact CE2-CD 4.41Å; Y1008-K1012 HydrophobicContact CE2-CG 3.69Å; Y1008-K1012 PolarHBondContact O-N 3.42Å; L1009-K1012 PolarHBondContact O-N 2.91Å; K1012-L1014 PolarHBondContact O-N 3.16Å; K1012-E1015 WeakPolarHBondContact CD-OE2 3.48Å; K1012-E1015 WeakPolarHBondContact CE-OE2 3.4Å; K1012-E1015 IonicContact NZ-OE1 2.77Å; K1012-E1015 IonicContact NZ-OE2 3.72Å; K1012-E1015 PolarHBondContact NZ-OE2 2.76Å; K1012-E1015 WeakPolarHBondContact O-CB 3.46Å; K1012-E1015 PolarHBondContact O-N 2.71Å; K1012-E1015 VanDerWaalsContact O-N 3.13Å; K1012-I1016 WeakPolarHBondContact O-CG1 3.39Å; K1012-I1016 WeakPolarHBondContact O-CG2 3.41Å; K1012-I1016 PolarHBondContact O-N 3.49Å |
| 1013 | S | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.4 | -44.8 | 172.8 | 179 | 0 | 0 | 0 | 0 | 112.7 | P882 R885 L886 L1009 F1010 N1011 E1015 I1016 E1017 | P882-S1013 WeakPolarHBondContact O-CB 3.47Å; P882-S1013 PolarHBondContact O-OG 2.77Å; R885-S1013 VanDerWaalsContact CD-OG 3.28Å; R885-S1013 WeakPolarHBondContact CD-OG 3.43Å; R885-S1013 WeakPolarHBondContact CG-OG 3.43Å; R885-S1013 PolarHBondContact NH1-O 3.28Å; R885-S1013 PolarHBondContact NH1-OG 3.31Å; L886-S1013 WeakPolarHBondContact CD2-OG 3.37Å; L1009-S1013 PolarHBondContact O-N 2.92Å; F1010-S1013 WeakPolarHBondContact O-CB 3.41Å; F1010-S1013 PolarHBondContact O-N 3.43Å; N1011-S1013 VanDerWaalsContact C-N 3.32Å; N1011-S1013 PolarHBondContact O-N 2.93Å; S1013-E1015 VanDerWaalsContact C-N 3.27Å; S1013-E1015 PolarHBondContact O-N 3.49Å; S1013-I1016 WeakPolarHBondContact O-CG1 3.48Å; S1013-I1016 PolarHBondContact O-N 2.79Å; S1013-E1017 PolarHBondContact O-N 2.91Å |
| 1014 | L | 97.5 | Very high | 96.1 | Very high | 48 Ų | 48 | 69.3 Ų | 69.3 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.9 | -25.5 | 176.4 | -69.9 | 175.1 | 0 | 0 | 0 | 113.3 | F1010 N1011 K1012 P1018 R1019 | F1010-L1014 HydrophobicContact CD1-CD1 3.89Å; F1010-L1014 HydrophobicContact CD1-CG 4.34Å; F1010-L1014 HydrophobicContact CE1-CD1 3.62Å; F1010-L1014 HydrophobicContact CE1-CD2 4.5Å; F1010-L1014 HydrophobicContact CE1-CG 4.1Å; F1010-L1014 HydrophobicContact CZ-CD1 4.44Å; F1010-L1014 WeakPolarHBondContact O-CG 3.26Å; F1010-L1014 PolarHBondContact O-N 2.91Å; N1011-L1014 PolarHBondContact O-N 3.41Å; K1012-L1014 PolarHBondContact O-N 3.16Å; L1014-P1018 VanDerWaalsContact O-CA 3.24Å; L1014-P1018 WeakPolarHBondContact O-CA 3.35Å; L1014-R1019 HydrophobicContact CD2-CG 3.86Å |
| 1015 | E | 97.5 | Very high | 96.1 | Very high | 86 Ų | 86 | 66 Ų | 66 | 40% | 0.402 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -73.2 | -49.7 | 174.4 | -177.6 | 179.8 | -173.9 | 0 | 0 | 110.9 | N1011 K1012 S1013 P1025 F1027 | N1011-E1015 PolarHBondContact O-N 3.19Å; K1012-E1015 WeakPolarHBondContact CD-OE2 3.48Å; K1012-E1015 WeakPolarHBondContact CE-OE2 3.4Å; K1012-E1015 IonicContact NZ-OE1 2.77Å; K1012-E1015 IonicContact NZ-OE2 3.72Å; K1012-E1015 PolarHBondContact NZ-OE2 2.76Å; K1012-E1015 WeakPolarHBondContact O-CB 3.46Å; K1012-E1015 PolarHBondContact O-N 2.71Å; K1012-E1015 VanDerWaalsContact O-N 3.13Å; S1013-E1015 VanDerWaalsContact C-N 3.27Å; S1013-E1015 PolarHBondContact O-N 3.49Å; E1015-P1025 WeakPolarHBondContact O-CG 3.38Å; E1015-F1027 HydrophobicContact CG-CE1 4.4Å; E1015-F1027 HydrophobicContact CG-CZ 4.15Å |
| 1016 | I | 97.6 | Very high | 96 | Very high | 1 Ų | 1 | 77.6 Ų | 77.6 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -76.9 | -33.4 | -174.4 | 69.6 | -172.3 | 0 | 0 | 0 | 113.1 | V840 E843 L886 K1012 S1013 L1024 F1027 | V840-I1016 HydrophobicContact CB-CD1 4.27Å; E843-I1016 HydrophobicContact CB-CG2 3.85Å; E843-I1016 HydrophobicContact CG-CG2 3.81Å; L886-I1016 HydrophobicContact CD1-CD1 4.24Å; L886-I1016 HydrophobicContact CD2-CD1 3.94Å; L886-I1016 HydrophobicContact CD2-CG1 3.93Å; K1012-I1016 WeakPolarHBondContact O-CG1 3.39Å; K1012-I1016 WeakPolarHBondContact O-CG2 3.41Å; K1012-I1016 PolarHBondContact O-N 3.49Å; S1013-I1016 WeakPolarHBondContact O-CG1 3.48Å; S1013-I1016 PolarHBondContact O-N 2.79Å; I1016-L1024 VanDerWaalsContact O-CD1 3.29Å; I1016-L1024 WeakPolarHBondContact O-CD1 3.39Å; I1016-F1027 HydrophobicContact CB-CE2 4.41Å; I1016-F1027 HydrophobicContact CG2-CE2 4.44Å |
| 1017 | E | 97.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 76.4 Ų | 76.4 | 2% | 0.019 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -134.8 | 84.3 | 173.7 | -66.3 | -169.4 | -153.2 | 0 | 0 | 109.8 | R848 R885 L886 D887 H888 T889 S1013 L1024 | R848-E1017 IonicContact CZ-OE1 3.61Å; R848-E1017 IonicContact NE-OE1 3.42Å; R848-E1017 IonicContact NH2-OE1 3.68Å; R848-E1017 PolarHBondContact NH2-OE1 3.38Å; R885-E1017 VanDerWaalsContact CZ-O 3.24Å; R885-E1017 PolarHBondContact NH1-O 3.06Å; R885-E1017 PolarHBondContact NH2-O 3.17Å; L886-E1017 WeakPolarHBondContact CA-OE2 3.29Å; L886-E1017 HydrophobicContact CD2-CB 3.79Å; L886-E1017 HydrophobicContact CD2-CG 3.81Å; D887-E1017 PolarHBondContact N-OE2 3.25Å; H888-E1017 WeakPolarHBondContact CB-OE2 3.43Å; H888-E1017 IonicContact CD2-OE2 3.33Å; H888-E1017 PolarHBondContact CD2-OE2 3.25Å; H888-E1017 IonicContact CG-OE2 3.69Å; H888-E1017 PolarHBondContact N-OE2 3.39Å; T889-E1017 PolarHBondContact N-OE1 2.84Å; T889-E1017 PolarHBondContact OG1-OE1 3.36Å; S1013-E1017 PolarHBondContact O-N 2.91Å; E1017-L1024 HydrophobicContact CB-CD1 4.29Å; E1017-L1024 HydrophobicContact CG-CD1 3.81Å |
| 1018 | P | 96.2 | Very high | 96.1 | Very high | 24 Ų | 24 | 78.2 Ų | 78.2 | 16% | 0.156 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 152.6 | -179.5 | -27.9 | 37.4 | 0 | 0 | 0 | 113.8 | L1014 N1020 K1022 P1025 | L1014-P1018 VanDerWaalsContact O-CA 3.24Å; L1014-P1018 WeakPolarHBondContact O-CA 3.35Å; P1018-N1020 PolarHBondContact O-N 3.24Å; P1018-K1022 HydrophobicContact CB-CB 3.48Å; P1018-K1022 VanDerWaalsContact CB-CB 3.48Å; P1018-K1022 HydrophobicContact CB-CD 3.99Å; P1018-K1022 HydrophobicContact CB-CG 4.38Å; P1018-K1022 HydrophobicContact CG-CB 4.42Å; P1018-P1025 HydrophobicContact CG-CG 4.12Å |
| 1019 | R | 95.3 | Very high | 96 | Very high | 162 Ų | 162 | 79.8 Ų | 79.8 | 61% | 0.611 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 135.3 | 171 | -70.1 | -177.7 | -179.9 | -172.9 | -0.9 | 110.2 | L1014 K1022 | L1014-R1019 HydrophobicContact CD2-CG 3.86Å; R1019-K1022 WeakPolarHBondContact O-CB 3.44Å; R1019-K1022 PolarHBondContact O-N 3.4Å |
| 1020 | N | 92.1 | Very high | 95.8 | Very high | 140 Ų | 140 | 85.4 Ų | 85.4 | 75% | 0.749 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 134.4 | 168.6 | -71.5 | -36.1 | 0 | 0 | 0 | 110 | P1018 | P1018-N1020 PolarHBondContact O-N 3.24Š|
| 1021 | P | 92.4 | Very high | 95.7 | Very high | 131 Ų | 131 | 84 Ų | 84 | 85% | 0.851 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -97.7 | 16.4 | 14.4 | 38.8 | -37.1 | 0 | 0 | 0 | 115.5 | ||
| 1022 | K | 94.3 | Very high | 95.5 | Very high | 146 Ų | 146 | 85.3 Ų | 85.3 | 64% | 0.635 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -65.9 | 134.8 | 179.5 | -71 | -179.6 | 178.8 | -177 | 0 | 110.4 | P1018 R1019 | P1018-K1022 HydrophobicContact CB-CB 3.48Å; P1018-K1022 VanDerWaalsContact CB-CB 3.48Å; P1018-K1022 HydrophobicContact CB-CD 3.99Å; P1018-K1022 HydrophobicContact CB-CG 4.38Å; P1018-K1022 HydrophobicContact CG-CB 4.42Å; R1019-K1022 WeakPolarHBondContact O-CB 3.44Å; R1019-K1022 PolarHBondContact O-N 3.4Å |
| 1023 | P | 92.5 | Very high | 95.4 | Very high | 113 Ų | 113 | 86 Ų | 86 | 73% | 0.734 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 149.1 | -179.1 | 28.7 | -34.8 | 0 | 0 | 0 | 111.6 | P1025 | P1023-P1025 WeakPolarHBondContact O-CD 3.42Š|
| 1024 | L | 95 | Very high | 95.2 | Very high | 70 Ų | 70 | 90.3 Ų | 90.3 | 37% | 0.366 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 118.7 | 177.2 | -173.6 | 66.9 | 0 | 0 | 0 | 110.6 | L845 H888 I1016 E1017 | L845-L1024 HydrophobicContact CD2-CD2 4.23Å; H888-L1024 HydrophobicContact CB-CD2 4.25Å; I1016-L1024 VanDerWaalsContact O-CD1 3.29Å; I1016-L1024 WeakPolarHBondContact O-CD1 3.39Å; E1017-L1024 HydrophobicContact CB-CD1 4.29Å; E1017-L1024 HydrophobicContact CG-CD1 3.81Å |
| 1025 | P | 94.7 | Very high | 95.1 | Very high | 51 Ų | 51 | 90 Ų | 90 | 33% | 0.331 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 157.1 | 177.9 | 6.9 | 5.2 | 0 | 0 | 0 | 111.5 | E1015 P1018 P1023 F1027 | E1015-P1025 WeakPolarHBondContact O-CG 3.38Å; P1018-P1025 HydrophobicContact CG-CG 4.12Å; P1023-P1025 WeakPolarHBondContact O-CD 3.42Å; P1025-F1027 HydrophobicContact CB-CD2 4.31Å; P1025-F1027 HydrophobicContact CB-CE2 3.58Å; P1025-F1027 HydrophobicContact CB-CZ 3.8Å; P1025-F1027 HydrophobicContact CG-CE2 3.57Å; P1025-F1027 HydrophobicContact CG-CZ 3.72Å |
| 1026 | R | 95.5 | Very high | 95 | Very high | 251 Ų | 251 | 94.4 Ų | 94.4 | 95% | 0.947 | 48% | 0.478 | S | S | * | . | trans | -104.7 | 127.5 | 169.5 | -67.7 | -174.9 | -179.1 | 177.3 | 0.1 | 109.2 | ||||
| 1027 | F | 96.8 | Very high | 94.9 | Very high | 36 Ų | 36 | 95.7 Ų | 95.7 | 16% | 0.158 | 49% | 0.487 | C | S | . | . | trans | -111.8 | 149.2 | 179.4 | -62.6 | -91.2 | 0 | 0 | 0 | 111.1 | E843 N844 E1015 I1016 P1025 | E843-F1027 HydrophobicContact CB-CB 3.56Å; E843-F1027 HydrophobicContact CB-CD1 3.64Å; E843-F1027 HydrophobicContact CB-CD2 3.95Å; E843-F1027 HydrophobicContact CB-CE1 4.26Å; E843-F1027 HydrophobicContact CB-CG 3.45Å; E843-F1027 VanDerWaalsContact CB-CG 3.45Å; E843-F1027 HydrophobicContact CG-CD1 4.32Å; E843-F1027 VanDerWaalsContact O-CD2 3.27Å; E843-F1027 WeakPolarHBondContact O-CD2 3.28Å; E843-F1027 WeakPolarHBondContact OE2-CD1 3.19Å; N844-F1027 PolarHBondContact ND2-O 3.16Å; E1015-F1027 HydrophobicContact CG-CE1 4.4Å; E1015-F1027 HydrophobicContact CG-CZ 4.15Å; I1016-F1027 HydrophobicContact CB-CE2 4.41Å; I1016-F1027 HydrophobicContact CG2-CE2 4.44Å; P1025-F1027 HydrophobicContact CB-CD2 4.31Å; P1025-F1027 HydrophobicContact CB-CE2 3.58Å; P1025-F1027 HydrophobicContact CB-CZ 3.8Å; P1025-F1027 HydrophobicContact CG-CE2 3.57Å; P1025-F1027 HydrophobicContact CG-CZ 3.72Å | ||
| 1028 | P | 96.2 | Very high | 94.8 | Very high | 108 Ų | 108 | 98.3 Ų | 98.3 | 70% | 0.701 | 50% | 0.504 | S | S | * | . | trans | -67.3 | 155.4 | 175.8 | 30.3 | -35.4 | 0 | 0 | 0 | 111.5 | ||||
| 1029 | K | 95.8 | Very high | 94.6 | Very high | 117 Ų | 117 | 98.1 Ų | 98.1 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | trans | -67.9 | 135.4 | 173.5 | -73.6 | -167.8 | 177.8 | -175.7 | 0 | 111 | E846 E847 | E846-K1029 WeakPolarHBondContact OE2-CE 3.42Å; E846-K1029 IonicContact OE2-NZ 3.72Å; E846-K1029 PolarHBondContact OE2-NZ 3.34Å; E847-K1029 HydrophobicContact CG-CD 4.46Å; E847-K1029 HydrophobicContact CG-CG 4.17Å; E847-K1029 WeakPolarHBondContact OE1-CA 3.16Å; E847-K1029 WeakPolarHBondContact OE1-CB 3Å; E847-K1029 WeakPolarHBondContact OE2-CA 3.12Å | ||
| 1030 | K | 94.5 | Very high | 94.6 | Very high | 119 Ų | 119 | 91.3 Ų | 91.3 | 52% | 0.517 | 48% | 0.483 | S | S | . | . | trans | -91.4 | -34.8 | 177 | 179.9 | -178 | 178.3 | -179.6 | 0 | 112 | E847 | E847-K1030 VanDerWaalsContact CD-N 3.31Å; E847-K1030 PolarHBondContact OE1-N 3.29Å; E847-K1030 VanDerWaalsContact OE1-N 3.08Å; E847-K1030 PolarHBondContact OE2-N 2.98Å | ||
| 1031 | Y | 95.4 | Very high | 94.6 | Very high | 26 Ų | 26 | 94.8 Ų | 94.8 | 10% | 0.102 | 49% | 0.486 | C | S | . | . | trans | -95 | 125.5 | -171.5 | -58.6 | -62.6 | 0 | 0 | 0 | 111.5 | L777 T842 E847 V851 Y1033 L1035 | L777-Y1031 HydrophobicContact CD1-CD2 3.82Å; L777-Y1031 HydrophobicContact CD1-CE2 3.68Å; L777-Y1031 HydrophobicContact CD1-CG 4.35Å; T842-Y1031 HydrophobicContact CG2-CE2 4.05Å; T842-Y1031 PolarHBondContact OG1-OH 3.33Å; E847-Y1031 HydrophobicContact CB-CD2 4.11Å; E847-Y1031 HydrophobicContact CB-CE2 4.43Å; E847-Y1031 HydrophobicContact CG-CD2 4.12Å; E847-Y1031 WeakPolarHBondContact OE1-CB 3.23Å; E847-Y1031 PolarHBondContact OE1-N 3.45Å; V851-Y1031 HydrophobicContact CG2-CE2 4.23Å; Y1031-Y1033 AromaticContact CD1-CE1 3.77Å; Y1031-Y1033 HydrophobicContact CD1-CE1 3.77Å; Y1031-Y1033 HydrophobicContact CD1-CE2 4.12Å; Y1031-Y1033 AromaticContact CD1-CZ 3.36Å; Y1031-Y1033 WeakPolarHBondContact CD1-OH 3.31Å; Y1031-Y1033 WeakPolarHBondContact CE1-OH 3.34Å; Y1031-Y1033 HydrophobicContact CG-CE1 4.39Å; Y1031-Y1033 HydrophobicContact CG-CE2 4.13Å; Y1031-Y1033 AromaticContact CG-CZ 3.84Å; Y1031-L1035 HydrophobicContact CD2-CD2 4.07Å; Y1031-L1035 HydrophobicContact CG-CD2 4.41Å | ||
| 1032 | S | 93.6 | Very high | 94.4 | Very high | 126 Ų | 126 | 92.2 Ų | 92.2 | 88% | 0.881 | 47% | 0.469 | S | S | * | . | trans | -89.1 | -2 | 179.2 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1033 | Y | 94.4 | Very high | 93.9 | Very high | 48 Ų | 48 | 88.3 Ų | 88.3 | 19% | 0.188 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -108.3 | 165.2 | -176.9 | 52.8 | -107.9 | 0 | 0 | 0 | 112.3 | I765 D775 L777 T778 Y1031 L1035 | I765-Y1033 HydrophobicContact CD1-CD2 3.86Å; I765-Y1033 HydrophobicContact CD1-CG 4.3Å; D775-Y1033 PolarHBondContact OD2-OH 3.12Å; L777-Y1033 HydrophobicContact CB-CE2 3.66Å; L777-Y1033 HydrophobicContact CD1-CE2 4.2Å; T778-Y1033 HydrophobicContact CG2-CD1 4.02Å; T778-Y1033 HydrophobicContact CG2-CD2 4.34Å; T778-Y1033 HydrophobicContact CG2-CE1 3.55Å; T778-Y1033 HydrophobicContact CG2-CE2 3.94Å; T778-Y1033 HydrophobicContact CG2-CG 4.37Å; T778-Y1033 VanDerWaalsContact CG2-CZ 3.49Å; Y1031-Y1033 AromaticContact CD1-CE1 3.77Å; Y1031-Y1033 HydrophobicContact CD1-CE1 3.77Å; Y1031-Y1033 HydrophobicContact CD1-CE2 4.12Å; Y1031-Y1033 AromaticContact CD1-CZ 3.36Å; Y1031-Y1033 WeakPolarHBondContact CD1-OH 3.31Å; Y1031-Y1033 WeakPolarHBondContact CE1-OH 3.34Å; Y1031-Y1033 HydrophobicContact CG-CE1 4.39Å; Y1031-Y1033 HydrophobicContact CG-CE2 4.13Å; Y1031-Y1033 AromaticContact CG-CZ 3.84Å; Y1033-L1035 PolarHBondContact O-N 3.4Å |
| 1034 | P | 95 | Very high | 93 | Very high | 89 Ų | 89 | 90.4 Ų | 90.4 | 58% | 0.578 | 47% | 0.465 | S | S | * | . | trans | -62.3 | 127.3 | -179.3 | -22.4 | 34.2 | 0 | 0 | 0 | 112.6 | I765 K1036 | I765-P1034 WeakPolarHBondContact CD1-O 3.36Å; P1034-K1036 VanDerWaalsContact C-N 3.28Å; P1034-K1036 PolarHBondContact O-N 3.44Å | ||
| 1035 | L | 95.4 | Very high | 91.5 | Very high | 42 Ų | 42 | 91.5 Ų | 91.5 | 22% | 0.22 | 48% | 0.476 | C | S | . | . | trans | -77.5 | -13.7 | 178.6 | -57 | 174.1 | 0 | 0 | 0 | 113.5 | L777 E847 A850 R854 Y1031 Y1033 S1037 | L777-L1035 HydrophobicContact CD1-CD2 4.05Å; E847-L1035 HydrophobicContact CB-CD1 4.48Å; E847-L1035 HydrophobicContact CG-CD1 3.75Å; E847-L1035 HydrophobicContact CG-CD2 4.14Å; A850-L1035 HydrophobicContact CB-CB 4.05Å; R854-L1035 PolarHBondContact NH2-O 3.29Å; Y1031-L1035 HydrophobicContact CD2-CD2 4.07Å; Y1031-L1035 HydrophobicContact CG-CD2 4.41Å; Y1033-L1035 PolarHBondContact O-N 3.4Å; L1035-S1037 PolarHBondContact O-N 3.47Å | ||
| 1036 | K | 95.3 | Very high | 89.4 | Confident | 178 Ų | 178 | 99.9 Ų | 99.9 | 77% | 0.774 | 50% | 0.501 | S | S | * | . | trans | -66.4 | 122.2 | -174 | -175.8 | 172.8 | -178.8 | 172.5 | 0 | 110.7 | P1034 | P1034-K1036 VanDerWaalsContact C-N 3.28Å; P1034-K1036 PolarHBondContact O-N 3.44Å | ||
| 1037 | S | 94.9 | Very high | 86.8 | Confident | 29 Ų | 29 | 94.1 Ų | 94.1 | 20% | 0.203 | 50% | 0.496 | C | S | . | . | trans | -62.4 | 142 | 175.3 | -176.1 | 0 | 0 | 0 | 0 | 112.3 | R854 E857 L1035 G1039 | R854-S1037 PolarHBondContact NE-OG 2.82Å; E857-S1037 VanDerWaalsContact CD-OG 3.29Å; E857-S1037 PolarHBondContact OE1-OG 3.29Å; E857-S1037 WeakPolarHBondContact OE2-CB 3.24Å; E857-S1037 PolarHBondContact OE2-OG 2.78Å; L1035-S1037 PolarHBondContact O-N 3.47Å; S1037-G1039 PolarHBondContact O-N 3.02Å; S1037-G1039 PolarHBondContact OG-N 3.49Å | ||
| 1038 | P | 94.7 | Very high | 83.9 | Confident | 58 Ų | 58 | 96.2 Ų | 96.2 | 38% | 0.377 | 53% | 0.529 | S | S | . | . | trans | -70.4 | -13 | 167 | 33.8 | -37 | 0 | 0 | 0 | 112.1 | H764 H780 P781 | H764-P1038 HydrophobicContact CB-CG 4.45Å; H780-P1038 VanDerWaalsContact CD2-CG 3.44Å; H780-P1038 WeakPolarHBondContact CD2-CG 3.14Å; H780-P1038 WeakPolarHBondContact NE2-CB 3.38Å; H780-P1038 WeakPolarHBondContact NE2-CG 3.39Å; P781-P1038 VanDerWaalsContact CD-CG 3.47Å; P781-P1038 HydrophobicContact CG-CG 4.06Å | ||
| 1039 | G | 93 | Very high | 81 | Confident | 20 Ų | 20 | 98 Ų | 98 | 21% | 0.206 | 54% | 0.537 | C | S | . | . | trans | 86.7 | 176.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | H780 P781 S1037 | H780-G1039 PolarHBondContact CE1-O 3.01Å; P781-G1039 WeakPolarHBondContact CG-O 3.33Å; S1037-G1039 PolarHBondContact O-N 3.02Å; S1037-G1039 PolarHBondContact OG-N 3.49Å | ||
| 1040 | V | 94.2 | Very high | 78.2 | Confident | 20 Ų | 20 | 100.9 Ų | 100.9 | 12% | 0.121 | 56% | 0.555 | C | S | . | * | S | Bend | trans | -108.7 | 17.2 | -173.9 | -62.7 | 0 | 0 | 0 | 0 | 113.7 | P781 I782 E857 V861 | P781-V1040 HydrophobicContact CB-CG1 4.37Å; P781-V1040 HydrophobicContact CG-CG1 4.4Å; I782-V1040 VanDerWaalsContact CD1-C 3.44Å; I782-V1040 HydrophobicContact CG1-CB 4.41Å; E857-V1040 HydrophobicContact CB-CG1 3.55Å; E857-V1040 HydrophobicContact CG-CG1 3.96Å; E857-V1040 WeakPolarHBondContact O-CG1 3.5Å; V861-V1040 HydrophobicContact CG2-CB 3.84Å; V861-V1040 HydrophobicContact CG2-CG1 3.83Å |
| 1041 | R | 92 | Very high | 75.1 | Confident | 213 Ų | 213 | 106 Ų | 106 | 80% | 0.804 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -95 | 125.3 | 174 | -68.1 | -173.1 | 179.3 | -175.8 | 0.3 | 109.5 | ||
| 1042 | P | 88.9 | Confident | 72.3 | Confident | 77 Ų | 77 | 113.6 Ų | 113.6 | 50% | 0.5 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 146.5 | 179.3 | 26.7 | -33.5 | 0 | 0 | 0 | 111.4 | I782 | I782-P1042 HydrophobicContact CD1-CB 4.39Š|
| 1043 | S | 83.9 | Confident | 69.4 | Low | 64 Ų | 64 | 112.8 Ų | 112.8 | 45% | 0.448 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -83.6 | 133.8 | 175.7 | -55.9 | 0 | 0 | 0 | 0 | 109.6 | E762 P1045 | E762-S1043 PolarHBondContact OE1-N 3.08Å; E762-S1043 WeakPolarHBondContact OE2-CB 3.21Å; E762-S1043 PolarHBondContact OE2-OG 3.19Å; S1043-P1045 VanDerWaalsContact C-CD 3.48Å; S1043-P1045 WeakPolarHBondContact O-CD 3.45Å |
| 1044 | N | 74.8 | Confident | 66.7 | Low | 157 Ų | 157 | 117.3 Ų | 117.3 | 84% | 0.84 | 63% | 0.632 | S | S | * | * | trans | -106.1 | 86.8 | 167.9 | -88.9 | -11 | 0 | 0 | 0 | 109.6 | R1046 | N1044-R1046 PolarHBondContact O-N 3.36Š| ||
| 1045 | P | 62.2 | Low | 63.9 | Low | 92 Ų | 92 | 118.1 Ų | 118.1 | 60% | 0.597 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 116.8 | 173.6 | 26.3 | -30.8 | 0 | 0 | 0 | 109.8 | T760 S1043 | T760-P1045 HydrophobicContact CG2-CG 4.41Å; S1043-P1045 VanDerWaalsContact C-CD 3.48Å; S1043-P1045 WeakPolarHBondContact O-CD 3.45Å |
| 1046 | R | 50.1 | Low | 60.9 | Low | 227 Ų | 227 | 123.7 Ų | 123.7 | 86% | 0.857 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 143.7 | 167.2 | -71.5 | -175.3 | 179.2 | -175.8 | 1.2 | 109.4 | N1044 G1048 | N1044-R1046 PolarHBondContact O-N 3.36Å; R1046-G1048 PolarHBondContact O-N 3.48Å |
| 1047 | P | 40.9 | Very low | 58.2 | Low | 130 Ų | 130 | 123.7 Ų | 123.7 | 84% | 0.844 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -62 | 121.3 | 167.5 | -13.8 | 27.5 | 0 | 0 | 0 | 109.1 | ||
| 1048 | G | 36.1 | Very low | 55.3 | Low | 81 Ų | 81 | 131 Ų | 131 | 84% | 0.835 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 129.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1046 | R1046-G1048 PolarHBondContact O-N 3.48Š|
| 1049 | T | 36.6 | Very low | 52.4 | Low | 144 Ų | 144 | 137.3 Ų | 137.3 | 88% | 0.883 | 72% | 0.724 | S | S | * | * | trans | -106.1 | 139.2 | 154.9 | -32.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1050 | M | 35.5 | Very low | 49.4 | Very low | 178 Ų | 178 | 141.9 Ų | 141.9 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | trans | -56.4 | 150.3 | -172.1 | -70.5 | -98.3 | -80.2 | 0 | 0 | 115.2 | ||||
| 1051 | R | 31 | Very low | 46.4 | Very low | 226 Ų | 226 | 152 Ų | 152 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -23.4 | 130.8 | 169.2 | -64.9 | 172.6 | 174.6 | 177 | -2.1 | 116 | ||||
| 1052 | H | 35.8 | Very low | 43.7 | Very low | 186 Ų | 186 | 152 Ų | 152 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | -168.3 | 143.3 | 124.2 | -100.2 | -70.6 | 0 | 0 | 0 | 110.5 | |||||
| 1053 | P | 33.4 | Very low | 40.9 | Very low | 109 Ų | 109 | 154.6 Ų | 154.6 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | trans | -97.5 | 126.9 | -177.4 | 34.5 | -25.5 | 0 | 0 | 0 | 111.3 | ||||
| 1054 | T | 38 | Very low | 38.3 | Very low | 143 Ų | 143 | 156 Ų | 156 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -161 | 148.4 | 153 | 18.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1055 | P | 34.4 | Very low | 36.4 | Very low | 107 Ų | 107 | 157.2 Ų | 157.2 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | trans | -107.9 | 161.6 | -159 | 34.1 | -19.3 | 0 | 0 | 0 | 114.4 | ||||
| 1056 | L | 33.5 | Very low | 34.9 | Very low | 159 Ų | 159 | 157.5 Ų | 157.5 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | 73.7 | 109.3 | 156.2 | -66.5 | 155.8 | 0 | 0 | 0 | 119.1 | ||||
| 1057 | Q | 38.8 | Very low | 34 | Very low | 177 Ų | 177 | 156 Ų | 156 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | 170.9 | 105.6 | 119.7 | -92 | 168.5 | -0.2 | 0 | 0 | 109.3 | |||||
| 1058 | Q | 33.7 | Very low | 33.5 | Very low | 184 Ų | 184 | 156.8 Ų | 156.8 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | 69.7 | 98.3 | 110.7 | -75.4 | -178.2 | -2 | 0 | 0 | 115.4 | |||||
| 1059 | E | 32.8 | Very low | 33.5 | Very low | 189 Ų | 189 | 158.1 Ų | 158.1 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | -178.9 | 156.9 | 121.2 | -100 | -162.5 | 154.6 | 0 | 0 | 112.1 | |||||
| 1060 | P | 31.5 | Very low | 33.1 | Very low | 116 Ų | 116 | 160.2 Ų | 160.2 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -94.7 | 133.7 | -139.9 | 35.4 | -33.5 | 0 | 0 | 0 | 113.5 | ||||
| 1061 | R | 30.9 | Very low | 33 | Very low | 232 Ų | 232 | 157.4 Ų | 157.4 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | trans | -111.2 | 126 | 160.7 | -78 | -171.3 | 179.4 | 174.6 | 1 | 110.4 | I1063 | R1061-I1063 PolarHBondContact O-N 2.89Š| ||
| 1062 | K | 35.5 | Very low | 32.9 | Very low | 214 Ų | 214 | 155.5 Ų | 155.5 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | -51.1 | 114.1 | 179.8 | -67.5 | 177.2 | 176.5 | 180 | 0 | 111.5 | ||||
| 1063 | I | 30.8 | Very low | 32.9 | Very low | 132 Ų | 132 | 153.1 Ų | 153.1 | 68% | 0.677 | 79% | 0.789 | S | S | * | * | trans | -65.7 | 122.7 | 156.5 | -70.2 | 167.2 | 0 | 0 | 0 | 106.4 | R1061 Y1065 | R1061-I1063 PolarHBondContact O-N 2.89Å; I1063-Y1065 HydrophobicContact CG2-CD2 3.96Å; I1063-Y1065 HydrophobicContact CG2-CE2 3.23Å | ||
| 1064 | S | 28.5 | Very low | 32.7 | Very low | 93 Ų | 93 | 156.5 Ų | 156.5 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | 93.6 | 166.5 | 78.6 | -156.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1065 | Y | 34.1 | Very low | 32.4 | Very low | 183 Ų | 183 | 155.1 Ų | 155.1 | 72% | 0.718 | 79% | 0.792 | S | S | * | * | trans | 97.1 | 102.3 | 163.5 | -52.7 | -67 | 0 | 0 | 0 | 115.8 | I1063 | I1063-Y1065 HydrophobicContact CG2-CD2 3.96Å; I1063-Y1065 HydrophobicContact CG2-CE2 3.23Å | ||
| 1066 | S | 31.2 | Very low | 32.2 | Very low | 97 Ų | 97 | 156.5 Ų | 156.5 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | 82 | 112.9 | 62.3 | 73.8 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1067 | R | 30.6 | Very low | 32.2 | Very low | 196 Ų | 196 | 153.1 Ų | 153.1 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | 27.4 | 133.2 | 129.7 | -105.5 | -172.6 | -137.9 | -162.2 | 0.5 | 119.7 | |||||
| 1068 | I | 31.3 | Very low | 32 | Very low | 146 Ų | 146 | 150.5 Ų | 150.5 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | 91 | 142.2 | 144.5 | -59.5 | 157.7 | 0 | 0 | 0 | 115.6 | ||||
| 1069 | P | 35.3 | Very low | 31.9 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | cis | -139.6 | -173.2 | -31.8 | 38.5 | -18 | 0 | 0 | 0 | 113.8 | ||||
| 1070 | E | 29.5 | Very low | 32 | Very low | 189 Ų | 189 | 142.2 Ų | 142.2 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -46.7 | 138.5 | 165.8 | -61.3 | 169.8 | 157.8 | 0 | 0 | 114.7 | ||||
| 1071 | S | 32.7 | Very low | 32.2 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -171 | 134.1 | 139.3 | 37.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1072 | E | 29.6 | Very low | 32.2 | Very low | 185 Ų | 185 | 138.5 Ų | 138.5 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -63.2 | 144.6 | 173.8 | -57.1 | 172.8 | 144 | 0 | 0 | 111.3 | ||||
| 1073 | T | 34.5 | Very low | 32.4 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | -178.3 | 125.7 | 127 | 20.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 1074 | E | 29.2 | Very low | 32.7 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -5.1 | 135.9 | 153.2 | -60.1 | 174.2 | 143.3 | 0 | 0 | 118.8 | ||||
| 1075 | S | 32.6 | Very low | 33 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | -177.4 | 92.9 | 129.4 | -75.2 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1076 | T | 30.1 | Very low | 33.1 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | 23.2 | 119.4 | 130.4 | 52.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1077 | A | 33.8 | Very low | 33.3 | Very low | 89 Ų | 89 | 140.1 Ų | 140.1 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | 174.9 | 99.1 | 118.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1078 | S | 33.2 | Very low | 33.5 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | 88.3 | 97.3 | 99.2 | -55.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1079 | A | 32.1 | Very low | 33.9 | Very low | 92 Ų | 92 | 135.5 Ų | 135.5 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -62.4 | 165.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1080 | P | 36 | Very low | 34.3 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | -159.1 | 164.6 | 74.6 | 41.8 | -19.8 | 0 | 0 | 0 | 118.4 | |||||
| 1081 | N | 35.2 | Very low | 34.6 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | 73.7 | 119.2 | 143.3 | -59.7 | -14.8 | 0 | 0 | 0 | 123 | ||||
| 1082 | S | 31.2 | Very low | 34.6 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -63 | -173.9 | 154.2 | -38.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1083 | P | 39.3 | Very low | 35 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | cis | -136.3 | 179 | -10.3 | 35.3 | -14.6 | 0 | 0 | 0 | 114.9 | ||||
| 1084 | R | 36.2 | Very low | 34.8 | Very low | 233 Ų | 233 | 127 Ų | 127 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | 123.3 | 104.1 | 157.3 | -74.5 | -179.4 | 162.7 | 170.9 | -4.2 | 117.1 | ||||
| 1085 | T | 34.5 | Very low | 35 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | 29.9 | 157.9 | 125.2 | 53.8 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1086 | P | 37 | Very low | 34.8 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | -139.5 | 133.7 | -70.1 | 33.1 | -11.2 | 0 | 0 | 0 | 113 | |||||
| 1087 | L | 35.5 | Very low | 34.8 | Very low | 167 Ų | 167 | 122.6 Ų | 122.6 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -145 | 112.5 | 173.2 | -79.9 | 172.2 | 0 | 0 | 0 | 114 | ||||
| 1088 | T | 35.4 | Very low | 34.7 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 77% | 0.767 | 81% | 0.805 | S | S | * | * | trans | 46.5 | 122.8 | 143.1 | 36.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1089 | P | 38.9 | Very low | 34.4 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 161.8 | 147.6 | 10.4 | 10.3 | 0 | 0 | 0 | 112.2 | ||
| 1090 | P | 43.3 | Very low | 34.3 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 168.8 | -160.7 | 33.7 | -29.4 | 0 | 0 | 0 | 114.7 | ||
| 1091 | P | 37.2 | Very low | 34.1 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 166 | -166.7 | 35.1 | -34.4 | 0 | 0 | 0 | 115.5 | ||
| 1092 | A | 31.9 | Very low | 33.6 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -76 | 159.8 | -166.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 1093 | S | 37.8 | Very low | 33.4 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | -168 | 127 | 149.6 | -67.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1094 | G | 31.1 | Very low | 32.9 | Very low | 79 Ų | 79 | 127.7 Ų | 127.7 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | cis | 164.3 | 116.1 | 1.2 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 1095 | A | 32.9 | Very low | 32.5 | Very low | 106 Ų | 106 | 124 Ų | 124 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | -166.5 | 129.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1096 | S | 28.3 | Very low | 32.2 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -76.5 | 131 | -168.6 | -176.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1097 | S | 30.1 | Very low | 31.8 | Very low | 112 Ų | 112 | 125 Ų | 125 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -154.3 | 121.5 | 147.6 | 57.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1098 | T | 31.5 | Very low | 31.6 | Very low | 124 Ų | 124 | 124.5 Ų | 124.5 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | trans | -69.3 | 131.6 | 177.3 | 42.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1099 | T | 28.2 | Very low | 31.4 | Very low | 141 Ų | 141 | 127 Ų | 127 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | trans | -90.4 | 101.6 | 174 | 21.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1100 | D | 30 | Very low | 30.9 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | trans | -90.3 | 143.4 | 171.8 | -100.3 | -34.3 | 0 | 0 | 0 | 111.5 | ||||
| 1101 | V | 31.3 | Very low | 30.4 | Very low | 133 Ų | 133 | 126.6 Ų | 126.6 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | trans | -77.4 | 144.2 | -168.2 | -164.6 | 0 | 0 | 0 | 0 | 110 | S1103 | V1101-S1103 PolarHBondContact O-N 2.69Š| ||
| 1102 | C | 25.2 | Very low | 30.1 | Very low | 119 Ų | 119 | 126 Ų | 126 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -33.9 | 110.9 | -176.9 | -64.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1103 | S | 26.7 | Very low | 29.8 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | trans | -105.7 | 127.6 | 150.7 | 73.4 | 0 | 0 | 0 | 0 | 109.1 | V1101 | V1101-S1103 PolarHBondContact O-N 2.69Š| ||
| 1104 | V | 28 | Very low | 29.4 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -102.6 | 135.5 | 162 | -175.1 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 1105 | F | 27.5 | Very low | 29.3 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | trans | 83.3 | 85.1 | -157 | -51.8 | -70.7 | 0 | 0 | 0 | 114 | ||||
| 1106 | D | 29.3 | Very low | 29.1 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | -175.1 | 121.4 | 112.6 | -94.3 | -26.2 | 0 | 0 | 0 | 111.1 | |||||
| 1107 | S | 28.7 | Very low | 29.1 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -78.9 | 121.3 | 155.8 | -48.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1108 | D | 29.6 | Very low | 29.1 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | 172.4 | 151.8 | 118.8 | -90.4 | -20.3 | 0 | 0 | 0 | 114.6 | |||||
| 1109 | H | 33 | Very low | 29.1 | Very low | 179 Ų | 179 | 136.9 Ų | 136.9 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -67.6 | 146.9 | -172 | -70.2 | -89.3 | 0 | 0 | 0 | 114.7 | ||||
| 1110 | S | 28.5 | Very low | 29.3 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -58.8 | 131.5 | 167.3 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1111 | S | 31.7 | Very low | 29.2 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | -172.5 | 152.6 | 125.4 | 54.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1112 | P | 31.8 | Very low | 29.2 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -94.4 | 153.3 | -155.2 | 35.7 | -32 | 0 | 0 | 0 | 115.1 | ||||
| 1113 | F | 25.8 | Very low | 29.3 | Very low | 202 Ų | 202 | 140.5 Ų | 140.5 | 89% | 0.886 | 78% | 0.779 | S | S | * | * | trans | -32.1 | 130.7 | 170.1 | -75.3 | -95.7 | 0 | 0 | 0 | 116.4 | ||||
| 1114 | H | 29.1 | Very low | 29.5 | Very low | 184 Ų | 184 | 142.5 Ų | 142.5 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | -168.2 | 124.7 | 122.1 | -98.9 | -64.1 | 0 | 0 | 0 | 113.1 | |||||
| 1115 | S | 28.3 | Very low | 29.5 | Very low | 101 Ų | 101 | 142 Ų | 142 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | 67.7 | 115.9 | 143.8 | 67.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1116 | S | 29.3 | Very low | 29.9 | Very low | 109 Ų | 109 | 142 Ų | 142 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | 94.1 | 106.6 | 125.2 | -58.4 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1117 | N | 27.7 | Very low | 30.1 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | 69.2 | 143.6 | 127.8 | -82.6 | 12.2 | 0 | 0 | 0 | 124.8 | |||||
| 1118 | D | 30.8 | Very low | 30.3 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | 90.7 | 94 | 157.6 | -57.9 | -17.6 | 0 | 0 | 0 | 118 | ||||
| 1119 | T | 30.6 | Very low | 30.4 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | 53.5 | 126.5 | 93.8 | 57.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1120 | V | 32 | Very low | 30.5 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | -164.9 | 138.7 | 80.7 | 159.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1121 | F | 28 | Very low | 30.6 | Very low | 171 Ų | 171 | 143.6 Ų | 143.6 | 75% | 0.75 | 79% | 0.794 | S | S | * | * | trans | -69 | 159.5 | 171.8 | -84.2 | -101.4 | 0 | 0 | 0 | 114.6 | Q1123 | F1121-Q1123 HydrophobicContact CD1-CG 4.5Š| ||
| 1122 | I | 31.5 | Very low | 30.6 | Very low | 168 Ų | 168 | 143.5 Ų | 143.5 | 86% | 0.862 | 79% | 0.794 | S | S | * | * | -147.9 | 130.2 | 123.4 | -64 | -164.5 | 0 | 0 | 0 | 111 | |||||
| 1123 | Q | 27.7 | Very low | 30.5 | Very low | 146 Ų | 146 | 141.9 Ų | 141.9 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | trans | -84.9 | 154 | 172.3 | -68.4 | 168.1 | -79.6 | 0 | 0 | 112.6 | F1121 | F1121-Q1123 HydrophobicContact CD1-CG 4.5Š| ||
| 1124 | V | 29.7 | Very low | 30.7 | Very low | 146 Ų | 146 | 137.4 Ų | 137.4 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -141 | 133.1 | 138.8 | -177.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1125 | T | 29.9 | Very low | 30.8 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | trans | -86.5 | 150.2 | -172.2 | 28.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1126 | L | 34.1 | Very low | 30.9 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -61.5 | 167.8 | 164.9 | -80.7 | 139.1 | 0 | 0 | 0 | 113.9 | ||||
| 1127 | P | 35.2 | Very low | 31 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | -143.7 | 169 | 117.3 | 33 | -14.3 | 0 | 0 | 0 | 116.4 | |||||
| 1128 | H | 32 | Very low | 31.2 | Very low | 190 Ų | 190 | 134.1 Ų | 134.1 | 88% | 0.88 | 78% | 0.775 | S | S | * | * | trans | -73.4 | 163.1 | -166.2 | -59.6 | -9.8 | 0 | 0 | 0 | 117.9 | ||||
| 1129 | G | 31.4 | Very low | 31.2 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | trans | 167.1 | 143.6 | 145.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1130 | P | 36.4 | Very low | 31.1 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -121.7 | 163.4 | -149 | 38.6 | -22.7 | 0 | 0 | 0 | 117.7 | ||||
| 1131 | R | 29.7 | Very low | 31.1 | Very low | 236 Ų | 236 | 133.4 Ų | 133.4 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | trans | 62.1 | 131 | 144.2 | -74.5 | 179.3 | 177 | -175.2 | -1.5 | 122.4 | ||||
| 1132 | S | 31 | Very low | 31.4 | Very low | 116 Ų | 116 | 135 Ų | 135 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | 107.6 | 125.9 | 132.5 | -74.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1133 | A | 31.3 | Very low | 31.3 | Very low | 86 Ų | 86 | 130.4 Ų | 130.4 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | 90.1 | 107.6 | 132.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1134 | S | 29.6 | Very low | 31.8 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | 90.7 | 117.8 | 114.3 | -60 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1135 | V | 30.4 | Very low | 32 | Very low | 123 Ų | 123 | 131 Ų | 131 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | 79.9 | 115.9 | 125.7 | -178.3 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 1136 | S | 30.2 | Very low | 32.4 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | 39.5 | 141.2 | 135.5 | -41 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1137 | S | 31.3 | Very low | 32.5 | Very low | 96 Ų | 96 | 133.5 Ų | 133.5 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | cis | 177 | 149.8 | 48.7 | -18.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1138 | I | 32.2 | Very low | 32.8 | Very low | 152 Ų | 152 | 133.5 Ų | 133.5 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | 73.1 | 116.2 | 132.7 | -58.4 | 163.6 | 0 | 0 | 0 | 121.7 | ||||
| 1139 | S | 30.4 | Very low | 33.2 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | trans | 88.5 | 123.1 | 134.3 | 72.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1140 | L | 29.4 | Very low | 33.9 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | 49.5 | 115.8 | 131.1 | -81.4 | 90.1 | 0 | 0 | 0 | 120.2 | ||||
| 1141 | T | 32.5 | Very low | 34.4 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | 165 | 137.5 | 95.9 | 40.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1142 | K | 32.9 | Very low | 34.8 | Very low | 206 Ų | 206 | 127 Ų | 127 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | trans | 56.8 | 124.9 | 142.8 | -77.2 | -178.8 | 172 | 178.6 | 0 | 123 | ||||
| 1143 | G | 31.1 | Very low | 35.3 | Very low | 70 Ų | 70 | 127.9 Ų | 127.9 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | 74.4 | 130.7 | 144.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1144 | T | 38 | Very low | 35.8 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | cis | -168.1 | 156.9 | 42.1 | 29 | 0 | 0 | 0 | 0 | 109 | ||||
| 1145 | D | 33.6 | Very low | 36.3 | Very low | 162 Ų | 162 | 129.9 Ų | 129.9 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | -38.1 | 132.1 | 171.8 | -68.7 | -61.8 | 0 | 0 | 0 | 115 | ||||
| 1146 | E | 37 | Very low | 36.4 | Very low | 193 Ų | 193 | 135.8 Ų | 135.8 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -167 | 133.6 | 134.6 | -111.5 | -179.6 | 179.1 | 0 | 0 | 111.9 | ||||
| 1147 | V | 38.1 | Very low | 36.6 | Very low | 131 Ų | 131 | 142.7 Ų | 142.7 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -80.1 | 136.6 | -175.4 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1148 | P | 40.1 | Very low | 36.7 | Very low | 123 Ų | 123 | 149.8 Ų | 149.8 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -112.6 | 122.8 | 157.4 | 13.2 | 7.5 | 0 | 0 | 0 | 112.1 | ||||
| 1149 | V | 41.2 | Very low | 37 | Very low | 125 Ų | 125 | 147.9 Ų | 147.9 | 76% | 0.758 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -58 | 142.2 | 176.2 | 175.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1150 | P | 45.5 | Very low | 37.3 | Very low | 111 Ų | 111 | 153 Ų | 153 | 72% | 0.721 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 149.7 | 173.9 | 31.7 | -32.1 | 0 | 0 | 0 | 112.6 | ||
| 1151 | P | 46.2 | Very low | 37.7 | Very low | 118 Ų | 118 | 150.9 Ų | 150.9 | 77% | 0.766 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 158 | -174.5 | 30.1 | -34.1 | 0 | 0 | 0 | 113.4 | ||
| 1152 | P | 39.6 | Very low | 37.8 | Very low | 127 Ų | 127 | 149.6 Ų | 149.6 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 142 | -163.5 | 33.5 | -33.8 | 0 | 0 | 0 | 113.8 | ||
| 1153 | V | 40.2 | Very low | 38.1 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 138.5 | 175.3 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1154 | P | 43.3 | Very low | 38.4 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 153.4 | 176.1 | -15.4 | 29.4 | 0 | 0 | 0 | 113.6 | ||
| 1155 | P | 40.1 | Very low | 38.3 | Very low | 125 Ų | 125 | 148.4 Ų | 148.4 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -82 | 134.5 | -161.9 | 31.3 | -33.5 | 0 | 0 | 0 | 114.6 | ||
| 1156 | R | 31.4 | Very low | 38.5 | Very low | 248 Ų | 248 | 146.3 Ų | 146.3 | 94% | 0.936 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 127.8 | 162.2 | -90 | 176.6 | 170.8 | 162.2 | -1.7 | 110.7 | ||
| 1157 | R | 34.8 | Very low | 38.4 | Very low | 246 Ų | 246 | 142.5 Ų | 142.5 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 138.9 | 156.9 | -75.3 | -167.9 | 177.2 | -166.6 | 0.8 | 110.2 | ||
| 1158 | R | 33.6 | Very low | 38.6 | Very low | 244 Ų | 244 | 141.7 Ų | 141.7 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -116.9 | 169.5 | 176.9 | -110 | -153.9 | -162.6 | 165 | 6.8 | 109.9 | ||||
| 1159 | P | 38.3 | Very low | 38.5 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -112.9 | 162.1 | -131.2 | 41.2 | -32 | 0 | 0 | 0 | 114.9 | ||||
| 1160 | E | 36.7 | Very low | 37.9 | Very low | 201 Ų | 201 | 145 Ų | 145 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | trans | -138.6 | 160.8 | 164.4 | -84.5 | -175.3 | 160.7 | 0 | 0 | 111 | ||||
| 1161 | S | 37.1 | Very low | 37.4 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | trans | -111.1 | 143.9 | -146.3 | 38.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1162 | A | 34.3 | Very low | 36.8 | Very low | 97 Ų | 97 | 151.5 Ų | 151.5 | 80% | 0.802 | 83% | 0.833 | S | S | * | * | trans | 64.6 | 167.1 | 146.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1163 | P | 40.9 | Very low | 36.3 | Very low | 121 Ų | 121 | 151 Ų | 151 | 79% | 0.786 | 83% | 0.832 | S | S | * | * | cis | -132.9 | 175.2 | -22.3 | 30.6 | -8.6 | 0 | 0 | 0 | 116 | ||||
| 1164 | A | 35.9 | Very low | 36.1 | Very low | 93 Ų | 93 | 154.4 Ų | 154.4 | 77% | 0.769 | 84% | 0.836 | S | S | * | * | trans | 37.7 | 134.2 | 152.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1165 | E | 36.7 | Very low | 35.4 | Very low | 180 Ų | 180 | 156.7 Ų | 156.7 | 84% | 0.841 | 84% | 0.837 | S | S | * | * | -172.5 | 154.9 | 66.9 | -78.2 | -173.7 | 155.4 | 0 | 0 | 112.7 | |||||
| 1166 | S | 37.5 | Very low | 35.1 | Very low | 119 Ų | 119 | 159 Ų | 159 | 83% | 0.832 | 84% | 0.841 | S | S | * | * | trans | 83.4 | 119.7 | 148.2 | 72.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1167 | S | 34.1 | Very low | 35.1 | Very low | 112 Ų | 112 | 153 Ų | 153 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | trans | -99.1 | -159.2 | 170 | -41.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 1168 | P | 43.5 | Very low | 35.1 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | cis | -142.8 | 178 | -10 | 34.6 | -12.6 | 0 | 0 | 0 | 115.9 | ||||
| 1169 | S | 36.9 | Very low | 35.4 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | 167.4 | 97.2 | 132.9 | -71.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 1170 | K | 29.6 | Very low | 35.3 | Very low | 205 Ų | 205 | 139.6 Ų | 139.6 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | 61.1 | 106.9 | 103.9 | -87.8 | -176.5 | 177.9 | 177.5 | 0 | 116.8 | |||||
| 1171 | I | 34.6 | Very low | 35 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 90% | 0.903 | 80% | 0.798 | S | S | * | * | -152.4 | 144.4 | 124.4 | -88 | 146 | 0 | 0 | 0 | 108.2 | |||||
| 1172 | M | 32.7 | Very low | 34.8 | Very low | 189 Ų | 189 | 136.6 Ų | 136.6 | 93% | 0.931 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -54 | 128.6 | -158.8 | -65.6 | 156.9 | 64.2 | 0 | 0 | 118 | ||
| 1173 | S | 31 | Very low | 34.6 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 131.7 | 164.8 | 41.7 | 0 | 0 | 0 | 0 | 111 | ||
| 1174 | K | 34.6 | Very low | 34.2 | Very low | 206 Ų | 206 | 136.6 Ų | 136.6 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 123.5 | 165.4 | -80.2 | -179.2 | 175.3 | 178.4 | 0 | 108.5 | L1176 | K1174-L1176 PolarHBondContact O-N 3.11Š|
| 1175 | H | 29.5 | Very low | 34.1 | Very low | 161 Ų | 161 | 143 Ų | 143 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62 | 122.3 | 163.9 | -114 | -94.7 | 0 | 0 | 0 | 109.1 | D1177 | H1175-D1177 IonicContact CE1-OD2 3.44Å; H1175-D1177 PolarHBondContact CE1-OD2 2.98Å; H1175-D1177 IonicContact ND1-OD2 2.88Å; H1175-D1177 PolarHBondContact ND1-OD2 3.35Å |
| 1176 | L | 33.4 | Very low | 33.7 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | trans | -130.3 | 87.6 | 156.1 | -87.3 | 166.7 | 0 | 0 | 0 | 106.8 | K1174 | K1174-L1176 PolarHBondContact O-N 3.11Š| ||
| 1177 | D | 30.6 | Very low | 33.4 | Very low | 123 Ų | 123 | 142 Ų | 142 | 66% | 0.658 | 79% | 0.787 | S | S | * | * | trans | -76 | 129.9 | 162 | -78.2 | -55.5 | 0 | 0 | 0 | 109 | H1175 | H1175-D1177 IonicContact CE1-OD2 3.44Å; H1175-D1177 PolarHBondContact CE1-OD2 2.98Å; H1175-D1177 IonicContact ND1-OD2 2.88Å; H1175-D1177 PolarHBondContact ND1-OD2 3.35Å | ||
| 1178 | S | 34.8 | Very low | 33.1 | Very low | 106 Ų | 106 | 143.9 Ų | 143.9 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | 145.3 | 129.5 | 145.2 | -66.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1179 | P | 41.1 | Very low | 32.5 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 60% | 0.604 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 152.6 | 166.4 | 28 | -32 | 0 | 0 | 0 | 109.1 | A1181 | P1179-A1181 PolarHBondContact O-N 2.78Š|
| 1180 | P | 35.1 | Very low | 32.2 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 129.1 | -176.7 | 1.3 | 4.6 | 0 | 0 | 0 | 109.6 | I1182 | P1180-I1182 PolarHBondContact O-N 3.11Š|
| 1181 | A | 31.8 | Very low | 32.2 | Very low | 91 Ų | 91 | 141.7 Ų | 141.7 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 125 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | P1179 P1183 | P1179-A1181 PolarHBondContact O-N 2.78Å; A1181-P1183 VanDerWaalsContact O-N 3.16Å |
| 1182 | I | 32.5 | Very low | 32 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 123.5 | 167.4 | -60.2 | 170.8 | 0 | 0 | 0 | 106.1 | P1180 | P1180-I1182 PolarHBondContact O-N 3.11Š|
| 1183 | P | 30.1 | Very low | 31.7 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 138.3 | -178.6 | 13.3 | -17.7 | 0 | 0 | 0 | 108.5 | A1181 R1185 | A1181-P1183 VanDerWaalsContact O-N 3.16Å; P1183-R1185 PolarHBondContact O-N 3.01Å |
| 1184 | P | 31.7 | Very low | 32 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | -59.1 | 112.5 | 173.1 | 24.4 | -30 | 0 | 0 | 0 | 106.9 | Q1186 | P1184-Q1186 PolarHBondContact O-N 3.2Š| ||
| 1185 | R | 34 | Very low | 31.7 | Very low | 228 Ų | 228 | 137.5 Ų | 137.5 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -59.2 | 105.7 | 167.9 | -80.7 | -171.8 | 179.5 | -151.4 | 2.3 | 106 | P1183 | P1183-R1185 PolarHBondContact O-N 3.01Š| ||
| 1186 | Q | 28.5 | Very low | 31.9 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -52 | 128.8 | 174.3 | -78.6 | -178.6 | -18.4 | 0 | 0 | 108.4 | P1184 T1188 | P1184-Q1186 PolarHBondContact O-N 3.2Å; Q1186-T1188 PolarHBondContact O-N 3.18Å | ||
| 1187 | P | 31.2 | Very low | 31.9 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | trans | -63.8 | 120.6 | 164.1 | 26.8 | -28.3 | 0 | 0 | 0 | 106.2 | S1189 | P1187-S1189 PolarHBondContact O-N 2.71Å; P1187-S1189 PolarHBondContact O-OG 3.21Å; P1187-S1189 VanDerWaalsContact O-OG 3.12Å | ||
| 1188 | T | 28.2 | Very low | 31.9 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 92% | 0.92 | 77% | 0.767 | S | S | * | * | trans | -61.7 | 81.5 | 171 | 41.6 | 0 | 0 | 0 | 0 | 109 | Q1186 | Q1186-T1188 PolarHBondContact O-N 3.18Š| ||
| 1189 | S | 29.9 | Very low | 31.8 | Very low | 93 Ų | 93 | 139 Ų | 139 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | -113.5 | 114.6 | 172.9 | 43.8 | 0 | 0 | 0 | 0 | 106.7 | P1187 A1191 | P1187-S1189 PolarHBondContact O-N 2.71Å; P1187-S1189 PolarHBondContact O-OG 3.21Å; P1187-S1189 VanDerWaalsContact O-OG 3.12Å; S1189-A1191 PolarHBondContact O-N 3.23Å; S1189-A1191 VanDerWaalsContact O-N 3.08Å | ||
| 1190 | K | 30.6 | Very low | 31.5 | Very low | 194 Ų | 194 | 141.1 Ų | 141.1 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | -55 | 109.4 | 179.4 | -66.2 | 175 | 175.9 | 178.2 | 0 | 109.5 | ||||
| 1191 | A | 30 | Very low | 31.5 | Very low | 99 Ų | 99 | 145.3 Ų | 145.3 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -90.1 | 101.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | S1189 | S1189-A1191 PolarHBondContact O-N 3.23Å; S1189-A1191 VanDerWaalsContact O-N 3.08Å | ||
| 1192 | Y | 31.2 | Very low | 31.6 | Very low | 127 Ų | 127 | 146.8 Ų | 146.8 | 50% | 0.498 | 77% | 0.772 | S | S | . | * | trans | -77.3 | 119.9 | 159.5 | -88.5 | -84.4 | 0 | 0 | 0 | 108.5 | M1319 H1320 | Y1192-M1319 WeakPolarHBondContact CD2-O 3.49Å; Y1192-M1319 VanDerWaalsContact CE2-O 3.25Å; Y1192-M1319 WeakPolarHBondContact CE2-O 3.37Å; Y1192-H1320 AromaticContact CD1-CD2 3.56Å; Y1192-H1320 HydrophobicContact CE1-CB 3.99Å; Y1192-H1320 AromaticContact CE1-CD2 3.57Å; Y1192-H1320 HydrophobicContact CE2-CB 4.21Å; Y1192-H1320 AromaticContact CG-CD2 3.89Å; Y1192-H1320 AromaticContact CZ-CD2 3.9Å; Y1192-H1320 PolarHBondContact OH-O 3.35Å | ||
| 1193 | S | 27.1 | Very low | 31.8 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -97.4 | 127 | 161.6 | -81.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1194 | P | 35.4 | Very low | 32.1 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | -111.5 | 109.9 | 158.3 | 28.1 | -13.4 | 0 | 0 | 0 | 109.8 | ||||
| 1195 | R | 29.4 | Very low | 32.3 | Very low | 240 Ų | 240 | 144.9 Ų | 144.9 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | trans | -97 | 110.1 | 158.3 | -80.6 | -174.7 | -177.5 | 170.8 | 2.3 | 107.8 | ||||
| 1196 | Y | 33.5 | Very low | 32.3 | Very low | 236 Ų | 236 | 141 Ų | 141 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | trans | -137.2 | 131.3 | 151.1 | -90.6 | -77.8 | 0 | 0 | 0 | 109.8 | ||||
| 1197 | S | 32.6 | Very low | 32.8 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -84.6 | 135 | 180 | -73.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1198 | I | 31 | Very low | 33.4 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 77% | 0.774 | 77% | 0.765 | S | S | * | * | trans | 61.6 | 112.1 | 133 | -52.3 | 165.6 | 0 | 0 | 0 | 118 | ||||
| 1199 | S | 33.8 | Very low | 33.9 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | 177 | 129.5 | 110.5 | -74 | 0 | 0 | 0 | 0 | 113 | |||||
| 1200 | D | 33.7 | Very low | 34.4 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | 73.8 | 116.5 | 140.2 | -74.2 | -7.4 | 0 | 0 | 0 | 124.5 | ||||
| 1201 | R | 35 | Very low | 34.6 | Very low | 211 Ų | 211 | 139.2 Ų | 139.2 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | 101.2 | 110.4 | 124.5 | -83.6 | 179.1 | 177.4 | -135.3 | -0.9 | 120.4 | |||||
| 1202 | T | 33.8 | Very low | 35.4 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | 57.8 | 132.2 | 127.7 | 57.1 | 0 | 0 | 0 | 0 | 118 | |||||
| 1203 | S | 36.5 | Very low | 35.7 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | cis | 170.4 | 155 | 25 | 38.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1204 | I | 37.5 | Very low | 35.8 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | 80.2 | 100.7 | 147.3 | -64.9 | 155.8 | 0 | 0 | 0 | 117.6 | ||||
| 1205 | S | 35.6 | Very low | 36.4 | Very low | 93 Ų | 93 | 144.9 Ų | 144.9 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | 86.8 | 124.8 | 94.1 | 84.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1206 | D | 33.6 | Very low | 36.7 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | -169.7 | 156.7 | 69.9 | -71.1 | -32.1 | 0 | 0 | 0 | 112.4 | |||||
| 1207 | P | 38.3 | Very low | 36.6 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -126.2 | -171.6 | 151.7 | 39.7 | -26.7 | 0 | 0 | 0 | 110.9 | ||||
| 1208 | P | 45.1 | Very low | 36.5 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | cis | -127.1 | 173.4 | -31.6 | 35.2 | -17.6 | 0 | 0 | 0 | 113.2 | ||||
| 1209 | E | 37.5 | Very low | 36.6 | Very low | 198 Ų | 198 | 142 Ų | 142 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -146.8 | 149.6 | 160.3 | -114.1 | -178.3 | -174.7 | 0 | 0 | 112.7 | ||||
| 1210 | S | 40.4 | Very low | 36.4 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 169.7 | -158.5 | -46.8 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1211 | P | 36.5 | Very low | 36.1 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 160 | -164.1 | 37.3 | -32.6 | 0 | 0 | 0 | 113.9 | ||
| 1212 | P | 45.7 | Very low | 35.9 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 152.3 | 166.2 | 21.7 | -4.9 | 0 | 0 | 0 | 114.1 | ||
| 1213 | L | 37.6 | Very low | 35.8 | Very low | 175 Ų | 175 | 142.1 Ų | 142.1 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 145.8 | -176.5 | -70.9 | 135 | 0 | 0 | 0 | 117.2 | ||
| 1214 | L | 29.9 | Very low | 35.4 | Very low | 168 Ų | 168 | 145.5 Ų | 145.5 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 141.8 | 172.7 | -70.2 | 159 | 0 | 0 | 0 | 113.4 | ||
| 1215 | P | 46.6 | Very low | 35.2 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 165 | 151.8 | 33.4 | -24.5 | 0 | 0 | 0 | 111.3 | ||
| 1216 | P | 37.1 | Very low | 35 | Very low | 127 Ų | 127 | 141.9 Ų | 141.9 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 140.5 | -173.4 | -10.4 | 25.9 | 0 | 0 | 0 | 112.3 | E1218 | P1216-E1218 PolarHBondContact O-N 2.71Š|
| 1217 | R | 30.6 | Very low | 34.8 | Very low | 251 Ų | 251 | 139.5 Ų | 139.5 | 95% | 0.947 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 122 | 174.4 | -89 | 176.7 | 160.7 | 173 | -7.6 | 111.9 | ||
| 1218 | E | 30.7 | Very low | 34.3 | Very low | 176 Ų | 176 | 138.4 Ų | 138.4 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 146.4 | 155.2 | -74.4 | -173.6 | 155.9 | 0 | 0 | 109.8 | P1216 V1220 | P1216-E1218 PolarHBondContact O-N 2.71Å; E1218-V1220 PolarHBondContact O-N 2.83Å |
| 1219 | P | 32.6 | Very low | 33.6 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 123.7 | 175.3 | 17.4 | -10.6 | 0 | 0 | 0 | 109.6 | R1221 | P1219-R1221 PolarHBondContact O-N 3.34Š|
| 1220 | V | 30.5 | Very low | 33.4 | Very low | 137 Ų | 137 | 135 Ų | 135 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -59 | 117.7 | 172.6 | 175.1 | 0 | 0 | 0 | 0 | 108.4 | E1218 T1222 | E1218-V1220 PolarHBondContact O-N 2.83Å; V1220-T1222 PolarHBondContact O-N 3.08Å |
| 1221 | R | 27.5 | Very low | 33 | Very low | 236 Ų | 236 | 137.6 Ų | 137.6 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -61 | 116.6 | 165.8 | -77.3 | -177.1 | 178.8 | 160.6 | 0.2 | 108.5 | P1219 | P1219-R1221 PolarHBondContact O-N 3.34Š|
| 1222 | T | 30.7 | Very low | 32.7 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 59% | 0.589 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -54 | 139.9 | 158.2 | 37.9 | 0 | 0 | 0 | 0 | 109 | V1220 D1224 | V1220-T1222 PolarHBondContact O-N 3.08Å; T1222-D1224 PolarHBondContact O-N 3.43Å |
| 1223 | P | 32.1 | Very low | 32.1 | Very low | 106 Ų | 106 | 143 Ų | 143 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 120.2 | 166.4 | -2.1 | 17.7 | 0 | 0 | 0 | 107.1 | V1225 | P1223-V1225 PolarHBondContact O-N 3.16Š|
| 1224 | D | 28.4 | Very low | 31.9 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -52.5 | 110.5 | 168.4 | -70.5 | -50 | 0 | 0 | 0 | 109 | T1222 | T1222-D1224 PolarHBondContact O-N 3.43Š| ||
| 1225 | V | 32.3 | Very low | 32.3 | Very low | 71 Ų | 71 | 141.4 Ų | 141.4 | 43% | 0.43 | 77% | 0.769 | S | S | . | * | trans | -115.1 | 111.9 | 167.1 | -165.7 | 0 | 0 | 0 | 0 | 106.4 | P1223 | P1223-V1225 PolarHBondContact O-N 3.16Š| ||
| 1226 | F | 31.6 | Very low | 31.7 | Very low | 94 Ų | 94 | 142 Ų | 142 | 41% | 0.412 | 77% | 0.773 | S | S | . | * | S | Bend | trans | 82.3 | 71.6 | 175.2 | -54.6 | -70.6 | 0 | 0 | 0 | 119 | I825 L934 | I825-F1226 HydrophobicContact CD1-CE1 3.83Å; I825-F1226 HydrophobicContact CD1-CZ 3.88Å; I825-F1226 HydrophobicContact CG1-CZ 4.25Å; I825-F1226 HydrophobicContact CG2-CD1 4.22Å; I825-F1226 HydrophobicContact CG2-CD2 4.4Å; I825-F1226 HydrophobicContact CG2-CE1 4.25Å; I825-F1226 HydrophobicContact CG2-CE2 4.43Å; I825-F1226 HydrophobicContact CG2-CG 4.31Å; I825-F1226 HydrophobicContact CG2-CZ 4.35Å; L934-F1226 HydrophobicContact CD1-CE1 4.34Å; L934-F1226 HydrophobicContact CD1-CZ 3.67Å |
| 1227 | S | 28.9 | Very low | 31.8 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | -142.3 | 106.7 | 135 | -59.3 | 0 | 0 | 0 | 0 | 108.8 | E1002 | E1002-S1227 PolarHBondContact OE1-OG 3.4Š| ||
| 1228 | S | 29 | Very low | 32 | Very low | 97 Ų | 97 | 138.5 Ų | 138.5 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -112.3 | 110 | 170.1 | 56.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1229 | S | 29 | Very low | 32.2 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | trans | -148.7 | 146.3 | 151.6 | -77.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1230 | P | 33.7 | Very low | 32.2 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -93.8 | 155.1 | -153.5 | 8.6 | 10.9 | 0 | 0 | 0 | 115.1 | ||||
| 1231 | L | 31.3 | Very low | 32.5 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | trans | -28.4 | 141.9 | 174 | -64.5 | 159.4 | 0 | 0 | 0 | 119.4 | ||||
| 1232 | H | 31.9 | Very low | 32.8 | Very low | 199 Ų | 199 | 132.9 Ų | 132.9 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | trans | -120.6 | 122.9 | 151.4 | -133.4 | -27.7 | 0 | 0 | 0 | 110.7 | ||||
| 1233 | L | 31.6 | Very low | 32.9 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | trans | -74.1 | 145.2 | -179.8 | -78.7 | 143.6 | 0 | 0 | 0 | 113.8 | ||||
| 1234 | Q | 33.3 | Very low | 33 | Very low | 189 Ų | 189 | 139.2 Ų | 139.2 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -139.4 | 134.2 | 155.5 | -145.9 | 176.8 | 5.6 | 0 | 0 | 109.6 | ||||
| 1235 | P | 38.2 | Very low | 33.4 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | -98.7 | 160.4 | -166.6 | 35.6 | -28.8 | 0 | 0 | 0 | 114.6 | ||||
| 1236 | P | 35.3 | Very low | 33.4 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -105.5 | 169.5 | -174.5 | 40.1 | -32.6 | 0 | 0 | 0 | 114.5 | ||||
| 1237 | P | 39.5 | Very low | 33.6 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | trans | -107.3 | 125.3 | 173.4 | 35.1 | -24.1 | 0 | 0 | 0 | 115.5 | ||||
| 1238 | L | 34.3 | Very low | 33.8 | Very low | 183 Ų | 183 | 144 Ų | 144 | 96% | 0.958 | 82% | 0.82 | S | S | * | * | trans | 39 | 127.4 | 133.6 | -71.8 | 157.5 | 0 | 0 | 0 | 124.5 | ||||
| 1239 | G | 33.8 | Very low | 33.9 | Very low | 71 Ų | 71 | 148.3 Ų | 148.3 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | trans | 160.5 | 96.1 | 148.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1240 | K | 33.5 | Very low | 34.4 | Very low | 195 Ų | 195 | 147.6 Ų | 147.6 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | 84.9 | 118.1 | 86 | -91.9 | -174.1 | -179.7 | 173.3 | 0 | 117.3 | |||||
| 1241 | K | 35.8 | Very low | 34.3 | Very low | 190 Ų | 190 | 148.9 Ų | 148.9 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | 73.6 | 150.8 | 147.6 | -62.2 | -179.4 | 173.6 | -171.1 | 0 | 118.9 | ||||
| 1242 | S | 34 | Very low | 34.5 | Very low | 91 Ų | 91 | 146.6 Ų | 146.6 | 64% | 0.636 | 82% | 0.817 | S | S | * | * | cis | -175.5 | 163.7 | -20.1 | 52.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1243 | D | 33.4 | Very low | 34.9 | Very low | 146 Ų | 146 | 143.2 Ų | 143.2 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | trans | 102.7 | 144.9 | 151 | -62.8 | -47.3 | 0 | 0 | 0 | 123.8 | ||||
| 1244 | H | 34.7 | Very low | 34.9 | Very low | 190 Ų | 190 | 140.5 Ų | 140.5 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -95.8 | 164.2 | -152.4 | -72.6 | -71.7 | 0 | 0 | 0 | 115.7 | ||||
| 1245 | G | 35.6 | Very low | 35.5 | Very low | 81 Ų | 81 | 137.1 Ų | 137.1 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -160.9 | 111.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1246 | N | 33.2 | Very low | 35.4 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -80.3 | 167.5 | 177.4 | -90.3 | -26.3 | 0 | 0 | 0 | 113.5 | ||||
| 1247 | A | 35.9 | Very low | 35.4 | Very low | 87 Ų | 87 | 141.8 Ų | 141.8 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | trans | 123.7 | 139.6 | 148.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1248 | F | 33.1 | Very low | 35.5 | Very low | 195 Ų | 195 | 141.3 Ų | 141.3 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | cis | -171.2 | 142.4 | -8.7 | -118.1 | -90 | 0 | 0 | 0 | 107 | ||||
| 1249 | F | 31.5 | Very low | 36 | Very low | 187 Ų | 187 | 138.2 Ų | 138.2 | 82% | 0.82 | 80% | 0.798 | S | S | * | * | trans | -27.5 | -171.6 | 159.1 | -75.7 | -80.6 | 0 | 0 | 0 | 121.7 | ||||
| 1250 | P | 40 | Very low | 37.1 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 68% | 0.675 | 80% | 0.801 | S | S | * | * | cis | -145 | 176.3 | -18.2 | 26.9 | -1.7 | 0 | 0 | 0 | 118.5 | ||||
| 1251 | N | 30.4 | Very low | 37.7 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | 45 | 130.1 | 142.2 | -67.3 | -8.8 | 0 | 0 | 0 | 125.3 | ||||
| 1252 | S | 36 | Very low | 37.7 | Very low | 124 Ų | 124 | 137 Ų | 137 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -159.8 | 157.6 | 138.5 | -30.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1253 | P | 39.4 | Very low | 38 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | trans | -109.5 | 175.9 | -152.9 | 40.8 | -31.3 | 0 | 0 | 0 | 117.1 | ||||
| 1254 | S | 32.5 | Very low | 38.3 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -83.3 | 172.8 | -176.7 | 44.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1255 | P | 46.3 | Very low | 38.3 | Very low | 119 Ų | 119 | 134 Ų | 134 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -140.7 | 130.2 | 138.8 | 31.8 | -13.6 | 0 | 0 | 0 | 117.3 | ||||
| 1256 | F | 34.8 | Very low | 38.8 | Very low | 197 Ų | 197 | 136 Ų | 136 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | 26.1 | 132.2 | 139.4 | -67 | -87.4 | 0 | 0 | 0 | 124.4 | ||||
| 1257 | T | 36.3 | Very low | 39 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | -168.5 | 156.2 | 128.2 | 13.8 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1258 | P | 41.1 | Very low | 39.1 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -112 | 170.7 | -130.7 | 39 | -27.3 | 0 | 0 | 0 | 116.1 | ||||
| 1259 | P | 45.3 | Very low | 39.4 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 154.3 | 175.1 | 36.3 | -31.4 | 0 | 0 | 0 | 112.7 | ||
| 1260 | P | 57.5 | Low | 39.7 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 158.8 | 175.8 | 33.7 | -31.6 | 0 | 0 | 0 | 112.9 | ||
| 1261 | P | 46.3 | Very low | 39.6 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 159.1 | -157.7 | 35.9 | -34.7 | 0 | 0 | 0 | 115.6 | ||
| 1262 | Q | 35.6 | Very low | 40.1 | Very low | 175 Ų | 175 | 138.5 Ų | 138.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 160.4 | 169.9 | -69.4 | -177.6 | -5.7 | 0 | 0 | 113.1 | ||
| 1263 | T | 38.7 | Very low | 40.2 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | 89.5 | 156.8 | 158.8 | 72.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1264 | P | 41.3 | Very low | 40.2 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | cis | -132.8 | 169.4 | -10.8 | 23.2 | 1.4 | 0 | 0 | 0 | 115.6 | ||||
| 1265 | S | 33.8 | Very low | 40.3 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -64.6 | 172.5 | 176.8 | -46.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1266 | P | 45.9 | Very low | 40.1 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | -140.6 | 149.1 | 120.1 | 32.4 | -15.4 | 0 | 0 | 0 | 117.1 | |||||
| 1267 | H | 37.9 | Very low | 40.6 | Very low | 199 Ų | 199 | 134.4 Ų | 134.4 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -29.1 | 150.9 | 170.5 | -63.4 | -78.1 | 0 | 0 | 0 | 121.9 | ||||
| 1268 | G | 37.7 | Very low | 40.6 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | -179.1 | 71.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1269 | T | 39.7 | Very low | 40.4 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 52 | 112.6 | 142.9 | 41.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1270 | R | 36.9 | Very low | 40.1 | Very low | 202 Ų | 202 | 137.4 Ų | 137.4 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | 84.3 | 124.4 | 102.3 | -121.1 | -174 | -176.2 | -178.6 | 3.8 | 113.7 | |||||
| 1271 | R | 39.3 | Very low | 39.2 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | cis | -169.3 | 142.8 | 47.4 | -85.5 | -177.3 | 167.6 | 158.1 | -2.1 | 111.2 | ||||
| 1272 | H | 40 | Very low | 38.8 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | trans | 45.1 | 142 | 132.3 | -62.3 | -67.4 | 0 | 0 | 0 | 120.9 | ||||
| 1273 | L | 38.6 | Very low | 39.2 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | cis | -168.6 | 172.5 | 21.6 | -111.1 | 142.7 | 0 | 0 | 0 | 108.4 | ||||
| 1274 | P | 38.4 | Very low | 39.1 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | trans | -118.4 | 159.7 | -154.5 | 43.1 | -33.6 | 0 | 0 | 0 | 118.4 | ||||
| 1275 | S | 34.8 | Very low | 39.1 | Very low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | 63.7 | 173.4 | 144.4 | -41.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1276 | P | 42.6 | Very low | 39.2 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | -127.5 | -142.6 | -106.5 | 39.2 | -14.6 | 0 | 0 | 0 | 111.8 | |||||
| 1277 | P | 44.9 | Very low | 39 | Very low | 102 Ų | 102 | 144.7 Ų | 144.7 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | cis | -128.9 | -169.4 | -36 | 35 | -13.8 | 0 | 0 | 0 | 115 | ||||
| 1278 | L | 37 | Very low | 39.1 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | 83.2 | 140.6 | 162.4 | -62.5 | 157.7 | 0 | 0 | 0 | 117.2 | ||||
| 1279 | T | 37.2 | Very low | 39.2 | Very low | 106 Ų | 106 | 140.2 Ų | 140.2 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | cis | -172.1 | 149.5 | 36.8 | -0.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1280 | Q | 38.6 | Very low | 39.4 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 55.7 | 141.9 | 142.4 | -68.8 | 167.9 | -28.4 | 0 | 0 | 121.2 | ||||
| 1281 | E | 39 | Very low | 39.4 | Very low | 183 Ų | 183 | 136 Ų | 136 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | cis | -150.6 | 131.1 | 44.3 | -65 | 173.9 | 143.3 | 0 | 0 | 110.3 | ||||
| 1282 | V | 37.4 | Very low | 39.2 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | 55.4 | 108.4 | 85.5 | -167.4 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 1283 | D | 42.7 | Very low | 39.5 | Very low | 168 Ų | 168 | 131.5 Ų | 131.5 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | -157.7 | 140.7 | 128.1 | -110.9 | -21.6 | 0 | 0 | 0 | 113.1 | |||||
| 1284 | L | 37 | Very low | 39.5 | Very low | 137 Ų | 137 | 129.1 Ų | 129.1 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | trans | -100.2 | 149.7 | -170 | -119 | 85.4 | 0 | 0 | 0 | 111.4 | ||||
| 1285 | H | 41.8 | Very low | 39.4 | Very low | 191 Ų | 191 | 135.7 Ų | 135.7 | 88% | 0.884 | 79% | 0.785 | S | S | * | * | -174.4 | 134.2 | 127.1 | -90.2 | -55.9 | 0 | 0 | 0 | 113.3 | |||||
| 1286 | S | 36.3 | Very low | 39.6 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -51.6 | 157.3 | -179.2 | -59.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1287 | I | 40.8 | Very low | 39.1 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | -162.1 | 144.2 | 88.8 | -83.5 | 157.5 | 0 | 0 | 0 | 112.7 | |||||
| 1288 | A | 40.2 | Very low | 38.6 | Very low | 103 Ų | 103 | 140 Ų | 140 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -41.9 | 161.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1289 | G | 39.9 | Very low | 38.5 | Very low | 71 Ų | 71 | 137.1 Ų | 137.1 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | cis | 171.4 | -161.5 | 10.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1290 | P | 45.1 | Very low | 38.3 | Very low | 128 Ų | 128 | 141 Ų | 141 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | -124.2 | 171.5 | -53.5 | 39.6 | -26 | 0 | 0 | 0 | 113.7 | |||||
| 1291 | P | 36.3 | Very low | 38.3 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | trans | -95.5 | 155.1 | 176.9 | 36.4 | -31.2 | 0 | 0 | 0 | 114.5 | ||||
| 1292 | V | 34 | Very low | 38 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 76% | 0.758 | 79% | 0.789 | S | S | * | * | trans | 35.9 | 136.2 | 152.1 | -170.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1293 | P | 47.9 | Very low | 37.8 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | -127.1 | 139.1 | 139.9 | 34.1 | -21.9 | 0 | 0 | 0 | 113.7 | ||||
| 1294 | P | 37.5 | Very low | 37.3 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | trans | -100.3 | 141.4 | 161.9 | 35.1 | -24.8 | 0 | 0 | 0 | 111.1 | ||||
| 1295 | R | 37.4 | Very low | 37 | Very low | 238 Ų | 238 | 141 Ų | 141 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | -178.7 | 106 | 159.9 | -102.7 | 161.2 | -171.8 | -148.4 | 2.9 | 108.9 | ||||
| 1296 | Q | 37.8 | Very low | 36.7 | Very low | 186 Ų | 186 | 136.8 Ų | 136.8 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | 72.5 | 108 | 87.7 | -80 | -172.4 | -9.9 | 0 | 0 | 116.6 | |||||
| 1297 | S | 31.8 | Very low | 36.5 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | 68.7 | 111.1 | 133.5 | -169 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1298 | T | 35.5 | Very low | 36.3 | Very low | 131 Ų | 131 | 139 Ų | 139 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | -174.1 | 90.9 | 119.9 | 24.4 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 1299 | S | 34.1 | Very low | 35.9 | Very low | 94 Ų | 94 | 140.2 Ų | 140.2 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | 59.2 | 103.3 | 94.3 | 65.7 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1300 | Q | 34.5 | Very low | 35.6 | Very low | 186 Ų | 186 | 147.4 Ų | 147.4 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | trans | 178.2 | 98.3 | 130.1 | -93.9 | 170.5 | 21.3 | 0 | 0 | 109.7 | ||||
| 1301 | H | 36.8 | Very low | 34.9 | Very low | 166 Ų | 166 | 150.9 Ų | 150.9 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | 64.5 | 97.8 | 111.2 | -89.9 | -83.4 | 0 | 0 | 0 | 115.6 | |||||
| 1302 | I | 34.4 | Very low | 34.8 | Very low | 140 Ų | 140 | 156.4 Ų | 156.4 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | 71.3 | 142.2 | 88.1 | -68.2 | 176.8 | 0 | 0 | 0 | 112.4 | |||||
| 1303 | P | 32.6 | Very low | 34.6 | Very low | 116 Ų | 116 | 159 Ų | 159 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | cis | -140.4 | 166 | 17 | 21.9 | 4.9 | 0 | 0 | 0 | 118.4 | ||||
| 1304 | K | 31.4 | Very low | 33.8 | Very low | 195 Ų | 195 | 161.4 Ų | 161.4 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -62.9 | 157.5 | 153.6 | -67.8 | 171.9 | 172.7 | 176.7 | 0 | 112.1 | ||||
| 1305 | L | 30.5 | Very low | 33.6 | Very low | 164 Ų | 164 | 162.6 Ų | 162.6 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | 131.3 | 159.2 | 154.9 | -73.4 | 160.1 | 0 | 0 | 0 | 111.6 | ||||
| 1306 | P | 36.2 | Very low | 33.3 | Very low | 103 Ų | 103 | 158.9 Ų | 158.9 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | cis | -131.5 | -176.6 | -47.7 | 40.1 | -22.6 | 0 | 0 | 0 | 110 | ||||
| 1307 | P | 32.9 | Very low | 33.2 | Very low | 118 Ų | 118 | 156.2 Ų | 156.2 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -78.1 | 134.9 | -164 | 33 | -29.6 | 0 | 0 | 0 | 111.6 | ||||
| 1308 | K | 34.8 | Very low | 33.2 | Very low | 202 Ų | 202 | 155.2 Ų | 155.2 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | trans | -97.2 | 98.4 | 166.9 | -77.1 | -171.4 | 177.5 | 179.8 | 0 | 109.8 | Y1310 | K1308-Y1310 PolarHBondContact O-N 3.45Š| ||
| 1309 | T | 32.4 | Very low | 33.1 | Very low | 129 Ų | 129 | 154.9 Ų | 154.9 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -32.7 | 114.3 | 156.4 | 36.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1310 | Y | 33.8 | Very low | 33 | Very low | 221 Ų | 221 | 155.9 Ų | 155.9 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | -110.4 | 109 | 145.9 | -99.4 | -88.3 | 0 | 0 | 0 | 107.4 | K1308 R1312 | K1308-Y1310 PolarHBondContact O-N 3.45Å; Y1310-R1312 PolarHBondContact O-N 3.09Å | ||
| 1311 | K | 29.7 | Very low | 32.9 | Very low | 202 Ų | 202 | 156.5 Ų | 156.5 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | trans | -59.7 | 117.5 | 159.8 | -78.1 | 178.1 | 171.4 | -178.7 | 0 | 107 | ||||
| 1312 | R | 34.1 | Very low | 32.9 | Very low | 231 Ų | 231 | 156 Ų | 156 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | trans | -144.7 | 121.7 | 151.1 | -113.8 | 178.5 | -174.2 | 168.7 | 1.4 | 109.6 | Y1310 | Y1310-R1312 PolarHBondContact O-N 3.09Š| ||
| 1313 | E | 31.6 | Very low | 32.9 | Very low | 180 Ų | 180 | 152.7 Ų | 152.7 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | -39.6 | 132.2 | -176.3 | -70.2 | 154 | 163.1 | 0 | 0 | 114.8 | ||||
| 1314 | H | 29.8 | Very low | 33 | Very low | 173 Ų | 173 | 153 Ų | 153 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | trans | -77.2 | 114.5 | 159.6 | -78.9 | -17.5 | 0 | 0 | 0 | 109.1 | ||||
| 1315 | T | 32.5 | Very low | 33.6 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | trans | -110.3 | 88.7 | 156 | 46.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1316 | H | 31.5 | Very low | 34 | Very low | 159 Ų | 159 | 149.3 Ų | 149.3 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | -85.4 | 135.4 | 155.7 | -88.8 | -77.2 | 0 | 0 | 0 | 108.2 | ||||
| 1317 | P | 35.8 | Very low | 34.1 | Very low | 130 Ų | 130 | 151.3 Ų | 151.3 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | trans | -85.8 | 103.5 | 147.4 | -0.6 | 20 | 0 | 0 | 0 | 107.6 | ||||
| 1318 | S | 33.1 | Very low | 34.3 | Very low | 84 Ų | 84 | 153 Ų | 153 | 59% | 0.587 | 78% | 0.775 | S | S | * | * | trans | -70.4 | 169.2 | 166.4 | 52.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1319 | M | 33.1 | Very low | 34.6 | Very low | 125 Ų | 125 | 150.1 Ų | 150.1 | 62% | 0.616 | 77% | 0.77 | S | S | * | * | trans | 148 | 128.3 | 141.7 | -79.4 | -61.5 | 104.2 | 0 | 0 | 107.3 | Y1192 | Y1192-M1319 WeakPolarHBondContact CD2-O 3.49Å; Y1192-M1319 VanDerWaalsContact CE2-O 3.25Å; Y1192-M1319 WeakPolarHBondContact CE2-O 3.37Å | ||
| 1320 | H | 32.2 | Very low | 35 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 53% | 0.528 | 76% | 0.764 | S | S | . | * | cis | -147.4 | 149 | 12.9 | -71.1 | -94.4 | 0 | 0 | 0 | 110.3 | Y1192 | Y1192-H1320 AromaticContact CD1-CD2 3.56Å; Y1192-H1320 HydrophobicContact CE1-CB 3.99Å; Y1192-H1320 AromaticContact CE1-CD2 3.57Å; Y1192-H1320 HydrophobicContact CE2-CB 4.21Å; Y1192-H1320 AromaticContact CG-CD2 3.89Å; Y1192-H1320 AromaticContact CZ-CD2 3.9Å; Y1192-H1320 PolarHBondContact OH-O 3.35Å | ||
| 1321 | R | 31.8 | Very low | 35.3 | Very low | 200 Ų | 200 | 145.5 Ų | 145.5 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | -177.2 | 120.3 | 121 | -134.1 | -178 | -175 | 167.6 | 3.3 | 107.7 | |||||
| 1322 | D | 37.7 | Very low | 35.8 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | 168.2 | 132.4 | 129.3 | -81.3 | -20.1 | 0 | 0 | 0 | 110.6 | |||||
| 1323 | G | 34 | Very low | 36 | Very low | 71 Ų | 71 | 139.4 Ų | 139.4 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 166.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1324 | P | 34.5 | Very low | 36.2 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 161.1 | -158.3 | 37.3 | -33.5 | 0 | 0 | 0 | 113.1 | ||
| 1325 | P | 44.4 | Very low | 36.6 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 134.5 | 145.5 | 24.2 | -8.6 | 0 | 0 | 0 | 110.5 | ||
| 1326 | L | 38 | Very low | 36.8 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 160.9 | 177 | -88.2 | 160.3 | 0 | 0 | 0 | 114 | ||
| 1327 | L | 38.5 | Very low | 37.1 | Very low | 145 Ų | 145 | 134.2 Ų | 134.2 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | 79.6 | 128.6 | 158.4 | -62.7 | 150.1 | 0 | 0 | 0 | 114.9 | ||||
| 1328 | E | 38.1 | Very low | 37.2 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | cis | -163.3 | 143.2 | 24.4 | -119.8 | 170 | 170.4 | 0 | 0 | 109.8 | ||||
| 1329 | N | 39.7 | Very low | 37.5 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | 49.1 | 115.7 | 142 | -59.4 | -20.7 | 0 | 0 | 0 | 120 | ||||
| 1330 | A | 41.5 | Very low | 37.8 | Very low | 80 Ų | 80 | 138.7 Ų | 138.7 | 66% | 0.661 | 79% | 0.793 | S | S | * | * | 155.3 | 132.4 | 89.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1331 | H | 40.4 | Very low | 38.2 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | trans | 72.9 | 101.9 | 155.7 | -59.9 | -55.6 | 0 | 0 | 0 | 118.9 | ||||
| 1332 | S | 40.2 | Very low | 38.7 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | 95.8 | 83.1 | 79.9 | -67.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1333 | S | 38.1 | Very low | 38.8 | Very low | 201 Ų | 201 | 133.9 Ų | 133.9 | 100% | 1.406 | 82% | 0.817 | S | S | * | * | trans | 178.8 | 0 | 138.7 | -70.8 | 0 | 0 | 0 | 0 | 108.8 |
Retrieved 1,333 of 1,333 residues in 531.4 ms
(Link to these results)