| 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 | 29.1 | Very low | 65 | Low | 249 Ų | 249 | 85.1 Ų | 85.1 | 100% | 1.227 | 45% | 0.446 | S | S | * | . | 0 | 119 | 0 | -69.1 | 152.5 | 174.1 | 0 | 0 | 106.2 | |||||
| 2 | S | 38.4 | Very low | 64.8 | Low | 118 Ų | 118 | 90.6 Ų | 90.6 | 83% | 0.825 | 48% | 0.477 | S | S | * | . | trans | -77.7 | 128.7 | 162.7 | 36.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 3 | R | 54.7 | Low | 64.5 | Low | 156 Ų | 156 | 89.5 Ų | 89.5 | 59% | 0.589 | 48% | 0.476 | S | S | * | . | trans | -65.5 | 132.1 | 152.6 | -111.4 | -178.6 | 168.5 | 158.1 | -3.2 | 105.9 | S5 E7 F21 | R3-S5 WeakPolarHBondContact CB-O 3.48Å; R3-E7 IonicContact CZ-OE1 2.72Å; R3-E7 IonicContact CZ-OE2 2.68Å; R3-E7 IonicContact NE-OE1 3.55Å; R3-E7 PolarHBondContact NE-OE1 3.48Å; R3-E7 IonicContact NH2-OE1 2.69Å; R3-E7 PolarHBondContact NH2-OE1 2.65Å; R3-E7 IonicContact NH2-OE2 3.99Å; R3-E7 PolarHBondContact NH2-OE2 2.77Å; R3-F21 HydrophobicContact CB-CE2 4.36Å; R3-F21 WeakPolarHBondContact O-CD2 3.12Å; R3-F21 WeakPolarHBondContact O-CE2 3.12Å | ||
| 4 | G | 64.3 | Low | 64.1 | Low | 47 Ų | 47 | 95.9 Ų | 95.9 | 49% | 0.485 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -86.3 | -33.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F21 | G4-F21 WeakPolarHBondContact O-CB 3.26Å; G4-F21 WeakPolarHBondContact O-CD2 3.48Å; G4-F21 WeakPolarHBondContact O-CG 3.43Å; G4-F21 PolarHBondContact O-N 3.4Å |
| 5 | S | 74.6 | Confident | 64 | Low | 16 Ų | 16 | 99.1 Ų | 99.1 | 11% | 0.112 | 52% | 0.521 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 162.4 | 173.3 | 54.2 | 0 | 0 | 0 | 0 | 111.3 | R3 E18 L19 | R3-S5 WeakPolarHBondContact CB-O 3.48Å; S5-E18 WeakPolarHBondContact CB-OE2 3.18Å; S5-E18 PolarHBondContact OG-OE2 2.94Å; S5-L19 CarbonylContact C-O 3.28Å; S5-L19 VanDerWaalsContact CA-O 3.27Å; S5-L19 WeakPolarHBondContact CA-O 3.2Å |
| 6 | I | 78.4 | Confident | 64.6 | Low | 17 Ų | 17 | 97.2 Ų | 97.2 | 9% | 0.087 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 137.7 | 158.6 | -166.1 | 162.8 | 0 | 0 | 0 | 110.2 | I8 E18 L19 F21 I43 A46 L47 | I6-I8 HydrophobicContact CG2-CG1 4.41Å; I6-E18 WeakPolarHBondContact O-CA 3.47Å; I6-L19 HydrophobicContact CG2-CB 4.18Å; I6-L19 PolarHBondContact N-O 3.45Å; I6-L19 PolarHBondContact O-N 2.76Å; I6-F21 HydrophobicContact CB-CE1 3.64Å; I6-F21 HydrophobicContact CB-CZ 3.68Å; I6-F21 HydrophobicContact CG2-CE1 3.72Å; I6-F21 HydrophobicContact CG2-CZ 4.29Å; I6-I43 HydrophobicContact CD1-CG2 3.94Å; I6-A46 HydrophobicContact CD1-CB 3.67Å; I6-L47 HydrophobicContact CG2-CD2 3.73Å; I6-L47 HydrophobicContact CG2-CG 4.16Å |
| 7 | E | 81.1 | Confident | 65.3 | Low | 76 Ų | 76 | 95.5 Ų | 95.5 | 36% | 0.355 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 118.9 | 174.4 | -63.6 | 138.8 | -128.2 | 0 | 0 | 108.8 | R3 V16 E18 | R3-E7 IonicContact CZ-OE1 2.72Å; R3-E7 IonicContact CZ-OE2 2.68Å; R3-E7 IonicContact NE-OE1 3.55Å; R3-E7 PolarHBondContact NE-OE1 3.48Å; R3-E7 IonicContact NH2-OE1 2.69Å; R3-E7 PolarHBondContact NH2-OE1 2.65Å; R3-E7 IonicContact NH2-OE2 3.99Å; R3-E7 PolarHBondContact NH2-OE2 2.77Å; E7-V16 HydrophobicContact CB-CB 4.23Å; E7-V16 HydrophobicContact CB-CG1 4.46Å; E7-V16 HydrophobicContact CB-CG2 4.28Å; E7-V16 HydrophobicContact CG-CG2 4.24Å; E7-E18 HydrophobicContact CG-CG 4.15Å |
| 8 | I | 79.3 | Confident | 66 | Low | 2 Ų | 2 | 97.3 Ų | 97.3 | 1% | 0.01 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 111.9 | 173.7 | -54.6 | 175 | 0 | 0 | 0 | 107.9 | I6 V16 I17 L19 L34 T39 I43 L47 | I6-I8 HydrophobicContact CG2-CG1 4.41Å; I8-V16 CarbonylContact O-C 3.59Å; I8-V16 WeakPolarHBondContact O-CA 3.22Å; I8-I17 HydrophobicContact CB-CB 4.3Å; I8-I17 PolarHBondContact N-O 3.14Å; I8-I17 PolarHBondContact O-N 3.34Å; I8-L19 HydrophobicContact CD1-CD1 4.27Å; I8-L34 HydrophobicContact CD1-CD2 4.04Å; I8-L34 HydrophobicContact CG2-CD2 4.23Å; I8-T39 HydrophobicContact CG2-CG2 3.59Å; I8-I43 HydrophobicContact CG1-CG2 4.31Å; I8-L47 HydrophobicContact CD1-CD1 4.3Å |
| 9 | P | 73.6 | Confident | 66.6 | Low | 70 Ų | 70 | 93.3 Ų | 93.3 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 134 | 177.5 | -20 | 33.1 | 0 | 0 | 0 | 112.2 | ||
| 10 | L | 74.4 | Confident | 67.3 | Low | 47 Ų | 47 | 93.9 Ų | 93.9 | 25% | 0.246 | 49% | 0.493 | C | S | . | . | trans | -79.8 | 154.3 | 169.9 | -66.5 | 176.2 | 0 | 0 | 0 | 111.1 | T13 E15 I17 E37 | L10-T13 WeakPolarHBondContact CB-OG1 3.44Å; L10-E15 WeakPolarHBondContact CB-O 3.4Å; L10-E15 HydrophobicContact CD1-CB 4.32Å; L10-E15 PolarHBondContact N-O 2.99Å; L10-I17 HydrophobicContact CD2-CD1 3.77Å; L10-I17 HydrophobicContact CD2-CG1 4.01Å; L10-I17 HydrophobicContact CG-CG1 4.37Å; L10-E37 WeakPolarHBondContact CA-OE2 3.46Å; L10-E37 HydrophobicContact CD2-CG 3.91Å | ||
| 11 | R | 67 | Low | 67.6 | Low | 138 Ų | 138 | 90.9 Ų | 90.9 | 52% | 0.521 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -73.1 | -38.5 | -172 | -163.9 | -177.7 | -154.1 | 152.7 | 11.6 | 114.5 | E37 H38 | R11-E37 WeakPolarHBondContact CB-OE2 3.3Å; R11-E37 PolarHBondContact N-OE2 2.81Å; R11-H38 PolarHBondContact NH1-CD2 2.87Å; R11-H38 PolarHBondContact NH1-NE2 3.18Å; R11-H38 VanDerWaalsContact NH1-NE2 3.17Å; R11-H38 PolarHBondContact NH2-CD2 3.44Å; R11-H38 PolarHBondContact NH2-CE1 3.28Å; R11-H38 PolarHBondContact NH2-ND1 3.36Å; R11-H38 PolarHBondContact NH2-NE2 3.45Å |
| 12 | D | 62.5 | Low | 69.7 | Low | 151 Ų | 151 | 86.3 Ų | 86.3 | 81% | 0.807 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -113 | 5.3 | -167.2 | -65.5 | -31.7 | 0 | 0 | 0 | 113.6 | ||
| 13 | T | 61.6 | Low | 71.3 | Confident | 76 Ų | 76 | 88.7 Ų | 88.7 | 47% | 0.466 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -147.9 | 150.5 | -175.1 | 52.7 | 0 | 0 | 0 | 0 | 112.5 | L10 E15 | L10-T13 WeakPolarHBondContact CB-OG1 3.44Å; T13-E15 PolarHBondContact O-N 3Å |
| 14 | D | 58.2 | Low | 72.3 | Confident | 179 Ų | 179 | 81.6 Ų | 81.6 | 96% | 0.957 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -68 | 1.4 | 172.3 | -65.3 | -24.7 | 0 | 0 | 0 | 114.2 | ||
| 15 | E | 62.3 | Low | 73 | Confident | 144 Ų | 144 | 81.6 Ų | 81.6 | 67% | 0.673 | 42% | 0.419 | S | S | * | . | trans | -82.8 | 147.6 | 178.2 | -64.5 | -169.5 | -168.3 | 0 | 0 | 112.3 | L10 T13 | L10-E15 WeakPolarHBondContact CB-O 3.4Å; L10-E15 HydrophobicContact CD1-CB 4.32Å; L10-E15 PolarHBondContact N-O 2.99Å; T13-E15 PolarHBondContact O-N 3Å | ||
| 16 | V | 74.8 | Confident | 73.2 | Confident | 69 Ų | 69 | 85.6 Ų | 85.6 | 42% | 0.418 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.9 | -179.9 | -63.7 | 0 | 0 | 0 | 0 | 110.3 | E7 I8 E18 | E7-V16 HydrophobicContact CB-CB 4.23Å; E7-V16 HydrophobicContact CB-CG1 4.46Å; E7-V16 HydrophobicContact CB-CG2 4.28Å; E7-V16 HydrophobicContact CG-CG2 4.24Å; I8-V16 CarbonylContact O-C 3.59Å; I8-V16 WeakPolarHBondContact O-CA 3.22Å; V16-E18 HydrophobicContact CG2-CG 4.5Å; V16-E18 PolarHBondContact O-N 3.16Å |
| 17 | I | 76.1 | Confident | 73 | Confident | 69 Ų | 69 | 84.9 Ų | 84.9 | 35% | 0.354 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 112.7 | 166.3 | -65.4 | 176.7 | 0 | 0 | 0 | 107.5 | I8 L10 I33 | I8-I17 HydrophobicContact CB-CB 4.3Å; I8-I17 PolarHBondContact N-O 3.14Å; I8-I17 PolarHBondContact O-N 3.34Å; L10-I17 HydrophobicContact CD2-CD1 3.77Å; L10-I17 HydrophobicContact CD2-CG1 4.01Å; L10-I17 HydrophobicContact CG-CG1 4.37Å; I17-I33 HydrophobicContact CD1-CG2 4.49Å |
| 18 | E | 76.8 | Confident | 72.9 | Confident | 127 Ų | 127 | 86.1 Ų | 86.1 | 59% | 0.593 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 126.1 | 166.7 | -72.2 | -163.8 | -127 | 0 | 0 | 110.5 | S5 I6 E7 V16 | S5-E18 WeakPolarHBondContact CB-OE2 3.18Å; S5-E18 PolarHBondContact OG-OE2 2.94Å; I6-E18 WeakPolarHBondContact O-CA 3.47Å; E7-E18 HydrophobicContact CG-CG 4.15Å; V16-E18 HydrophobicContact CG2-CG 4.5Å; V16-E18 PolarHBondContact O-N 3.16Å |
| 19 | L | 79 | Confident | 73 | Confident | 21 Ų | 21 | 91.5 Ų | 91.5 | 11% | 0.11 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 112.6 | 178.7 | -164.1 | 168.5 | 0 | 0 | 0 | 109.9 | S5 I6 I8 L24 V30 L47 | S5-L19 CarbonylContact C-O 3.28Å; S5-L19 VanDerWaalsContact CA-O 3.27Å; S5-L19 WeakPolarHBondContact CA-O 3.2Å; I6-L19 HydrophobicContact CG2-CB 4.18Å; I6-L19 PolarHBondContact N-O 3.45Å; I6-L19 PolarHBondContact O-N 2.76Å; I8-L19 HydrophobicContact CD1-CD1 4.27Å; L19-L24 HydrophobicContact CD2-CD2 4.19Å; L19-L24 HydrophobicContact CD2-CG 3.84Å; L19-V30 HydrophobicContact CD1-CG2 4.47Å; L19-L47 HydrophobicContact CD1-CD2 4.29Å; L19-L47 HydrophobicContact CD2-CD2 4.45Å |
| 20 | D | 79.5 | Confident | 73.3 | Confident | 105 Ų | 105 | 88.2 Ų | 88.2 | 56% | 0.561 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 127.8 | -177.7 | -79.1 | -33.9 | 0 | 0 | 0 | 113.3 | D22 Q23 | D20-D22 PolarHBondContact O-N 3.05Å; D20-Q23 PolarHBondContact O-N 2.99Å; D20-Q23 VanDerWaalsContact O-N 3.13Å |
| 21 | F | 74.1 | Confident | 73.7 | Confident | 31 Ų | 31 | 87 Ų | 87 | 14% | 0.136 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -8.4 | -177.5 | -60.7 | -33.3 | 0 | 0 | 0 | 115.1 | R3 G4 I6 L24 E50 Q54 | R3-F21 HydrophobicContact CB-CE2 4.36Å; R3-F21 WeakPolarHBondContact O-CD2 3.12Å; R3-F21 WeakPolarHBondContact O-CE2 3.12Å; G4-F21 WeakPolarHBondContact O-CB 3.26Å; G4-F21 WeakPolarHBondContact O-CD2 3.48Å; G4-F21 WeakPolarHBondContact O-CG 3.43Å; G4-F21 PolarHBondContact O-N 3.4Å; I6-F21 HydrophobicContact CB-CE1 3.64Å; I6-F21 HydrophobicContact CB-CZ 3.68Å; I6-F21 HydrophobicContact CG2-CE1 3.72Å; I6-F21 HydrophobicContact CG2-CZ 4.29Å; F21-L24 HydrophobicContact CB-CD1 4.4Å; F21-L24 WeakPolarHBondContact O-CD1 3.44Å; F21-E50 HydrophobicContact CD1-CB 4.16Å; F21-E50 HydrophobicContact CD1-CG 3.71Å; F21-E50 HydrophobicContact CD2-CG 4.1Å; F21-E50 HydrophobicContact CE1-CB 4.44Å; F21-E50 HydrophobicContact CE1-CG 3.62Å; F21-E50 HydrophobicContact CE2-CG 4.03Å; F21-E50 HydrophobicContact CG-CB 4.44Å; F21-E50 HydrophobicContact CG-CG 3.93Å; F21-E50 HydrophobicContact CZ-CG 3.77Å; F21-Q54 PolarHBondContact O-NE2 3.36Å |
| 22 | D | 74.1 | Confident | 74.4 | Confident | 154 Ų | 154 | 83.1 Ų | 83.1 | 82% | 0.824 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -17.9 | 172.6 | -73.2 | -27.1 | 0 | 0 | 0 | 112.5 | D20 | D20-D22 PolarHBondContact O-N 3.05Š|
| 23 | Q | 71.8 | Confident | 75.3 | Confident | 168 Ų | 168 | 78.9 Ų | 78.9 | 79% | 0.785 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -137.3 | 46.5 | -174.4 | -61.1 | -170.8 | 27.8 | 0 | 0 | 113.1 | D20 | D20-Q23 PolarHBondContact O-N 2.99Å; D20-Q23 VanDerWaalsContact O-N 3.13Å |
| 24 | L | 75.4 | Confident | 76.2 | Confident | 7 Ų | 7 | 75.3 Ų | 75.3 | 4% | 0.037 | 39% | 0.388 | C | S | . | . | trans | -59.1 | 128.3 | 175.1 | -76 | 108.1 | 0 | 0 | 0 | 112.2 | L19 F21 L47 E50 Y51 K56 | L19-L24 HydrophobicContact CD2-CD2 4.19Å; L19-L24 HydrophobicContact CD2-CG 3.84Å; F21-L24 HydrophobicContact CB-CD1 4.4Å; F21-L24 WeakPolarHBondContact O-CD1 3.44Å; L24-L47 HydrophobicContact CD2-CD2 3.85Å; L24-E50 HydrophobicContact CD1-CB 4.31Å; L24-Y51 HydrophobicContact CB-CD1 4.49Å; L24-Y51 HydrophobicContact CB-CE1 3.86Å; L24-Y51 HydrophobicContact CD2-CD1 4.38Å; L24-Y51 HydrophobicContact CD2-CD2 3.78Å; L24-Y51 HydrophobicContact CD2-CE1 4.11Å; L24-Y51 HydrophobicContact CD2-CE2 3.46Å; L24-Y51 VanDerWaalsContact CD2-CE2 3.46Å; L24-Y51 HydrophobicContact CD2-CG 4.22Å; L24-K56 PolarHBondContact O-NZ 3.33Å | ||
| 25 | P | 77.8 | Confident | 77.3 | Confident | 46 Ų | 46 | 71 Ų | 71 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | trans | -72.1 | -168.7 | 177.5 | 31 | -34.2 | 0 | 0 | 0 | 112.1 | V30 Y51 | P25-V30 HydrophobicContact CG-CG2 3.77Å; P25-Y51 PolarHBondContact O-OH 3.07Å | ||
| 26 | E | 78.5 | Confident | 78.1 | Confident | 101 Ų | 101 | 69.9 Ų | 69.9 | 47% | 0.472 | 36% | 0.356 | S | S | . | . | trans | -76.8 | 146.9 | -176.8 | -157.1 | 68.6 | 170.8 | 0 | 0 | 111.7 | D28 E29 V30 | E26-D28 VanDerWaalsContact C-N 3.29Å; E26-D28 PolarHBondContact O-N 3.48Å; E26-E29 PolarHBondContact O-N 2.86Å; E26-E29 VanDerWaalsContact O-N 3.11Å; E26-V30 PolarHBondContact O-N 3.26Å | ||
| 27 | G | 74.6 | Confident | 78.3 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.6 | -35.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E29 V30 I31 E59 | G27-E29 VanDerWaalsContact C-N 3.31Å; G27-E29 PolarHBondContact O-N 3.4Å; G27-V30 PolarHBondContact O-N 2.96Å; G27-I31 WeakPolarHBondContact O-CB 3.2Å; G27-I31 WeakPolarHBondContact O-CD1 3.48Å; G27-I31 WeakPolarHBondContact O-CG1 3.42Å; G27-I31 PolarHBondContact O-N 2.75Å; G27-E59 WeakPolarHBondContact CA-OE2 3.04Å; G27-E59 PolarHBondContact N-OE2 3.15Å; G27-E59 VanDerWaalsContact N-OE2 3.16Å |
| 28 | D | 80.1 | Confident | 78.3 | Confident | 102 Ų | 102 | 69.9 Ų | 69.9 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.6 | -31.9 | 179.7 | -61.7 | -25.6 | 0 | 0 | 0 | 112.3 | E26 S32 K62 | E26-D28 VanDerWaalsContact C-N 3.29Å; E26-D28 PolarHBondContact O-N 3.48Å; D28-S32 WeakPolarHBondContact O-CB 3.22Å; D28-S32 PolarHBondContact O-N 2.87Å; D28-S32 VanDerWaalsContact O-N 3.09Å; D28-K62 IonicContact OD1-NZ 3.67Å |
| 29 | E | 80.7 | Confident | 78.4 | Confident | 115 Ų | 115 | 64.2 Ų | 64.2 | 54% | 0.537 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.6 | -43.8 | 174.4 | -60 | -177.2 | 147.5 | 0 | 0 | 110.6 | E26 G27 S32 I33 | E26-E29 PolarHBondContact O-N 2.86Å; E26-E29 VanDerWaalsContact O-N 3.11Å; G27-E29 VanDerWaalsContact C-N 3.31Å; G27-E29 PolarHBondContact O-N 3.4Å; E29-S32 WeakPolarHBondContact O-CB 3.44Å; E29-S32 PolarHBondContact O-N 2.91Å; E29-I33 WeakPolarHBondContact O-CG1 3.47Å; E29-I33 PolarHBondContact O-N 3.38Å |
| 30 | V | 80.7 | Confident | 78.6 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 176.7 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | L19 P25 E26 G27 S32 I33 L34 L47 Y51 L63 | L19-V30 HydrophobicContact CD1-CG2 4.47Å; P25-V30 HydrophobicContact CG-CG2 3.77Å; E26-V30 PolarHBondContact O-N 3.26Å; G27-V30 PolarHBondContact O-N 2.96Å; V30-S32 PolarHBondContact O-N 3.34Å; V30-I33 PolarHBondContact O-N 2.8Å; V30-L34 HydrophobicContact CG1-CD1 3.64Å; V30-L34 HydrophobicContact CG1-CG 4.02Å; V30-L34 WeakPolarHBondContact O-CB 3.44Å; V30-L34 VanDerWaalsContact O-CG 3.25Å; V30-L34 WeakPolarHBondContact O-CG 3.17Å; V30-L34 PolarHBondContact O-N 3.42Å; V30-L47 HydrophobicContact CG1-CD1 4.06Å; V30-Y51 VanDerWaalsContact CG2-OH 3.25Å; V30-Y51 WeakPolarHBondContact CG2-OH 3.47Å; V30-L63 HydrophobicContact CG1-CD1 4.29Å |
| 31 | I | 82.4 | Confident | 78.7 | Confident | 23 Ų | 23 | 62.7 Ų | 62.7 | 12% | 0.118 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.5 | -41.8 | 174.6 | -69.2 | 162.2 | 0 | 0 | 0 | 110.2 | G27 K35 W44 K62 L63 A66 | G27-I31 WeakPolarHBondContact O-CB 3.2Å; G27-I31 WeakPolarHBondContact O-CD1 3.48Å; G27-I31 WeakPolarHBondContact O-CG1 3.42Å; G27-I31 PolarHBondContact O-N 2.75Å; I31-K35 WeakPolarHBondContact O-CB 3.41Å; I31-K35 PolarHBondContact O-N 2.62Å; I31-K35 VanDerWaalsContact O-N 3.1Å; I31-W44 HydrophobicContact CG1-CZ3 4.29Å; I31-W44 HydrophobicContact CG2-CH2 4.41Å; I31-W44 HydrophobicContact CG2-CZ3 4.35Å; I31-K62 HydrophobicContact CD1-CB 4.31Å; I31-L63 HydrophobicContact CG1-CD1 3.66Å; I31-A66 HydrophobicContact CD1-CB 3.96Å; I31-A66 HydrophobicContact CG1-CB 4.13Å; I31-A66 HydrophobicContact CG2-CB 4.03Å |
| 32 | S | 82.1 | Confident | 79 | Confident | 56 Ų | 56 | 65.4 Ų | 65.4 | 39% | 0.392 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 177.8 | -169.1 | 0 | 0 | 0 | 0 | 112.7 | D28 E29 V30 Q36 | D28-S32 WeakPolarHBondContact O-CB 3.22Å; D28-S32 PolarHBondContact O-N 2.87Å; D28-S32 VanDerWaalsContact O-N 3.09Å; E29-S32 WeakPolarHBondContact O-CB 3.44Å; E29-S32 PolarHBondContact O-N 2.91Å; V30-S32 PolarHBondContact O-N 3.34Å; S32-Q36 VanDerWaalsContact O-CG 3.28Å; S32-Q36 WeakPolarHBondContact O-CG 3.3Å; S32-Q36 PolarHBondContact O-N 3.25Å; S32-Q36 PolarHBondContact O-NE2 3.17Å; S32-Q36 PolarHBondContact OG-NE2 2.95Å |
| 33 | I | 81.2 | Confident | 79.4 | Confident | 61 Ų | 61 | 58.5 Ų | 58.5 | 31% | 0.313 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.9 | -52.7 | 178.3 | -66.5 | 161 | 0 | 0 | 0 | 110.7 | I17 E29 V30 K35 Q36 E37 | I17-I33 HydrophobicContact CD1-CG2 4.49Å; E29-I33 WeakPolarHBondContact O-CG1 3.47Å; E29-I33 PolarHBondContact O-N 3.38Å; V30-I33 PolarHBondContact O-N 2.8Å; I33-K35 PolarHBondContact O-N 3.25Å; I33-Q36 PolarHBondContact O-N 2.78Å; I33-E37 PolarHBondContact O-N 3.3Å; I33-E37 VanDerWaalsContact O-N 3.14Å |
| 34 | L | 80.6 | Confident | 80.1 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -30.1 | -177 | -67.6 | 177.1 | 0 | 0 | 0 | 112.8 | I8 V30 H38 T39 I43 W44 L47 L63 | I8-L34 HydrophobicContact CD1-CD2 4.04Å; I8-L34 HydrophobicContact CG2-CD2 4.23Å; V30-L34 HydrophobicContact CG1-CD1 3.64Å; V30-L34 HydrophobicContact CG1-CG 4.02Å; V30-L34 WeakPolarHBondContact O-CB 3.44Å; V30-L34 VanDerWaalsContact O-CG 3.25Å; V30-L34 WeakPolarHBondContact O-CG 3.17Å; V30-L34 PolarHBondContact O-N 3.42Å; L34-H38 PolarHBondContact O-N 2.9Å; L34-T39 WeakPolarHBondContact CB-OG1 3.27Å; L34-T39 HydrophobicContact CD2-CG2 3.86Å; L34-T39 PolarHBondContact O-N 3.46Å; L34-T39 VanDerWaalsContact O-N 3.15Å; L34-T39 PolarHBondContact O-OG1 3.44Å; L34-I43 HydrophobicContact CD2-CG2 4.23Å; L34-W44 HydrophobicContact CB-CD2 4.17Å; L34-W44 HydrophobicContact CB-CH2 3.88Å; L34-W44 HydrophobicContact CB-CZ2 3.4Å; L34-W44 VanDerWaalsContact CB-CZ2 3.4Å; L34-W44 HydrophobicContact CB-CZ3 4.44Å; L34-W44 HydrophobicContact CD1-CD2 3.67Å; L34-W44 HydrophobicContact CD1-CE3 3.9Å; L34-W44 HydrophobicContact CD1-CG 3.95Å; L34-W44 HydrophobicContact CD1-CZ2 4.41Å; L34-W44 HydrophobicContact CD1-CZ3 4.36Å; L34-L47 HydrophobicContact CD1-CD1 3.82Å; L34-L47 HydrophobicContact CD2-CD1 3.89Å; L34-L47 HydrophobicContact CG-CD1 4.32Å; L34-L63 HydrophobicContact CD1-CD1 3.97Å |
| 35 | K | 80.6 | Confident | 80.6 | Confident | 89 Ų | 89 | 51.2 Ų | 51.2 | 39% | 0.387 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -77 | -42.2 | 175.9 | -173.2 | 173.6 | -170.9 | 169 | 0 | 112.9 | I31 I33 H38 D70 | I31-K35 WeakPolarHBondContact O-CB 3.41Å; I31-K35 PolarHBondContact O-N 2.62Å; I31-K35 VanDerWaalsContact O-N 3.1Å; I33-K35 PolarHBondContact O-N 3.25Å; K35-H38 PolarHBondContact O-CD2 2.87Å; K35-H38 PolarHBondContact O-N 2.84Å; K35-D70 HydrophobicContact CD-CB 4.11Å; K35-D70 VanDerWaalsContact CE-OD1 3.26Å; K35-D70 WeakPolarHBondContact CE-OD1 3.35Å; K35-D70 WeakPolarHBondContact CE-OD2 3.5Å; K35-D70 IonicContact NZ-OD1 3.37Å; K35-D70 PolarHBondContact NZ-OD1 2.92Å; K35-D70 IonicContact NZ-OD2 3.55Å; K35-D70 PolarHBondContact NZ-OD2 3.46Å |
| 36 | Q | 80.1 | Confident | 80.9 | Confident | 121 Ų | 121 | 50.4 Ų | 50.4 | 57% | 0.565 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.5 | -43.8 | 177.4 | -76.6 | 172 | 68.7 | 0 | 0 | 111.7 | S32 I33 H38 | S32-Q36 VanDerWaalsContact O-CG 3.28Å; S32-Q36 WeakPolarHBondContact O-CG 3.3Å; S32-Q36 PolarHBondContact O-N 3.25Å; S32-Q36 PolarHBondContact O-NE2 3.17Å; S32-Q36 PolarHBondContact OG-NE2 2.95Å; I33-Q36 PolarHBondContact O-N 2.78Å; Q36-H38 VanDerWaalsContact C-N 3.33Å; Q36-H38 PolarHBondContact O-N 3.3Å |
| 37 | E | 78.2 | Confident | 81.2 | Confident | 51 Ų | 51 | 45.6 Ų | 45.6 | 24% | 0.238 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -2.3 | -179.1 | -58.7 | -53.8 | 134.8 | 0 | 0 | 114.1 | L10 R11 I33 T39 | L10-E37 WeakPolarHBondContact CA-OE2 3.46Å; L10-E37 HydrophobicContact CD2-CG 3.91Å; R11-E37 WeakPolarHBondContact CB-OE2 3.3Å; R11-E37 PolarHBondContact N-OE2 2.81Å; I33-E37 PolarHBondContact O-N 3.3Å; I33-E37 VanDerWaalsContact O-N 3.14Å; E37-T39 VanDerWaalsContact C-N 3.28Å; E37-T39 HydrophobicContact CB-CG2 3.91Å; E37-T39 PolarHBondContact O-N 3.02Å |
| 38 | H | 76.1 | Confident | 81.8 | Confident | 86 Ų | 86 | 45.5 Ų | 45.5 | 40% | 0.398 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 44.1 | -176.6 | -75.1 | -119.7 | 0 | 0 | 0 | 113.8 | R11 L34 K35 Q36 N72 | R11-H38 PolarHBondContact NH1-CD2 2.87Å; R11-H38 PolarHBondContact NH1-NE2 3.18Å; R11-H38 VanDerWaalsContact NH1-NE2 3.17Å; R11-H38 PolarHBondContact NH2-CD2 3.44Å; R11-H38 PolarHBondContact NH2-CE1 3.28Å; R11-H38 PolarHBondContact NH2-ND1 3.36Å; R11-H38 PolarHBondContact NH2-NE2 3.45Å; L34-H38 PolarHBondContact O-N 2.9Å; K35-H38 PolarHBondContact O-CD2 2.87Å; K35-H38 PolarHBondContact O-N 2.84Å; Q36-H38 VanDerWaalsContact C-N 3.33Å; Q36-H38 PolarHBondContact O-N 3.3Å; H38-N72 HydrophobicContact CB-CB 4.47Å; H38-N72 PolarHBondContact O-ND2 3.47Å |
| 39 | T | 78.8 | Confident | 82 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | trans | -60 | 153.1 | -175.1 | 54.9 | 0 | 0 | 0 | 0 | 114.2 | I8 L34 E37 W44 | I8-T39 HydrophobicContact CG2-CG2 3.59Å; L34-T39 WeakPolarHBondContact CB-OG1 3.27Å; L34-T39 HydrophobicContact CD2-CG2 3.86Å; L34-T39 PolarHBondContact O-N 3.46Å; L34-T39 VanDerWaalsContact O-N 3.15Å; L34-T39 PolarHBondContact O-OG1 3.44Å; E37-T39 VanDerWaalsContact C-N 3.28Å; E37-T39 HydrophobicContact CB-CG2 3.91Å; E37-T39 PolarHBondContact O-N 3.02Å; T39-W44 PolarHBondContact OG1-NE1 3.09Å | ||
| 40 | Q | 82.6 | Confident | 82.3 | Confident | 93 Ų | 93 | 40.4 Ų | 40.4 | 44% | 0.435 | 20% | 0.203 | S | C | . | . | trans | -70.4 | 144.9 | 177 | -65.5 | -177.2 | 18.5 | 0 | 0 | 111.6 | H42 I43 Y75 | Q40-H42 PolarHBondContact O-N 3.38Å; Q40-H42 PolarHBondContact OE1-CE1 2.84Å; Q40-H42 VanDerWaalsContact OE1-CE1 3.24Å; Q40-I43 VanDerWaalsContact O-CB 3.3Å; Q40-I43 WeakPolarHBondContact O-CB 3.48Å; Q40-I43 WeakPolarHBondContact O-CG1 3.32Å; Q40-I43 PolarHBondContact O-N 3.18Å; Q40-Y75 HydrophobicContact CG-CD1 4.5Å | ||
| 41 | L | 82.1 | Confident | 82.5 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.4 | -28.9 | -164.4 | -159 | 70.2 | 0 | 0 | 0 | 113.7 | I43 W44 I45 A67 Y75 D81 Q82 C85 | L41-I43 PolarHBondContact O-N 2.91Å; L41-I43 VanDerWaalsContact O-N 3.11Å; L41-W44 HydrophobicContact CD1-CB 4.39Å; L41-W44 HydrophobicContact CD1-CG 4.11Å; L41-W44 WeakPolarHBondContact O-CB 3.34Å; L41-W44 PolarHBondContact O-N 2.83Å; L41-I45 PolarHBondContact O-N 3.35Å; L41-I45 VanDerWaalsContact O-N 3.12Å; L41-A67 HydrophobicContact CD1-CB 3.91Å; L41-Y75 WeakPolarHBondContact CB-OH 3.49Å; L41-Y75 PolarHBondContact N-OH 3.33Å; L41-D81 HydrophobicContact CB-CB 3.92Å; L41-D81 HydrophobicContact CD2-CB 4.11Å; L41-D81 HydrophobicContact CG-CB 4.43Å; L41-Q82 HydrophobicContact CD2-CB 4.18Å; L41-C85 HydrophobicContact CD2-CB 4.43Å |
| 42 | H | 80.5 | Confident | 82.6 | Confident | 88 Ų | 88 | 43.9 Ų | 43.9 | 41% | 0.407 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -55 | -27.4 | 170 | 73.3 | -96.4 | 0 | 0 | 0 | 113.8 | Q40 A46 D81 | Q40-H42 PolarHBondContact O-N 3.38Å; Q40-H42 PolarHBondContact OE1-CE1 2.84Å; Q40-H42 VanDerWaalsContact OE1-CE1 3.24Å; H42-A46 WeakPolarHBondContact O-CB 3.46Å; H42-A46 PolarHBondContact O-N 2.64Å; H42-D81 WeakPolarHBondContact CB-OD2 3.28Å; H42-D81 PolarHBondContact N-OD2 3.19Å; H42-D81 VanDerWaalsContact N-OD2 3.16Å; H42-D81 IonicContact ND1-OD2 3.94Å |
| 43 | I | 83.5 | Confident | 82.8 | Confident | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.2 | -40.8 | 177.1 | -53.2 | 178.9 | 0 | 0 | 0 | 110.2 | I6 I8 L34 Q40 L41 A46 L47 | I6-I43 HydrophobicContact CD1-CG2 3.94Å; I8-I43 HydrophobicContact CG1-CG2 4.31Å; L34-I43 HydrophobicContact CD2-CG2 4.23Å; Q40-I43 VanDerWaalsContact O-CB 3.3Å; Q40-I43 WeakPolarHBondContact O-CB 3.48Å; Q40-I43 WeakPolarHBondContact O-CG1 3.32Å; Q40-I43 PolarHBondContact O-N 3.18Å; L41-I43 PolarHBondContact O-N 2.91Å; L41-I43 VanDerWaalsContact O-N 3.11Å; I43-A46 PolarHBondContact O-N 2.84Å; I43-L47 HydrophobicContact CG2-CD1 4.16Å; I43-L47 WeakPolarHBondContact O-CB 3.49Å; I43-L47 PolarHBondContact O-N 2.63Å |
| 44 | W | 86 | Confident | 82.9 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 173.6 | -63.4 | 65.7 | 0 | 0 | 0 | 110.8 | I31 L34 T39 L41 A48 L63 A66 A67 | I31-W44 HydrophobicContact CG1-CZ3 4.29Å; I31-W44 HydrophobicContact CG2-CH2 4.41Å; I31-W44 HydrophobicContact CG2-CZ3 4.35Å; L34-W44 HydrophobicContact CB-CD2 4.17Å; L34-W44 HydrophobicContact CB-CH2 3.88Å; L34-W44 HydrophobicContact CB-CZ2 3.4Å; L34-W44 VanDerWaalsContact CB-CZ2 3.4Å; L34-W44 HydrophobicContact CB-CZ3 4.44Å; L34-W44 HydrophobicContact CD1-CD2 3.67Å; L34-W44 HydrophobicContact CD1-CE3 3.9Å; L34-W44 HydrophobicContact CD1-CG 3.95Å; L34-W44 HydrophobicContact CD1-CZ2 4.41Å; L34-W44 HydrophobicContact CD1-CZ3 4.36Å; T39-W44 PolarHBondContact OG1-NE1 3.09Å; L41-W44 HydrophobicContact CD1-CB 4.39Å; L41-W44 HydrophobicContact CD1-CG 4.11Å; L41-W44 WeakPolarHBondContact O-CB 3.34Å; L41-W44 PolarHBondContact O-N 2.83Å; W44-A48 VanDerWaalsContact O-CB 3.27Å; W44-A48 WeakPolarHBondContact O-CB 3.43Å; W44-A48 PolarHBondContact O-N 3.44Å; W44-L63 HydrophobicContact CE3-CD1 3.57Å; W44-L63 HydrophobicContact CE3-CG 4.34Å; W44-L63 HydrophobicContact CZ3-CD1 3.94Å; W44-A66 HydrophobicContact CZ3-CB 4.26Å; W44-A67 HydrophobicContact CB-CB 4.21Å; W44-A67 HydrophobicContact CD2-CB 4.08Å; W44-A67 HydrophobicContact CE3-CB 3.71Å; W44-A67 HydrophobicContact CG-CB 4.34Å; W44-A67 HydrophobicContact CZ3-CB 4.42Å |
| 45 | I | 85.4 | Confident | 82.9 | Confident | 19 Ų | 19 | 51.3 Ų | 51.3 | 10% | 0.097 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 177.6 | -59 | 170.7 | 0 | 0 | 0 | 110.9 | L41 A48 L49 D81 T84 C85 | L41-I45 PolarHBondContact O-N 3.35Å; L41-I45 VanDerWaalsContact O-N 3.12Å; I45-A48 PolarHBondContact O-N 3.39Å; I45-L49 HydrophobicContact CG2-CD1 4.06Å; I45-L49 HydrophobicContact CG2-CG 4.43Å; I45-L49 VanDerWaalsContact O-CG 3.31Å; I45-L49 WeakPolarHBondContact O-CG 3.15Å; I45-L49 PolarHBondContact O-N 2.98Å; I45-D81 HydrophobicContact CD1-CB 4.48Å; I45-T84 WeakPolarHBondContact CD1-OG1 3.27Å; I45-C85 WeakPolarHBondContact CG1-SG 3.5Å |
| 46 | A | 84.1 | Confident | 83.2 | Confident | 29 Ų | 29 | 50.3 Ų | 50.3 | 24% | 0.24 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.9 | -51.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I6 H42 I43 A48 L49 E50 | I6-A46 HydrophobicContact CD1-CB 3.67Å; H42-A46 WeakPolarHBondContact O-CB 3.46Å; H42-A46 PolarHBondContact O-N 2.64Å; I43-A46 PolarHBondContact O-N 2.84Å; A46-A48 VanDerWaalsContact C-N 3.33Å; A46-A48 PolarHBondContact O-N 3.17Å; A46-L49 PolarHBondContact O-N 2.63Å; A46-L49 VanDerWaalsContact O-N 3.15Å; A46-E50 PolarHBondContact O-N 2.83Å; A46-E50 VanDerWaalsContact O-N 3.16Å |
| 47 | L | 84.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.4 | -44.7 | 175.8 | -79.1 | 164 | 0 | 0 | 0 | 111.9 | I6 I8 L19 L24 V30 L34 I43 L49 E50 Y51 L63 | I6-L47 HydrophobicContact CG2-CD2 3.73Å; I6-L47 HydrophobicContact CG2-CG 4.16Å; I8-L47 HydrophobicContact CD1-CD1 4.3Å; L19-L47 HydrophobicContact CD1-CD2 4.29Å; L19-L47 HydrophobicContact CD2-CD2 4.45Å; L24-L47 HydrophobicContact CD2-CD2 3.85Å; V30-L47 HydrophobicContact CG1-CD1 4.06Å; L34-L47 HydrophobicContact CD1-CD1 3.82Å; L34-L47 HydrophobicContact CD2-CD1 3.89Å; L34-L47 HydrophobicContact CG-CD1 4.32Å; I43-L47 HydrophobicContact CG2-CD1 4.16Å; I43-L47 WeakPolarHBondContact O-CB 3.49Å; I43-L47 PolarHBondContact O-N 2.63Å; L47-L49 PolarHBondContact O-N 2.99Å; L47-E50 PolarHBondContact O-N 3.24Å; L47-E50 VanDerWaalsContact O-N 3.16Å; L47-Y51 VanDerWaalsContact O-CD2 3.28Å; L47-Y51 WeakPolarHBondContact O-CD2 3.26Å; L47-Y51 PolarHBondContact O-N 3.5Å; L47-L63 HydrophobicContact CB-CD2 4.02Å |
| 48 | A | 86.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.7 | -48.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | W44 I45 A46 E50 Y51 Y52 F60 L63 L64 | W44-A48 VanDerWaalsContact O-CB 3.27Å; W44-A48 WeakPolarHBondContact O-CB 3.43Å; W44-A48 PolarHBondContact O-N 3.44Å; I45-A48 PolarHBondContact O-N 3.39Å; A46-A48 VanDerWaalsContact C-N 3.33Å; A46-A48 PolarHBondContact O-N 3.17Å; A48-E50 PolarHBondContact O-N 2.82Å; A48-Y51 WeakPolarHBondContact O-CB 3.48Å; A48-Y51 PolarHBondContact O-N 3.49Å; A48-Y51 VanDerWaalsContact O-N 3.14Å; A48-Y52 PolarHBondContact O-N 3.5Å; A48-F60 HydrophobicContact CB-CD2 3.65Å; A48-F60 HydrophobicContact CB-CE2 3.84Å; A48-F60 WeakPolarHBondContact O-CD2 3.38Å; A48-L63 HydrophobicContact CB-CD2 3.95Å; A48-L64 HydrophobicContact CB-CD1 4.4Å; A48-L64 HydrophobicContact CB-CD2 3.93Å; A48-L64 HydrophobicContact CB-CG 3.97Å |
| 49 | L | 85.6 | Confident | 84.1 | Confident | 73 Ų | 73 | 46.5 Ų | 46.5 | 38% | 0.382 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.5 | -25.8 | 179.2 | -71.1 | 172.7 | 0 | 0 | 0 | 113.6 | I45 A46 L47 K53 | I45-L49 HydrophobicContact CG2-CD1 4.06Å; I45-L49 HydrophobicContact CG2-CG 4.43Å; I45-L49 VanDerWaalsContact O-CG 3.31Å; I45-L49 WeakPolarHBondContact O-CG 3.15Å; I45-L49 PolarHBondContact O-N 2.98Å; A46-L49 PolarHBondContact O-N 2.63Å; A46-L49 VanDerWaalsContact O-N 3.15Å; L47-L49 PolarHBondContact O-N 2.99Å; L49-K53 VanDerWaalsContact O-CE 3.23Å; L49-K53 WeakPolarHBondContact O-CE 3.43Å; L49-K53 WeakPolarHBondContact O-CG 3.48Å; L49-K53 PolarHBondContact O-N 3.01Å; L49-K53 VanDerWaalsContact O-N 3.13Å |
| 50 | E | 85.8 | Confident | 84.5 | Confident | 37 Ų | 37 | 46.4 Ų | 46.4 | 17% | 0.173 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -77.5 | -43 | 170.8 | -54.3 | -46.8 | 140.6 | 0 | 0 | 112.6 | F21 L24 A46 L47 A48 Y52 K53 Q54 | F21-E50 HydrophobicContact CD1-CB 4.16Å; F21-E50 HydrophobicContact CD1-CG 3.71Å; F21-E50 HydrophobicContact CD2-CG 4.1Å; F21-E50 HydrophobicContact CE1-CB 4.44Å; F21-E50 HydrophobicContact CE1-CG 3.62Å; F21-E50 HydrophobicContact CE2-CG 4.03Å; F21-E50 HydrophobicContact CG-CB 4.44Å; F21-E50 HydrophobicContact CG-CG 3.93Å; F21-E50 HydrophobicContact CZ-CG 3.77Å; L24-E50 HydrophobicContact CD1-CB 4.31Å; A46-E50 PolarHBondContact O-N 2.83Å; A46-E50 VanDerWaalsContact O-N 3.16Å; L47-E50 PolarHBondContact O-N 3.24Å; L47-E50 VanDerWaalsContact O-N 3.16Å; A48-E50 PolarHBondContact O-N 2.82Å; E50-Y52 PolarHBondContact O-N 3.45Å; E50-K53 WeakPolarHBondContact O-CA 3.13Å; E50-K53 PolarHBondContact O-N 3.25Å; E50-K53 WeakPolarHBondContact OE1-CE 3.21Å; E50-K53 IonicContact OE1-NZ 3.8Å; E50-K53 PolarHBondContact OE1-NZ 3.35Å; E50-K53 WeakPolarHBondContact OE2-CE 3.14Å; E50-K53 IonicContact OE2-NZ 3.2Å; E50-K53 PolarHBondContact OE2-NZ 3.24Å; E50-Q54 PolarHBondContact O-N 3.35Å |
| 51 | Y | 85.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -53.4 | -43.1 | 169.3 | -82.2 | -72.1 | 0 | 0 | 0 | 111.7 | L24 P25 V30 L47 A48 Q54 G55 K56 E59 L63 | L24-Y51 HydrophobicContact CB-CD1 4.49Å; L24-Y51 HydrophobicContact CB-CE1 3.86Å; L24-Y51 HydrophobicContact CD2-CD1 4.38Å; L24-Y51 HydrophobicContact CD2-CD2 3.78Å; L24-Y51 HydrophobicContact CD2-CE1 4.11Å; L24-Y51 HydrophobicContact CD2-CE2 3.46Å; L24-Y51 VanDerWaalsContact CD2-CE2 3.46Å; L24-Y51 HydrophobicContact CD2-CG 4.22Å; P25-Y51 PolarHBondContact O-OH 3.07Å; V30-Y51 VanDerWaalsContact CG2-OH 3.25Å; V30-Y51 WeakPolarHBondContact CG2-OH 3.47Å; L47-Y51 VanDerWaalsContact O-CD2 3.28Å; L47-Y51 WeakPolarHBondContact O-CD2 3.26Å; L47-Y51 PolarHBondContact O-N 3.5Å; A48-Y51 WeakPolarHBondContact O-CB 3.48Å; A48-Y51 PolarHBondContact O-N 3.49Å; A48-Y51 VanDerWaalsContact O-N 3.14Å; Y51-Q54 PolarHBondContact O-N 3.02Å; Y51-G55 PolarHBondContact O-N 2.75Å; Y51-G55 VanDerWaalsContact O-N 3.12Å; Y51-K56 HydrophobicContact CD1-CB 3.95Å; Y51-K56 HydrophobicContact CD1-CD 3.62Å; Y51-K56 HydrophobicContact CD1-CG 4.42Å; Y51-K56 HydrophobicContact CE1-CD 3.88Å; Y51-K56 PolarHBondContact O-N 3.17Å; Y51-E59 HydrophobicContact CD1-CB 4Å; Y51-E59 HydrophobicContact CE1-CB 4.17Å; Y51-E59 HydrophobicContact CG-CB 4.47Å; Y51-L63 HydrophobicContact CD2-CD2 3.97Å; Y51-L63 HydrophobicContact CE2-CD2 4.08Å |
| 52 | Y | 85.4 | Confident | 84.9 | Confident | 97 Ų | 97 | 46.5 Ų | 46.5 | 38% | 0.38 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.8 | -37.6 | 175.6 | -175.6 | -95.5 | 0 | 0 | 0 | 112.6 | A48 E50 G55 F60 Y92 | A48-Y52 PolarHBondContact O-N 3.5Å; E50-Y52 PolarHBondContact O-N 3.45Å; Y52-G55 PolarHBondContact O-N 2.96Å; Y52-G55 VanDerWaalsContact O-N 3.11Å; Y52-F60 HydrophobicContact CD2-CD1 4.22Å; Y52-F60 HydrophobicContact CD2-CE1 4.38Å; Y52-F60 HydrophobicContact CD2-CG 4.3Å; Y52-Y92 HydrophobicContact CD2-CD2 4.25Å; Y52-Y92 HydrophobicContact CD2-CE2 4.44Å; Y52-Y92 AromaticContact CE2-CD2 3.89Å; Y52-Y92 HydrophobicContact CE2-CD2 3.89Å; Y52-Y92 HydrophobicContact CE2-CE2 4.1Å |
| 53 | K | 84.6 | Confident | 85.2 | Confident | 142 Ų | 142 | 42.4 Ų | 42.4 | 62% | 0.617 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -68.6 | -33.9 | 174.7 | -85.9 | 179.7 | -96.6 | 165 | 0 | 113.2 | L49 E50 G55 | L49-K53 VanDerWaalsContact O-CE 3.23Å; L49-K53 WeakPolarHBondContact O-CE 3.43Å; L49-K53 WeakPolarHBondContact O-CG 3.48Å; L49-K53 PolarHBondContact O-N 3.01Å; L49-K53 VanDerWaalsContact O-N 3.13Å; E50-K53 WeakPolarHBondContact O-CA 3.13Å; E50-K53 PolarHBondContact O-N 3.25Å; E50-K53 WeakPolarHBondContact OE1-CE 3.21Å; E50-K53 IonicContact OE1-NZ 3.8Å; E50-K53 PolarHBondContact OE1-NZ 3.35Å; E50-K53 WeakPolarHBondContact OE2-CE 3.14Å; E50-K53 IonicContact OE2-NZ 3.2Å; E50-K53 PolarHBondContact OE2-NZ 3.24Å; K53-G55 PolarHBondContact O-N 3.48Å |
| 54 | Q | 84.4 | Confident | 85.3 | Confident | 82 Ų | 82 | 42 Ų | 42 | 38% | 0.383 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.5 | -18.2 | 169 | -67.4 | -164.5 | -8.8 | 0 | 0 | 113 | F21 E50 Y51 K56 | F21-Q54 PolarHBondContact O-NE2 3.36Å; E50-Q54 PolarHBondContact O-N 3.35Å; Y51-Q54 PolarHBondContact O-N 3.02Å; Q54-K56 HydrophobicContact CB-CG 4.44Å |
| 55 | G | 81.1 | Confident | 85.3 | Confident | 50 Ų | 50 | 44.2 Ų | 44.2 | 52% | 0.515 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 9.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y51 Y52 K53 T57 | Y51-G55 PolarHBondContact O-N 2.75Å; Y51-G55 VanDerWaalsContact O-N 3.12Å; Y52-G55 PolarHBondContact O-N 2.96Å; Y52-G55 VanDerWaalsContact O-N 3.11Å; K53-G55 PolarHBondContact O-N 3.48Å; G55-T57 VanDerWaalsContact C-N 3.26Å; G55-T57 PolarHBondContact O-N 3.41Å |
| 56 | K | 85.9 | Confident | 85.2 | Confident | 68 Ų | 68 | 44 Ų | 44 | 30% | 0.296 | 23% | 0.225 | S | C | . | . | trans | -75.8 | 73.5 | 172 | -71.3 | -177.3 | 172.6 | -169.7 | 0 | 109.7 | L24 Y51 Q54 F60 | L24-K56 PolarHBondContact O-NZ 3.33Å; Y51-K56 HydrophobicContact CD1-CB 3.95Å; Y51-K56 HydrophobicContact CD1-CD 3.62Å; Y51-K56 HydrophobicContact CD1-CG 4.42Å; Y51-K56 HydrophobicContact CE1-CD 3.88Å; Y51-K56 PolarHBondContact O-N 3.17Å; Q54-K56 HydrophobicContact CB-CG 4.44Å; K56-F60 PolarHBondContact O-N 3.27Å | ||
| 57 | T | 84.1 | Confident | 85.1 | Confident | 44 Ų | 44 | 42.6 Ų | 42.6 | 27% | 0.27 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -73.2 | -29.2 | -169.6 | 53.1 | 0 | 0 | 0 | 0 | 115.2 | G55 F60 V61 Y92 | G55-T57 VanDerWaalsContact C-N 3.26Å; G55-T57 PolarHBondContact O-N 3.41Å; T57-F60 WeakPolarHBondContact O-CB 3.25Å; T57-V61 WeakPolarHBondContact O-CG2 3.42Å; T57-V61 PolarHBondContact O-N 2.95Å; T57-Y92 WeakPolarHBondContact CB-OH 2.91Å; T57-Y92 HydrophobicContact CG2-CE2 4.15Å |
| 58 | E | 83.4 | Confident | 84.8 | Confident | 116 Ų | 116 | 45.7 Ų | 45.7 | 54% | 0.542 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69.5 | -46.6 | 177.3 | -57.3 | -50.3 | 117.8 | 0 | 0 | 111 | F60 V61 K62 | E58-F60 VanDerWaalsContact C-N 3.28Å; E58-F60 PolarHBondContact O-N 2.67Å; E58-V61 PolarHBondContact O-N 2.8Å; E58-K62 WeakPolarHBondContact O-CG 3.38Å; E58-K62 PolarHBondContact O-N 2.77Å |
| 59 | E | 85.7 | Confident | 84.4 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.7 | -34.2 | 177.4 | -53.2 | -46.3 | 104.5 | 0 | 0 | 112.1 | G27 Y51 V61 K62 L63 | G27-E59 WeakPolarHBondContact CA-OE2 3.04Å; G27-E59 PolarHBondContact N-OE2 3.15Å; G27-E59 VanDerWaalsContact N-OE2 3.16Å; Y51-E59 HydrophobicContact CD1-CB 4Å; Y51-E59 HydrophobicContact CE1-CB 4.17Å; Y51-E59 HydrophobicContact CG-CB 4.47Å; E59-V61 PolarHBondContact O-N 3.12Å; E59-K62 WeakPolarHBondContact OE1-CE 3.33Å; E59-K62 IonicContact OE1-NZ 3.32Å; E59-K62 PolarHBondContact OE1-NZ 3.04Å; E59-K62 WeakPolarHBondContact OE2-CD 3.37Å; E59-K62 IonicContact OE2-NZ 2.72Å; E59-K62 PolarHBondContact OE2-NZ 3.08Å; E59-L63 WeakPolarHBondContact O-CB 3.47Å; E59-L63 PolarHBondContact O-N 2.94Å |
| 60 | F | 88.2 | Confident | 83.6 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.8 | -44.8 | 169.8 | 169.5 | -98.2 | 0 | 0 | 0 | 112.7 | A48 Y52 K56 T57 E58 L64 Y92 | A48-F60 HydrophobicContact CB-CD2 3.65Å; A48-F60 HydrophobicContact CB-CE2 3.84Å; A48-F60 WeakPolarHBondContact O-CD2 3.38Å; Y52-F60 HydrophobicContact CD2-CD1 4.22Å; Y52-F60 HydrophobicContact CD2-CE1 4.38Å; Y52-F60 HydrophobicContact CD2-CG 4.3Å; K56-F60 PolarHBondContact O-N 3.27Å; T57-F60 WeakPolarHBondContact O-CB 3.25Å; E58-F60 VanDerWaalsContact C-N 3.28Å; E58-F60 PolarHBondContact O-N 2.67Å; F60-L64 HydrophobicContact CD2-CD1 4.23Å; F60-L64 HydrophobicContact CE1-CD1 3.89Å; F60-L64 HydrophobicContact CE2-CD1 3.56Å; F60-L64 HydrophobicContact CE2-CG 4.44Å; F60-L64 HydrophobicContact CZ-CD1 3.36Å; F60-L64 PolarHBondContact O-N 2.9Å; F60-Y92 AromaticContact CD1-CD2 3.78Å; F60-Y92 HydrophobicContact CD1-CD2 3.78Å; F60-Y92 HydrophobicContact CD1-CE2 4.17Å; F60-Y92 HydrophobicContact CD1-CG 4.04Å; F60-Y92 HydrophobicContact CE1-CD1 4.4Å; F60-Y92 AromaticContact CE1-CD2 3.58Å; F60-Y92 HydrophobicContact CE1-CD2 3.58Å; F60-Y92 HydrophobicContact CE1-CE2 4.42Å; F60-Y92 AromaticContact CE1-CG 3.59Å; F60-Y92 HydrophobicContact CE1-CG 3.59Å |
| 61 | V | 87.3 | Confident | 82.7 | Confident | 22 Ų | 22 | 50.1 Ų | 50.1 | 13% | 0.133 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.2 | -48.5 | 177.9 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | T57 E58 E59 L63 L64 E65 L89 Y92 Y93 | T57-V61 WeakPolarHBondContact O-CG2 3.42Å; T57-V61 PolarHBondContact O-N 2.95Å; E58-V61 PolarHBondContact O-N 2.8Å; E59-V61 PolarHBondContact O-N 3.12Å; V61-L63 VanDerWaalsContact C-N 3.31Å; V61-L63 PolarHBondContact O-N 3.41Å; V61-L64 PolarHBondContact O-N 2.92Å; V61-E65 HydrophobicContact CG1-CG 3.98Å; V61-E65 WeakPolarHBondContact O-CB 3.41Å; V61-E65 WeakPolarHBondContact O-CG 3.4Å; V61-E65 PolarHBondContact O-N 3.28Å; V61-L89 HydrophobicContact CG1-CD1 4.23Å; V61-Y92 HydrophobicContact CG2-CD1 3.57Å; V61-Y92 HydrophobicContact CG2-CE1 3.22Å; V61-Y92 HydrophobicContact CG2-CG 4.42Å; V61-Y93 HydrophobicContact CG1-CE1 4.23Å; V61-Y93 WeakPolarHBondContact CG1-OH 3.24Å |
| 62 | K | 85.5 | Confident | 81.8 | Confident | 75 Ų | 75 | 51.9 Ų | 51.9 | 33% | 0.326 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -52.7 | -49.1 | 177.1 | -69.5 | -177.8 | -169.4 | 169.9 | 0 | 111.5 | D28 I31 E58 E59 L64 E65 A66 | D28-K62 IonicContact OD1-NZ 3.67Å; I31-K62 HydrophobicContact CD1-CB 4.31Å; E58-K62 WeakPolarHBondContact O-CG 3.38Å; E58-K62 PolarHBondContact O-N 2.77Å; E59-K62 WeakPolarHBondContact OE1-CE 3.33Å; E59-K62 IonicContact OE1-NZ 3.32Å; E59-K62 PolarHBondContact OE1-NZ 3.04Å; E59-K62 WeakPolarHBondContact OE2-CD 3.37Å; E59-K62 IonicContact OE2-NZ 2.72Å; E59-K62 PolarHBondContact OE2-NZ 3.08Å; K62-L64 VanDerWaalsContact C-N 3.34Å; K62-L64 PolarHBondContact O-N 2.93Å; K62-E65 PolarHBondContact O-N 2.72Å; K62-A66 VanDerWaalsContact O-CB 3.26Å; K62-A66 WeakPolarHBondContact O-CB 3.23Å; K62-A66 PolarHBondContact O-N 3.01Å |
| 63 | L | 86.1 | Confident | 81.1 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.4 | -38.4 | -176.1 | -175.3 | 61.7 | 0 | 0 | 0 | 112 | V30 I31 L34 W44 L47 A48 Y51 E59 V61 A67 | V30-L63 HydrophobicContact CG1-CD1 4.29Å; I31-L63 HydrophobicContact CG1-CD1 3.66Å; L34-L63 HydrophobicContact CD1-CD1 3.97Å; W44-L63 HydrophobicContact CE3-CD1 3.57Å; W44-L63 HydrophobicContact CE3-CG 4.34Å; W44-L63 HydrophobicContact CZ3-CD1 3.94Å; L47-L63 HydrophobicContact CB-CD2 4.02Å; A48-L63 HydrophobicContact CB-CD2 3.95Å; Y51-L63 HydrophobicContact CD2-CD2 3.97Å; Y51-L63 HydrophobicContact CE2-CD2 4.08Å; E59-L63 WeakPolarHBondContact O-CB 3.47Å; E59-L63 PolarHBondContact O-N 2.94Å; V61-L63 VanDerWaalsContact C-N 3.31Å; V61-L63 PolarHBondContact O-N 3.41Å; L63-A67 VanDerWaalsContact O-CB 3.23Å; L63-A67 WeakPolarHBondContact O-CB 3.29Å; L63-A67 PolarHBondContact O-N 2.76Å |
| 64 | L | 85.7 | Confident | 80.2 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -79.7 | -34.9 | 177.2 | -68.8 | -179.6 | 0 | 0 | 0 | 113.9 | A48 F60 V61 K62 A66 A67 R68 L89 | A48-L64 HydrophobicContact CB-CD1 4.4Å; A48-L64 HydrophobicContact CB-CD2 3.93Å; A48-L64 HydrophobicContact CB-CG 3.97Å; F60-L64 HydrophobicContact CD2-CD1 4.23Å; F60-L64 HydrophobicContact CE1-CD1 3.89Å; F60-L64 HydrophobicContact CE2-CD1 3.56Å; F60-L64 HydrophobicContact CE2-CG 4.44Å; F60-L64 HydrophobicContact CZ-CD1 3.36Å; F60-L64 PolarHBondContact O-N 2.9Å; V61-L64 PolarHBondContact O-N 2.92Å; K62-L64 VanDerWaalsContact C-N 3.34Å; K62-L64 PolarHBondContact O-N 2.93Å; L64-A66 VanDerWaalsContact C-N 3.33Å; L64-A67 PolarHBondContact O-N 2.84Å; L64-R68 PolarHBondContact O-N 3.39Å; L64-R68 VanDerWaalsContact O-N 3.12Å; L64-L89 HydrophobicContact CB-CB 4.33Å; L64-L89 HydrophobicContact CB-CD1 4.16Å; L64-L89 HydrophobicContact CB-CD2 4.34Å; L64-L89 HydrophobicContact CD1-CB 4.22Å |
| 65 | E | 85.2 | Confident | 79.8 | Confident | 49 Ų | 49 | 50.3 Ų | 50.3 | 23% | 0.229 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.5 | -38.3 | 171.7 | -75.1 | -79.1 | 159.9 | 0 | 0 | 111.1 | V61 K62 R68 L89 Y93 | V61-E65 HydrophobicContact CG1-CG 3.98Å; V61-E65 WeakPolarHBondContact O-CB 3.41Å; V61-E65 WeakPolarHBondContact O-CG 3.4Å; V61-E65 PolarHBondContact O-N 3.28Å; K62-E65 PolarHBondContact O-N 2.72Å; E65-R68 VanDerWaalsContact CD-NH1 3.34Å; E65-R68 IonicContact OE1-NH1 2.64Å; E65-R68 PolarHBondContact OE1-NH1 2.82Å; E65-R68 IonicContact OE2-CZ 3.95Å; E65-R68 IonicContact OE2-NH1 3.21Å; E65-R68 PolarHBondContact OE2-NH1 3.01Å; E65-R68 IonicContact OE2-NH2 2.94Å; E65-R68 PolarHBondContact OE2-NH2 3.3Å; E65-L89 HydrophobicContact CG-CD1 4.37Å; E65-L89 HydrophobicContact CG-CD2 4.08Å; E65-L89 WeakPolarHBondContact OE1-CD2 3.35Å; E65-Y93 PolarHBondContact OE1-OH 3.38Å |
| 66 | A | 84 | Confident | 79.2 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 12% | 0.124 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.3 | -47 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | I31 W44 K62 L64 R68 I69 D70 | I31-A66 HydrophobicContact CD1-CB 3.96Å; I31-A66 HydrophobicContact CG1-CB 4.13Å; I31-A66 HydrophobicContact CG2-CB 4.03Å; W44-A66 HydrophobicContact CZ3-CB 4.26Å; K62-A66 VanDerWaalsContact O-CB 3.26Å; K62-A66 WeakPolarHBondContact O-CB 3.23Å; K62-A66 PolarHBondContact O-N 3.01Å; L64-A66 VanDerWaalsContact C-N 3.33Å; A66-R68 PolarHBondContact O-N 2.89Å; A66-R68 VanDerWaalsContact O-N 3.16Å; A66-I69 PolarHBondContact O-N 2.9Å; A66-D70 PolarHBondContact O-N 2.78Å |
| 67 | A | 82.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.8 | -35.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L41 W44 L63 L64 I69 G71 | L41-A67 HydrophobicContact CD1-CB 3.91Å; W44-A67 HydrophobicContact CB-CB 4.21Å; W44-A67 HydrophobicContact CD2-CB 4.08Å; W44-A67 HydrophobicContact CE3-CB 3.71Å; W44-A67 HydrophobicContact CG-CB 4.34Å; W44-A67 HydrophobicContact CZ3-CB 4.42Å; L63-A67 VanDerWaalsContact O-CB 3.23Å; L63-A67 WeakPolarHBondContact O-CB 3.29Å; L63-A67 PolarHBondContact O-N 2.76Å; L64-A67 PolarHBondContact O-N 2.84Å; A67-I69 VanDerWaalsContact C-N 3.29Å; A67-I69 PolarHBondContact O-N 2.7Å; A67-G71 WeakPolarHBondContact O-CA 3.36Å; A67-G71 PolarHBondContact O-N 2.89Å |
| 68 | R | 77.7 | Confident | 78.3 | Confident | 65 Ų | 65 | 62.2 Ų | 62.2 | 25% | 0.245 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.3 | -30.8 | 175.7 | -171.9 | -171.1 | 64.7 | -135 | -18.3 | 113.5 | L64 E65 A66 Q82 L86 | L64-R68 PolarHBondContact O-N 3.39Å; L64-R68 VanDerWaalsContact O-N 3.12Å; E65-R68 VanDerWaalsContact CD-NH1 3.34Å; E65-R68 IonicContact OE1-NH1 2.64Å; E65-R68 PolarHBondContact OE1-NH1 2.82Å; E65-R68 IonicContact OE2-CZ 3.95Å; E65-R68 IonicContact OE2-NH1 3.21Å; E65-R68 PolarHBondContact OE2-NH1 3.01Å; E65-R68 IonicContact OE2-NH2 2.94Å; E65-R68 PolarHBondContact OE2-NH2 3.3Å; A66-R68 PolarHBondContact O-N 2.89Å; A66-R68 VanDerWaalsContact O-N 3.16Å; R68-Q82 PolarHBondContact O-NE2 3.15Å; R68-L86 HydrophobicContact CG-CD2 3.96Å |
| 69 | I | 77.8 | Confident | 78.1 | Confident | 123 Ų | 123 | 62.2 Ų | 62.2 | 63% | 0.631 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -102.5 | -46.9 | -171.1 | -58.9 | 172.4 | 0 | 0 | 0 | 111.7 | A66 A67 | A66-I69 PolarHBondContact O-N 2.9Å; A67-I69 VanDerWaalsContact C-N 3.29Å; A67-I69 PolarHBondContact O-N 2.7Å |
| 70 | D | 69.8 | Low | 77.9 | Confident | 66 Ų | 66 | 64.4 Ų | 64.4 | 35% | 0.353 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -105.4 | -0.5 | -170.9 | -74.7 | -42.6 | 0 | 0 | 0 | 113.7 | K35 A66 | K35-D70 HydrophobicContact CD-CB 4.11Å; K35-D70 VanDerWaalsContact CE-OD1 3.26Å; K35-D70 WeakPolarHBondContact CE-OD1 3.35Å; K35-D70 WeakPolarHBondContact CE-OD2 3.5Å; K35-D70 IonicContact NZ-OD1 3.37Å; K35-D70 PolarHBondContact NZ-OD1 2.92Å; K35-D70 IonicContact NZ-OD2 3.55Å; K35-D70 PolarHBondContact NZ-OD2 3.46Å; A66-D70 PolarHBondContact O-N 2.78Å |
| 71 | G | 65.7 | Low | 77.6 | Confident | 13 Ų | 13 | 65.4 Ų | 65.4 | 13% | 0.134 | 31% | 0.314 | C | S | . | . | trans | -60.6 | 142 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A67 L73 | A67-G71 WeakPolarHBondContact O-CA 3.36Å; A67-G71 PolarHBondContact O-N 2.89Å; G71-L73 PolarHBondContact O-N 2.76Å | ||
| 72 | N | 68.1 | Low | 77.4 | Confident | 38 Ų | 38 | 65.8 Ų | 65.8 | 20% | 0.203 | 32% | 0.315 | C | S | . | . | trans | -64.6 | 133.1 | 172.7 | -172.5 | 4.1 | 0 | 0 | 0 | 109.8 | H38 D74 Y75 | H38-N72 HydrophobicContact CB-CB 4.47Å; H38-N72 PolarHBondContact O-ND2 3.47Å; N72-D74 PolarHBondContact OD1-N 2.83Å; N72-Y75 VanDerWaalsContact O-CE1 3.3Å; N72-Y75 WeakPolarHBondContact O-CE1 3.34Å | ||
| 73 | L | 69.7 | Low | 77.4 | Confident | 95 Ų | 95 | 62.2 Ų | 62.2 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | trans | -109.2 | -5.8 | 179.2 | -64.8 | 169.2 | 0 | 0 | 0 | 112.5 | G71 Y75 H78 | G71-L73 PolarHBondContact O-N 2.76Å; L73-Y75 VanDerWaalsContact C-N 3.32Å; L73-Y75 PolarHBondContact O-N 2.83Å; L73-Y75 VanDerWaalsContact O-N 3.1Å; L73-H78 PolarHBondContact O-ND1 3.15Å; L73-H78 VanDerWaalsContact O-ND1 3.09Å | ||
| 74 | D | 66.1 | Low | 77.3 | Confident | 153 Ų | 153 | 63.4 Ų | 63.4 | 82% | 0.818 | 31% | 0.307 | S | S | * | . | trans | -93 | 51.4 | -166.5 | -142.5 | -8.7 | 0 | 0 | 0 | 112.9 | N72 | N72-D74 PolarHBondContact OD1-N 2.83Š| ||
| 75 | Y | 75.3 | Confident | 77.3 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 15% | 0.153 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -148.5 | 162.8 | 172.6 | 65.8 | -81.4 | 0 | 0 | 0 | 112.1 | Q40 L41 N72 L73 D77 H78 D81 | Q40-Y75 HydrophobicContact CG-CD1 4.5Å; L41-Y75 WeakPolarHBondContact CB-OH 3.49Å; L41-Y75 PolarHBondContact N-OH 3.33Å; N72-Y75 VanDerWaalsContact O-CE1 3.3Å; N72-Y75 WeakPolarHBondContact O-CE1 3.34Å; L73-Y75 VanDerWaalsContact C-N 3.32Å; L73-Y75 PolarHBondContact O-N 2.83Å; L73-Y75 VanDerWaalsContact O-N 3.1Å; Y75-D77 PolarHBondContact O-N 2.93Å; Y75-H78 HydrophobicContact CD1-CB 4.08Å; Y75-H78 HydrophobicContact CD2-CB 4.33Å; Y75-H78 HydrophobicContact CE1-CB 3.72Å; Y75-H78 HydrophobicContact CE2-CB 3.99Å; Y75-H78 HydrophobicContact CG-CB 4.35Å; Y75-H78 PolarHBondContact O-N 2.98Å; Y75-H78 PolarHBondContact O-ND1 3.38Å; Y75-D81 PolarHBondContact OH-OD2 2.94Å |
| 76 | R | 69.1 | Low | 77.4 | Confident | 244 Ų | 244 | 61.4 Ų | 61.4 | 92% | 0.921 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -36.4 | -164.4 | -76.9 | -173.7 | 174.6 | 175.7 | -0.4 | 115.9 | ||
| 77 | D | 74.3 | Confident | 77.6 | Confident | 114 Ų | 114 | 61.3 Ų | 61.3 | 61% | 0.61 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 13.6 | -173.6 | -61.8 | -57.4 | 0 | 0 | 0 | 113.2 | Y75 E79 K80 D81 | Y75-D77 PolarHBondContact O-N 2.93Å; D77-E79 VanDerWaalsContact C-N 3.3Å; D77-E79 PolarHBondContact O-N 2.82Å; D77-K80 WeakPolarHBondContact O-CB 3.28Å; D77-K80 PolarHBondContact O-N 3.41Å; D77-D81 PolarHBondContact O-N 2.83Å |
| 78 | H | 77.4 | Confident | 77.7 | Confident | 55 Ų | 55 | 63 Ų | 63 | 26% | 0.255 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.9 | -34.9 | -172.8 | 74.7 | -88.7 | 0 | 0 | 0 | 114.1 | L73 Y75 K80 D81 Q82 | L73-H78 PolarHBondContact O-ND1 3.15Å; L73-H78 VanDerWaalsContact O-ND1 3.09Å; Y75-H78 HydrophobicContact CD1-CB 4.08Å; Y75-H78 HydrophobicContact CD2-CB 4.33Å; Y75-H78 HydrophobicContact CE1-CB 3.72Å; Y75-H78 HydrophobicContact CE2-CB 3.99Å; Y75-H78 HydrophobicContact CG-CB 4.35Å; Y75-H78 PolarHBondContact O-N 2.98Å; Y75-H78 PolarHBondContact O-ND1 3.38Å; H78-K80 PolarHBondContact O-N 3.32Å; H78-D81 PolarHBondContact O-N 3.24Å; H78-Q82 WeakPolarHBondContact O-CB 3.2Å; H78-Q82 PolarHBondContact O-N 3.45Å |
| 79 | E | 78.9 | Confident | 78.2 | Confident | 115 Ų | 115 | 60 Ų | 60 | 54% | 0.537 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.2 | -35.3 | 175 | -66.4 | -170.3 | 153.5 | 0 | 0 | 111.9 | D77 M83 I123 | D77-E79 VanDerWaalsContact C-N 3.3Å; D77-E79 PolarHBondContact O-N 2.82Å; E79-M83 PolarHBondContact O-N 3.13Å; E79-I123 HydrophobicContact CB-CG2 3.84Å; E79-I123 HydrophobicContact CG-CG2 4.43Å; E79-I123 WeakPolarHBondContact O-CG2 3.13Å |
| 80 | K | 81.3 | Confident | 78.6 | Confident | 63 Ų | 63 | 54.1 Ų | 54.1 | 27% | 0.274 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -72.4 | -42 | -179.4 | 175.8 | 57.4 | -164 | 165.2 | 0 | 111.4 | D77 H78 M83 T84 D127 | D77-K80 WeakPolarHBondContact O-CB 3.28Å; D77-K80 PolarHBondContact O-N 3.41Å; H78-K80 PolarHBondContact O-N 3.32Å; K80-M83 HydrophobicContact CD-CE 3.74Å; K80-T84 PolarHBondContact O-N 2.86Å; K80-T84 PolarHBondContact O-OG1 3.02Å; K80-D127 IonicContact NZ-OD1 2.8Å; K80-D127 PolarHBondContact NZ-OD1 2.73Å; K80-D127 IonicContact NZ-OD2 3.43Å; K80-D127 PolarHBondContact NZ-OD2 3.24Å |
| 81 | D | 82.6 | Confident | 79.4 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 15% | 0.15 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73.3 | -36.5 | 176.1 | -75.2 | -10.8 | 0 | 0 | 0 | 112.1 | L41 H42 I45 Y75 D77 H78 M83 T84 C85 | L41-D81 HydrophobicContact CB-CB 3.92Å; L41-D81 HydrophobicContact CD2-CB 4.11Å; L41-D81 HydrophobicContact CG-CB 4.43Å; H42-D81 WeakPolarHBondContact CB-OD2 3.28Å; H42-D81 PolarHBondContact N-OD2 3.19Å; H42-D81 VanDerWaalsContact N-OD2 3.16Å; H42-D81 IonicContact ND1-OD2 3.94Å; I45-D81 HydrophobicContact CD1-CB 4.48Å; Y75-D81 PolarHBondContact OH-OD2 2.94Å; D77-D81 PolarHBondContact O-N 2.83Å; H78-D81 PolarHBondContact O-N 3.24Å; D81-M83 VanDerWaalsContact C-N 3.29Å; D81-M83 PolarHBondContact O-N 3.25Å; D81-T84 WeakPolarHBondContact CA-OG1 3.4Å; D81-T84 PolarHBondContact O-N 3.48Å; D81-T84 VanDerWaalsContact O-N 3.07Å; D81-T84 PolarHBondContact O-OG1 2.59Å; D81-C85 PolarHBondContact O-N 3.01Å |
| 82 | Q | 83.2 | Confident | 80.4 | Confident | 30 Ų | 30 | 53.2 Ų | 53.2 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.2 | -37.7 | 178.3 | -174.8 | 70.4 | -17.3 | 0 | 0 | 111.4 | L41 R68 H78 C85 L86 I123 | L41-Q82 HydrophobicContact CD2-CB 4.18Å; R68-Q82 PolarHBondContact O-NE2 3.15Å; H78-Q82 WeakPolarHBondContact O-CB 3.2Å; H78-Q82 PolarHBondContact O-N 3.45Å; Q82-C85 WeakPolarHBondContact O-CB 3.11Å; Q82-L86 VanDerWaalsContact O-CG 3.32Å; Q82-L86 WeakPolarHBondContact O-CG 3.41Å; Q82-L86 PolarHBondContact O-N 2.86Å; Q82-L86 VanDerWaalsContact O-N 3.11Å; Q82-I123 HydrophobicContact CG-CD1 4.23Å |
| 83 | M | 85.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 170.2 | 173.9 | -124.2 | -56 | 0 | 0 | 112.3 | E79 K80 D81 L86 D87 A120 I124 D127 H130 | E79-M83 PolarHBondContact O-N 3.13Å; K80-M83 HydrophobicContact CD-CE 3.74Å; D81-M83 VanDerWaalsContact C-N 3.29Å; D81-M83 PolarHBondContact O-N 3.25Å; M83-L86 PolarHBondContact O-N 3.34Å; M83-D87 WeakPolarHBondContact O-CB 3.49Å; M83-D87 PolarHBondContact O-N 3.03Å; M83-A120 HydrophobicContact CG-CB 4.24Å; M83-I124 HydrophobicContact CE-CB 3.55Å; M83-I124 HydrophobicContact CE-CD1 3.61Å; M83-I124 HydrophobicContact CE-CG1 3.66Å; M83-D127 HydrophobicContact CE-CB 3.98Å; M83-D127 HydrophobicContact SD-CB 3.91Å; M83-H130 HydrophobicContact SD-CB 4.23Å |
| 84 | T | 84.1 | Confident | 82.1 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 16% | 0.16 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.2 | -28.3 | -179.4 | 54.3 | 0 | 0 | 0 | 0 | 112.7 | I45 K80 D81 T88 | I45-T84 WeakPolarHBondContact CD1-OG1 3.27Å; K80-T84 PolarHBondContact O-N 2.86Å; K80-T84 PolarHBondContact O-OG1 3.02Å; D81-T84 WeakPolarHBondContact CA-OG1 3.4Å; D81-T84 PolarHBondContact O-N 3.48Å; D81-T84 VanDerWaalsContact O-N 3.07Å; D81-T84 PolarHBondContact O-OG1 2.59Å; T84-T88 WeakPolarHBondContact O-CB 3.43Å; T84-T88 VanDerWaalsContact O-CG2 3.3Å; T84-T88 WeakPolarHBondContact O-CG2 3.43Å; T84-T88 PolarHBondContact O-N 3.25Å; T84-T88 PolarHBondContact O-OG1 2.68Å |
| 85 | C | 85.7 | Confident | 82.9 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.02 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.3 | -54.1 | 162.3 | -87.2 | 0 | 0 | 0 | 0 | 111.7 | L41 I45 D81 Q82 D87 T88 L89 | L41-C85 HydrophobicContact CD2-CB 4.43Å; I45-C85 WeakPolarHBondContact CG1-SG 3.5Å; D81-C85 PolarHBondContact O-N 3.01Å; Q82-C85 WeakPolarHBondContact O-CB 3.11Å; C85-D87 PolarHBondContact O-N 3.07Å; C85-T88 PolarHBondContact O-N 3.16Å; C85-T88 PolarHBondContact O-OG1 2.91Å; C85-T88 VanDerWaalsContact O-OG1 3.06Å; C85-L89 WeakPolarHBondContact O-CB 3.38Å; C85-L89 PolarHBondContact O-N 2.97Å; C85-L89 VanDerWaalsContact O-N 3.12Å |
| 86 | L | 87.3 | Confident | 83.3 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | -179.5 | -69.8 | 170.1 | 0 | 0 | 0 | 112.2 | R68 Q82 M83 A90 L116 M119 A120 I123 | R68-L86 HydrophobicContact CG-CD2 3.96Å; Q82-L86 VanDerWaalsContact O-CG 3.32Å; Q82-L86 WeakPolarHBondContact O-CG 3.41Å; Q82-L86 PolarHBondContact O-N 2.86Å; Q82-L86 VanDerWaalsContact O-N 3.11Å; M83-L86 PolarHBondContact O-N 3.34Å; L86-A90 WeakPolarHBondContact O-CB 3.45Å; L86-A90 PolarHBondContact O-N 2.6Å; L86-L116 HydrophobicContact CD2-CD2 3.71Å; L86-M119 HydrophobicContact CD1-CB 4.16Å; L86-A120 HydrophobicContact CB-CB 4.08Å; L86-A120 HydrophobicContact CD1-CB 4.33Å; L86-I123 HydrophobicContact CD1-CD1 3.8Å |
| 87 | D | 86.8 | Confident | 83.9 | Confident | 12 Ų | 12 | 34 Ų | 34 | 6% | 0.064 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.3 | -38.7 | 179.2 | -85.9 | -27 | 0 | 0 | 0 | 113.4 | M83 C85 A91 Y117 H130 | M83-D87 WeakPolarHBondContact O-CB 3.49Å; M83-D87 PolarHBondContact O-N 3.03Å; C85-D87 PolarHBondContact O-N 3.07Å; D87-A91 WeakPolarHBondContact O-CB 3.42Å; D87-A91 PolarHBondContact O-N 3.05Å; D87-Y117 WeakPolarHBondContact OD1-CD1 3.01Å; D87-Y117 WeakPolarHBondContact OD1-CE1 3.22Å; D87-H130 VanDerWaalsContact CG-ND1 3.34Å; D87-H130 IonicContact OD1-CE1 2.67Å; D87-H130 IonicContact OD1-CG 3.07Å; D87-H130 IonicContact OD1-ND1 2.7Å; D87-H130 PolarHBondContact OD1-ND1 3.11Å; D87-H130 WeakPolarHBondContact OD2-CA 3.21Å; D87-H130 WeakPolarHBondContact OD2-CB 3.49Å; D87-H130 IonicContact OD2-CG 2.83Å; D87-H130 IonicContact OD2-ND1 3.98Å; D87-H130 PolarHBondContact OD2-ND1 3.33Å; D87-H130 VanDerWaalsContact OD2-ND1 3.16Å |
| 88 | T | 86.4 | Confident | 84.1 | Confident | 37 Ų | 37 | 33.8 Ų | 33.8 | 23% | 0.227 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68 | -39.6 | 177.8 | 46.7 | 0 | 0 | 0 | 0 | 111.3 | T84 C85 Y92 | T84-T88 WeakPolarHBondContact O-CB 3.43Å; T84-T88 VanDerWaalsContact O-CG2 3.3Å; T84-T88 WeakPolarHBondContact O-CG2 3.43Å; T84-T88 PolarHBondContact O-N 3.25Å; T84-T88 PolarHBondContact O-OG1 2.68Å; C85-T88 PolarHBondContact O-N 3.16Å; C85-T88 PolarHBondContact O-OG1 2.91Å; C85-T88 VanDerWaalsContact O-OG1 3.06Å; T88-Y92 WeakPolarHBondContact O-CB 2.5Å; T88-Y92 PolarHBondContact O-N 3.09Å |
| 89 | L | 87.1 | Confident | 84 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.8 | -45 | 173.6 | -174.5 | 60.9 | 0 | 0 | 0 | 112.2 | V61 L64 E65 C85 A91 Y92 Y93 L116 | V61-L89 HydrophobicContact CG1-CD1 4.23Å; L64-L89 HydrophobicContact CB-CB 4.33Å; L64-L89 HydrophobicContact CB-CD1 4.16Å; L64-L89 HydrophobicContact CB-CD2 4.34Å; L64-L89 HydrophobicContact CD1-CB 4.22Å; E65-L89 HydrophobicContact CG-CD1 4.37Å; E65-L89 HydrophobicContact CG-CD2 4.08Å; E65-L89 WeakPolarHBondContact OE1-CD2 3.35Å; C85-L89 WeakPolarHBondContact O-CB 3.38Å; C85-L89 PolarHBondContact O-N 2.97Å; C85-L89 VanDerWaalsContact O-N 3.12Å; L89-A91 PolarHBondContact O-N 2.87Å; L89-Y92 WeakPolarHBondContact O-CB 3.06Å; L89-Y92 PolarHBondContact O-N 3.3Å; L89-Y92 VanDerWaalsContact O-N 3.15Å; L89-Y93 HydrophobicContact CD1-CE2 3.96Å; L89-Y93 HydrophobicContact CG-CD2 4.46Å; L89-Y93 HydrophobicContact CG-CE2 3.91Å; L89-Y93 PolarHBondContact O-N 2.84Å; L89-L116 HydrophobicContact CB-CD1 4.06Å; L89-L116 HydrophobicContact CD2-CD1 3.69Å; L89-L116 HydrophobicContact CD2-CD2 4.39Å; L89-L116 HydrophobicContact CG-CD1 3.56Å |
| 90 | A | 87.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.2 | -39.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L86 Y92 V94 L116 Y117 | L86-A90 WeakPolarHBondContact O-CB 3.45Å; L86-A90 PolarHBondContact O-N 2.6Å; A90-Y92 VanDerWaalsContact C-N 3.3Å; A90-Y92 PolarHBondContact O-N 3.37Å; A90-V94 WeakPolarHBondContact O-CB 2.5Å; A90-V94 WeakPolarHBondContact O-CG2 3Å; A90-V94 PolarHBondContact O-N 3.15Å; A90-L116 HydrophobicContact CB-CB 3.76Å; A90-L116 HydrophobicContact CB-CD1 4.28Å; A90-Y117 HydrophobicContact CB-CD1 4.06Å; A90-Y117 HydrophobicContact CB-CD2 3.78Å; A90-Y117 HydrophobicContact CB-CE1 3.87Å; A90-Y117 HydrophobicContact CB-CE2 3.58Å; A90-Y117 HydrophobicContact CB-CG 3.99Å |
| 91 | A | 84.9 | Confident | 83.6 | Confident | 36 Ų | 36 | 38.5 Ų | 38.5 | 30% | 0.298 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.9 | -33 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D87 L89 V94 Q95 Y117 | D87-A91 WeakPolarHBondContact O-CB 3.42Å; D87-A91 PolarHBondContact O-N 3.05Å; L89-A91 PolarHBondContact O-N 2.87Å; A91-V94 WeakPolarHBondContact O-CB 2.99Å; A91-Q95 VanDerWaalsContact O-CG 3.24Å; A91-Q95 WeakPolarHBondContact O-CG 3.17Å; A91-Q95 PolarHBondContact O-N 2.86Å; A91-Q95 VanDerWaalsContact O-N 3.08Å; A91-Y117 WeakPolarHBondContact CA-OH 3.39Å; A91-Y117 PolarHBondContact N-OH 3.29Å |
| 92 | Y | 87.3 | Confident | 83.4 | Confident | 24 Ų | 24 | 40.4 Ų | 40.4 | 9% | 0.094 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.7 | -51.1 | 174.1 | 173.4 | -90.1 | 0 | 0 | 0 | 112.1 | Y52 T57 F60 V61 T88 L89 A90 V94 Q95 Q96 | Y52-Y92 HydrophobicContact CD2-CD2 4.25Å; Y52-Y92 HydrophobicContact CD2-CE2 4.44Å; Y52-Y92 AromaticContact CE2-CD2 3.89Å; Y52-Y92 HydrophobicContact CE2-CD2 3.89Å; Y52-Y92 HydrophobicContact CE2-CE2 4.1Å; T57-Y92 WeakPolarHBondContact CB-OH 2.91Å; T57-Y92 HydrophobicContact CG2-CE2 4.15Å; F60-Y92 AromaticContact CD1-CD2 3.78Å; F60-Y92 HydrophobicContact CD1-CD2 3.78Å; F60-Y92 HydrophobicContact CD1-CE2 4.17Å; F60-Y92 HydrophobicContact CD1-CG 4.04Å; F60-Y92 HydrophobicContact CE1-CD1 4.4Å; F60-Y92 AromaticContact CE1-CD2 3.58Å; F60-Y92 HydrophobicContact CE1-CD2 3.58Å; F60-Y92 HydrophobicContact CE1-CE2 4.42Å; F60-Y92 AromaticContact CE1-CG 3.59Å; F60-Y92 HydrophobicContact CE1-CG 3.59Å; V61-Y92 HydrophobicContact CG2-CD1 3.57Å; V61-Y92 HydrophobicContact CG2-CE1 3.22Å; V61-Y92 HydrophobicContact CG2-CG 4.42Å; T88-Y92 WeakPolarHBondContact O-CB 2.5Å; T88-Y92 PolarHBondContact O-N 3.09Å; L89-Y92 WeakPolarHBondContact O-CB 3.06Å; L89-Y92 PolarHBondContact O-N 3.3Å; L89-Y92 VanDerWaalsContact O-N 3.15Å; A90-Y92 VanDerWaalsContact C-N 3.3Å; A90-Y92 PolarHBondContact O-N 3.37Å; Y92-V94 PolarHBondContact O-N 3.2Å; Y92-Q95 CarbonylContact O-C 3.4Å; Y92-Q95 WeakPolarHBondContact O-CA 3.31Å; Y92-Q95 PolarHBondContact O-N 3.42Å; Y92-Q96 HydrophobicContact CE1-CB 4.47Å; Y92-Q96 PolarHBondContact O-N 3.15Å |
| 93 | Y | 88.3 | Confident | 83 | Confident | 19 Ų | 19 | 44.2 Ų | 44.2 | 8% | 0.075 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.9 | -35 | 175.1 | -65 | -40.7 | 0 | 0 | 0 | 111.5 | V61 E65 L89 Q95 Q96 A97 L109 Q112 L116 | V61-Y93 HydrophobicContact CG1-CE1 4.23Å; V61-Y93 WeakPolarHBondContact CG1-OH 3.24Å; E65-Y93 PolarHBondContact OE1-OH 3.38Å; L89-Y93 HydrophobicContact CD1-CE2 3.96Å; L89-Y93 HydrophobicContact CG-CD2 4.46Å; L89-Y93 HydrophobicContact CG-CE2 3.91Å; L89-Y93 PolarHBondContact O-N 2.84Å; Y93-Q95 VanDerWaalsContact C-N 3.34Å; Y93-Q95 PolarHBondContact O-N 3.08Å; Y93-Q96 PolarHBondContact O-N 2.95Å; Y93-A97 VanDerWaalsContact O-CB 3.31Å; Y93-A97 WeakPolarHBondContact O-CB 3.49Å; Y93-A97 PolarHBondContact O-N 3.06Å; Y93-L109 HydrophobicContact CD1-CD2 3.82Å; Y93-L109 HydrophobicContact CE1-CD2 4.48Å; Y93-L109 HydrophobicContact CG-CD2 4.45Å; Y93-Q112 HydrophobicContact CD2-CB 3.96Å; Y93-Q112 HydrophobicContact CE2-CB 4.17Å; Y93-L116 HydrophobicContact CD2-CD1 3.79Å; Y93-L116 HydrophobicContact CE2-CD1 3.69Å |
| 94 | V | 85.4 | Confident | 82.7 | Confident | 6 Ų | 6 | 48.3 Ų | 48.3 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.8 | -38.3 | 168.6 | 147.7 | 0 | 0 | 0 | 0 | 113.7 | A90 A91 Y92 R98 A113 Y117 F137 L140 | A90-V94 WeakPolarHBondContact O-CB 2.5Å; A90-V94 WeakPolarHBondContact O-CG2 3Å; A90-V94 PolarHBondContact O-N 3.15Å; A91-V94 WeakPolarHBondContact O-CB 2.99Å; Y92-V94 PolarHBondContact O-N 3.2Å; V94-R98 WeakPolarHBondContact O-CG 3.32Å; V94-A113 HydrophobicContact CG2-CB 4.13Å; V94-Y117 HydrophobicContact CG2-CE2 3.98Å; V94-F137 HydrophobicContact CG2-CB 4.13Å; V94-F137 HydrophobicContact CG2-CD2 3.65Å; V94-F137 HydrophobicContact CG2-CG 4.39Å; V94-L140 HydrophobicContact CB-CD1 4.36Å; V94-L140 HydrophobicContact CG1-CD1 3.85Å; V94-L140 HydrophobicContact CG2-CD1 4.35Å; V94-L140 WeakPolarHBondContact O-CD1 3.43Å |
| 95 | Q | 82.4 | Confident | 82.6 | Confident | 83 Ų | 83 | 50.5 Ų | 50.5 | 39% | 0.388 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -81.7 | -27.7 | 177.3 | -62.2 | -77.6 | 17.5 | 0 | 0 | 112.3 | A91 Y92 Y93 R98 | A91-Q95 VanDerWaalsContact O-CG 3.24Å; A91-Q95 WeakPolarHBondContact O-CG 3.17Å; A91-Q95 PolarHBondContact O-N 2.86Å; A91-Q95 VanDerWaalsContact O-N 3.08Å; Y92-Q95 CarbonylContact O-C 3.4Å; Y92-Q95 WeakPolarHBondContact O-CA 3.31Å; Y92-Q95 PolarHBondContact O-N 3.42Å; Y93-Q95 VanDerWaalsContact C-N 3.34Å; Y93-Q95 PolarHBondContact O-N 3.08Å; Q95-R98 VanDerWaalsContact CD-NH1 3.34Å; Q95-R98 VanDerWaalsContact OE1-CD 3.31Å |
| 96 | Q | 83.8 | Confident | 82.5 | Confident | 55 Ų | 55 | 53.9 Ų | 53.9 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.4 | -45.6 | 172.8 | -163 | 174.6 | 2 | 0 | 0 | 110.7 | Y92 Y93 R98 K99 E100 L109 | Y92-Q96 HydrophobicContact CE1-CB 4.47Å; Y92-Q96 PolarHBondContact O-N 3.15Å; Y93-Q96 PolarHBondContact O-N 2.95Å; Q96-R98 PolarHBondContact O-N 3.36Å; Q96-K99 WeakPolarHBondContact O-CA 3.23Å; Q96-K99 PolarHBondContact O-N 2.85Å; Q96-E100 WeakPolarHBondContact O-CB 3.37Å; Q96-E100 PolarHBondContact O-N 2.83Å; Q96-L109 HydrophobicContact CB-CD1 4.13Å; Q96-L109 HydrophobicContact CB-CD2 4.41Å; Q96-L109 HydrophobicContact CG-CD1 3.78Å; Q96-L109 HydrophobicContact CG-CD2 4.26Å |
| 97 | A | 83.1 | Confident | 82.3 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -14.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y93 K106 L109 I110 | Y93-A97 VanDerWaalsContact O-CB 3.31Å; Y93-A97 WeakPolarHBondContact O-CB 3.49Å; Y93-A97 PolarHBondContact O-N 3.06Å; A97-K106 HydrophobicContact CB-CG 4.31Å; A97-K106 WeakPolarHBondContact O-CD 3.43Å; A97-K106 VanDerWaalsContact O-CE 3.22Å; A97-K106 WeakPolarHBondContact O-CE 3.46Å; A97-L109 HydrophobicContact CB-CB 4.02Å; A97-I110 HydrophobicContact CB-CG1 4.02Å |
| 98 | R | 76.8 | Confident | 82.4 | Confident | 109 Ų | 109 | 62.8 Ų | 62.8 | 41% | 0.411 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -26.3 | 169.4 | -72.4 | 168.9 | -175.9 | -177.4 | -3.7 | 113.6 | V94 Q95 Q96 L140 | V94-R98 WeakPolarHBondContact O-CG 3.32Å; Q95-R98 VanDerWaalsContact CD-NH1 3.34Å; Q95-R98 VanDerWaalsContact OE1-CD 3.31Å; Q96-R98 PolarHBondContact O-N 3.36Å; R98-L140 HydrophobicContact CG-CD1 3.87Å; R98-L140 HydrophobicContact CG-CD2 3.69Å; R98-L140 HydrophobicContact CG-CG 4.4Å |
| 99 | K | 76.5 | Confident | 82.4 | Confident | 158 Ų | 158 | 61.8 Ų | 61.8 | 69% | 0.687 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -29.2 | -179.2 | -62.7 | 173.1 | -176.6 | 174.4 | 0 | 112.1 | Q96 | Q96-K99 WeakPolarHBondContact O-CA 3.23Å; Q96-K99 PolarHBondContact O-N 2.85Å |
| 100 | E | 81.9 | Confident | 82.4 | Confident | 57 Ų | 57 | 63.4 Ų | 63.4 | 27% | 0.266 | 30% | 0.299 | S | S | . | . | trans | -65.3 | 132.9 | -175.9 | -176.6 | 48.9 | -140.8 | 0 | 0 | 111.8 | Q96 N102 N105 K106 L109 | Q96-E100 WeakPolarHBondContact O-CB 3.37Å; Q96-E100 PolarHBondContact O-N 2.83Å; E100-N102 WeakPolarHBondContact OE1-CB 3.23Å; E100-N102 PolarHBondContact OE1-N 3.23Å; E100-N105 HydrophobicContact CG-CB 3.61Å; E100-N105 WeakPolarHBondContact OE1-CB 3.2Å; E100-N105 PolarHBondContact OE1-ND2 3.37Å; E100-K106 HydrophobicContact CB-CB 4.42Å; E100-K106 HydrophobicContact CG-CB 4.18Å; E100-L109 HydrophobicContact CB-CD1 3.98Å; E100-L109 HydrophobicContact CG-CD1 4.08Å | ||
| 101 | K | 68.8 | Low | 82.4 | Confident | 117 Ų | 117 | 67 Ų | 67 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | trans | -97.8 | -31.5 | -174.2 | -63 | -176.2 | -178.5 | -179.3 | 0 | 112.8 | K103 S267 N298 | K101-K103 PolarHBondContact O-N 3.13Å; K101-S267 PolarHBondContact NZ-OG 3.11Å; K101-N298 PolarHBondContact NZ-OD1 3Å | ||
| 102 | N | 79.6 | Confident | 82.5 | Confident | 68 Ų | 68 | 69.2 Ų | 69.2 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | trans | -74.2 | 128.7 | 177.8 | -177.6 | 17.6 | 0 | 0 | 0 | 110.1 | E100 D104 N105 K106 | E100-N102 WeakPolarHBondContact OE1-CB 3.23Å; E100-N102 PolarHBondContact OE1-N 3.23Å; N102-D104 PolarHBondContact O-N 3.03Å; N102-D104 PolarHBondContact OD1-N 3.42Å; N102-N105 HydrophobicContact CB-CB 3.97Å; N102-N105 VanDerWaalsContact ND2-CG 3.32Å; N102-N105 PolarHBondContact ND2-OD1 3.02Å; N102-K106 WeakPolarHBondContact O-CB 3.34Å; N102-K106 PolarHBondContact O-N 3.4Å | ||
| 103 | K | 74.3 | Confident | 82.5 | Confident | 110 Ų | 110 | 68 Ų | 68 | 48% | 0.478 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.7 | -31.8 | -178.6 | -63.4 | -179.8 | -166.3 | -105.1 | 0 | 112.3 | K101 K107 E300 | K101-K103 PolarHBondContact O-N 3.13Å; K103-K107 VanDerWaalsContact O-CG 3.27Å; K103-K107 WeakPolarHBondContact O-CG 3.11Å; K103-K107 PolarHBondContact O-N 3.31Å; K103-K107 VanDerWaalsContact O-N 3.16Å; K103-E300 WeakPolarHBondContact CE-OE1 3.48Å; K103-E300 WeakPolarHBondContact CE-OE2 3.43Å; K103-E300 VanDerWaalsContact NZ-CD 3.3Å; K103-E300 IonicContact NZ-OE1 3.79Å; K103-E300 PolarHBondContact NZ-OE1 3.44Å; K103-E300 VanDerWaalsContact NZ-OE1 3.16Å; K103-E300 IonicContact NZ-OE2 2.62Å; K103-E300 PolarHBondContact NZ-OE2 3.49Å |
| 104 | D | 79.4 | Confident | 82.5 | Confident | 85 Ų | 85 | 69.2 Ų | 69.2 | 46% | 0.455 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -82.6 | -50.1 | -177.9 | -59.6 | -42 | 0 | 0 | 0 | 111.4 | N102 K106 K107 D108 | N102-D104 PolarHBondContact O-N 3.03Å; N102-D104 PolarHBondContact OD1-N 3.42Å; D104-K106 PolarHBondContact O-N 3.26Å; D104-K106 VanDerWaalsContact O-N 3.09Å; D104-K107 WeakPolarHBondContact O-CA 3.46Å; D104-K107 WeakPolarHBondContact O-CB 3.16Å; D104-K107 PolarHBondContact O-N 3.42Å; D104-K107 IonicContact OD1-NZ 2.72Å; D104-K107 PolarHBondContact OD1-NZ 3.1Å; D104-D108 PolarHBondContact O-N 2.79Å |
| 105 | N | 82.3 | Confident | 82.7 | Confident | 73 Ų | 73 | 74.1 Ų | 74.1 | 39% | 0.39 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -49.4 | -40.6 | 168.5 | -60.5 | 2.3 | 0 | 0 | 0 | 112.1 | E100 N102 D108 L109 | E100-N105 HydrophobicContact CG-CB 3.61Å; E100-N105 WeakPolarHBondContact OE1-CB 3.2Å; E100-N105 PolarHBondContact OE1-ND2 3.37Å; N102-N105 HydrophobicContact CB-CB 3.97Å; N102-N105 VanDerWaalsContact ND2-CG 3.32Å; N102-N105 PolarHBondContact ND2-OD1 3.02Å; N105-D108 PolarHBondContact O-N 2.7Å; N105-L109 WeakPolarHBondContact O-CG 3.31Å; N105-L109 PolarHBondContact O-N 2.83Å |
| 106 | K | 82.8 | Confident | 83 | Confident | 73 Ų | 73 | 70.4 Ų | 70.4 | 32% | 0.317 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.3 | -39 | 178.2 | -179.8 | 174.6 | 174.4 | -179.5 | 0 | 112.6 | A97 E100 N102 D104 D108 I110 | A97-K106 HydrophobicContact CB-CG 4.31Å; A97-K106 WeakPolarHBondContact O-CD 3.43Å; A97-K106 VanDerWaalsContact O-CE 3.22Å; A97-K106 WeakPolarHBondContact O-CE 3.46Å; E100-K106 HydrophobicContact CB-CB 4.42Å; E100-K106 HydrophobicContact CG-CB 4.18Å; N102-K106 WeakPolarHBondContact O-CB 3.34Å; N102-K106 PolarHBondContact O-N 3.4Å; D104-K106 PolarHBondContact O-N 3.26Å; D104-K106 VanDerWaalsContact O-N 3.09Å; K106-D108 VanDerWaalsContact C-N 3.35Å; K106-I110 HydrophobicContact CG-CD1 4.12Å; K106-I110 WeakPolarHBondContact O-CB 3.4Å; K106-I110 WeakPolarHBondContact O-CD1 3.41Å; K106-I110 VanDerWaalsContact O-CG1 3.23Å; K106-I110 WeakPolarHBondContact O-CG1 3.44Å; K106-I110 PolarHBondContact O-N 2.86Å |
| 107 | K | 84 | Confident | 83.2 | Confident | 118 Ų | 118 | 67.9 Ų | 67.9 | 51% | 0.513 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63 | -43.7 | 170.4 | -70.2 | 162.3 | -162.3 | 164 | 0 | 110.2 | K103 D104 I110 T111 | K103-K107 VanDerWaalsContact O-CG 3.27Å; K103-K107 WeakPolarHBondContact O-CG 3.11Å; K103-K107 PolarHBondContact O-N 3.31Å; K103-K107 VanDerWaalsContact O-N 3.16Å; D104-K107 WeakPolarHBondContact O-CA 3.46Å; D104-K107 WeakPolarHBondContact O-CB 3.16Å; D104-K107 PolarHBondContact O-N 3.42Å; D104-K107 IonicContact OD1-NZ 2.72Å; D104-K107 PolarHBondContact OD1-NZ 3.1Å; K107-I110 CarbonylContact O-C 3.6Å; K107-I110 WeakPolarHBondContact O-CA 3.33Å; K107-I110 WeakPolarHBondContact O-CB 3.45Å; K107-I110 PolarHBondContact O-N 2.65Å; K107-I110 VanDerWaalsContact O-N 3.12Å; K107-T111 WeakPolarHBondContact O-CG2 3.2Å; K107-T111 PolarHBondContact O-N 3.01Å |
| 108 | D | 87.2 | Confident | 83.4 | Confident | 87 Ų | 87 | 70.7 Ų | 70.7 | 47% | 0.465 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.3 | -49.9 | -178.1 | -62.8 | -26.6 | 0 | 0 | 0 | 110.9 | D104 N105 K106 I110 T111 Q112 | D104-D108 PolarHBondContact O-N 2.79Å; N105-D108 PolarHBondContact O-N 2.7Å; K106-D108 VanDerWaalsContact C-N 3.35Å; D108-I110 VanDerWaalsContact C-N 3.29Å; D108-I110 PolarHBondContact O-N 3.2Å; D108-T111 PolarHBondContact O-N 3.36Å; D108-T111 PolarHBondContact O-OG1 3.28Å; D108-Q112 WeakPolarHBondContact O-CG 3.25Å; D108-Q112 PolarHBondContact O-N 3.38Å |
| 109 | L | 88.1 | Confident | 83.8 | Confident | 16 Ų | 16 | 68.9 Ų | 68.9 | 8% | 0.084 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.2 | -37.8 | 172.9 | -69.7 | 166.8 | 0 | 0 | 0 | 112.7 | Y93 Q96 A97 E100 N105 A113 | Y93-L109 HydrophobicContact CD1-CD2 3.82Å; Y93-L109 HydrophobicContact CE1-CD2 4.48Å; Y93-L109 HydrophobicContact CG-CD2 4.45Å; Q96-L109 HydrophobicContact CB-CD1 4.13Å; Q96-L109 HydrophobicContact CB-CD2 4.41Å; Q96-L109 HydrophobicContact CG-CD1 3.78Å; Q96-L109 HydrophobicContact CG-CD2 4.26Å; A97-L109 HydrophobicContact CB-CB 4.02Å; E100-L109 HydrophobicContact CB-CD1 3.98Å; E100-L109 HydrophobicContact CG-CD1 4.08Å; N105-L109 WeakPolarHBondContact O-CG 3.31Å; N105-L109 PolarHBondContact O-N 2.83Å; L109-A113 WeakPolarHBondContact O-CB 3.48Å; L109-A113 PolarHBondContact O-N 3.12Å |
| 110 | I | 86 | Confident | 84.2 | Confident | 34 Ų | 34 | 61.4 Ų | 61.4 | 17% | 0.174 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65 | -44.7 | 173 | -77.4 | 168.5 | 0 | 0 | 0 | 110.9 | A97 K106 K107 D108 A113 T114 F137 E141 | A97-I110 HydrophobicContact CB-CG1 4.02Å; K106-I110 HydrophobicContact CG-CD1 4.12Å; K106-I110 WeakPolarHBondContact O-CB 3.4Å; K106-I110 WeakPolarHBondContact O-CD1 3.41Å; K106-I110 VanDerWaalsContact O-CG1 3.23Å; K106-I110 WeakPolarHBondContact O-CG1 3.44Å; K106-I110 PolarHBondContact O-N 2.86Å; K107-I110 CarbonylContact O-C 3.6Å; K107-I110 WeakPolarHBondContact O-CA 3.33Å; K107-I110 WeakPolarHBondContact O-CB 3.45Å; K107-I110 PolarHBondContact O-N 2.65Å; K107-I110 VanDerWaalsContact O-N 3.12Å; D108-I110 VanDerWaalsContact C-N 3.29Å; D108-I110 PolarHBondContact O-N 3.2Å; I110-A113 PolarHBondContact O-N 2.83Å; I110-T114 WeakPolarHBondContact O-CG2 3.33Å; I110-T114 PolarHBondContact O-N 3.08Å; I110-F137 HydrophobicContact CG2-CE2 4.24Å; I110-F137 HydrophobicContact CG2-CZ 4.27Å; I110-E141 VanDerWaalsContact CG2-OE1 3.26Å; I110-E141 WeakPolarHBondContact CG2-OE1 3.36Å |
| 111 | T | 87.8 | Confident | 84.3 | Confident | 77 Ų | 77 | 60.7 Ų | 60.7 | 47% | 0.472 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 178.5 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | K107 D108 A113 T114 L115 | K107-T111 WeakPolarHBondContact O-CG2 3.2Å; K107-T111 PolarHBondContact O-N 3.01Å; D108-T111 PolarHBondContact O-N 3.36Å; D108-T111 PolarHBondContact O-OG1 3.28Å; T111-A113 PolarHBondContact O-N 3.44Å; T111-T114 WeakPolarHBondContact CA-OG1 3.43Å; T111-T114 PolarHBondContact O-N 3.06Å; T111-T114 VanDerWaalsContact O-N 3.15Å; T111-T114 PolarHBondContact O-OG1 3.46Å; T111-L115 PolarHBondContact O-N 3.13Å |
| 112 | Q | 87.4 | Confident | 85.1 | Confident | 81 Ų | 81 | 63.2 Ų | 63.2 | 38% | 0.379 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.6 | -46.8 | 173 | -69.3 | 169.1 | -2.7 | 0 | 0 | 110.9 | Y93 D108 T114 L115 L116 | Y93-Q112 HydrophobicContact CD2-CB 3.96Å; Y93-Q112 HydrophobicContact CE2-CB 4.17Å; D108-Q112 WeakPolarHBondContact O-CG 3.25Å; D108-Q112 PolarHBondContact O-N 3.38Å; Q112-T114 PolarHBondContact O-N 2.89Å; Q112-L115 PolarHBondContact O-N 3.28Å; Q112-L116 WeakPolarHBondContact O-CG 3.31Å; Q112-L116 PolarHBondContact O-N 3.49Å |
| 113 | A | 87.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V94 L109 I110 T111 L115 L116 Y117 F137 | V94-A113 HydrophobicContact CG2-CB 4.13Å; L109-A113 WeakPolarHBondContact O-CB 3.48Å; L109-A113 PolarHBondContact O-N 3.12Å; I110-A113 PolarHBondContact O-N 2.83Å; T111-A113 PolarHBondContact O-N 3.44Å; A113-L115 VanDerWaalsContact C-N 3.33Å; A113-L115 PolarHBondContact O-N 3.35Å; A113-L116 PolarHBondContact O-N 2.61Å; A113-Y117 WeakPolarHBondContact O-CB 3.44Å; A113-Y117 VanDerWaalsContact O-CD2 3.22Å; A113-Y117 WeakPolarHBondContact O-CD2 2.9Å; A113-Y117 PolarHBondContact O-N 3.09Å; A113-F137 HydrophobicContact CB-CD2 4.16Å; A113-F137 HydrophobicContact CB-CE2 4.13Å |
| 114 | T | 87.7 | Confident | 85.6 | Confident | 44 Ų | 44 | 60.6 Ų | 60.6 | 27% | 0.27 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 175.6 | 62.1 | 0 | 0 | 0 | 0 | 112.1 | I110 T111 Q112 T118 F137 | I110-T114 WeakPolarHBondContact O-CG2 3.33Å; I110-T114 PolarHBondContact O-N 3.08Å; T111-T114 WeakPolarHBondContact CA-OG1 3.43Å; T111-T114 PolarHBondContact O-N 3.06Å; T111-T114 VanDerWaalsContact O-N 3.15Å; T111-T114 PolarHBondContact O-OG1 3.46Å; Q112-T114 PolarHBondContact O-N 2.89Å; T114-T118 WeakPolarHBondContact O-CB 3.48Å; T114-T118 PolarHBondContact O-N 2.68Å; T114-T118 PolarHBondContact O-OG1 3.39Å; T114-F137 HydrophobicContact CG2-CE1 3.92Å; T114-F137 HydrophobicContact CG2-CE2 3.89Å; T114-F137 HydrophobicContact CG2-CZ 3.23Å |
| 115 | L | 89.6 | Confident | 85.6 | Confident | 108 Ų | 108 | 61 Ų | 61 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.7 | -50.3 | -179.6 | 179 | 60.9 | 0 | 0 | 0 | 110.4 | T111 Q112 A113 T118 M119 | T111-L115 PolarHBondContact O-N 3.13Å; Q112-L115 PolarHBondContact O-N 3.28Å; A113-L115 VanDerWaalsContact C-N 3.33Å; A113-L115 PolarHBondContact O-N 3.35Å; L115-T118 CarbonylContact O-C 3.42Å; L115-T118 PolarHBondContact O-N 2.94Å; L115-M119 HydrophobicContact CD1-SD 4.36Å; L115-M119 HydrophobicContact CG-SD 4.23Å; L115-M119 WeakPolarHBondContact O-CG 3.24Å; L115-M119 PolarHBondContact O-N 3.38Å |
| 116 | L | 88.3 | Confident | 85.5 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.6 | -45.8 | -179.9 | -65.9 | 178.4 | 0 | 0 | 0 | 112.5 | L86 L89 A90 Y93 Q112 A113 T118 M119 A120 | L86-L116 HydrophobicContact CD2-CD2 3.71Å; L89-L116 HydrophobicContact CB-CD1 4.06Å; L89-L116 HydrophobicContact CD2-CD1 3.69Å; L89-L116 HydrophobicContact CD2-CD2 4.39Å; L89-L116 HydrophobicContact CG-CD1 3.56Å; A90-L116 HydrophobicContact CB-CB 3.76Å; A90-L116 HydrophobicContact CB-CD1 4.28Å; Y93-L116 HydrophobicContact CD2-CD1 3.79Å; Y93-L116 HydrophobicContact CE2-CD1 3.69Å; Q112-L116 WeakPolarHBondContact O-CG 3.31Å; Q112-L116 PolarHBondContact O-N 3.49Å; A113-L116 PolarHBondContact O-N 2.61Å; L116-T118 VanDerWaalsContact C-N 3.28Å; L116-T118 PolarHBondContact O-N 3.47Å; L116-M119 WeakPolarHBondContact O-CB 3.39Å; L116-M119 PolarHBondContact O-N 2.86Å; L116-M119 VanDerWaalsContact O-N 3.09Å; L116-A120 PolarHBondContact O-N 2.93Å |
| 117 | Y | 88.3 | Confident | 85.6 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 174.2 | -81.6 | -56.1 | 0 | 0 | 0 | 112 | D87 A90 A91 V94 A113 M119 A120 D121 F137 | D87-Y117 WeakPolarHBondContact OD1-CD1 3.01Å; D87-Y117 WeakPolarHBondContact OD1-CE1 3.22Å; A90-Y117 HydrophobicContact CB-CD1 4.06Å; A90-Y117 HydrophobicContact CB-CD2 3.78Å; A90-Y117 HydrophobicContact CB-CE1 3.87Å; A90-Y117 HydrophobicContact CB-CE2 3.58Å; A90-Y117 HydrophobicContact CB-CG 3.99Å; A91-Y117 WeakPolarHBondContact CA-OH 3.39Å; A91-Y117 PolarHBondContact N-OH 3.29Å; V94-Y117 HydrophobicContact CG2-CE2 3.98Å; A113-Y117 WeakPolarHBondContact O-CB 3.44Å; A113-Y117 VanDerWaalsContact O-CD2 3.22Å; A113-Y117 WeakPolarHBondContact O-CD2 2.9Å; A113-Y117 PolarHBondContact O-N 3.09Å; Y117-M119 VanDerWaalsContact C-N 3.26Å; Y117-M119 PolarHBondContact O-N 2.98Å; Y117-A120 PolarHBondContact O-N 3.1Å; Y117-D121 WeakPolarHBondContact O-CB 3.04Å; Y117-D121 PolarHBondContact O-N 3.12Å; Y117-D121 VanDerWaalsContact O-OD2 3.11Å; Y117-F137 HydrophobicContact CD2-CB 4Å; Y117-F137 HydrophobicContact CD2-CD2 4.07Å; Y117-F137 AromaticContact CD2-CG 3.98Å; Y117-F137 HydrophobicContact CD2-CG 3.98Å; Y117-F137 HydrophobicContact CE2-CB 3.68Å; Y117-F137 HydrophobicContact CE2-CD2 4.1Å; Y117-F137 HydrophobicContact CE2-CG 4.06Å |
| 118 | T | 88 | Confident | 85.6 | Confident | 62 Ų | 62 | 60.4 Ų | 60.4 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -75.3 | -14.3 | 178.1 | -50.4 | 0 | 0 | 0 | 0 | 112.9 | T114 L115 L116 K122 R134 | T114-T118 WeakPolarHBondContact O-CB 3.48Å; T114-T118 PolarHBondContact O-N 2.68Å; T114-T118 PolarHBondContact O-OG1 3.39Å; L115-T118 CarbonylContact O-C 3.42Å; L115-T118 PolarHBondContact O-N 2.94Å; L116-T118 VanDerWaalsContact C-N 3.28Å; L116-T118 PolarHBondContact O-N 3.47Å; T118-K122 WeakPolarHBondContact O-CE 3.39Å; T118-K122 WeakPolarHBondContact O-CG 3.39Å; T118-R134 PolarHBondContact OG1-NH2 3.15Å; T118-R134 VanDerWaalsContact OG1-NH2 3.14Å |
| 119 | M | 83.8 | Confident | 85.3 | Confident | 71 Ų | 71 | 60.7 Ų | 60.7 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -82 | -43 | 166.3 | -72.1 | 175.5 | 66.1 | 0 | 0 | 111 | L86 L115 L116 Y117 K122 | L86-M119 HydrophobicContact CD1-CB 4.16Å; L115-M119 HydrophobicContact CD1-SD 4.36Å; L115-M119 HydrophobicContact CG-SD 4.23Å; L115-M119 WeakPolarHBondContact O-CG 3.24Å; L115-M119 PolarHBondContact O-N 3.38Å; L116-M119 WeakPolarHBondContact O-CB 3.39Å; L116-M119 PolarHBondContact O-N 2.86Å; L116-M119 VanDerWaalsContact O-N 3.09Å; Y117-M119 VanDerWaalsContact C-N 3.26Å; Y117-M119 PolarHBondContact O-N 2.98Å; M119-K122 WeakPolarHBondContact O-CB 3.28Å; M119-K122 PolarHBondContact O-N 3.44Å |
| 120 | A | 85.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.9 | -37.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | M83 L86 L116 Y117 K122 I123 I124 H130 | M83-A120 HydrophobicContact CG-CB 4.24Å; L86-A120 HydrophobicContact CB-CB 4.08Å; L86-A120 HydrophobicContact CD1-CB 4.33Å; L116-A120 PolarHBondContact O-N 2.93Å; Y117-A120 PolarHBondContact O-N 3.1Å; A120-K122 PolarHBondContact O-N 2.96Å; A120-I123 PolarHBondContact O-N 3.1Å; A120-I124 PolarHBondContact O-N 3.21Å; A120-H130 VanDerWaalsContact CB-CE1 3.49Å; A120-H130 WeakPolarHBondContact CB-CE1 3.25Å |
| 121 | D | 84.3 | Confident | 85.1 | Confident | 42 Ų | 42 | 58.6 Ų | 58.6 | 23% | 0.225 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -30.7 | 172.1 | -86.3 | -57.4 | 0 | 0 | 0 | 112.1 | Y117 H130 R134 | Y117-D121 WeakPolarHBondContact O-CB 3.04Å; Y117-D121 PolarHBondContact O-N 3.12Å; Y117-D121 VanDerWaalsContact O-OD2 3.11Å; D121-H130 IonicContact OD1-NE2 3Å; D121-H130 PolarHBondContact OD1-NE2 2.83Å; D121-R134 IonicContact OD1-NE 2.74Å; D121-R134 IonicContact OD2-CZ 3.42Å; D121-R134 IonicContact OD2-NE 2.65Å; D121-R134 PolarHBondContact OD2-NE 3.25Å; D121-R134 IonicContact OD2-NH2 3.89Å; D121-R134 PolarHBondContact OD2-NH2 3.18Å |
| 122 | K | 84.9 | Confident | 84.9 | Confident | 171 Ų | 171 | 56.1 Ų | 56.1 | 74% | 0.743 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -15.8 | -179.5 | -63.8 | 173.1 | -175.8 | 176.8 | 0 | 114.1 | T118 M119 A120 | T118-K122 WeakPolarHBondContact O-CE 3.39Å; T118-K122 WeakPolarHBondContact O-CG 3.39Å; M119-K122 WeakPolarHBondContact O-CB 3.28Å; M119-K122 PolarHBondContact O-N 3.44Å; A120-K122 PolarHBondContact O-N 2.96Å |
| 123 | I | 83.2 | Confident | 84.7 | Confident | 56 Ų | 56 | 52.9 Ų | 52.9 | 29% | 0.287 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -66.5 | -177.3 | -48.4 | 177.5 | 0 | 0 | 0 | 109 | E79 Q82 L86 A120 | E79-I123 HydrophobicContact CB-CG2 3.84Å; E79-I123 HydrophobicContact CG-CG2 4.43Å; E79-I123 WeakPolarHBondContact O-CG2 3.13Å; Q82-I123 HydrophobicContact CG-CD1 4.23Å; L86-I123 HydrophobicContact CD1-CD1 3.8Å; A120-I123 PolarHBondContact O-N 3.1Å |
| 124 | I | 82.3 | Confident | 84.5 | Confident | 67 Ų | 67 | 54.9 Ų | 54.9 | 34% | 0.344 | 27% | 0.272 | S | S | . | . | trans | -140.4 | 94.5 | 172.7 | -39.7 | -178.1 | 0 | 0 | 0 | 111.1 | M83 A120 Y126 | M83-I124 HydrophobicContact CE-CB 3.55Å; M83-I124 HydrophobicContact CE-CD1 3.61Å; M83-I124 HydrophobicContact CE-CG1 3.66Å; A120-I124 PolarHBondContact O-N 3.21Å; I124-Y126 VanDerWaalsContact C-N 3.29Å; I124-Y126 PolarHBondContact O-N 2.91Å | ||
| 125 | M | 78.2 | Confident | 84.4 | Confident | 92 Ų | 92 | 52.8 Ų | 52.8 | 45% | 0.453 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -25.1 | -175.6 | -169.4 | 175.7 | 62.5 | 0 | 0 | 115.5 | L131 | M125-L131 WeakPolarHBondContact O-CD2 3.46Š|
| 126 | Y | 81.1 | Confident | 84 | Confident | 145 Ų | 145 | 49.3 Ų | 49.3 | 57% | 0.569 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | 15.4 | -171.3 | -72.4 | -62 | 0 | 0 | 0 | 115.3 | I124 Q158 | I124-Y126 VanDerWaalsContact C-N 3.29Å; I124-Y126 PolarHBondContact O-N 2.91Å; Y126-Q158 PolarHBondContact O-NE2 3.33Å |
| 127 | D | 85.3 | Confident | 83.8 | Confident | 35 Ų | 35 | 49.1 Ų | 49.1 | 19% | 0.187 | 24% | 0.242 | C | C | . | . | trans | -68.2 | 143.6 | 178.4 | -174.2 | 81.2 | 0 | 0 | 0 | 113.3 | K80 M83 N129 H130 L131 | K80-D127 IonicContact NZ-OD1 2.8Å; K80-D127 PolarHBondContact NZ-OD1 2.73Å; K80-D127 IonicContact NZ-OD2 3.43Å; K80-D127 PolarHBondContact NZ-OD2 3.24Å; M83-D127 HydrophobicContact CE-CB 3.98Å; M83-D127 HydrophobicContact SD-CB 3.91Å; D127-N129 VanDerWaalsContact C-N 3.32Å; D127-N129 PolarHBondContact O-N 3.28Å; D127-N129 PolarHBondContact OD2-N 3.32Å; D127-H130 HydrophobicContact CB-CB 3.86Å; D127-H130 PolarHBondContact O-N 2.99Å; D127-H130 PolarHBondContact OD2-N 3.47Å; D127-L131 WeakPolarHBondContact O-CB 3.22Å; D127-L131 VanDerWaalsContact O-CG 3.23Å; D127-L131 WeakPolarHBondContact O-CG 3.44Å; D127-L131 PolarHBondContact O-N 3.36Å | ||
| 128 | Q | 82.7 | Confident | 83.6 | Confident | 72 Ų | 72 | 49.2 Ų | 49.2 | 34% | 0.336 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.3 | -39 | -176.8 | -167.7 | -163.6 | 9.3 | 0 | 0 | 113.1 | L132 V155 S159 N162 | Q128-L132 WeakPolarHBondContact O-CB 3.34Å; Q128-L132 PolarHBondContact O-N 2.68Å; Q128-V155 HydrophobicContact CG-CG1 4.09Å; Q128-S159 PolarHBondContact NE2-OG 2.9Å; Q128-N162 PolarHBondContact NE2-ND2 3.02Å; Q128-N162 VanDerWaalsContact NE2-ND2 3.19Å |
| 129 | N | 81.4 | Confident | 83.2 | Confident | 93 Ų | 93 | 47.9 Ų | 47.9 | 50% | 0.497 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -83.4 | -37.7 | -179.2 | -71.1 | -27.7 | 0 | 0 | 0 | 111.2 | D127 L132 G133 | D127-N129 VanDerWaalsContact C-N 3.32Å; D127-N129 PolarHBondContact O-N 3.28Å; D127-N129 PolarHBondContact OD2-N 3.32Å; N129-L132 WeakPolarHBondContact O-CB 3.28Å; N129-L132 PolarHBondContact O-N 2.88Å; N129-G133 PolarHBondContact O-N 2.94Å |
| 130 | H | 84.5 | Confident | 82.9 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.7 | -53.2 | 174 | -175.9 | 60.9 | 0 | 0 | 0 | 111.6 | M83 D87 A120 D121 D127 L132 G133 R134 | M83-H130 HydrophobicContact SD-CB 4.23Å; D87-H130 VanDerWaalsContact CG-ND1 3.34Å; D87-H130 IonicContact OD1-CE1 2.67Å; D87-H130 IonicContact OD1-CG 3.07Å; D87-H130 IonicContact OD1-ND1 2.7Å; D87-H130 PolarHBondContact OD1-ND1 3.11Å; D87-H130 WeakPolarHBondContact OD2-CA 3.21Å; D87-H130 WeakPolarHBondContact OD2-CB 3.49Å; D87-H130 IonicContact OD2-CG 2.83Å; D87-H130 IonicContact OD2-ND1 3.98Å; D87-H130 PolarHBondContact OD2-ND1 3.33Å; D87-H130 VanDerWaalsContact OD2-ND1 3.16Å; A120-H130 VanDerWaalsContact CB-CE1 3.49Å; A120-H130 WeakPolarHBondContact CB-CE1 3.25Å; D121-H130 IonicContact OD1-NE2 3Å; D121-H130 PolarHBondContact OD1-NE2 2.83Å; D127-H130 HydrophobicContact CB-CB 3.86Å; D127-H130 PolarHBondContact O-N 2.99Å; D127-H130 PolarHBondContact OD2-N 3.47Å; H130-L132 PolarHBondContact O-N 3.43Å; H130-G133 PolarHBondContact O-N 3.09Å; H130-G133 VanDerWaalsContact O-N 3.11Å; H130-R134 WeakPolarHBondContact O-CB 3.43Å; H130-R134 PolarHBondContact O-N 3.46Å |
| 131 | L | 85.1 | Confident | 82.5 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.7 | -34.9 | 177.1 | -69.7 | 172.7 | 0 | 0 | 0 | 112.2 | M125 D127 A135 F154 V155 | M125-L131 WeakPolarHBondContact O-CD2 3.46Å; D127-L131 WeakPolarHBondContact O-CB 3.22Å; D127-L131 VanDerWaalsContact O-CG 3.23Å; D127-L131 WeakPolarHBondContact O-CG 3.44Å; D127-L131 PolarHBondContact O-N 3.36Å; L131-A135 WeakPolarHBondContact O-CB 3.37Å; L131-A135 PolarHBondContact O-N 2.94Å; L131-F154 HydrophobicContact CD1-CB 4.34Å; L131-V155 HydrophobicContact CB-CG2 3.48Å; L131-V155 VanDerWaalsContact CB-CG2 3.48Å; L131-V155 HydrophobicContact CD1-CG2 4.39Å |
| 132 | L | 84 | Confident | 81.7 | Confident | 25 Ų | 25 | 49.5 Ų | 49.5 | 13% | 0.131 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.2 | -46.1 | 175.2 | -175.2 | 78.5 | 0 | 0 | 0 | 111.8 | Q128 N129 H130 A135 C136 F152 P164 A165 | Q128-L132 WeakPolarHBondContact O-CB 3.34Å; Q128-L132 PolarHBondContact O-N 2.68Å; N129-L132 WeakPolarHBondContact O-CB 3.28Å; N129-L132 PolarHBondContact O-N 2.88Å; H130-L132 PolarHBondContact O-N 3.43Å; L132-A135 PolarHBondContact O-N 2.91Å; L132-C136 WeakPolarHBondContact O-CB 3.47Å; L132-C136 PolarHBondContact O-N 3.13Å; L132-C136 PolarHBondContact O-SG 2.96Å; L132-F152 HydrophobicContact CD1-CD1 4.07Å; L132-F152 HydrophobicContact CD1-CE1 3.8Å; L132-P164 HydrophobicContact CD1-CB 3.66Å; L132-P164 HydrophobicContact CD2-CB 3.64Å; L132-P164 HydrophobicContact CD2-CG 4.22Å; L132-P164 HydrophobicContact CG-CB 4.21Å; L132-A165 HydrophobicContact CD1-CB 4.02Å |
| 133 | G | 83.3 | Confident | 81 | Confident | 13 Ų | 13 | 48.5 Ų | 48.5 | 13% | 0.134 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.3 | -49.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N129 H130 A135 C136 F137 | N129-G133 PolarHBondContact O-N 2.94Å; H130-G133 PolarHBondContact O-N 3.09Å; H130-G133 VanDerWaalsContact O-N 3.11Å; G133-A135 VanDerWaalsContact C-N 3.33Å; G133-A135 PolarHBondContact O-N 3.37Å; G133-C136 CarbonylContact O-C 3.52Å; G133-C136 WeakPolarHBondContact O-CA 3.33Å; G133-C136 WeakPolarHBondContact O-CB 3.17Å; G133-C136 PolarHBondContact O-N 3.19Å; G133-C136 VanDerWaalsContact O-N 3.08Å; G133-F137 PolarHBondContact O-N 2.89Å |
| 134 | R | 84.3 | Confident | 80.9 | Confident | 41 Ų | 41 | 49.8 Ų | 49.8 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 176.6 | -155.7 | 67.9 | 163.5 | 127.9 | -14.5 | 112.2 | T118 D121 H130 F137 C138 | T118-R134 PolarHBondContact OG1-NH2 3.15Å; T118-R134 VanDerWaalsContact OG1-NH2 3.14Å; D121-R134 IonicContact OD1-NE 2.74Å; D121-R134 IonicContact OD2-CZ 3.42Å; D121-R134 IonicContact OD2-NE 2.65Å; D121-R134 PolarHBondContact OD2-NE 3.25Å; D121-R134 IonicContact OD2-NH2 3.89Å; D121-R134 PolarHBondContact OD2-NH2 3.18Å; H130-R134 WeakPolarHBondContact O-CB 3.43Å; H130-R134 PolarHBondContact O-N 3.46Å; R134-F137 PolarHBondContact O-N 3Å; R134-C138 PolarHBondContact O-N 3.1Å; R134-C138 PolarHBondContact O-SG 2.8Å; R134-C138 VanDerWaalsContact O-SG 3.39Å |
| 135 | A | 84.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.3 | -39.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L131 L132 G133 F137 C138 L139 Q151 F152 | L131-A135 WeakPolarHBondContact O-CB 3.37Å; L131-A135 PolarHBondContact O-N 2.94Å; L132-A135 PolarHBondContact O-N 2.91Å; G133-A135 VanDerWaalsContact C-N 3.33Å; G133-A135 PolarHBondContact O-N 3.37Å; A135-F137 VanDerWaalsContact C-N 3.33Å; A135-C138 PolarHBondContact O-N 3.28Å; A135-L139 WeakPolarHBondContact O-CB 3.34Å; A135-L139 PolarHBondContact O-N 2.94Å; A135-L139 VanDerWaalsContact O-N 3.1Å; A135-Q151 HydrophobicContact CB-CB 3.72Å; A135-F152 HydrophobicContact CB-CD1 3.6Å; A135-F152 HydrophobicContact CB-CD2 3.75Å; A135-F152 HydrophobicContact CB-CE1 3.51Å; A135-F152 HydrophobicContact CB-CE2 3.64Å; A135-F152 HydrophobicContact CB-CG 3.73Å; A135-F152 HydrophobicContact CB-CZ 3.52Å |
| 136 | C | 82.4 | Confident | 81.2 | Confident | 35 Ų | 35 | 49.2 Ų | 49.2 | 24% | 0.236 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.7 | -28.5 | 175.4 | -68.7 | 0 | 0 | 0 | 0 | 113.3 | L132 G133 | L132-C136 WeakPolarHBondContact O-CB 3.47Å; L132-C136 PolarHBondContact O-N 3.13Å; L132-C136 PolarHBondContact O-SG 2.96Å; G133-C136 CarbonylContact O-C 3.52Å; G133-C136 WeakPolarHBondContact O-CA 3.33Å; G133-C136 WeakPolarHBondContact O-CB 3.17Å; G133-C136 PolarHBondContact O-N 3.19Å; G133-C136 VanDerWaalsContact O-N 3.08Å |
| 137 | F | 84.1 | Confident | 81.4 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.7 | -53.2 | 169.8 | 173 | -89.1 | 0 | 0 | 0 | 110.9 | V94 I110 A113 T114 Y117 G133 R134 A135 L139 L140 E141 | V94-F137 HydrophobicContact CG2-CB 4.13Å; V94-F137 HydrophobicContact CG2-CD2 3.65Å; V94-F137 HydrophobicContact CG2-CG 4.39Å; I110-F137 HydrophobicContact CG2-CE2 4.24Å; I110-F137 HydrophobicContact CG2-CZ 4.27Å; A113-F137 HydrophobicContact CB-CD2 4.16Å; A113-F137 HydrophobicContact CB-CE2 4.13Å; T114-F137 HydrophobicContact CG2-CE1 3.92Å; T114-F137 HydrophobicContact CG2-CE2 3.89Å; T114-F137 HydrophobicContact CG2-CZ 3.23Å; Y117-F137 HydrophobicContact CD2-CB 4Å; Y117-F137 HydrophobicContact CD2-CD2 4.07Å; Y117-F137 AromaticContact CD2-CG 3.98Å; Y117-F137 HydrophobicContact CD2-CG 3.98Å; Y117-F137 HydrophobicContact CE2-CB 3.68Å; Y117-F137 HydrophobicContact CE2-CD2 4.1Å; Y117-F137 HydrophobicContact CE2-CG 4.06Å; G133-F137 PolarHBondContact O-N 2.89Å; R134-F137 PolarHBondContact O-N 3Å; A135-F137 VanDerWaalsContact C-N 3.33Å; F137-L139 PolarHBondContact O-N 3.2Å; F137-L139 VanDerWaalsContact O-N 3.09Å; F137-L140 WeakPolarHBondContact O-CB 3.45Å; F137-L140 PolarHBondContact O-N 3Å; F137-E141 HydrophobicContact CD1-CG 4.1Å; F137-E141 HydrophobicContact CE1-CG 3.4Å; F137-E141 VanDerWaalsContact CE1-CG 3.4Å; F137-E141 HydrophobicContact CE2-CG 4.42Å; F137-E141 HydrophobicContact CZ-CG 3.56Å; F137-E141 WeakPolarHBondContact CZ-OE1 3.38Å; F137-E141 PolarHBondContact O-N 2.73Å |
| 138 | C | 83.1 | Confident | 81.4 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.027 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.2 | -22.4 | 179.1 | -68.6 | 0 | 0 | 0 | 0 | 113.5 | R134 A135 K144 A148 | R134-C138 PolarHBondContact O-N 3.1Å; R134-C138 PolarHBondContact O-SG 2.8Å; R134-C138 VanDerWaalsContact O-SG 3.39Å; A135-C138 PolarHBondContact O-N 3.28Å; C138-K144 HydrophobicContact CB-CB 4.16Å; C138-A148 HydrophobicContact CB-CB 3.78Å |
| 139 | L | 80.7 | Confident | 81.7 | Confident | 34 Ų | 34 | 43.7 Ų | 43.7 | 18% | 0.178 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -23.3 | 171.8 | -179.5 | 59.1 | 0 | 0 | 0 | 113.7 | A135 F137 M145 F152 C171 I172 | A135-L139 WeakPolarHBondContact O-CB 3.34Å; A135-L139 PolarHBondContact O-N 2.94Å; A135-L139 VanDerWaalsContact O-N 3.1Å; F137-L139 PolarHBondContact O-N 3.2Å; F137-L139 VanDerWaalsContact O-N 3.09Å; L139-M145 HydrophobicContact CD1-CE 3.85Å; L139-M145 HydrophobicContact CD1-SD 3.8Å; L139-F152 HydrophobicContact CD2-CE2 4.5Å; L139-C171 HydrophobicContact CD2-CB 4.32Å; L139-I172 HydrophobicContact CD1-CG1 3.87Å |
| 140 | L | 77.4 | Confident | 82 | Confident | 62 Ų | 62 | 41.1 Ų | 41.1 | 33% | 0.325 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -32.6 | 174.4 | -76.2 | -177.1 | 0 | 0 | 0 | 113.6 | V94 R98 F137 G142 | V94-L140 HydrophobicContact CB-CD1 4.36Å; V94-L140 HydrophobicContact CG1-CD1 3.85Å; V94-L140 HydrophobicContact CG2-CD1 4.35Å; V94-L140 WeakPolarHBondContact O-CD1 3.43Å; R98-L140 HydrophobicContact CG-CD1 3.87Å; R98-L140 HydrophobicContact CG-CD2 3.69Å; R98-L140 HydrophobicContact CG-CG 4.4Å; F137-L140 WeakPolarHBondContact O-CB 3.45Å; F137-L140 PolarHBondContact O-N 3Å; L140-G142 PolarHBondContact O-N 2.95Å; L140-G142 VanDerWaalsContact O-N 3.12Å |
| 141 | E | 75.1 | Confident | 82.1 | Confident | 43 Ų | 43 | 43 Ų | 43 | 20% | 0.201 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -60.1 | -17.6 | 175.8 | -66 | -76.1 | 94 | 0 | 0 | 113 | I110 F137 D143 K144 | I110-E141 VanDerWaalsContact CG2-OE1 3.26Å; I110-E141 WeakPolarHBondContact CG2-OE1 3.36Å; F137-E141 HydrophobicContact CD1-CG 4.1Å; F137-E141 HydrophobicContact CE1-CG 3.4Å; F137-E141 VanDerWaalsContact CE1-CG 3.4Å; F137-E141 HydrophobicContact CE2-CG 4.42Å; F137-E141 HydrophobicContact CZ-CG 3.56Å; F137-E141 WeakPolarHBondContact CZ-OE1 3.38Å; F137-E141 PolarHBondContact O-N 2.73Å; E141-D143 PolarHBondContact O-N 3.3Å; E141-K144 HydrophobicContact CB-CD 4.1Å; E141-K144 HydrophobicContact CG-CD 4.26Å; E141-K144 IonicContact OE2-NZ 2.69Å; E141-K144 PolarHBondContact OE2-NZ 3.38Å |
| 142 | G | 67.5 | Low | 82.3 | Confident | 42 Ų | 42 | 42.7 Ų | 42.7 | 43% | 0.433 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 74.2 | -42.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L140 M145 | L140-G142 PolarHBondContact O-N 2.95Å; L140-G142 VanDerWaalsContact O-N 3.12Å; G142-M145 WeakPolarHBondContact O-CG 3.47Å |
| 143 | D | 70.1 | Confident | 82.5 | Confident | 150 Ų | 150 | 46 Ų | 46 | 80% | 0.802 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -81.6 | -27.3 | -173 | -61.9 | -24.6 | 0 | 0 | 0 | 113.1 | E141 M145 | E141-D143 PolarHBondContact O-N 3.3Å; D143-M145 VanDerWaalsContact C-N 3.32Å; D143-M145 PolarHBondContact O-N 2.68Å |
| 144 | K | 81.5 | Confident | 82.7 | Confident | 83 Ų | 83 | 50.2 Ų | 50.2 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | trans | -96.7 | 34.2 | -165.8 | -64.1 | 161.1 | -166 | 160.6 | 0 | 112.6 | C138 E141 D146 Q147 A148 | C138-K144 HydrophobicContact CB-CB 4.16Å; E141-K144 HydrophobicContact CB-CD 4.1Å; E141-K144 HydrophobicContact CG-CD 4.26Å; E141-K144 IonicContact OE2-NZ 2.69Å; E141-K144 PolarHBondContact OE2-NZ 3.38Å; K144-D146 PolarHBondContact O-N 3.16Å; K144-Q147 HydrophobicContact CB-CB 4.36Å; K144-Q147 WeakPolarHBondContact O-CB 3.44Å; K144-Q147 PolarHBondContact O-N 2.6Å; K144-Q147 VanDerWaalsContact O-N 3.16Å; K144-A148 PolarHBondContact O-N 3.06Å | ||
| 145 | M | 83 | Confident | 82.9 | Confident | 32 Ų | 32 | 48.2 Ų | 48.2 | 16% | 0.158 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -38.6 | -168.8 | -65.6 | -65.6 | -85.2 | 0 | 0 | 114.1 | L139 G142 D143 A148 D149 I172 N175 | L139-M145 HydrophobicContact CD1-CE 3.85Å; L139-M145 HydrophobicContact CD1-SD 3.8Å; G142-M145 WeakPolarHBondContact O-CG 3.47Å; D143-M145 VanDerWaalsContact C-N 3.32Å; D143-M145 PolarHBondContact O-N 2.68Å; M145-A148 PolarHBondContact O-N 2.7Å; M145-D149 WeakPolarHBondContact O-CB 3.26Å; M145-D149 PolarHBondContact O-N 2.94Å; M145-I172 HydrophobicContact CE-CG1 4.3Å; M145-I172 HydrophobicContact CE-CG2 4.48Å; M145-N175 HydrophobicContact CE-CB 3.59Å |
| 146 | D | 85.1 | Confident | 83 | Confident | 114 Ų | 114 | 49.2 Ų | 49.2 | 61% | 0.61 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -74 | -31.5 | 177 | -70.6 | -46.7 | 0 | 0 | 0 | 112.5 | K144 D149 A150 K176 | K144-D146 PolarHBondContact O-N 3.16Å; D146-D149 PolarHBondContact O-N 3.15Å; D146-A150 WeakPolarHBondContact O-CB 3.48Å; D146-A150 PolarHBondContact O-N 3.48Å; D146-K176 VanDerWaalsContact OD1-CE 3.26Å; D146-K176 WeakPolarHBondContact OD1-CE 3.43Å; D146-K176 IonicContact OD1-NZ 3.15Å; D146-K176 PolarHBondContact OD1-NZ 2.88Å |
| 147 | Q | 84.3 | Confident | 83.3 | Confident | 104 Ų | 104 | 52.4 Ų | 52.4 | 49% | 0.486 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 171.2 | -166.6 | -178.9 | 15.9 | 0 | 0 | 110.3 | K144 D149 A150 Q151 | K144-Q147 HydrophobicContact CB-CB 4.36Å; K144-Q147 WeakPolarHBondContact O-CB 3.44Å; K144-Q147 PolarHBondContact O-N 2.6Å; K144-Q147 VanDerWaalsContact O-N 3.16Å; Q147-D149 VanDerWaalsContact C-N 3.33Å; Q147-D149 PolarHBondContact O-N 3.03Å; Q147-A150 PolarHBondContact O-N 2.87Å; Q147-Q151 WeakPolarHBondContact O-CG 3.5Å; Q147-Q151 PolarHBondContact O-N 2.97Å |
| 148 | A | 86.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | C138 K144 M145 A150 Q151 F152 I172 | C138-A148 HydrophobicContact CB-CB 3.78Å; K144-A148 PolarHBondContact O-N 3.06Å; M145-A148 PolarHBondContact O-N 2.7Å; A148-A150 VanDerWaalsContact C-N 3.32Å; A148-A150 PolarHBondContact O-N 3.36Å; A148-Q151 PolarHBondContact O-N 3.06Å; A148-F152 WeakPolarHBondContact O-CD2 3.27Å; A148-F152 PolarHBondContact O-N 3.35Å; A148-I172 HydrophobicContact CB-CD1 3.69Å |
| 149 | D | 87.3 | Confident | 83.4 | Confident | 32 Ų | 32 | 57.4 Ų | 57.4 | 17% | 0.171 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.9 | -36.1 | 179.7 | -153.1 | 9.6 | 0 | 0 | 0 | 112.2 | M145 D146 Q147 H153 K169 I172 K176 | M145-D149 WeakPolarHBondContact O-CB 3.26Å; M145-D149 PolarHBondContact O-N 2.94Å; D146-D149 PolarHBondContact O-N 3.15Å; Q147-D149 VanDerWaalsContact C-N 3.33Å; Q147-D149 PolarHBondContact O-N 3.03Å; D149-H153 WeakPolarHBondContact O-CB 3.42Å; D149-H153 PolarHBondContact O-N 3.35Å; D149-H153 VanDerWaalsContact O-N 3.08Å; D149-K169 PolarHBondContact O-NZ 3.17Å; D149-K169 IonicContact OD1-NZ 2.64Å; D149-K169 PolarHBondContact OD1-NZ 3.37Å; D149-I172 HydrophobicContact CB-CD1 4.05Å; D149-I172 HydrophobicContact CB-CG2 4.06Å; D149-K176 IonicContact OD2-NZ 3.64Å; D149-K176 PolarHBondContact OD2-NZ 3.12Å |
| 150 | A | 87.7 | Confident | 83.6 | Confident | 40 Ų | 40 | 60.2 Ų | 60.2 | 33% | 0.331 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.2 | -47.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | D146 Q147 A148 F152 H153 F154 | D146-A150 WeakPolarHBondContact O-CB 3.48Å; D146-A150 PolarHBondContact O-N 3.48Å; Q147-A150 PolarHBondContact O-N 2.87Å; A148-A150 VanDerWaalsContact C-N 3.32Å; A148-A150 PolarHBondContact O-N 3.36Å; A150-F152 PolarHBondContact O-N 2.93Å; A150-H153 CarbonylContact O-C 3.6Å; A150-H153 WeakPolarHBondContact O-CA 3.43Å; A150-H153 VanDerWaalsContact O-CB 3.27Å; A150-H153 WeakPolarHBondContact O-CB 3.44Å; A150-H153 PolarHBondContact O-N 3.07Å; A150-F154 HydrophobicContact CB-CE2 4.45Å; A150-F154 WeakPolarHBondContact O-CD2 3.43Å; A150-F154 PolarHBondContact O-N 3.29Å |
| 151 | Q | 87.1 | Confident | 83.8 | Confident | 39 Ų | 39 | 62.5 Ų | 62.5 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 178.4 | -60.3 | -50.1 | -2.5 | 0 | 0 | 112.3 | A135 Q147 A148 H153 F154 V155 | A135-Q151 HydrophobicContact CB-CB 3.72Å; Q147-Q151 WeakPolarHBondContact O-CG 3.5Å; Q147-Q151 PolarHBondContact O-N 2.97Å; A148-Q151 PolarHBondContact O-N 3.06Å; Q151-H153 PolarHBondContact O-N 2.86Å; Q151-F154 PolarHBondContact O-N 3.37Å; Q151-V155 PolarHBondContact O-N 3.39Å; Q151-V155 VanDerWaalsContact O-N 3.11Å |
| 152 | F | 89.4 | Confident | 84.4 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.3 | -26.3 | 170.9 | -69.9 | -59.6 | 0 | 0 | 0 | 112.9 | L132 A135 L139 A148 A150 L156 A165 K169 I172 | L132-F152 HydrophobicContact CD1-CD1 4.07Å; L132-F152 HydrophobicContact CD1-CE1 3.8Å; A135-F152 HydrophobicContact CB-CD1 3.6Å; A135-F152 HydrophobicContact CB-CD2 3.75Å; A135-F152 HydrophobicContact CB-CE1 3.51Å; A135-F152 HydrophobicContact CB-CE2 3.64Å; A135-F152 HydrophobicContact CB-CG 3.73Å; A135-F152 HydrophobicContact CB-CZ 3.52Å; L139-F152 HydrophobicContact CD2-CE2 4.5Å; A148-F152 WeakPolarHBondContact O-CD2 3.27Å; A148-F152 PolarHBondContact O-N 3.35Å; A150-F152 PolarHBondContact O-N 2.93Å; F152-L156 WeakPolarHBondContact O-CG 3.24Å; F152-L156 PolarHBondContact O-N 2.84Å; F152-A165 HydrophobicContact CD1-CB 4.19Å; F152-K169 HydrophobicContact CB-CD 4.2Å; F152-K169 HydrophobicContact CB-CG 3.58Å; F152-K169 HydrophobicContact CG-CG 4.4Å; F152-I172 HydrophobicContact CD2-CD1 3.61Å; F152-I172 HydrophobicContact CE2-CD1 3.82Å |
| 153 | H | 88.9 | Confident | 85.2 | Confident | 95 Ų | 95 | 60.8 Ų | 60.8 | 44% | 0.44 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -71 | -42.2 | 173.5 | -164.8 | -0.2 | 0 | 0 | 0 | 112 | D149 A150 Q151 L156 N157 | D149-H153 WeakPolarHBondContact O-CB 3.42Å; D149-H153 PolarHBondContact O-N 3.35Å; D149-H153 VanDerWaalsContact O-N 3.08Å; A150-H153 CarbonylContact O-C 3.6Å; A150-H153 WeakPolarHBondContact O-CA 3.43Å; A150-H153 VanDerWaalsContact O-CB 3.27Å; A150-H153 WeakPolarHBondContact O-CB 3.44Å; A150-H153 PolarHBondContact O-N 3.07Å; Q151-H153 PolarHBondContact O-N 2.86Å; H153-L156 PolarHBondContact O-N 2.86Å; H153-N157 PolarHBondContact CE1-OD1 3.44Å; H153-N157 PolarHBondContact ND1-OD1 3.45Å; H153-N157 PolarHBondContact O-N 3.15Å; H153-N157 PolarHBondContact O-ND2 3.17Å; H153-N157 PolarHBondContact O-OD1 3.03Å |
| 154 | F | 87.6 | Confident | 85.9 | Confident | 100 Ų | 100 | 56.8 Ų | 56.8 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 175.2 | -69.9 | -62.5 | 0 | 0 | 0 | 111.8 | L131 A150 Q151 L156 N157 Q158 | L131-F154 HydrophobicContact CD1-CB 4.34Å; A150-F154 HydrophobicContact CB-CE2 4.45Å; A150-F154 WeakPolarHBondContact O-CD2 3.43Å; A150-F154 PolarHBondContact O-N 3.29Å; Q151-F154 PolarHBondContact O-N 3.37Å; F154-L156 VanDerWaalsContact C-N 3.3Å; F154-L156 PolarHBondContact O-N 3.07Å; F154-N157 PolarHBondContact O-N 3.33Å; F154-N157 VanDerWaalsContact O-N 3.07Å; F154-Q158 PolarHBondContact O-N 3.06Å |
| 155 | V | 88.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.1 | -40.9 | 174.1 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | Q128 L131 Q151 Q158 S159 N162 A165 | Q128-V155 HydrophobicContact CG-CG1 4.09Å; L131-V155 HydrophobicContact CB-CG2 3.48Å; L131-V155 VanDerWaalsContact CB-CG2 3.48Å; L131-V155 HydrophobicContact CD1-CG2 4.39Å; Q151-V155 PolarHBondContact O-N 3.39Å; Q151-V155 VanDerWaalsContact O-N 3.11Å; V155-Q158 PolarHBondContact O-N 3.41Å; V155-S159 WeakPolarHBondContact O-CA 3.3Å; V155-S159 PolarHBondContact O-N 2.83Å; V155-S159 PolarHBondContact O-OG 3.08Å; V155-N162 HydrophobicContact CG1-CB 4.21Å; V155-A165 HydrophobicContact CB-CB 4.07Å; V155-A165 HydrophobicContact CG1-CB 3.66Å |
| 156 | L | 86.7 | Confident | 86.3 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -74.2 | -23.7 | 176.7 | -68.3 | 179.6 | 0 | 0 | 0 | 114.1 | F152 H153 F154 S159 P160 N162 A165 L166 K169 | F152-L156 WeakPolarHBondContact O-CG 3.24Å; F152-L156 PolarHBondContact O-N 2.84Å; H153-L156 PolarHBondContact O-N 2.86Å; F154-L156 VanDerWaalsContact C-N 3.3Å; F154-L156 PolarHBondContact O-N 3.07Å; L156-S159 CarbonylContact O-C 3.52Å; L156-P160 WeakPolarHBondContact O-CA 3.47Å; L156-P160 VanDerWaalsContact O-N 3.13Å; L156-N162 HydrophobicContact CD2-CB 4.45Å; L156-A165 HydrophobicContact CD2-CB 3.75Å; L156-A165 HydrophobicContact CG-CB 3.95Å; L156-L166 HydrophobicContact CD1-CD2 3.92Å; L156-L166 HydrophobicContact CD2-CD2 3.99Å; L156-L166 HydrophobicContact CD2-CG 3.92Å; L156-K169 HydrophobicContact CD1-CD 3.52Å; L156-K169 HydrophobicContact CD1-CG 4.4Å |
| 157 | N | 87.8 | Confident | 86.4 | Confident | 101 Ų | 101 | 48.1 Ų | 48.1 | 54% | 0.54 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -74.2 | -36.1 | 173.5 | -67 | -12.4 | 0 | 0 | 0 | 111.2 | H153 F154 | H153-N157 PolarHBondContact CE1-OD1 3.44Å; H153-N157 PolarHBondContact ND1-OD1 3.45Å; H153-N157 PolarHBondContact O-N 3.15Å; H153-N157 PolarHBondContact O-ND2 3.17Å; H153-N157 PolarHBondContact O-OD1 3.03Å; F154-N157 PolarHBondContact O-N 3.33Å; F154-N157 VanDerWaalsContact O-N 3.07Å |
| 158 | Q | 85.8 | Confident | 86.5 | Confident | 94 Ų | 94 | 43.5 Ų | 43.5 | 44% | 0.439 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -70.2 | -39.3 | 168 | -65.6 | 173.2 | -18.9 | 0 | 0 | 111.9 | Y126 F154 V155 | Y126-Q158 PolarHBondContact O-NE2 3.33Å; F154-Q158 PolarHBondContact O-N 3.06Å; V155-Q158 PolarHBondContact O-N 3.41Å |
| 159 | S | 84.6 | Confident | 86.6 | Confident | 19 Ų | 19 | 44.2 Ų | 44.2 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | trans | -146.9 | 81.3 | -166.1 | 63.2 | 0 | 0 | 0 | 0 | 112.5 | Q128 V155 L156 N161 N162 | Q128-S159 PolarHBondContact NE2-OG 2.9Å; V155-S159 WeakPolarHBondContact O-CA 3.3Å; V155-S159 PolarHBondContact O-N 2.83Å; V155-S159 PolarHBondContact O-OG 3.08Å; L156-S159 CarbonylContact O-C 3.52Å; S159-N161 PolarHBondContact O-N 3.08Å; S159-N162 WeakPolarHBondContact O-CB 3.19Å; S159-N162 PolarHBondContact O-N 3.42Å; S159-N162 WeakPolarHBondContact OG-CB 3.35Å | ||
| 160 | P | 83.3 | Confident | 86.8 | Confident | 92 Ų | 92 | 42.7 Ų | 42.7 | 60% | 0.597 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -12 | -170.4 | 24.3 | -35.2 | 0 | 0 | 0 | 115 | L156 | L156-P160 WeakPolarHBondContact O-CA 3.47Å; L156-P160 VanDerWaalsContact O-N 3.13Å |
| 161 | N | 82.7 | Confident | 86.7 | Confident | 111 Ų | 111 | 42.8 Ų | 42.8 | 59% | 0.594 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 3.7 | 179 | -71.3 | -29 | 0 | 0 | 0 | 114.1 | S159 I163 T192 | S159-N161 PolarHBondContact O-N 3.08Å; N161-I163 PolarHBondContact O-N 3.38Å; N161-I163 VanDerWaalsContact O-N 3.12Å; N161-T192 HydrophobicContact CB-CG2 3.87Å |
| 162 | N | 86.6 | Confident | 86.7 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 11% | 0.107 | 22% | 0.221 | C | C | . | . | trans | -64.6 | 112.9 | 179.6 | -178.4 | -49.6 | 0 | 0 | 0 | 110.9 | Q128 V155 L156 S159 P164 A165 L166 | Q128-N162 PolarHBondContact NE2-ND2 3.02Å; Q128-N162 VanDerWaalsContact NE2-ND2 3.19Å; V155-N162 HydrophobicContact CG1-CB 4.21Å; L156-N162 HydrophobicContact CD2-CB 4.45Å; S159-N162 WeakPolarHBondContact O-CB 3.19Å; S159-N162 PolarHBondContact O-N 3.42Å; S159-N162 WeakPolarHBondContact OG-CB 3.35Å; N162-P164 VanDerWaalsContact OD1-CD 3.29Å; N162-P164 WeakPolarHBondContact OD1-CD 3.21Å; N162-A165 HydrophobicContact CB-CB 4.08Å; N162-A165 PolarHBondContact O-N 2.9Å; N162-A165 WeakPolarHBondContact OD1-CB 3.46Å; N162-A165 PolarHBondContact OD1-N 3.46Å; N162-L166 WeakPolarHBondContact O-CG 3.27Å; N162-L166 PolarHBondContact O-N 3.05Å; N162-L166 VanDerWaalsContact O-N 3.09Å | ||
| 163 | I | 85.2 | Confident | 86.8 | Confident | 28 Ų | 28 | 41.5 Ų | 41.5 | 14% | 0.144 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.7 | -54.9 | -174.8 | -61.2 | -65.2 | 0 | 0 | 0 | 111.7 | N161 A165 L166 L167 A189 T192 N193 | N161-I163 PolarHBondContact O-N 3.38Å; N161-I163 VanDerWaalsContact O-N 3.12Å; I163-A165 VanDerWaalsContact C-N 3.28Å; I163-A165 PolarHBondContact O-N 3.22Å; I163-L166 PolarHBondContact O-N 3.15Å; I163-L166 VanDerWaalsContact O-N 3.15Å; I163-L167 HydrophobicContact CG2-CD1 3.9Å; I163-L167 HydrophobicContact CG2-CG 4.35Å; I163-L167 WeakPolarHBondContact O-CG 3.47Å; I163-L167 PolarHBondContact O-N 3.4Å; I163-A189 HydrophobicContact CD1-CB 4.3Å; I163-A189 WeakPolarHBondContact CD1-O 3.47Å; I163-A189 HydrophobicContact CG2-CB 4.42Å; I163-T192 HydrophobicContact CD1-CG2 3.8Å; I163-N193 HydrophobicContact CD1-CB 4.04Å; I163-N193 HydrophobicContact CG1-CB 4.19Å |
| 164 | P | 84.4 | Confident | 86.7 | Confident | 67 Ų | 67 | 39.3 Ų | 39.3 | 44% | 0.435 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -48.4 | -43.2 | 172.6 | -32.5 | 36.8 | 0 | 0 | 0 | 114.9 | L132 N162 L167 G168 | L132-P164 HydrophobicContact CD1-CB 3.66Å; L132-P164 HydrophobicContact CD2-CB 3.64Å; L132-P164 HydrophobicContact CD2-CG 4.22Å; L132-P164 HydrophobicContact CG-CB 4.21Å; N162-P164 VanDerWaalsContact OD1-CD 3.29Å; N162-P164 WeakPolarHBondContact OD1-CD 3.21Å; P164-L167 PolarHBondContact O-N 2.87Å; P164-G168 PolarHBondContact O-N 3.32Å |
| 165 | A | 85.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.9 | -37.8 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | L132 F152 V155 L156 N162 I163 L167 G168 K169 | L132-A165 HydrophobicContact CD1-CB 4.02Å; F152-A165 HydrophobicContact CD1-CB 4.19Å; V155-A165 HydrophobicContact CB-CB 4.07Å; V155-A165 HydrophobicContact CG1-CB 3.66Å; L156-A165 HydrophobicContact CD2-CB 3.75Å; L156-A165 HydrophobicContact CG-CB 3.95Å; N162-A165 HydrophobicContact CB-CB 4.08Å; N162-A165 PolarHBondContact O-N 2.9Å; N162-A165 WeakPolarHBondContact OD1-CB 3.46Å; N162-A165 PolarHBondContact OD1-N 3.46Å; I163-A165 VanDerWaalsContact C-N 3.28Å; I163-A165 PolarHBondContact O-N 3.22Å; A165-L167 VanDerWaalsContact C-N 3.31Å; A165-L167 PolarHBondContact O-N 2.73Å; A165-G168 PolarHBondContact O-N 3.06Å; A165-K169 PolarHBondContact O-N 3.44Å; A165-K169 VanDerWaalsContact O-N 3.1Å |
| 166 | L | 88.1 | Confident | 86.6 | Confident | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.6 | -39 | 170.7 | -71.4 | 170.6 | 0 | 0 | 0 | 111.7 | L156 N162 I163 A170 Y185 K188 A189 | L156-L166 HydrophobicContact CD1-CD2 3.92Å; L156-L166 HydrophobicContact CD2-CD2 3.99Å; L156-L166 HydrophobicContact CD2-CG 3.92Å; N162-L166 WeakPolarHBondContact O-CG 3.27Å; N162-L166 PolarHBondContact O-N 3.05Å; N162-L166 VanDerWaalsContact O-N 3.09Å; I163-L166 PolarHBondContact O-N 3.15Å; I163-L166 VanDerWaalsContact O-N 3.15Å; L166-A170 WeakPolarHBondContact O-CB 3.45Å; L166-A170 PolarHBondContact O-N 3.25Å; L166-Y185 HydrophobicContact CD2-CD1 4.1Å; L166-K188 HydrophobicContact CD1-CB 4.17Å; L166-K188 HydrophobicContact CD2-CB 4.3Å; L166-K188 HydrophobicContact CD2-CD 4.27Å; L166-A189 HydrophobicContact CB-CB 4.36Å |
| 167 | L | 87.4 | Confident | 86.6 | Confident | 40 Ų | 40 | 49.5 Ų | 49.5 | 21% | 0.209 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.3 | -37.1 | 177.4 | -62 | 173 | 0 | 0 | 0 | 112.2 | I163 P164 A165 A170 C171 Y186 A189 V200 | I163-L167 HydrophobicContact CG2-CD1 3.9Å; I163-L167 HydrophobicContact CG2-CG 4.35Å; I163-L167 WeakPolarHBondContact O-CG 3.47Å; I163-L167 PolarHBondContact O-N 3.4Å; P164-L167 PolarHBondContact O-N 2.87Å; A165-L167 VanDerWaalsContact C-N 3.31Å; A165-L167 PolarHBondContact O-N 2.73Å; L167-A170 WeakPolarHBondContact O-CB 3.25Å; L167-A170 PolarHBondContact O-N 2.95Å; L167-C171 PolarHBondContact O-N 3.07Å; L167-Y186 HydrophobicContact CD2-CD1 3.72Å; L167-Y186 HydrophobicContact CD2-CE1 3.91Å; L167-A189 HydrophobicContact CD2-CB 3.89Å; L167-A189 HydrophobicContact CG-CB 4.4Å; L167-V200 HydrophobicContact CD1-CG2 3.58Å; L167-V200 HydrophobicContact CD2-CB 4.19Å; L167-V200 HydrophobicContact CD2-CG1 3.66Å; L167-V200 HydrophobicContact CD2-CG2 3.59Å; L167-V200 HydrophobicContact CG-CG2 4.24Å |
| 168 | G | 86.7 | Confident | 86.8 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 6% | 0.062 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.3 | -53.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P164 A165 A170 C171 I172 | P164-G168 PolarHBondContact O-N 3.32Å; A165-G168 PolarHBondContact O-N 3.06Å; G168-A170 VanDerWaalsContact C-N 3.27Å; G168-A170 PolarHBondContact O-N 3.02Å; G168-C171 PolarHBondContact O-N 3.38Å; G168-I172 WeakPolarHBondContact O-CG1 3.42Å; G168-I172 PolarHBondContact O-N 2.74Å |
| 169 | K | 88 | Confident | 87.1 | Confident | 16 Ų | 16 | 46.4 Ų | 46.4 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.4 | -31.6 | 174.5 | -62.5 | -171.3 | 79 | 65.2 | 0 | 112.7 | D149 F152 L156 A165 S173 Y185 | D149-K169 PolarHBondContact O-NZ 3.17Å; D149-K169 IonicContact OD1-NZ 2.64Å; D149-K169 PolarHBondContact OD1-NZ 3.37Å; F152-K169 HydrophobicContact CB-CD 4.2Å; F152-K169 HydrophobicContact CB-CG 3.58Å; F152-K169 HydrophobicContact CG-CG 4.4Å; L156-K169 HydrophobicContact CD1-CD 3.52Å; L156-K169 HydrophobicContact CD1-CG 4.4Å; A165-K169 PolarHBondContact O-N 3.44Å; A165-K169 VanDerWaalsContact O-N 3.1Å; K169-S173 VanDerWaalsContact O-CB 3.26Å; K169-S173 WeakPolarHBondContact O-CB 3.47Å; K169-S173 PolarHBondContact O-N 3.27Å; K169-S173 PolarHBondContact O-OG 2.87Å; K169-Y185 HydrophobicContact CB-CD1 4.5Å; K169-Y185 HydrophobicContact CB-CD2 4.32Å; K169-Y185 HydrophobicContact CB-CE1 4.47Å; K169-Y185 HydrophobicContact CB-CE2 4.29Å; K169-Y185 HydrophobicContact CB-CG 4.44Å |
| 170 | A | 90.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -42.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L166 L167 G168 F174 A182 Y186 | L166-A170 WeakPolarHBondContact O-CB 3.45Å; L166-A170 PolarHBondContact O-N 3.25Å; L167-A170 WeakPolarHBondContact O-CB 3.25Å; L167-A170 PolarHBondContact O-N 2.95Å; G168-A170 VanDerWaalsContact C-N 3.27Å; G168-A170 PolarHBondContact O-N 3.02Å; A170-F174 WeakPolarHBondContact O-CB 3.49Å; A170-F174 PolarHBondContact O-N 3.16Å; A170-A182 VanDerWaalsContact O-CB 3.31Å; A170-A182 WeakPolarHBondContact O-CB 3.3Å; A170-Y186 HydrophobicContact CB-CD1 3.81Å; A170-Y186 HydrophobicContact CB-CD2 3.89Å; A170-Y186 HydrophobicContact CB-CE1 3.62Å; A170-Y186 HydrophobicContact CB-CE2 3.69Å; A170-Y186 HydrophobicContact CB-CG 3.94Å |
| 171 | C | 86.1 | Confident | 87.8 | Confident | 41 Ų | 41 | 51.5 Ų | 51.5 | 28% | 0.277 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.2 | -47.3 | 176 | -170.1 | 0 | 0 | 0 | 0 | 111.8 | L139 L167 G168 S173 F174 N175 | L139-C171 HydrophobicContact CD2-CB 4.32Å; L167-C171 PolarHBondContact O-N 3.07Å; G168-C171 PolarHBondContact O-N 3.38Å; C171-S173 PolarHBondContact O-N 2.88Å; C171-F174 WeakPolarHBondContact O-CB 3.44Å; C171-F174 PolarHBondContact O-N 3.05Å; C171-F174 VanDerWaalsContact O-N 3.16Å; C171-N175 PolarHBondContact O-N 2.93Å |
| 172 | I | 88.2 | Confident | 88.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 176 | -66.6 | 171.6 | 0 | 0 | 0 | 111 | L139 M145 A148 D149 F152 G168 F174 N175 K176 | L139-I172 HydrophobicContact CD1-CG1 3.87Å; M145-I172 HydrophobicContact CE-CG1 4.3Å; M145-I172 HydrophobicContact CE-CG2 4.48Å; A148-I172 HydrophobicContact CB-CD1 3.69Å; D149-I172 HydrophobicContact CB-CD1 4.05Å; D149-I172 HydrophobicContact CB-CG2 4.06Å; F152-I172 HydrophobicContact CD2-CD1 3.61Å; F152-I172 HydrophobicContact CE2-CD1 3.82Å; G168-I172 WeakPolarHBondContact O-CG1 3.42Å; G168-I172 PolarHBondContact O-N 2.74Å; I172-F174 VanDerWaalsContact C-N 3.29Å; I172-F174 PolarHBondContact O-N 3.09Å; I172-N175 PolarHBondContact O-N 3.03Å; I172-K176 HydrophobicContact CG2-CD 3.87Å; I172-K176 HydrophobicContact CG2-CG 4.25Å; I172-K176 WeakPolarHBondContact O-CB 3.41Å; I172-K176 WeakPolarHBondContact O-CG 3.23Å; I172-K176 PolarHBondContact O-N 3.01Å |
| 173 | S | 89.7 | Confident | 88.6 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.1 | -39.1 | 176.5 | -58 | 0 | 0 | 0 | 0 | 111.8 | K169 C171 K176 K177 D178 | K169-S173 VanDerWaalsContact O-CB 3.26Å; K169-S173 WeakPolarHBondContact O-CB 3.47Å; K169-S173 PolarHBondContact O-N 3.27Å; K169-S173 PolarHBondContact O-OG 2.87Å; C171-S173 PolarHBondContact O-N 2.88Å; S173-K176 CarbonylContact O-C 3.48Å; S173-K176 PolarHBondContact O-N 2.91Å; S173-K177 PolarHBondContact O-N 3.2Å; S173-D178 CarbonylContact O-C 3.58Å; S173-D178 WeakPolarHBondContact O-CA 3.44Å; S173-D178 PolarHBondContact O-N 3.32Å |
| 174 | F | 88.6 | Confident | 88.9 | Confident | 50 Ų | 50 | 47 Ų | 47 | 22% | 0.219 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.2 | -43.5 | 176.6 | -176.8 | -91.2 | 0 | 0 | 0 | 111.9 | A170 C171 I172 K177 Y179 A182 H206 K210 | A170-F174 WeakPolarHBondContact O-CB 3.49Å; A170-F174 PolarHBondContact O-N 3.16Å; C171-F174 WeakPolarHBondContact O-CB 3.44Å; C171-F174 PolarHBondContact O-N 3.05Å; C171-F174 VanDerWaalsContact O-N 3.16Å; I172-F174 VanDerWaalsContact C-N 3.29Å; I172-F174 PolarHBondContact O-N 3.09Å; F174-K177 WeakPolarHBondContact O-CA 3.44Å; F174-K177 PolarHBondContact O-N 2.81Å; F174-Y179 AromaticContact CD2-CD1 3.58Å; F174-Y179 HydrophobicContact CD2-CD1 3.58Å; F174-Y179 AromaticContact CD2-CE1 3.86Å; F174-Y179 HydrophobicContact CD2-CE1 3.86Å; F174-Y179 AromaticContact CE2-CD1 3.83Å; F174-Y179 HydrophobicContact CE2-CD1 3.83Å; F174-Y179 AromaticContact CE2-CE1 3.88Å; F174-Y179 HydrophobicContact CE2-CE1 3.88Å; F174-Y179 HydrophobicContact CG-CD1 4.27Å; F174-Y179 HydrophobicContact CG-CE1 4.28Å; F174-Y179 HydrophobicContact CZ-CE1 4.32Å; F174-Y179 WeakPolarHBondContact O-CE1 3.46Å; F174-A182 HydrophobicContact CB-CB 4.1Å; F174-H206 HydrophobicContact CE2-CB 4.08Å; F174-H206 HydrophobicContact CZ-CB 4.16Å; F174-K210 HydrophobicContact CE2-CG 4.22Å; F174-K210 HydrophobicContact CZ-CG 4.36Å |
| 175 | N | 84.8 | Confident | 89.2 | Confident | 86 Ų | 86 | 46.6 Ų | 46.6 | 46% | 0.46 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.4 | -37 | 177.8 | -68.6 | -1.6 | 0 | 0 | 0 | 111.9 | M145 C171 I172 K177 | M145-N175 HydrophobicContact CE-CB 3.59Å; C171-N175 PolarHBondContact O-N 2.93Å; I172-N175 PolarHBondContact O-N 3.03Å; N175-K177 PolarHBondContact O-N 3.16Å; N175-K177 VanDerWaalsContact O-N 3.1Å |
| 176 | K | 87.3 | Confident | 89.5 | Confident | 91 Ų | 91 | 47.7 Ų | 47.7 | 40% | 0.396 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 2.8 | 167.6 | -69.7 | -179.2 | 177.1 | -176.3 | 0 | 113.8 | D146 D149 I172 S173 D178 | D146-K176 VanDerWaalsContact OD1-CE 3.26Å; D146-K176 WeakPolarHBondContact OD1-CE 3.43Å; D146-K176 IonicContact OD1-NZ 3.15Å; D146-K176 PolarHBondContact OD1-NZ 2.88Å; D149-K176 IonicContact OD2-NZ 3.64Å; D149-K176 PolarHBondContact OD2-NZ 3.12Å; I172-K176 HydrophobicContact CG2-CD 3.87Å; I172-K176 HydrophobicContact CG2-CG 4.25Å; I172-K176 WeakPolarHBondContact O-CB 3.41Å; I172-K176 WeakPolarHBondContact O-CG 3.23Å; I172-K176 PolarHBondContact O-N 3.01Å; S173-K176 CarbonylContact O-C 3.48Å; S173-K176 PolarHBondContact O-N 2.91Å; K176-D178 PolarHBondContact O-N 2.87Å |
| 177 | K | 88 | Confident | 89.6 | Confident | 157 Ų | 157 | 51.7 Ų | 51.7 | 68% | 0.683 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 7.6 | -178.8 | -52.3 | 174.7 | -175 | 169.7 | 0 | 115.3 | S173 F174 N175 Y179 | S173-K177 PolarHBondContact O-N 3.2Å; F174-K177 WeakPolarHBondContact O-CA 3.44Å; F174-K177 PolarHBondContact O-N 2.81Å; N175-K177 PolarHBondContact O-N 3.16Å; N175-K177 VanDerWaalsContact O-N 3.1Å; K177-Y179 VanDerWaalsContact C-N 3.26Å; K177-Y179 HydrophobicContact CB-CE2 4.37Å; K177-Y179 WeakPolarHBondContact O-CD2 3.26Å; K177-Y179 PolarHBondContact O-N 2.78Å |
| 178 | D | 91.5 | Very high | 89.6 | Confident | 78 Ų | 78 | 54.7 Ų | 54.7 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | trans | -79.7 | 77.1 | 165.9 | -178 | 16.4 | 0 | 0 | 0 | 111 | S173 K176 R180 G181 A182 | S173-D178 CarbonylContact O-C 3.58Å; S173-D178 WeakPolarHBondContact O-CA 3.44Å; S173-D178 PolarHBondContact O-N 3.32Å; K176-D178 PolarHBondContact O-N 2.87Å; D178-R180 PolarHBondContact O-N 3.42Å; D178-R180 WeakPolarHBondContact OD1-CA 3.45Å; D178-R180 WeakPolarHBondContact OD1-CB 3.42Å; D178-R180 PolarHBondContact OD1-N 2.91Å; D178-G181 PolarHBondContact O-N 3.01Å; D178-G181 PolarHBondContact OD1-N 3.42Å; D178-G181 WeakPolarHBondContact OD2-CA 3.4Å; D178-G181 PolarHBondContact OD2-N 3.05Å; D178-G181 VanDerWaalsContact OD2-N 3.09Å; D178-A182 WeakPolarHBondContact O-CB 3.42Å; D178-A182 PolarHBondContact O-N 2.78Å | ||
| 179 | Y | 93.1 | Very high | 89.6 | Confident | 52 Ų | 52 | 54.4 Ų | 54.4 | 20% | 0.204 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.7 | -16.8 | 173.7 | -48.3 | -54 | 0 | 0 | 0 | 113 | F174 K177 L183 K210 | F174-Y179 AromaticContact CD2-CD1 3.58Å; F174-Y179 HydrophobicContact CD2-CD1 3.58Å; F174-Y179 AromaticContact CD2-CE1 3.86Å; F174-Y179 HydrophobicContact CD2-CE1 3.86Å; F174-Y179 AromaticContact CE2-CD1 3.83Å; F174-Y179 HydrophobicContact CE2-CD1 3.83Å; F174-Y179 AromaticContact CE2-CE1 3.88Å; F174-Y179 HydrophobicContact CE2-CE1 3.88Å; F174-Y179 HydrophobicContact CG-CD1 4.27Å; F174-Y179 HydrophobicContact CG-CE1 4.28Å; F174-Y179 HydrophobicContact CZ-CE1 4.32Å; F174-Y179 WeakPolarHBondContact O-CE1 3.46Å; K177-Y179 VanDerWaalsContact C-N 3.26Å; K177-Y179 HydrophobicContact CB-CE2 4.37Å; K177-Y179 WeakPolarHBondContact O-CD2 3.26Å; K177-Y179 PolarHBondContact O-N 2.78Å; Y179-L183 WeakPolarHBondContact O-CB 3.48Å; Y179-L183 PolarHBondContact O-N 3.17Å; Y179-K210 HydrophobicContact CD1-CB 4Å; Y179-K210 HydrophobicContact CD1-CG 4.34Å; Y179-K210 HydrophobicContact CD2-CB 3.72Å; Y179-K210 HydrophobicContact CE1-CB 4.09Å; Y179-K210 HydrophobicContact CE1-CG 4.04Å; Y179-K210 HydrophobicContact CE2-CB 3.8Å; Y179-K210 HydrophobicContact CE2-CG 4.35Å; Y179-K210 HydrophobicContact CG-CB 3.83Å |
| 180 | R | 92.3 | Very high | 89.5 | Confident | 204 Ų | 204 | 55.1 Ų | 55.1 | 77% | 0.77 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -83.7 | -44.9 | -180 | -173.4 | 176.3 | -179.9 | 163.9 | -1.9 | 111.1 | D178 A184 | D178-R180 PolarHBondContact O-N 3.42Å; D178-R180 WeakPolarHBondContact OD1-CA 3.45Å; D178-R180 WeakPolarHBondContact OD1-CB 3.42Å; D178-R180 PolarHBondContact OD1-N 2.91Å; R180-A184 PolarHBondContact O-N 2.95Å; R180-A184 VanDerWaalsContact O-N 3.13Å |
| 181 | G | 90.3 | Very high | 89.4 | Confident | 14 Ų | 14 | 64.9 Ų | 64.9 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D178 L183 A184 Y185 | D178-G181 PolarHBondContact O-N 3.01Å; D178-G181 PolarHBondContact OD1-N 3.42Å; D178-G181 WeakPolarHBondContact OD2-CA 3.4Å; D178-G181 PolarHBondContact OD2-N 3.05Å; D178-G181 VanDerWaalsContact OD2-N 3.09Å; G181-L183 VanDerWaalsContact C-N 3.33Å; G181-L183 PolarHBondContact O-N 3.42Å; G181-A184 WeakPolarHBondContact O-CA 2.97Å; G181-A184 WeakPolarHBondContact O-CB 3.25Å; G181-A184 PolarHBondContact O-N 3Å; G181-Y185 WeakPolarHBondContact O-CD2 3.45Å; G181-Y185 PolarHBondContact O-N 2.86Å |
| 182 | A | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -51.8 | -50.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A170 F174 D178 A184 Y185 Y186 | A170-A182 VanDerWaalsContact O-CB 3.31Å; A170-A182 WeakPolarHBondContact O-CB 3.3Å; F174-A182 HydrophobicContact CB-CB 4.1Å; D178-A182 WeakPolarHBondContact O-CB 3.42Å; D178-A182 PolarHBondContact O-N 2.78Å; A182-A184 VanDerWaalsContact C-N 3.29Å; A182-A184 PolarHBondContact O-N 2.8Å; A182-Y185 PolarHBondContact O-N 2.62Å; A182-Y185 VanDerWaalsContact O-N 3.15Å; A182-Y186 HydrophobicContact CB-CE2 4.36Å; A182-Y186 WeakPolarHBondContact O-CD2 3.4Å; A182-Y186 PolarHBondContact O-N 2.89Å |
| 183 | L | 92.3 | Very high | 89.1 | Confident | 21 Ų | 21 | 69.3 Ų | 69.3 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.9 | -31.8 | 178.3 | -173.3 | 154.9 | 0 | 0 | 0 | 112.7 | Y179 G181 K187 C207 F208 L211 | Y179-L183 WeakPolarHBondContact O-CB 3.48Å; Y179-L183 PolarHBondContact O-N 3.17Å; G181-L183 VanDerWaalsContact C-N 3.33Å; G181-L183 PolarHBondContact O-N 3.42Å; L183-K187 HydrophobicContact CD2-CD 3.82Å; L183-K187 HydrophobicContact CD2-CG 4.43Å; L183-K187 WeakPolarHBondContact O-CB 3.32Å; L183-K187 WeakPolarHBondContact O-CG 3.44Å; L183-K187 PolarHBondContact O-N 3.15Å; L183-K187 VanDerWaalsContact O-N 3.1Å; L183-C207 HydrophobicContact CB-CB 4.06Å; L183-C207 HydrophobicContact CD1-CB 4.12Å; L183-C207 HydrophobicContact CG-CB 4.46Å; L183-F208 HydrophobicContact CD1-CD1 3.79Å; L183-F208 HydrophobicContact CD1-CE1 3.69Å; L183-F208 HydrophobicContact CD1-CG 4.42Å; L183-F208 HydrophobicContact CD1-CZ 4.25Å; L183-L211 HydrophobicContact CD1-CD1 3.7Å |
| 184 | A | 92 | Very high | 88.5 | Confident | 44 Ų | 44 | 73.1 Ų | 73.1 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.9 | -40.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | R180 G181 A182 K187 K188 | R180-A184 PolarHBondContact O-N 2.95Å; R180-A184 VanDerWaalsContact O-N 3.13Å; G181-A184 WeakPolarHBondContact O-CA 2.97Å; G181-A184 WeakPolarHBondContact O-CB 3.25Å; G181-A184 PolarHBondContact O-N 3Å; A182-A184 VanDerWaalsContact C-N 3.29Å; A182-A184 PolarHBondContact O-N 2.8Å; A184-K187 PolarHBondContact O-N 3.39Å; A184-K188 WeakPolarHBondContact O-CG 3.39Å; A184-K188 PolarHBondContact O-N 3.35Å |
| 185 | Y | 90.8 | Very high | 88 | Confident | 59 Ų | 59 | 73.8 Ų | 73.8 | 23% | 0.231 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.4 | -45.3 | 175.6 | -68 | -65.5 | 0 | 0 | 0 | 112.6 | L166 K169 G181 A182 K187 K188 A189 | L166-Y185 HydrophobicContact CD2-CD1 4.1Å; K169-Y185 HydrophobicContact CB-CD1 4.5Å; K169-Y185 HydrophobicContact CB-CD2 4.32Å; K169-Y185 HydrophobicContact CB-CE1 4.47Å; K169-Y185 HydrophobicContact CB-CE2 4.29Å; K169-Y185 HydrophobicContact CB-CG 4.44Å; G181-Y185 WeakPolarHBondContact O-CD2 3.45Å; G181-Y185 PolarHBondContact O-N 2.86Å; A182-Y185 PolarHBondContact O-N 2.62Å; A182-Y185 VanDerWaalsContact O-N 3.15Å; Y185-K187 VanDerWaalsContact C-N 3.25Å; Y185-K187 PolarHBondContact O-N 3.08Å; Y185-K188 HydrophobicContact CD1-CD 4.29Å; Y185-K188 WeakPolarHBondContact O-CB 3.49Å; Y185-K188 PolarHBondContact O-N 3.23Å; Y185-A189 PolarHBondContact O-N 3.03Å |
| 186 | Y | 91 | Very high | 87.6 | Confident | 23 Ų | 23 | 70 Ų | 70 | 9% | 0.09 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.4 | -38 | 173.2 | -71.9 | -57.4 | 0 | 0 | 0 | 112.3 | L167 A170 A182 A189 L190 V200 M204 | L167-Y186 HydrophobicContact CD2-CD1 3.72Å; L167-Y186 HydrophobicContact CD2-CE1 3.91Å; A170-Y186 HydrophobicContact CB-CD1 3.81Å; A170-Y186 HydrophobicContact CB-CD2 3.89Å; A170-Y186 HydrophobicContact CB-CE1 3.62Å; A170-Y186 HydrophobicContact CB-CE2 3.69Å; A170-Y186 HydrophobicContact CB-CG 3.94Å; A182-Y186 HydrophobicContact CB-CE2 4.36Å; A182-Y186 WeakPolarHBondContact O-CD2 3.4Å; A182-Y186 PolarHBondContact O-N 2.89Å; Y186-A189 PolarHBondContact O-N 3.5Å; Y186-L190 WeakPolarHBondContact O-CG 3.27Å; Y186-L190 PolarHBondContact O-N 2.85Å; Y186-L190 VanDerWaalsContact O-N 3.09Å; Y186-V200 HydrophobicContact CD1-CG1 4.21Å; Y186-M204 HydrophobicContact CG-CB 4.49Å |
| 187 | K | 89.8 | Confident | 87.2 | Confident | 90 Ų | 90 | 69.6 Ų | 69.6 | 39% | 0.391 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.4 | -31.5 | 173.4 | -79.4 | -178.1 | 178.2 | 176.7 | 0 | 114.2 | L183 A184 Y185 R191 M204 | L183-K187 HydrophobicContact CD2-CD 3.82Å; L183-K187 HydrophobicContact CD2-CG 4.43Å; L183-K187 WeakPolarHBondContact O-CB 3.32Å; L183-K187 WeakPolarHBondContact O-CG 3.44Å; L183-K187 PolarHBondContact O-N 3.15Å; L183-K187 VanDerWaalsContact O-N 3.1Å; A184-K187 PolarHBondContact O-N 3.39Å; Y185-K187 VanDerWaalsContact C-N 3.25Å; Y185-K187 PolarHBondContact O-N 3.08Å; K187-R191 WeakPolarHBondContact O-CD 3.34Å; K187-R191 VanDerWaalsContact O-CG 3.25Å; K187-R191 WeakPolarHBondContact O-CG 3.4Å; K187-R191 PolarHBondContact O-N 3.07Å; K187-M204 HydrophobicContact CG-SD 4.38Å |
| 188 | K | 88.5 | Confident | 86.8 | Confident | 104 Ų | 104 | 62.5 Ų | 62.5 | 45% | 0.452 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.4 | -50.5 | 172 | -73.5 | 172.5 | 178.9 | -178.2 | 0 | 109.8 | L166 A184 Y185 L190 R191 T192 | L166-K188 HydrophobicContact CD1-CB 4.17Å; L166-K188 HydrophobicContact CD2-CB 4.3Å; L166-K188 HydrophobicContact CD2-CD 4.27Å; A184-K188 WeakPolarHBondContact O-CG 3.39Å; A184-K188 PolarHBondContact O-N 3.35Å; Y185-K188 HydrophobicContact CD1-CD 4.29Å; Y185-K188 WeakPolarHBondContact O-CB 3.49Å; Y185-K188 PolarHBondContact O-N 3.23Å; K188-L190 PolarHBondContact O-N 3.04Å; K188-R191 WeakPolarHBondContact O-CB 3.44Å; K188-R191 PolarHBondContact O-N 3.27Å; K188-T192 PolarHBondContact O-N 3.04Å; K188-T192 PolarHBondContact O-OG1 3.47Å |
| 189 | A | 86.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -54.5 | -48.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I163 L166 L167 Y185 Y186 R191 T192 N193 V200 | I163-A189 HydrophobicContact CD1-CB 4.3Å; I163-A189 WeakPolarHBondContact CD1-O 3.47Å; I163-A189 HydrophobicContact CG2-CB 4.42Å; L166-A189 HydrophobicContact CB-CB 4.36Å; L167-A189 HydrophobicContact CD2-CB 3.89Å; L167-A189 HydrophobicContact CG-CB 4.4Å; Y185-A189 PolarHBondContact O-N 3.03Å; Y186-A189 PolarHBondContact O-N 3.5Å; A189-R191 VanDerWaalsContact C-N 3.28Å; A189-R191 PolarHBondContact O-N 3.39Å; A189-T192 PolarHBondContact O-N 3.31Å; A189-N193 PolarHBondContact O-N 2.94Å; A189-V200 HydrophobicContact CB-CG1 4.48Å |
| 190 | L | 86.2 | Confident | 85.8 | Confident | 31 Ų | 31 | 63.4 Ų | 63.4 | 16% | 0.162 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.9 | -18.9 | 178.6 | -70.5 | 172.9 | 0 | 0 | 0 | 115 | Y186 K188 C196 V200 R201 M204 | Y186-L190 WeakPolarHBondContact O-CG 3.27Å; Y186-L190 PolarHBondContact O-N 2.85Å; Y186-L190 VanDerWaalsContact O-N 3.09Å; K188-L190 PolarHBondContact O-N 3.04Å; L190-C196 HydrophobicContact CD2-CB 4.07Å; L190-V200 HydrophobicContact CD1-CG1 4.35Å; L190-V200 HydrophobicContact CD2-CB 4.42Å; L190-V200 HydrophobicContact CD2-CG1 3.82Å; L190-V200 HydrophobicContact CG-CG1 3.81Å; L190-R201 HydrophobicContact CD1-CG 4.19Å; L190-R201 HydrophobicContact CD2-CG 4.14Å; L190-M204 HydrophobicContact CD1-CE 3.9Å; L190-M204 HydrophobicContact CD1-SD 3.97Å |
| 191 | R | 87.6 | Confident | 85.6 | Confident | 204 Ų | 204 | 55.3 Ų | 55.3 | 77% | 0.77 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -80.9 | -42.3 | 171.2 | -75.9 | 168.3 | 174.3 | -173.5 | -4.2 | 111.5 | K187 K188 A189 | K187-R191 WeakPolarHBondContact O-CD 3.34Å; K187-R191 VanDerWaalsContact O-CG 3.25Å; K187-R191 WeakPolarHBondContact O-CG 3.4Å; K187-R191 PolarHBondContact O-N 3.07Å; K188-R191 WeakPolarHBondContact O-CB 3.44Å; K188-R191 PolarHBondContact O-N 3.27Å; A189-R191 VanDerWaalsContact C-N 3.28Å; A189-R191 PolarHBondContact O-N 3.39Å |
| 192 | T | 85.4 | Confident | 85.6 | Confident | 63 Ų | 63 | 55.9 Ų | 55.9 | 39% | 0.387 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -73.5 | -32.3 | -178 | -58 | 0 | 0 | 0 | 0 | 112 | N161 I163 K188 A189 | N161-T192 HydrophobicContact CB-CG2 3.87Å; I163-T192 HydrophobicContact CD1-CG2 3.8Å; K188-T192 PolarHBondContact O-N 3.04Å; K188-T192 PolarHBondContact O-OG1 3.47Å; A189-T192 PolarHBondContact O-N 3.31Å |
| 193 | N | 81.9 | Confident | 85.3 | Confident | 71 Ų | 71 | 56.4 Ų | 56.4 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | trans | -137.7 | 104.1 | 168.2 | -174.3 | -6.5 | 0 | 0 | 0 | 111.7 | I163 A189 G195 C196 | I163-N193 HydrophobicContact CD1-CB 4.04Å; I163-N193 HydrophobicContact CG1-CB 4.19Å; A189-N193 PolarHBondContact O-N 2.94Å; N193-G195 VanDerWaalsContact C-N 3.26Å; N193-G195 PolarHBondContact O-N 3.22Å; N193-G195 WeakPolarHBondContact OD1-CA 3.41Å; N193-G195 PolarHBondContact OD1-N 2.85Å; N193-C196 WeakPolarHBondContact O-CB 3.25Å; N193-C196 PolarHBondContact O-N 3.44Å | ||
| 194 | P | 77.9 | Confident | 85.2 | Confident | 93 Ų | 93 | 56.6 Ų | 56.6 | 60% | 0.604 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -29 | 174.1 | -25 | 35.7 | 0 | 0 | 0 | 114.1 | C196 R201 | P194-C196 PolarHBondContact O-N 2.95Å; P194-R201 PolarHBondContact O-NH2 3.03Å |
| 195 | G | 77.8 | Confident | 85.1 | Confident | 65 Ų | 65 | 54.5 Ų | 54.5 | 67% | 0.67 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 10.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N193 | N193-G195 VanDerWaalsContact C-N 3.26Å; N193-G195 PolarHBondContact O-N 3.22Å; N193-G195 WeakPolarHBondContact OD1-CA 3.41Å; N193-G195 PolarHBondContact OD1-N 2.85Å |
| 196 | C | 75.4 | Confident | 85.1 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | trans | -56.9 | 146.2 | -179.5 | -143.5 | 0 | 0 | 0 | 0 | 112.5 | L190 N193 P194 V200 R201 | L190-C196 HydrophobicContact CD2-CB 4.07Å; N193-C196 WeakPolarHBondContact O-CB 3.25Å; N193-C196 PolarHBondContact O-N 3.44Å; P194-C196 PolarHBondContact O-N 2.95Å; C196-V200 HydrophobicContact CB-CG2 4.44Å; C196-V200 VanDerWaalsContact SG-CG2 3.55Å; C196-R201 PolarHBondContact O-NH1 2.95Å | ||
| 197 | P | 79.4 | Confident | 85.2 | Confident | 83 Ų | 83 | 54.1 Ų | 54.1 | 54% | 0.539 | 29% | 0.286 | S | S | . | . | trans | -53.5 | 157.7 | 179.9 | -30.3 | 36.8 | 0 | 0 | 0 | 115.5 | E199 V200 | P197-E199 PolarHBondContact O-N 3.25Å; P197-E199 VanDerWaalsContact O-N 3.17Å; P197-V200 PolarHBondContact O-N 3.19Å; P197-V200 VanDerWaalsContact O-N 3.13Å | ||
| 198 | A | 80.3 | Confident | 85.3 | Confident | 8 Ų | 8 | 50.8 Ų | 50.8 | 7% | 0.066 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.8 | -33.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V200 R201 L202 A224 L227 N228 | A198-V200 PolarHBondContact O-N 3.3Å; A198-R201 WeakPolarHBondContact O-CA 3.45Å; A198-R201 WeakPolarHBondContact O-CB 3.41Å; A198-R201 PolarHBondContact O-N 3.48Å; A198-L202 PolarHBondContact O-N 3.15Å; A198-A224 HydrophobicContact CB-CB 4.22Å; A198-L227 HydrophobicContact CB-CB 4.49Å; A198-N228 HydrophobicContact CB-CB 3.85Å |
| 199 | E | 78.9 | Confident | 85.4 | Confident | 140 Ų | 140 | 48.4 Ų | 48.4 | 65% | 0.654 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -57 | -29.4 | 178.3 | -68.3 | 166.9 | -157.8 | 0 | 0 | 113.9 | P197 R201 L202 G203 | P197-E199 PolarHBondContact O-N 3.25Å; P197-E199 VanDerWaalsContact O-N 3.17Å; E199-R201 VanDerWaalsContact C-N 3.33Å; E199-L202 WeakPolarHBondContact O-CB 3.3Å; E199-L202 PolarHBondContact O-N 2.93Å; E199-G203 PolarHBondContact O-N 3.4Å |
| 200 | V | 85.1 | Confident | 85.4 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 5% | 0.048 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.7 | -31.8 | 176.4 | 177.9 | 0 | 0 | 0 | 0 | 111.7 | L167 Y186 A189 L190 C196 P197 A198 M204 | L167-V200 HydrophobicContact CD1-CG2 3.58Å; L167-V200 HydrophobicContact CD2-CB 4.19Å; L167-V200 HydrophobicContact CD2-CG1 3.66Å; L167-V200 HydrophobicContact CD2-CG2 3.59Å; L167-V200 HydrophobicContact CG-CG2 4.24Å; Y186-V200 HydrophobicContact CD1-CG1 4.21Å; A189-V200 HydrophobicContact CB-CG1 4.48Å; L190-V200 HydrophobicContact CD1-CG1 4.35Å; L190-V200 HydrophobicContact CD2-CB 4.42Å; L190-V200 HydrophobicContact CD2-CG1 3.82Å; L190-V200 HydrophobicContact CG-CG1 3.81Å; C196-V200 HydrophobicContact CB-CG2 4.44Å; C196-V200 VanDerWaalsContact SG-CG2 3.55Å; P197-V200 PolarHBondContact O-N 3.19Å; P197-V200 VanDerWaalsContact O-N 3.13Å; A198-V200 PolarHBondContact O-N 3.3Å; V200-M204 PolarHBondContact O-N 2.88Å |
| 201 | R | 88.1 | Confident | 85.6 | Confident | 34 Ų | 34 | 55.5 Ų | 55.5 | 13% | 0.128 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -78.4 | -32.6 | 173.7 | -65.2 | 175.4 | -178.8 | 78.8 | -2.9 | 111.2 | L190 P194 C196 A198 E199 M204 G205 A224 L227 | L190-R201 HydrophobicContact CD1-CG 4.19Å; L190-R201 HydrophobicContact CD2-CG 4.14Å; P194-R201 PolarHBondContact O-NH2 3.03Å; C196-R201 PolarHBondContact O-NH1 2.95Å; A198-R201 WeakPolarHBondContact O-CA 3.45Å; A198-R201 WeakPolarHBondContact O-CB 3.41Å; A198-R201 PolarHBondContact O-N 3.48Å; E199-R201 VanDerWaalsContact C-N 3.33Å; R201-M204 PolarHBondContact O-N 3.05Å; R201-G205 PolarHBondContact O-N 3.41Å; R201-A224 HydrophobicContact CB-CB 4.14Å; R201-L227 VanDerWaalsContact CZ-CD1 3.4Å; R201-L227 VanDerWaalsContact NH1-CD1 3.33Å |
| 202 | L | 89.8 | Confident | 85.7 | Confident | 26 Ų | 26 | 52 Ų | 52 | 14% | 0.136 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.4 | -52.8 | 169.1 | 177.6 | 63.2 | 0 | 0 | 0 | 111.6 | A198 E199 M204 G205 H206 F221 G233 A234 | A198-L202 PolarHBondContact O-N 3.15Å; E199-L202 WeakPolarHBondContact O-CB 3.3Å; E199-L202 PolarHBondContact O-N 2.93Å; L202-M204 PolarHBondContact O-N 3.27Å; L202-G205 WeakPolarHBondContact O-CA 3.44Å; L202-G205 PolarHBondContact O-N 3.47Å; L202-H206 WeakPolarHBondContact CD1-NE2 3.24Å; L202-H206 PolarHBondContact O-CD2 3.46Å; L202-H206 PolarHBondContact O-N 3.36Å; L202-F221 HydrophobicContact CD1-CD1 4.05Å; L202-F221 HydrophobicContact CD1-CE1 3.85Å; L202-G233 WeakPolarHBondContact CD1-O 3.12Å; L202-A234 HydrophobicContact CD1-CB 4.15Å |
| 203 | G | 86.6 | Confident | 86.1 | Confident | 11 Ų | 11 | 53.6 Ų | 53.6 | 11% | 0.113 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.7 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | E199 G205 H206 C207 | E199-G203 PolarHBondContact O-N 3.4Å; G203-G205 VanDerWaalsContact C-N 3.31Å; G203-G205 PolarHBondContact O-N 2.92Å; G203-H206 PolarHBondContact O-N 3.16Å; G203-C207 PolarHBondContact O-N 2.9Å; G203-C207 PolarHBondContact O-SG 3.27Å; G203-C207 VanDerWaalsContact O-SG 3.38Å |
| 204 | M | 89.8 | Confident | 86.5 | Confident | 26 Ų | 26 | 53.2 Ų | 53.2 | 13% | 0.128 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 172.8 | -174.6 | -180 | 60.7 | 0 | 0 | 112.6 | Y186 K187 L190 V200 R201 L202 C207 F208 A220 | Y186-M204 HydrophobicContact CG-CB 4.49Å; K187-M204 HydrophobicContact CG-SD 4.38Å; L190-M204 HydrophobicContact CD1-CE 3.9Å; L190-M204 HydrophobicContact CD1-SD 3.97Å; V200-M204 PolarHBondContact O-N 2.88Å; R201-M204 PolarHBondContact O-N 3.05Å; L202-M204 PolarHBondContact O-N 3.27Å; M204-C207 WeakPolarHBondContact O-CB 3.25Å; M204-C207 PolarHBondContact O-N 3.42Å; M204-F208 HydrophobicContact CE-CE2 4.14Å; M204-F208 HydrophobicContact CG-CD2 4.01Å; M204-F208 HydrophobicContact CG-CE2 3.6Å; M204-F208 HydrophobicContact CG-CZ 4.34Å; M204-F208 VanDerWaalsContact O-CD2 3.24Å; M204-F208 WeakPolarHBondContact O-CD2 3.49Å; M204-F208 PolarHBondContact O-N 3.18Å; M204-F208 HydrophobicContact SD-CE2 3.88Å; M204-F208 HydrophobicContact SD-CZ 4.39Å; M204-A220 HydrophobicContact CE-CB 4.07Å |
| 205 | G | 91 | Very high | 87 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R201 L202 G203 C207 F208 V209 | R201-G205 PolarHBondContact O-N 3.41Å; L202-G205 WeakPolarHBondContact O-CA 3.44Å; L202-G205 PolarHBondContact O-N 3.47Å; G203-G205 VanDerWaalsContact C-N 3.31Å; G203-G205 PolarHBondContact O-N 2.92Å; G205-C207 VanDerWaalsContact C-N 3.33Å; G205-C207 PolarHBondContact O-N 2.96Å; G205-F208 WeakPolarHBondContact O-CA 3.45Å; G205-F208 WeakPolarHBondContact O-CB 3.44Å; G205-F208 PolarHBondContact O-N 3.2Å; G205-V209 WeakPolarHBondContact O-CG2 3.27Å; G205-V209 PolarHBondContact O-N 3.02Å |
| 206 | H | 90.1 | Very high | 87.6 | Confident | 74 Ų | 74 | 57.9 Ų | 57.9 | 34% | 0.343 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 174.3 | -64.4 | -59.8 | 0 | 0 | 0 | 112.6 | F174 L202 G203 F208 V209 K210 | F174-H206 HydrophobicContact CE2-CB 4.08Å; F174-H206 HydrophobicContact CZ-CB 4.16Å; L202-H206 WeakPolarHBondContact CD1-NE2 3.24Å; L202-H206 PolarHBondContact O-CD2 3.46Å; L202-H206 PolarHBondContact O-N 3.36Å; G203-H206 PolarHBondContact O-N 3.16Å; H206-F208 VanDerWaalsContact C-N 3.32Å; H206-F208 PolarHBondContact O-N 3.23Å; H206-V209 PolarHBondContact O-N 2.82Å; H206-K210 PolarHBondContact O-N 3.01Å |
| 207 | C | 91.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.2 | -39.9 | 170.2 | -65.3 | 0 | 0 | 0 | 0 | 112.4 | L183 G203 M204 G205 L211 | L183-C207 HydrophobicContact CB-CB 4.06Å; L183-C207 HydrophobicContact CD1-CB 4.12Å; L183-C207 HydrophobicContact CG-CB 4.46Å; G203-C207 PolarHBondContact O-N 2.9Å; G203-C207 PolarHBondContact O-SG 3.27Å; G203-C207 VanDerWaalsContact O-SG 3.38Å; M204-C207 WeakPolarHBondContact O-CB 3.25Å; M204-C207 PolarHBondContact O-N 3.42Å; G205-C207 VanDerWaalsContact C-N 3.33Å; G205-C207 PolarHBondContact O-N 2.96Å; C207-L211 VanDerWaalsContact O-CB 3.29Å; C207-L211 WeakPolarHBondContact O-CB 3.43Å; C207-L211 VanDerWaalsContact O-CG 3.27Å; C207-L211 WeakPolarHBondContact O-CG 3.39Å; C207-L211 PolarHBondContact O-N 3.49Å |
| 208 | F | 92.6 | Very high | 88.9 | Confident | 20 Ų | 20 | 58 Ų | 58 | 9% | 0.088 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 175.5 | -76.1 | -55.1 | 0 | 0 | 0 | 112.6 | L183 M204 G205 H206 L211 N212 K213 K216 A217 A220 | L183-F208 HydrophobicContact CD1-CD1 3.79Å; L183-F208 HydrophobicContact CD1-CE1 3.69Å; L183-F208 HydrophobicContact CD1-CG 4.42Å; L183-F208 HydrophobicContact CD1-CZ 4.25Å; M204-F208 HydrophobicContact CE-CE2 4.14Å; M204-F208 HydrophobicContact CG-CD2 4.01Å; M204-F208 HydrophobicContact CG-CE2 3.6Å; M204-F208 HydrophobicContact CG-CZ 4.34Å; M204-F208 VanDerWaalsContact O-CD2 3.24Å; M204-F208 WeakPolarHBondContact O-CD2 3.49Å; M204-F208 PolarHBondContact O-N 3.18Å; M204-F208 HydrophobicContact SD-CE2 3.88Å; M204-F208 HydrophobicContact SD-CZ 4.39Å; G205-F208 WeakPolarHBondContact O-CA 3.45Å; G205-F208 WeakPolarHBondContact O-CB 3.44Å; G205-F208 PolarHBondContact O-N 3.2Å; H206-F208 VanDerWaalsContact C-N 3.32Å; H206-F208 PolarHBondContact O-N 3.23Å; F208-L211 CarbonylContact O-C 3.55Å; F208-L211 PolarHBondContact O-N 2.8Å; F208-N212 PolarHBondContact O-N 3.04Å; F208-K213 HydrophobicContact CB-CB 4.25Å; F208-K213 HydrophobicContact CD1-CB 3.92Å; F208-K213 HydrophobicContact CD1-CD 4.18Å; F208-K213 PolarHBondContact O-N 2.91Å; F208-K216 HydrophobicContact CB-CB 4.48Å; F208-K216 HydrophobicContact CD1-CB 3.74Å; F208-K216 HydrophobicContact CD2-CB 3.93Å; F208-K216 VanDerWaalsContact CD2-O 3.26Å; F208-K216 WeakPolarHBondContact CD2-O 3.46Å; F208-K216 HydrophobicContact CE1-CB 3.8Å; F208-K216 HydrophobicContact CE1-CD 4.24Å; F208-K216 HydrophobicContact CE2-CB 3.98Å; F208-K216 HydrophobicContact CG-CB 3.82Å; F208-K216 HydrophobicContact CZ-CB 3.92Å; F208-A217 HydrophobicContact CB-CB 3.82Å; F208-A220 HydrophobicContact CD2-CB 4.38Å |
| 209 | V | 90.1 | Very high | 89.4 | Confident | 54 Ų | 54 | 63.4 Ų | 63.4 | 33% | 0.327 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61 | -52.3 | 174 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | G205 H206 L211 N212 A217 F221 L241 | G205-V209 WeakPolarHBondContact O-CG2 3.27Å; G205-V209 PolarHBondContact O-N 3.02Å; H206-V209 PolarHBondContact O-N 2.82Å; V209-L211 PolarHBondContact O-N 3.46Å; V209-N212 PolarHBondContact O-N 3.34Å; V209-A217 HydrophobicContact CG2-CB 3.58Å; V209-F221 HydrophobicContact CG2-CE2 4.06Å; V209-F221 HydrophobicContact CG2-CZ 4.1Å; V209-L241 HydrophobicContact CG2-CD2 4.28Å |
| 210 | K | 88.1 | Confident | 89.9 | Confident | 128 Ų | 128 | 57 Ų | 57 | 56% | 0.557 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -65.2 | -19.3 | 179.4 | -63.8 | -64.3 | -175.7 | -178.2 | 0 | 113.7 | F174 Y179 H206 | F174-K210 HydrophobicContact CE2-CG 4.22Å; F174-K210 HydrophobicContact CZ-CG 4.36Å; Y179-K210 HydrophobicContact CD1-CB 4Å; Y179-K210 HydrophobicContact CD1-CG 4.34Å; Y179-K210 HydrophobicContact CD2-CB 3.72Å; Y179-K210 HydrophobicContact CE1-CB 4.09Å; Y179-K210 HydrophobicContact CE1-CG 4.04Å; Y179-K210 HydrophobicContact CE2-CB 3.8Å; Y179-K210 HydrophobicContact CE2-CG 4.35Å; Y179-K210 HydrophobicContact CG-CB 3.83Å; H206-K210 PolarHBondContact O-N 3.01Å |
| 211 | L | 90.6 | Very high | 90.3 | Very high | 51 Ų | 51 | 56.7 Ų | 56.7 | 27% | 0.267 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 17.3 | 173.2 | -69.2 | 173.2 | 0 | 0 | 0 | 114 | L183 C207 F208 V209 K213 | L183-L211 HydrophobicContact CD1-CD1 3.7Å; C207-L211 VanDerWaalsContact O-CB 3.29Å; C207-L211 WeakPolarHBondContact O-CB 3.43Å; C207-L211 VanDerWaalsContact O-CG 3.27Å; C207-L211 WeakPolarHBondContact O-CG 3.39Å; C207-L211 PolarHBondContact O-N 3.49Å; F208-L211 CarbonylContact O-C 3.55Å; F208-L211 PolarHBondContact O-N 2.8Å; V209-L211 PolarHBondContact O-N 3.46Å; L211-K213 HydrophobicContact CB-CD 4.09Å; L211-K213 WeakPolarHBondContact O-CG 3.37Å; L211-K213 PolarHBondContact O-N 3.36Å; L211-K213 PolarHBondContact O-NZ 2.91Å |
| 212 | N | 89.6 | Confident | 90.4 | Very high | 130 Ų | 130 | 57.4 Ų | 57.4 | 70% | 0.695 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 47.7 | -179.5 | -160.6 | 17.2 | 0 | 0 | 0 | 114.5 | F208 V209 | F208-N212 PolarHBondContact O-N 3.04Å; V209-N212 PolarHBondContact O-N 3.34Å |
| 213 | K | 92.3 | Very high | 90.4 | Very high | 98 Ų | 98 | 61.8 Ų | 61.8 | 43% | 0.426 | 30% | 0.298 | S | S | . | . | trans | -120.2 | 59.1 | -178.9 | -75.9 | 153.5 | -174.9 | 131.2 | 0 | 110.1 | F208 L211 E215 K216 A217 | F208-K213 HydrophobicContact CB-CB 4.25Å; F208-K213 HydrophobicContact CD1-CB 3.92Å; F208-K213 HydrophobicContact CD1-CD 4.18Å; F208-K213 PolarHBondContact O-N 2.91Å; L211-K213 HydrophobicContact CB-CD 4.09Å; L211-K213 WeakPolarHBondContact O-CG 3.37Å; L211-K213 PolarHBondContact O-N 3.36Å; L211-K213 PolarHBondContact O-NZ 2.91Å; K213-E215 PolarHBondContact O-N 2.96Å; K213-K216 HydrophobicContact CB-CB 4.4Å; K213-K216 WeakPolarHBondContact O-CA 3.26Å; K213-K216 PolarHBondContact O-N 3.21Å; K213-A217 PolarHBondContact O-N 2.98Å | ||
| 214 | L | 90.2 | Very high | 90.5 | Very high | 63 Ų | 63 | 61.3 Ų | 61.3 | 33% | 0.33 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -52.6 | -47.7 | -168.4 | -51.6 | -175.5 | 0 | 0 | 0 | 112.7 | K216 A217 R218 L241 | L214-K216 VanDerWaalsContact C-N 3.26Å; L214-K216 PolarHBondContact O-N 2.92Å; L214-A217 CarbonylContact O-C 3.27Å; L214-A217 WeakPolarHBondContact O-CA 3.41Å; L214-A217 WeakPolarHBondContact O-CB 3.45Å; L214-A217 PolarHBondContact O-N 3.44Å; L214-R218 PolarHBondContact O-N 3.31Å; L214-L241 HydrophobicContact CB-CD2 4.17Å; L214-L241 HydrophobicContact CD2-CD2 3.77Å; L214-L241 HydrophobicContact CG-CD2 4.43Å |
| 215 | E | 88.9 | Confident | 90.4 | Very high | 131 Ų | 131 | 61.2 Ų | 61.2 | 61% | 0.612 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -53.9 | -38.8 | 174.6 | -63.2 | -46.3 | 113.7 | 0 | 0 | 114.2 | K213 R218 L219 | K213-E215 PolarHBondContact O-N 2.96Å; E215-R218 PolarHBondContact O-N 3.22Å; E215-L219 WeakPolarHBondContact O-CG 3.42Å; E215-L219 PolarHBondContact O-N 2.91Å |
| 216 | K | 90.6 | Very high | 90.3 | Very high | 124 Ų | 124 | 66.3 Ų | 66.3 | 54% | 0.539 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -81.5 | -23.4 | -178.7 | -64.2 | 179.8 | 179.7 | 174.1 | 0 | 111.7 | F208 K213 L214 A220 | F208-K216 HydrophobicContact CB-CB 4.48Å; F208-K216 HydrophobicContact CD1-CB 3.74Å; F208-K216 HydrophobicContact CD2-CB 3.93Å; F208-K216 VanDerWaalsContact CD2-O 3.26Å; F208-K216 WeakPolarHBondContact CD2-O 3.46Å; F208-K216 HydrophobicContact CE1-CB 3.8Å; F208-K216 HydrophobicContact CE1-CD 4.24Å; F208-K216 HydrophobicContact CE2-CB 3.98Å; F208-K216 HydrophobicContact CG-CB 3.82Å; F208-K216 HydrophobicContact CZ-CB 3.92Å; K213-K216 HydrophobicContact CB-CB 4.4Å; K213-K216 WeakPolarHBondContact O-CA 3.26Å; K213-K216 PolarHBondContact O-N 3.21Å; L214-K216 VanDerWaalsContact C-N 3.26Å; L214-K216 PolarHBondContact O-N 2.92Å; K216-A220 VanDerWaalsContact O-CB 3.29Å; K216-A220 WeakPolarHBondContact O-CB 3.05Å; K216-A220 PolarHBondContact O-N 3.46Å |
| 217 | A | 92.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.4 | -46.7 | 165 | 0 | 0 | 0 | 0 | 0 | 111.2 | F208 V209 K213 L214 L219 A220 F221 L241 | F208-A217 HydrophobicContact CB-CB 3.82Å; V209-A217 HydrophobicContact CG2-CB 3.58Å; K213-A217 PolarHBondContact O-N 2.98Å; L214-A217 CarbonylContact O-C 3.27Å; L214-A217 WeakPolarHBondContact O-CA 3.41Å; L214-A217 WeakPolarHBondContact O-CB 3.45Å; L214-A217 PolarHBondContact O-N 3.44Å; A217-L219 PolarHBondContact O-N 3.04Å; A217-A220 PolarHBondContact O-N 3.26Å; A217-F221 HydrophobicContact CB-CD2 4.42Å; A217-F221 HydrophobicContact CB-CE2 3.96Å; A217-F221 HydrophobicContact CB-CZ 4.44Å; A217-F221 VanDerWaalsContact O-CD2 3.29Å; A217-F221 WeakPolarHBondContact O-CD2 3.48Å; A217-F221 WeakPolarHBondContact O-CG 3.19Å; A217-F221 PolarHBondContact O-N 3.1Å; A217-L241 HydrophobicContact CB-CD1 3.98Å |
| 218 | R | 89.9 | Confident | 89.8 | Confident | 91 Ų | 91 | 70.1 Ų | 70.1 | 34% | 0.343 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -53.2 | -50.3 | 176.3 | -167.8 | -175.4 | -175.4 | 96.2 | 13 | 111.5 | L214 E215 A220 F221 S222 L238 L241 E242 | L214-R218 PolarHBondContact O-N 3.31Å; E215-R218 PolarHBondContact O-N 3.22Å; R218-A220 PolarHBondContact O-N 3.32Å; R218-F221 PolarHBondContact O-N 2.91Å; R218-S222 WeakPolarHBondContact O-CB 3.46Å; R218-S222 PolarHBondContact O-N 3.46Å; R218-L238 HydrophobicContact CG-CD1 3.84Å; R218-L241 HydrophobicContact CB-CD1 4.22Å; R218-E242 IonicContact CZ-OE1 2.8Å; R218-E242 IonicContact CZ-OE2 2.63Å; R218-E242 IonicContact NH1-OE1 3.56Å; R218-E242 PolarHBondContact NH1-OE1 3.39Å; R218-E242 IonicContact NH1-OE2 2.67Å; R218-E242 PolarHBondContact NH1-OE2 2.95Å; R218-E242 IonicContact NH2-OE1 3.2Å; R218-E242 PolarHBondContact NH2-OE1 2.9Å; R218-E242 IonicContact NH2-OE2 2.59Å |
| 219 | L | 91.1 | Very high | 89.5 | Confident | 122 Ų | 122 | 72.9 Ų | 72.9 | 64% | 0.639 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.4 | -38.8 | 175.5 | -69.5 | 171 | 0 | 0 | 0 | 113.1 | E215 A217 R223 | E215-L219 WeakPolarHBondContact O-CG 3.42Å; E215-L219 PolarHBondContact O-N 2.91Å; A217-L219 PolarHBondContact O-N 3.04Å; L219-R223 WeakPolarHBondContact O-CB 3.4Å; L219-R223 PolarHBondContact O-N 3.27Å |
| 220 | A | 90.2 | Very high | 89.3 | Confident | 6 Ų | 6 | 77.3 Ų | 77.3 | 5% | 0.05 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68 | -40.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M204 F208 K216 A217 R218 A224 | M204-A220 HydrophobicContact CE-CB 4.07Å; F208-A220 HydrophobicContact CD2-CB 4.38Å; K216-A220 VanDerWaalsContact O-CB 3.29Å; K216-A220 WeakPolarHBondContact O-CB 3.05Å; K216-A220 PolarHBondContact O-N 3.46Å; A217-A220 PolarHBondContact O-N 3.26Å; R218-A220 PolarHBondContact O-N 3.32Å; A220-A224 WeakPolarHBondContact O-CB 3.48Å; A220-A224 PolarHBondContact O-N 2.87Å |
| 221 | F | 92.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 71.9 Ų | 71.9 | 0% | 0.004 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -71.7 | -42.2 | 176.1 | -60.2 | -36.8 | 0 | 0 | 0 | 112.1 | L202 V209 A217 R218 R223 A224 L225 A234 G237 L238 L241 | L202-F221 HydrophobicContact CD1-CD1 4.05Å; L202-F221 HydrophobicContact CD1-CE1 3.85Å; V209-F221 HydrophobicContact CG2-CE2 4.06Å; V209-F221 HydrophobicContact CG2-CZ 4.1Å; A217-F221 HydrophobicContact CB-CD2 4.42Å; A217-F221 HydrophobicContact CB-CE2 3.96Å; A217-F221 HydrophobicContact CB-CZ 4.44Å; A217-F221 VanDerWaalsContact O-CD2 3.29Å; A217-F221 WeakPolarHBondContact O-CD2 3.48Å; A217-F221 WeakPolarHBondContact O-CG 3.19Å; A217-F221 PolarHBondContact O-N 3.1Å; R218-F221 PolarHBondContact O-N 2.91Å; F221-R223 PolarHBondContact O-N 2.9Å; F221-A224 WeakPolarHBondContact O-CB 3.45Å; F221-A224 PolarHBondContact O-N 3.2Å; F221-A224 VanDerWaalsContact O-N 3.17Å; F221-L225 WeakPolarHBondContact O-CG 3.43Å; F221-L225 PolarHBondContact O-N 3.43Å; F221-A234 HydrophobicContact CB-CB 4.47Å; F221-G237 VanDerWaalsContact CD2-C 3.47Å; F221-G237 VanDerWaalsContact CE2-C 3.47Å; F221-G237 WeakPolarHBondContact CE2-O 3.31Å; F221-L238 HydrophobicContact CB-CB 4.39Å; F221-L241 HydrophobicContact CD2-CD1 3.84Å; F221-L241 HydrophobicContact CE2-CD1 3.86Å; F221-L241 HydrophobicContact CE2-CG 4.49Å |
| 222 | S | 90.9 | Very high | 89.1 | Confident | 50 Ų | 50 | 70.2 Ų | 70.2 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -54.5 | -52 | 171.4 | -173.9 | 0 | 0 | 0 | 0 | 110.8 | R218 A224 L225 E226 | R218-S222 WeakPolarHBondContact O-CB 3.46Å; R218-S222 PolarHBondContact O-N 3.46Å; S222-A224 PolarHBondContact O-N 3.35Å; S222-L225 PolarHBondContact O-N 3.34Å; S222-E226 VanDerWaalsContact C-OE1 3.24Å; S222-E226 WeakPolarHBondContact O-CG 3.45Å; S222-E226 PolarHBondContact O-N 3.47Å; S222-E226 PolarHBondContact OG-OE1 3.42Å |
| 223 | R | 88.9 | Confident | 88.9 | Confident | 118 Ų | 118 | 65.4 Ų | 65.4 | 45% | 0.445 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.8 | -21.1 | -178.6 | -169 | 55.8 | -175.8 | 164.6 | 7 | 113.5 | L219 F221 E226 L227 | L219-R223 WeakPolarHBondContact O-CB 3.4Å; L219-R223 PolarHBondContact O-N 3.27Å; F221-R223 PolarHBondContact O-N 2.9Å; R223-E226 WeakPolarHBondContact CD-OE2 3.37Å; R223-E226 IonicContact CZ-OE2 3.17Å; R223-E226 PolarHBondContact N-OE1 2.92Å; R223-E226 IonicContact NE-OE2 2.89Å; R223-E226 IonicContact NH1-OE2 2.66Å; R223-E226 PolarHBondContact NH1-OE2 3.35Å; R223-L227 WeakPolarHBondContact O-CD1 3.36Å; R223-L227 WeakPolarHBondContact O-CG 3.42Å |
| 224 | A | 89.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.2 | -42 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A198 R201 A220 F221 S222 L227 N228 A234 | A198-A224 HydrophobicContact CB-CB 4.22Å; R201-A224 HydrophobicContact CB-CB 4.14Å; A220-A224 WeakPolarHBondContact O-CB 3.48Å; A220-A224 PolarHBondContact O-N 2.87Å; F221-A224 WeakPolarHBondContact O-CB 3.45Å; F221-A224 PolarHBondContact O-N 3.2Å; F221-A224 VanDerWaalsContact O-N 3.17Å; S222-A224 PolarHBondContact O-N 3.35Å; A224-L227 PolarHBondContact O-N 3.29Å; A224-N228 PolarHBondContact O-N 3.19Å; A224-A234 HydrophobicContact CB-CB 3.82Å |
| 225 | L | 88.3 | Confident | 88.7 | Confident | 25 Ų | 25 | 57.8 Ų | 57.8 | 13% | 0.131 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70 | -32.5 | 177.6 | -68.2 | 169.5 | 0 | 0 | 0 | 113.4 | F221 S222 L227 N228 S229 A234 L235 L238 | F221-L225 WeakPolarHBondContact O-CG 3.43Å; F221-L225 PolarHBondContact O-N 3.43Å; S222-L225 PolarHBondContact O-N 3.34Å; L225-L227 VanDerWaalsContact C-N 3.28Å; L225-L227 PolarHBondContact O-N 3.01Å; L225-N228 CarbonylContact O-C 3.59Å; L225-N228 VanDerWaalsContact O-C 3.28Å; L225-S229 WeakPolarHBondContact O-CA 3.33Å; L225-S229 PolarHBondContact O-N 3.37Å; L225-A234 HydrophobicContact CD2-CB 3.97Å; L225-A234 HydrophobicContact CG-CB 3.89Å; L225-L235 HydrophobicContact CD1-CD1 3.74Å; L225-L235 HydrophobicContact CD2-CB 4.06Å; L225-L235 HydrophobicContact CD2-CD1 3.89Å; L225-L235 HydrophobicContact CG-CD1 4.49Å; L225-L238 HydrophobicContact CD1-CD2 4.16Å |
| 226 | E | 88.5 | Confident | 88.7 | Confident | 107 Ų | 107 | 52 Ų | 52 | 50% | 0.5 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.6 | -29.3 | 171.8 | -70.3 | 158.7 | -130.6 | 0 | 0 | 112.8 | S222 R223 | S222-E226 VanDerWaalsContact C-OE1 3.24Å; S222-E226 WeakPolarHBondContact O-CG 3.45Å; S222-E226 PolarHBondContact O-N 3.47Å; S222-E226 PolarHBondContact OG-OE1 3.42Å; R223-E226 WeakPolarHBondContact CD-OE2 3.37Å; R223-E226 IonicContact CZ-OE2 3.17Å; R223-E226 PolarHBondContact N-OE1 2.92Å; R223-E226 IonicContact NE-OE2 2.89Å; R223-E226 IonicContact NH1-OE2 2.66Å; R223-E226 PolarHBondContact NH1-OE2 3.35Å |
| 227 | L | 86.6 | Confident | 88.5 | Confident | 82 Ų | 82 | 46.6 Ų | 46.6 | 43% | 0.429 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -91 | -30.9 | 178.1 | -70.1 | 169.6 | 0 | 0 | 0 | 112.6 | A198 R201 R223 A224 L225 | A198-L227 HydrophobicContact CB-CB 4.49Å; R201-L227 VanDerWaalsContact CZ-CD1 3.4Å; R201-L227 VanDerWaalsContact NH1-CD1 3.33Å; R223-L227 WeakPolarHBondContact O-CD1 3.36Å; R223-L227 WeakPolarHBondContact O-CG 3.42Å; A224-L227 PolarHBondContact O-N 3.29Å; L225-L227 VanDerWaalsContact C-N 3.28Å; L225-L227 PolarHBondContact O-N 3.01Å |
| 228 | N | 85.4 | Confident | 88.3 | Confident | 71 Ų | 71 | 47.6 Ų | 47.6 | 38% | 0.38 | 25% | 0.249 | S | C | . | . | trans | -146.7 | 101 | 173 | -178.2 | -5.5 | 0 | 0 | 0 | 110 | A198 A224 L225 K230 C231 | A198-N228 HydrophobicContact CB-CB 3.85Å; A224-N228 PolarHBondContact O-N 3.19Å; L225-N228 CarbonylContact O-C 3.59Å; L225-N228 VanDerWaalsContact O-C 3.28Å; N228-K230 PolarHBondContact O-N 2.98Å; N228-K230 VanDerWaalsContact O-N 3.15Å; N228-K230 WeakPolarHBondContact OD1-CA 3.36Å; N228-K230 VanDerWaalsContact OD1-CB 3.28Å; N228-K230 WeakPolarHBondContact OD1-CB 3.25Å; N228-K230 PolarHBondContact OD1-N 3.08Å; N228-C231 HydrophobicContact CB-CB 4.26Å; N228-C231 VanDerWaalsContact O-CB 3.23Å; N228-C231 WeakPolarHBondContact O-CB 3.44Å; N228-C231 PolarHBondContact O-N 3.42Å | ||
| 229 | S | 84.9 | Confident | 88.3 | Confident | 79 Ų | 79 | 43.3 Ų | 43.3 | 55% | 0.552 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -12.3 | 179.9 | 60 | 0 | 0 | 0 | 0 | 114.2 | L225 R260 | L225-S229 WeakPolarHBondContact O-CA 3.33Å; L225-S229 PolarHBondContact O-N 3.37Å; S229-R260 PolarHBondContact O-NH2 3.33Å |
| 230 | K | 86.3 | Confident | 88.1 | Confident | 147 Ų | 147 | 39.3 Ų | 39.3 | 64% | 0.639 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 1 | 174.6 | -155.9 | -179.5 | 178.4 | -179.5 | 0 | 112.8 | N228 V232 I264 | N228-K230 PolarHBondContact O-N 2.98Å; N228-K230 VanDerWaalsContact O-N 3.15Å; N228-K230 WeakPolarHBondContact OD1-CA 3.36Å; N228-K230 VanDerWaalsContact OD1-CB 3.28Å; N228-K230 WeakPolarHBondContact OD1-CB 3.25Å; N228-K230 PolarHBondContact OD1-N 3.08Å; K230-V232 PolarHBondContact O-N 3.47Å; K230-I264 HydrophobicContact CG-CG2 3.55Å |
| 231 | C | 86.9 | Confident | 88 | Confident | 13 Ų | 13 | 39.4 Ų | 39.4 | 9% | 0.088 | 21% | 0.213 | C | C | . | . | trans | -73.7 | 86.7 | -178.9 | -169.8 | 0 | 0 | 0 | 0 | 112.4 | N228 G233 A234 L235 | N228-C231 HydrophobicContact CB-CB 4.26Å; N228-C231 VanDerWaalsContact O-CB 3.23Å; N228-C231 WeakPolarHBondContact O-CB 3.44Å; N228-C231 PolarHBondContact O-N 3.42Å; C231-G233 VanDerWaalsContact C-N 3.33Å; C231-G233 PolarHBondContact O-N 3.47Å; C231-A234 HydrophobicContact CB-CB 4.26Å; C231-A234 PolarHBondContact O-N 2.98Å; C231-A234 VanDerWaalsContact O-N 3.14Å; C231-L235 PolarHBondContact O-N 3.27Å | ||
| 232 | V | 87.2 | Confident | 87.7 | Confident | 17 Ų | 17 | 40.1 Ų | 40.1 | 10% | 0.103 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -53.2 | -46 | -178.4 | -178.7 | 0 | 0 | 0 | 0 | 112.2 | K230 A234 L235 V236 A261 I264 D265 V271 | K230-V232 PolarHBondContact O-N 3.47Å; V232-A234 VanDerWaalsContact C-N 3.28Å; V232-A234 PolarHBondContact O-N 3.42Å; V232-L235 WeakPolarHBondContact O-CB 3.17Å; V232-L235 PolarHBondContact O-N 3.37Å; V232-V236 HydrophobicContact CG1-CG2 4.16Å; V232-V236 WeakPolarHBondContact O-CG2 3.18Å; V232-V236 PolarHBondContact O-N 3.01Å; V232-A261 HydrophobicContact CG1-CB 4.25Å; V232-I264 HydrophobicContact CG2-CB 4.01Å; V232-I264 HydrophobicContact CG2-CG2 3.48Å; V232-I264 VanDerWaalsContact CG2-CG2 3.48Å; V232-D265 HydrophobicContact CG1-CB 4.32Å; V232-D265 HydrophobicContact CG2-CB 3.79Å; V232-V271 HydrophobicContact CG1-CG2 4.05Å |
| 233 | G | 85.4 | Confident | 87.3 | Confident | 29 Ų | 29 | 40.1 Ų | 40.1 | 30% | 0.299 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.9 | -36 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L202 C231 G237 | L202-G233 WeakPolarHBondContact CD1-O 3.12Å; C231-G233 VanDerWaalsContact C-N 3.33Å; C231-G233 PolarHBondContact O-N 3.47Å; G233-G237 PolarHBondContact O-N 3.08Å |
| 234 | A | 88.3 | Confident | 87 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73.9 | -34 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L202 F221 A224 L225 C231 V232 L238 | L202-A234 HydrophobicContact CD1-CB 4.15Å; F221-A234 HydrophobicContact CB-CB 4.47Å; A224-A234 HydrophobicContact CB-CB 3.82Å; L225-A234 HydrophobicContact CD2-CB 3.97Å; L225-A234 HydrophobicContact CG-CB 3.89Å; C231-A234 HydrophobicContact CB-CB 4.26Å; C231-A234 PolarHBondContact O-N 2.98Å; C231-A234 VanDerWaalsContact O-N 3.14Å; V232-A234 VanDerWaalsContact C-N 3.28Å; V232-A234 PolarHBondContact O-N 3.42Å; A234-L238 WeakPolarHBondContact O-CB 3.42Å; A234-L238 PolarHBondContact O-N 3.3Å |
| 235 | L | 90.1 | Very high | 86.6 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.4 | -42.4 | 176.8 | -155.9 | 69.2 | 0 | 0 | 0 | 111.5 | L225 C231 V232 L238 A239 L257 R260 A261 I264 | L225-L235 HydrophobicContact CD1-CD1 3.74Å; L225-L235 HydrophobicContact CD2-CB 4.06Å; L225-L235 HydrophobicContact CD2-CD1 3.89Å; L225-L235 HydrophobicContact CG-CD1 4.49Å; C231-L235 PolarHBondContact O-N 3.27Å; V232-L235 WeakPolarHBondContact O-CB 3.17Å; V232-L235 PolarHBondContact O-N 3.37Å; L235-L238 PolarHBondContact O-N 3.1Å; L235-A239 WeakPolarHBondContact O-CB 3.32Å; L235-A239 PolarHBondContact O-N 3.49Å; L235-L257 HydrophobicContact CD1-CD2 3.56Å; L235-L257 WeakPolarHBondContact CD2-O 3.36Å; L235-L257 HydrophobicContact CG-CB 4.44Å; L235-L257 HydrophobicContact CG-CD2 4.24Å; L235-R260 HydrophobicContact CD2-CB 3.95Å; L235-R260 HydrophobicContact CD2-CG 3.69Å; L235-A261 HydrophobicContact CD2-CB 3.95Å; L235-I264 HydrophobicContact CD2-CD1 4.29Å |
| 236 | V | 88.7 | Confident | 86 | Confident | 9 Ų | 9 | 50.2 Ų | 50.2 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.2 | -43.7 | 173.2 | 177 | 0 | 0 | 0 | 0 | 111.1 | V232 L238 A239 V240 L258 A261 M270 V271 | V232-V236 HydrophobicContact CG1-CG2 4.16Å; V232-V236 WeakPolarHBondContact O-CG2 3.18Å; V232-V236 PolarHBondContact O-N 3.01Å; V236-L238 PolarHBondContact O-N 3.19Å; V236-A239 PolarHBondContact O-N 3.07Å; V236-A239 VanDerWaalsContact O-N 3.13Å; V236-V240 HydrophobicContact CG1-CG2 4.27Å; V236-V240 WeakPolarHBondContact O-CG2 3.26Å; V236-V240 PolarHBondContact O-N 2.77Å; V236-L258 HydrophobicContact CG2-CD2 4.49Å; V236-A261 HydrophobicContact CG2-CB 4.07Å; V236-M270 HydrophobicContact CG1-CB 4.38Å; V236-M270 HydrophobicContact CG1-CG 3.7Å; V236-V271 HydrophobicContact CG2-CG2 3.45Å; V236-V271 VanDerWaalsContact CG2-CG2 3.45Å |
| 237 | G | 87 | Confident | 85.8 | Confident | 10 Ų | 10 | 51.6 Ų | 51.6 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.6 | -37.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F221 G233 L241 | F221-G237 VanDerWaalsContact CD2-C 3.47Å; F221-G237 VanDerWaalsContact CE2-C 3.47Å; F221-G237 WeakPolarHBondContact CE2-O 3.31Å; G233-G237 PolarHBondContact O-N 3.08Å; G237-L241 WeakPolarHBondContact O-CG 3.48Å; G237-L241 PolarHBondContact O-N 2.98Å |
| 238 | L | 88.7 | Confident | 85.4 | Confident | 22 Ų | 22 | 51.8 Ų | 51.8 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.4 | -46 | 172.6 | -166.8 | 69.3 | 0 | 0 | 0 | 111.8 | R218 F221 L225 A234 L235 V236 V240 L241 E242 L257 | R218-L238 HydrophobicContact CG-CD1 3.84Å; F221-L238 HydrophobicContact CB-CB 4.39Å; L225-L238 HydrophobicContact CD1-CD2 4.16Å; A234-L238 WeakPolarHBondContact O-CB 3.42Å; A234-L238 PolarHBondContact O-N 3.3Å; L235-L238 PolarHBondContact O-N 3.1Å; V236-L238 PolarHBondContact O-N 3.19Å; L238-V240 VanDerWaalsContact C-N 3.31Å; L238-V240 PolarHBondContact O-N 2.92Å; L238-L241 WeakPolarHBondContact O-CB 3.48Å; L238-L241 PolarHBondContact O-N 3.35Å; L238-L241 VanDerWaalsContact O-N 3.09Å; L238-E242 WeakPolarHBondContact O-CG 3.39Å; L238-E242 PolarHBondContact O-N 2.67Å; L238-E242 VanDerWaalsContact O-N 3.1Å; L238-L257 HydrophobicContact CB-CD1 4.3Å; L238-L257 HydrophobicContact CD2-CD1 3.85Å; L238-L257 HydrophobicContact CD2-CD2 4.19Å; L238-L257 HydrophobicContact CG-CD1 3.94Å |
| 239 | A | 88.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.6 | -38.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L235 V236 L241 E242 L243 L257 L258 | L235-A239 WeakPolarHBondContact O-CB 3.32Å; L235-A239 PolarHBondContact O-N 3.49Å; V236-A239 PolarHBondContact O-N 3.07Å; V236-A239 VanDerWaalsContact O-N 3.13Å; A239-L241 VanDerWaalsContact C-N 3.34Å; A239-E242 PolarHBondContact O-N 2.85Å; A239-L243 WeakPolarHBondContact O-CB 3.21Å; A239-L243 VanDerWaalsContact O-CG 3.31Å; A239-L243 WeakPolarHBondContact O-CG 3.45Å; A239-L243 PolarHBondContact O-N 3.05Å; A239-L257 HydrophobicContact CB-CB 3.82Å; A239-L257 HydrophobicContact CB-CD1 4.4Å; A239-L258 HydrophobicContact CB-CD2 4.1Å; A239-L258 HydrophobicContact CB-CG 3.87Å |
| 240 | V | 87.4 | Confident | 84.9 | Confident | 38 Ų | 38 | 49.2 Ų | 49.2 | 23% | 0.23 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.7 | -34.1 | 175.9 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | V236 L238 N244 H274 | V236-V240 HydrophobicContact CG1-CG2 4.27Å; V236-V240 WeakPolarHBondContact O-CG2 3.26Å; V236-V240 PolarHBondContact O-N 2.77Å; L238-V240 VanDerWaalsContact C-N 3.31Å; L238-V240 PolarHBondContact O-N 2.92Å; V240-N244 WeakPolarHBondContact O-CB 3.38Å; V240-N244 PolarHBondContact O-N 3.07Å; V240-N244 PolarHBondContact O-ND2 3.19Å; V240-H274 VanDerWaalsContact CG2-CD2 3.49Å; V240-H274 WeakPolarHBondContact CG2-CD2 3.23Å; V240-H274 WeakPolarHBondContact CG2-NE2 3.27Å |
| 241 | L | 87.3 | Confident | 84.6 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65 | -46.8 | 172.4 | -70.1 | 172.1 | 0 | 0 | 0 | 110.9 | V209 L214 A217 R218 F221 G237 L238 A239 N244 N245 | V209-L241 HydrophobicContact CG2-CD2 4.28Å; L214-L241 HydrophobicContact CB-CD2 4.17Å; L214-L241 HydrophobicContact CD2-CD2 3.77Å; L214-L241 HydrophobicContact CG-CD2 4.43Å; A217-L241 HydrophobicContact CB-CD1 3.98Å; R218-L241 HydrophobicContact CB-CD1 4.22Å; F221-L241 HydrophobicContact CD2-CD1 3.84Å; F221-L241 HydrophobicContact CE2-CD1 3.86Å; F221-L241 HydrophobicContact CE2-CG 4.49Å; G237-L241 WeakPolarHBondContact O-CG 3.48Å; G237-L241 PolarHBondContact O-N 2.98Å; L238-L241 WeakPolarHBondContact O-CB 3.48Å; L238-L241 PolarHBondContact O-N 3.35Å; L238-L241 VanDerWaalsContact O-N 3.09Å; A239-L241 VanDerWaalsContact C-N 3.34Å; L241-N244 PolarHBondContact O-N 2.89Å; L241-N245 VanDerWaalsContact O-CG 3.29Å; L241-N245 PolarHBondContact O-N 3.42Å; L241-N245 PolarHBondContact O-ND2 3.33Å; L241-N245 PolarHBondContact O-OD1 2.86Å |
| 242 | E | 85.8 | Confident | 84.4 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 8% | 0.075 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.6 | -41.4 | -179.4 | -59.4 | -72 | -139.6 | 0 | 0 | 112.5 | R218 L238 A239 N244 N245 S250 L257 | R218-E242 IonicContact CZ-OE1 2.8Å; R218-E242 IonicContact CZ-OE2 2.63Å; R218-E242 IonicContact NH1-OE1 3.56Å; R218-E242 PolarHBondContact NH1-OE1 3.39Å; R218-E242 IonicContact NH1-OE2 2.67Å; R218-E242 PolarHBondContact NH1-OE2 2.95Å; R218-E242 IonicContact NH2-OE1 3.2Å; R218-E242 PolarHBondContact NH2-OE1 2.9Å; R218-E242 IonicContact NH2-OE2 2.59Å; L238-E242 WeakPolarHBondContact O-CG 3.39Å; L238-E242 PolarHBondContact O-N 2.67Å; L238-E242 VanDerWaalsContact O-N 3.1Å; A239-E242 PolarHBondContact O-N 2.85Å; E242-N244 VanDerWaalsContact C-N 3.26Å; E242-N244 PolarHBondContact O-N 3.19Å; E242-N245 WeakPolarHBondContact O-CB 3.43Å; E242-N245 PolarHBondContact O-N 3.28Å; E242-N245 VanDerWaalsContact O-N 3.1Å; E242-N245 PolarHBondContact OE2-ND2 3.48Å; E242-S250 VanDerWaalsContact CA-OG 3.3Å; E242-S250 WeakPolarHBondContact CA-OG 3.25Å; E242-S250 WeakPolarHBondContact CB-O 3.2Å; E242-S250 WeakPolarHBondContact CB-OG 3.17Å; E242-S250 PolarHBondContact O-OG 2.92Å; E242-S250 VanDerWaalsContact O-OG 3.04Å; E242-S250 PolarHBondContact OE2-OG 3.44Å; E242-L257 HydrophobicContact CG-CD1 4.32Å |
| 243 | L | 83.4 | Confident | 84.3 | Confident | 50 Ų | 50 | 52.4 Ų | 52.4 | 26% | 0.262 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.8 | -31.4 | 174.2 | -71.8 | 171 | 0 | 0 | 0 | 112.8 | A239 N245 I251 L258 | A239-L243 WeakPolarHBondContact O-CB 3.21Å; A239-L243 VanDerWaalsContact O-CG 3.31Å; A239-L243 WeakPolarHBondContact O-CG 3.45Å; A239-L243 PolarHBondContact O-N 3.05Å; L243-N245 VanDerWaalsContact C-N 3.34Å; L243-I251 HydrophobicContact CD2-CB 4.47Å; L243-I251 HydrophobicContact CD2-CG1 4.49Å; L243-I251 HydrophobicContact CD2-CG2 4.08Å; L243-L258 HydrophobicContact CD1-CD1 3.87Å |
| 244 | N | 82.8 | Confident | 84.2 | Confident | 112 Ų | 112 | 51 Ų | 51 | 60% | 0.599 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -74.7 | -20.8 | 175.5 | -80.1 | -51.4 | 0 | 0 | 0 | 113.4 | V240 L241 E242 K246 | V240-N244 WeakPolarHBondContact O-CB 3.38Å; V240-N244 PolarHBondContact O-N 3.07Å; V240-N244 PolarHBondContact O-ND2 3.19Å; L241-N244 PolarHBondContact O-N 2.89Å; E242-N244 VanDerWaalsContact C-N 3.26Å; E242-N244 PolarHBondContact O-N 3.19Å; N244-K246 PolarHBondContact O-N 2.86Å |
| 245 | N | 81.6 | Confident | 84 | Confident | 65 Ų | 65 | 52.4 Ų | 52.4 | 35% | 0.348 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -12.3 | 179.2 | -65.9 | -26 | 0 | 0 | 0 | 113.1 | L241 E242 L243 E247 | L241-N245 VanDerWaalsContact O-CG 3.29Å; L241-N245 PolarHBondContact O-N 3.42Å; L241-N245 PolarHBondContact O-ND2 3.33Å; L241-N245 PolarHBondContact O-OD1 2.86Å; E242-N245 WeakPolarHBondContact O-CB 3.43Å; E242-N245 PolarHBondContact O-N 3.28Å; E242-N245 VanDerWaalsContact O-N 3.1Å; E242-N245 PolarHBondContact OE2-ND2 3.48Å; L243-N245 VanDerWaalsContact C-N 3.34Å; N245-E247 PolarHBondContact O-N 3.26Å |
| 246 | K | 74.2 | Confident | 83.9 | Confident | 179 Ų | 179 | 58.6 Ų | 58.6 | 78% | 0.778 | 31% | 0.306 | S | S | * | . | trans | 59.9 | -11.6 | 176.4 | -63.9 | -172.8 | 177.1 | -174.2 | 0 | 117.7 | N244 I251 | N244-K246 PolarHBondContact O-N 2.86Å; K246-I251 WeakPolarHBondContact O-CD1 3.4Å | ||
| 247 | E | 85.1 | Confident | 83.8 | Confident | 136 Ų | 136 | 59.6 Ų | 59.6 | 64% | 0.636 | 31% | 0.311 | S | S | * | . | trans | -63.5 | 138.9 | 174.5 | -66.6 | 172.1 | 177.8 | 0 | 0 | 111.4 | N245 D249 S250 I251 | N245-E247 PolarHBondContact O-N 3.26Å; E247-D249 PolarHBondContact O-N 3.4Å; E247-S250 PolarHBondContact O-N 3.11Å; E247-S250 VanDerWaalsContact O-N 3.12Å; E247-I251 WeakPolarHBondContact O-CG1 3.29Å; E247-I251 PolarHBondContact O-N 2.94Å | ||
| 248 | A | 77.9 | Confident | 83.9 | Confident | 86 Ų | 86 | 59.1 Ų | 59.1 | 71% | 0.711 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61 | -38.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K252 | A248-K252 PolarHBondContact O-N 3.5Å; A248-K252 VanDerWaalsContact O-N 3.15Å |
| 249 | D | 79.7 | Confident | 83.9 | Confident | 88 Ų | 88 | 61.1 Ų | 61.1 | 47% | 0.471 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -75.2 | -35.9 | 175.7 | -162.7 | 71.5 | 0 | 0 | 0 | 111.7 | E247 I251 K252 N253 | E247-D249 PolarHBondContact O-N 3.4Å; D249-I251 VanDerWaalsContact C-N 3.35Å; D249-I251 PolarHBondContact O-N 3.26Å; D249-K252 WeakPolarHBondContact O-CB 3.44Å; D249-K252 PolarHBondContact O-N 2.88Å; D249-K252 IonicContact OD1-NZ 2.62Å; D249-K252 PolarHBondContact OD1-NZ 2.96Å; D249-N253 WeakPolarHBondContact O-CB 3.45Å; D249-N253 PolarHBondContact O-N 3.31Å; D249-N253 PolarHBondContact O-ND2 3.36Å; D249-N253 PolarHBondContact OD2-ND2 2.94Å |
| 250 | S | 80.8 | Confident | 83.9 | Confident | 8 Ų | 8 | 66.1 Ų | 66.1 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | 172.8 | -165.4 | 0 | 0 | 0 | 0 | 111.5 | E242 E247 K252 N253 G254 | E242-S250 VanDerWaalsContact CA-OG 3.3Å; E242-S250 WeakPolarHBondContact CA-OG 3.25Å; E242-S250 WeakPolarHBondContact CB-O 3.2Å; E242-S250 WeakPolarHBondContact CB-OG 3.17Å; E242-S250 PolarHBondContact O-OG 2.92Å; E242-S250 VanDerWaalsContact O-OG 3.04Å; E242-S250 PolarHBondContact OE2-OG 3.44Å; E247-S250 PolarHBondContact O-N 3.11Å; E247-S250 VanDerWaalsContact O-N 3.12Å; S250-K252 PolarHBondContact O-N 3.47Å; S250-N253 PolarHBondContact O-N 2.97Å; S250-G254 PolarHBondContact O-N 3.43Å |
| 251 | I | 79.3 | Confident | 84 | Confident | 62 Ų | 62 | 64.3 Ų | 64.3 | 32% | 0.318 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 172.5 | -68.8 | 165.9 | 0 | 0 | 0 | 111.2 | L243 K246 E247 D249 N253 G254 V255 | L243-I251 HydrophobicContact CD2-CB 4.47Å; L243-I251 HydrophobicContact CD2-CG1 4.49Å; L243-I251 HydrophobicContact CD2-CG2 4.08Å; K246-I251 WeakPolarHBondContact O-CD1 3.4Å; E247-I251 WeakPolarHBondContact O-CG1 3.29Å; E247-I251 PolarHBondContact O-N 2.94Å; D249-I251 VanDerWaalsContact C-N 3.35Å; D249-I251 PolarHBondContact O-N 3.26Å; I251-N253 PolarHBondContact O-N 2.88Å; I251-G254 PolarHBondContact O-N 3.31Å; I251-V255 WeakPolarHBondContact O-CG2 3.26Å; I251-V255 PolarHBondContact O-N 2.56Å |
| 252 | K | 83.4 | Confident | 84.1 | Confident | 130 Ų | 130 | 68.2 Ų | 68.2 | 57% | 0.565 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.5 | -42.5 | 177.7 | 175.5 | -176.7 | 157.8 | -145.8 | 0 | 112.1 | A248 D249 S250 V255 Q256 | A248-K252 PolarHBondContact O-N 3.5Å; A248-K252 VanDerWaalsContact O-N 3.15Å; D249-K252 WeakPolarHBondContact O-CB 3.44Å; D249-K252 PolarHBondContact O-N 2.88Å; D249-K252 IonicContact OD1-NZ 2.62Å; D249-K252 PolarHBondContact OD1-NZ 2.96Å; S250-K252 PolarHBondContact O-N 3.47Å; K252-V255 PolarHBondContact O-N 3.48Å; K252-Q256 PolarHBondContact O-N 2.88Å |
| 253 | N | 84.5 | Confident | 84.4 | Confident | 52 Ų | 52 | 72.6 Ų | 72.6 | 28% | 0.278 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 175.4 | -64.8 | -31.7 | 0 | 0 | 0 | 111 | D249 S250 I251 V255 Q256 L257 | D249-N253 WeakPolarHBondContact O-CB 3.45Å; D249-N253 PolarHBondContact O-N 3.31Å; D249-N253 PolarHBondContact O-ND2 3.36Å; D249-N253 PolarHBondContact OD2-ND2 2.94Å; S250-N253 PolarHBondContact O-N 2.97Å; I251-N253 PolarHBondContact O-N 2.88Å; N253-V255 VanDerWaalsContact C-N 3.35Å; N253-V255 PolarHBondContact O-N 2.96Å; N253-Q256 PolarHBondContact O-N 3.05Å; N253-L257 VanDerWaalsContact O-CG 3.27Å; N253-L257 WeakPolarHBondContact O-CG 3.16Å; N253-L257 PolarHBondContact O-N 2.89Å |
| 254 | G | 84.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.3 | -41.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S250 I251 L257 L258 | S250-G254 PolarHBondContact O-N 3.43Å; I251-G254 PolarHBondContact O-N 3.31Å; G254-L257 PolarHBondContact O-N 3.44Å; G254-L258 WeakPolarHBondContact O-CG 3.44Å; G254-L258 PolarHBondContact O-N 3.45Å |
| 255 | V | 83.5 | Confident | 84.8 | Confident | 28 Ų | 28 | 69.7 Ų | 69.7 | 17% | 0.17 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.1 | -38 | 174.9 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | I251 K252 N253 L257 L258 S259 H278 | I251-V255 WeakPolarHBondContact O-CG2 3.26Å; I251-V255 PolarHBondContact O-N 2.56Å; K252-V255 PolarHBondContact O-N 3.48Å; N253-V255 VanDerWaalsContact C-N 3.35Å; N253-V255 PolarHBondContact O-N 2.96Å; V255-L257 VanDerWaalsContact C-N 3.34Å; V255-L257 PolarHBondContact O-N 3.2Å; V255-L258 PolarHBondContact O-N 3.39Å; V255-S259 WeakPolarHBondContact O-CB 3.34Å; V255-S259 PolarHBondContact O-N 3.22Å; V255-H278 HydrophobicContact CG2-CB 4.36Å; V255-H278 WeakPolarHBondContact CG2-ND1 3.39Å |
| 256 | Q | 87.3 | Confident | 85.1 | Confident | 131 Ų | 131 | 69.7 Ų | 69.7 | 61% | 0.612 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.2 | -38.8 | 173.6 | -171 | 176.5 | 2.9 | 0 | 0 | 111.8 | K252 N253 S259 R260 | K252-Q256 PolarHBondContact O-N 2.88Å; N253-Q256 PolarHBondContact O-N 3.05Å; Q256-S259 PolarHBondContact O-N 2.97Å; Q256-R260 PolarHBondContact O-N 3.2Å |
| 257 | L | 88.1 | Confident | 85.7 | Confident | 30 Ų | 30 | 63.1 Ų | 63.1 | 16% | 0.157 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.8 | -42 | 173.5 | -67.9 | 167.5 | 0 | 0 | 0 | 111.8 | L235 L238 A239 E242 N253 G254 V255 R260 A261 | L235-L257 HydrophobicContact CD1-CD2 3.56Å; L235-L257 WeakPolarHBondContact CD2-O 3.36Å; L235-L257 HydrophobicContact CG-CB 4.44Å; L235-L257 HydrophobicContact CG-CD2 4.24Å; L238-L257 HydrophobicContact CB-CD1 4.3Å; L238-L257 HydrophobicContact CD2-CD1 3.85Å; L238-L257 HydrophobicContact CD2-CD2 4.19Å; L238-L257 HydrophobicContact CG-CD1 3.94Å; A239-L257 HydrophobicContact CB-CB 3.82Å; A239-L257 HydrophobicContact CB-CD1 4.4Å; E242-L257 HydrophobicContact CG-CD1 4.32Å; N253-L257 VanDerWaalsContact O-CG 3.27Å; N253-L257 WeakPolarHBondContact O-CG 3.16Å; N253-L257 PolarHBondContact O-N 2.89Å; G254-L257 PolarHBondContact O-N 3.44Å; V255-L257 VanDerWaalsContact C-N 3.34Å; V255-L257 PolarHBondContact O-N 3.2Å; L257-R260 PolarHBondContact O-N 2.71Å; L257-A261 WeakPolarHBondContact O-CB 3.47Å; L257-A261 PolarHBondContact O-N 3.01Å |
| 258 | L | 88 | Confident | 85.7 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 174.2 | -73.6 | 171.7 | 0 | 0 | 0 | 113 | V236 A239 L243 G254 V255 A261 Y262 V271 H274 | V236-L258 HydrophobicContact CG2-CD2 4.49Å; A239-L258 HydrophobicContact CB-CD2 4.1Å; A239-L258 HydrophobicContact CB-CG 3.87Å; L243-L258 HydrophobicContact CD1-CD1 3.87Å; G254-L258 WeakPolarHBondContact O-CG 3.44Å; G254-L258 PolarHBondContact O-N 3.45Å; V255-L258 PolarHBondContact O-N 3.39Å; L258-A261 WeakPolarHBondContact O-CB 3.49Å; L258-A261 PolarHBondContact O-N 2.92Å; L258-A261 VanDerWaalsContact O-N 3.17Å; L258-Y262 WeakPolarHBondContact O-CB 3.5Å; L258-Y262 PolarHBondContact O-N 2.84Å; L258-V271 HydrophobicContact CD2-CG1 4.42Å; L258-H274 HydrophobicContact CD1-CB 3.67Å; L258-H274 HydrophobicContact CD2-CB 4.01Å |
| 259 | S | 88.3 | Confident | 86.2 | Confident | 64 Ų | 64 | 55.1 Ų | 55.1 | 45% | 0.448 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 175.4 | -180 | 0 | 0 | 0 | 0 | 110.9 | V255 Q256 A261 Y262 T263 | V255-S259 WeakPolarHBondContact O-CB 3.34Å; V255-S259 PolarHBondContact O-N 3.22Å; Q256-S259 PolarHBondContact O-N 2.97Å; S259-A261 VanDerWaalsContact C-N 3.33Å; S259-A261 PolarHBondContact O-N 2.94Å; S259-Y262 PolarHBondContact O-N 2.81Å; S259-T263 PolarHBondContact O-N 3.46Å; S259-T263 VanDerWaalsContact O-N 3.08Å; S259-T263 PolarHBondContact O-OG1 3.32Å |
| 260 | R | 89.1 | Confident | 86.5 | Confident | 105 Ų | 105 | 53.5 Ų | 53.5 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.1 | -36.1 | 172.2 | 178.6 | -177.6 | 158.1 | -170.5 | -7.7 | 112.3 | S229 L235 Q256 L257 T263 I264 | S229-R260 PolarHBondContact O-NH2 3.33Å; L235-R260 HydrophobicContact CD2-CB 3.95Å; L235-R260 HydrophobicContact CD2-CG 3.69Å; Q256-R260 PolarHBondContact O-N 3.2Å; L257-R260 PolarHBondContact O-N 2.71Å; R260-T263 WeakPolarHBondContact CA-OG1 3.39Å; R260-T263 PolarHBondContact O-N 3.45Å; R260-T263 PolarHBondContact O-OG1 3.49Å; R260-I264 HydrophobicContact CG-CD1 4.03Å; R260-I264 WeakPolarHBondContact O-CD1 3.38Å; R260-I264 VanDerWaalsContact O-CG1 3.3Å; R260-I264 WeakPolarHBondContact O-CG1 3.3Å; R260-I264 PolarHBondContact O-N 3.34Å |
| 261 | A | 89.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.2 | -46 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | V232 L235 V236 L257 L258 S259 T263 I264 D265 V271 | V232-A261 HydrophobicContact CG1-CB 4.25Å; L235-A261 HydrophobicContact CD2-CB 3.95Å; V236-A261 HydrophobicContact CG2-CB 4.07Å; L257-A261 WeakPolarHBondContact O-CB 3.47Å; L257-A261 PolarHBondContact O-N 3.01Å; L258-A261 WeakPolarHBondContact O-CB 3.49Å; L258-A261 PolarHBondContact O-N 2.92Å; L258-A261 VanDerWaalsContact O-N 3.17Å; S259-A261 VanDerWaalsContact C-N 3.33Å; S259-A261 PolarHBondContact O-N 2.94Å; A261-T263 PolarHBondContact O-N 3.38Å; A261-I264 PolarHBondContact O-N 2.92Å; A261-D265 PolarHBondContact O-N 3.23Å; A261-V271 HydrophobicContact CB-CG1 4.07Å; A261-V271 HydrophobicContact CB-CG2 3.68Å |
| 262 | Y | 90.2 | Very high | 87.5 | Confident | 91 Ų | 91 | 50.2 Ų | 50.2 | 36% | 0.357 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 178.1 | -178.3 | -107.8 | 0 | 0 | 0 | 112.9 | L258 S259 I264 D265 P266 L272 L275 L291 | L258-Y262 WeakPolarHBondContact O-CB 3.5Å; L258-Y262 PolarHBondContact O-N 2.84Å; S259-Y262 PolarHBondContact O-N 2.81Å; Y262-I264 PolarHBondContact O-N 2.94Å; Y262-D265 CarbonylContact O-C 3.18Å; Y262-P266 HydrophobicContact CD2-CB 3.98Å; Y262-P266 HydrophobicContact CE2-CB 3.6Å; Y262-L272 HydrophobicContact CD2-CD2 4.13Å; Y262-L272 HydrophobicContact CE2-CD2 3.8Å; Y262-L275 HydrophobicContact CD2-CD2 4.49Å; Y262-L275 HydrophobicContact CG-CD2 4.35Å; Y262-L291 HydrophobicContact CE2-CD2 4.45Å |
| 263 | T | 90.3 | Very high | 87.8 | Confident | 108 Ų | 108 | 44 Ų | 44 | 66% | 0.663 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -71.2 | -14.7 | 174.1 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | S259 R260 A261 | S259-T263 PolarHBondContact O-N 3.46Å; S259-T263 VanDerWaalsContact O-N 3.08Å; S259-T263 PolarHBondContact O-OG1 3.32Å; R260-T263 WeakPolarHBondContact CA-OG1 3.39Å; R260-T263 PolarHBondContact O-N 3.45Å; R260-T263 PolarHBondContact O-OG1 3.49Å; A261-T263 PolarHBondContact O-N 3.38Å |
| 264 | I | 89 | Confident | 88 | Confident | 51 Ų | 51 | 42.9 Ų | 42.9 | 26% | 0.262 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -95.9 | -38.3 | 176.1 | -64.4 | 164.1 | 0 | 0 | 0 | 110.8 | K230 V232 L235 R260 A261 Y262 | K230-I264 HydrophobicContact CG-CG2 3.55Å; V232-I264 HydrophobicContact CG2-CB 4.01Å; V232-I264 HydrophobicContact CG2-CG2 3.48Å; V232-I264 VanDerWaalsContact CG2-CG2 3.48Å; L235-I264 HydrophobicContact CD2-CD1 4.29Å; R260-I264 HydrophobicContact CG-CD1 4.03Å; R260-I264 WeakPolarHBondContact O-CD1 3.38Å; R260-I264 VanDerWaalsContact O-CG1 3.3Å; R260-I264 WeakPolarHBondContact O-CG1 3.3Å; R260-I264 PolarHBondContact O-N 3.34Å; A261-I264 PolarHBondContact O-N 2.92Å; Y262-I264 PolarHBondContact O-N 2.94Å |
| 265 | D | 86.1 | Confident | 88.2 | Confident | 49 Ų | 49 | 43.6 Ų | 43.6 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | trans | -146.4 | 95.1 | 178.7 | 176.9 | 6.8 | 0 | 0 | 0 | 110.3 | V232 A261 Y262 S267 N268 | V232-D265 HydrophobicContact CG1-CB 4.32Å; V232-D265 HydrophobicContact CG2-CB 3.79Å; A261-D265 PolarHBondContact O-N 3.23Å; Y262-D265 CarbonylContact O-C 3.18Å; D265-S267 VanDerWaalsContact C-N 3.26Å; D265-S267 PolarHBondContact O-N 3.39Å; D265-S267 WeakPolarHBondContact OD1-CA 3.49Å; D265-S267 WeakPolarHBondContact OD1-CB 3.45Å; D265-S267 PolarHBondContact OD1-N 3.41Å; D265-N268 HydrophobicContact CB-CB 4.33Å; D265-N268 PolarHBondContact OD1-N 3.33Å; D265-N268 VanDerWaalsContact OD2-CB 3.31Å; D265-N268 WeakPolarHBondContact OD2-CB 3.31Å; D265-N268 PolarHBondContact OD2-ND2 3.3Å | ||
| 266 | P | 87.6 | Confident | 88.6 | Confident | 65 Ų | 65 | 42.2 Ų | 42.2 | 42% | 0.422 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -5.2 | 177.3 | 32.5 | -35.7 | 0 | 0 | 0 | 113.4 | Y262 H294 | Y262-P266 HydrophobicContact CD2-CB 3.98Å; Y262-P266 HydrophobicContact CE2-CB 3.6Å; P266-H294 PolarHBondContact O-CE1 3.17Å |
| 267 | S | 86.6 | Confident | 88.6 | Confident | 41 Ų | 41 | 38.2 Ų | 38.2 | 29% | 0.287 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -3.9 | 176.5 | -168.9 | 0 | 0 | 0 | 0 | 112.5 | K101 D265 P269 N298 | K101-S267 PolarHBondContact NZ-OG 3.11Å; D265-S267 VanDerWaalsContact C-N 3.26Å; D265-S267 PolarHBondContact O-N 3.39Å; D265-S267 WeakPolarHBondContact OD1-CA 3.49Å; D265-S267 WeakPolarHBondContact OD1-CB 3.45Å; D265-S267 PolarHBondContact OD1-N 3.41Å; S267-P269 WeakPolarHBondContact O-CD 3.39Å; S267-N298 PolarHBondContact OG-OD1 3.36Å |
| 268 | N | 87 | Confident | 88.5 | Confident | 37 Ų | 37 | 39.5 Ų | 39.5 | 20% | 0.198 | 21% | 0.209 | C | C | . | . | trans | -76 | 112.3 | -170.4 | -155 | -75.1 | 0 | 0 | 0 | 112.9 | D265 M270 V271 L272 | D265-N268 HydrophobicContact CB-CB 4.33Å; D265-N268 PolarHBondContact OD1-N 3.33Å; D265-N268 VanDerWaalsContact OD2-CB 3.31Å; D265-N268 WeakPolarHBondContact OD2-CB 3.31Å; D265-N268 PolarHBondContact OD2-ND2 3.3Å; N268-M270 VanDerWaalsContact C-N 3.27Å; N268-M270 PolarHBondContact O-N 3.21Å; N268-M270 PolarHBondContact OD1-N 3.2Å; N268-V271 HydrophobicContact CB-CB 3.99Å; N268-V271 HydrophobicContact CB-CG2 3.64Å; N268-V271 PolarHBondContact O-N 2.97Å; N268-L272 VanDerWaalsContact O-CG 3.22Å; N268-L272 WeakPolarHBondContact O-CG 3.48Å; N268-L272 PolarHBondContact O-N 3.12Å | ||
| 269 | P | 86.6 | Confident | 88.6 | Confident | 18 Ų | 18 | 41.2 Ų | 41.2 | 12% | 0.117 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -33.5 | -175.9 | 26.4 | -37 | 0 | 0 | 0 | 113.1 | S267 L272 N273 A295 T299 M304 | S267-P269 WeakPolarHBondContact O-CD 3.39Å; P269-L272 PolarHBondContact O-N 3.02Å; P269-N273 WeakPolarHBondContact O-CB 3.28Å; P269-N273 PolarHBondContact O-N 3.43Å; P269-A295 HydrophobicContact CB-CB 4.3Å; P269-T299 HydrophobicContact CB-CG2 4.12Å; P269-M304 HydrophobicContact CB-SD 4.17Å; P269-M304 HydrophobicContact CG-SD 3.66Å |
| 270 | M | 86.6 | Confident | 88.7 | Confident | 54 Ų | 54 | 39.4 Ų | 39.4 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -70.8 | -38.2 | -180 | -162.8 | 69.8 | 169.1 | 0 | 0 | 112.1 | V236 N268 H274 M304 | V236-M270 HydrophobicContact CG1-CB 4.38Å; V236-M270 HydrophobicContact CG1-CG 3.7Å; N268-M270 VanDerWaalsContact C-N 3.27Å; N268-M270 PolarHBondContact O-N 3.21Å; N268-M270 PolarHBondContact OD1-N 3.2Å; M270-H274 WeakPolarHBondContact CE-NE2 3.35Å; M270-H274 PolarHBondContact O-CD2 2.91Å; M270-H274 VanDerWaalsContact O-CD2 3.3Å; M270-H274 PolarHBondContact O-N 3.15Å; M270-M304 HydrophobicContact CB-CE 4.25Å; M270-M304 HydrophobicContact SD-CE 4Å |
| 271 | V | 89.9 | Confident | 88.6 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.2 | -48.9 | 172.8 | -179.6 | 0 | 0 | 0 | 0 | 109.8 | V232 V236 L258 A261 N268 N273 H274 L275 | V232-V271 HydrophobicContact CG1-CG2 4.05Å; V236-V271 HydrophobicContact CG2-CG2 3.45Å; V236-V271 VanDerWaalsContact CG2-CG2 3.45Å; L258-V271 HydrophobicContact CD2-CG1 4.42Å; A261-V271 HydrophobicContact CB-CG1 4.07Å; A261-V271 HydrophobicContact CB-CG2 3.68Å; N268-V271 HydrophobicContact CB-CB 3.99Å; N268-V271 HydrophobicContact CB-CG2 3.64Å; N268-V271 PolarHBondContact O-N 2.97Å; V271-N273 PolarHBondContact O-N 3.36Å; V271-H274 PolarHBondContact O-N 3.34Å; V271-L275 VanDerWaalsContact O-CB 3.22Å; V271-L275 WeakPolarHBondContact O-CB 3.28Å; V271-L275 PolarHBondContact O-N 3.1Å |
| 272 | L | 90.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.1 | -45.8 | -177.2 | -67.8 | 167.3 | 0 | 0 | 0 | 111.7 | Y262 N268 P269 L275 A276 L291 H294 A295 | Y262-L272 HydrophobicContact CD2-CD2 4.13Å; Y262-L272 HydrophobicContact CE2-CD2 3.8Å; N268-L272 VanDerWaalsContact O-CG 3.22Å; N268-L272 WeakPolarHBondContact O-CG 3.48Å; N268-L272 PolarHBondContact O-N 3.12Å; P269-L272 PolarHBondContact O-N 3.02Å; L272-L275 PolarHBondContact O-N 3.46Å; L272-A276 VanDerWaalsContact O-CB 3.24Å; L272-A276 WeakPolarHBondContact O-CB 3.28Å; L272-A276 PolarHBondContact O-N 3.35Å; L272-L291 HydrophobicContact CD2-CB 4.4Å; L272-L291 HydrophobicContact CD2-CD2 3.54Å; L272-H294 HydrophobicContact CD1-CB 4.32Å; L272-H294 WeakPolarHBondContact CD1-ND1 3.43Å; L272-A295 HydrophobicContact CB-CB 3.72Å; L272-A295 HydrophobicContact CD1-CB 4.2Å |
| 273 | N | 90.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 179.4 | -80.5 | -12.5 | 0 | 0 | 0 | 113.6 | P269 V271 N277 A295 M304 S308 | P269-N273 WeakPolarHBondContact O-CB 3.28Å; P269-N273 PolarHBondContact O-N 3.43Å; V271-N273 PolarHBondContact O-N 3.36Å; N273-N277 WeakPolarHBondContact O-CB 3.25Å; N273-N277 PolarHBondContact O-N 3.33Å; N273-A295 WeakPolarHBondContact OD1-CB 3.49Å; N273-M304 PolarHBondContact ND2-O 3.06Å; N273-S308 PolarHBondContact ND2-N 2.8Å; N273-S308 PolarHBondContact ND2-OG 3.11Å; N273-S308 PolarHBondContact OD1-OG 3.1Å |
| 274 | H | 88.4 | Confident | 88.7 | Confident | 28 Ų | 28 | 46.9 Ų | 46.9 | 13% | 0.13 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.4 | -35.5 | 175.1 | -66.3 | -26.4 | 0 | 0 | 0 | 112.5 | V240 L258 M270 V271 N277 H278 | V240-H274 VanDerWaalsContact CG2-CD2 3.49Å; V240-H274 WeakPolarHBondContact CG2-CD2 3.23Å; V240-H274 WeakPolarHBondContact CG2-NE2 3.27Å; L258-H274 HydrophobicContact CD1-CB 3.67Å; L258-H274 HydrophobicContact CD2-CB 4.01Å; M270-H274 WeakPolarHBondContact CE-NE2 3.35Å; M270-H274 PolarHBondContact O-CD2 2.91Å; M270-H274 VanDerWaalsContact O-CD2 3.3Å; M270-H274 PolarHBondContact O-N 3.15Å; V271-H274 PolarHBondContact O-N 3.34Å; H274-N277 PolarHBondContact O-N 3.38Å; H274-H278 PolarHBondContact O-N 2.94Å |
| 275 | L | 88.6 | Confident | 88.9 | Confident | 14 Ų | 14 | 46.9 Ų | 46.9 | 7% | 0.073 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.4 | -38.8 | 174.3 | -172.8 | 62.1 | 0 | 0 | 0 | 111.6 | Y262 V271 L272 H278 F279 L291 | Y262-L275 HydrophobicContact CD2-CD2 4.49Å; Y262-L275 HydrophobicContact CG-CD2 4.35Å; V271-L275 VanDerWaalsContact O-CB 3.22Å; V271-L275 WeakPolarHBondContact O-CB 3.28Å; V271-L275 PolarHBondContact O-N 3.1Å; L272-L275 PolarHBondContact O-N 3.46Å; L275-H278 PolarHBondContact O-N 2.94Å; L275-F279 HydrophobicContact CD1-CD2 4.19Å; L275-F279 HydrophobicContact CD1-CE2 3.68Å; L275-F279 HydrophobicContact CD1-CZ 4.21Å; L275-F279 HydrophobicContact CD2-CE2 4.07Å; L275-F279 HydrophobicContact CG-CD2 3.91Å; L275-F279 HydrophobicContact CG-CE2 3.58Å; L275-F279 VanDerWaalsContact O-CD2 3.27Å; L275-F279 WeakPolarHBondContact O-CD2 3.2Å; L275-F279 PolarHBondContact O-N 2.8Å; L275-L291 HydrophobicContact CB-CD1 4.42Å; L275-L291 HydrophobicContact CD2-CD1 3.99Å; L275-L291 HydrophobicContact CD2-CD2 4.49Å; L275-L291 HydrophobicContact CG-CD1 3.95Å |
| 276 | A | 91.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L272 H278 F279 F280 V288 L291 A292 | L272-A276 VanDerWaalsContact O-CB 3.24Å; L272-A276 WeakPolarHBondContact O-CB 3.28Å; L272-A276 PolarHBondContact O-N 3.35Å; A276-H278 VanDerWaalsContact C-N 3.3Å; A276-H278 PolarHBondContact O-N 2.8Å; A276-F279 PolarHBondContact O-N 2.64Å; A276-F280 PolarHBondContact O-N 2.91Å; A276-V288 HydrophobicContact CB-CG1 4.08Å; A276-V288 WeakPolarHBondContact O-CG2 3.32Å; A276-L291 HydrophobicContact CB-CB 4.16Å; A276-A292 HydrophobicContact CB-CB 4.49Å |
| 277 | N | 88.3 | Confident | 89.4 | Confident | 47 Ų | 47 | 50.2 Ų | 50.2 | 25% | 0.251 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.3 | -37.7 | 174.6 | -172.4 | 45.8 | 0 | 0 | 0 | 112.3 | N273 H274 F280 F281 R314 | N273-N277 WeakPolarHBondContact O-CB 3.25Å; N273-N277 PolarHBondContact O-N 3.33Å; H274-N277 PolarHBondContact O-N 3.38Å; N277-F280 WeakPolarHBondContact O-CB 3.36Å; N277-F280 PolarHBondContact O-N 2.93Å; N277-F281 WeakPolarHBondContact O-CD2 3.29Å; N277-F281 PolarHBondContact O-N 3.45Å; N277-R314 PolarHBondContact OD1-NH1 3.16Å |
| 278 | H | 86.7 | Confident | 89.8 | Confident | 56 Ų | 56 | 48.2 Ų | 48.2 | 26% | 0.259 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.9 | -47.6 | 173 | 174.1 | 63.6 | 0 | 0 | 0 | 112.3 | V255 H274 L275 A276 F280 F281 K282 | V255-H278 HydrophobicContact CG2-CB 4.36Å; V255-H278 WeakPolarHBondContact CG2-ND1 3.39Å; H274-H278 PolarHBondContact O-N 2.94Å; L275-H278 PolarHBondContact O-N 2.94Å; A276-H278 VanDerWaalsContact C-N 3.3Å; A276-H278 PolarHBondContact O-N 2.8Å; H278-F280 PolarHBondContact O-N 3.32Å; H278-F281 PolarHBondContact O-N 2.94Å; H278-K282 PolarHBondContact O-N 3.07Å; H278-K282 VanDerWaalsContact O-N 3.09Å |
| 279 | F | 89.6 | Confident | 90.1 | Very high | 37 Ų | 37 | 48.2 Ų | 48.2 | 16% | 0.162 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.6 | -27.6 | 177.7 | -76.6 | -51.9 | 0 | 0 | 0 | 113.2 | L275 A276 K282 K283 D284 K287 V288 L291 | L275-F279 HydrophobicContact CD1-CD2 4.19Å; L275-F279 HydrophobicContact CD1-CE2 3.68Å; L275-F279 HydrophobicContact CD1-CZ 4.21Å; L275-F279 HydrophobicContact CD2-CE2 4.07Å; L275-F279 HydrophobicContact CG-CD2 3.91Å; L275-F279 HydrophobicContact CG-CE2 3.58Å; L275-F279 VanDerWaalsContact O-CD2 3.27Å; L275-F279 WeakPolarHBondContact O-CD2 3.2Å; L275-F279 PolarHBondContact O-N 2.8Å; A276-F279 PolarHBondContact O-N 2.64Å; F279-K282 HydrophobicContact CD1-CD 3.99Å; F279-K282 HydrophobicContact CE1-CD 4.25Å; F279-K282 CarbonylContact O-C 3.28Å; F279-K282 WeakPolarHBondContact O-CA 3.29Å; F279-K282 WeakPolarHBondContact O-CB 3.24Å; F279-K282 PolarHBondContact O-N 2.98Å; F279-K283 PolarHBondContact O-N 3.25Å; F279-D284 HydrophobicContact CB-CB 4.18Å; F279-D284 HydrophobicContact CD1-CB 4.03Å; F279-D284 HydrophobicContact CG-CB 4.42Å; F279-D284 PolarHBondContact O-N 3.11Å; F279-K287 HydrophobicContact CD2-CB 4.07Å; F279-K287 HydrophobicContact CE1-CD 4.37Å; F279-K287 HydrophobicContact CE2-CD 4.23Å; F279-K287 HydrophobicContact CG-CB 4.28Å; F279-K287 HydrophobicContact CZ-CD 4.18Å; F279-V288 HydrophobicContact CB-CG2 3.91Å; F279-L291 HydrophobicContact CD2-CD1 3.6Å; F279-L291 HydrophobicContact CE2-CD1 3.82Å |
| 280 | F | 90.9 | Very high | 90.4 | Very high | 26 Ų | 26 | 53.7 Ų | 53.7 | 11% | 0.114 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 171.1 | -179.9 | -85.7 | 0 | 0 | 0 | 111.7 | A276 N277 H278 K282 K283 Y285 V288 R314 V318 | A276-F280 PolarHBondContact O-N 2.91Å; N277-F280 WeakPolarHBondContact O-CB 3.36Å; N277-F280 PolarHBondContact O-N 2.93Å; H278-F280 PolarHBondContact O-N 3.32Å; F280-K282 PolarHBondContact O-N 2.95Å; F280-K283 WeakPolarHBondContact O-CA 3.26Å; F280-K283 PolarHBondContact O-N 2.88Å; F280-Y285 HydrophobicContact CD2-CD1 4.09Å; F280-Y285 AromaticContact CD2-CE1 3.92Å; F280-Y285 HydrophobicContact CD2-CE1 3.92Å; F280-Y285 HydrophobicContact CE2-CD1 4.41Å; F280-Y285 AromaticContact CE2-CE1 3.99Å; F280-Y285 HydrophobicContact CE2-CE1 3.99Å; F280-V288 HydrophobicContact CB-CG1 4.46Å; F280-V288 HydrophobicContact CB-CG2 3.96Å; F280-V288 VanDerWaalsContact N-CG2 3.32Å; F280-R314 VanDerWaalsContact CD1-NH2 3.3Å; F280-R314 HydrophobicContact CD2-CB 4.25Å; F280-R314 HydrophobicContact CE2-CB 3.75Å; F280-R314 HydrophobicContact CZ-CB 4.23Å; F280-V318 HydrophobicContact CE2-CG1 4.07Å; F280-V318 HydrophobicContact CE2-CG2 3.8Å; F280-V318 HydrophobicContact CZ-CG1 3.79Å; F280-V318 HydrophobicContact CZ-CG2 4.29Å |
| 281 | F | 85.9 | Confident | 90.7 | Very high | 140 Ų | 140 | 51.8 Ų | 51.8 | 61% | 0.614 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -66.3 | -27.1 | 174.3 | -68.8 | -67.3 | 0 | 0 | 0 | 112.8 | N277 H278 K283 | N277-F281 WeakPolarHBondContact O-CD2 3.29Å; N277-F281 PolarHBondContact O-N 3.45Å; H278-F281 PolarHBondContact O-N 2.94Å; F281-K283 PolarHBondContact O-N 3.32Å |
| 282 | K | 88.6 | Confident | 90.9 | Very high | 133 Ų | 133 | 51.8 Ų | 51.8 | 58% | 0.578 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -4.1 | 170.8 | -153 | -162.4 | 172 | -165.8 | 0 | 113.7 | H278 F279 F280 D284 | H278-K282 PolarHBondContact O-N 3.07Å; H278-K282 VanDerWaalsContact O-N 3.09Å; F279-K282 HydrophobicContact CD1-CD 3.99Å; F279-K282 HydrophobicContact CE1-CD 4.25Å; F279-K282 CarbonylContact O-C 3.28Å; F279-K282 WeakPolarHBondContact O-CA 3.29Å; F279-K282 WeakPolarHBondContact O-CB 3.24Å; F279-K282 PolarHBondContact O-N 2.98Å; F280-K282 PolarHBondContact O-N 2.95Å; K282-D284 PolarHBondContact O-N 3.01Å |
| 283 | K | 90.8 | Very high | 90.9 | Very high | 153 Ų | 153 | 54.9 Ų | 54.9 | 67% | 0.665 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 24 | -173.2 | -49.4 | -166.7 | 178.3 | -171.2 | 0 | 115.3 | F279 F280 F281 Y285 | F279-K283 PolarHBondContact O-N 3.25Å; F280-K283 WeakPolarHBondContact O-CA 3.26Å; F280-K283 PolarHBondContact O-N 2.88Å; F281-K283 PolarHBondContact O-N 3.32Å; K283-Y285 VanDerWaalsContact C-N 3.29Å; K283-Y285 HydrophobicContact CB-CE1 4.43Å; K283-Y285 HydrophobicContact CB-CE2 3.86Å; K283-Y285 WeakPolarHBondContact CG-OH 3.45Å; K283-Y285 WeakPolarHBondContact O-CD2 3.3Å; K283-Y285 PolarHBondContact O-N 3.47Å |
| 284 | D | 93.5 | Very high | 90.8 | Very high | 35 Ų | 35 | 58.4 Ų | 58.4 | 19% | 0.187 | 28% | 0.277 | C | S | . | . | trans | -91.5 | 58.4 | -180 | -163.8 | -23.5 | 0 | 0 | 0 | 110.2 | F279 K282 S286 K287 V288 | F279-D284 HydrophobicContact CB-CB 4.18Å; F279-D284 HydrophobicContact CD1-CB 4.03Å; F279-D284 HydrophobicContact CG-CB 4.42Å; F279-D284 PolarHBondContact O-N 3.11Å; K282-D284 PolarHBondContact O-N 3.01Å; D284-S286 VanDerWaalsContact C-N 3.32Å; D284-S286 PolarHBondContact O-N 3.35Å; D284-K287 PolarHBondContact O-N 3.25Å; D284-K287 WeakPolarHBondContact OD1-CG 3.46Å; D284-K287 IonicContact OD1-NZ 2.87Å; D284-K287 PolarHBondContact OD1-NZ 2.91Å; D284-K287 IonicContact OD2-NZ 3.96Å; D284-K287 PolarHBondContact OD2-NZ 3.19Å; D284-V288 PolarHBondContact O-N 3.17Å | ||
| 285 | Y | 93.3 | Very high | 90.9 | Very high | 51 Ų | 51 | 57.1 Ų | 57.1 | 20% | 0.2 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.8 | -33 | -163.4 | -55.2 | -61.2 | 0 | 0 | 0 | 114.6 | F280 K283 K287 V288 Q289 V318 Q319 | F280-Y285 HydrophobicContact CD2-CD1 4.09Å; F280-Y285 AromaticContact CD2-CE1 3.92Å; F280-Y285 HydrophobicContact CD2-CE1 3.92Å; F280-Y285 HydrophobicContact CE2-CD1 4.41Å; F280-Y285 AromaticContact CE2-CE1 3.99Å; F280-Y285 HydrophobicContact CE2-CE1 3.99Å; K283-Y285 VanDerWaalsContact C-N 3.29Å; K283-Y285 HydrophobicContact CB-CE1 4.43Å; K283-Y285 HydrophobicContact CB-CE2 3.86Å; K283-Y285 WeakPolarHBondContact CG-OH 3.45Å; K283-Y285 WeakPolarHBondContact O-CD2 3.3Å; K283-Y285 PolarHBondContact O-N 3.47Å; Y285-K287 VanDerWaalsContact C-N 3.29Å; Y285-K287 PolarHBondContact O-N 3.43Å; Y285-V288 WeakPolarHBondContact O-CA 3.11Å; Y285-V288 VanDerWaalsContact O-CB 3.29Å; Y285-V288 WeakPolarHBondContact O-CB 3.28Å; Y285-V288 PolarHBondContact O-N 3.42Å; Y285-Q289 WeakPolarHBondContact O-CG 3.34Å; Y285-Q289 PolarHBondContact O-N 2.92Å; Y285-V318 HydrophobicContact CD1-CG2 3.94Å; Y285-V318 HydrophobicContact CE1-CG2 3.48Å; Y285-V318 VanDerWaalsContact CE1-CG2 3.48Å; Y285-V318 HydrophobicContact CE2-CG2 4.29Å; Y285-Q319 VanDerWaalsContact CB-NE2 3.31Å |
| 286 | S | 93 | Very high | 90.9 | Very high | 87 Ų | 87 | 58.4 Ų | 58.4 | 61% | 0.608 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60 | -38 | 175.4 | 175.6 | 0 | 0 | 0 | 0 | 112.1 | D284 H290 | D284-S286 VanDerWaalsContact C-N 3.32Å; D284-S286 PolarHBondContact O-N 3.35Å; S286-H290 PolarHBondContact O-N 3.15Å |
| 287 | K | 91.8 | Very high | 90.7 | Very high | 96 Ų | 96 | 65 Ų | 65 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -72.2 | -34.4 | 173 | -68.2 | -174.3 | -164.2 | 70.8 | 0 | 112.3 | F279 D284 Y285 Q289 L291 | F279-K287 HydrophobicContact CD2-CB 4.07Å; F279-K287 HydrophobicContact CE1-CD 4.37Å; F279-K287 HydrophobicContact CE2-CD 4.23Å; F279-K287 HydrophobicContact CG-CB 4.28Å; F279-K287 HydrophobicContact CZ-CD 4.18Å; D284-K287 PolarHBondContact O-N 3.25Å; D284-K287 WeakPolarHBondContact OD1-CG 3.46Å; D284-K287 IonicContact OD1-NZ 2.87Å; D284-K287 PolarHBondContact OD1-NZ 2.91Å; D284-K287 IonicContact OD2-NZ 3.96Å; D284-K287 PolarHBondContact OD2-NZ 3.19Å; Y285-K287 VanDerWaalsContact C-N 3.29Å; Y285-K287 PolarHBondContact O-N 3.43Å; K287-Q289 VanDerWaalsContact C-N 3.32Å; K287-Q289 PolarHBondContact O-N 3.34Å; K287-L291 HydrophobicContact CB-CD1 4.38Å; K287-L291 WeakPolarHBondContact O-CB 3.5Å; K287-L291 WeakPolarHBondContact O-CD1 3.41Å; K287-L291 WeakPolarHBondContact O-CG 3.12Å; K287-L291 PolarHBondContact O-N 2.99Å |
| 288 | V | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.8 | -49.8 | 173 | -173.6 | 0 | 0 | 0 | 0 | 109.8 | A276 F279 F280 D284 Y285 A292 Q311 | A276-V288 HydrophobicContact CB-CG1 4.08Å; A276-V288 WeakPolarHBondContact O-CG2 3.32Å; F279-V288 HydrophobicContact CB-CG2 3.91Å; F280-V288 HydrophobicContact CB-CG1 4.46Å; F280-V288 HydrophobicContact CB-CG2 3.96Å; F280-V288 VanDerWaalsContact N-CG2 3.32Å; D284-V288 PolarHBondContact O-N 3.17Å; Y285-V288 WeakPolarHBondContact O-CA 3.11Å; Y285-V288 VanDerWaalsContact O-CB 3.29Å; Y285-V288 WeakPolarHBondContact O-CB 3.28Å; Y285-V288 PolarHBondContact O-N 3.42Å; V288-A292 WeakPolarHBondContact O-CB 3.44Å; V288-A292 PolarHBondContact O-N 3.16Å; V288-Q311 HydrophobicContact CG1-CB 4.29Å |
| 289 | Q | 93.6 | Very high | 90.2 | Very high | 36 Ų | 36 | 62.2 Ų | 62.2 | 17% | 0.168 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -51.9 | -179.2 | -71.7 | 161.1 | -21.7 | 0 | 0 | 111.8 | Y285 K287 L291 A292 L293 L312 S315 F316 | Y285-Q289 WeakPolarHBondContact O-CG 3.34Å; Y285-Q289 PolarHBondContact O-N 2.92Å; K287-Q289 VanDerWaalsContact C-N 3.32Å; K287-Q289 PolarHBondContact O-N 3.34Å; Q289-L291 PolarHBondContact O-N 3.41Å; Q289-A292 PolarHBondContact O-N 2.85Å; Q289-L293 WeakPolarHBondContact O-CB 3.25Å; Q289-L293 WeakPolarHBondContact O-CG 3.44Å; Q289-L293 PolarHBondContact O-N 3.29Å; Q289-L312 HydrophobicContact CB-CD2 4.29Å; Q289-L312 HydrophobicContact CG-CD2 4.3Å; Q289-S315 WeakPolarHBondContact CG-OG 3.37Å; Q289-S315 PolarHBondContact NE2-OG 3.4Å; Q289-F316 HydrophobicContact CG-CZ 4.31Å; Q289-F316 VanDerWaalsContact NE2-CE1 3.28Å |
| 290 | H | 92.8 | Very high | 89.6 | Confident | 134 Ų | 134 | 64.4 Ų | 64.4 | 62% | 0.62 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61.4 | -44.2 | 179.1 | -174.3 | -70.8 | 0 | 0 | 0 | 112.8 | S286 H294 | S286-H290 PolarHBondContact O-N 3.15Å; H290-H294 WeakPolarHBondContact O-CB 3.37Å; H290-H294 PolarHBondContact O-N 3.29Å; H290-H294 VanDerWaalsContact O-N 3.09Å |
| 291 | L | 92.5 | Very high | 89.2 | Confident | 14 Ų | 14 | 66.9 Ų | 66.9 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.2 | -38.7 | -179.2 | -66.2 | 168.4 | 0 | 0 | 0 | 111.9 | Y262 L272 L275 A276 F279 K287 Q289 H294 A295 | Y262-L291 HydrophobicContact CE2-CD2 4.45Å; L272-L291 HydrophobicContact CD2-CB 4.4Å; L272-L291 HydrophobicContact CD2-CD2 3.54Å; L275-L291 HydrophobicContact CB-CD1 4.42Å; L275-L291 HydrophobicContact CD2-CD1 3.99Å; L275-L291 HydrophobicContact CD2-CD2 4.49Å; L275-L291 HydrophobicContact CG-CD1 3.95Å; A276-L291 HydrophobicContact CB-CB 4.16Å; F279-L291 HydrophobicContact CD2-CD1 3.6Å; F279-L291 HydrophobicContact CE2-CD1 3.82Å; K287-L291 HydrophobicContact CB-CD1 4.38Å; K287-L291 WeakPolarHBondContact O-CB 3.5Å; K287-L291 WeakPolarHBondContact O-CD1 3.41Å; K287-L291 WeakPolarHBondContact O-CG 3.12Å; K287-L291 PolarHBondContact O-N 2.99Å; Q289-L291 PolarHBondContact O-N 3.41Å; L291-H294 PolarHBondContact O-N 3.44Å; L291-A295 WeakPolarHBondContact O-CB 3.37Å; L291-A295 PolarHBondContact O-N 2.91Å |
| 292 | A | 93.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -74.2 | -36.3 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | A276 V288 Q289 A295 F296 Q311 L312 | A276-A292 HydrophobicContact CB-CB 4.49Å; V288-A292 WeakPolarHBondContact O-CB 3.44Å; V288-A292 PolarHBondContact O-N 3.16Å; Q289-A292 PolarHBondContact O-N 2.85Å; A292-A295 WeakPolarHBondContact O-CB 3.38Å; A292-A295 PolarHBondContact O-N 3.32Å; A292-F296 WeakPolarHBondContact O-CB 3.3Å; A292-F296 PolarHBondContact O-N 3.35Å; A292-Q311 HydrophobicContact CB-CB 4.21Å; A292-L312 HydrophobicContact CB-CD1 4.4Å; A292-L312 HydrophobicContact CB-CD2 4.01Å; A292-L312 HydrophobicContact CB-CG 3.77Å |
| 293 | L | 90.9 | Very high | 89 | Confident | 64 Ų | 64 | 62 Ų | 62 | 34% | 0.335 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 168.6 | -75 | 169.6 | 0 | 0 | 0 | 111 | Q289 A295 F296 H297 L312 | Q289-L293 WeakPolarHBondContact O-CB 3.25Å; Q289-L293 WeakPolarHBondContact O-CG 3.44Å; Q289-L293 PolarHBondContact O-N 3.29Å; L293-A295 VanDerWaalsContact C-N 3.29Å; L293-A295 PolarHBondContact O-N 3.12Å; L293-F296 PolarHBondContact O-N 2.86Å; L293-H297 PolarHBondContact O-CD2 3.04Å; L293-H297 PolarHBondContact O-N 2.93Å; L293-H297 VanDerWaalsContact O-N 3.08Å; L293-L312 HydrophobicContact CD2-CD1 3.84Å; L293-L312 HydrophobicContact CD2-CD2 4.36Å; L293-L312 HydrophobicContact CG-CD1 4.17Å; L293-L312 HydrophobicContact CG-CD2 3.94Å |
| 294 | H | 89.9 | Confident | 88.8 | Confident | 76 Ų | 76 | 57 Ų | 57 | 35% | 0.352 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65 | -32.2 | 175.6 | -165.3 | -114.5 | 0 | 0 | 0 | 112.1 | P266 L272 H290 L291 N298 | P266-H294 PolarHBondContact O-CE1 3.17Å; L272-H294 HydrophobicContact CD1-CB 4.32Å; L272-H294 WeakPolarHBondContact CD1-ND1 3.43Å; H290-H294 WeakPolarHBondContact O-CB 3.37Å; H290-H294 PolarHBondContact O-N 3.29Å; H290-H294 VanDerWaalsContact O-N 3.09Å; L291-H294 PolarHBondContact O-N 3.44Å; H294-N298 PolarHBondContact CD2-ND2 3.14Å; H294-N298 VanDerWaalsContact CD2-ND2 3.32Å; H294-N298 PolarHBondContact CE1-ND2 3Å; H294-N298 PolarHBondContact ND1-ND2 3.31Å; H294-N298 PolarHBondContact NE2-ND2 3.41Å; H294-N298 VanDerWaalsContact O-CB 3.3Å; H294-N298 WeakPolarHBondContact O-CB 3.48Å; H294-N298 PolarHBondContact O-N 3.46Å; H294-N298 PolarHBondContact O-ND2 2.77Å |
| 295 | A | 89.8 | Confident | 88.6 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.5 | -45.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P269 L272 N273 L291 A292 L293 N298 T299 S308 | P269-A295 HydrophobicContact CB-CB 4.3Å; L272-A295 HydrophobicContact CB-CB 3.72Å; L272-A295 HydrophobicContact CD1-CB 4.2Å; N273-A295 WeakPolarHBondContact OD1-CB 3.49Å; L291-A295 WeakPolarHBondContact O-CB 3.37Å; L291-A295 PolarHBondContact O-N 2.91Å; A292-A295 WeakPolarHBondContact O-CB 3.38Å; A292-A295 PolarHBondContact O-N 3.32Å; L293-A295 VanDerWaalsContact C-N 3.29Å; L293-A295 PolarHBondContact O-N 3.12Å; A295-N298 PolarHBondContact O-N 2.74Å; A295-T299 VanDerWaalsContact O-CG2 3.3Å; A295-T299 WeakPolarHBondContact O-CG2 3.39Å; A295-T299 PolarHBondContact O-N 2.98Å; A295-S308 WeakPolarHBondContact CB-OG 3.25Å |
| 296 | F | 89.3 | Confident | 88.5 | Confident | 42 Ų | 42 | 53.9 Ų | 53.9 | 18% | 0.184 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.1 | -51.6 | -179.6 | -179.5 | -103.6 | 0 | 0 | 0 | 112.2 | A292 L293 N298 T299 Q305 S308 C309 F335 | A292-F296 WeakPolarHBondContact O-CB 3.3Å; A292-F296 PolarHBondContact O-N 3.35Å; L293-F296 PolarHBondContact O-N 2.86Å; F296-N298 VanDerWaalsContact C-N 3.26Å; F296-N298 PolarHBondContact O-N 3.27Å; F296-T299 PolarHBondContact O-N 2.82Å; F296-Q305 HydrophobicContact CD2-CB 4Å; F296-Q305 HydrophobicContact CD2-CG 4.2Å; F296-Q305 HydrophobicContact CE2-CB 3.97Å; F296-Q305 HydrophobicContact CE2-CG 4.23Å; F296-S308 PolarHBondContact N-OG 2.79Å; F296-C309 WeakPolarHBondContact CE2-SG 3.37Å; F296-F335 HydrophobicContact CE2-CE2 4.21Å |
| 297 | H | 85.4 | Confident | 88.3 | Confident | 137 Ų | 137 | 52.3 Ų | 52.3 | 63% | 0.634 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -72.4 | -14.5 | -179.4 | -65.9 | -62.8 | 0 | 0 | 0 | 114.5 | L293 | L293-H297 PolarHBondContact O-CD2 3.04Å; L293-H297 PolarHBondContact O-N 2.93Å; L293-H297 VanDerWaalsContact O-N 3.08Å |
| 298 | N | 83.1 | Confident | 88.3 | Confident | 34 Ų | 34 | 47.7 Ų | 47.7 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 6.7 | 177.8 | -76.2 | -52.5 | 0 | 0 | 0 | 113.8 | K101 S267 H294 A295 F296 | K101-N298 PolarHBondContact NZ-OD1 3Å; S267-N298 PolarHBondContact OG-OD1 3.36Å; H294-N298 PolarHBondContact CD2-ND2 3.14Å; H294-N298 VanDerWaalsContact CD2-ND2 3.32Å; H294-N298 PolarHBondContact CE1-ND2 3Å; H294-N298 PolarHBondContact ND1-ND2 3.31Å; H294-N298 PolarHBondContact NE2-ND2 3.41Å; H294-N298 VanDerWaalsContact O-CB 3.3Å; H294-N298 WeakPolarHBondContact O-CB 3.48Å; H294-N298 PolarHBondContact O-N 3.46Å; H294-N298 PolarHBondContact O-ND2 2.77Å; A295-N298 PolarHBondContact O-N 2.74Å; F296-N298 VanDerWaalsContact C-N 3.26Å; F296-N298 PolarHBondContact O-N 3.27Å |
| 299 | T | 82.4 | Confident | 88.3 | Confident | 11 Ų | 11 | 47.7 Ų | 47.7 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | trans | -135.2 | 132.5 | -178.9 | -164.8 | 0 | 0 | 0 | 0 | 113.5 | P269 A295 F296 V301 M304 Q305 | P269-T299 HydrophobicContact CB-CG2 4.12Å; A295-T299 VanDerWaalsContact O-CG2 3.3Å; A295-T299 WeakPolarHBondContact O-CG2 3.39Å; A295-T299 PolarHBondContact O-N 2.98Å; F296-T299 PolarHBondContact O-N 2.82Å; T299-V301 PolarHBondContact OG1-N 3.24Å; T299-M304 HydrophobicContact CG2-CB 3.7Å; T299-Q305 HydrophobicContact CG2-CG 3.76Å; T299-Q305 PolarHBondContact O-NE2 3.15Å | ||
| 300 | E | 76.3 | Confident | 88.4 | Confident | 83 Ų | 83 | 47.5 Ų | 47.5 | 39% | 0.388 | 24% | 0.237 | S | C | . | . | trans | -96.3 | 3 | 170 | -75.3 | -65.5 | 153.1 | 0 | 0 | 112.1 | K103 E302 | K103-E300 WeakPolarHBondContact CE-OE1 3.48Å; K103-E300 WeakPolarHBondContact CE-OE2 3.43Å; K103-E300 VanDerWaalsContact NZ-CD 3.3Å; K103-E300 IonicContact NZ-OE1 3.79Å; K103-E300 PolarHBondContact NZ-OE1 3.44Å; K103-E300 VanDerWaalsContact NZ-OE1 3.16Å; K103-E300 IonicContact NZ-OE2 2.62Å; K103-E300 PolarHBondContact NZ-OE2 3.49Å; E300-E302 PolarHBondContact O-N 3.42Å | ||
| 301 | V | 82.7 | Confident | 88.4 | Confident | 79 Ų | 79 | 41.9 Ų | 41.9 | 48% | 0.479 | 21% | 0.211 | S | C | . | . | trans | -87.7 | 107.8 | 178.6 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | T299 A303 M304 Q305 | T299-V301 PolarHBondContact OG1-N 3.24Å; V301-A303 HydrophobicContact CG1-CB 4.35Å; V301-A303 PolarHBondContact O-N 2.89Å; V301-A303 VanDerWaalsContact O-N 3.12Å; V301-M304 HydrophobicContact CB-CB 4.35Å; V301-M304 HydrophobicContact CB-CG 4.23Å; V301-M304 HydrophobicContact CB-SD 4.25Å; V301-M304 HydrophobicContact CG1-CG 4.25Å; V301-M304 WeakPolarHBondContact O-CA 3.48Å; V301-M304 WeakPolarHBondContact O-CB 3.5Å; V301-M304 PolarHBondContact O-N 2.85Å; V301-Q305 PolarHBondContact O-N 2.91Å | ||
| 302 | E | 85.9 | Confident | 88.5 | Confident | 127 Ų | 127 | 41.2 Ų | 41.2 | 59% | 0.593 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -46.2 | -44.9 | -178.8 | -59.6 | 176.3 | 142.3 | 0 | 0 | 112.9 | E300 M304 Q305 A306 F335 | E300-E302 PolarHBondContact O-N 3.42Å; E302-M304 VanDerWaalsContact C-N 3.26Å; E302-M304 PolarHBondContact O-N 2.93Å; E302-Q305 CarbonylContact O-C 3.55Å; E302-Q305 WeakPolarHBondContact O-CB 3.44Å; E302-Q305 PolarHBondContact O-N 3.47Å; E302-Q305 VanDerWaalsContact O-N 3.08Å; E302-A306 WeakPolarHBondContact O-CB 3.4Å; E302-A306 PolarHBondContact O-N 3.49Å; E302-F335 HydrophobicContact CB-CB 4.31Å |
| 303 | A | 85.4 | Confident | 88.6 | Confident | 42 Ų | 42 | 41.2 Ų | 41.2 | 35% | 0.347 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.5 | -32.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V301 E307 | V301-A303 HydrophobicContact CG1-CB 4.35Å; V301-A303 PolarHBondContact O-N 2.89Å; V301-A303 VanDerWaalsContact O-N 3.12Å; A303-E307 PolarHBondContact O-N 2.93Å |
| 304 | M | 85.3 | Confident | 88.8 | Confident | 49 Ų | 49 | 39.8 Ų | 39.8 | 24% | 0.241 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -79.9 | -36.1 | 173.7 | -65.7 | -179.8 | 174.3 | 0 | 0 | 111.5 | P269 M270 N273 T299 V301 E302 A306 E307 S308 | P269-M304 HydrophobicContact CB-SD 4.17Å; P269-M304 HydrophobicContact CG-SD 3.66Å; M270-M304 HydrophobicContact CB-CE 4.25Å; M270-M304 HydrophobicContact SD-CE 4Å; N273-M304 PolarHBondContact ND2-O 3.06Å; T299-M304 HydrophobicContact CG2-CB 3.7Å; V301-M304 HydrophobicContact CB-CB 4.35Å; V301-M304 HydrophobicContact CB-CG 4.23Å; V301-M304 HydrophobicContact CB-SD 4.25Å; V301-M304 HydrophobicContact CG1-CG 4.25Å; V301-M304 WeakPolarHBondContact O-CA 3.48Å; V301-M304 WeakPolarHBondContact O-CB 3.5Å; V301-M304 PolarHBondContact O-N 2.85Å; E302-M304 VanDerWaalsContact C-N 3.26Å; E302-M304 PolarHBondContact O-N 2.93Å; M304-A306 VanDerWaalsContact C-N 3.32Å; M304-A306 PolarHBondContact O-N 3.02Å; M304-E307 PolarHBondContact O-N 3.34Å; M304-S308 PolarHBondContact O-N 3.16Å; M304-S308 PolarHBondContact O-OG 2.87Å |
| 305 | Q | 89.3 | Confident | 89 | Confident | 20 Ų | 20 | 36.1 Ų | 36.1 | 9% | 0.093 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.6 | -44.5 | 172.3 | -64.6 | 179.8 | -21 | 0 | 0 | 110.8 | F296 T299 V301 E302 E307 S308 C309 F335 | F296-Q305 HydrophobicContact CD2-CB 4Å; F296-Q305 HydrophobicContact CD2-CG 4.2Å; F296-Q305 HydrophobicContact CE2-CB 3.97Å; F296-Q305 HydrophobicContact CE2-CG 4.23Å; T299-Q305 HydrophobicContact CG2-CG 3.76Å; T299-Q305 PolarHBondContact O-NE2 3.15Å; V301-Q305 PolarHBondContact O-N 2.91Å; E302-Q305 CarbonylContact O-C 3.55Å; E302-Q305 WeakPolarHBondContact O-CB 3.44Å; E302-Q305 PolarHBondContact O-N 3.47Å; E302-Q305 VanDerWaalsContact O-N 3.08Å; Q305-E307 PolarHBondContact O-N 3.08Å; Q305-S308 WeakPolarHBondContact O-CB 3.4Å; Q305-S308 PolarHBondContact O-N 3.12Å; Q305-C309 WeakPolarHBondContact O-CB 3.36Å; Q305-C309 PolarHBondContact O-N 3.41Å; Q305-C309 PolarHBondContact O-SG 3.04Å; Q305-C309 VanDerWaalsContact O-SG 3.32Å; Q305-F335 HydrophobicContact CB-CD2 4.12Å; Q305-F335 HydrophobicContact CB-CG 4.31Å |
| 306 | A | 91 | Very high | 89.3 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.4 | -44.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E302 M304 Y310 A332 F335 F340 | E302-A306 WeakPolarHBondContact O-CB 3.4Å; E302-A306 PolarHBondContact O-N 3.49Å; M304-A306 VanDerWaalsContact C-N 3.32Å; M304-A306 PolarHBondContact O-N 3.02Å; A306-Y310 WeakPolarHBondContact O-CB 3.48Å; A306-Y310 PolarHBondContact O-N 3.42Å; A306-A332 WeakPolarHBondContact O-CB 3.35Å; A306-F335 HydrophobicContact CB-CB 3.86Å; A306-F340 HydrophobicContact CB-CD1 4.14Å; A306-F340 HydrophobicContact CB-CE1 4.24Å |
| 307 | E | 89.5 | Confident | 89.6 | Confident | 53 Ų | 53 | 36.6 Ų | 36.6 | 25% | 0.248 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.7 | -41.3 | 174.6 | -76.4 | -175.2 | -168.2 | 0 | 0 | 112.1 | A303 M304 Q305 Y310 Q311 F340 | A303-E307 PolarHBondContact O-N 2.93Å; M304-E307 PolarHBondContact O-N 3.34Å; Q305-E307 PolarHBondContact O-N 3.08Å; E307-Y310 PolarHBondContact O-N 3.37Å; E307-Q311 WeakPolarHBondContact O-CG 3.3Å; E307-Q311 PolarHBondContact O-N 2.93Å; E307-F340 HydrophobicContact CG-CE1 4.15Å; E307-F340 HydrophobicContact CG-CE2 4.18Å; E307-F340 HydrophobicContact CG-CZ 3.87Å |
| 308 | S | 92.3 | Very high | 90 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.4 | -51.9 | 177.4 | -54.1 | 0 | 0 | 0 | 0 | 111.7 | N273 A295 F296 M304 Q305 Y310 Q311 L312 | N273-S308 PolarHBondContact ND2-N 2.8Å; N273-S308 PolarHBondContact ND2-OG 3.11Å; N273-S308 PolarHBondContact OD1-OG 3.1Å; A295-S308 WeakPolarHBondContact CB-OG 3.25Å; F296-S308 PolarHBondContact N-OG 2.79Å; M304-S308 PolarHBondContact O-N 3.16Å; M304-S308 PolarHBondContact O-OG 2.87Å; Q305-S308 WeakPolarHBondContact O-CB 3.4Å; Q305-S308 PolarHBondContact O-N 3.12Å; S308-Y310 VanDerWaalsContact C-N 3.27Å; S308-Y310 PolarHBondContact O-N 2.86Å; S308-Q311 PolarHBondContact O-N 3.28Å; S308-L312 PolarHBondContact O-N 2.74Å |
| 309 | C | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.9 | -39.6 | 174.7 | -67.3 | 0 | 0 | 0 | 0 | 111.2 | F296 Q305 L312 A313 Y328 Q331 A332 | F296-C309 WeakPolarHBondContact CE2-SG 3.37Å; Q305-C309 WeakPolarHBondContact O-CB 3.36Å; Q305-C309 PolarHBondContact O-N 3.41Å; Q305-C309 PolarHBondContact O-SG 3.04Å; Q305-C309 VanDerWaalsContact O-SG 3.32Å; C309-L312 PolarHBondContact O-N 3.42Å; C309-A313 VanDerWaalsContact O-CB 3.32Å; C309-A313 WeakPolarHBondContact O-CB 3.44Å; C309-A313 PolarHBondContact O-N 3.29Å; C309-Y328 HydrophobicContact CB-CD1 4.42Å; C309-Y328 WeakPolarHBondContact CB-O 3.28Å; C309-Q331 HydrophobicContact CB-CB 4.46Å; C309-A332 HydrophobicContact CB-CB 3.79Å |
| 310 | Y | 94.9 | Very high | 90.9 | Very high | 31 Ų | 31 | 42.4 Ų | 42.4 | 12% | 0.122 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.8 | -38.3 | 176.8 | 176.3 | -104.6 | 0 | 0 | 0 | 113.3 | A306 E307 S308 R314 Y329 F340 L342 P343 | A306-Y310 WeakPolarHBondContact O-CB 3.48Å; A306-Y310 PolarHBondContact O-N 3.42Å; E307-Y310 PolarHBondContact O-N 3.37Å; S308-Y310 VanDerWaalsContact C-N 3.27Å; S308-Y310 PolarHBondContact O-N 2.86Å; Y310-R314 VanDerWaalsContact CE1-CD 3.47Å; Y310-R314 HydrophobicContact CE1-CG 4.36Å; Y310-R314 HydrophobicContact CE2-CG 4.29Å; Y310-R314 VanDerWaalsContact O-CG 3.3Å; Y310-R314 WeakPolarHBondContact O-CG 3.5Å; Y310-R314 PolarHBondContact O-N 3.11Å; Y310-Y329 HydrophobicContact CD2-CD1 4.16Å; Y310-Y329 AromaticContact CD2-CE1 3.81Å; Y310-Y329 HydrophobicContact CD2-CE1 3.81Å; Y310-Y329 AromaticContact CE2-CE1 3.9Å; Y310-Y329 HydrophobicContact CE2-CE1 3.9Å; Y310-F340 AromaticContact CD1-CZ 3.72Å; Y310-F340 HydrophobicContact CD1-CZ 3.72Å; Y310-F340 HydrophobicContact CD2-CZ 4.46Å; Y310-F340 HydrophobicContact CE1-CZ 4.35Å; Y310-F340 HydrophobicContact CG-CE1 4.25Å; Y310-F340 AromaticContact CG-CZ 3.78Å; Y310-F340 HydrophobicContact CG-CZ 3.78Å; Y310-L342 HydrophobicContact CD2-CB 4.34Å; Y310-L342 HydrophobicContact CE1-CB 4.11Å; Y310-L342 HydrophobicContact CE1-CD1 4.03Å; Y310-L342 HydrophobicContact CE2-CB 3.59Å; Y310-L342 VanDerWaalsContact CZ-CB 3.46Å; Y310-P343 HydrophobicContact CD2-CB 4.48Å; Y310-P343 HydrophobicContact CD2-CG 4.01Å; Y310-P343 HydrophobicContact CG-CG 4.42Å |
| 311 | Q | 94.1 | Very high | 91.8 | Very high | 16 Ų | 16 | 40.8 Ų | 40.8 | 8% | 0.075 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.2 | -37.9 | 173.9 | -59.8 | -53.5 | -18 | 0 | 0 | 112.2 | V288 A292 E307 S308 S315 | V288-Q311 HydrophobicContact CG1-CB 4.29Å; A292-Q311 HydrophobicContact CB-CB 4.21Å; E307-Q311 WeakPolarHBondContact O-CG 3.3Å; E307-Q311 PolarHBondContact O-N 2.93Å; S308-Q311 PolarHBondContact O-N 3.28Å; Q311-S315 PolarHBondContact O-N 3.4Å |
| 312 | L | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.4 | -52.8 | 172.5 | -71.8 | 165.9 | 0 | 0 | 0 | 110.8 | Q289 A292 L293 S308 C309 R314 S315 F316 Y328 | Q289-L312 HydrophobicContact CB-CD2 4.29Å; Q289-L312 HydrophobicContact CG-CD2 4.3Å; A292-L312 HydrophobicContact CB-CD1 4.4Å; A292-L312 HydrophobicContact CB-CD2 4.01Å; A292-L312 HydrophobicContact CB-CG 3.77Å; L293-L312 HydrophobicContact CD2-CD1 3.84Å; L293-L312 HydrophobicContact CD2-CD2 4.36Å; L293-L312 HydrophobicContact CG-CD1 4.17Å; L293-L312 HydrophobicContact CG-CD2 3.94Å; S308-L312 PolarHBondContact O-N 2.74Å; C309-L312 PolarHBondContact O-N 3.42Å; L312-R314 VanDerWaalsContact C-N 3.31Å; L312-R314 PolarHBondContact O-N 2.97Å; L312-S315 WeakPolarHBondContact O-CA 3.48Å; L312-S315 WeakPolarHBondContact O-CB 3.49Å; L312-S315 PolarHBondContact O-N 3.24Å; L312-S315 PolarHBondContact O-OG 2.9Å; L312-F316 HydrophobicContact CB-CE2 4.24Å; L312-F316 HydrophobicContact CD2-CE2 4.31Å; L312-F316 WeakPolarHBondContact O-CD2 3.32Å; L312-F316 PolarHBondContact O-N 3.37Å; L312-Y328 HydrophobicContact CB-CD1 4.21Å; L312-Y328 HydrophobicContact CB-CD2 4.1Å; L312-Y328 HydrophobicContact CB-CE2 4.46Å; L312-Y328 HydrophobicContact CB-CG 3.97Å; L312-Y328 HydrophobicContact CD1-CD1 4.07Å; L312-Y328 HydrophobicContact CD1-CE1 3.8Å |
| 313 | A | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.1 | -43.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C309 S315 F316 H317 A325 Y329 | C309-A313 VanDerWaalsContact O-CB 3.32Å; C309-A313 WeakPolarHBondContact O-CB 3.44Å; C309-A313 PolarHBondContact O-N 3.29Å; A313-S315 VanDerWaalsContact C-N 3.34Å; A313-S315 PolarHBondContact O-N 3.4Å; A313-F316 PolarHBondContact O-N 3.33Å; A313-H317 VanDerWaalsContact O-CB 3.25Å; A313-H317 WeakPolarHBondContact O-CB 3.11Å; A313-H317 PolarHBondContact O-N 2.83Å; A313-A325 WeakPolarHBondContact O-CB 3.43Å; A313-Y329 HydrophobicContact CB-CD1 3.47Å; A313-Y329 VanDerWaalsContact CB-CD1 3.47Å; A313-Y329 HydrophobicContact CB-CD2 3.66Å; A313-Y329 HydrophobicContact CB-CE1 3.56Å; A313-Y329 HydrophobicContact CB-CE2 3.77Å; A313-Y329 HydrophobicContact CB-CG 3.5Å |
| 314 | R | 94.6 | Very high | 93 | Very high | 34 Ų | 34 | 40 Ų | 40 | 13% | 0.128 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.8 | -41.3 | 172.5 | -74.5 | 173.4 | 75.7 | -161.3 | 15.3 | 112.9 | N277 F280 Y310 L312 H317 V318 | N277-R314 PolarHBondContact OD1-NH1 3.16Å; F280-R314 VanDerWaalsContact CD1-NH2 3.3Å; F280-R314 HydrophobicContact CD2-CB 4.25Å; F280-R314 HydrophobicContact CE2-CB 3.75Å; F280-R314 HydrophobicContact CZ-CB 4.23Å; Y310-R314 VanDerWaalsContact CE1-CD 3.47Å; Y310-R314 HydrophobicContact CE1-CG 4.36Å; Y310-R314 HydrophobicContact CE2-CG 4.29Å; Y310-R314 VanDerWaalsContact O-CG 3.3Å; Y310-R314 WeakPolarHBondContact O-CG 3.5Å; Y310-R314 PolarHBondContact O-N 3.11Å; L312-R314 VanDerWaalsContact C-N 3.31Å; L312-R314 PolarHBondContact O-N 2.97Å; R314-H317 PolarHBondContact O-N 3.24Å; R314-V318 WeakPolarHBondContact O-CG2 3.33Å; R314-V318 PolarHBondContact O-N 2.86Å; R314-V318 VanDerWaalsContact O-N 3.15Å |
| 315 | S | 94.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.3 | -37 | -178.8 | 74 | 0 | 0 | 0 | 0 | 112.6 | Q289 Q311 L312 A313 V318 Q319 | Q289-S315 WeakPolarHBondContact CG-OG 3.37Å; Q289-S315 PolarHBondContact NE2-OG 3.4Å; Q311-S315 PolarHBondContact O-N 3.4Å; L312-S315 WeakPolarHBondContact O-CA 3.48Å; L312-S315 WeakPolarHBondContact O-CB 3.49Å; L312-S315 PolarHBondContact O-N 3.24Å; L312-S315 PolarHBondContact O-OG 2.9Å; A313-S315 VanDerWaalsContact C-N 3.34Å; A313-S315 PolarHBondContact O-N 3.4Å; S315-V318 WeakPolarHBondContact O-CG2 3.46Å; S315-Q319 VanDerWaalsContact O-CD 3.27Å; S315-Q319 WeakPolarHBondContact O-CG 3.31Å; S315-Q319 PolarHBondContact O-N 3.24Å |
| 316 | F | 95 | Very high | 93.8 | Very high | 22 Ų | 22 | 38.1 Ų | 38.1 | 10% | 0.096 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -75.7 | -39.2 | 175.1 | -66.5 | -62.1 | 0 | 0 | 0 | 112.3 | Q289 L312 A313 V318 Q319 E320 D321 Q324 A325 Y328 | Q289-F316 HydrophobicContact CG-CZ 4.31Å; Q289-F316 VanDerWaalsContact NE2-CE1 3.28Å; L312-F316 HydrophobicContact CB-CE2 4.24Å; L312-F316 HydrophobicContact CD2-CE2 4.31Å; L312-F316 WeakPolarHBondContact O-CD2 3.32Å; L312-F316 PolarHBondContact O-N 3.37Å; A313-F316 PolarHBondContact O-N 3.33Å; F316-V318 PolarHBondContact O-N 2.84Å; F316-Q319 CarbonylContact O-C 3.56Å; F316-Q319 WeakPolarHBondContact O-CA 3.43Å; F316-Q319 WeakPolarHBondContact O-CB 3.45Å; F316-Q319 PolarHBondContact O-N 2.87Å; F316-E320 PolarHBondContact O-N 3.15Å; F316-E320 VanDerWaalsContact O-N 3.09Å; F316-D321 HydrophobicContact CB-CB 4.18Å; F316-D321 HydrophobicContact CD1-CB 4.31Å; F316-D321 PolarHBondContact O-N 2.94Å; F316-Q324 HydrophobicContact CB-CB 4.29Å; F316-Q324 HydrophobicContact CD1-CB 4.19Å; F316-Q324 HydrophobicContact CD2-CB 4.01Å; F316-Q324 HydrophobicContact CE2-CB 4.4Å; F316-Q324 HydrophobicContact CG-CB 3.91Å; F316-A325 HydrophobicContact CB-CB 3.96Å; F316-Y328 AromaticContact CD2-CD2 3.79Å; F316-Y328 HydrophobicContact CD2-CD2 3.79Å; F316-Y328 HydrophobicContact CD2-CE2 4.06Å; F316-Y328 AromaticContact CE2-CD2 3.72Å; F316-Y328 HydrophobicContact CE2-CD2 3.72Å; F316-Y328 AromaticContact CE2-CE2 3.5Å; F316-Y328 HydrophobicContact CE2-CE2 3.5Å; F316-Y328 HydrophobicContact CZ-CE2 4.37Å |
| 317 | H | 95.1 | Very high | 93.9 | Very high | 30 Ų | 30 | 43.3 Ų | 43.3 | 14% | 0.139 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57 | -44.7 | 175.4 | -173.3 | 171.9 | 0 | 0 | 0 | 111.8 | A313 R314 Q319 E320 Y322 A325 Y329 M350 Y353 | A313-H317 VanDerWaalsContact O-CB 3.25Å; A313-H317 WeakPolarHBondContact O-CB 3.11Å; A313-H317 PolarHBondContact O-N 2.83Å; R314-H317 PolarHBondContact O-N 3.24Å; H317-Q319 PolarHBondContact O-N 3.5Å; H317-E320 PolarHBondContact O-N 3.36Å; H317-Y322 AromaticContact CD2-CE1 3.79Å; H317-A325 HydrophobicContact CB-CB 4.08Å; H317-Y329 HydrophobicContact CB-CE2 4.23Å; H317-Y329 AromaticContact ND1-CE2 3.7Å; H317-Y329 AromaticContact ND1-CZ 3.82Å; H317-Y329 PolarHBondContact ND1-OH 3.38Å; H317-Y329 VanDerWaalsContact ND1-OH 3.09Å; H317-M350 WeakPolarHBondContact CE1-CE 3.42Å; H317-M350 WeakPolarHBondContact ND1-CE 3.33Å; H317-M350 WeakPolarHBondContact NE2-CE 3.42Å; H317-Y353 AromaticContact NE2-CE2 3.96Å |
| 318 | V | 93.9 | Very high | 94.2 | Very high | 69 Ų | 69 | 43 Ų | 43 | 42% | 0.418 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 1.8 | 175.6 | -55.3 | 0 | 0 | 0 | 0 | 114.5 | F280 Y285 R314 S315 F316 | F280-V318 HydrophobicContact CE2-CG1 4.07Å; F280-V318 HydrophobicContact CE2-CG2 3.8Å; F280-V318 HydrophobicContact CZ-CG1 3.79Å; F280-V318 HydrophobicContact CZ-CG2 4.29Å; Y285-V318 HydrophobicContact CD1-CG2 3.94Å; Y285-V318 HydrophobicContact CE1-CG2 3.48Å; Y285-V318 VanDerWaalsContact CE1-CG2 3.48Å; Y285-V318 HydrophobicContact CE2-CG2 4.29Å; R314-V318 WeakPolarHBondContact O-CG2 3.33Å; R314-V318 PolarHBondContact O-N 2.86Å; R314-V318 VanDerWaalsContact O-N 3.15Å; S315-V318 WeakPolarHBondContact O-CG2 3.46Å; F316-V318 PolarHBondContact O-N 2.84Å |
| 319 | Q | 92.8 | Very high | 94.3 | Very high | 85 Ų | 85 | 43.4 Ų | 43.4 | 40% | 0.397 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 5.6 | 169.3 | -70.6 | 171.3 | -6.5 | 0 | 0 | 111.6 | Y285 S315 F316 H317 D321 | Y285-Q319 VanDerWaalsContact CB-NE2 3.31Å; S315-Q319 VanDerWaalsContact O-CD 3.27Å; S315-Q319 WeakPolarHBondContact O-CG 3.31Å; S315-Q319 PolarHBondContact O-N 3.24Å; F316-Q319 CarbonylContact O-C 3.56Å; F316-Q319 WeakPolarHBondContact O-CA 3.43Å; F316-Q319 WeakPolarHBondContact O-CB 3.45Å; F316-Q319 PolarHBondContact O-N 2.87Å; H317-Q319 PolarHBondContact O-N 3.5Å; Q319-D321 PolarHBondContact O-N 3.03Å; Q319-D321 VanDerWaalsContact O-N 3.16Å |
| 320 | E | 92.8 | Very high | 94.3 | Very high | 149 Ų | 149 | 49 Ų | 49 | 70% | 0.696 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 12 | -177.3 | -53.5 | -178.1 | 171.7 | 0 | 0 | 114.7 | F316 H317 Y322 | F316-E320 PolarHBondContact O-N 3.15Å; F316-E320 VanDerWaalsContact O-N 3.09Å; H317-E320 PolarHBondContact O-N 3.36Å; E320-Y322 VanDerWaalsContact C-N 3.27Å; E320-Y322 HydrophobicContact CB-CE2 3.88Å; E320-Y322 HydrophobicContact CG-CE2 4.43Å; E320-Y322 WeakPolarHBondContact O-CD2 3.49Å; E320-Y322 WeakPolarHBondContact O-CE2 3.03Å; E320-Y322 PolarHBondContact O-N 2.9Å |
| 321 | D | 94.8 | Very high | 94.2 | Very high | 50 Ų | 50 | 50.7 Ų | 50.7 | 27% | 0.267 | 24% | 0.235 | S | C | . | . | trans | -81.3 | 77.4 | 167.1 | -170 | -31.4 | 0 | 0 | 0 | 109.6 | F316 Q319 D323 Q324 A325 | F316-D321 HydrophobicContact CB-CB 4.18Å; F316-D321 HydrophobicContact CD1-CB 4.31Å; F316-D321 PolarHBondContact O-N 2.94Å; Q319-D321 PolarHBondContact O-N 3.03Å; Q319-D321 VanDerWaalsContact O-N 3.16Å; D321-D323 PolarHBondContact O-N 3.21Å; D321-D323 PolarHBondContact OD1-N 2.97Å; D321-Q324 WeakPolarHBondContact OD1-CB 3.27Å; D321-Q324 WeakPolarHBondContact OD1-CG 3.4Å; D321-Q324 PolarHBondContact OD1-N 3.28Å; D321-Q324 PolarHBondContact OD2-NE2 2.87Å; D321-A325 WeakPolarHBondContact O-CB 3.49Å; D321-A325 PolarHBondContact O-N 2.93Å | ||
| 322 | Y | 93.8 | Very high | 94.1 | Very high | 63 Ų | 63 | 49.9 Ų | 49.9 | 25% | 0.247 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.5 | -22.4 | -178.6 | -60.9 | -68.6 | 0 | 0 | 0 | 113.3 | H317 E320 F326 M350 Y353 | H317-Y322 AromaticContact CD2-CE1 3.79Å; E320-Y322 VanDerWaalsContact C-N 3.27Å; E320-Y322 HydrophobicContact CB-CE2 3.88Å; E320-Y322 HydrophobicContact CG-CE2 4.43Å; E320-Y322 WeakPolarHBondContact O-CD2 3.49Å; E320-Y322 WeakPolarHBondContact O-CE2 3.03Å; E320-Y322 PolarHBondContact O-N 2.9Å; Y322-F326 VanDerWaalsContact O-CB 3.23Å; Y322-F326 WeakPolarHBondContact O-CB 3.23Å; Y322-F326 PolarHBondContact O-N 3.37Å; Y322-M350 HydrophobicContact CD1-CE 3.84Å; Y322-M350 HydrophobicContact CD1-SD 3.96Å; Y322-M350 HydrophobicContact CE1-CE 4.33Å; Y322-Y353 AromaticContact CD1-CD2 3.87Å; Y322-Y353 HydrophobicContact CD1-CD2 3.87Å; Y322-Y353 HydrophobicContact CD1-CE2 4.02Å; Y322-Y353 HydrophobicContact CD1-CG 4.21Å; Y322-Y353 HydrophobicContact CE1-CD1 4.28Å; Y322-Y353 AromaticContact CE1-CD2 3.78Å; Y322-Y353 HydrophobicContact CE1-CD2 3.78Å; Y322-Y353 HydrophobicContact CE1-CE1 4.01Å; Y322-Y353 AromaticContact CE1-CE2 3.45Å; Y322-Y353 HydrophobicContact CE1-CE2 3.45Å; Y322-Y353 VanDerWaalsContact CE1-CE2 3.45Å; Y322-Y353 HydrophobicContact CE1-CG 4.18Å; Y322-Y353 AromaticContact CE1-CZ 3.58Å; Y322-Y353 HydrophobicContact CE2-CE1 4.45Å; Y322-Y353 AromaticContact CZ-CE1 3.82Å; Y322-Y353 AromaticContact CZ-CZ 3.76Å; Y322-Y353 PolarHBondContact OH-OH 2.94Å |
| 323 | D | 92.6 | Very high | 93.9 | Very high | 93 Ų | 93 | 50.9 Ų | 50.9 | 50% | 0.497 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -83 | -40.7 | -176.7 | -76.5 | -37.9 | 0 | 0 | 0 | 113 | D321 Q327 R354 | D321-D323 PolarHBondContact O-N 3.21Å; D321-D323 PolarHBondContact OD1-N 2.97Å; D323-Q327 WeakPolarHBondContact O-CG 3.4Å; D323-Q327 PolarHBondContact O-N 3.28Å; D323-Q327 PolarHBondContact O-NE2 2.95Å; D323-R354 IonicContact OD1-CZ 3.85Å; D323-R354 IonicContact OD1-NE 3.59Å; D323-R354 IonicContact OD1-NH2 3.16Å; D323-R354 PolarHBondContact OD1-NH2 2.99Å |
| 324 | Q | 93.6 | Very high | 93.6 | Very high | 76 Ų | 76 | 57.5 Ų | 57.5 | 36% | 0.355 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.4 | -40.5 | 166.9 | -66.1 | -168.7 | 69.2 | 0 | 0 | 110.4 | F316 D321 F326 Q327 Y328 | F316-Q324 HydrophobicContact CB-CB 4.29Å; F316-Q324 HydrophobicContact CD1-CB 4.19Å; F316-Q324 HydrophobicContact CD2-CB 4.01Å; F316-Q324 HydrophobicContact CE2-CB 4.4Å; F316-Q324 HydrophobicContact CG-CB 3.91Å; D321-Q324 WeakPolarHBondContact OD1-CB 3.27Å; D321-Q324 WeakPolarHBondContact OD1-CG 3.4Å; D321-Q324 PolarHBondContact OD1-N 3.28Å; D321-Q324 PolarHBondContact OD2-NE2 2.87Å; Q324-F326 PolarHBondContact O-N 3.45Å; Q324-Q327 PolarHBondContact O-N 3.39Å; Q324-Y328 VanDerWaalsContact O-CD2 3.23Å; Q324-Y328 WeakPolarHBondContact O-CD2 3.39Å; Q324-Y328 PolarHBondContact O-N 2.89Å |
| 325 | A | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.8 | -46 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A313 F316 H317 D321 Q327 Y328 Y329 M350 | A313-A325 WeakPolarHBondContact O-CB 3.43Å; F316-A325 HydrophobicContact CB-CB 3.96Å; H317-A325 HydrophobicContact CB-CB 4.08Å; D321-A325 WeakPolarHBondContact O-CB 3.49Å; D321-A325 PolarHBondContact O-N 2.93Å; A325-Q327 PolarHBondContact O-N 2.81Å; A325-Y328 PolarHBondContact O-N 3.49Å; A325-Y329 HydrophobicContact CB-CD2 4.29Å; A325-Y329 HydrophobicContact CB-CE2 4.18Å; A325-Y329 WeakPolarHBondContact O-CB 3.26Å; A325-Y329 WeakPolarHBondContact O-CD2 3.45Å; A325-Y329 PolarHBondContact O-N 3.39Å; A325-M350 HydrophobicContact CB-SD 3.71Å |
| 326 | F | 94.7 | Very high | 92.3 | Very high | 29 Ų | 29 | 59.7 Ų | 59.7 | 13% | 0.127 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.2 | -49.3 | 175.8 | 177.4 | -87.9 | 0 | 0 | 0 | 112.2 | Y322 Q324 Y328 Y329 Y330 L347 M350 Y351 R354 | Y322-F326 VanDerWaalsContact O-CB 3.23Å; Y322-F326 WeakPolarHBondContact O-CB 3.23Å; Y322-F326 PolarHBondContact O-N 3.37Å; Q324-F326 PolarHBondContact O-N 3.45Å; F326-Y328 PolarHBondContact O-N 2.68Å; F326-Y329 PolarHBondContact O-N 2.66Å; F326-Y330 VanDerWaalsContact O-CB 3.31Å; F326-Y330 WeakPolarHBondContact O-CB 3.43Å; F326-Y330 PolarHBondContact O-N 3.15Å; F326-L347 HydrophobicContact CD2-CD1 3.81Å; F326-L347 HydrophobicContact CE2-CD1 3.66Å; F326-L347 HydrophobicContact CZ-CD1 4.31Å; F326-M350 HydrophobicContact CB-CB 4.3Å; F326-M350 HydrophobicContact CB-CG 4.34Å; F326-M350 HydrophobicContact CD2-CB 3.83Å; F326-Y351 AromaticContact CE2-CD1 3.93Å; F326-Y351 HydrophobicContact CE2-CD1 3.93Å; F326-Y351 AromaticContact CE2-CE1 3.53Å; F326-Y351 HydrophobicContact CE2-CE1 3.53Å; F326-Y351 HydrophobicContact CE2-CE2 4.5Å; F326-Y351 AromaticContact CE2-CZ 3.84Å; F326-Y351 AromaticContact CZ-CE1 3.93Å; F326-Y351 HydrophobicContact CZ-CE1 3.93Å; F326-R354 VanDerWaalsContact CE1-NH1 3.28Å |
| 327 | Q | 93.9 | Very high | 91.1 | Very high | 109 Ų | 109 | 61.3 Ų | 61.3 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.9 | -45.7 | -179.2 | -71.4 | 173.5 | 60.4 | 0 | 0 | 111.5 | D323 Q324 A325 Y330 Q331 | D323-Q327 WeakPolarHBondContact O-CG 3.4Å; D323-Q327 PolarHBondContact O-N 3.28Å; D323-Q327 PolarHBondContact O-NE2 2.95Å; Q324-Q327 PolarHBondContact O-N 3.39Å; A325-Q327 PolarHBondContact O-N 2.81Å; Q327-Y330 PolarHBondContact O-N 3.39Å; Q327-Q331 WeakPolarHBondContact O-CB 3.41Å; Q327-Q331 VanDerWaalsContact O-CG 3.29Å; Q327-Q331 WeakPolarHBondContact O-CG 3.48Å; Q327-Q331 PolarHBondContact O-N 3.25Å |
| 328 | Y | 95.3 | Very high | 90 | Very high | 48 Ų | 48 | 66.2 Ų | 66.2 | 19% | 0.188 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -72.1 | -33.4 | 178.5 | -73.9 | -62 | 0 | 0 | 0 | 113.3 | C309 L312 F316 Q324 A325 F326 A332 | C309-Y328 HydrophobicContact CB-CD1 4.42Å; C309-Y328 WeakPolarHBondContact CB-O 3.28Å; L312-Y328 HydrophobicContact CB-CD1 4.21Å; L312-Y328 HydrophobicContact CB-CD2 4.1Å; L312-Y328 HydrophobicContact CB-CE2 4.46Å; L312-Y328 HydrophobicContact CB-CG 3.97Å; L312-Y328 HydrophobicContact CD1-CD1 4.07Å; L312-Y328 HydrophobicContact CD1-CE1 3.8Å; F316-Y328 AromaticContact CD2-CD2 3.79Å; F316-Y328 HydrophobicContact CD2-CD2 3.79Å; F316-Y328 HydrophobicContact CD2-CE2 4.06Å; F316-Y328 AromaticContact CE2-CD2 3.72Å; F316-Y328 HydrophobicContact CE2-CD2 3.72Å; F316-Y328 AromaticContact CE2-CE2 3.5Å; F316-Y328 HydrophobicContact CE2-CE2 3.5Å; F316-Y328 HydrophobicContact CZ-CE2 4.37Å; Q324-Y328 VanDerWaalsContact O-CD2 3.23Å; Q324-Y328 WeakPolarHBondContact O-CD2 3.39Å; Q324-Y328 PolarHBondContact O-N 2.89Å; A325-Y328 PolarHBondContact O-N 3.49Å; F326-Y328 PolarHBondContact O-N 2.68Å; Y328-A332 WeakPolarHBondContact O-CB 3.2Å; Y328-A332 PolarHBondContact O-N 3.25Å |
| 329 | Y | 95.3 | Very high | 89.1 | Confident | 7 Ų | 7 | 67.7 Ų | 67.7 | 3% | 0.027 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.2 | -40.3 | 170.8 | -78.8 | -54.9 | 0 | 0 | 0 | 111.7 | Y310 A313 H317 A325 F326 A332 T333 M350 | Y310-Y329 HydrophobicContact CD2-CD1 4.16Å; Y310-Y329 AromaticContact CD2-CE1 3.81Å; Y310-Y329 HydrophobicContact CD2-CE1 3.81Å; Y310-Y329 AromaticContact CE2-CE1 3.9Å; Y310-Y329 HydrophobicContact CE2-CE1 3.9Å; A313-Y329 HydrophobicContact CB-CD1 3.47Å; A313-Y329 VanDerWaalsContact CB-CD1 3.47Å; A313-Y329 HydrophobicContact CB-CD2 3.66Å; A313-Y329 HydrophobicContact CB-CE1 3.56Å; A313-Y329 HydrophobicContact CB-CE2 3.77Å; A313-Y329 HydrophobicContact CB-CG 3.5Å; H317-Y329 HydrophobicContact CB-CE2 4.23Å; H317-Y329 AromaticContact ND1-CE2 3.7Å; H317-Y329 AromaticContact ND1-CZ 3.82Å; H317-Y329 PolarHBondContact ND1-OH 3.38Å; H317-Y329 VanDerWaalsContact ND1-OH 3.09Å; A325-Y329 HydrophobicContact CB-CD2 4.29Å; A325-Y329 HydrophobicContact CB-CE2 4.18Å; A325-Y329 WeakPolarHBondContact O-CB 3.26Å; A325-Y329 WeakPolarHBondContact O-CD2 3.45Å; A325-Y329 PolarHBondContact O-N 3.39Å; F326-Y329 PolarHBondContact O-N 2.66Å; Y329-A332 PolarHBondContact O-N 3.27Å; Y329-T333 PolarHBondContact O-N 2.87Å; Y329-T333 PolarHBondContact O-OG1 3.14Å; Y329-M350 HydrophobicContact CD2-CG 3.53Å; Y329-M350 HydrophobicContact CD2-SD 4.05Å; Y329-M350 HydrophobicContact CE2-CE 4.23Å; Y329-M350 HydrophobicContact CE2-CG 4Å; Y329-M350 HydrophobicContact CE2-SD 4.04Å |
| 330 | Y | 93.2 | Very high | 88.6 | Confident | 117 Ų | 117 | 65.2 Ų | 65.2 | 46% | 0.459 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.3 | -49.5 | 177.4 | -175 | -95 | 0 | 0 | 0 | 111.3 | F326 Q327 A332 T333 Q334 L347 | F326-Y330 VanDerWaalsContact O-CB 3.31Å; F326-Y330 WeakPolarHBondContact O-CB 3.43Å; F326-Y330 PolarHBondContact O-N 3.15Å; Q327-Y330 PolarHBondContact O-N 3.39Å; Y330-A332 VanDerWaalsContact C-N 3.3Å; Y330-A332 PolarHBondContact O-N 3Å; Y330-T333 PolarHBondContact O-N 3.02Å; Y330-T333 VanDerWaalsContact O-N 3.09Å; Y330-T333 PolarHBondContact O-OG1 3.34Å; Y330-Q334 PolarHBondContact O-N 2.71Å; Y330-L347 HydrophobicContact CD2-CD2 4.38Å |
| 331 | Q | 91.8 | Very high | 88.4 | Confident | 67 Ų | 67 | 58.9 Ų | 58.9 | 31% | 0.313 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -55.4 | -45.3 | 171 | -71.7 | 171.3 | 12.2 | 0 | 0 | 111.5 | C309 Q327 T333 Q334 F335 | C309-Q331 HydrophobicContact CB-CB 4.46Å; Q327-Q331 WeakPolarHBondContact O-CB 3.41Å; Q327-Q331 VanDerWaalsContact O-CG 3.29Å; Q327-Q331 WeakPolarHBondContact O-CG 3.48Å; Q327-Q331 PolarHBondContact O-N 3.25Å; Q331-T333 VanDerWaalsContact C-N 3.3Å; Q331-T333 PolarHBondContact O-N 3.16Å; Q331-Q334 PolarHBondContact O-N 2.93Å; Q331-Q334 VanDerWaalsContact O-N 3.08Å; Q331-F335 HydrophobicContact CB-CE2 4.24Å; Q331-F335 WeakPolarHBondContact O-CD2 3.5Å; Q331-F335 PolarHBondContact O-N 2.94Å |
| 332 | A | 92.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.4 | -35.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A306 C309 Y328 Y329 Y330 A336 P343 | A306-A332 WeakPolarHBondContact O-CB 3.35Å; C309-A332 HydrophobicContact CB-CB 3.79Å; Y328-A332 WeakPolarHBondContact O-CB 3.2Å; Y328-A332 PolarHBondContact O-N 3.25Å; Y329-A332 PolarHBondContact O-N 3.27Å; Y330-A332 VanDerWaalsContact C-N 3.3Å; Y330-A332 PolarHBondContact O-N 3Å; A332-A336 WeakPolarHBondContact O-CA 3.08Å; A332-A336 VanDerWaalsContact O-CB 3.23Å; A332-A336 WeakPolarHBondContact O-CB 3.5Å; A332-A336 PolarHBondContact O-N 3.28Å; A332-P343 HydrophobicContact CB-CB 3.81Å; A332-P343 HydrophobicContact CB-CG 3.85Å |
| 333 | T | 89.9 | Confident | 88 | Confident | 21 Ų | 21 | 57.3 Ų | 57.3 | 13% | 0.129 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.9 | -30.4 | 172.3 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | Y329 Y330 Q331 A336 P343 F344 L347 | Y329-T333 PolarHBondContact O-N 2.87Å; Y329-T333 PolarHBondContact O-OG1 3.14Å; Y330-T333 PolarHBondContact O-N 3.02Å; Y330-T333 VanDerWaalsContact O-N 3.09Å; Y330-T333 PolarHBondContact O-OG1 3.34Å; Q331-T333 VanDerWaalsContact C-N 3.3Å; Q331-T333 PolarHBondContact O-N 3.16Å; T333-A336 PolarHBondContact O-N 3.34Å; T333-P343 HydrophobicContact CG2-CB 3.59Å; T333-F344 HydrophobicContact CG2-CD1 3.48Å; T333-F344 VanDerWaalsContact CG2-CD1 3.48Å; T333-F344 HydrophobicContact CG2-CD2 4.46Å; T333-F344 HydrophobicContact CG2-CE1 3.55Å; T333-F344 HydrophobicContact CG2-CG 3.96Å; T333-F344 HydrophobicContact CG2-CZ 4.08Å; T333-L347 HydrophobicContact CG2-CB 4.41Å; T333-L347 HydrophobicContact CG2-CD2 3.87Å |
| 334 | Q | 88.9 | Confident | 88 | Confident | 138 Ų | 138 | 54.9 Ų | 54.9 | 65% | 0.645 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -70.8 | -37.2 | 177.4 | -171.6 | 63.5 | 29.3 | 0 | 0 | 112 | Y330 Q331 | Y330-Q334 PolarHBondContact O-N 2.71Å; Q331-Q334 PolarHBondContact O-N 2.93Å; Q331-Q334 VanDerWaalsContact O-N 3.08Å |
| 335 | F | 85.7 | Confident | 88 | Confident | 57 Ų | 57 | 52.7 Ų | 52.7 | 25% | 0.25 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -89.6 | -1.7 | 175.1 | -55.4 | -55.3 | 0 | 0 | 0 | 113.6 | F296 E302 Q305 A306 Q331 S337 | F296-F335 HydrophobicContact CE2-CE2 4.21Å; E302-F335 HydrophobicContact CB-CB 4.31Å; Q305-F335 HydrophobicContact CB-CD2 4.12Å; Q305-F335 HydrophobicContact CB-CG 4.31Å; A306-F335 HydrophobicContact CB-CB 3.86Å; Q331-F335 HydrophobicContact CB-CE2 4.24Å; Q331-F335 WeakPolarHBondContact O-CD2 3.5Å; Q331-F335 PolarHBondContact O-N 2.94Å; F335-S337 PolarHBondContact O-N 3.25Å |
| 336 | A | 76.4 | Confident | 87.8 | Confident | 24 Ų | 24 | 52.8 Ų | 52.8 | 20% | 0.198 | 28% | 0.279 | C | S | . | . | trans | -68.7 | 119.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A332 T333 F344 | A332-A336 WeakPolarHBondContact O-CA 3.08Å; A332-A336 VanDerWaalsContact O-CB 3.23Å; A332-A336 WeakPolarHBondContact O-CB 3.5Å; A332-A336 PolarHBondContact O-N 3.28Å; T333-A336 PolarHBondContact O-N 3.34Å; A336-F344 HydrophobicContact CB-CE2 4.24Å; A336-F344 HydrophobicContact CB-CZ 4.46Å | ||
| 337 | S | 70.3 | Confident | 87.7 | Confident | 55 Ų | 55 | 51.7 Ų | 51.7 | 39% | 0.385 | 27% | 0.274 | S | S | . | . | trans | -58.7 | 146.6 | 161.2 | 80.2 | 0 | 0 | 0 | 0 | 110.2 | F335 S339 F340 | F335-S337 PolarHBondContact O-N 3.25Å; S337-S339 PolarHBondContact O-N 3.28Å; S337-F340 PolarHBondContact O-N 3.48Å | ||
| 338 | S | 72.1 | Confident | 87.7 | Confident | 134 Ų | 134 | 46.5 Ų | 46.5 | 94% | 0.937 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -4.1 | 178.6 | -178.3 | 0 | 0 | 0 | 0 | 115.5 | ||
| 339 | S | 74.5 | Confident | 87.5 | Confident | 99 Ų | 99 | 46.8 Ų | 46.8 | 69% | 0.692 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -10.9 | 173.2 | -171.5 | 0 | 0 | 0 | 0 | 113.8 | S337 | S337-S339 PolarHBondContact O-N 3.28Š|
| 340 | F | 84 | Confident | 87.4 | Confident | 33 Ų | 33 | 46.5 Ų | 46.5 | 15% | 0.145 | 25% | 0.252 | C | S | . | . | trans | -105 | 87 | -174.1 | -173.3 | -128.5 | 0 | 0 | 0 | 110.3 | A306 E307 Y310 S337 L342 P343 | A306-F340 HydrophobicContact CB-CD1 4.14Å; A306-F340 HydrophobicContact CB-CE1 4.24Å; E307-F340 HydrophobicContact CG-CE1 4.15Å; E307-F340 HydrophobicContact CG-CE2 4.18Å; E307-F340 HydrophobicContact CG-CZ 3.87Å; Y310-F340 AromaticContact CD1-CZ 3.72Å; Y310-F340 HydrophobicContact CD1-CZ 3.72Å; Y310-F340 HydrophobicContact CD2-CZ 4.46Å; Y310-F340 HydrophobicContact CE1-CZ 4.35Å; Y310-F340 HydrophobicContact CG-CE1 4.25Å; Y310-F340 AromaticContact CG-CZ 3.78Å; Y310-F340 HydrophobicContact CG-CZ 3.78Å; S337-F340 PolarHBondContact O-N 3.48Å; F340-L342 HydrophobicContact CE2-CB 4.25Å; F340-L342 HydrophobicContact CE2-CD1 4.13Å; F340-L342 HydrophobicContact CE2-CG 4.4Å; F340-P343 HydrophobicContact CD1-CG 3.53Å; F340-P343 VanDerWaalsContact CE1-CD 3.5Å; F340-P343 HydrophobicContact CE1-CG 3.27Å; F340-P343 HydrophobicContact CG-CG 4.49Å; F340-P343 HydrophobicContact CZ-CG 4.07Å; F340-P343 WeakPolarHBondContact O-CD 3.3Å | ||
| 341 | V | 87.5 | Confident | 87.5 | Confident | 17 Ų | 17 | 42.3 Ų | 42.3 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | trans | -79.3 | -23.4 | -171 | 89 | 0 | 0 | 0 | 0 | 114 | P343 F344 V367 A370 Y371 | V341-P343 VanDerWaalsContact C-CD 3.47Å; V341-F344 WeakPolarHBondContact O-CB 3.4Å; V341-F344 PolarHBondContact O-N 2.86Å; V341-V367 HydrophobicContact CG2-CB 4.17Å; V341-V367 HydrophobicContact CG2-CG1 4.27Å; V341-V367 HydrophobicContact CG2-CG2 4.03Å; V341-A370 HydrophobicContact CB-CB 4.45Å; V341-A370 HydrophobicContact CG2-CB 3.86Å; V341-Y371 HydrophobicContact CB-CD2 4.25Å; V341-Y371 HydrophobicContact CB-CE2 3.94Å; V341-Y371 HydrophobicContact CG1-CD2 3.75Å; V341-Y371 HydrophobicContact CG1-CE2 3.53Å; V341-Y371 HydrophobicContact CG2-CD2 4.38Å; V341-Y371 HydrophobicContact CG2-CE2 4.5Å | ||
| 342 | L | 89 | Confident | 87.4 | Confident | 80 Ų | 80 | 42.5 Ų | 42.5 | 42% | 0.419 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.1 | -33.1 | -164.9 | -58.3 | 178.1 | 0 | 0 | 0 | 114.9 | Y310 F340 F344 F345 G346 | Y310-L342 HydrophobicContact CD2-CB 4.34Å; Y310-L342 HydrophobicContact CE1-CB 4.11Å; Y310-L342 HydrophobicContact CE1-CD1 4.03Å; Y310-L342 HydrophobicContact CE2-CB 3.59Å; Y310-L342 VanDerWaalsContact CZ-CB 3.46Å; F340-L342 HydrophobicContact CE2-CB 4.25Å; F340-L342 HydrophobicContact CE2-CD1 4.13Å; F340-L342 HydrophobicContact CE2-CG 4.4Å; L342-F344 VanDerWaalsContact C-N 3.31Å; L342-F344 PolarHBondContact O-N 3.44Å; L342-F345 PolarHBondContact O-N 2.84Å; L342-G346 PolarHBondContact O-N 3.19Å |
| 343 | P | 92.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.6 | -36.5 | 172 | -27.7 | 37.9 | 0 | 0 | 0 | 113.9 | Y310 A332 T333 F340 V341 F345 G346 L347 | Y310-P343 HydrophobicContact CD2-CB 4.48Å; Y310-P343 HydrophobicContact CD2-CG 4.01Å; Y310-P343 HydrophobicContact CG-CG 4.42Å; A332-P343 HydrophobicContact CB-CB 3.81Å; A332-P343 HydrophobicContact CB-CG 3.85Å; T333-P343 HydrophobicContact CG2-CB 3.59Å; F340-P343 HydrophobicContact CD1-CG 3.53Å; F340-P343 VanDerWaalsContact CE1-CD 3.5Å; F340-P343 HydrophobicContact CE1-CG 3.27Å; F340-P343 HydrophobicContact CG-CG 4.49Å; F340-P343 HydrophobicContact CZ-CG 4.07Å; F340-P343 WeakPolarHBondContact O-CD 3.3Å; V341-P343 VanDerWaalsContact C-CD 3.47Å; P343-F345 VanDerWaalsContact C-N 3.33Å; P343-F345 PolarHBondContact O-N 3.16Å; P343-G346 PolarHBondContact O-N 3.42Å; P343-L347 VanDerWaalsContact O-CB 3.25Å; P343-L347 WeakPolarHBondContact O-CB 3.43Å; P343-L347 PolarHBondContact O-N 3.21Å |
| 344 | F | 91.9 | Very high | 87.3 | Confident | 41 Ų | 41 | 53 Ų | 53 | 18% | 0.18 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.6 | -33.9 | 178.7 | -61.9 | -73.7 | 0 | 0 | 0 | 112.2 | T333 A336 V341 L342 G348 C363 K366 V367 | T333-F344 HydrophobicContact CG2-CD1 3.48Å; T333-F344 VanDerWaalsContact CG2-CD1 3.48Å; T333-F344 HydrophobicContact CG2-CD2 4.46Å; T333-F344 HydrophobicContact CG2-CE1 3.55Å; T333-F344 HydrophobicContact CG2-CG 3.96Å; T333-F344 HydrophobicContact CG2-CZ 4.08Å; A336-F344 HydrophobicContact CB-CE2 4.24Å; A336-F344 HydrophobicContact CB-CZ 4.46Å; V341-F344 WeakPolarHBondContact O-CB 3.4Å; V341-F344 PolarHBondContact O-N 2.86Å; L342-F344 VanDerWaalsContact C-N 3.31Å; L342-F344 PolarHBondContact O-N 3.44Å; F344-G348 PolarHBondContact O-N 3.27Å; F344-C363 WeakPolarHBondContact O-CB 3.43Å; F344-K366 HydrophobicContact CD1-CD 3.97Å; F344-K366 HydrophobicContact CE1-CD 4.06Å; F344-V367 HydrophobicContact CB-CG2 3.91Å |
| 345 | F | 92.3 | Very high | 87.2 | Confident | 31 Ų | 31 | 48.8 Ų | 48.8 | 14% | 0.136 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.7 | -48.7 | 174.2 | -175.8 | -93.1 | 0 | 0 | 0 | 111.2 | L342 P343 G348 Q349 F364 V367 E376 T377 I380 | L342-F345 PolarHBondContact O-N 2.84Å; P343-F345 VanDerWaalsContact C-N 3.33Å; P343-F345 PolarHBondContact O-N 3.16Å; F345-G348 PolarHBondContact O-N 2.99Å; F345-Q349 HydrophobicContact CE1-CG 4.36Å; F345-Q349 WeakPolarHBondContact O-CG 3.43Å; F345-Q349 PolarHBondContact O-N 2.93Å; F345-Q349 VanDerWaalsContact O-N 3.08Å; F345-F364 AromaticContact CD2-CD1 3.99Å; F345-F364 HydrophobicContact CD2-CD1 3.99Å; F345-F364 AromaticContact CD2-CE1 3.67Å; F345-F364 HydrophobicContact CD2-CE1 3.67Å; F345-F364 HydrophobicContact CE2-CD1 4.44Å; F345-F364 AromaticContact CE2-CE1 3.97Å; F345-F364 HydrophobicContact CE2-CE1 3.97Å; F345-F364 HydrophobicContact CG-CE1 4.21Å; F345-V367 HydrophobicContact CB-CG2 4Å; F345-E376 HydrophobicContact CE2-CB 4.17Å; F345-E376 HydrophobicContact CZ-CB 4.13Å; F345-E376 WeakPolarHBondContact CZ-OE2 3.39Å; F345-T377 WeakPolarHBondContact CD2-OG1 3.5Å; F345-T377 WeakPolarHBondContact CE2-OG1 3.21Å; F345-I380 HydrophobicContact CE2-CD1 4.28Å; F345-I380 HydrophobicContact CZ-CD1 4.25Å |
| 346 | G | 91.8 | Very high | 87.5 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L342 P343 G348 Q349 M350 | L342-G346 PolarHBondContact O-N 3.19Å; P343-G346 PolarHBondContact O-N 3.42Å; G346-G348 VanDerWaalsContact C-N 3.32Å; G346-G348 PolarHBondContact O-N 3.41Å; G346-Q349 WeakPolarHBondContact O-CB 3.4Å; G346-Q349 PolarHBondContact O-N 3.45Å; G346-Q349 VanDerWaalsContact O-N 3.15Å; G346-M350 WeakPolarHBondContact O-CG 3.38Å; G346-M350 PolarHBondContact O-N 3.17Å |
| 347 | L | 93.1 | Very high | 88.1 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 175.4 | -171.5 | 63.7 | 0 | 0 | 0 | 111.9 | F326 Y330 T333 P343 Q349 M350 Y351 | F326-L347 HydrophobicContact CD2-CD1 3.81Å; F326-L347 HydrophobicContact CE2-CD1 3.66Å; F326-L347 HydrophobicContact CZ-CD1 4.31Å; Y330-L347 HydrophobicContact CD2-CD2 4.38Å; T333-L347 HydrophobicContact CG2-CB 4.41Å; T333-L347 HydrophobicContact CG2-CD2 3.87Å; P343-L347 VanDerWaalsContact O-CB 3.25Å; P343-L347 WeakPolarHBondContact O-CB 3.43Å; P343-L347 PolarHBondContact O-N 3.21Å; L347-Q349 VanDerWaalsContact C-N 3.3Å; L347-Q349 PolarHBondContact O-N 3.23Å; L347-M350 PolarHBondContact O-N 3Å; L347-Y351 HydrophobicContact CD1-CD2 4.47Å; L347-Y351 HydrophobicContact CD1-CE2 4.04Å; L347-Y351 HydrophobicContact CD2-CE2 3.82Å; L347-Y351 HydrophobicContact CG-CD2 3.93Å; L347-Y351 HydrophobicContact CG-CE2 3.55Å; L347-Y351 VanDerWaalsContact O-CD2 3.28Å; L347-Y351 WeakPolarHBondContact O-CD2 3.11Å; L347-Y351 PolarHBondContact O-N 2.81Å |
| 348 | G | 93.4 | Very high | 89 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.9 | -38.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | F344 F345 G346 I352 A360 | F344-G348 PolarHBondContact O-N 3.27Å; F345-G348 PolarHBondContact O-N 2.99Å; G346-G348 VanDerWaalsContact C-N 3.32Å; G346-G348 PolarHBondContact O-N 3.41Å; G348-I352 PolarHBondContact O-N 3.21Å; G348-A360 WeakPolarHBondContact O-CB 3.32Å |
| 349 | Q | 91.6 | Very high | 89.8 | Confident | 55 Ų | 55 | 54.1 Ų | 54.1 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 172.9 | -64.8 | 174.2 | -61 | 0 | 0 | 111.5 | F345 G346 L347 Y351 I352 Y353 F364 | F345-Q349 HydrophobicContact CE1-CG 4.36Å; F345-Q349 WeakPolarHBondContact O-CG 3.43Å; F345-Q349 PolarHBondContact O-N 2.93Å; F345-Q349 VanDerWaalsContact O-N 3.08Å; G346-Q349 WeakPolarHBondContact O-CB 3.4Å; G346-Q349 PolarHBondContact O-N 3.45Å; G346-Q349 VanDerWaalsContact O-N 3.15Å; L347-Q349 VanDerWaalsContact C-N 3.3Å; L347-Q349 PolarHBondContact O-N 3.23Å; Q349-Y351 VanDerWaalsContact C-N 3.34Å; Q349-Y351 PolarHBondContact O-N 3.39Å; Q349-I352 WeakPolarHBondContact O-CB 3.31Å; Q349-I352 PolarHBondContact O-N 2.62Å; Q349-I352 VanDerWaalsContact O-N 3.12Å; Q349-Y353 VanDerWaalsContact O-CD2 3.26Å; Q349-Y353 WeakPolarHBondContact O-CD2 3.39Å; Q349-Y353 PolarHBondContact O-N 3.15Å; Q349-Y353 VanDerWaalsContact O-N 3.11Å; Q349-F364 HydrophobicContact CG-CZ 4.14Å |
| 350 | M | 93.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.9 | -38.8 | 177.2 | -57.9 | -61.4 | 89.5 | 0 | 0 | 112.7 | H317 Y322 A325 F326 Y329 G346 L347 I352 Y353 R354 | H317-M350 WeakPolarHBondContact CE1-CE 3.42Å; H317-M350 WeakPolarHBondContact ND1-CE 3.33Å; H317-M350 WeakPolarHBondContact NE2-CE 3.42Å; Y322-M350 HydrophobicContact CD1-CE 3.84Å; Y322-M350 HydrophobicContact CD1-SD 3.96Å; Y322-M350 HydrophobicContact CE1-CE 4.33Å; A325-M350 HydrophobicContact CB-SD 3.71Å; F326-M350 HydrophobicContact CB-CB 4.3Å; F326-M350 HydrophobicContact CB-CG 4.34Å; F326-M350 HydrophobicContact CD2-CB 3.83Å; Y329-M350 HydrophobicContact CD2-CG 3.53Å; Y329-M350 HydrophobicContact CD2-SD 4.05Å; Y329-M350 HydrophobicContact CE2-CE 4.23Å; Y329-M350 HydrophobicContact CE2-CG 4Å; Y329-M350 HydrophobicContact CE2-SD 4.04Å; G346-M350 WeakPolarHBondContact O-CG 3.38Å; G346-M350 PolarHBondContact O-N 3.17Å; L347-M350 PolarHBondContact O-N 3Å; M350-I352 VanDerWaalsContact C-N 3.3Å; M350-I352 PolarHBondContact O-N 2.91Å; M350-Y353 HydrophobicContact CE-CD2 3.87Å; M350-Y353 HydrophobicContact CE-CE2 4.06Å; M350-Y353 PolarHBondContact O-N 3.27Å; M350-R354 PolarHBondContact O-N 3.06Å; M350-R354 VanDerWaalsContact O-N 3.16Å |
| 351 | Y | 93.8 | Very high | 91 | Very high | 28 Ų | 28 | 48.4 Ų | 48.4 | 11% | 0.11 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.8 | -34.4 | 173.8 | -77.4 | -54.4 | 0 | 0 | 0 | 112.1 | F326 L347 Q349 R354 G355 D356 N359 | F326-Y351 AromaticContact CE2-CD1 3.93Å; F326-Y351 HydrophobicContact CE2-CD1 3.93Å; F326-Y351 AromaticContact CE2-CE1 3.53Å; F326-Y351 HydrophobicContact CE2-CE1 3.53Å; F326-Y351 HydrophobicContact CE2-CE2 4.5Å; F326-Y351 AromaticContact CE2-CZ 3.84Å; F326-Y351 AromaticContact CZ-CE1 3.93Å; F326-Y351 HydrophobicContact CZ-CE1 3.93Å; L347-Y351 HydrophobicContact CD1-CD2 4.47Å; L347-Y351 HydrophobicContact CD1-CE2 4.04Å; L347-Y351 HydrophobicContact CD2-CE2 3.82Å; L347-Y351 HydrophobicContact CG-CD2 3.93Å; L347-Y351 HydrophobicContact CG-CE2 3.55Å; L347-Y351 VanDerWaalsContact O-CD2 3.28Å; L347-Y351 WeakPolarHBondContact O-CD2 3.11Å; L347-Y351 PolarHBondContact O-N 2.81Å; Q349-Y351 VanDerWaalsContact C-N 3.34Å; Q349-Y351 PolarHBondContact O-N 3.39Å; Y351-R354 PolarHBondContact O-N 3.03Å; Y351-G355 PolarHBondContact O-N 3.19Å; Y351-D356 HydrophobicContact CD1-CB 3.58Å; Y351-D356 HydrophobicContact CE1-CB 4.47Å; Y351-D356 HydrophobicContact CG-CB 4.17Å; Y351-D356 PolarHBondContact O-N 3.3Å; Y351-N359 HydrophobicContact CD1-CB 3.72Å; Y351-N359 HydrophobicContact CD2-CB 3.73Å; Y351-N359 HydrophobicContact CE1-CB 3.7Å; Y351-N359 HydrophobicContact CE2-CB 3.73Å; Y351-N359 HydrophobicContact CG-CB 3.74Å |
| 352 | I | 91.3 | Very high | 91.1 | Very high | 72 Ų | 72 | 51.5 Ų | 51.5 | 37% | 0.369 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 172.1 | -70.9 | 172.7 | 0 | 0 | 0 | 111.2 | G348 Q349 M350 R354 G355 A360 F364 I380 | G348-I352 PolarHBondContact O-N 3.21Å; Q349-I352 WeakPolarHBondContact O-CB 3.31Å; Q349-I352 PolarHBondContact O-N 2.62Å; Q349-I352 VanDerWaalsContact O-N 3.12Å; M350-I352 VanDerWaalsContact C-N 3.3Å; M350-I352 PolarHBondContact O-N 2.91Å; I352-R354 PolarHBondContact O-N 3.25Å; I352-G355 PolarHBondContact O-N 3.02Å; I352-A360 HydrophobicContact CG1-CB 3.83Å; I352-F364 HydrophobicContact CD1-CE2 3.72Å; I352-F364 HydrophobicContact CD1-CZ 4.24Å; I352-F364 HydrophobicContact CG1-CE2 4.45Å; I352-I380 HydrophobicContact CD1-CG2 3.49Å; I352-I380 VanDerWaalsContact CD1-CG2 3.49Å |
| 353 | Y | 88.9 | Confident | 91.2 | Very high | 133 Ų | 133 | 48 Ų | 48 | 52% | 0.522 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.9 | -31.3 | 177.7 | -78.7 | -71 | 0 | 0 | 0 | 113.3 | H317 Y322 Q349 M350 | H317-Y353 AromaticContact NE2-CE2 3.96Å; Y322-Y353 AromaticContact CD1-CD2 3.87Å; Y322-Y353 HydrophobicContact CD1-CD2 3.87Å; Y322-Y353 HydrophobicContact CD1-CE2 4.02Å; Y322-Y353 HydrophobicContact CD1-CG 4.21Å; Y322-Y353 HydrophobicContact CE1-CD1 4.28Å; Y322-Y353 AromaticContact CE1-CD2 3.78Å; Y322-Y353 HydrophobicContact CE1-CD2 3.78Å; Y322-Y353 HydrophobicContact CE1-CE1 4.01Å; Y322-Y353 AromaticContact CE1-CE2 3.45Å; Y322-Y353 HydrophobicContact CE1-CE2 3.45Å; Y322-Y353 VanDerWaalsContact CE1-CE2 3.45Å; Y322-Y353 HydrophobicContact CE1-CG 4.18Å; Y322-Y353 AromaticContact CE1-CZ 3.58Å; Y322-Y353 HydrophobicContact CE2-CE1 4.45Å; Y322-Y353 AromaticContact CZ-CE1 3.82Å; Y322-Y353 AromaticContact CZ-CZ 3.76Å; Y322-Y353 PolarHBondContact OH-OH 2.94Å; Q349-Y353 VanDerWaalsContact O-CD2 3.26Å; Q349-Y353 WeakPolarHBondContact O-CD2 3.39Å; Q349-Y353 PolarHBondContact O-N 3.15Å; Q349-Y353 VanDerWaalsContact O-N 3.11Å; M350-Y353 HydrophobicContact CE-CD2 3.87Å; M350-Y353 HydrophobicContact CE-CE2 4.06Å; M350-Y353 PolarHBondContact O-N 3.27Å |
| 354 | R | 90.2 | Very high | 91.2 | Very high | 107 Ų | 107 | 48 Ų | 48 | 40% | 0.404 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -5.8 | 175.9 | -70.1 | -178.3 | 171.5 | 178.2 | -1.1 | 114.7 | D323 F326 M350 Y351 I352 D356 | D323-R354 IonicContact OD1-CZ 3.85Å; D323-R354 IonicContact OD1-NE 3.59Å; D323-R354 IonicContact OD1-NH2 3.16Å; D323-R354 PolarHBondContact OD1-NH2 2.99Å; F326-R354 VanDerWaalsContact CE1-NH1 3.28Å; M350-R354 PolarHBondContact O-N 3.06Å; M350-R354 VanDerWaalsContact O-N 3.16Å; Y351-R354 PolarHBondContact O-N 3.03Å; I352-R354 PolarHBondContact O-N 3.25Å; R354-D356 VanDerWaalsContact C-N 3.31Å |
| 355 | G | 88.5 | Confident | 91.2 | Very high | 50 Ų | 50 | 49.9 Ų | 49.9 | 52% | 0.515 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 1.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y351 I352 K357 | Y351-G355 PolarHBondContact O-N 3.19Å; I352-G355 PolarHBondContact O-N 3.02Å; G355-K357 PolarHBondContact O-N 3.46Å |
| 356 | D | 90.9 | Very high | 91 | Very high | 68 Ų | 68 | 53 Ų | 53 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | trans | -74.1 | 58.4 | -179.7 | -75 | -33.3 | 0 | 0 | 0 | 112.4 | Y351 R354 E358 N359 A360 | Y351-D356 HydrophobicContact CD1-CB 3.58Å; Y351-D356 HydrophobicContact CE1-CB 4.47Å; Y351-D356 HydrophobicContact CG-CB 4.17Å; Y351-D356 PolarHBondContact O-N 3.3Å; R354-D356 VanDerWaalsContact C-N 3.31Å; D356-E358 PolarHBondContact O-N 3.27Å; D356-E358 VanDerWaalsContact O-N 3.1Å; D356-N359 HydrophobicContact CB-CB 4.42Å; D356-N359 PolarHBondContact O-N 3.14Å; D356-A360 PolarHBondContact O-N 2.93Å | ||
| 357 | K | 88.8 | Confident | 91 | Very high | 122 Ų | 122 | 52.9 Ų | 52.9 | 53% | 0.53 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -54.2 | -34.2 | -173.1 | -69.8 | -176.5 | -178.3 | -177.9 | 0 | 113.8 | G355 S361 L384 | G355-K357 PolarHBondContact O-N 3.46Å; K357-S361 PolarHBondContact O-N 2.93Å; K357-S361 VanDerWaalsContact O-N 3.14Å; K357-L384 HydrophobicContact CB-CD1 3.6Å; K357-L384 HydrophobicContact CD-CD1 4.16Å; K357-L384 HydrophobicContact CG-CD1 3.66Å |
| 358 | E | 89.2 | Confident | 90.7 | Very high | 132 Ų | 132 | 53.5 Ų | 53.5 | 62% | 0.617 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -67.7 | -51.6 | 178.8 | -176 | 165.4 | -159.4 | 0 | 0 | 112.2 | D356 A360 S361 Q362 | D356-E358 PolarHBondContact O-N 3.27Å; D356-E358 VanDerWaalsContact O-N 3.1Å; E358-A360 VanDerWaalsContact C-N 3.31Å; E358-A360 PolarHBondContact O-N 3.24Å; E358-S361 WeakPolarHBondContact O-CB 3.36Å; E358-S361 PolarHBondContact O-N 3.11Å; E358-S361 VanDerWaalsContact O-N 3.07Å; E358-S361 PolarHBondContact O-OG 2.86Å; E358-Q362 PolarHBondContact O-N 3.01Å |
| 359 | N | 90.1 | Very high | 90.5 | Very high | 61 Ų | 61 | 60.1 Ų | 60.1 | 33% | 0.326 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.8 | -36.9 | 179.1 | -69 | -40.8 | 0 | 0 | 0 | 111.9 | Y351 D356 S361 Q362 C363 | Y351-N359 HydrophobicContact CD1-CB 3.72Å; Y351-N359 HydrophobicContact CD2-CB 3.73Å; Y351-N359 HydrophobicContact CE1-CB 3.7Å; Y351-N359 HydrophobicContact CE2-CB 3.73Å; Y351-N359 HydrophobicContact CG-CB 3.74Å; D356-N359 HydrophobicContact CB-CB 4.42Å; D356-N359 PolarHBondContact O-N 3.14Å; N359-S361 VanDerWaalsContact C-N 3.34Å; N359-S361 PolarHBondContact O-N 3.09Å; N359-Q362 PolarHBondContact O-N 2.99Å; N359-C363 PolarHBondContact O-N 3.15Å; N359-C363 VanDerWaalsContact O-N 3.17Å; N359-C363 PolarHBondContact O-SG 3.01Å |
| 360 | A | 92.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.7 | -48.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G348 I352 D356 E358 Q362 C363 F364 L384 | G348-A360 WeakPolarHBondContact O-CB 3.32Å; I352-A360 HydrophobicContact CG1-CB 3.83Å; D356-A360 PolarHBondContact O-N 2.93Å; E358-A360 VanDerWaalsContact C-N 3.31Å; E358-A360 PolarHBondContact O-N 3.24Å; A360-Q362 PolarHBondContact O-N 2.64Å; A360-C363 PolarHBondContact O-N 3.43Å; A360-C363 VanDerWaalsContact O-N 3.14Å; A360-F364 HydrophobicContact CB-CD2 4.44Å; A360-F364 HydrophobicContact CB-CE2 4.2Å; A360-F364 WeakPolarHBondContact O-CD2 3.35Å; A360-F364 PolarHBondContact O-N 3.27Å; A360-L384 HydrophobicContact CB-CD2 3.93Å |
| 361 | S | 89.7 | Confident | 89.9 | Confident | 11 Ų | 11 | 65.9 Ų | 65.9 | 8% | 0.077 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | -177.4 | 78.9 | 0 | 0 | 0 | 0 | 112.6 | K357 E358 N359 C363 F364 E365 | K357-S361 PolarHBondContact O-N 2.93Å; K357-S361 VanDerWaalsContact O-N 3.14Å; E358-S361 WeakPolarHBondContact O-CB 3.36Å; E358-S361 PolarHBondContact O-N 3.11Å; E358-S361 VanDerWaalsContact O-N 3.07Å; E358-S361 PolarHBondContact O-OG 2.86Å; N359-S361 VanDerWaalsContact C-N 3.34Å; N359-S361 PolarHBondContact O-N 3.09Å; S361-C363 VanDerWaalsContact C-N 3.3Å; S361-C363 PolarHBondContact O-N 3.29Å; S361-F364 PolarHBondContact O-N 3.27Å; S361-E365 WeakPolarHBondContact O-CB 3.26Å; S361-E365 PolarHBondContact O-N 3.27Å |
| 362 | Q | 90.5 | Very high | 89.5 | Confident | 83 Ų | 83 | 68.5 Ų | 68.5 | 39% | 0.388 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.8 | -34.4 | 176.9 | -61.4 | 179.5 | 26.4 | 0 | 0 | 112.2 | E358 N359 A360 K366 | E358-Q362 PolarHBondContact O-N 3.01Å; N359-Q362 PolarHBondContact O-N 2.99Å; A360-Q362 PolarHBondContact O-N 2.64Å; Q362-K366 WeakPolarHBondContact O-CG 3.28Å; Q362-K366 PolarHBondContact O-N 3.22Å |
| 363 | C | 91.3 | Very high | 89.2 | Confident | 7 Ų | 7 | 70.8 Ų | 70.8 | 5% | 0.047 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.2 | -45.4 | 176.5 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | F344 N359 A360 S361 K366 V367 | F344-C363 WeakPolarHBondContact O-CB 3.43Å; N359-C363 PolarHBondContact O-N 3.15Å; N359-C363 VanDerWaalsContact O-N 3.17Å; N359-C363 PolarHBondContact O-SG 3.01Å; A360-C363 PolarHBondContact O-N 3.43Å; A360-C363 VanDerWaalsContact O-N 3.14Å; S361-C363 VanDerWaalsContact C-N 3.3Å; S361-C363 PolarHBondContact O-N 3.29Å; C363-K366 WeakPolarHBondContact O-CB 3.36Å; C363-K366 PolarHBondContact O-N 3.04Å; C363-V367 WeakPolarHBondContact O-CG2 3.43Å; C363-V367 PolarHBondContact O-N 3.08Å |
| 364 | F | 92.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.5 | -32.7 | 176.5 | -67.1 | -55.2 | 0 | 0 | 0 | 113.2 | F345 Q349 I352 A360 S361 K366 V367 L368 T377 I380 L381 L384 | F345-F364 AromaticContact CD2-CD1 3.99Å; F345-F364 HydrophobicContact CD2-CD1 3.99Å; F345-F364 AromaticContact CD2-CE1 3.67Å; F345-F364 HydrophobicContact CD2-CE1 3.67Å; F345-F364 HydrophobicContact CE2-CD1 4.44Å; F345-F364 AromaticContact CE2-CE1 3.97Å; F345-F364 HydrophobicContact CE2-CE1 3.97Å; F345-F364 HydrophobicContact CG-CE1 4.21Å; Q349-F364 HydrophobicContact CG-CZ 4.14Å; I352-F364 HydrophobicContact CD1-CE2 3.72Å; I352-F364 HydrophobicContact CD1-CZ 4.24Å; I352-F364 HydrophobicContact CG1-CE2 4.45Å; A360-F364 HydrophobicContact CB-CD2 4.44Å; A360-F364 HydrophobicContact CB-CE2 4.2Å; A360-F364 WeakPolarHBondContact O-CD2 3.35Å; A360-F364 PolarHBondContact O-N 3.27Å; S361-F364 PolarHBondContact O-N 3.27Å; F364-K366 VanDerWaalsContact C-N 3.35Å; F364-K366 PolarHBondContact O-N 3.36Å; F364-V367 WeakPolarHBondContact O-CA 3.49Å; F364-V367 WeakPolarHBondContact O-CB 3.42Å; F364-V367 PolarHBondContact O-N 3.13Å; F364-V367 VanDerWaalsContact O-N 3.08Å; F364-L368 PolarHBondContact O-N 3.17Å; F364-T377 HydrophobicContact CB-CG2 3.77Å; F364-T377 HydrophobicContact CD1-CG2 3.96Å; F364-T377 HydrophobicContact CG-CG2 4.25Å; F364-T377 WeakPolarHBondContact O-CG2 3.24Å; F364-I380 HydrophobicContact CD2-CG2 3.91Å; F364-I380 HydrophobicContact CE1-CD1 4.46Å; F364-I380 HydrophobicContact CE1-CG2 4.49Å; F364-I380 HydrophobicContact CE2-CG2 3.5Å; F364-I380 VanDerWaalsContact CE2-CG2 3.5Å; F364-I380 HydrophobicContact CZ-CD1 4.36Å; F364-I380 HydrophobicContact CZ-CG2 3.81Å; F364-L381 HydrophobicContact CB-CD1 4.31Å; F364-L384 HydrophobicContact CD2-CD2 4.41Å |
| 365 | E | 90.9 | Very high | 89 | Confident | 79 Ų | 79 | 64.2 Ų | 64.2 | 37% | 0.369 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 173.2 | -161 | -138.3 | 175.7 | 0 | 0 | 111.8 | S361 V367 L368 K369 | S361-E365 WeakPolarHBondContact O-CB 3.26Å; S361-E365 PolarHBondContact O-N 3.27Å; E365-V367 VanDerWaalsContact C-N 3.3Å; E365-V367 PolarHBondContact O-N 3.07Å; E365-L368 PolarHBondContact O-N 2.88Å; E365-K369 WeakPolarHBondContact O-CG 3.49Å; E365-K369 PolarHBondContact O-N 2.52Å; E365-K369 WeakPolarHBondContact OE1-CE 3.38Å; E365-K369 IonicContact OE1-NZ 2.66Å; E365-K369 PolarHBondContact OE1-NZ 3.4Å; E365-K369 IonicContact OE2-NZ 2.77Å; E365-K369 PolarHBondContact OE2-NZ 2.91Å |
| 366 | K | 89.3 | Confident | 88.8 | Confident | 96 Ų | 96 | 67 Ų | 67 | 42% | 0.417 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.7 | -36.8 | 170 | -68.7 | 165 | -172.4 | 170.3 | 0 | 111.9 | F344 Q362 C363 F364 K369 A370 | F344-K366 HydrophobicContact CD1-CD 3.97Å; F344-K366 HydrophobicContact CE1-CD 4.06Å; Q362-K366 WeakPolarHBondContact O-CG 3.28Å; Q362-K366 PolarHBondContact O-N 3.22Å; C363-K366 WeakPolarHBondContact O-CB 3.36Å; C363-K366 PolarHBondContact O-N 3.04Å; F364-K366 VanDerWaalsContact C-N 3.35Å; F364-K366 PolarHBondContact O-N 3.36Å; K366-K369 PolarHBondContact O-N 3.35Å; K366-A370 PolarHBondContact O-N 3.45Å |
| 367 | V | 90.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 175.1 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | V341 F344 F345 C363 F364 E365 K369 A370 Y371 T377 | V341-V367 HydrophobicContact CG2-CB 4.17Å; V341-V367 HydrophobicContact CG2-CG1 4.27Å; V341-V367 HydrophobicContact CG2-CG2 4.03Å; F344-V367 HydrophobicContact CB-CG2 3.91Å; F345-V367 HydrophobicContact CB-CG2 4Å; C363-V367 WeakPolarHBondContact O-CG2 3.43Å; C363-V367 PolarHBondContact O-N 3.08Å; F364-V367 WeakPolarHBondContact O-CA 3.49Å; F364-V367 WeakPolarHBondContact O-CB 3.42Å; F364-V367 PolarHBondContact O-N 3.13Å; F364-V367 VanDerWaalsContact O-N 3.08Å; E365-V367 VanDerWaalsContact C-N 3.3Å; E365-V367 PolarHBondContact O-N 3.07Å; V367-K369 VanDerWaalsContact C-N 3.34Å; V367-K369 PolarHBondContact O-N 3.27Å; V367-A370 PolarHBondContact O-N 2.72Å; V367-Y371 PolarHBondContact O-N 3.38Å; V367-T377 HydrophobicContact CB-CG2 3.93Å; V367-T377 HydrophobicContact CG1-CG2 3.95Å; V367-T377 WeakPolarHBondContact CG1-OG1 3.4Å |
| 368 | L | 88.3 | Confident | 88.7 | Confident | 18 Ų | 18 | 58 Ų | 58 | 9% | 0.094 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.4 | -30.9 | 177.7 | -65.1 | -178.6 | 0 | 0 | 0 | 113.4 | F364 E365 A370 Y371 P372 N374 T377 M378 L381 H400 | F364-L368 PolarHBondContact O-N 3.17Å; E365-L368 PolarHBondContact O-N 2.88Å; L368-A370 PolarHBondContact O-N 3.14Å; L368-Y371 CarbonylContact O-C 3.43Å; L368-Y371 VanDerWaalsContact O-C 3.3Å; L368-Y371 PolarHBondContact O-N 3.43Å; L368-P372 VanDerWaalsContact O-CA 3.23Å; L368-P372 WeakPolarHBondContact O-CA 3.46Å; L368-P372 WeakPolarHBondContact O-CD 3.26Å; L368-P372 WeakPolarHBondContact O-CG 3.42Å; L368-P372 VanDerWaalsContact O-N 3.08Å; L368-N374 HydrophobicContact CD2-CB 4.36Å; L368-T377 HydrophobicContact CD1-CG2 4.28Å; L368-T377 HydrophobicContact CD2-CG2 3.58Å; L368-T377 HydrophobicContact CG-CG2 3.57Å; L368-M378 HydrophobicContact CD1-CG 4.05Å; L368-M378 HydrophobicContact CD2-CG 3.63Å; L368-L381 HydrophobicContact CD1-CD2 3.6Å; L368-H400 VanDerWaalsContact CD1-CE1 3.49Å; L368-H400 WeakPolarHBondContact CD1-CE1 3.44Å |
| 369 | K | 89.4 | Confident | 88.7 | Confident | 139 Ų | 139 | 53.5 Ų | 53.5 | 60% | 0.604 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.6 | -31.6 | 173.4 | -77.1 | 165 | 178.5 | 167.3 | 0 | 112.7 | E365 K366 V367 | E365-K369 WeakPolarHBondContact O-CG 3.49Å; E365-K369 PolarHBondContact O-N 2.52Å; E365-K369 WeakPolarHBondContact OE1-CE 3.38Å; E365-K369 IonicContact OE1-NZ 2.66Å; E365-K369 PolarHBondContact OE1-NZ 3.4Å; E365-K369 IonicContact OE2-NZ 2.77Å; E365-K369 PolarHBondContact OE2-NZ 2.91Å; K366-K369 PolarHBondContact O-N 3.35Å; V367-K369 VanDerWaalsContact C-N 3.34Å; V367-K369 PolarHBondContact O-N 3.27Å |
| 370 | A | 86.7 | Confident | 88.6 | Confident | 51 Ų | 51 | 52.7 Ų | 52.7 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -88.6 | -36.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V341 K366 V367 L368 | V341-A370 HydrophobicContact CB-CB 4.45Å; V341-A370 HydrophobicContact CG2-CB 3.86Å; K366-A370 PolarHBondContact O-N 3.45Å; V367-A370 PolarHBondContact O-N 2.72Å; L368-A370 PolarHBondContact O-N 3.14Å |
| 371 | Y | 85.3 | Confident | 88.4 | Confident | 126 Ų | 126 | 52.8 Ų | 52.8 | 49% | 0.494 | 26% | 0.26 | S | S | . | . | trans | -133 | 80.8 | -177.4 | -62.7 | -87.8 | 0 | 0 | 0 | 111.4 | V341 V367 L368 N373 N374 | V341-Y371 HydrophobicContact CB-CD2 4.25Å; V341-Y371 HydrophobicContact CB-CE2 3.94Å; V341-Y371 HydrophobicContact CG1-CD2 3.75Å; V341-Y371 HydrophobicContact CG1-CE2 3.53Å; V341-Y371 HydrophobicContact CG2-CD2 4.38Å; V341-Y371 HydrophobicContact CG2-CE2 4.5Å; V367-Y371 PolarHBondContact O-N 3.38Å; L368-Y371 CarbonylContact O-C 3.43Å; L368-Y371 VanDerWaalsContact O-C 3.3Å; L368-Y371 PolarHBondContact O-N 3.43Å; Y371-N373 PolarHBondContact O-N 2.91Å; Y371-N374 PolarHBondContact O-N 2.98Å | ||
| 372 | P | 86.1 | Confident | 88.3 | Confident | 82 Ų | 82 | 52.2 Ų | 52.2 | 53% | 0.532 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -16.9 | -172.3 | -26.8 | 35.4 | 0 | 0 | 0 | 115.9 | L368 | L368-P372 VanDerWaalsContact O-CA 3.23Å; L368-P372 WeakPolarHBondContact O-CA 3.46Å; L368-P372 WeakPolarHBondContact O-CD 3.26Å; L368-P372 WeakPolarHBondContact O-CG 3.42Å; L368-P372 VanDerWaalsContact O-N 3.08Å |
| 373 | N | 85 | Confident | 88.1 | Confident | 121 Ų | 121 | 50.5 Ų | 50.5 | 65% | 0.647 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 19.5 | -178.8 | -64.6 | -4.5 | 0 | 0 | 0 | 112.7 | Y371 Y375 | Y371-N373 PolarHBondContact O-N 2.91Å; N373-Y375 PolarHBondContact O-N 2.85Å; N373-Y375 VanDerWaalsContact O-N 3.08Å |
| 374 | N | 88 | Confident | 87.9 | Confident | 46 Ų | 46 | 51 Ų | 51 | 25% | 0.246 | 26% | 0.256 | C | S | . | . | trans | -70.9 | 103.9 | 172.6 | -175.5 | -31.1 | 0 | 0 | 0 | 110.1 | L368 Y371 E376 T377 M378 | L368-N374 HydrophobicContact CD2-CB 4.36Å; Y371-N374 PolarHBondContact O-N 2.98Å; N374-E376 PolarHBondContact OD1-N 3.38Å; N374-E376 VanDerWaalsContact OD1-N 3.13Å; N374-T377 PolarHBondContact ND2-OG1 3.01Å; N374-T377 VanDerWaalsContact ND2-OG1 3.14Å; N374-T377 PolarHBondContact O-N 2.62Å; N374-T377 PolarHBondContact OD1-N 3.43Å; N374-T377 VanDerWaalsContact OD1-N 3.1Å; N374-T377 PolarHBondContact OD1-OG1 3.3Å; N374-M378 WeakPolarHBondContact O-CG 3.27Å; N374-M378 PolarHBondContact O-N 3.21Å | ||
| 375 | Y | 85.6 | Confident | 87.7 | Confident | 56 Ų | 56 | 52.2 Ų | 52.2 | 22% | 0.22 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -52.2 | -52.9 | 178.3 | 162.8 | -99.3 | 0 | 0 | 0 | 113.4 | N373 T377 M378 K379 V404 Y408 D411 | N373-Y375 PolarHBondContact O-N 2.85Å; N373-Y375 VanDerWaalsContact O-N 3.08Å; Y375-T377 VanDerWaalsContact C-N 3.3Å; Y375-T377 PolarHBondContact O-N 3.16Å; Y375-M378 PolarHBondContact O-N 3.14Å; Y375-M378 VanDerWaalsContact O-N 3.16Å; Y375-K379 PolarHBondContact O-N 3.23Å; Y375-V404 HydrophobicContact CD2-CB 4.48Å; Y375-V404 HydrophobicContact CD2-CG1 3.86Å; Y375-V404 HydrophobicContact CD2-CG2 4.45Å; Y375-V404 HydrophobicContact CE2-CG1 3.54Å; Y375-Y408 HydrophobicContact CD1-CD2 4.46Å; Y375-Y408 HydrophobicContact CD1-CE2 4.36Å; Y375-Y408 AromaticContact CD2-CD2 3.26Å; Y375-Y408 HydrophobicContact CD2-CD2 3.26Å; Y375-Y408 AromaticContact CD2-CE2 3.73Å; Y375-Y408 HydrophobicContact CD2-CE2 3.73Å; Y375-Y408 HydrophobicContact CD2-CG 4.16Å; Y375-Y408 AromaticContact CE2-CD2 3.4Å; Y375-Y408 HydrophobicContact CE2-CD2 3.4Å; Y375-Y408 VanDerWaalsContact CE2-CD2 3.4Å; Y375-Y408 HydrophobicContact CE2-CE2 4.2Å; Y375-Y408 AromaticContact CE2-CG 3.83Å; Y375-Y408 HydrophobicContact CE2-CG 3.83Å; Y375-Y408 AromaticContact CG-CD2 3.82Å; Y375-Y408 HydrophobicContact CG-CD2 3.82Å; Y375-Y408 AromaticContact CG-CE2 3.79Å; Y375-Y408 HydrophobicContact CG-CE2 3.79Å; Y375-D411 WeakPolarHBondContact OH-CB 3.49Å; Y375-D411 PolarHBondContact OH-OD2 3.44Å |
| 376 | E | 84.8 | Confident | 87.3 | Confident | 109 Ų | 109 | 49.2 Ų | 49.2 | 51% | 0.509 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.1 | -43.7 | -177.6 | -62 | 173 | -171.1 | 0 | 0 | 110.7 | F345 N374 K379 I380 | F345-E376 HydrophobicContact CE2-CB 4.17Å; F345-E376 HydrophobicContact CZ-CB 4.13Å; F345-E376 WeakPolarHBondContact CZ-OE2 3.39Å; N374-E376 PolarHBondContact OD1-N 3.38Å; N374-E376 VanDerWaalsContact OD1-N 3.13Å; E376-K379 PolarHBondContact O-N 3.25Å; E376-I380 WeakPolarHBondContact O-CB 3.35Å; E376-I380 VanDerWaalsContact O-CG1 3.27Å; E376-I380 WeakPolarHBondContact O-CG1 3.4Å; E376-I380 PolarHBondContact O-N 3.12Å |
| 377 | T | 88.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 178.6 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | F345 F364 V367 L368 N374 Y375 L381 | F345-T377 WeakPolarHBondContact CD2-OG1 3.5Å; F345-T377 WeakPolarHBondContact CE2-OG1 3.21Å; F364-T377 HydrophobicContact CB-CG2 3.77Å; F364-T377 HydrophobicContact CD1-CG2 3.96Å; F364-T377 HydrophobicContact CG-CG2 4.25Å; F364-T377 WeakPolarHBondContact O-CG2 3.24Å; V367-T377 HydrophobicContact CB-CG2 3.93Å; V367-T377 HydrophobicContact CG1-CG2 3.95Å; V367-T377 WeakPolarHBondContact CG1-OG1 3.4Å; L368-T377 HydrophobicContact CD1-CG2 4.28Å; L368-T377 HydrophobicContact CD2-CG2 3.58Å; L368-T377 HydrophobicContact CG-CG2 3.57Å; N374-T377 PolarHBondContact ND2-OG1 3.01Å; N374-T377 VanDerWaalsContact ND2-OG1 3.14Å; N374-T377 PolarHBondContact O-N 2.62Å; N374-T377 PolarHBondContact OD1-N 3.43Å; N374-T377 VanDerWaalsContact OD1-N 3.1Å; N374-T377 PolarHBondContact OD1-OG1 3.3Å; Y375-T377 VanDerWaalsContact C-N 3.3Å; Y375-T377 PolarHBondContact O-N 3.16Å; T377-L381 WeakPolarHBondContact O-CB 3.42Å; T377-L381 PolarHBondContact O-N 2.93Å |
| 378 | M | 89.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.6 | -34.8 | 176 | -73.8 | -165.4 | -71.1 | 0 | 0 | 112.9 | L368 N374 Y375 G382 H400 K403 V404 | L368-M378 HydrophobicContact CD1-CG 4.05Å; L368-M378 HydrophobicContact CD2-CG 3.63Å; N374-M378 WeakPolarHBondContact O-CG 3.27Å; N374-M378 PolarHBondContact O-N 3.21Å; Y375-M378 PolarHBondContact O-N 3.14Å; Y375-M378 VanDerWaalsContact O-N 3.16Å; M378-G382 WeakPolarHBondContact O-CA 3.44Å; M378-G382 PolarHBondContact O-N 3.45Å; M378-H400 HydrophobicContact CB-CB 4.14Å; M378-H400 HydrophobicContact CG-CB 4.47Å; M378-H400 WeakPolarHBondContact CG-ND1 3.42Å; M378-K403 HydrophobicContact CE-CB 4.4Å; M378-K403 HydrophobicContact SD-CB 4.28Å; M378-K403 HydrophobicContact SD-CD 4.06Å; M378-V404 HydrophobicContact CB-CG2 3.66Å |
| 379 | K | 88.5 | Confident | 85.9 | Confident | 38 Ų | 38 | 57 Ų | 57 | 17% | 0.165 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66 | -52 | 174.2 | -179.1 | 174.3 | 177.6 | 171.5 | 0 | 110.9 | Y375 E376 G382 S383 V404 D411 E413 | Y375-K379 PolarHBondContact O-N 3.23Å; E376-K379 PolarHBondContact O-N 3.25Å; K379-G382 PolarHBondContact O-N 3.36Å; K379-S383 PolarHBondContact O-N 3.29Å; K379-V404 HydrophobicContact CB-CG1 4.34Å; K379-V404 HydrophobicContact CB-CG2 4.39Å; K379-D411 WeakPolarHBondContact CD-OD2 3.4Å; K379-D411 VanDerWaalsContact CE-OD2 3.23Å; K379-D411 WeakPolarHBondContact CE-OD2 3.32Å; K379-D411 VanDerWaalsContact NZ-CG 3.25Å; K379-D411 IonicContact NZ-OD1 2.91Å; K379-D411 PolarHBondContact NZ-OD1 3.04Å; K379-D411 IonicContact NZ-OD2 2.78Å; K379-D411 PolarHBondContact NZ-OD2 3.37Å; K379-E413 VanDerWaalsContact CE-OE2 3.27Å; K379-E413 WeakPolarHBondContact CE-OE2 3.49Å; K379-E413 IonicContact NZ-OE2 2.64Å; K379-E413 PolarHBondContact NZ-OE2 3.2Å |
| 380 | I | 89.3 | Confident | 85.6 | Confident | 44 Ų | 44 | 54.3 Ų | 54.3 | 23% | 0.226 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.4 | -48.9 | 179.5 | -65.6 | 165.3 | 0 | 0 | 0 | 110.8 | F345 I352 F364 E376 G382 S383 L384 | F345-I380 HydrophobicContact CE2-CD1 4.28Å; F345-I380 HydrophobicContact CZ-CD1 4.25Å; I352-I380 HydrophobicContact CD1-CG2 3.49Å; I352-I380 VanDerWaalsContact CD1-CG2 3.49Å; F364-I380 HydrophobicContact CD2-CG2 3.91Å; F364-I380 HydrophobicContact CE1-CD1 4.46Å; F364-I380 HydrophobicContact CE1-CG2 4.49Å; F364-I380 HydrophobicContact CE2-CG2 3.5Å; F364-I380 VanDerWaalsContact CE2-CG2 3.5Å; F364-I380 HydrophobicContact CZ-CD1 4.36Å; F364-I380 HydrophobicContact CZ-CG2 3.81Å; E376-I380 WeakPolarHBondContact O-CB 3.35Å; E376-I380 VanDerWaalsContact O-CG1 3.27Å; E376-I380 WeakPolarHBondContact O-CG1 3.4Å; E376-I380 PolarHBondContact O-N 3.12Å; I380-G382 VanDerWaalsContact C-N 3.28Å; I380-G382 PolarHBondContact O-N 3.37Å; I380-S383 PolarHBondContact O-N 3.46Å; I380-L384 WeakPolarHBondContact O-CB 3.44Å; I380-L384 PolarHBondContact O-N 3.04Å |
| 381 | L | 88.1 | Confident | 85.4 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.7 | -33 | 178.3 | -169.3 | 64.2 | 0 | 0 | 0 | 112.1 | F364 L368 T377 L384 Y385 | F364-L381 HydrophobicContact CB-CD1 4.31Å; L368-L381 HydrophobicContact CD1-CD2 3.6Å; T377-L381 WeakPolarHBondContact O-CB 3.42Å; T377-L381 PolarHBondContact O-N 2.93Å; L381-L384 HydrophobicContact CD1-CD2 4.34Å; L381-Y385 HydrophobicContact CD1-CD1 4.34Å; L381-Y385 HydrophobicContact CD1-CD2 4.19Å; L381-Y385 HydrophobicContact CD1-CE1 3.92Å; L381-Y385 HydrophobicContact CD1-CE2 3.74Å; L381-Y385 HydrophobicContact CD1-CG 4.46Å; L381-Y385 HydrophobicContact CD2-CE2 3.96Å; L381-Y385 HydrophobicContact CG-CD2 3.95Å; L381-Y385 HydrophobicContact CG-CE2 3.69Å; L381-Y385 WeakPolarHBondContact O-CB 3.47Å; L381-Y385 PolarHBondContact O-N 2.98Å |
| 382 | G | 86.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.2 | -54.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M378 K379 I380 Y385 A386 A397 | M378-G382 WeakPolarHBondContact O-CA 3.44Å; M378-G382 PolarHBondContact O-N 3.45Å; K379-G382 PolarHBondContact O-N 3.36Å; I380-G382 VanDerWaalsContact C-N 3.28Å; I380-G382 PolarHBondContact O-N 3.37Å; G382-Y385 PolarHBondContact O-N 2.94Å; G382-A386 WeakPolarHBondContact O-CB 3.47Å; G382-A386 PolarHBondContact O-N 3.07Å; G382-A397 WeakPolarHBondContact O-CB 3.21Å |
| 383 | S | 85.8 | Confident | 85.4 | Confident | 47 Ų | 47 | 56.9 Ų | 56.9 | 33% | 0.329 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 177.1 | -173.4 | 0 | 0 | 0 | 0 | 112.7 | K379 I380 Y385 A386 A387 E417 | K379-S383 PolarHBondContact O-N 3.29Å; I380-S383 PolarHBondContact O-N 3.46Å; S383-Y385 VanDerWaalsContact C-N 3.29Å; S383-Y385 PolarHBondContact O-N 3.03Å; S383-A386 WeakPolarHBondContact O-CB 3.13Å; S383-A386 PolarHBondContact O-N 3.4Å; S383-A387 PolarHBondContact O-N 3Å; S383-E417 VanDerWaalsContact CA-OE2 3.23Å; S383-E417 WeakPolarHBondContact CA-OE2 3.32Å; S383-E417 WeakPolarHBondContact CB-OE2 3.19Å; S383-E417 PolarHBondContact OG-OE2 3Å |
| 384 | L | 87.4 | Confident | 85.3 | Confident | 16 Ų | 16 | 53.6 Ų | 53.6 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61 | -37.9 | 179 | -167.9 | 61.7 | 0 | 0 | 0 | 112.7 | K357 A360 F364 I380 L381 S388 | K357-L384 HydrophobicContact CB-CD1 3.6Å; K357-L384 HydrophobicContact CD-CD1 4.16Å; K357-L384 HydrophobicContact CG-CD1 3.66Å; A360-L384 HydrophobicContact CB-CD2 3.93Å; F364-L384 HydrophobicContact CD2-CD2 4.41Å; I380-L384 WeakPolarHBondContact O-CB 3.44Å; I380-L384 PolarHBondContact O-N 3.04Å; L381-L384 HydrophobicContact CD1-CD2 4.34Å; L384-S388 PolarHBondContact O-OG 3.19Å |
| 385 | Y | 88 | Confident | 85.2 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 10% | 0.102 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -84.1 | -20.5 | 172.8 | -72.2 | -15.6 | 0 | 0 | 0 | 113.7 | L381 G382 S383 A387 S388 K393 R394 I396 | L381-Y385 HydrophobicContact CD1-CD1 4.34Å; L381-Y385 HydrophobicContact CD1-CD2 4.19Å; L381-Y385 HydrophobicContact CD1-CE1 3.92Å; L381-Y385 HydrophobicContact CD1-CE2 3.74Å; L381-Y385 HydrophobicContact CD1-CG 4.46Å; L381-Y385 HydrophobicContact CD2-CE2 3.96Å; L381-Y385 HydrophobicContact CG-CD2 3.95Å; L381-Y385 HydrophobicContact CG-CE2 3.69Å; L381-Y385 WeakPolarHBondContact O-CB 3.47Å; L381-Y385 PolarHBondContact O-N 2.98Å; G382-Y385 PolarHBondContact O-N 2.94Å; S383-Y385 VanDerWaalsContact C-N 3.29Å; S383-Y385 PolarHBondContact O-N 3.03Å; Y385-A387 VanDerWaalsContact C-N 3.32Å; Y385-A387 PolarHBondContact O-N 3.18Å; Y385-S388 WeakPolarHBondContact O-CB 3.49Å; Y385-S388 PolarHBondContact O-N 2.81Å; Y385-K393 WeakPolarHBondContact CB-O 3.32Å; Y385-K393 HydrophobicContact CD1-CB 3.94Å; Y385-K393 HydrophobicContact CD1-CD 3.95Å; Y385-K393 HydrophobicContact CD1-CG 4.06Å; Y385-K393 HydrophobicContact CD2-CB 4.37Å; Y385-K393 HydrophobicContact CE1-CB 4.49Å; Y385-K393 HydrophobicContact CE1-CD 4.02Å; Y385-K393 HydrophobicContact CE1-CG 4.15Å; Y385-K393 HydrophobicContact CG-CB 3.87Å; Y385-K393 HydrophobicContact CG-CG 4.41Å; Y385-R394 WeakPolarHBondContact O-CG 3.36Å; Y385-I396 HydrophobicContact CD2-CB 4.31Å; Y385-I396 HydrophobicContact CD2-CG2 3.92Å; Y385-I396 HydrophobicContact CE2-CB 4.49Å; Y385-I396 HydrophobicContact CE2-CG2 3.85Å |
| 386 | A | 82.4 | Confident | 85.3 | Confident | 17 Ų | 17 | 56.3 Ų | 56.3 | 14% | 0.14 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.8 | -45.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G382 S383 S388 R394 I421 | G382-A386 WeakPolarHBondContact O-CB 3.47Å; G382-A386 PolarHBondContact O-N 3.07Å; S383-A386 WeakPolarHBondContact O-CB 3.13Å; S383-A386 PolarHBondContact O-N 3.4Å; A386-S388 VanDerWaalsContact C-N 3.26Å; A386-S388 PolarHBondContact O-N 2.93Å; A386-R394 WeakPolarHBondContact O-CD 3.27Å; A386-I421 HydrophobicContact CB-CD1 3.5Å; A386-I421 VanDerWaalsContact CB-CD1 3.5Å; A386-I421 HydrophobicContact CB-CG1 3.48Å; A386-I421 VanDerWaalsContact CB-CG1 3.48Å |
| 387 | A | 79.5 | Confident | 85.5 | Confident | 72 Ų | 72 | 51.1 Ų | 51.1 | 60% | 0.595 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 4.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S383 Y385 | S383-A387 PolarHBondContact O-N 3Å; Y385-A387 VanDerWaalsContact C-N 3.32Å; Y385-A387 PolarHBondContact O-N 3.18Å |
| 388 | S | 82.3 | Confident | 85.4 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 19% | 0.189 | 27% | 0.27 | C | S | . | . | trans | -88.5 | 135.2 | 177.5 | -65.5 | 0 | 0 | 0 | 0 | 111.2 | L384 Y385 A386 D390 R394 | L384-S388 PolarHBondContact O-OG 3.19Å; Y385-S388 WeakPolarHBondContact O-CB 3.49Å; Y385-S388 PolarHBondContact O-N 2.81Å; A386-S388 VanDerWaalsContact C-N 3.26Å; A386-S388 PolarHBondContact O-N 2.93Å; S388-D390 PolarHBondContact O-N 2.97Å; S388-R394 VanDerWaalsContact O-CD 3.3Å; S388-R394 WeakPolarHBondContact O-CD 3.29Å; S388-R394 WeakPolarHBondContact O-CG 3.28Å; S388-R394 PolarHBondContact O-NE 3.42Å | ||
| 389 | E | 76.8 | Confident | 85.4 | Confident | 178 Ų | 178 | 53.7 Ų | 53.7 | 83% | 0.832 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -63.1 | -30.7 | 176.7 | -63.7 | -166.6 | 161.3 | 0 | 0 | 112.4 | Q391 R394 | E389-Q391 PolarHBondContact O-N 2.76Å; E389-R394 PolarHBondContact O-NH2 3.49Å |
| 390 | D | 83.7 | Confident | 85.4 | Confident | 83 Ų | 83 | 53.3 Ų | 53.3 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | trans | -58.9 | 120.6 | -179.2 | -58.7 | -53.1 | 0 | 0 | 0 | 113.2 | S388 E392 K393 R394 | S388-D390 PolarHBondContact O-N 2.97Å; D390-E392 VanDerWaalsContact C-N 3.29Å; D390-E392 PolarHBondContact O-N 2.72Å; D390-K393 HydrophobicContact CB-CB 4.06Å; D390-K393 HydrophobicContact CB-CD 3.94Å; D390-K393 HydrophobicContact CB-CG 3.92Å; D390-K393 PolarHBondContact O-N 3.47Å; D390-K393 VanDerWaalsContact OD2-CD 3.31Å; D390-K393 WeakPolarHBondContact OD2-CD 3.46Å; D390-K393 WeakPolarHBondContact OD2-CE 3.41Å; D390-K393 IonicContact OD2-NZ 2.68Å; D390-K393 PolarHBondContact OD2-NZ 3.37Å; D390-R394 PolarHBondContact O-N 2.81Å; D390-R394 VanDerWaalsContact O-N 3.08Å | ||
| 391 | Q | 82.2 | Confident | 85.4 | Confident | 86 Ų | 86 | 51.2 Ų | 51.2 | 40% | 0.402 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.1 | -39.4 | 177.4 | -177.6 | 60.2 | 50 | 0 | 0 | 112.3 | E389 R394 D395 | E389-Q391 PolarHBondContact O-N 2.76Å; Q391-R394 PolarHBondContact O-N 3Å; Q391-D395 VanDerWaalsContact NE2-CG 3.29Å; Q391-D395 PolarHBondContact NE2-OD1 3.24Å; Q391-D395 PolarHBondContact NE2-OD2 3.24Å; Q391-D395 PolarHBondContact O-N 2.87Å |
| 392 | E | 85.6 | Confident | 85.4 | Confident | 162 Ų | 162 | 56 Ų | 56 | 76% | 0.757 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.4 | -44.2 | -179.9 | -61.3 | -170.6 | 167.5 | 0 | 0 | 111.9 | D390 R394 D395 I396 | D390-E392 VanDerWaalsContact C-N 3.29Å; D390-E392 PolarHBondContact O-N 2.72Å; E392-R394 VanDerWaalsContact C-N 3.34Å; E392-R394 PolarHBondContact O-N 2.88Å; E392-D395 PolarHBondContact O-N 3.05Å; E392-I396 WeakPolarHBondContact O-CG1 3.44Å; E392-I396 PolarHBondContact O-N 2.98Å |
| 393 | K | 85.4 | Confident | 85.5 | Confident | 66 Ų | 66 | 60.6 Ų | 60.6 | 29% | 0.287 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 173.9 | -67.5 | 179.7 | -173.2 | 154.9 | 0 | 110.4 | Y385 D390 D395 I396 A397 | Y385-K393 WeakPolarHBondContact CB-O 3.32Å; Y385-K393 HydrophobicContact CD1-CB 3.94Å; Y385-K393 HydrophobicContact CD1-CD 3.95Å; Y385-K393 HydrophobicContact CD1-CG 4.06Å; Y385-K393 HydrophobicContact CD2-CB 4.37Å; Y385-K393 HydrophobicContact CE1-CB 4.49Å; Y385-K393 HydrophobicContact CE1-CD 4.02Å; Y385-K393 HydrophobicContact CE1-CG 4.15Å; Y385-K393 HydrophobicContact CG-CB 3.87Å; Y385-K393 HydrophobicContact CG-CG 4.41Å; D390-K393 HydrophobicContact CB-CB 4.06Å; D390-K393 HydrophobicContact CB-CD 3.94Å; D390-K393 HydrophobicContact CB-CG 3.92Å; D390-K393 PolarHBondContact O-N 3.47Å; D390-K393 VanDerWaalsContact OD2-CD 3.31Å; D390-K393 WeakPolarHBondContact OD2-CD 3.46Å; D390-K393 WeakPolarHBondContact OD2-CE 3.41Å; D390-K393 IonicContact OD2-NZ 2.68Å; D390-K393 PolarHBondContact OD2-NZ 3.37Å; K393-D395 VanDerWaalsContact C-N 3.34Å; K393-D395 PolarHBondContact O-N 3.42Å; K393-I396 WeakPolarHBondContact O-CB 3.4Å; K393-I396 PolarHBondContact O-N 3.02Å; K393-A397 WeakPolarHBondContact O-CB 3.41Å; K393-A397 PolarHBondContact O-N 2.87Å |
| 394 | R | 84.8 | Confident | 85.7 | Confident | 52 Ų | 52 | 58.3 Ų | 58.3 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.3 | -30.2 | 177.4 | -77.4 | -169 | -86.6 | 172.2 | -4.1 | 114.1 | Y385 A386 S388 E389 D390 Q391 E392 A397 K398 I421 | Y385-R394 WeakPolarHBondContact O-CG 3.36Å; A386-R394 WeakPolarHBondContact O-CD 3.27Å; S388-R394 VanDerWaalsContact O-CD 3.3Å; S388-R394 WeakPolarHBondContact O-CD 3.29Å; S388-R394 WeakPolarHBondContact O-CG 3.28Å; S388-R394 PolarHBondContact O-NE 3.42Å; E389-R394 PolarHBondContact O-NH2 3.49Å; D390-R394 PolarHBondContact O-N 2.81Å; D390-R394 VanDerWaalsContact O-N 3.08Å; Q391-R394 PolarHBondContact O-N 3Å; E392-R394 VanDerWaalsContact C-N 3.34Å; E392-R394 PolarHBondContact O-N 2.88Å; R394-A397 WeakPolarHBondContact O-CB 3.49Å; R394-K398 WeakPolarHBondContact O-CG 3.49Å; R394-K398 PolarHBondContact O-N 3.5Å; R394-K398 VanDerWaalsContact O-N 3.1Å; R394-I421 HydrophobicContact CB-CG2 4.1Å; R394-I421 HydrophobicContact CG-CG2 4.35Å |
| 395 | D | 85.8 | Confident | 85.8 | Confident | 77 Ų | 77 | 58.1 Ų | 58.1 | 41% | 0.412 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -78.4 | -31.9 | 173.3 | -70.9 | -37.4 | 0 | 0 | 0 | 112.6 | Q391 E392 K393 K398 G399 | Q391-D395 VanDerWaalsContact NE2-CG 3.29Å; Q391-D395 PolarHBondContact NE2-OD1 3.24Å; Q391-D395 PolarHBondContact NE2-OD2 3.24Å; Q391-D395 PolarHBondContact O-N 2.87Å; E392-D395 PolarHBondContact O-N 3.05Å; K393-D395 VanDerWaalsContact C-N 3.34Å; K393-D395 PolarHBondContact O-N 3.42Å; D395-K398 WeakPolarHBondContact OD1-CD 3.44Å; D395-K398 WeakPolarHBondContact OD1-CE 3.14Å; D395-K398 IonicContact OD1-NZ 2.8Å; D395-K398 PolarHBondContact OD1-NZ 2.9Å; D395-G399 PolarHBondContact O-N 3.31Å; D395-G399 VanDerWaalsContact O-N 3.14Å |
| 396 | I | 87.8 | Confident | 85.8 | Confident | 82 Ų | 82 | 63.8 Ų | 63.8 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 166.3 | -66.6 | 163.7 | 0 | 0 | 0 | 110.6 | Y385 E392 K393 G399 H400 | Y385-I396 HydrophobicContact CD2-CB 4.31Å; Y385-I396 HydrophobicContact CD2-CG2 3.92Å; Y385-I396 HydrophobicContact CE2-CB 4.49Å; Y385-I396 HydrophobicContact CE2-CG2 3.85Å; E392-I396 WeakPolarHBondContact O-CG1 3.44Å; E392-I396 PolarHBondContact O-N 2.98Å; K393-I396 WeakPolarHBondContact O-CB 3.4Å; K393-I396 PolarHBondContact O-N 3.02Å; I396-G399 CarbonylContact O-C 3.5Å; I396-G399 WeakPolarHBondContact O-CA 3.47Å; I396-G399 PolarHBondContact O-N 3.42Å; I396-H400 PolarHBondContact O-CD2 2.96Å; I396-H400 VanDerWaalsContact O-CD2 3.28Å; I396-H400 PolarHBondContact O-N 3.06Å |
| 397 | A | 87.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.5 | -48.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G382 K393 R394 G399 H400 L401 I421 | G382-A397 WeakPolarHBondContact O-CB 3.21Å; K393-A397 WeakPolarHBondContact O-CB 3.41Å; K393-A397 PolarHBondContact O-N 2.87Å; R394-A397 WeakPolarHBondContact O-CB 3.49Å; A397-G399 PolarHBondContact O-N 3.25Å; A397-H400 PolarHBondContact O-N 3.48Å; A397-H400 VanDerWaalsContact O-N 3.12Å; A397-L401 WeakPolarHBondContact O-CB 3.47Å; A397-L401 PolarHBondContact O-N 2.9Å; A397-I421 HydrophobicContact CB-CD1 3.71Å |
| 398 | K | 86.9 | Confident | 86.4 | Confident | 20 Ų | 20 | 69.2 Ų | 69.2 | 9% | 0.087 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55.9 | -38 | 172 | -68.1 | 167 | -158.6 | 171 | 0 | 111.7 | R394 D395 K402 I421 L422 T425 | R394-K398 WeakPolarHBondContact O-CG 3.49Å; R394-K398 PolarHBondContact O-N 3.5Å; R394-K398 VanDerWaalsContact O-N 3.1Å; D395-K398 WeakPolarHBondContact OD1-CD 3.44Å; D395-K398 WeakPolarHBondContact OD1-CE 3.14Å; D395-K398 IonicContact OD1-NZ 2.8Å; D395-K398 PolarHBondContact OD1-NZ 2.9Å; K398-K402 WeakPolarHBondContact O-CB 3.34Å; K398-K402 WeakPolarHBondContact O-CG 3.44Å; K398-K402 PolarHBondContact O-N 3.27Å; K398-K402 VanDerWaalsContact O-N 3.12Å; K398-I421 HydrophobicContact CD-CG2 4.31Å; K398-I421 VanDerWaalsContact CE-CG2 3.44Å; K398-I421 HydrophobicContact CG-CB 4.44Å; K398-I421 HydrophobicContact CG-CG2 3.88Å; K398-L422 HydrophobicContact CD-CD2 4.41Å; K398-T425 PolarHBondContact NZ-OG1 3.04Å |
| 399 | G | 88.5 | Confident | 86.6 | Confident | 34 Ų | 34 | 71.3 Ų | 71.3 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.9 | -36.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D395 I396 A397 K403 | D395-G399 PolarHBondContact O-N 3.31Å; D395-G399 VanDerWaalsContact O-N 3.14Å; I396-G399 CarbonylContact O-C 3.5Å; I396-G399 WeakPolarHBondContact O-CA 3.47Å; I396-G399 PolarHBondContact O-N 3.42Å; A397-G399 PolarHBondContact O-N 3.25Å; G399-K403 WeakPolarHBondContact O-CG 3.48Å |
| 400 | H | 89.1 | Confident | 87 | Confident | 30 Ų | 30 | 67.2 Ų | 67.2 | 14% | 0.139 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -75.7 | -50.8 | 174.3 | -72.6 | -59.5 | 0 | 0 | 0 | 112.2 | L368 M378 I396 A397 K402 K403 V404 | L368-H400 VanDerWaalsContact CD1-CE1 3.49Å; L368-H400 WeakPolarHBondContact CD1-CE1 3.44Å; M378-H400 HydrophobicContact CB-CB 4.14Å; M378-H400 HydrophobicContact CG-CB 4.47Å; M378-H400 WeakPolarHBondContact CG-ND1 3.42Å; I396-H400 PolarHBondContact O-CD2 2.96Å; I396-H400 VanDerWaalsContact O-CD2 3.28Å; I396-H400 PolarHBondContact O-N 3.06Å; A397-H400 PolarHBondContact O-N 3.48Å; A397-H400 VanDerWaalsContact O-N 3.12Å; H400-K402 VanDerWaalsContact C-N 3.3Å; H400-K402 PolarHBondContact O-N 3.17Å; H400-K403 WeakPolarHBondContact O-CB 2.98Å; H400-K403 PolarHBondContact O-N 3.48Å; H400-V404 WeakPolarHBondContact O-CG2 3.31Å; H400-V404 PolarHBondContact O-N 3.49Å |
| 401 | L | 88.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.5 | -34.8 | -176.9 | -74.9 | 161.7 | 0 | 0 | 0 | 112.5 | A397 V404 T405 A414 E417 L418 I421 | A397-L401 WeakPolarHBondContact O-CB 3.47Å; A397-L401 PolarHBondContact O-N 2.9Å; L401-V404 WeakPolarHBondContact O-CB 3.24Å; L401-V404 PolarHBondContact O-N 2.69Å; L401-T405 PolarHBondContact O-N 2.97Å; L401-T405 PolarHBondContact O-OG1 2.95Å; L401-A414 HydrophobicContact CD2-CB 4.44Å; L401-E417 HydrophobicContact CD1-CB 3.97Å; L401-E417 HydrophobicContact CD2-CB 3.97Å; L401-L418 HydrophobicContact CB-CB 4.23Å; L401-L418 HydrophobicContact CB-CD1 4.11Å; L401-I421 HydrophobicContact CD1-CD1 3.42Å; L401-I421 VanDerWaalsContact CD1-CD1 3.42Å |
| 402 | K | 88.7 | Confident | 87.4 | Confident | 100 Ų | 100 | 61.4 Ų | 61.4 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 170.7 | -75.8 | 175.1 | -179.8 | -176.8 | 0 | 112.4 | K398 H400 V404 T405 E406 L418 | K398-K402 WeakPolarHBondContact O-CB 3.34Å; K398-K402 WeakPolarHBondContact O-CG 3.44Å; K398-K402 PolarHBondContact O-N 3.27Å; K398-K402 VanDerWaalsContact O-N 3.12Å; H400-K402 VanDerWaalsContact C-N 3.3Å; H400-K402 PolarHBondContact O-N 3.17Å; K402-V404 VanDerWaalsContact C-N 3.31Å; K402-V404 PolarHBondContact O-N 2.92Å; K402-T405 WeakPolarHBondContact CA-OG1 3.43Å; K402-T405 PolarHBondContact O-N 3.19Å; K402-T405 PolarHBondContact O-OG1 3Å; K402-E406 WeakPolarHBondContact O-CB 3.45Å; K402-E406 VanDerWaalsContact O-CG 3.3Å; K402-E406 WeakPolarHBondContact O-CG 3.45Å; K402-E406 PolarHBondContact O-N 3.47Å; K402-L418 HydrophobicContact CG-CD1 4.11Å; K402-L418 HydrophobicContact CG-CD2 4.29Å |
| 403 | K | 89.5 | Confident | 87.4 | Confident | 97 Ų | 97 | 59.4 Ų | 59.4 | 42% | 0.422 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63 | -35.7 | 175.1 | -67.9 | 172.7 | -179.4 | 177.7 | 0 | 112.7 | M378 G399 H400 E406 Q407 | M378-K403 HydrophobicContact CE-CB 4.4Å; M378-K403 HydrophobicContact SD-CB 4.28Å; M378-K403 HydrophobicContact SD-CD 4.06Å; G399-K403 WeakPolarHBondContact O-CG 3.48Å; H400-K403 WeakPolarHBondContact O-CB 2.98Å; H400-K403 PolarHBondContact O-N 3.48Å; K403-E406 PolarHBondContact O-N 3.42Å; K403-Q407 WeakPolarHBondContact O-CB 3.44Å; K403-Q407 VanDerWaalsContact O-CG 3.26Å; K403-Q407 WeakPolarHBondContact O-CG 3.5Å; K403-Q407 PolarHBondContact O-N 3.39Å |
| 404 | V | 89.7 | Confident | 87.6 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.4 | -50 | 174.6 | 170.9 | 0 | 0 | 0 | 0 | 109.8 | Y375 M378 K379 H400 L401 K402 E406 Q407 Y408 A414 | Y375-V404 HydrophobicContact CD2-CB 4.48Å; Y375-V404 HydrophobicContact CD2-CG1 3.86Å; Y375-V404 HydrophobicContact CD2-CG2 4.45Å; Y375-V404 HydrophobicContact CE2-CG1 3.54Å; M378-V404 HydrophobicContact CB-CG2 3.66Å; K379-V404 HydrophobicContact CB-CG1 4.34Å; K379-V404 HydrophobicContact CB-CG2 4.39Å; H400-V404 WeakPolarHBondContact O-CG2 3.31Å; H400-V404 PolarHBondContact O-N 3.49Å; L401-V404 WeakPolarHBondContact O-CB 3.24Å; L401-V404 PolarHBondContact O-N 2.69Å; K402-V404 VanDerWaalsContact C-N 3.31Å; K402-V404 PolarHBondContact O-N 2.92Å; V404-E406 VanDerWaalsContact C-N 3.32Å; V404-E406 PolarHBondContact O-N 3.33Å; V404-Q407 PolarHBondContact O-N 3.13Å; V404-Y408 PolarHBondContact O-N 3.37Å; V404-A414 HydrophobicContact CG1-CB 3.5Å; V404-A414 VanDerWaalsContact CG1-CB 3.5Å |
| 405 | T | 88.5 | Confident | 87.8 | Confident | 11 Ų | 11 | 56 Ų | 56 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.7 | -25.6 | 176.5 | 56.7 | 0 | 0 | 0 | 0 | 114.4 | L401 K402 P409 A414 W415 L418 | L401-T405 PolarHBondContact O-N 2.97Å; L401-T405 PolarHBondContact O-OG1 2.95Å; K402-T405 WeakPolarHBondContact CA-OG1 3.43Å; K402-T405 PolarHBondContact O-N 3.19Å; K402-T405 PolarHBondContact O-OG1 3Å; T405-P409 WeakPolarHBondContact O-CA 3.42Å; T405-P409 WeakPolarHBondContact O-CG 3.27Å; T405-A414 HydrophobicContact CG2-CB 4.07Å; T405-W415 HydrophobicContact CG2-CD2 3.66Å; T405-W415 HydrophobicContact CG2-CE3 3.83Å; T405-W415 HydrophobicContact CG2-CG 4.17Å; T405-W415 HydrophobicContact CG2-CH2 4.17Å; T405-W415 HydrophobicContact CG2-CZ2 4.03Å; T405-W415 HydrophobicContact CG2-CZ3 4.08Å; T405-L418 HydrophobicContact CG2-CD2 4.12Å |
| 406 | E | 88.7 | Confident | 88 | Confident | 146 Ų | 146 | 54 Ų | 54 | 68% | 0.682 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -73.6 | -35.3 | 172.2 | -76.2 | 168.5 | -175.8 | 0 | 0 | 112.3 | K402 K403 V404 | K402-E406 WeakPolarHBondContact O-CB 3.45Å; K402-E406 VanDerWaalsContact O-CG 3.3Å; K402-E406 WeakPolarHBondContact O-CG 3.45Å; K402-E406 PolarHBondContact O-N 3.47Å; K403-E406 PolarHBondContact O-N 3.42Å; V404-E406 VanDerWaalsContact C-N 3.32Å; V404-E406 PolarHBondContact O-N 3.33Å |
| 407 | Q | 87.6 | Confident | 88 | Confident | 74 Ų | 74 | 51.8 Ų | 51.8 | 35% | 0.346 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -80.5 | -42.4 | 179.5 | -72.3 | 174.8 | 16.6 | 0 | 0 | 112.4 | K403 V404 | K403-Q407 WeakPolarHBondContact O-CB 3.44Å; K403-Q407 VanDerWaalsContact O-CG 3.26Å; K403-Q407 WeakPolarHBondContact O-CG 3.5Å; K403-Q407 PolarHBondContact O-N 3.39Å; V404-Q407 PolarHBondContact O-N 3.13Å |
| 408 | Y | 85.7 | Confident | 88.1 | Confident | 129 Ų | 129 | 52.1 Ų | 52.1 | 51% | 0.506 | 26% | 0.256 | S | S | . | . | trans | -132 | 83.8 | 179.6 | -63.5 | -91.2 | 0 | 0 | 0 | 109.7 | Y375 V404 D410 D411 | Y375-Y408 HydrophobicContact CD1-CD2 4.46Å; Y375-Y408 HydrophobicContact CD1-CE2 4.36Å; Y375-Y408 AromaticContact CD2-CD2 3.26Å; Y375-Y408 HydrophobicContact CD2-CD2 3.26Å; Y375-Y408 AromaticContact CD2-CE2 3.73Å; Y375-Y408 HydrophobicContact CD2-CE2 3.73Å; Y375-Y408 HydrophobicContact CD2-CG 4.16Å; Y375-Y408 AromaticContact CE2-CD2 3.4Å; Y375-Y408 HydrophobicContact CE2-CD2 3.4Å; Y375-Y408 VanDerWaalsContact CE2-CD2 3.4Å; Y375-Y408 HydrophobicContact CE2-CE2 4.2Å; Y375-Y408 AromaticContact CE2-CG 3.83Å; Y375-Y408 HydrophobicContact CE2-CG 3.83Å; Y375-Y408 AromaticContact CG-CD2 3.82Å; Y375-Y408 HydrophobicContact CG-CD2 3.82Å; Y375-Y408 AromaticContact CG-CE2 3.79Å; Y375-Y408 HydrophobicContact CG-CE2 3.79Å; V404-Y408 PolarHBondContact O-N 3.37Å; Y408-D410 PolarHBondContact O-N 3.44Å; Y408-D411 PolarHBondContact O-N 3.34Å | ||
| 409 | P | 86.8 | Confident | 88.3 | Confident | 70 Ų | 70 | 51.2 Ų | 51.2 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -9.4 | 178.9 | -23.4 | 34.2 | 0 | 0 | 0 | 114.9 | T405 W415 I440 | T405-P409 WeakPolarHBondContact O-CA 3.42Å; T405-P409 WeakPolarHBondContact O-CG 3.27Å; P409-W415 PolarHBondContact O-NE1 2.82Å; P409-I440 VanDerWaalsContact O-CD1 3.27Å; P409-I440 WeakPolarHBondContact O-CD1 3.5Å |
| 410 | D | 86.1 | Confident | 88.2 | Confident | 93 Ų | 93 | 53.7 Ų | 53.7 | 50% | 0.497 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -11.1 | -175.2 | -72.8 | -0.1 | 0 | 0 | 0 | 113.8 | Y408 V412 K444 | Y408-D410 PolarHBondContact O-N 3.44Å; D410-V412 PolarHBondContact O-N 3.05Å; D410-V412 VanDerWaalsContact O-N 3.16Å; D410-K444 IonicContact OD1-NZ 2.68Å; D410-K444 PolarHBondContact OD1-NZ 2.98Å; D410-K444 IonicContact OD2-NZ 3.06Å; D410-K444 PolarHBondContact OD2-NZ 3.35Å |
| 411 | D | 87 | Confident | 88.1 | Confident | 22 Ų | 22 | 52.8 Ų | 52.8 | 12% | 0.118 | 25% | 0.25 | C | S | . | . | trans | -76.7 | 101.6 | 179.8 | -178 | 16.9 | 0 | 0 | 0 | 111.4 | Y375 K379 Y408 E413 A414 W415 | Y375-D411 WeakPolarHBondContact OH-CB 3.49Å; Y375-D411 PolarHBondContact OH-OD2 3.44Å; K379-D411 WeakPolarHBondContact CD-OD2 3.4Å; K379-D411 VanDerWaalsContact CE-OD2 3.23Å; K379-D411 WeakPolarHBondContact CE-OD2 3.32Å; K379-D411 VanDerWaalsContact NZ-CG 3.25Å; K379-D411 IonicContact NZ-OD1 2.91Å; K379-D411 PolarHBondContact NZ-OD1 3.04Å; K379-D411 IonicContact NZ-OD2 2.78Å; K379-D411 PolarHBondContact NZ-OD2 3.37Å; Y408-D411 PolarHBondContact O-N 3.34Å; D411-E413 VanDerWaalsContact C-N 3.29Å; D411-E413 PolarHBondContact O-N 3.24Å; D411-E413 PolarHBondContact OD1-N 2.86Å; D411-A414 HydrophobicContact CB-CB 4.05Å; D411-A414 PolarHBondContact O-N 2.89Å; D411-A414 VanDerWaalsContact OD2-CB 3.24Å; D411-A414 WeakPolarHBondContact OD2-CB 3.43Å; D411-A414 PolarHBondContact OD2-N 3.28Å; D411-W415 PolarHBondContact O-N 3.1Å | ||
| 412 | V | 87.1 | Confident | 88.1 | Confident | 24 Ų | 24 | 53.5 Ų | 53.5 | 15% | 0.145 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.4 | -41.1 | 179.9 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | D410 W415 I416 A437 I440 L441 | D410-V412 PolarHBondContact O-N 3.05Å; D410-V412 VanDerWaalsContact O-N 3.16Å; V412-W415 PolarHBondContact O-N 3.24Å; V412-I416 HydrophobicContact CG1-CD1 3.85Å; V412-I416 HydrophobicContact CG1-CG1 4.46Å; V412-I416 WeakPolarHBondContact O-CG1 3.34Å; V412-I416 PolarHBondContact O-N 3.42Å; V412-A437 HydrophobicContact CG1-CB 4.17Å; V412-I440 HydrophobicContact CG2-CB 4.02Å; V412-I440 HydrophobicContact CG2-CG2 3.47Å; V412-I440 VanDerWaalsContact CG2-CG2 3.47Å; V412-L441 HydrophobicContact CG1-CD1 4.14Å; V412-L441 HydrophobicContact CG1-CD2 4.03Å; V412-L441 HydrophobicContact CG1-CG 3.88Å; V412-L441 HydrophobicContact CG2-CD2 4.27Å; V412-L441 HydrophobicContact CG2-CG 4.33Å |
| 413 | E | 85.9 | Confident | 88 | Confident | 120 Ų | 120 | 50.3 Ų | 50.3 | 56% | 0.561 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -65.5 | -43.2 | -177.3 | -64.9 | 169.9 | -174.2 | 0 | 0 | 110.8 | K379 D411 W415 I416 E417 | K379-E413 VanDerWaalsContact CE-OE2 3.27Å; K379-E413 WeakPolarHBondContact CE-OE2 3.49Å; K379-E413 IonicContact NZ-OE2 2.64Å; K379-E413 PolarHBondContact NZ-OE2 3.2Å; D411-E413 VanDerWaalsContact C-N 3.29Å; D411-E413 PolarHBondContact O-N 3.24Å; D411-E413 PolarHBondContact OD1-N 2.86Å; E413-W415 VanDerWaalsContact C-N 3.26Å; E413-W415 PolarHBondContact O-N 2.86Å; E413-I416 PolarHBondContact O-N 3.21Å; E413-E417 WeakPolarHBondContact O-CG 3.47Å; E413-E417 PolarHBondContact O-N 3.28Å |
| 414 | A | 88.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.1 | -33.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | L401 V404 T405 D411 L418 | L401-A414 HydrophobicContact CD2-CB 4.44Å; V404-A414 HydrophobicContact CG1-CB 3.5Å; V404-A414 VanDerWaalsContact CG1-CB 3.5Å; T405-A414 HydrophobicContact CG2-CB 4.07Å; D411-A414 HydrophobicContact CB-CB 4.05Å; D411-A414 PolarHBondContact O-N 2.89Å; D411-A414 VanDerWaalsContact OD2-CB 3.24Å; D411-A414 WeakPolarHBondContact OD2-CB 3.43Å; D411-A414 PolarHBondContact OD2-N 3.28Å; A414-L418 WeakPolarHBondContact O-CB 3.46Å; A414-L418 PolarHBondContact O-N 3.47Å |
| 415 | W | 90.8 | Very high | 87.3 | Confident | 47 Ų | 47 | 55.9 Ų | 55.9 | 18% | 0.178 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.4 | -36.4 | 172.5 | -72.8 | 112.5 | 0 | 0 | 0 | 112.8 | T405 P409 D411 V412 E413 L418 A419 A433 A437 | T405-W415 HydrophobicContact CG2-CD2 3.66Å; T405-W415 HydrophobicContact CG2-CE3 3.83Å; T405-W415 HydrophobicContact CG2-CG 4.17Å; T405-W415 HydrophobicContact CG2-CH2 4.17Å; T405-W415 HydrophobicContact CG2-CZ2 4.03Å; T405-W415 HydrophobicContact CG2-CZ3 4.08Å; P409-W415 PolarHBondContact O-NE1 2.82Å; D411-W415 PolarHBondContact O-N 3.1Å; V412-W415 PolarHBondContact O-N 3.24Å; E413-W415 VanDerWaalsContact C-N 3.26Å; E413-W415 PolarHBondContact O-N 2.86Å; W415-L418 HydrophobicContact CE3-CD2 4.1Å; W415-L418 HydrophobicContact CZ3-CD2 4.07Å; W415-A419 VanDerWaalsContact O-CB 3.32Å; W415-A419 WeakPolarHBondContact O-CB 3.41Å; W415-A419 PolarHBondContact O-N 3.25Å; W415-A433 HydrophobicContact CE3-CB 3.97Å; W415-A437 HydrophobicContact CB-CB 3.92Å |
| 416 | I | 89.4 | Confident | 87.2 | Confident | 34 Ų | 34 | 58.8 Ų | 58.8 | 17% | 0.174 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.2 | -51.4 | 175.9 | -69.1 | 166.7 | 0 | 0 | 0 | 110.5 | V412 E413 L418 A419 Q420 Y434 A437 I453 | V412-I416 HydrophobicContact CG1-CD1 3.85Å; V412-I416 HydrophobicContact CG1-CG1 4.46Å; V412-I416 WeakPolarHBondContact O-CG1 3.34Å; V412-I416 PolarHBondContact O-N 3.42Å; E413-I416 PolarHBondContact O-N 3.21Å; I416-L418 VanDerWaalsContact C-N 3.3Å; I416-L418 PolarHBondContact O-N 3.13Å; I416-A419 WeakPolarHBondContact O-CB 3.44Å; I416-A419 PolarHBondContact O-N 3.48Å; I416-Q420 WeakPolarHBondContact O-CG 3.41Å; I416-Q420 PolarHBondContact O-N 2.65Å; I416-Y434 HydrophobicContact CG2-CE1 4.45Å; I416-A437 HydrophobicContact CG1-CB 4.13Å; I416-I453 HydrophobicContact CD1-CD1 3.63Å; I416-I453 HydrophobicContact CD1-CG1 4.49Å; I416-I453 HydrophobicContact CG1-CD1 4.15Å |
| 417 | E | 87.3 | Confident | 87.3 | Confident | 37 Ų | 37 | 54.1 Ų | 54.1 | 17% | 0.173 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.4 | -43.7 | 176.2 | -67.2 | -68.4 | 119.4 | 0 | 0 | 111 | S383 L401 E413 A419 Q420 I421 | S383-E417 VanDerWaalsContact CA-OE2 3.23Å; S383-E417 WeakPolarHBondContact CA-OE2 3.32Å; S383-E417 WeakPolarHBondContact CB-OE2 3.19Å; S383-E417 PolarHBondContact OG-OE2 3Å; L401-E417 HydrophobicContact CD1-CB 3.97Å; L401-E417 HydrophobicContact CD2-CB 3.97Å; E413-E417 WeakPolarHBondContact O-CG 3.47Å; E413-E417 PolarHBondContact O-N 3.28Å; E417-A419 VanDerWaalsContact C-N 3.34Å; E417-A419 PolarHBondContact O-N 3.19Å; E417-Q420 PolarHBondContact O-N 3.39Å; E417-I421 WeakPolarHBondContact O-CG1 3.46Å; E417-I421 PolarHBondContact O-N 2.74Å |
| 418 | L | 89.5 | Confident | 87.4 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 174.9 | -178.8 | 59.3 | 0 | 0 | 0 | 112 | L401 K402 T405 A414 W415 I416 L422 | L401-L418 HydrophobicContact CB-CB 4.23Å; L401-L418 HydrophobicContact CB-CD1 4.11Å; K402-L418 HydrophobicContact CG-CD1 4.11Å; K402-L418 HydrophobicContact CG-CD2 4.29Å; T405-L418 HydrophobicContact CG2-CD2 4.12Å; A414-L418 WeakPolarHBondContact O-CB 3.46Å; A414-L418 PolarHBondContact O-N 3.47Å; W415-L418 HydrophobicContact CE3-CD2 4.1Å; W415-L418 HydrophobicContact CZ3-CD2 4.07Å; I416-L418 VanDerWaalsContact C-N 3.3Å; I416-L418 PolarHBondContact O-N 3.13Å; L418-L422 HydrophobicContact CD1-CD1 3.98Å; L418-L422 HydrophobicContact CD1-CG 4.33Å; L418-L422 HydrophobicContact CG-CD1 3.93Å; L418-L422 WeakPolarHBondContact O-CB 3.28Å; L418-L422 WeakPolarHBondContact O-CD1 3.3Å; L418-L422 WeakPolarHBondContact O-CG 3.48Å; L418-L422 PolarHBondContact O-N 3.21Å |
| 419 | A | 90.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | W415 I416 E417 I421 L422 E423 A430 A433 Y434 | W415-A419 VanDerWaalsContact O-CB 3.32Å; W415-A419 WeakPolarHBondContact O-CB 3.41Å; W415-A419 PolarHBondContact O-N 3.25Å; I416-A419 WeakPolarHBondContact O-CB 3.44Å; I416-A419 PolarHBondContact O-N 3.48Å; E417-A419 VanDerWaalsContact C-N 3.34Å; E417-A419 PolarHBondContact O-N 3.19Å; A419-I421 PolarHBondContact O-N 2.83Å; A419-L422 CarbonylContact O-C 3.56Å; A419-L422 WeakPolarHBondContact O-CA 3.39Å; A419-L422 WeakPolarHBondContact O-CB 3.46Å; A419-L422 PolarHBondContact O-N 3.05Å; A419-E423 WeakPolarHBondContact O-CG 3.37Å; A419-E423 PolarHBondContact O-N 3.36Å; A419-A430 WeakPolarHBondContact O-CB 3.35Å; A419-A433 HydrophobicContact CB-CB 3.77Å; A419-Y434 HydrophobicContact CB-CD1 3.66Å; A419-Y434 HydrophobicContact CB-CD2 3.66Å; A419-Y434 HydrophobicContact CB-CE1 3.65Å; A419-Y434 HydrophobicContact CB-CE2 3.65Å; A419-Y434 HydrophobicContact CB-CG 3.67Å |
| 420 | Q | 87.8 | Confident | 87.9 | Confident | 87 Ų | 87 | 47 Ų | 47 | 41% | 0.407 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -54.5 | -48.9 | 179.6 | -70.7 | 176.5 | 19.8 | 0 | 0 | 112.3 | I416 E417 L422 E423 | I416-Q420 WeakPolarHBondContact O-CG 3.41Å; I416-Q420 PolarHBondContact O-N 2.65Å; E417-Q420 PolarHBondContact O-N 3.39Å; Q420-L422 VanDerWaalsContact C-N 3.26Å; Q420-L422 PolarHBondContact O-N 3.22Å; Q420-E423 WeakPolarHBondContact O-CB 3.39Å; Q420-E423 PolarHBondContact O-N 3.03Å |
| 421 | I | 87.1 | Confident | 88.1 | Confident | 11 Ų | 11 | 43.7 Ų | 43.7 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.6 | -30.1 | 179.4 | -48.1 | 166.8 | 0 | 0 | 0 | 111.2 | A386 R394 A397 K398 L401 E417 A419 | A386-I421 HydrophobicContact CB-CD1 3.5Å; A386-I421 VanDerWaalsContact CB-CD1 3.5Å; A386-I421 HydrophobicContact CB-CG1 3.48Å; A386-I421 VanDerWaalsContact CB-CG1 3.48Å; R394-I421 HydrophobicContact CB-CG2 4.1Å; R394-I421 HydrophobicContact CG-CG2 4.35Å; A397-I421 HydrophobicContact CB-CD1 3.71Å; K398-I421 HydrophobicContact CD-CG2 4.31Å; K398-I421 VanDerWaalsContact CE-CG2 3.44Å; K398-I421 HydrophobicContact CG-CB 4.44Å; K398-I421 HydrophobicContact CG-CG2 3.88Å; L401-I421 HydrophobicContact CD1-CD1 3.42Å; L401-I421 VanDerWaalsContact CD1-CD1 3.42Å; E417-I421 WeakPolarHBondContact O-CG1 3.46Å; E417-I421 PolarHBondContact O-N 2.74Å; A419-I421 PolarHBondContact O-N 2.83Å |
| 422 | L | 87.9 | Confident | 88.3 | Confident | 14 Ų | 14 | 46.2 Ų | 46.2 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -74.6 | -23.9 | 176.5 | -69 | 171.8 | 0 | 0 | 0 | 112.6 | K398 L418 A419 Q420 Q424 T425 D426 A430 | K398-L422 HydrophobicContact CD-CD2 4.41Å; L418-L422 HydrophobicContact CD1-CD1 3.98Å; L418-L422 HydrophobicContact CD1-CG 4.33Å; L418-L422 HydrophobicContact CG-CD1 3.93Å; L418-L422 WeakPolarHBondContact O-CB 3.28Å; L418-L422 WeakPolarHBondContact O-CD1 3.3Å; L418-L422 WeakPolarHBondContact O-CG 3.48Å; L418-L422 PolarHBondContact O-N 3.21Å; A419-L422 CarbonylContact O-C 3.56Å; A419-L422 WeakPolarHBondContact O-CA 3.39Å; A419-L422 WeakPolarHBondContact O-CB 3.46Å; A419-L422 PolarHBondContact O-N 3.05Å; Q420-L422 VanDerWaalsContact C-N 3.26Å; Q420-L422 PolarHBondContact O-N 3.22Å; L422-Q424 PolarHBondContact O-N 3.49Å; L422-T425 PolarHBondContact O-N 3.4Å; L422-D426 HydrophobicContact CD2-CB 4.33Å; L422-D426 CarbonylContact O-C 3.4Å; L422-D426 VanDerWaalsContact O-C 3.27Å; L422-D426 PolarHBondContact O-N 2.86Å; L422-A430 HydrophobicContact CB-CB 3.87Å |
| 423 | E | 87 | Confident | 88.6 | Confident | 34 Ų | 34 | 45.1 Ų | 45.1 | 16% | 0.159 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -31.5 | -177.3 | -65.9 | -162.5 | -164.8 | 0 | 0 | 114.7 | A419 Q420 A430 Y434 L460 R463 | A419-E423 WeakPolarHBondContact O-CG 3.37Å; A419-E423 PolarHBondContact O-N 3.36Å; Q420-E423 WeakPolarHBondContact O-CB 3.39Å; Q420-E423 PolarHBondContact O-N 3.03Å; E423-A430 HydrophobicContact CG-CB 4.1Å; E423-Y434 HydrophobicContact CG-CE2 4.36Å; E423-Y434 VanDerWaalsContact OE1-CE2 3.27Å; E423-Y434 WeakPolarHBondContact OE1-CE2 3.42Å; E423-Y434 PolarHBondContact OE1-OH 3.4Å; E423-L460 HydrophobicContact CB-CD2 4.18Å; E423-L460 HydrophobicContact CG-CD1 4.22Å; E423-L460 HydrophobicContact CG-CD2 4Å; E423-R463 PolarHBondContact O-NH1 3.38Å |
| 424 | Q | 81.8 | Confident | 88.9 | Confident | 139 Ų | 139 | 39.5 Ų | 39.5 | 65% | 0.65 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -24.9 | 178.9 | -169.7 | 172.6 | 7.8 | 0 | 0 | 113.3 | L422 | L422-Q424 PolarHBondContact O-N 3.49Š|
| 425 | T | 82.6 | Confident | 89 | Confident | 74 Ų | 74 | 41.4 Ų | 41.4 | 45% | 0.454 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117 | -28.4 | -172.5 | 62 | 0 | 0 | 0 | 0 | 115.7 | K398 L422 | K398-T425 PolarHBondContact NZ-OG1 3.04Å; L422-T425 PolarHBondContact O-N 3.4Å |
| 426 | D | 86.6 | Confident | 89 | Confident | 72 Ų | 72 | 40.7 Ų | 40.7 | 39% | 0.385 | 23% | 0.225 | S | C | . | . | trans | -150.9 | 93.9 | 178.9 | 179.4 | 7 | 0 | 0 | 0 | 110.7 | L422 Q428 G429 A430 | L422-D426 HydrophobicContact CD2-CB 4.33Å; L422-D426 CarbonylContact O-C 3.4Å; L422-D426 VanDerWaalsContact O-C 3.27Å; L422-D426 PolarHBondContact O-N 2.86Å; D426-Q428 PolarHBondContact O-N 3.32Å; D426-Q428 WeakPolarHBondContact OD1-CB 3.34Å; D426-Q428 PolarHBondContact OD1-N 3.35Å; D426-G429 PolarHBondContact O-N 3.25Å; D426-G429 PolarHBondContact OD1-N 3.04Å; D426-G429 WeakPolarHBondContact OD2-CA 3.4Å; D426-G429 PolarHBondContact OD2-N 3.19Å; D426-A430 PolarHBondContact O-N 3.03Å | ||
| 427 | I | 90.2 | Very high | 89.1 | Confident | 48 Ų | 48 | 39 Ų | 39 | 25% | 0.246 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.4 | -29.1 | 178.8 | -63.1 | 172.3 | 0 | 0 | 0 | 111.9 | L431 L460 R463 L464 | I427-L431 WeakPolarHBondContact O-CG 3.44Å; I427-L431 PolarHBondContact O-N 3.49Å; I427-L431 VanDerWaalsContact O-N 3.15Å; I427-L460 HydrophobicContact CB-CD2 4.42Å; I427-L460 HydrophobicContact CG1-CD2 4.31Å; I427-L460 HydrophobicContact CG2-CB 4.16Å; I427-L460 HydrophobicContact CG2-CD2 3.91Å; I427-R463 HydrophobicContact CD1-CB 4.11Å; I427-L464 HydrophobicContact CB-CD2 4.42Å; I427-L464 HydrophobicContact CG2-CD1 4.08Å; I427-L464 HydrophobicContact CG2-CD2 3.75Å; I427-L464 HydrophobicContact CG2-CG 3.71Å |
| 428 | Q | 90.1 | Very high | 89.2 | Confident | 115 Ų | 115 | 38.6 Ų | 38.6 | 54% | 0.537 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -78 | -41.9 | 178 | -63.8 | -67.9 | -23.6 | 0 | 0 | 110.9 | D426 L431 S432 L464 | D426-Q428 PolarHBondContact O-N 3.32Å; D426-Q428 WeakPolarHBondContact OD1-CB 3.34Å; D426-Q428 PolarHBondContact OD1-N 3.35Å; Q428-L431 PolarHBondContact O-N 2.81Å; Q428-S432 PolarHBondContact O-N 3.22Å; Q428-L464 VanDerWaalsContact NE2-CD1 3.27Å |
| 429 | G | 89.4 | Confident | 89.2 | Confident | 9 Ų | 9 | 44.2 Ų | 44.2 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56 | -49.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D426 L431 S432 A433 | D426-G429 PolarHBondContact O-N 3.25Å; D426-G429 PolarHBondContact OD1-N 3.04Å; D426-G429 WeakPolarHBondContact OD2-CA 3.4Å; D426-G429 PolarHBondContact OD2-N 3.19Å; G429-L431 PolarHBondContact O-N 2.91Å; G429-S432 PolarHBondContact O-N 3.4Å; G429-S432 VanDerWaalsContact O-N 3.16Å; G429-S432 PolarHBondContact O-OG 2.91Å; G429-A433 PolarHBondContact O-N 3.26Å |
| 430 | A | 92.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.5 | -47.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A419 L422 E423 D426 S432 A433 Y434 L460 | A419-A430 WeakPolarHBondContact O-CB 3.35Å; L422-A430 HydrophobicContact CB-CB 3.87Å; E423-A430 HydrophobicContact CG-CB 4.1Å; D426-A430 PolarHBondContact O-N 3.03Å; A430-S432 VanDerWaalsContact C-N 3.31Å; A430-S432 PolarHBondContact O-N 3.32Å; A430-A433 PolarHBondContact O-N 3.04Å; A430-Y434 WeakPolarHBondContact O-CD2 3.42Å; A430-Y434 PolarHBondContact O-N 2.93Å; A430-L460 HydrophobicContact CB-CD1 3.75Å; A430-L460 HydrophobicContact CB-CD2 4.42Å |
| 431 | L | 91.7 | Very high | 89.1 | Confident | 23 Ų | 23 | 41.6 Ų | 41.6 | 12% | 0.12 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.7 | -35 | 175.4 | -78.6 | 175.7 | 0 | 0 | 0 | 113.1 | I427 Q428 G429 G435 V457 L460 L464 | I427-L431 WeakPolarHBondContact O-CG 3.44Å; I427-L431 PolarHBondContact O-N 3.49Å; I427-L431 VanDerWaalsContact O-N 3.15Å; Q428-L431 PolarHBondContact O-N 2.81Å; G429-L431 PolarHBondContact O-N 2.91Å; L431-G435 PolarHBondContact O-N 3.12Å; L431-V457 HydrophobicContact CD2-CB 4.42Å; L431-V457 HydrophobicContact CD2-CG1 3.99Å; L431-V457 HydrophobicContact CD2-CG2 4.47Å; L431-L460 HydrophobicContact CD1-CB 4.18Å; L431-L460 HydrophobicContact CD2-CB 3.65Å; L431-L460 HydrophobicContact CD2-CD1 3.97Å; L431-L460 HydrophobicContact CD2-CG 4.49Å; L431-L460 HydrophobicContact CG-CB 3.77Å; L431-L460 HydrophobicContact CG-CD1 4.06Å; L431-L464 HydrophobicContact CD1-CD1 3.42Å; L431-L464 VanDerWaalsContact CD1-CD1 3.42Å |
| 432 | S | 91.4 | Very high | 89 | Confident | 76 Ų | 76 | 45.9 Ų | 45.9 | 53% | 0.531 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.9 | -39.8 | 176.1 | 76.1 | 0 | 0 | 0 | 0 | 112 | Q428 G429 A430 G435 T436 | Q428-S432 PolarHBondContact O-N 3.22Å; G429-S432 PolarHBondContact O-N 3.4Å; G429-S432 VanDerWaalsContact O-N 3.16Å; G429-S432 PolarHBondContact O-OG 2.91Å; A430-S432 VanDerWaalsContact C-N 3.31Å; A430-S432 PolarHBondContact O-N 3.32Å; S432-G435 PolarHBondContact O-N 3.31Å; S432-T436 PolarHBondContact O-N 2.72Å; S432-T436 PolarHBondContact O-OG1 3.39Å |
| 433 | A | 92.3 | Very high | 89 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.2 | -44.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W415 A419 G429 A430 G435 T436 A437 | W415-A433 HydrophobicContact CE3-CB 3.97Å; A419-A433 HydrophobicContact CB-CB 3.77Å; G429-A433 PolarHBondContact O-N 3.26Å; A430-A433 PolarHBondContact O-N 3.04Å; A433-G435 VanDerWaalsContact C-N 3.3Å; A433-G435 PolarHBondContact O-N 3.06Å; A433-T436 WeakPolarHBondContact CA-OG1 3.25Å; A433-T436 PolarHBondContact O-N 3.15Å; A433-T436 PolarHBondContact O-OG1 3.23Å; A433-A437 PolarHBondContact O-N 3.44Å |
| 434 | Y | 92.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.5 | -35.4 | 170.6 | -75.2 | -52.6 | 0 | 0 | 0 | 112.1 | I416 A419 E423 A430 A437 T438 I453 N456 V457 L460 | I416-Y434 HydrophobicContact CG2-CE1 4.45Å; A419-Y434 HydrophobicContact CB-CD1 3.66Å; A419-Y434 HydrophobicContact CB-CD2 3.66Å; A419-Y434 HydrophobicContact CB-CE1 3.65Å; A419-Y434 HydrophobicContact CB-CE2 3.65Å; A419-Y434 HydrophobicContact CB-CG 3.67Å; E423-Y434 HydrophobicContact CG-CE2 4.36Å; E423-Y434 VanDerWaalsContact OE1-CE2 3.27Å; E423-Y434 WeakPolarHBondContact OE1-CE2 3.42Å; E423-Y434 PolarHBondContact OE1-OH 3.4Å; A430-Y434 WeakPolarHBondContact O-CD2 3.42Å; A430-Y434 PolarHBondContact O-N 2.93Å; Y434-A437 PolarHBondContact O-N 2.93Å; Y434-T438 VanDerWaalsContact O-CB 3.25Å; Y434-T438 WeakPolarHBondContact O-CB 3.5Å; Y434-T438 PolarHBondContact O-N 3.35Å; Y434-T438 PolarHBondContact O-OG1 3.41Å; Y434-I453 HydrophobicContact CD1-CG2 3.86Å; Y434-I453 HydrophobicContact CE1-CG2 4.42Å; Y434-I453 HydrophobicContact CG-CG2 4.46Å; Y434-N456 HydrophobicContact CE2-CB 3.98Å; Y434-N456 PolarHBondContact OH-ND2 2.8Å; Y434-N456 VanDerWaalsContact OH-ND2 3.12Å; Y434-V457 VanDerWaalsContact CB-CG2 3.49Å; Y434-V457 HydrophobicContact CD2-CG2 4.02Å; Y434-V457 HydrophobicContact CG-CG2 3.89Å; Y434-L460 HydrophobicContact CD2-CD1 3.72Å; Y434-L460 HydrophobicContact CE2-CD1 3.72Å |
| 435 | G | 90.6 | Very high | 88.4 | Confident | 40 Ų | 40 | 53 Ų | 53 | 41% | 0.412 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L431 S432 A433 R439 | L431-G435 PolarHBondContact O-N 3.12Å; S432-G435 PolarHBondContact O-N 3.31Å; A433-G435 VanDerWaalsContact C-N 3.3Å; A433-G435 PolarHBondContact O-N 3.06Å; G435-R439 WeakPolarHBondContact O-CB 3.41Å; G435-R439 PolarHBondContact O-N 3.31Å |
| 436 | T | 90.9 | Very high | 88.3 | Confident | 32 Ų | 32 | 57.3 Ų | 57.3 | 20% | 0.196 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.4 | -44.1 | 172.2 | 39.3 | 0 | 0 | 0 | 0 | 112.5 | S432 A433 R439 I440 | S432-T436 PolarHBondContact O-N 2.72Å; S432-T436 PolarHBondContact O-OG1 3.39Å; A433-T436 WeakPolarHBondContact CA-OG1 3.25Å; A433-T436 PolarHBondContact O-N 3.15Å; A433-T436 PolarHBondContact O-OG1 3.23Å; T436-R439 PolarHBondContact O-N 3.02Å; T436-I440 WeakPolarHBondContact O-CD1 3.4Å; T436-I440 VanDerWaalsContact O-CG1 3.24Å; T436-I440 WeakPolarHBondContact O-CG1 3.33Å; T436-I440 PolarHBondContact O-N 3.25Å |
| 437 | A | 91.1 | Very high | 88 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | V412 W415 I416 A433 Y434 R439 I440 L441 | V412-A437 HydrophobicContact CG1-CB 4.17Å; W415-A437 HydrophobicContact CB-CB 3.92Å; I416-A437 HydrophobicContact CG1-CB 4.13Å; A433-A437 PolarHBondContact O-N 3.44Å; Y434-A437 PolarHBondContact O-N 2.93Å; A437-R439 VanDerWaalsContact C-N 3.31Å; A437-R439 PolarHBondContact O-N 3.02Å; A437-I440 PolarHBondContact O-N 2.91Å; A437-I440 VanDerWaalsContact O-N 3.15Å; A437-L441 PolarHBondContact O-N 3.02Å |
| 438 | T | 89.2 | Confident | 87.7 | Confident | 27 Ų | 27 | 59.2 Ų | 59.2 | 17% | 0.166 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -53.9 | -47 | 176.2 | -61 | 0 | 0 | 0 | 0 | 111.5 | Y434 Q442 V449 | Y434-T438 VanDerWaalsContact O-CB 3.25Å; Y434-T438 WeakPolarHBondContact O-CB 3.5Å; Y434-T438 PolarHBondContact O-N 3.35Å; Y434-T438 PolarHBondContact O-OG1 3.41Å; T438-Q442 WeakPolarHBondContact O-CG 3.36Å; T438-Q442 PolarHBondContact O-N 3.34Å; T438-V449 HydrophobicContact CG2-CG1 4.36Å; T438-V449 HydrophobicContact CG2-CG2 3.84Å |
| 439 | R | 88.8 | Confident | 87.5 | Confident | 125 Ų | 125 | 54.2 Ų | 54.2 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 178.6 | -178.6 | -176.6 | 62.1 | 151.9 | 0.8 | 112.4 | G435 T436 A437 Q442 E443 | G435-R439 WeakPolarHBondContact O-CB 3.41Å; G435-R439 PolarHBondContact O-N 3.31Å; T436-R439 PolarHBondContact O-N 3.02Å; A437-R439 VanDerWaalsContact C-N 3.31Å; A437-R439 PolarHBondContact O-N 3.02Å; R439-Q442 PolarHBondContact O-N 2.93Å; R439-E443 VanDerWaalsContact CD-OE1 3.29Å; R439-E443 WeakPolarHBondContact CD-OE1 3.46Å; R439-E443 HydrophobicContact CG-CG 3.87Å; R439-E443 VanDerWaalsContact CG-OE1 3.26Å; R439-E443 WeakPolarHBondContact CG-OE1 3.29Å; R439-E443 VanDerWaalsContact O-CB 3.3Å; R439-E443 WeakPolarHBondContact O-CB 3.42Å; R439-E443 WeakPolarHBondContact O-CG 3.49Å; R439-E443 PolarHBondContact O-N 2.97Å |
| 440 | I | 89.3 | Confident | 87.5 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 6% | 0.056 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 179.7 | -66.1 | 158.7 | 0 | 0 | 0 | 110.8 | P409 V412 T436 A437 Q442 K444 | P409-I440 VanDerWaalsContact O-CD1 3.27Å; P409-I440 WeakPolarHBondContact O-CD1 3.5Å; V412-I440 HydrophobicContact CG2-CB 4.02Å; V412-I440 HydrophobicContact CG2-CG2 3.47Å; V412-I440 VanDerWaalsContact CG2-CG2 3.47Å; T436-I440 WeakPolarHBondContact O-CD1 3.4Å; T436-I440 VanDerWaalsContact O-CG1 3.24Å; T436-I440 WeakPolarHBondContact O-CG1 3.33Å; T436-I440 PolarHBondContact O-N 3.25Å; A437-I440 PolarHBondContact O-N 2.91Å; A437-I440 VanDerWaalsContact O-N 3.15Å; I440-Q442 VanDerWaalsContact C-N 3.34Å; I440-Q442 PolarHBondContact O-N 3.44Å; I440-K444 HydrophobicContact CG2-CD 4.34Å; I440-K444 WeakPolarHBondContact O-CB 3.46Å; I440-K444 PolarHBondContact O-N 3.29Å |
| 441 | L | 86.9 | Confident | 87.4 | Confident | 22 Ų | 22 | 55.9 Ų | 55.9 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | I | π-helix | trans | -56.5 | -48.3 | 173.3 | -72.5 | 168 | 0 | 0 | 0 | 111.4 | V412 A437 V445 Q446 A447 I453 | V412-L441 HydrophobicContact CG1-CD1 4.14Å; V412-L441 HydrophobicContact CG1-CD2 4.03Å; V412-L441 HydrophobicContact CG1-CG 3.88Å; V412-L441 HydrophobicContact CG2-CD2 4.27Å; V412-L441 HydrophobicContact CG2-CG 4.33Å; A437-L441 PolarHBondContact O-N 3.02Å; L441-V445 HydrophobicContact CD2-CG2 4.3Å; L441-V445 CarbonylContact O-C 3.54Å; L441-V445 WeakPolarHBondContact O-CB 3.27Å; L441-V445 PolarHBondContact O-N 3.28Å; L441-Q446 PolarHBondContact O-N 3.22Å; L441-A447 PolarHBondContact O-N 3.27Å; L441-I453 HydrophobicContact CD1-CD1 4.13Å |
| 442 | Q | 86.6 | Confident | 87.4 | Confident | 100 Ų | 100 | 58.8 Ų | 58.8 | 47% | 0.467 | 31% | 0.313 | S | S | . | . | I | π-helix | trans | -69.2 | -43.6 | 179.9 | -69.9 | 176.5 | -10.8 | 0 | 0 | 113.7 | T438 R439 I440 V449 | T438-Q442 WeakPolarHBondContact O-CG 3.36Å; T438-Q442 PolarHBondContact O-N 3.34Å; R439-Q442 PolarHBondContact O-N 2.93Å; I440-Q442 VanDerWaalsContact C-N 3.34Å; I440-Q442 PolarHBondContact O-N 3.44Å; Q442-V449 HydrophobicContact CG-CG2 4.25Å |
| 443 | E | 86 | Confident | 87.4 | Confident | 127 Ų | 127 | 55.7 Ų | 55.7 | 59% | 0.593 | 29% | 0.29 | S | S | * | . | I | π-helix | trans | -82.5 | -28.6 | -173.9 | -72.3 | -179.8 | 174 | 0 | 0 | 114.1 | R439 | R439-E443 VanDerWaalsContact CD-OE1 3.29Å; R439-E443 WeakPolarHBondContact CD-OE1 3.46Å; R439-E443 HydrophobicContact CG-CG 3.87Å; R439-E443 VanDerWaalsContact CG-OE1 3.26Å; R439-E443 WeakPolarHBondContact CG-OE1 3.29Å; R439-E443 VanDerWaalsContact O-CB 3.3Å; R439-E443 WeakPolarHBondContact O-CB 3.42Å; R439-E443 WeakPolarHBondContact O-CG 3.49Å; R439-E443 PolarHBondContact O-N 2.97Å |
| 444 | K | 79.1 | Confident | 87.4 | Confident | 121 Ų | 121 | 56.7 Ų | 56.7 | 53% | 0.526 | 30% | 0.295 | S | S | . | . | I | π-helix | trans | -116.7 | -38.7 | -171.9 | -64 | -167.1 | 170.6 | -178.6 | 0 | 114.6 | D410 I440 | D410-K444 IonicContact OD1-NZ 2.68Å; D410-K444 PolarHBondContact OD1-NZ 2.98Å; D410-K444 IonicContact OD2-NZ 3.06Å; D410-K444 PolarHBondContact OD2-NZ 3.35Å; I440-K444 HydrophobicContact CG2-CD 4.34Å; I440-K444 WeakPolarHBondContact O-CB 3.46Å; I440-K444 PolarHBondContact O-N 3.29Å |
| 445 | V | 77.1 | Confident | 87.5 | Confident | 90 Ų | 90 | 57.2 Ų | 57.2 | 55% | 0.545 | 30% | 0.298 | S | S | . | . | I | π-helix | trans | -91.3 | -22.8 | 179.6 | -163.1 | 0 | 0 | 0 | 0 | 110.8 | L441 A447 | L441-V445 HydrophobicContact CD2-CG2 4.3Å; L441-V445 CarbonylContact O-C 3.54Å; L441-V445 WeakPolarHBondContact O-CB 3.27Å; L441-V445 PolarHBondContact O-N 3.28Å; V445-A447 HydrophobicContact CB-CB 4.11Å; V445-A447 HydrophobicContact CG1-CB 3.79Å; V445-A447 PolarHBondContact O-N 3.16Å |
| 446 | Q | 82.1 | Confident | 87.6 | Confident | 163 Ų | 163 | 57.6 Ų | 57.6 | 76% | 0.762 | 29% | 0.29 | S | S | * | . | trans | 55.5 | 25 | -170.9 | -159 | 61.4 | 77.8 | 0 | 0 | 112.3 | L441 | L441-Q446 PolarHBondContact O-N 3.22Š| ||
| 447 | A | 80.6 | Confident | 87.7 | Confident | 39 Ų | 39 | 56.5 Ų | 56.5 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -95 | 145.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L441 V445 | L441-A447 PolarHBondContact O-N 3.27Å; V445-A447 HydrophobicContact CB-CB 4.11Å; V445-A447 HydrophobicContact CG1-CB 3.79Å; V445-A447 PolarHBondContact O-N 3.16Å |
| 448 | D | 82.6 | Confident | 87.8 | Confident | 122 Ų | 122 | 56.5 Ų | 56.5 | 65% | 0.652 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 146.6 | 172.5 | -74.8 | -54.7 | 0 | 0 | 0 | 111.5 | P450 | D448-P450 WeakPolarHBondContact O-CD 3.41Š|
| 449 | V | 86.8 | Confident | 88 | Confident | 10 Ų | 10 | 56 Ų | 56 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 126.7 | -175 | -169.5 | 0 | 0 | 0 | 0 | 109.6 | T438 Q442 I453 L454 | T438-V449 HydrophobicContact CG2-CG1 4.36Å; T438-V449 HydrophobicContact CG2-CG2 3.84Å; Q442-V449 HydrophobicContact CG-CG2 4.25Å; V449-I453 HydrophobicContact CG1-CB 4.12Å; V449-I453 HydrophobicContact CG1-CG2 4.22Å; V449-L454 HydrophobicContact CB-CD1 4.37Å; V449-L454 HydrophobicContact CB-CD2 4.15Å; V449-L454 HydrophobicContact CB-CG 4.21Å; V449-L454 HydrophobicContact CG1-CD2 3.89Å; V449-L454 HydrophobicContact CG1-CG 3.95Å |
| 450 | P | 89.1 | Confident | 88.3 | Confident | 42 Ų | 42 | 50 Ų | 50 | 27% | 0.273 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 141.6 | 176.1 | -28.6 | 35.3 | 0 | 0 | 0 | 112.8 | D448 E452 I453 L454 | D448-P450 WeakPolarHBondContact O-CD 3.41Å; P450-E452 PolarHBondContact O-N 3.46Å; P450-I453 HydrophobicContact CB-CG1 4.46Å; P450-I453 HydrophobicContact CG-CD1 4.31Å; P450-I453 PolarHBondContact O-N 3.39Å; P450-I453 VanDerWaalsContact O-N 3.16Å; P450-L454 PolarHBondContact O-N 3.29Å |
| 451 | P | 91.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.4 | -30.4 | -175.8 | 24.2 | -33.1 | 0 | 0 | 0 | 112.8 | I453 L454 N455 S477 R480 A481 E484 Y492 I495 | P451-I453 PolarHBondContact O-N 2.97Å; P451-L454 PolarHBondContact O-N 2.95Å; P451-N455 WeakPolarHBondContact O-CB 3.47Å; P451-N455 PolarHBondContact O-N 3.12Å; P451-S477 PolarHBondContact O-OG 3.29Å; P451-S477 VanDerWaalsContact O-OG 3.05Å; P451-R480 HydrophobicContact CB-CB 4.39Å; P451-R480 HydrophobicContact CB-CG 4.35Å; P451-A481 HydrophobicContact CB-CB 3.99Å; P451-A481 HydrophobicContact CG-CB 4.12Å; P451-E484 WeakPolarHBondContact CD-OE2 3.4Å; P451-Y492 HydrophobicContact CG-CD1 4.12Å; P451-Y492 HydrophobicContact CG-CE1 4.04Å; P451-I495 HydrophobicContact CB-CG2 3.94Å; P451-I495 HydrophobicContact CG-CD1 4.43Å; P451-I495 HydrophobicContact CG-CG2 4.07Å |
| 452 | E | 90.2 | Very high | 88.8 | Confident | 85 Ų | 85 | 52.9 Ų | 52.9 | 40% | 0.397 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55.9 | -46.4 | 174.5 | -61.9 | 158 | -82.2 | 0 | 0 | 112.6 | P450 N455 N456 Y491 I495 | P450-E452 PolarHBondContact O-N 3.46Å; E452-N455 PolarHBondContact O-N 3.41Å; E452-N456 VanDerWaalsContact O-CG 3.29Å; E452-N456 PolarHBondContact O-N 2.93Å; E452-N456 PolarHBondContact O-OD1 2.85Å; E452-Y491 PolarHBondContact OE1-OH 3.26Å; E452-Y491 PolarHBondContact OE2-OH 2.81Å; E452-I495 HydrophobicContact CG-CD1 3.89Å; E452-I495 HydrophobicContact CG-CG1 4.31Å |
| 453 | I | 91.3 | Very high | 89 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66 | -42.5 | -179.8 | -57.2 | -179.3 | 0 | 0 | 0 | 109.7 | I416 Y434 L441 V449 P450 P451 N456 V457 | I416-I453 HydrophobicContact CD1-CD1 3.63Å; I416-I453 HydrophobicContact CD1-CG1 4.49Å; I416-I453 HydrophobicContact CG1-CD1 4.15Å; Y434-I453 HydrophobicContact CD1-CG2 3.86Å; Y434-I453 HydrophobicContact CE1-CG2 4.42Å; Y434-I453 HydrophobicContact CG-CG2 4.46Å; L441-I453 HydrophobicContact CD1-CD1 4.13Å; V449-I453 HydrophobicContact CG1-CB 4.12Å; V449-I453 HydrophobicContact CG1-CG2 4.22Å; P450-I453 HydrophobicContact CB-CG1 4.46Å; P450-I453 HydrophobicContact CG-CD1 4.31Å; P450-I453 PolarHBondContact O-N 3.39Å; P450-I453 VanDerWaalsContact O-N 3.16Å; P451-I453 PolarHBondContact O-N 2.97Å; I453-N456 PolarHBondContact O-N 2.88Å; I453-V457 HydrophobicContact CG2-CG2 4.38Å; I453-V457 WeakPolarHBondContact O-CB 3.24Å; I453-V457 VanDerWaalsContact O-CG2 3.26Å; I453-V457 WeakPolarHBondContact O-CG2 3.14Å; I453-V457 PolarHBondContact O-N 3.31Å |
| 454 | L | 92.9 | Very high | 89.1 | Confident | 23 Ų | 23 | 51.4 Ų | 51.4 | 12% | 0.12 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.6 | -41 | 176.8 | -63.6 | 176.1 | 0 | 0 | 0 | 111.7 | V449 P450 P451 G458 Y473 A476 | V449-L454 HydrophobicContact CB-CD1 4.37Å; V449-L454 HydrophobicContact CB-CD2 4.15Å; V449-L454 HydrophobicContact CB-CG 4.21Å; V449-L454 HydrophobicContact CG1-CD2 3.89Å; V449-L454 HydrophobicContact CG1-CG 3.95Å; P450-L454 PolarHBondContact O-N 3.29Å; P451-L454 PolarHBondContact O-N 2.95Å; L454-G458 PolarHBondContact O-N 3.13Å; L454-Y473 HydrophobicContact CD2-CD1 4.29Å; L454-A476 HydrophobicContact CD1-CB 4.32Å |
| 455 | N | 94.7 | Very high | 89.6 | Confident | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.064 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 174.3 | 176.7 | 57.7 | 0 | 0 | 0 | 112 | P451 E452 G458 A459 F474 N502 | P451-N455 WeakPolarHBondContact O-CB 3.47Å; P451-N455 PolarHBondContact O-N 3.12Å; E452-N455 PolarHBondContact O-N 3.41Å; N455-G458 PolarHBondContact O-N 3.4Å; N455-A459 WeakPolarHBondContact O-CB 3.23Å; N455-A459 PolarHBondContact O-N 3.06Å; N455-F474 WeakPolarHBondContact O-CE1 3.3Å; N455-N502 PolarHBondContact OD1-ND2 3.23Å |
| 456 | N | 93 | Very high | 90.4 | Very high | 47 Ų | 47 | 47.4 Ų | 47.4 | 25% | 0.251 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.7 | -42.9 | 179.4 | -67.8 | -0.6 | 0 | 0 | 0 | 111.6 | Y434 E452 I453 G458 A459 L460 | Y434-N456 HydrophobicContact CE2-CB 3.98Å; Y434-N456 PolarHBondContact OH-ND2 2.8Å; Y434-N456 VanDerWaalsContact OH-ND2 3.12Å; E452-N456 VanDerWaalsContact O-CG 3.29Å; E452-N456 PolarHBondContact O-N 2.93Å; E452-N456 PolarHBondContact O-OD1 2.85Å; I453-N456 PolarHBondContact O-N 2.88Å; N456-G458 VanDerWaalsContact C-N 3.33Å; N456-G458 PolarHBondContact O-N 2.93Å; N456-A459 PolarHBondContact O-N 3.07Å; N456-L460 WeakPolarHBondContact O-CG 3.33Å; N456-L460 PolarHBondContact O-N 2.98Å |
| 457 | V | 93 | Very high | 90.9 | Very high | 10 Ų | 10 | 41.5 Ų | 41.5 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59 | -44 | 171.5 | 169 | 0 | 0 | 0 | 0 | 111 | L431 Y434 I453 A459 L460 H461 Y473 | L431-V457 HydrophobicContact CD2-CB 4.42Å; L431-V457 HydrophobicContact CD2-CG1 3.99Å; L431-V457 HydrophobicContact CD2-CG2 4.47Å; Y434-V457 VanDerWaalsContact CB-CG2 3.49Å; Y434-V457 HydrophobicContact CD2-CG2 4.02Å; Y434-V457 HydrophobicContact CG-CG2 3.89Å; I453-V457 HydrophobicContact CG2-CG2 4.38Å; I453-V457 WeakPolarHBondContact O-CB 3.24Å; I453-V457 VanDerWaalsContact O-CG2 3.26Å; I453-V457 WeakPolarHBondContact O-CG2 3.14Å; I453-V457 PolarHBondContact O-N 3.31Å; V457-A459 PolarHBondContact O-N 2.76Å; V457-L460 PolarHBondContact O-N 2.97Å; V457-H461 PolarHBondContact O-CD2 2.8Å; V457-H461 PolarHBondContact O-N 3.16Å; V457-Y473 HydrophobicContact CG1-CD1 4.14Å; V457-Y473 HydrophobicContact CG1-CD2 3.82Å; V457-Y473 HydrophobicContact CG1-CE1 4.08Å; V457-Y473 HydrophobicContact CG1-CE2 3.74Å; V457-Y473 HydrophobicContact CG1-CG 4.03Å |
| 458 | G | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.4 | -45.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L454 N455 N456 H461 F462 A470 F474 | L454-G458 PolarHBondContact O-N 3.13Å; N455-G458 PolarHBondContact O-N 3.4Å; N456-G458 VanDerWaalsContact C-N 3.33Å; N456-G458 PolarHBondContact O-N 2.93Å; G458-H461 PolarHBondContact O-N 2.98Å; G458-F462 WeakPolarHBondContact O-CB 3.36Å; G458-F462 PolarHBondContact O-N 3.14Å; G458-A470 VanDerWaalsContact O-CB 3.28Å; G458-A470 WeakPolarHBondContact O-CB 3.49Å; G458-F474 VanDerWaalsContact C-CE1 3.47Å |
| 459 | A | 94.1 | Very high | 92 | Very high | 15 Ų | 15 | 40 Ų | 40 | 12% | 0.124 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.6 | -39.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N455 N456 V457 F462 R463 F474 | N455-A459 WeakPolarHBondContact O-CB 3.23Å; N455-A459 PolarHBondContact O-N 3.06Å; N456-A459 PolarHBondContact O-N 3.07Å; V457-A459 PolarHBondContact O-N 2.76Å; A459-F462 WeakPolarHBondContact O-CB 3.41Å; A459-F462 PolarHBondContact O-N 2.79Å; A459-R463 WeakPolarHBondContact O-CG 3.17Å; A459-R463 PolarHBondContact O-N 3.32Å; A459-F474 HydrophobicContact CB-CE1 4.45Å; A459-F474 HydrophobicContact CB-CZ 4.45Å |
| 460 | L | 93.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.7 | -43.5 | 173.9 | -67 | 169.5 | 0 | 0 | 0 | 111.7 | E423 I427 A430 L431 Y434 N456 V457 F462 R463 L464 | E423-L460 HydrophobicContact CB-CD2 4.18Å; E423-L460 HydrophobicContact CG-CD1 4.22Å; E423-L460 HydrophobicContact CG-CD2 4Å; I427-L460 HydrophobicContact CB-CD2 4.42Å; I427-L460 HydrophobicContact CG1-CD2 4.31Å; I427-L460 HydrophobicContact CG2-CB 4.16Å; I427-L460 HydrophobicContact CG2-CD2 3.91Å; A430-L460 HydrophobicContact CB-CD1 3.75Å; A430-L460 HydrophobicContact CB-CD2 4.42Å; L431-L460 HydrophobicContact CD1-CB 4.18Å; L431-L460 HydrophobicContact CD2-CB 3.65Å; L431-L460 HydrophobicContact CD2-CD1 3.97Å; L431-L460 HydrophobicContact CD2-CG 4.49Å; L431-L460 HydrophobicContact CG-CB 3.77Å; L431-L460 HydrophobicContact CG-CD1 4.06Å; Y434-L460 HydrophobicContact CD2-CD1 3.72Å; Y434-L460 HydrophobicContact CE2-CD1 3.72Å; N456-L460 WeakPolarHBondContact O-CG 3.33Å; N456-L460 PolarHBondContact O-N 2.98Å; V457-L460 PolarHBondContact O-N 2.97Å; L460-F462 VanDerWaalsContact C-N 3.3Å; L460-F462 PolarHBondContact O-N 3.45Å; L460-R463 PolarHBondContact O-N 2.95Å; L460-L464 WeakPolarHBondContact O-CG 3.47Å; L460-L464 PolarHBondContact O-N 3.43Å; L460-L464 VanDerWaalsContact O-N 3.12Å |
| 461 | H | 93.6 | Very high | 92.8 | Very high | 33 Ų | 33 | 39.6 Ų | 39.6 | 15% | 0.153 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.7 | -36.4 | 172.8 | -89.1 | -91.9 | 0 | 0 | 0 | 112.4 | V457 G458 L464 G465 N466 A470 Y473 | V457-H461 PolarHBondContact O-CD2 2.8Å; V457-H461 PolarHBondContact O-N 3.16Å; G458-H461 PolarHBondContact O-N 2.98Å; H461-L464 PolarHBondContact O-N 2.98Å; H461-G465 PolarHBondContact O-N 3.36Å; H461-N466 HydrophobicContact CB-CB 4.19Å; H461-N466 WeakPolarHBondContact O-CB 3.46Å; H461-N466 PolarHBondContact O-N 3.24Å; H461-A470 HydrophobicContact CB-CB 3.8Å; H461-Y473 AromaticContact CD2-CE2 3.7Å; H461-Y473 AromaticContact NE2-CE2 3.75Å |
| 462 | F | 94.5 | Very high | 93 | Very high | 61 Ų | 61 | 45.1 Ų | 45.1 | 27% | 0.268 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.2 | -47.7 | 173.7 | 167.8 | -99.9 | 0 | 0 | 0 | 111.6 | G458 A459 L460 L464 G465 L467 A470 F474 R505 L506 A509 | G458-F462 WeakPolarHBondContact O-CB 3.36Å; G458-F462 PolarHBondContact O-N 3.14Å; A459-F462 WeakPolarHBondContact O-CB 3.41Å; A459-F462 PolarHBondContact O-N 2.79Å; L460-F462 VanDerWaalsContact C-N 3.3Å; L460-F462 PolarHBondContact O-N 3.45Å; F462-L464 PolarHBondContact O-N 2.91Å; F462-G465 PolarHBondContact O-N 3.35Å; F462-L467 HydrophobicContact CD2-CD2 3.69Å; F462-L467 HydrophobicContact CE2-CD2 4.2Å; F462-A470 HydrophobicContact CB-CB 4.08Å; F462-F474 HydrophobicContact CB-CE2 4.39Å; F462-F474 HydrophobicContact CB-CZ 4.36Å; F462-R505 HydrophobicContact CE2-CB 4.4Å; F462-R505 HydrophobicContact CZ-CB 4.06Å; F462-L506 HydrophobicContact CD2-CB 4.08Å; F462-L506 HydrophobicContact CD2-CD1 4.32Å; F462-L506 HydrophobicContact CD2-CG 4.32Å; F462-L506 HydrophobicContact CE2-CB 4.37Å; F462-A509 HydrophobicContact CE2-CB 3.73Å; F462-A509 HydrophobicContact CZ-CB 4.39Å |
| 463 | R | 90.3 | Very high | 93.2 | Very high | 136 Ų | 136 | 44.8 Ų | 44.8 | 51% | 0.513 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.2 | -31.1 | 175.1 | -70.9 | 176.5 | -170.4 | 163.3 | 10.5 | 112.9 | E423 I427 A459 L460 G465 | E423-R463 PolarHBondContact O-NH1 3.38Å; I427-R463 HydrophobicContact CD1-CB 4.11Å; A459-R463 WeakPolarHBondContact O-CG 3.17Å; A459-R463 PolarHBondContact O-N 3.32Å; L460-R463 PolarHBondContact O-N 2.95Å; R463-G465 VanDerWaalsContact C-N 3.32Å |
| 464 | L | 89.1 | Confident | 93.4 | Very high | 59 Ų | 59 | 44.3 Ų | 44.3 | 31% | 0.309 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -5.8 | 175 | -67.1 | 177.7 | 0 | 0 | 0 | 114.8 | I427 Q428 L431 L460 H461 F462 N466 | I427-L464 HydrophobicContact CB-CD2 4.42Å; I427-L464 HydrophobicContact CG2-CD1 4.08Å; I427-L464 HydrophobicContact CG2-CD2 3.75Å; I427-L464 HydrophobicContact CG2-CG 3.71Å; Q428-L464 VanDerWaalsContact NE2-CD1 3.27Å; L431-L464 HydrophobicContact CD1-CD1 3.42Å; L431-L464 VanDerWaalsContact CD1-CD1 3.42Å; L460-L464 WeakPolarHBondContact O-CG 3.47Å; L460-L464 PolarHBondContact O-N 3.43Å; L460-L464 VanDerWaalsContact O-N 3.12Å; H461-L464 PolarHBondContact O-N 2.98Å; F462-L464 PolarHBondContact O-N 2.91Å; L464-N466 VanDerWaalsContact C-N 3.27Å; L464-N466 PolarHBondContact O-N 3.28Å |
| 465 | G | 89.2 | Confident | 93.5 | Very high | 51 Ų | 51 | 46.5 Ų | 46.5 | 53% | 0.526 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 11.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H461 F462 R463 L467 | H461-G465 PolarHBondContact O-N 3.36Å; F462-G465 PolarHBondContact O-N 3.35Å; R463-G465 VanDerWaalsContact C-N 3.32Å; G465-L467 PolarHBondContact O-N 3.3Å |
| 466 | N | 93.3 | Very high | 93.5 | Very high | 76 Ų | 76 | 48.1 Ų | 48.1 | 41% | 0.406 | 26% | 0.259 | S | S | . | . | trans | -80 | 51 | 175.2 | -69.9 | -38.3 | 0 | 0 | 0 | 111.1 | H461 L464 G468 E469 A470 | H461-N466 HydrophobicContact CB-CB 4.19Å; H461-N466 WeakPolarHBondContact O-CB 3.46Å; H461-N466 PolarHBondContact O-N 3.24Å; L464-N466 VanDerWaalsContact C-N 3.27Å; L464-N466 PolarHBondContact O-N 3.28Å; N466-G468 VanDerWaalsContact C-N 3.26Å; N466-G468 PolarHBondContact O-N 3.23Å; N466-G468 VanDerWaalsContact O-N 3.15Å; N466-E469 PolarHBondContact O-N 2.58Å; N466-A470 PolarHBondContact O-N 2.93Å | ||
| 467 | L | 93.5 | Very high | 93.6 | Very high | 40 Ų | 40 | 45.9 Ų | 45.9 | 21% | 0.209 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.1 | -36.5 | -167.8 | -54.4 | -179.2 | 0 | 0 | 0 | 113.1 | F462 G465 E469 A470 K471 L506 A509 M510 | F462-L467 HydrophobicContact CD2-CD2 3.69Å; F462-L467 HydrophobicContact CE2-CD2 4.2Å; G465-L467 PolarHBondContact O-N 3.3Å; L467-E469 VanDerWaalsContact C-N 3.34Å; L467-E469 PolarHBondContact O-N 2.82Å; L467-A470 PolarHBondContact O-N 2.87Å; L467-K471 WeakPolarHBondContact O-CB 3.34Å; L467-K471 PolarHBondContact O-N 3.32Å; L467-L506 HydrophobicContact CD2-CG 4.44Å; L467-L506 WeakPolarHBondContact O-CD1 3.41Å; L467-A509 HydrophobicContact CD1-CB 4.37Å; L467-A509 HydrophobicContact CD2-CB 4.48Å; L467-M510 HydrophobicContact CB-CG 4.1Å; L467-M510 HydrophobicContact CB-SD 4.34Å; L467-M510 HydrophobicContact CD1-CG 3.74Å |
| 468 | G | 92.8 | Very high | 93.5 | Very high | 49 Ų | 49 | 46 Ų | 46 | 51% | 0.505 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.9 | -32.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N466 | N466-G468 VanDerWaalsContact C-N 3.26Å; N466-G468 PolarHBondContact O-N 3.23Å; N466-G468 VanDerWaalsContact O-N 3.15Å |
| 469 | E | 92.8 | Very high | 93.4 | Very high | 79 Ų | 79 | 50.2 Ų | 50.2 | 37% | 0.369 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -85.6 | -39.9 | 176.1 | -59.7 | -53.6 | 133.7 | 0 | 0 | 111 | N466 L467 K471 K472 Y473 | N466-E469 PolarHBondContact O-N 2.58Å; L467-E469 VanDerWaalsContact C-N 3.34Å; L467-E469 PolarHBondContact O-N 2.82Å; E469-K471 VanDerWaalsContact C-N 3.27Å; E469-K471 PolarHBondContact O-N 3.04Å; E469-K472 WeakPolarHBondContact O-CB 3.35Å; E469-K472 PolarHBondContact O-N 3.5Å; E469-K472 IonicContact OE1-NZ 3.84Å; E469-K472 PolarHBondContact OE1-NZ 3.41Å; E469-K472 WeakPolarHBondContact OE2-CE 3.43Å; E469-K472 IonicContact OE2-NZ 2.6Å; E469-K472 PolarHBondContact OE2-NZ 3.11Å; E469-Y473 HydrophobicContact CB-CE2 4.28Å; E469-Y473 WeakPolarHBondContact O-CD2 3.22Å; E469-Y473 PolarHBondContact O-N 2.82Å |
| 470 | A | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.9 | -39 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G458 H461 F462 N466 L467 K472 Y473 F474 L506 | G458-A470 VanDerWaalsContact O-CB 3.28Å; G458-A470 WeakPolarHBondContact O-CB 3.49Å; H461-A470 HydrophobicContact CB-CB 3.8Å; F462-A470 HydrophobicContact CB-CB 4.08Å; N466-A470 PolarHBondContact O-N 2.93Å; L467-A470 PolarHBondContact O-N 2.87Å; A470-K472 VanDerWaalsContact C-N 3.32Å; A470-K472 PolarHBondContact O-N 2.88Å; A470-Y473 PolarHBondContact O-N 3.23Å; A470-F474 HydrophobicContact CB-CE2 4.19Å; A470-F474 WeakPolarHBondContact O-CD2 3.42Å; A470-F474 WeakPolarHBondContact O-CG 3.37Å; A470-F474 PolarHBondContact O-N 2.62Å; A470-L506 HydrophobicContact CB-CD1 3.35Å |
| 471 | K | 95.5 | Very high | 93.1 | Very high | 45 Ų | 45 | 52.2 Ų | 52.2 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.4 | -40.2 | 174.4 | -166.3 | 166.9 | -176.5 | 171 | 0 | 111.9 | L467 E469 L475 L503 L506 Y507 M510 E512 | L467-K471 WeakPolarHBondContact O-CB 3.34Å; L467-K471 PolarHBondContact O-N 3.32Å; E469-K471 VanDerWaalsContact C-N 3.27Å; E469-K471 PolarHBondContact O-N 3.04Å; K471-L475 HydrophobicContact CG-CD1 4.17Å; K471-L475 WeakPolarHBondContact O-CB 3.34Å; K471-L475 VanDerWaalsContact O-CG 3.25Å; K471-L475 WeakPolarHBondContact O-CG 3.26Å; K471-L475 PolarHBondContact O-N 3.45Å; K471-L475 VanDerWaalsContact O-N 3.08Å; K471-L503 HydrophobicContact CG-CD1 4.14Å; K471-L506 HydrophobicContact CB-CD1 4.28Å; K471-L506 HydrophobicContact CB-CD2 3.76Å; K471-L506 HydrophobicContact CD-CD2 4.08Å; K471-L506 HydrophobicContact CG-CD2 4Å; K471-Y507 WeakPolarHBondContact CE-OH 3.19Å; K471-M510 HydrophobicContact CD-SD 4.19Å; K471-E512 IonicContact NZ-OE2 2.68Å; K471-E512 PolarHBondContact NZ-OE2 3.23Å |
| 472 | K | 95.3 | Very high | 92.8 | Very high | 116 Ų | 116 | 56.2 Ų | 56.2 | 50% | 0.504 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66 | -46.2 | 176.2 | -60 | 177.3 | -157.8 | 163.3 | 0 | 111.5 | E469 A470 L475 A476 | E469-K472 WeakPolarHBondContact O-CB 3.35Å; E469-K472 PolarHBondContact O-N 3.5Å; E469-K472 IonicContact OE1-NZ 3.84Å; E469-K472 PolarHBondContact OE1-NZ 3.41Å; E469-K472 WeakPolarHBondContact OE2-CE 3.43Å; E469-K472 IonicContact OE2-NZ 2.6Å; E469-K472 PolarHBondContact OE2-NZ 3.11Å; A470-K472 VanDerWaalsContact C-N 3.32Å; A470-K472 PolarHBondContact O-N 2.88Å; K472-L475 PolarHBondContact O-N 3.01Å; K472-A476 VanDerWaalsContact O-CB 3.31Å; K472-A476 WeakPolarHBondContact O-CB 3.46Å; K472-A476 PolarHBondContact O-N 3.48Å |
| 473 | Y | 95.4 | Very high | 92.4 | Very high | 78 Ų | 78 | 56 Ų | 56 | 31% | 0.306 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.5 | -39.4 | -179 | -69.1 | -59.1 | 0 | 0 | 0 | 112.6 | L454 V457 H461 E469 A470 S477 | L454-Y473 HydrophobicContact CD2-CD1 4.29Å; V457-Y473 HydrophobicContact CG1-CD1 4.14Å; V457-Y473 HydrophobicContact CG1-CD2 3.82Å; V457-Y473 HydrophobicContact CG1-CE1 4.08Å; V457-Y473 HydrophobicContact CG1-CE2 3.74Å; V457-Y473 HydrophobicContact CG1-CG 4.03Å; H461-Y473 AromaticContact CD2-CE2 3.7Å; H461-Y473 AromaticContact NE2-CE2 3.75Å; E469-Y473 HydrophobicContact CB-CE2 4.28Å; E469-Y473 WeakPolarHBondContact O-CD2 3.22Å; E469-Y473 PolarHBondContact O-N 2.82Å; A470-Y473 PolarHBondContact O-N 3.23Å; Y473-S477 WeakPolarHBondContact O-CB 3.48Å; Y473-S477 PolarHBondContact O-N 3.15Å |
| 474 | F | 96.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.2 | -40.6 | 173.7 | -63.7 | -41.8 | 0 | 0 | 0 | 112.8 | N455 G458 A459 F462 A470 S477 L478 T499 N502 L503 L506 | N455-F474 WeakPolarHBondContact O-CE1 3.3Å; G458-F474 VanDerWaalsContact C-CE1 3.47Å; A459-F474 HydrophobicContact CB-CE1 4.45Å; A459-F474 HydrophobicContact CB-CZ 4.45Å; F462-F474 HydrophobicContact CB-CE2 4.39Å; F462-F474 HydrophobicContact CB-CZ 4.36Å; A470-F474 HydrophobicContact CB-CE2 4.19Å; A470-F474 WeakPolarHBondContact O-CD2 3.42Å; A470-F474 WeakPolarHBondContact O-CG 3.37Å; A470-F474 PolarHBondContact O-N 2.62Å; F474-S477 PolarHBondContact O-N 2.87Å; F474-L478 WeakPolarHBondContact O-CG 3.34Å; F474-L478 PolarHBondContact O-N 3.36Å; F474-T499 HydrophobicContact CB-CG2 4.02Å; F474-T499 HydrophobicContact CD1-CG2 4.12Å; F474-T499 HydrophobicContact CG-CG2 4.49Å; F474-T499 VanDerWaalsContact O-CG2 3.25Å; F474-T499 WeakPolarHBondContact O-CG2 3.31Å; F474-N502 HydrophobicContact CD1-CB 4.09Å; F474-N502 HydrophobicContact CE1-CB 3.57Å; F474-N502 HydrophobicContact CE2-CB 4.2Å; F474-N502 HydrophobicContact CZ-CB 3.64Å; F474-L503 HydrophobicContact CB-CB 4.08Å; F474-L503 HydrophobicContact CB-CD1 4.19Å; F474-L503 HydrophobicContact CD2-CB 4.35Å; F474-L503 HydrophobicContact CD2-CD1 4.36Å; F474-L503 HydrophobicContact CG-CB 4.44Å; F474-L506 HydrophobicContact CD2-CB 4.33Å; F474-L506 HydrophobicContact CD2-CD1 3.86Å; F474-L506 HydrophobicContact CE2-CB 4.1Å; F474-L506 HydrophobicContact CE2-CD1 3.69Å |
| 475 | L | 94.9 | Very high | 91.8 | Very high | 69 Ų | 69 | 49.9 Ų | 49.9 | 36% | 0.361 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.6 | -46 | 175 | -71.5 | 170.4 | 0 | 0 | 0 | 111.4 | K471 K472 S477 L478 D479 L503 | K471-L475 HydrophobicContact CG-CD1 4.17Å; K471-L475 WeakPolarHBondContact O-CB 3.34Å; K471-L475 VanDerWaalsContact O-CG 3.25Å; K471-L475 WeakPolarHBondContact O-CG 3.26Å; K471-L475 PolarHBondContact O-N 3.45Å; K471-L475 VanDerWaalsContact O-N 3.08Å; K472-L475 PolarHBondContact O-N 3.01Å; L475-S477 VanDerWaalsContact C-N 3.32Å; L475-S477 PolarHBondContact O-N 3.33Å; L475-L478 PolarHBondContact O-N 2.92Å; L475-L478 VanDerWaalsContact O-N 3.15Å; L475-D479 PolarHBondContact O-N 2.89Å; L475-L503 HydrophobicContact CD2-CD2 3.83Å; L475-L503 HydrophobicContact CG-CD2 4.41Å |
| 476 | A | 93.5 | Very high | 91.3 | Very high | 46 Ų | 46 | 55.7 Ų | 55.7 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.3 | -39.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L454 K472 R480 | L454-A476 HydrophobicContact CD1-CB 4.32Å; K472-A476 VanDerWaalsContact O-CB 3.31Å; K472-A476 WeakPolarHBondContact O-CB 3.46Å; K472-A476 PolarHBondContact O-N 3.48Å; A476-R480 WeakPolarHBondContact O-CB 2.94Å; A476-R480 PolarHBondContact O-N 3.11Å |
| 477 | S | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62 | -46.2 | 172.3 | 173.7 | 0 | 0 | 0 | 0 | 112 | P451 Y473 F474 L475 D479 R480 A481 T499 | P451-S477 PolarHBondContact O-OG 3.29Å; P451-S477 VanDerWaalsContact O-OG 3.05Å; Y473-S477 WeakPolarHBondContact O-CB 3.48Å; Y473-S477 PolarHBondContact O-N 3.15Å; F474-S477 PolarHBondContact O-N 2.87Å; L475-S477 VanDerWaalsContact C-N 3.32Å; L475-S477 PolarHBondContact O-N 3.33Å; S477-D479 PolarHBondContact O-N 3.42Å; S477-R480 PolarHBondContact O-N 2.7Å; S477-A481 VanDerWaalsContact O-CB 3.29Å; S477-A481 WeakPolarHBondContact O-CB 3.38Å; S477-A481 PolarHBondContact O-N 3.37Å; S477-T499 WeakPolarHBondContact OG-CG2 3.21Å; S477-T499 PolarHBondContact OG-OG1 2.91Å; S477-T499 VanDerWaalsContact OG-OG1 3.07Å |
| 478 | L | 92.6 | Very high | 90 | Very high | 11 Ų | 11 | 61.3 Ų | 61.3 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63 | -43.1 | 177.9 | -74.8 | 172.4 | 0 | 0 | 0 | 112.6 | F474 L475 K482 S496 T499 S500 L503 | F474-L478 WeakPolarHBondContact O-CG 3.34Å; F474-L478 PolarHBondContact O-N 3.36Å; L475-L478 PolarHBondContact O-N 2.92Å; L475-L478 VanDerWaalsContact O-N 3.15Å; L478-K482 WeakPolarHBondContact O-CD 3.45Å; L478-K482 WeakPolarHBondContact O-CE 3.43Å; L478-K482 WeakPolarHBondContact O-CG 3.32Å; L478-K482 PolarHBondContact O-N 3.15Å; L478-S496 VanDerWaalsContact CD2-O 3.26Å; L478-S496 WeakPolarHBondContact CD2-O 3.31Å; L478-T499 HydrophobicContact CD1-CG2 4.48Å; L478-T499 HydrophobicContact CD2-CG2 4.02Å; L478-T499 HydrophobicContact CG-CG2 3.7Å; L478-S500 VanDerWaalsContact CD2-OG 3.29Å; L478-S500 WeakPolarHBondContact CD2-OG 3.48Å; L478-L503 HydrophobicContact CD1-CD2 3.64Å |
| 479 | D | 91.3 | Very high | 89.6 | Confident | 90 Ų | 90 | 66.3 Ų | 66.3 | 48% | 0.481 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -73.2 | -33.7 | -179 | -62.6 | -24.9 | 0 | 0 | 0 | 110.9 | L475 S477 K482 A483 | L475-D479 PolarHBondContact O-N 2.89Å; S477-D479 PolarHBondContact O-N 3.42Å; D479-K482 IonicContact OD1-NZ 2.79Å; D479-K482 PolarHBondContact OD1-NZ 3.01Å; D479-A483 PolarHBondContact O-N 3.15Å |
| 480 | R | 89.8 | Confident | 89.2 | Confident | 57 Ų | 57 | 70.1 Ų | 70.1 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.3 | -45.5 | 172.2 | -176.1 | 65.7 | -174.2 | 88 | -0.2 | 112.6 | P451 A476 S477 A483 E484 | P451-R480 HydrophobicContact CB-CB 4.39Å; P451-R480 HydrophobicContact CB-CG 4.35Å; A476-R480 WeakPolarHBondContact O-CB 2.94Å; A476-R480 PolarHBondContact O-N 3.11Å; S477-R480 PolarHBondContact O-N 2.7Å; R480-A483 PolarHBondContact O-N 3.23Å; R480-E484 VanDerWaalsContact CZ-CD 3.41Å; R480-E484 IonicContact CZ-OE1 2.7Å; R480-E484 VanDerWaalsContact CZ-OE1 3.27Å; R480-E484 IonicContact CZ-OE2 3.23Å; R480-E484 VanDerWaalsContact NH1-CG 3.31Å; R480-E484 IonicContact NH1-OE1 3.92Å; R480-E484 PolarHBondContact NH1-OE1 3.35Å; R480-E484 IonicContact NH1-OE2 2.65Å; R480-E484 PolarHBondContact NH1-OE2 3.36Å; R480-E484 VanDerWaalsContact NH2-CD 3.27Å; R480-E484 IonicContact NH2-OE1 2.86Å; R480-E484 PolarHBondContact NH2-OE1 3.22Å; R480-E484 IonicContact NH2-OE2 3.68Å; R480-E484 PolarHBondContact O-N 2.88Å; R480-E484 VanDerWaalsContact O-N 3.08Å |
| 481 | A | 90.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.3 | -37.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | P451 S477 E484 A485 Y492 I495 S496 | P451-A481 HydrophobicContact CB-CB 3.99Å; P451-A481 HydrophobicContact CG-CB 4.12Å; S477-A481 VanDerWaalsContact O-CB 3.29Å; S477-A481 WeakPolarHBondContact O-CB 3.38Å; S477-A481 PolarHBondContact O-N 3.37Å; A481-E484 CarbonylContact O-C 3.43Å; A481-E484 PolarHBondContact O-N 3.35Å; A481-A485 WeakPolarHBondContact O-CB 3.5Å; A481-A485 PolarHBondContact O-N 3.4Å; A481-Y492 HydrophobicContact CB-CD1 4.47Å; A481-I495 HydrophobicContact CB-CG2 4.44Å; A481-S496 WeakPolarHBondContact CB-OG 3.46Å |
| 482 | K | 86.8 | Confident | 88.2 | Confident | 117 Ų | 117 | 74.4 Ų | 74.4 | 51% | 0.509 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 172.3 | -70.5 | 166.5 | -152 | 154.5 | 0 | 112.8 | L478 D479 E484 A485 | L478-K482 WeakPolarHBondContact O-CD 3.45Å; L478-K482 WeakPolarHBondContact O-CE 3.43Å; L478-K482 WeakPolarHBondContact O-CG 3.32Å; L478-K482 PolarHBondContact O-N 3.15Å; D479-K482 IonicContact OD1-NZ 2.79Å; D479-K482 PolarHBondContact OD1-NZ 3.01Å; K482-E484 PolarHBondContact O-N 2.96Å; K482-A485 PolarHBondContact O-N 3.37Å |
| 483 | A | 86.9 | Confident | 87.9 | Confident | 57 Ų | 57 | 71.7 Ų | 71.7 | 47% | 0.471 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.7 | -24.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | D479 R480 | D479-A483 PolarHBondContact O-N 3.15Å; R480-A483 PolarHBondContact O-N 3.23Å |
| 484 | E | 84.4 | Confident | 87.5 | Confident | 33 Ų | 33 | 70.6 Ų | 70.6 | 15% | 0.154 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -92.3 | -18.6 | 178.7 | -131.5 | 160.8 | -157.4 | 0 | 0 | 113.5 | P451 R480 A481 K482 E486 H487 Y492 | P451-E484 WeakPolarHBondContact CD-OE2 3.4Å; R480-E484 VanDerWaalsContact CZ-CD 3.41Å; R480-E484 IonicContact CZ-OE1 2.7Å; R480-E484 VanDerWaalsContact CZ-OE1 3.27Å; R480-E484 IonicContact CZ-OE2 3.23Å; R480-E484 VanDerWaalsContact NH1-CG 3.31Å; R480-E484 IonicContact NH1-OE1 3.92Å; R480-E484 PolarHBondContact NH1-OE1 3.35Å; R480-E484 IonicContact NH1-OE2 2.65Å; R480-E484 PolarHBondContact NH1-OE2 3.36Å; R480-E484 VanDerWaalsContact NH2-CD 3.27Å; R480-E484 IonicContact NH2-OE1 2.86Å; R480-E484 PolarHBondContact NH2-OE1 3.22Å; R480-E484 IonicContact NH2-OE2 3.68Å; R480-E484 PolarHBondContact O-N 2.88Å; R480-E484 VanDerWaalsContact O-N 3.08Å; A481-E484 CarbonylContact O-C 3.43Å; A481-E484 PolarHBondContact O-N 3.35Å; K482-E484 PolarHBondContact O-N 2.96Å; E484-E486 PolarHBondContact O-N 2.83Å; E484-E486 VanDerWaalsContact O-N 3.08Å; E484-H487 WeakPolarHBondContact O-CB 3.35Å; E484-H487 PolarHBondContact O-N 3.4Å; E484-Y492 VanDerWaalsContact C-CD2 3.46Å; E484-Y492 HydrophobicContact CB-CD1 3.82Å; E484-Y492 HydrophobicContact CB-CD2 3.79Å; E484-Y492 HydrophobicContact CB-CE1 3.71Å; E484-Y492 HydrophobicContact CB-CE2 3.71Å; E484-Y492 HydrophobicContact CB-CG 3.87Å; E484-Y492 HydrophobicContact CG-CD1 4.41Å; E484-Y492 HydrophobicContact CG-CD2 4.22Å; E484-Y492 HydrophobicContact CG-CE1 3.79Å; E484-Y492 HydrophobicContact CG-CE2 3.59Å; E484-Y492 WeakPolarHBondContact CG-OH 3.47Å; E484-Y492 WeakPolarHBondContact O-CD2 3.5Å; E484-Y492 WeakPolarHBondContact O-CE2 3.37Å; E484-Y492 WeakPolarHBondContact OE2-CE1 3.14Å; E484-Y492 PolarHBondContact OE2-OH 3.31Å |
| 485 | A | 82.2 | Confident | 87.3 | Confident | 33 Ų | 33 | 71.4 Ų | 71.4 | 27% | 0.273 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -16 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A481 K482 H487 E489 | A481-A485 WeakPolarHBondContact O-CB 3.5Å; A481-A485 PolarHBondContact O-N 3.4Å; K482-A485 PolarHBondContact O-N 3.37Å; A485-H487 PolarHBondContact O-N 2.92Å; A485-E489 PolarHBondContact O-N 3.24Å |
| 486 | E | 79.1 | Confident | 87.1 | Confident | 173 Ų | 173 | 68.9 Ų | 68.9 | 81% | 0.808 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -17.8 | 167.6 | -61.7 | -174 | 176.2 | 0 | 0 | 113.2 | E484 | E484-E486 PolarHBondContact O-N 2.83Å; E484-E486 VanDerWaalsContact O-N 3.08Å |
| 487 | H | 76.9 | Confident | 87 | Confident | 157 Ų | 157 | 67.2 Ų | 67.2 | 73% | 0.727 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -42.6 | -177.3 | -60.9 | 61.8 | 0 | 0 | 0 | 112.5 | E484 A485 | E484-H487 WeakPolarHBondContact O-CB 3.35Å; E484-H487 PolarHBondContact O-N 3.4Å; A485-H487 PolarHBondContact O-N 2.92Å |
| 488 | D | 83.1 | Confident | 87 | Confident | 77 Ų | 77 | 70 Ų | 70 | 41% | 0.412 | 36% | 0.357 | S | S | . | . | trans | -146.1 | 94.9 | 172.1 | -173 | -29.2 | 0 | 0 | 0 | 110.3 | H490 Y491 Y492 | D488-H490 VanDerWaalsContact C-N 3.26Å; D488-H490 PolarHBondContact O-N 2.78Å; D488-H490 PolarHBondContact OD1-N 3.16Å; D488-Y491 VanDerWaalsContact CG-CB 3.43Å; D488-Y491 PolarHBondContact OD1-N 2.8Å; D488-Y492 HydrophobicContact CB-CD2 4.17Å; D488-Y492 HydrophobicContact CB-CE2 4.25Å; D488-Y492 WeakPolarHBondContact O-CD2 3.28Å; D488-Y492 PolarHBondContact O-N 2.86Å; D488-Y492 VanDerWaalsContact O-N 3.12Å | ||
| 489 | E | 84 | Confident | 87.1 | Confident | 153 Ų | 153 | 69.5 Ų | 69.5 | 72% | 0.715 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -56.9 | -38.8 | -179.4 | -174.2 | -177.3 | -177.1 | 0 | 0 | 112.2 | A485 N493 | A485-E489 PolarHBondContact O-N 3.24Å; E489-N493 WeakPolarHBondContact O-CB 3.11Å; E489-N493 PolarHBondContact O-N 2.86Å |
| 490 | H | 82.9 | Confident | 87.2 | Confident | 159 Ų | 159 | 66.1 Ų | 66.1 | 74% | 0.736 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -73.6 | -46.8 | -173.4 | -170.5 | 69.4 | 0 | 0 | 0 | 111.6 | D488 A494 | D488-H490 VanDerWaalsContact C-N 3.26Å; D488-H490 PolarHBondContact O-N 2.78Å; D488-H490 PolarHBondContact OD1-N 3.16Å; H490-A494 PolarHBondContact O-N 2.96Å |
| 491 | Y | 85.2 | Confident | 87.5 | Confident | 98 Ų | 98 | 64.2 Ų | 64.2 | 38% | 0.384 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.2 | -49.5 | 179.6 | -178.5 | -109.4 | 0 | 0 | 0 | 111.7 | E452 D488 N493 A494 I495 | E452-Y491 PolarHBondContact OE1-OH 3.26Å; E452-Y491 PolarHBondContact OE2-OH 2.81Å; D488-Y491 VanDerWaalsContact CG-CB 3.43Å; D488-Y491 PolarHBondContact OD1-N 2.8Å; Y491-N493 PolarHBondContact O-N 3.12Å; Y491-A494 PolarHBondContact O-N 3.16Å; Y491-I495 HydrophobicContact CD1-CD1 3.91Å; Y491-I495 HydrophobicContact CE1-CD1 3.53Å; Y491-I495 HydrophobicContact CE2-CD1 4.37Å; Y491-I495 HydrophobicContact CG-CD1 4.48Å; Y491-I495 PolarHBondContact O-N 3.03Å |
| 492 | Y | 87.1 | Confident | 87.8 | Confident | 37 Ų | 37 | 65.9 Ų | 65.9 | 15% | 0.145 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -74.9 | -23.1 | -177.8 | -67.7 | -66.9 | 0 | 0 | 0 | 113.7 | P451 A481 E484 D488 I495 S496 | P451-Y492 HydrophobicContact CG-CD1 4.12Å; P451-Y492 HydrophobicContact CG-CE1 4.04Å; A481-Y492 HydrophobicContact CB-CD1 4.47Å; E484-Y492 VanDerWaalsContact C-CD2 3.46Å; E484-Y492 HydrophobicContact CB-CD1 3.82Å; E484-Y492 HydrophobicContact CB-CD2 3.79Å; E484-Y492 HydrophobicContact CB-CE1 3.71Å; E484-Y492 HydrophobicContact CB-CE2 3.71Å; E484-Y492 HydrophobicContact CB-CG 3.87Å; E484-Y492 HydrophobicContact CG-CD1 4.41Å; E484-Y492 HydrophobicContact CG-CD2 4.22Å; E484-Y492 HydrophobicContact CG-CE1 3.79Å; E484-Y492 HydrophobicContact CG-CE2 3.59Å; E484-Y492 WeakPolarHBondContact CG-OH 3.47Å; E484-Y492 WeakPolarHBondContact O-CD2 3.5Å; E484-Y492 WeakPolarHBondContact O-CE2 3.37Å; E484-Y492 WeakPolarHBondContact OE2-CE1 3.14Å; E484-Y492 PolarHBondContact OE2-OH 3.31Å; D488-Y492 HydrophobicContact CB-CD2 4.17Å; D488-Y492 HydrophobicContact CB-CE2 4.25Å; D488-Y492 WeakPolarHBondContact O-CD2 3.28Å; D488-Y492 PolarHBondContact O-N 2.86Å; D488-Y492 VanDerWaalsContact O-N 3.12Å; Y492-I495 HydrophobicContact CD1-CD1 3.92Å; Y492-I495 HydrophobicContact CE1-CD1 4.21Å; Y492-S496 VanDerWaalsContact O-CB 3.31Å; Y492-S496 WeakPolarHBondContact O-CB 3.21Å; Y492-S496 PolarHBondContact O-N 2.85Å; Y492-S496 PolarHBondContact O-OG 3.28Å |
| 493 | N | 87.5 | Confident | 88.2 | Confident | 60 Ų | 60 | 60.5 Ų | 60.5 | 32% | 0.321 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 168 | -172.5 | 19.8 | 0 | 0 | 0 | 111.3 | E489 Y491 I495 S496 V497 | E489-N493 WeakPolarHBondContact O-CB 3.11Å; E489-N493 PolarHBondContact O-N 2.86Å; Y491-N493 PolarHBondContact O-N 3.12Å; N493-I495 VanDerWaalsContact C-N 3.28Å; N493-I495 PolarHBondContact O-N 2.85Å; N493-S496 CarbonylContact O-C 3.21Å; N493-S496 WeakPolarHBondContact O-CA 3.02Å; N493-S496 WeakPolarHBondContact O-CB 3.12Å; N493-S496 PolarHBondContact O-N 3.12Å; N493-V497 WeakPolarHBondContact O-CG2 3.3Å; N493-V497 PolarHBondContact O-N 3.13Å |
| 494 | A | 88.2 | Confident | 88.6 | Confident | 54 Ų | 54 | 57.8 Ų | 57.8 | 45% | 0.446 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.7 | -38.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | H490 Y491 T498 | H490-A494 PolarHBondContact O-N 2.96Å; Y491-A494 PolarHBondContact O-N 3.16Å; A494-T498 WeakPolarHBondContact O-CB 3.28Å; A494-T498 PolarHBondContact O-N 2.81Å; A494-T498 VanDerWaalsContact O-N 3.15Å; A494-T498 PolarHBondContact O-OG1 3.08Å |
| 495 | I | 90.6 | Very high | 89.1 | Confident | 18 Ų | 18 | 57.3 Ų | 57.3 | 9% | 0.092 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.9 | -39.9 | 172.9 | -62.8 | 164.1 | 0 | 0 | 0 | 111.1 | P451 E452 A481 Y491 Y492 N493 T498 T499 | P451-I495 HydrophobicContact CB-CG2 3.94Å; P451-I495 HydrophobicContact CG-CD1 4.43Å; P451-I495 HydrophobicContact CG-CG2 4.07Å; E452-I495 HydrophobicContact CG-CD1 3.89Å; E452-I495 HydrophobicContact CG-CG1 4.31Å; A481-I495 HydrophobicContact CB-CG2 4.44Å; Y491-I495 HydrophobicContact CD1-CD1 3.91Å; Y491-I495 HydrophobicContact CE1-CD1 3.53Å; Y491-I495 HydrophobicContact CE2-CD1 4.37Å; Y491-I495 HydrophobicContact CG-CD1 4.48Å; Y491-I495 PolarHBondContact O-N 3.03Å; Y492-I495 HydrophobicContact CD1-CD1 3.92Å; Y492-I495 HydrophobicContact CE1-CD1 4.21Å; N493-I495 VanDerWaalsContact C-N 3.28Å; N493-I495 PolarHBondContact O-N 2.85Å; I495-T498 PolarHBondContact O-N 3.4Å; I495-T499 WeakPolarHBondContact O-CB 3.47Å; I495-T499 PolarHBondContact O-N 2.79Å; I495-T499 PolarHBondContact O-OG1 3.24Å |
| 496 | S | 91 | Very high | 89.7 | Confident | 17 Ų | 17 | 55.7 Ų | 55.7 | 12% | 0.119 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 178 | -63 | 0 | 0 | 0 | 0 | 112.8 | L478 A481 Y492 N493 S500 | L478-S496 VanDerWaalsContact CD2-O 3.26Å; L478-S496 WeakPolarHBondContact CD2-O 3.31Å; A481-S496 WeakPolarHBondContact CB-OG 3.46Å; Y492-S496 VanDerWaalsContact O-CB 3.31Å; Y492-S496 WeakPolarHBondContact O-CB 3.21Å; Y492-S496 PolarHBondContact O-N 2.85Å; Y492-S496 PolarHBondContact O-OG 3.28Å; N493-S496 CarbonylContact O-C 3.21Å; N493-S496 WeakPolarHBondContact O-CA 3.02Å; N493-S496 WeakPolarHBondContact O-CB 3.12Å; N493-S496 PolarHBondContact O-N 3.12Å; S496-S500 VanDerWaalsContact O-CB 3.24Å; S496-S500 WeakPolarHBondContact O-CB 3.32Å; S496-S500 PolarHBondContact O-N 3.28Å; S496-S500 PolarHBondContact O-OG 2.93Å |
| 497 | V | 92.3 | Very high | 90.4 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -49.4 | 173.4 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | N493 T499 S500 Y501 I523 H527 Y530 | N493-V497 WeakPolarHBondContact O-CG2 3.3Å; N493-V497 PolarHBondContact O-N 3.13Å; V497-T499 VanDerWaalsContact C-N 3.35Å; V497-T499 PolarHBondContact O-N 2.95Å; V497-S500 PolarHBondContact O-N 3.03Å; V497-Y501 WeakPolarHBondContact O-CB 3.45Å; V497-Y501 PolarHBondContact O-N 3.1Å; V497-I523 HydrophobicContact CG1-CG2 3.97Å; V497-H527 VanDerWaalsContact CG2-CD2 3.41Å; V497-H527 WeakPolarHBondContact CG2-CD2 3.44Å; V497-H527 WeakPolarHBondContact CG2-NE2 3.43Å; V497-Y530 HydrophobicContact CG1-CD2 4.45Å; V497-Y530 HydrophobicContact CG1-CE2 4.28Å |
| 498 | T | 93.7 | Very high | 91.2 | Very high | 59 Ų | 59 | 42.7 Ų | 42.7 | 36% | 0.362 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 179.3 | -57 | 0 | 0 | 0 | 0 | 111.7 | A494 I495 Y501 N502 | A494-T498 WeakPolarHBondContact O-CB 3.28Å; A494-T498 PolarHBondContact O-N 2.81Å; A494-T498 VanDerWaalsContact O-N 3.15Å; A494-T498 PolarHBondContact O-OG1 3.08Å; I495-T498 PolarHBondContact O-N 3.4Å; T498-Y501 WeakPolarHBondContact O-CB 3.29Å; T498-Y501 PolarHBondContact O-N 3.26Å; T498-N502 PolarHBondContact O-N 2.92Å; T498-N502 PolarHBondContact O-ND2 3.27Å |
| 499 | T | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.3 | -38.4 | 177.2 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | F474 S477 L478 I495 V497 Y501 N502 L503 | F474-T499 HydrophobicContact CB-CG2 4.02Å; F474-T499 HydrophobicContact CD1-CG2 4.12Å; F474-T499 HydrophobicContact CG-CG2 4.49Å; F474-T499 VanDerWaalsContact O-CG2 3.25Å; F474-T499 WeakPolarHBondContact O-CG2 3.31Å; S477-T499 WeakPolarHBondContact OG-CG2 3.21Å; S477-T499 PolarHBondContact OG-OG1 2.91Å; S477-T499 VanDerWaalsContact OG-OG1 3.07Å; L478-T499 HydrophobicContact CD1-CG2 4.48Å; L478-T499 HydrophobicContact CD2-CG2 4.02Å; L478-T499 HydrophobicContact CG-CG2 3.7Å; I495-T499 WeakPolarHBondContact O-CB 3.47Å; I495-T499 PolarHBondContact O-N 2.79Å; I495-T499 PolarHBondContact O-OG1 3.24Å; V497-T499 VanDerWaalsContact C-N 3.35Å; V497-T499 PolarHBondContact O-N 2.95Å; T499-Y501 VanDerWaalsContact C-N 3.33Å; T499-Y501 PolarHBondContact O-N 3.3Å; T499-N502 PolarHBondContact O-N 3.25Å; T499-L503 WeakPolarHBondContact O-CB 3.2Å; T499-L503 PolarHBondContact O-N 2.85Å |
| 500 | S | 94.4 | Very high | 91.8 | Very high | 20 Ų | 20 | 37.2 Ų | 37.2 | 14% | 0.14 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.1 | -38.6 | 175.2 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | L478 S496 V497 L503 A504 L519 | L478-S500 VanDerWaalsContact CD2-OG 3.29Å; L478-S500 WeakPolarHBondContact CD2-OG 3.48Å; S496-S500 VanDerWaalsContact O-CB 3.24Å; S496-S500 WeakPolarHBondContact O-CB 3.32Å; S496-S500 PolarHBondContact O-N 3.28Å; S496-S500 PolarHBondContact O-OG 2.93Å; V497-S500 PolarHBondContact O-N 3.03Å; S500-L503 PolarHBondContact O-N 2.92Å; S500-A504 WeakPolarHBondContact O-CB 3.38Å; S500-A504 PolarHBondContact O-N 3.36Å; S500-L519 VanDerWaalsContact O-CD2 3.3Å; S500-L519 WeakPolarHBondContact O-CD2 3.44Å |
| 501 | Y | 95.8 | Very high | 92 | Very high | 17 Ų | 17 | 33.3 Ų | 33.3 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64 | -44.9 | 174.5 | 178 | -109 | 0 | 0 | 0 | 112.1 | V497 T498 T499 A504 R505 Y520 Y530 D532 | V497-Y501 WeakPolarHBondContact O-CB 3.45Å; V497-Y501 PolarHBondContact O-N 3.1Å; T498-Y501 WeakPolarHBondContact O-CB 3.29Å; T498-Y501 PolarHBondContact O-N 3.26Å; T499-Y501 VanDerWaalsContact C-N 3.33Å; T499-Y501 PolarHBondContact O-N 3.3Å; Y501-A504 PolarHBondContact O-N 3.14Å; Y501-R505 VanDerWaalsContact CZ-NH1 3.29Å; Y501-R505 PolarHBondContact O-N 3.12Å; Y501-R505 PolarHBondContact OH-NH1 3.32Å; Y501-R505 PolarHBondContact OH-NH2 2.95Å; Y501-Y520 HydrophobicContact CD2-CD1 4.26Å; Y501-Y520 AromaticContact CD2-CE1 3.84Å; Y501-Y520 HydrophobicContact CD2-CE1 3.84Å; Y501-Y520 HydrophobicContact CE2-CE1 4.05Å; Y501-Y530 AromaticContact CD2-CE1 3.68Å; Y501-Y530 HydrophobicContact CD2-CE1 3.68Å; Y501-Y530 AromaticContact CE2-CE1 3.75Å; Y501-Y530 HydrophobicContact CE2-CE1 3.75Å; Y501-Y530 HydrophobicContact CG-CE1 4.09Å; Y501-D532 HydrophobicContact CE2-CB 4.05Å; Y501-D532 WeakPolarHBondContact OH-CB 3.45Å; Y501-D532 PolarHBondContact OH-OD2 3.36Å |
| 502 | N | 95.8 | Very high | 92.3 | Very high | 35 Ų | 35 | 32 Ų | 32 | 19% | 0.187 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.9 | -36.1 | 175.2 | -73.9 | -24.6 | 0 | 0 | 0 | 112.6 | N455 F474 T498 T499 R505 L506 | N455-N502 PolarHBondContact OD1-ND2 3.23Å; F474-N502 HydrophobicContact CD1-CB 4.09Å; F474-N502 HydrophobicContact CE1-CB 3.57Å; F474-N502 HydrophobicContact CE2-CB 4.2Å; F474-N502 HydrophobicContact CZ-CB 3.64Å; T498-N502 PolarHBondContact O-N 2.92Å; T498-N502 PolarHBondContact O-ND2 3.27Å; T499-N502 PolarHBondContact O-N 3.25Å; N502-R505 WeakPolarHBondContact O-CB 3.21Å; N502-R505 PolarHBondContact O-N 3.19Å; N502-L506 PolarHBondContact O-N 3.41Å |
| 503 | L | 95.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.3 | -39.7 | 172.6 | -179.1 | 56.7 | 0 | 0 | 0 | 111.5 | K471 F474 L475 L478 T499 S500 R505 L506 Y507 L519 | K471-L503 HydrophobicContact CG-CD1 4.14Å; F474-L503 HydrophobicContact CB-CB 4.08Å; F474-L503 HydrophobicContact CB-CD1 4.19Å; F474-L503 HydrophobicContact CD2-CB 4.35Å; F474-L503 HydrophobicContact CD2-CD1 4.36Å; F474-L503 HydrophobicContact CG-CB 4.44Å; L475-L503 HydrophobicContact CD2-CD2 3.83Å; L475-L503 HydrophobicContact CG-CD2 4.41Å; L478-L503 HydrophobicContact CD1-CD2 3.64Å; T499-L503 WeakPolarHBondContact O-CB 3.2Å; T499-L503 PolarHBondContact O-N 2.85Å; S500-L503 PolarHBondContact O-N 2.92Å; L503-R505 PolarHBondContact O-N 3.01Å; L503-L506 HydrophobicContact CD1-CD2 4.43Å; L503-L506 WeakPolarHBondContact O-CB 3.49Å; L503-L506 PolarHBondContact O-N 3.21Å; L503-L506 VanDerWaalsContact O-N 3.11Å; L503-Y507 HydrophobicContact CD1-CD2 4Å; L503-Y507 HydrophobicContact CD1-CE2 3.63Å; L503-Y507 HydrophobicContact CD2-CE2 4.07Å; L503-Y507 HydrophobicContact CG-CD2 3.87Å; L503-Y507 HydrophobicContact CG-CE2 3.55Å; L503-Y507 WeakPolarHBondContact O-CD2 3.01Å; L503-Y507 PolarHBondContact O-N 3.29Å; L503-L519 HydrophobicContact CB-CD2 3.95Å; L503-L519 HydrophobicContact CD2-CD2 3.94Å; L503-L519 HydrophobicContact CG-CD2 3.8Å |
| 504 | A | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.6 | -37.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S500 Y501 L506 Y507 E508 L519 Y520 | S500-A504 WeakPolarHBondContact O-CB 3.38Å; S500-A504 PolarHBondContact O-N 3.36Å; Y501-A504 PolarHBondContact O-N 3.14Å; A504-L506 VanDerWaalsContact C-N 3.29Å; A504-L506 PolarHBondContact O-N 2.89Å; A504-Y507 PolarHBondContact O-N 2.88Å; A504-E508 WeakPolarHBondContact O-CB 3.48Å; A504-E508 PolarHBondContact O-N 2.94Å; A504-L519 HydrophobicContact CB-CB 4.05Å; A504-L519 HydrophobicContact CB-CD2 4.06Å; A504-L519 HydrophobicContact CB-CG 4.28Å; A504-Y520 HydrophobicContact CB-CD1 3.58Å; A504-Y520 HydrophobicContact CB-CD2 4.29Å; A504-Y520 HydrophobicContact CB-CE1 3.25Å; A504-Y520 HydrophobicContact CB-CE2 4.01Å; A504-Y520 HydrophobicContact CB-CG 4.09Å; A504-Y520 VanDerWaalsContact CB-CZ 3.47Å |
| 505 | R | 95.4 | Very high | 92.9 | Very high | 22 Ų | 22 | 40 Ų | 40 | 8% | 0.083 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.8 | -39.4 | 168.4 | -85.3 | -66.4 | 128.3 | 55.5 | 44 | 113 | F462 Y501 N502 L503 E508 A509 Y520 R536 | F462-R505 HydrophobicContact CE2-CB 4.4Å; F462-R505 HydrophobicContact CZ-CB 4.06Å; Y501-R505 VanDerWaalsContact CZ-NH1 3.29Å; Y501-R505 PolarHBondContact O-N 3.12Å; Y501-R505 PolarHBondContact OH-NH1 3.32Å; Y501-R505 PolarHBondContact OH-NH2 2.95Å; N502-R505 WeakPolarHBondContact O-CB 3.21Å; N502-R505 PolarHBondContact O-N 3.19Å; L503-R505 PolarHBondContact O-N 3.01Å; R505-E508 IonicContact CZ-OE2 3.6Å; R505-E508 IonicContact NE-OE1 2.68Å; R505-E508 IonicContact NE-OE2 2.66Å; R505-E508 PolarHBondContact NE-OE2 2.78Å; R505-E508 WeakPolarHBondContact O-CB 3.07Å; R505-A509 WeakPolarHBondContact O-CB 3.42Å; R505-A509 PolarHBondContact O-N 3Å; R505-Y520 VanDerWaalsContact CZ-OH 3.29Å; R505-Y520 PolarHBondContact N-OH 3.01Å; R505-Y520 PolarHBondContact NE-OH 3.03Å; R505-Y520 VanDerWaalsContact NH2-CZ 3.35Å; R505-Y520 PolarHBondContact NH2-OH 2.98Å; R505-R536 VanDerWaalsContact CZ-CG 3.46Å; R505-R536 VanDerWaalsContact NH2-CB 3.32Å |
| 506 | L | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.4 | -41.1 | 178.2 | -175.7 | 144.5 | 0 | 0 | 0 | 111.6 | F462 L467 A470 K471 F474 N502 L503 A504 A509 M510 | F462-L506 HydrophobicContact CD2-CB 4.08Å; F462-L506 HydrophobicContact CD2-CD1 4.32Å; F462-L506 HydrophobicContact CD2-CG 4.32Å; F462-L506 HydrophobicContact CE2-CB 4.37Å; L467-L506 HydrophobicContact CD2-CG 4.44Å; L467-L506 WeakPolarHBondContact O-CD1 3.41Å; A470-L506 HydrophobicContact CB-CD1 3.35Å; K471-L506 HydrophobicContact CB-CD1 4.28Å; K471-L506 HydrophobicContact CB-CD2 3.76Å; K471-L506 HydrophobicContact CD-CD2 4.08Å; K471-L506 HydrophobicContact CG-CD2 4Å; F474-L506 HydrophobicContact CD2-CB 4.33Å; F474-L506 HydrophobicContact CD2-CD1 3.86Å; F474-L506 HydrophobicContact CE2-CB 4.1Å; F474-L506 HydrophobicContact CE2-CD1 3.69Å; N502-L506 PolarHBondContact O-N 3.41Å; L503-L506 HydrophobicContact CD1-CD2 4.43Å; L503-L506 WeakPolarHBondContact O-CB 3.49Å; L503-L506 PolarHBondContact O-N 3.21Å; L503-L506 VanDerWaalsContact O-N 3.11Å; A504-L506 VanDerWaalsContact C-N 3.29Å; A504-L506 PolarHBondContact O-N 2.89Å; L506-A509 PolarHBondContact O-N 3.04Å; L506-M510 HydrophobicContact CD2-CG 4.18Å; L506-M510 HydrophobicContact CD2-SD 3.48Å; L506-M510 WeakPolarHBondContact CD2-SD 3.19Å; L506-M510 HydrophobicContact CG-SD 4.49Å; L506-M510 WeakPolarHBondContact O-CB 3.34Å; L506-M510 WeakPolarHBondContact O-CG 3.47Å; L506-M510 PolarHBondContact O-N 2.83Å |
| 507 | Y | 94 | Very high | 93.2 | Very high | 23 Ų | 23 | 40.2 Ų | 40.2 | 9% | 0.09 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 172.9 | -77.9 | -65.2 | 0 | 0 | 0 | 112.9 | K471 L503 A504 A509 M510 C511 E512 E515 L519 | K471-Y507 WeakPolarHBondContact CE-OH 3.19Å; L503-Y507 HydrophobicContact CD1-CD2 4Å; L503-Y507 HydrophobicContact CD1-CE2 3.63Å; L503-Y507 HydrophobicContact CD2-CE2 4.07Å; L503-Y507 HydrophobicContact CG-CD2 3.87Å; L503-Y507 HydrophobicContact CG-CE2 3.55Å; L503-Y507 WeakPolarHBondContact O-CD2 3.01Å; L503-Y507 PolarHBondContact O-N 3.29Å; A504-Y507 PolarHBondContact O-N 2.88Å; Y507-A509 VanDerWaalsContact C-N 3.33Å; Y507-A509 PolarHBondContact O-N 3.29Å; Y507-M510 PolarHBondContact O-N 2.77Å; Y507-C511 PolarHBondContact O-N 3.5Å; Y507-E512 HydrophobicContact CD1-CB 3.73Å; Y507-E512 WeakPolarHBondContact CD1-OE2 3.29Å; Y507-E512 HydrophobicContact CE1-CB 4.48Å; Y507-E512 WeakPolarHBondContact CE1-OE2 3.23Å; Y507-E512 PolarHBondContact O-N 3.08Å; Y507-E515 HydrophobicContact CD1-CB 3.72Å; Y507-E515 HydrophobicContact CD2-CB 4.28Å; Y507-E515 HydrophobicContact CE1-CB 3.68Å; Y507-E515 HydrophobicContact CE1-CG 4.22Å; Y507-E515 WeakPolarHBondContact CE1-OE2 3.31Å; Y507-E515 HydrophobicContact CE2-CB 4.32Å; Y507-E515 HydrophobicContact CG-CB 3.99Å; Y507-E515 PolarHBondContact OH-OE2 3.39Å; Y507-L519 HydrophobicContact CD2-CD2 4.29Å; Y507-L519 HydrophobicContact CE2-CD2 4.32Å |
| 508 | E | 92.8 | Very high | 93.3 | Very high | 34 Ų | 34 | 46.3 Ų | 46.3 | 16% | 0.159 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.5 | -46.9 | 171.5 | 179.3 | -175.1 | 148 | 0 | 0 | 110.7 | A504 R505 C511 A516 Y520 R536 M540 | A504-E508 WeakPolarHBondContact O-CB 3.48Å; A504-E508 PolarHBondContact O-N 2.94Å; R505-E508 IonicContact CZ-OE2 3.6Å; R505-E508 IonicContact NE-OE1 2.68Å; R505-E508 IonicContact NE-OE2 2.66Å; R505-E508 PolarHBondContact NE-OE2 2.78Å; R505-E508 WeakPolarHBondContact O-CB 3.07Å; E508-C511 PolarHBondContact O-N 2.91Å; E508-A516 HydrophobicContact CB-CB 4.32Å; E508-Y520 PolarHBondContact OE2-OH 3.04Å; E508-R536 IonicContact OE1-CZ 3.99Å; E508-R536 IonicContact OE1-NH1 2.68Å; E508-R536 PolarHBondContact OE1-NH1 2.95Å; E508-M540 HydrophobicContact CB-SD 4.36Å; E508-M540 HydrophobicContact CG-CG 4.18Å; E508-M540 HydrophobicContact CG-SD 4.17Å |
| 509 | A | 90.3 | Very high | 93.4 | Very high | 50 Ų | 50 | 45 Ų | 45 | 41% | 0.413 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -72.1 | -29.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | F462 L467 R505 L506 Y507 C511 | F462-A509 HydrophobicContact CE2-CB 3.73Å; F462-A509 HydrophobicContact CZ-CB 4.39Å; L467-A509 HydrophobicContact CD1-CB 4.37Å; L467-A509 HydrophobicContact CD2-CB 4.48Å; R505-A509 WeakPolarHBondContact O-CB 3.42Å; R505-A509 PolarHBondContact O-N 3Å; L506-A509 PolarHBondContact O-N 3.04Å; Y507-A509 VanDerWaalsContact C-N 3.33Å; Y507-A509 PolarHBondContact O-N 3.29Å; A509-C511 PolarHBondContact O-N 3.13Å |
| 510 | M | 89.9 | Confident | 93.5 | Very high | 64 Ų | 64 | 45 Ų | 45 | 32% | 0.315 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -4.9 | 172.4 | -76.9 | -174.7 | 57.8 | 0 | 0 | 113.3 | L467 K471 L506 Y507 E512 | L467-M510 HydrophobicContact CB-CG 4.1Å; L467-M510 HydrophobicContact CB-SD 4.34Å; L467-M510 HydrophobicContact CD1-CG 3.74Å; K471-M510 HydrophobicContact CD-SD 4.19Å; L506-M510 HydrophobicContact CD2-CG 4.18Å; L506-M510 HydrophobicContact CD2-SD 3.48Å; L506-M510 WeakPolarHBondContact CD2-SD 3.19Å; L506-M510 HydrophobicContact CG-SD 4.49Å; L506-M510 WeakPolarHBondContact O-CB 3.34Å; L506-M510 WeakPolarHBondContact O-CG 3.47Å; L506-M510 PolarHBondContact O-N 2.83Å; Y507-M510 PolarHBondContact O-N 2.77Å; M510-E512 HydrophobicContact CB-CB 4.45Å; M510-E512 HydrophobicContact CB-CG 4.28Å; M510-E512 WeakPolarHBondContact CE-OE2 3.35Å; M510-E512 PolarHBondContact O-N 2.69Å |
| 511 | C | 86.3 | Confident | 93.5 | Very high | 78 Ų | 78 | 48.5 Ų | 48.5 | 53% | 0.527 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 16.7 | -170 | -53 | 0 | 0 | 0 | 0 | 114.1 | Y507 E508 A509 F513 | Y507-C511 PolarHBondContact O-N 3.5Å; E508-C511 PolarHBondContact O-N 2.91Å; A509-C511 PolarHBondContact O-N 3.13Å; C511-F513 HydrophobicContact CB-CD2 4.45Å; C511-F513 HydrophobicContact CB-CE2 3.76Å; C511-F513 HydrophobicContact CB-CZ 3.95Å; C511-F513 VanDerWaalsContact O-CD2 3.26Å; C511-F513 WeakPolarHBondContact O-CD2 3.26Å; C511-F513 PolarHBondContact O-N 2.9Å |
| 512 | E | 92.1 | Very high | 93.4 | Very high | 70 Ų | 70 | 50 Ų | 50 | 33% | 0.327 | 25% | 0.247 | S | C | . | . | trans | -84.4 | 51.6 | 174 | -74.8 | 178 | 173.2 | 0 | 0 | 109.6 | K471 Y507 M510 H514 E515 A516 | K471-E512 IonicContact NZ-OE2 2.68Å; K471-E512 PolarHBondContact NZ-OE2 3.23Å; Y507-E512 HydrophobicContact CD1-CB 3.73Å; Y507-E512 WeakPolarHBondContact CD1-OE2 3.29Å; Y507-E512 HydrophobicContact CE1-CB 4.48Å; Y507-E512 WeakPolarHBondContact CE1-OE2 3.23Å; Y507-E512 PolarHBondContact O-N 3.08Å; M510-E512 HydrophobicContact CB-CB 4.45Å; M510-E512 HydrophobicContact CB-CG 4.28Å; M510-E512 WeakPolarHBondContact CE-OE2 3.35Å; M510-E512 PolarHBondContact O-N 2.69Å; E512-H514 PolarHBondContact O-N 3.45Å; E512-E515 PolarHBondContact O-N 2.78Å; E512-A516 PolarHBondContact O-N 2.79Å | ||
| 513 | F | 90.3 | Very high | 93.3 | Very high | 81 Ų | 81 | 48.4 Ų | 48.4 | 36% | 0.355 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55.7 | -29.3 | -167.7 | -58 | -68.2 | 0 | 0 | 0 | 114.4 | C511 A516 E517 M540 | C511-F513 HydrophobicContact CB-CD2 4.45Å; C511-F513 HydrophobicContact CB-CE2 3.76Å; C511-F513 HydrophobicContact CB-CZ 3.95Å; C511-F513 VanDerWaalsContact O-CD2 3.26Å; C511-F513 WeakPolarHBondContact O-CD2 3.26Å; C511-F513 PolarHBondContact O-N 2.9Å; F513-A516 PolarHBondContact O-N 3.34Å; F513-E517 WeakPolarHBondContact O-CB 3.49Å; F513-E517 VanDerWaalsContact O-CG 3.28Å; F513-E517 WeakPolarHBondContact O-CG 3.48Å; F513-E517 PolarHBondContact O-N 3.2Å; F513-M540 HydrophobicContact CD1-CG 4.35Å; F513-M540 HydrophobicContact CD1-SD 4Å |
| 514 | H | 92.3 | Very high | 93.2 | Very high | 149 Ų | 149 | 49.1 Ų | 49.1 | 69% | 0.69 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -70.3 | -37 | 178.5 | -172.5 | 62.9 | 0 | 0 | 0 | 112.8 | E512 K518 | E512-H514 PolarHBondContact O-N 3.45Å; H514-K518 WeakPolarHBondContact O-CB 3.48Å; H514-K518 PolarHBondContact O-N 3.12Å |
| 515 | E | 93 | Very high | 93.1 | Very high | 90 Ų | 90 | 58.5 Ų | 58.5 | 42% | 0.421 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -71.9 | -38.2 | 174 | -70.3 | -171.5 | -141.4 | 0 | 0 | 110.5 | Y507 E512 K518 L519 | Y507-E515 HydrophobicContact CD1-CB 3.72Å; Y507-E515 HydrophobicContact CD2-CB 4.28Å; Y507-E515 HydrophobicContact CE1-CB 3.68Å; Y507-E515 HydrophobicContact CE1-CG 4.22Å; Y507-E515 WeakPolarHBondContact CE1-OE2 3.31Å; Y507-E515 HydrophobicContact CE2-CB 4.32Å; Y507-E515 HydrophobicContact CG-CB 3.99Å; Y507-E515 PolarHBondContact OH-OE2 3.39Å; E512-E515 PolarHBondContact O-N 2.78Å; E515-K518 PolarHBondContact O-N 3.41Å; E515-L519 WeakPolarHBondContact O-CB 3.18Å; E515-L519 PolarHBondContact O-N 3.47Å |
| 516 | A | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.6 | -50.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E508 E512 F513 K518 L519 Y520 M540 | E508-A516 HydrophobicContact CB-CB 4.32Å; E512-A516 PolarHBondContact O-N 2.79Å; F513-A516 PolarHBondContact O-N 3.34Å; A516-K518 VanDerWaalsContact C-N 3.34Å; A516-K518 PolarHBondContact O-N 3.3Å; A516-L519 PolarHBondContact O-N 3.43Å; A516-Y520 HydrophobicContact CB-CD2 4.49Å; A516-Y520 HydrophobicContact CB-CE2 4.14Å; A516-Y520 WeakPolarHBondContact O-CD2 3.48Å; A516-Y520 PolarHBondContact O-N 3.46Å; A516-M540 HydrophobicContact CB-CE 4.28Å; A516-M540 HydrophobicContact CB-SD 3.91Å |
| 517 | E | 93.1 | Very high | 92.5 | Very high | 39 Ų | 39 | 66.1 Ų | 66.1 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 178.4 | -77.1 | 178.7 | 144 | 0 | 0 | 112.5 | F513 K521 L537 M540 K544 | F513-E517 WeakPolarHBondContact O-CB 3.49Å; F513-E517 VanDerWaalsContact O-CG 3.28Å; F513-E517 WeakPolarHBondContact O-CG 3.48Å; F513-E517 PolarHBondContact O-N 3.2Å; E517-K521 VanDerWaalsContact O-CB 3.28Å; E517-K521 WeakPolarHBondContact O-CB 3.18Å; E517-K521 VanDerWaalsContact O-CG 3.25Å; E517-K521 WeakPolarHBondContact O-CG 3.43Å; E517-K521 PolarHBondContact O-N 3.18Å; E517-K521 VanDerWaalsContact O-N 3.1Å; E517-L537 HydrophobicContact CB-CD2 4.39Å; E517-L537 HydrophobicContact CG-CD2 4.1Å; E517-M540 HydrophobicContact CB-CE 4.46Å; E517-M540 HydrophobicContact CG-CE 3.46Å; E517-M540 VanDerWaalsContact CG-CE 3.46Å; E517-M540 HydrophobicContact CG-SD 4.3Å; E517-K544 IonicContact OE1-NZ 3.07Å; E517-K544 PolarHBondContact OE1-NZ 3.5Å; E517-K544 IonicContact OE2-NZ 3.54Å; E517-K544 PolarHBondContact OE2-NZ 3.33Å |
| 518 | K | 95.2 | Very high | 92.4 | Very high | 137 Ų | 137 | 68 Ų | 68 | 60% | 0.596 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.2 | -45.3 | 173.9 | -178.1 | -177.1 | 176.3 | -174 | 0 | 111.3 | H514 E515 A516 K521 N522 | H514-K518 WeakPolarHBondContact O-CB 3.48Å; H514-K518 PolarHBondContact O-N 3.12Å; E515-K518 PolarHBondContact O-N 3.41Å; A516-K518 VanDerWaalsContact C-N 3.34Å; A516-K518 PolarHBondContact O-N 3.3Å; K518-K521 PolarHBondContact O-N 3.09Å; K518-N522 PolarHBondContact O-N 3.15Å; K518-N522 PolarHBondContact O-OD1 3.18Å |
| 519 | L | 95.3 | Very high | 92.3 | Very high | 32 Ų | 32 | 72.5 Ų | 72.5 | 17% | 0.168 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -73.3 | -40.3 | -173.8 | -159.1 | 61.6 | 0 | 0 | 0 | 112.1 | S500 L503 A504 Y507 E515 A516 K521 N522 I523 | S500-L519 VanDerWaalsContact O-CD2 3.3Å; S500-L519 WeakPolarHBondContact O-CD2 3.44Å; L503-L519 HydrophobicContact CB-CD2 3.95Å; L503-L519 HydrophobicContact CD2-CD2 3.94Å; L503-L519 HydrophobicContact CG-CD2 3.8Å; A504-L519 HydrophobicContact CB-CB 4.05Å; A504-L519 HydrophobicContact CB-CD2 4.06Å; A504-L519 HydrophobicContact CB-CG 4.28Å; Y507-L519 HydrophobicContact CD2-CD2 4.29Å; Y507-L519 HydrophobicContact CE2-CD2 4.32Å; E515-L519 WeakPolarHBondContact O-CB 3.18Å; E515-L519 PolarHBondContact O-N 3.47Å; A516-L519 PolarHBondContact O-N 3.43Å; L519-K521 PolarHBondContact O-N 3.36Å; L519-N522 PolarHBondContact O-N 2.93Å; L519-I523 WeakPolarHBondContact O-CG1 3.41Å; L519-I523 PolarHBondContact O-N 3.41Å; L519-I523 VanDerWaalsContact O-N 3.14Å |
| 520 | Y | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 169.3 | -66.1 | -49.4 | 0 | 0 | 0 | 112.4 | Y501 A504 R505 E508 A516 N522 I523 L524 C533 R536 L537 M540 | Y501-Y520 HydrophobicContact CD2-CD1 4.26Å; Y501-Y520 AromaticContact CD2-CE1 3.84Å; Y501-Y520 HydrophobicContact CD2-CE1 3.84Å; Y501-Y520 HydrophobicContact CE2-CE1 4.05Å; A504-Y520 HydrophobicContact CB-CD1 3.58Å; A504-Y520 HydrophobicContact CB-CD2 4.29Å; A504-Y520 HydrophobicContact CB-CE1 3.25Å; A504-Y520 HydrophobicContact CB-CE2 4.01Å; A504-Y520 HydrophobicContact CB-CG 4.09Å; A504-Y520 VanDerWaalsContact CB-CZ 3.47Å; R505-Y520 VanDerWaalsContact CZ-OH 3.29Å; R505-Y520 PolarHBondContact N-OH 3.01Å; R505-Y520 PolarHBondContact NE-OH 3.03Å; R505-Y520 VanDerWaalsContact NH2-CZ 3.35Å; R505-Y520 PolarHBondContact NH2-OH 2.98Å; E508-Y520 PolarHBondContact OE2-OH 3.04Å; A516-Y520 HydrophobicContact CB-CD2 4.49Å; A516-Y520 HydrophobicContact CB-CE2 4.14Å; A516-Y520 WeakPolarHBondContact O-CD2 3.48Å; A516-Y520 PolarHBondContact O-N 3.46Å; Y520-N522 VanDerWaalsContact C-N 3.29Å; Y520-N522 PolarHBondContact O-N 3.21Å; Y520-I523 PolarHBondContact O-N 3.21Å; Y520-L524 WeakPolarHBondContact O-CG 3.48Å; Y520-L524 PolarHBondContact O-N 3.37Å; Y520-C533 HydrophobicContact CD1-CB 4.32Å; Y520-R536 HydrophobicContact CE2-CB 4.38Å; Y520-L537 HydrophobicContact CD2-CD2 4.23Å; Y520-M540 HydrophobicContact CD2-CE 3.52Å; Y520-M540 HydrophobicContact CE2-CE 3.56Å; Y520-M540 HydrophobicContact CE2-SD 4.29Å |
| 521 | K | 94.5 | Very high | 92.5 | Very high | 94 Ų | 94 | 70.6 Ų | 70.6 | 41% | 0.409 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.2 | -22.3 | 177.6 | -74.7 | -179.8 | 178.1 | -175.5 | 0 | 113.7 | E517 K518 L519 R525 L537 | E517-K521 VanDerWaalsContact O-CB 3.28Å; E517-K521 WeakPolarHBondContact O-CB 3.18Å; E517-K521 VanDerWaalsContact O-CG 3.25Å; E517-K521 WeakPolarHBondContact O-CG 3.43Å; E517-K521 PolarHBondContact O-N 3.18Å; E517-K521 VanDerWaalsContact O-N 3.1Å; K518-K521 PolarHBondContact O-N 3.09Å; L519-K521 PolarHBondContact O-N 3.36Å; K521-R525 WeakPolarHBondContact O-CD 3.37Å; K521-R525 VanDerWaalsContact O-CG 3.28Å; K521-R525 WeakPolarHBondContact O-CG 3.25Å; K521-R525 PolarHBondContact O-N 3.19Å; K521-L537 HydrophobicContact CG-CD1 4.09Å; K521-L537 HydrophobicContact CG-CD2 4.35Å |
| 522 | N | 94.1 | Very high | 92.8 | Very high | 47 Ų | 47 | 69.8 Ų | 69.8 | 25% | 0.251 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.6 | -51.2 | 168.2 | -77 | 1.4 | 0 | 0 | 0 | 110.6 | K518 L519 Y520 L524 R525 E526 | K518-N522 PolarHBondContact O-N 3.15Å; K518-N522 PolarHBondContact O-OD1 3.18Å; L519-N522 PolarHBondContact O-N 2.93Å; Y520-N522 VanDerWaalsContact C-N 3.29Å; Y520-N522 PolarHBondContact O-N 3.21Å; N522-L524 PolarHBondContact O-N 2.73Å; N522-L524 VanDerWaalsContact O-N 3.17Å; N522-R525 WeakPolarHBondContact O-CB 3.44Å; N522-R525 PolarHBondContact O-N 3.01Å; N522-R525 PolarHBondContact OD1-NH1 2.83Å; N522-E526 PolarHBondContact O-N 3.31Å |
| 523 | I | 93.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54.2 | -39.9 | 176.7 | -63.6 | 162.8 | 0 | 0 | 0 | 111.3 | V497 L519 Y520 R525 E526 H527 Y530 | V497-I523 HydrophobicContact CG1-CG2 3.97Å; L519-I523 WeakPolarHBondContact O-CG1 3.41Å; L519-I523 PolarHBondContact O-N 3.41Å; L519-I523 VanDerWaalsContact O-N 3.14Å; Y520-I523 PolarHBondContact O-N 3.21Å; I523-R525 VanDerWaalsContact C-N 3.33Å; I523-R525 PolarHBondContact O-N 3.14Å; I523-E526 PolarHBondContact O-N 3.49Å; I523-H527 CarbonylContact O-C 3.58Å; I523-H527 WeakPolarHBondContact O-CA 3.45Å; I523-H527 WeakPolarHBondContact O-CB 3.3Å; I523-H527 PolarHBondContact O-N 3.18Å; I523-Y530 HydrophobicContact CG2-CD1 4.43Å; I523-Y530 HydrophobicContact CG2-CG 4.33Å |
| 524 | L | 93 | Very high | 93 | Very high | 20 Ų | 20 | 64.1 Ų | 64.1 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -74 | -15.1 | 178.1 | -69.1 | -176.8 | 0 | 0 | 0 | 115.4 | Y520 N522 P528 C533 Y534 L537 | Y520-L524 WeakPolarHBondContact O-CG 3.48Å; Y520-L524 PolarHBondContact O-N 3.37Å; N522-L524 PolarHBondContact O-N 2.73Å; N522-L524 VanDerWaalsContact O-N 3.17Å; L524-P528 WeakPolarHBondContact O-CA 3.17Å; L524-C533 HydrophobicContact CD1-CB 3.98Å; L524-C533 HydrophobicContact CD2-CB 3.64Å; L524-C533 HydrophobicContact CG-CB 3.69Å; L524-Y534 HydrophobicContact CD1-CD1 4.09Å; L524-Y534 HydrophobicContact CD1-CD2 3.99Å; L524-Y534 HydrophobicContact CD1-CE1 3.97Å; L524-Y534 HydrophobicContact CD1-CE2 3.88Å; L524-Y534 HydrophobicContact CD1-CG 4.08Å; L524-Y534 HydrophobicContact CD2-CD2 3.63Å; L524-Y534 HydrophobicContact CD2-CE2 3.22Å; L524-Y534 HydrophobicContact CG-CD2 4.48Å; L524-Y534 HydrophobicContact CG-CE2 4.15Å; L524-L537 HydrophobicContact CD1-CD1 3.68Å |
| 525 | R | 93 | Very high | 93.1 | Very high | 196 Ų | 196 | 57.3 Ų | 57.3 | 74% | 0.74 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -79.2 | -37.1 | 170.8 | -73.1 | 159.4 | 171.2 | 169.9 | -9.9 | 111.7 | K521 N522 I523 | K521-R525 WeakPolarHBondContact O-CD 3.37Å; K521-R525 VanDerWaalsContact O-CG 3.28Å; K521-R525 WeakPolarHBondContact O-CG 3.25Å; K521-R525 PolarHBondContact O-N 3.19Å; N522-R525 WeakPolarHBondContact O-CB 3.44Å; N522-R525 PolarHBondContact O-N 3.01Å; N522-R525 PolarHBondContact OD1-NH1 2.83Å; I523-R525 VanDerWaalsContact C-N 3.33Å; I523-R525 PolarHBondContact O-N 3.14Å |
| 526 | E | 88.8 | Confident | 93.2 | Very high | 114 Ų | 114 | 57.4 Ų | 57.4 | 53% | 0.533 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -82.5 | -39.3 | 179.7 | -67.3 | 145.6 | -159.3 | 0 | 0 | 110.9 | N522 I523 | N522-E526 PolarHBondContact O-N 3.31Å; I523-E526 PolarHBondContact O-N 3.49Å |
| 527 | H | 89.9 | Confident | 93.1 | Very high | 68 Ų | 68 | 57.6 Ų | 57.6 | 32% | 0.315 | 27% | 0.265 | S | S | . | . | trans | -134.3 | 74.3 | -174 | -59.8 | -71.1 | 0 | 0 | 0 | 111.5 | V497 I523 N529 Y530 | V497-H527 VanDerWaalsContact CG2-CD2 3.41Å; V497-H527 WeakPolarHBondContact CG2-CD2 3.44Å; V497-H527 WeakPolarHBondContact CG2-NE2 3.43Å; I523-H527 CarbonylContact O-C 3.58Å; I523-H527 WeakPolarHBondContact O-CA 3.45Å; I523-H527 WeakPolarHBondContact O-CB 3.3Å; I523-H527 PolarHBondContact O-N 3.18Å; H527-N529 PolarHBondContact O-N 3.46Å; H527-Y530 WeakPolarHBondContact O-CB 3.41Å; H527-Y530 PolarHBondContact O-N 2.9Å | ||
| 528 | P | 92.3 | Very high | 93.1 | Very high | 64 Ų | 64 | 55.7 Ų | 55.7 | 42% | 0.416 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -11.3 | -178.3 | 26.7 | -36.3 | 0 | 0 | 0 | 114.3 | L524 Y530 Y534 I560 | L524-P528 WeakPolarHBondContact O-CA 3.17Å; P528-Y530 VanDerWaalsContact C-N 3.33Å; P528-Y534 VanDerWaalsContact O-CE2 3.29Å; P528-Y534 WeakPolarHBondContact O-CE2 3.38Å; P528-Y534 PolarHBondContact O-OH 3.27Å; P528-I560 VanDerWaalsContact O-CD1 3.28Å; P528-I560 WeakPolarHBondContact O-CD1 3.43Å |
| 529 | N | 91.4 | Very high | 92.8 | Very high | 127 Ų | 127 | 49.6 Ų | 49.6 | 68% | 0.679 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -2.3 | 176 | -62.6 | -11.3 | 0 | 0 | 0 | 113.2 | H527 V531 | H527-N529 PolarHBondContact O-N 3.46Å; N529-V531 VanDerWaalsContact C-N 3.35Å; N529-V531 PolarHBondContact O-N 3.1Å |
| 530 | Y | 91.4 | Very high | 92.6 | Very high | 66 Ų | 66 | 48.4 Ų | 48.4 | 26% | 0.259 | 23% | 0.225 | S | C | . | . | trans | -80.1 | 77.5 | -173.6 | -157.3 | -84.3 | 0 | 0 | 0 | 112.1 | V497 Y501 I523 H527 P528 D532 C533 | V497-Y530 HydrophobicContact CG1-CD2 4.45Å; V497-Y530 HydrophobicContact CG1-CE2 4.28Å; Y501-Y530 AromaticContact CD2-CE1 3.68Å; Y501-Y530 HydrophobicContact CD2-CE1 3.68Å; Y501-Y530 AromaticContact CE2-CE1 3.75Å; Y501-Y530 HydrophobicContact CE2-CE1 3.75Å; Y501-Y530 HydrophobicContact CG-CE1 4.09Å; I523-Y530 HydrophobicContact CG2-CD1 4.43Å; I523-Y530 HydrophobicContact CG2-CG 4.33Å; H527-Y530 WeakPolarHBondContact O-CB 3.41Å; H527-Y530 PolarHBondContact O-N 2.9Å; P528-Y530 VanDerWaalsContact C-N 3.33Å; Y530-D532 HydrophobicContact CD1-CB 4.05Å; Y530-D532 HydrophobicContact CE1-CB 3.68Å; Y530-D532 PolarHBondContact O-N 3.37Å; Y530-C533 HydrophobicContact CD1-CB 4.11Å; Y530-C533 VanDerWaalsContact CD1-SG 3.56Å; Y530-C533 PolarHBondContact O-N 2.93Å | ||
| 531 | V | 92.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 5% | 0.048 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -44 | -41.1 | -178 | 175.9 | 0 | 0 | 0 | 0 | 113.4 | N529 C533 Y534 L535 A557 I560 N561 | N529-V531 VanDerWaalsContact C-N 3.35Å; N529-V531 PolarHBondContact O-N 3.1Å; V531-C533 PolarHBondContact O-N 2.92Å; V531-C533 VanDerWaalsContact O-N 3.15Å; V531-Y534 WeakPolarHBondContact O-CB 3.33Å; V531-Y534 PolarHBondContact O-N 3.08Å; V531-L535 HydrophobicContact CG1-CD1 4.03Å; V531-L535 HydrophobicContact CG1-CG 4.06Å; V531-L535 PolarHBondContact O-N 3.28Å; V531-L535 VanDerWaalsContact O-N 3.08Å; V531-A557 HydrophobicContact CG1-CB 4.13Å; V531-I560 HydrophobicContact CG2-CB 4.09Å; V531-I560 HydrophobicContact CG2-CD1 4.44Å; V531-I560 HydrophobicContact CG2-CG2 3.79Å; V531-N561 HydrophobicContact CG2-CB 4.18Å |
| 532 | D | 91.9 | Very high | 92 | Very high | 62 Ų | 62 | 47.2 Ų | 47.2 | 33% | 0.332 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.5 | -18.6 | -174.5 | -127.1 | 18.7 | 0 | 0 | 0 | 113.8 | Y501 Y530 R536 | Y501-D532 HydrophobicContact CE2-CB 4.05Å; Y501-D532 WeakPolarHBondContact OH-CB 3.45Å; Y501-D532 PolarHBondContact OH-OD2 3.36Å; Y530-D532 HydrophobicContact CD1-CB 4.05Å; Y530-D532 HydrophobicContact CE1-CB 3.68Å; Y530-D532 PolarHBondContact O-N 3.37Å; D532-R536 WeakPolarHBondContact O-CB 3.44Å; D532-R536 VanDerWaalsContact O-CG 3.28Å; D532-R536 WeakPolarHBondContact O-CG 3.32Å |
| 533 | C | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -78.8 | -43.8 | 169.1 | -78.2 | 0 | 0 | 0 | 0 | 111.9 | Y520 L524 Y530 V531 L535 R536 L537 | Y520-C533 HydrophobicContact CD1-CB 4.32Å; L524-C533 HydrophobicContact CD1-CB 3.98Å; L524-C533 HydrophobicContact CD2-CB 3.64Å; L524-C533 HydrophobicContact CG-CB 3.69Å; Y530-C533 HydrophobicContact CD1-CB 4.11Å; Y530-C533 VanDerWaalsContact CD1-SG 3.56Å; Y530-C533 PolarHBondContact O-N 2.93Å; V531-C533 PolarHBondContact O-N 2.92Å; V531-C533 VanDerWaalsContact O-N 3.15Å; C533-L535 PolarHBondContact O-N 2.99Å; C533-R536 PolarHBondContact O-N 3.34Å; C533-R536 VanDerWaalsContact O-N 3.08Å; C533-L537 PolarHBondContact O-N 2.96Å |
| 534 | Y | 94.1 | Very high | 91 | Very high | 32 Ų | 32 | 55.7 Ų | 55.7 | 13% | 0.125 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.4 | -45.6 | 176.4 | -69.4 | -90.7 | 0 | 0 | 0 | 111.9 | L524 P528 V531 R536 G538 W553 E556 I560 | L524-Y534 HydrophobicContact CD1-CD1 4.09Å; L524-Y534 HydrophobicContact CD1-CD2 3.99Å; L524-Y534 HydrophobicContact CD1-CE1 3.97Å; L524-Y534 HydrophobicContact CD1-CE2 3.88Å; L524-Y534 HydrophobicContact CD1-CG 4.08Å; L524-Y534 HydrophobicContact CD2-CD2 3.63Å; L524-Y534 HydrophobicContact CD2-CE2 3.22Å; L524-Y534 HydrophobicContact CG-CD2 4.48Å; L524-Y534 HydrophobicContact CG-CE2 4.15Å; P528-Y534 VanDerWaalsContact O-CE2 3.29Å; P528-Y534 WeakPolarHBondContact O-CE2 3.38Å; P528-Y534 PolarHBondContact O-OH 3.27Å; V531-Y534 WeakPolarHBondContact O-CB 3.33Å; V531-Y534 PolarHBondContact O-N 3.08Å; Y534-R536 PolarHBondContact O-N 3.31Å; Y534-G538 PolarHBondContact O-N 3.29Å; Y534-W553 AromaticContact CD1-CE3 3.95Å; Y534-W553 HydrophobicContact CD1-CE3 3.95Å; Y534-W553 HydrophobicContact CD1-CZ3 4.29Å; Y534-W553 HydrophobicContact CE1-CE3 4.47Å; Y534-W553 HydrophobicContact CE1-CZ3 4.4Å; Y534-E556 HydrophobicContact CD1-CB 3.87Å; Y534-E556 HydrophobicContact CE1-CB 4.06Å; Y534-E556 WeakPolarHBondContact CE1-OE2 3.34Å; Y534-I560 HydrophobicContact CD2-CD1 3.85Å; Y534-I560 HydrophobicContact CE2-CD1 3.4Å; Y534-I560 VanDerWaalsContact CE2-CD1 3.4Å |
| 535 | L | 94.1 | Very high | 90.5 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.9 | -18.2 | 177.7 | -63.2 | -173.8 | 0 | 0 | 0 | 113.3 | V531 C533 A539 F554 A557 D566 A567 L570 | V531-L535 HydrophobicContact CG1-CD1 4.03Å; V531-L535 HydrophobicContact CG1-CG 4.06Å; V531-L535 PolarHBondContact O-N 3.28Å; V531-L535 VanDerWaalsContact O-N 3.08Å; C533-L535 PolarHBondContact O-N 2.99Å; L535-A539 WeakPolarHBondContact O-CB 3.44Å; L535-A539 PolarHBondContact O-N 3.43Å; L535-A539 VanDerWaalsContact O-N 3.11Å; L535-F554 HydrophobicContact CD2-CD1 3.97Å; L535-F554 WeakPolarHBondContact O-CE1 3.45Å; L535-A557 HydrophobicContact CD2-CB 3.54Å; L535-A557 HydrophobicContact CG-CB 4.24Å; L535-D566 HydrophobicContact CD1-CB 4.07Å; L535-A567 HydrophobicContact CD2-CB 3.71Å; L535-L570 HydrophobicContact CB-CD1 3.99Å; L535-L570 HydrophobicContact CD1-CD1 4.28Å; L535-L570 HydrophobicContact CD2-CD1 4.08Å; L535-L570 HydrophobicContact CG-CD1 4.34Å |
| 536 | R | 94.4 | Very high | 90.3 | Very high | 93 Ų | 93 | 50 Ų | 50 | 35% | 0.351 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -110.1 | -29.3 | -171.3 | -71.1 | -84 | -165.9 | 154.4 | 2.8 | 113 | R505 E508 Y520 D532 C533 Y534 G538 A539 M540 | R505-R536 VanDerWaalsContact CZ-CG 3.46Å; R505-R536 VanDerWaalsContact NH2-CB 3.32Å; E508-R536 IonicContact OE1-CZ 3.99Å; E508-R536 IonicContact OE1-NH1 2.68Å; E508-R536 PolarHBondContact OE1-NH1 2.95Å; Y520-R536 HydrophobicContact CE2-CB 4.38Å; D532-R536 WeakPolarHBondContact O-CB 3.44Å; D532-R536 VanDerWaalsContact O-CG 3.28Å; D532-R536 WeakPolarHBondContact O-CG 3.32Å; C533-R536 PolarHBondContact O-N 3.34Å; C533-R536 VanDerWaalsContact O-N 3.08Å; Y534-R536 PolarHBondContact O-N 3.31Å; R536-G538 VanDerWaalsContact C-N 3.3Å; R536-A539 PolarHBondContact O-N 3.49Å; R536-M540 WeakPolarHBondContact O-CG 3.26Å; R536-M540 PolarHBondContact O-N 3Å |
| 537 | L | 93.2 | Very high | 90.2 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.2 | -46.5 | 153 | -68.6 | 172.8 | 0 | 0 | 0 | 110.6 | E517 Y520 K521 L524 C533 A539 M540 A541 W553 | E517-L537 HydrophobicContact CB-CD2 4.39Å; E517-L537 HydrophobicContact CG-CD2 4.1Å; Y520-L537 HydrophobicContact CD2-CD2 4.23Å; K521-L537 HydrophobicContact CG-CD1 4.09Å; K521-L537 HydrophobicContact CG-CD2 4.35Å; L524-L537 HydrophobicContact CD1-CD1 3.68Å; C533-L537 PolarHBondContact O-N 2.96Å; L537-A539 PolarHBondContact O-N 3.04Å; L537-M540 HydrophobicContact CD2-CE 4Å; L537-M540 PolarHBondContact O-N 3.33Å; L537-A541 WeakPolarHBondContact O-CB 3.36Å; L537-A541 PolarHBondContact O-N 3.29Å; L537-W553 HydrophobicContact CB-CD2 4.02Å; L537-W553 HydrophobicContact CB-CG 4.17Å; L537-W553 HydrophobicContact CD1-CE3 4.28Å; L537-W553 HydrophobicContact CD1-CH2 4.14Å; L537-W553 HydrophobicContact CD1-CZ2 4.35Å; L537-W553 HydrophobicContact CD1-CZ3 4.1Å |
| 538 | G | 92.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y534 R536 A541 R542 A550 | Y534-G538 PolarHBondContact O-N 3.29Å; R536-G538 VanDerWaalsContact C-N 3.3Å; G538-A541 PolarHBondContact O-N 3.43Å; G538-R542 WeakPolarHBondContact O-CB 3.27Å; G538-R542 PolarHBondContact O-N 3.07Å; G538-A550 WeakPolarHBondContact O-CB 3.43Å |
| 539 | A | 90.6 | Very high | 90 | Very high | 9 Ų | 9 | 55.1 Ų | 55.1 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.5 | -44 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L535 R536 L537 R542 D543 | L535-A539 WeakPolarHBondContact O-CB 3.44Å; L535-A539 PolarHBondContact O-N 3.43Å; L535-A539 VanDerWaalsContact O-N 3.11Å; R536-A539 PolarHBondContact O-N 3.49Å; L537-A539 PolarHBondContact O-N 3.04Å; A539-R542 WeakPolarHBondContact O-CB 3.43Å; A539-R542 PolarHBondContact O-N 3.43Å; A539-D543 VanDerWaalsContact O-CG 3.31Å; A539-D543 PolarHBondContact O-N 3.15Å |
| 540 | M | 89.9 | Confident | 90 | Very high | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.4 | -39 | 176 | -71 | -171.6 | -61.8 | 0 | 0 | 112.3 | E508 F513 A516 E517 Y520 R536 L537 D543 K544 | E508-M540 HydrophobicContact CB-SD 4.36Å; E508-M540 HydrophobicContact CG-CG 4.18Å; E508-M540 HydrophobicContact CG-SD 4.17Å; F513-M540 HydrophobicContact CD1-CG 4.35Å; F513-M540 HydrophobicContact CD1-SD 4Å; A516-M540 HydrophobicContact CB-CE 4.28Å; A516-M540 HydrophobicContact CB-SD 3.91Å; E517-M540 HydrophobicContact CB-CE 4.46Å; E517-M540 HydrophobicContact CG-CE 3.46Å; E517-M540 VanDerWaalsContact CG-CE 3.46Å; E517-M540 HydrophobicContact CG-SD 4.3Å; Y520-M540 HydrophobicContact CD2-CE 3.52Å; Y520-M540 HydrophobicContact CE2-CE 3.56Å; Y520-M540 HydrophobicContact CE2-SD 4.29Å; R536-M540 WeakPolarHBondContact O-CG 3.26Å; R536-M540 PolarHBondContact O-N 3Å; L537-M540 HydrophobicContact CD2-CE 4Å; L537-M540 PolarHBondContact O-N 3.33Å; M540-D543 PolarHBondContact O-N 3.23Å; M540-K544 WeakPolarHBondContact O-CG 3.43Å; M540-K544 PolarHBondContact O-N 3.43Å |
| 541 | A | 89.9 | Confident | 89.8 | Confident | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62 | -42.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L537 G538 D543 K544 G545 N546 E549 A550 | L537-A541 WeakPolarHBondContact O-CB 3.36Å; L537-A541 PolarHBondContact O-N 3.29Å; G538-A541 PolarHBondContact O-N 3.43Å; A541-D543 PolarHBondContact O-N 3.2Å; A541-K544 PolarHBondContact O-N 2.86Å; A541-G545 PolarHBondContact O-N 3.13Å; A541-N546 WeakPolarHBondContact O-CA 3.09Å; A541-N546 PolarHBondContact O-N 3.41Å; A541-E549 HydrophobicContact CB-CB 3.99Å; A541-A550 HydrophobicContact CB-CB 4.07Å |
| 542 | R | 87.9 | Confident | 89.8 | Confident | 68 Ų | 68 | 49.8 Ų | 49.8 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 174.4 | -177.5 | -159.8 | 69.1 | -160 | -5.9 | 111.3 | G538 A539 G545 F547 A550 L574 | G538-R542 WeakPolarHBondContact O-CB 3.27Å; G538-R542 PolarHBondContact O-N 3.07Å; A539-R542 WeakPolarHBondContact O-CB 3.43Å; A539-R542 PolarHBondContact O-N 3.43Å; R542-G545 VanDerWaalsContact O-CA 3.3Å; R542-G545 WeakPolarHBondContact O-CA 3.32Å; R542-G545 PolarHBondContact O-N 2.98Å; R542-F547 HydrophobicContact CG-CD1 4.45Å; R542-F547 HydrophobicContact CG-CE1 4.45Å; R542-A550 HydrophobicContact CB-CB 3.84Å; R542-L574 HydrophobicContact CG-CD1 4.33Å |
| 543 | D | 83 | Confident | 89.9 | Confident | 114 Ų | 114 | 49.6 Ų | 49.6 | 61% | 0.61 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -78.4 | -21.4 | -174.6 | -67 | -7.1 | 0 | 0 | 0 | 112.7 | A539 M540 A541 G545 | A539-D543 VanDerWaalsContact O-CG 3.31Å; A539-D543 PolarHBondContact O-N 3.15Å; M540-D543 PolarHBondContact O-N 3.23Å; A541-D543 PolarHBondContact O-N 3.2Å; D543-G545 PolarHBondContact O-N 3.33Å |
| 544 | K | 83.8 | Confident | 89.9 | Confident | 113 Ų | 113 | 49.6 Ų | 49.6 | 49% | 0.491 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -10.7 | 160.5 | -71.8 | 171 | 176.5 | -179.5 | 0 | 113.3 | E517 M540 A541 | E517-K544 IonicContact OE1-NZ 3.07Å; E517-K544 PolarHBondContact OE1-NZ 3.5Å; E517-K544 IonicContact OE2-NZ 3.54Å; E517-K544 PolarHBondContact OE2-NZ 3.33Å; M540-K544 WeakPolarHBondContact O-CG 3.43Å; M540-K544 PolarHBondContact O-N 3.43Å; A541-K544 PolarHBondContact O-N 2.86Å |
| 545 | G | 82.9 | Confident | 89.7 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 42% | 0.423 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 3.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115 | A541 R542 D543 F547 | A541-G545 PolarHBondContact O-N 3.13Å; R542-G545 VanDerWaalsContact O-CA 3.3Å; R542-G545 WeakPolarHBondContact O-CA 3.32Å; R542-G545 PolarHBondContact O-N 2.98Å; D543-G545 PolarHBondContact O-N 3.33Å; G545-F547 WeakPolarHBondContact O-CD2 3.42Å; G545-F547 PolarHBondContact O-N 3.47Å; G545-F547 VanDerWaalsContact O-N 3.1Å |
| 546 | N | 89.2 | Confident | 89.6 | Confident | 56 Ų | 56 | 56.6 Ų | 56.6 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | trans | -85.7 | 81 | 178.9 | -162.9 | -14.2 | 0 | 0 | 0 | 111.5 | A541 Y548 E549 A550 | A541-N546 WeakPolarHBondContact O-CA 3.09Å; A541-N546 PolarHBondContact O-N 3.41Å; N546-Y548 PolarHBondContact O-N 3.22Å; N546-Y548 VanDerWaalsContact O-N 3.11Å; N546-Y548 PolarHBondContact OD1-N 3.23Å; N546-E549 HydrophobicContact CB-CB 4.44Å; N546-E549 WeakPolarHBondContact ND2-CG 3.38Å; N546-E549 PolarHBondContact ND2-OE1 2.83Å; N546-E549 PolarHBondContact ND2-OE2 2.92Å; N546-A550 VanDerWaalsContact O-CB 3.32Å; N546-A550 WeakPolarHBondContact O-CB 3.39Å; N546-A550 PolarHBondContact O-N 2.97Å; N546-A550 VanDerWaalsContact O-N 3.12Å | ||
| 547 | F | 86 | Confident | 89.5 | Confident | 78 Ų | 78 | 52.1 Ų | 52.1 | 34% | 0.342 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -2.1 | -178.9 | -53 | -62.6 | 0 | 0 | 0 | 115.4 | R542 G545 L574 A577 | R542-F547 HydrophobicContact CG-CD1 4.45Å; R542-F547 HydrophobicContact CG-CE1 4.45Å; G545-F547 WeakPolarHBondContact O-CD2 3.42Å; G545-F547 PolarHBondContact O-N 3.47Å; G545-F547 VanDerWaalsContact O-N 3.1Å; F547-L574 HydrophobicContact CB-CD1 4.09Å; F547-L574 HydrophobicContact CD1-CD1 3.67Å; F547-L574 HydrophobicContact CG-CD1 4.33Å; F547-A577 HydrophobicContact CE1-CB 4.49Å |
| 548 | Y | 87.1 | Confident | 89.4 | Confident | 175 Ų | 175 | 52.6 Ų | 52.6 | 69% | 0.686 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -62.2 | 174.3 | -67.7 | -81.4 | 0 | 0 | 0 | 109.9 | N546 A550 S551 D552 | N546-Y548 PolarHBondContact O-N 3.22Å; N546-Y548 VanDerWaalsContact O-N 3.11Å; N546-Y548 PolarHBondContact OD1-N 3.23Å; Y548-A550 PolarHBondContact O-N 3.05Å; Y548-A550 VanDerWaalsContact O-N 3.16Å; Y548-S551 WeakPolarHBondContact O-CA 3.11Å; Y548-S551 VanDerWaalsContact O-CB 3.26Å; Y548-S551 WeakPolarHBondContact O-CB 3.22Å; Y548-S551 PolarHBondContact O-N 3.44Å; Y548-D552 PolarHBondContact O-N 2.94Å; Y548-D552 VanDerWaalsContact O-N 3.09Å |
| 549 | E | 90.2 | Very high | 89.3 | Confident | 100 Ų | 100 | 59.6 Ų | 59.6 | 47% | 0.467 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -49.6 | -43.8 | 172.8 | -75.1 | 170.3 | -170.9 | 0 | 0 | 112.1 | A541 N546 S551 D552 W553 | A541-E549 HydrophobicContact CB-CB 3.99Å; N546-E549 HydrophobicContact CB-CB 4.44Å; N546-E549 WeakPolarHBondContact ND2-CG 3.38Å; N546-E549 PolarHBondContact ND2-OE1 2.83Å; N546-E549 PolarHBondContact ND2-OE2 2.92Å; E549-S551 VanDerWaalsContact C-N 3.3Å; E549-S551 PolarHBondContact O-N 3.04Å; E549-D552 PolarHBondContact O-N 2.82Å; E549-D552 VanDerWaalsContact O-N 3.11Å; E549-W553 PolarHBondContact O-N 3.34Å |
| 550 | A | 91.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.2 | -40.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | G538 A541 R542 N546 Y548 D552 F554 L574 | G538-A550 WeakPolarHBondContact O-CB 3.43Å; A541-A550 HydrophobicContact CB-CB 4.07Å; R542-A550 HydrophobicContact CB-CB 3.84Å; N546-A550 VanDerWaalsContact O-CB 3.32Å; N546-A550 WeakPolarHBondContact O-CB 3.39Å; N546-A550 PolarHBondContact O-N 2.97Å; N546-A550 VanDerWaalsContact O-N 3.12Å; Y548-A550 PolarHBondContact O-N 3.05Å; Y548-A550 VanDerWaalsContact O-N 3.16Å; A550-D552 VanDerWaalsContact C-N 3.26Å; A550-D552 PolarHBondContact O-N 3.32Å; A550-F554 HydrophobicContact CB-CE2 4.4Å; A550-F554 WeakPolarHBondContact O-CD2 3.47Å; A550-F554 WeakPolarHBondContact O-CE2 3.33Å; A550-F554 WeakPolarHBondContact O-CG 3.46Å; A550-F554 PolarHBondContact O-N 3.14Å; A550-L574 HydrophobicContact CB-CD1 4.48Å |
| 551 | S | 88.7 | Confident | 89.3 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 16% | 0.161 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.5 | -28.9 | 177.3 | -170.2 | 0 | 0 | 0 | 0 | 112.6 | Y548 E549 K555 | Y548-S551 WeakPolarHBondContact O-CA 3.11Å; Y548-S551 VanDerWaalsContact O-CB 3.26Å; Y548-S551 WeakPolarHBondContact O-CB 3.22Å; Y548-S551 PolarHBondContact O-N 3.44Å; E549-S551 VanDerWaalsContact C-N 3.3Å; E549-S551 PolarHBondContact O-N 3.04Å; S551-K555 VanDerWaalsContact O-CG 3.25Å; S551-K555 WeakPolarHBondContact O-CG 3.36Å; S551-K555 PolarHBondContact O-N 3.24Å |
| 552 | D | 92 | Very high | 89.1 | Confident | 66 Ų | 66 | 71.1 Ų | 71.1 | 35% | 0.353 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -85.6 | -43.7 | -174 | -62.3 | -37.6 | 0 | 0 | 0 | 110.6 | Y548 E549 A550 F554 K555 E556 | Y548-D552 PolarHBondContact O-N 2.94Å; Y548-D552 VanDerWaalsContact O-N 3.09Å; E549-D552 PolarHBondContact O-N 2.82Å; E549-D552 VanDerWaalsContact O-N 3.11Å; A550-D552 VanDerWaalsContact C-N 3.26Å; A550-D552 PolarHBondContact O-N 3.32Å; D552-F554 VanDerWaalsContact C-N 3.25Å; D552-F554 PolarHBondContact O-N 3.1Å; D552-K555 WeakPolarHBondContact O-CA 3.19Å; D552-K555 WeakPolarHBondContact O-CB 3.21Å; D552-K555 PolarHBondContact O-N 2.96Å; D552-K555 WeakPolarHBondContact OD1-CE 3.49Å; D552-K555 IonicContact OD1-NZ 3.71Å; D552-K555 PolarHBondContact OD1-NZ 3.23Å; D552-E556 PolarHBondContact O-N 2.97Å |
| 553 | W | 93.6 | Very high | 88.9 | Confident | 57 Ų | 57 | 72.1 Ų | 72.1 | 22% | 0.216 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -55 | -38.4 | 167.9 | -68.3 | 121.9 | 0 | 0 | 0 | 112.9 | Y534 L537 E549 E556 A557 | Y534-W553 AromaticContact CD1-CE3 3.95Å; Y534-W553 HydrophobicContact CD1-CE3 3.95Å; Y534-W553 HydrophobicContact CD1-CZ3 4.29Å; Y534-W553 HydrophobicContact CE1-CE3 4.47Å; Y534-W553 HydrophobicContact CE1-CZ3 4.4Å; L537-W553 HydrophobicContact CB-CD2 4.02Å; L537-W553 HydrophobicContact CB-CG 4.17Å; L537-W553 HydrophobicContact CD1-CE3 4.28Å; L537-W553 HydrophobicContact CD1-CH2 4.14Å; L537-W553 HydrophobicContact CD1-CZ2 4.35Å; L537-W553 HydrophobicContact CD1-CZ3 4.1Å; E549-W553 PolarHBondContact O-N 3.34Å; W553-E556 VanDerWaalsContact CZ3-OE2 3.3Å; W553-E556 WeakPolarHBondContact CZ3-OE2 3.49Å; W553-A557 PolarHBondContact O-N 2.84Å; W553-A557 VanDerWaalsContact O-N 3.14Å |
| 554 | F | 92.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -73 | -24.7 | 174.9 | -59.4 | -33 | 0 | 0 | 0 | 113.7 | L535 A550 D552 L558 L570 I571 L574 | L535-F554 HydrophobicContact CD2-CD1 3.97Å; L535-F554 WeakPolarHBondContact O-CE1 3.45Å; A550-F554 HydrophobicContact CB-CE2 4.4Å; A550-F554 WeakPolarHBondContact O-CD2 3.47Å; A550-F554 WeakPolarHBondContact O-CE2 3.33Å; A550-F554 WeakPolarHBondContact O-CG 3.46Å; A550-F554 PolarHBondContact O-N 3.14Å; D552-F554 VanDerWaalsContact C-N 3.25Å; D552-F554 PolarHBondContact O-N 3.1Å; F554-L558 WeakPolarHBondContact O-CG 3.03Å; F554-L558 PolarHBondContact O-N 3.08Å; F554-L570 HydrophobicContact CD1-CB 4.19Å; F554-L570 HydrophobicContact CD1-CD1 4.45Å; F554-L570 HydrophobicContact CD2-CB 4.25Å; F554-L570 HydrophobicContact CE1-CB 3.91Å; F554-L570 HydrophobicContact CE1-CD1 3.93Å; F554-L570 HydrophobicContact CE1-CG 4.36Å; F554-L570 HydrophobicContact CE2-CB 3.99Å; F554-L570 HydrophobicContact CG-CB 4.38Å; F554-L570 HydrophobicContact CZ-CB 3.82Å; F554-L570 HydrophobicContact CZ-CD1 4.42Å; F554-L570 HydrophobicContact CZ-CD2 4.29Å; F554-L570 HydrophobicContact CZ-CG 4.4Å; F554-I571 HydrophobicContact CB-CD1 3.82Å; F554-I571 HydrophobicContact CB-CG1 3.48Å; F554-I571 VanDerWaalsContact CB-CG1 3.48Å; F554-I571 HydrophobicContact CD2-CG1 4.01Å; F554-I571 HydrophobicContact CG-CG1 4.12Å; F554-L574 HydrophobicContact CD2-CD2 4.22Å; F554-L574 HydrophobicContact CE2-CD2 4.36Å |
| 555 | K | 90.7 | Very high | 89.4 | Confident | 100 Ų | 100 | 65.1 Ų | 65.1 | 44% | 0.435 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -73.6 | -43.7 | 171.3 | -71.8 | 162.7 | -163.4 | 164.3 | 0 | 110.5 | S551 D552 A557 L558 Q559 | S551-K555 VanDerWaalsContact O-CG 3.25Å; S551-K555 WeakPolarHBondContact O-CG 3.36Å; S551-K555 PolarHBondContact O-N 3.24Å; D552-K555 WeakPolarHBondContact O-CA 3.19Å; D552-K555 WeakPolarHBondContact O-CB 3.21Å; D552-K555 PolarHBondContact O-N 2.96Å; D552-K555 WeakPolarHBondContact OD1-CE 3.49Å; D552-K555 IonicContact OD1-NZ 3.71Å; D552-K555 PolarHBondContact OD1-NZ 3.23Å; K555-A557 VanDerWaalsContact C-N 3.34Å; K555-A557 PolarHBondContact O-N 2.94Å; K555-L558 CarbonylContact O-C 3.3Å; K555-L558 WeakPolarHBondContact O-CA 3.12Å; K555-L558 WeakPolarHBondContact O-CB 3.27Å; K555-L558 PolarHBondContact O-N 3.02Å; K555-Q559 PolarHBondContact O-N 2.9Å |
| 556 | E | 91.6 | Very high | 89.7 | Confident | 84 Ų | 84 | 67.4 Ų | 67.4 | 39% | 0.393 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58 | -45.8 | 177.3 | -70.8 | 173 | -160.8 | 0 | 0 | 111.4 | Y534 D552 W553 L558 Q559 I560 | Y534-E556 HydrophobicContact CD1-CB 3.87Å; Y534-E556 HydrophobicContact CE1-CB 4.06Å; Y534-E556 WeakPolarHBondContact CE1-OE2 3.34Å; D552-E556 PolarHBondContact O-N 2.97Å; W553-E556 VanDerWaalsContact CZ3-OE2 3.3Å; W553-E556 WeakPolarHBondContact CZ3-OE2 3.49Å; E556-L558 PolarHBondContact O-N 3.47Å; E556-Q559 PolarHBondContact O-N 3.27Å; E556-I560 PolarHBondContact O-N 2.89Å |
| 557 | A | 93.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -52.5 | -37.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V531 L535 W553 K555 N561 | V531-A557 HydrophobicContact CG1-CB 4.13Å; L535-A557 HydrophobicContact CD2-CB 3.54Å; L535-A557 HydrophobicContact CG-CB 4.24Å; W553-A557 PolarHBondContact O-N 2.84Å; W553-A557 VanDerWaalsContact O-N 3.14Å; K555-A557 VanDerWaalsContact C-N 3.34Å; K555-A557 PolarHBondContact O-N 2.94Å; A557-N561 PolarHBondContact O-N 3.24Å; A557-N561 VanDerWaalsContact O-N 3.13Å |
| 558 | L | 90.5 | Very high | 90 | Very high | 13 Ų | 13 | 62.4 Ų | 62.4 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -81.6 | -19 | 176.5 | -73.8 | 173.5 | 0 | 0 | 0 | 114 | F554 K555 E556 I560 N561 Q562 A567 W568 I571 | F554-L558 WeakPolarHBondContact O-CG 3.03Å; F554-L558 PolarHBondContact O-N 3.08Å; K555-L558 CarbonylContact O-C 3.3Å; K555-L558 WeakPolarHBondContact O-CA 3.12Å; K555-L558 WeakPolarHBondContact O-CB 3.27Å; K555-L558 PolarHBondContact O-N 3.02Å; E556-L558 PolarHBondContact O-N 3.47Å; L558-I560 VanDerWaalsContact C-N 3.3Å; L558-N561 CarbonylContact O-C 3.47Å; L558-Q562 WeakPolarHBondContact O-CA 3.39Å; L558-Q562 WeakPolarHBondContact O-CG 3.47Å; L558-Q562 PolarHBondContact O-N 3.2Å; L558-Q562 VanDerWaalsContact O-N 3.14Å; L558-A567 HydrophobicContact CD2-CB 3.63Å; L558-A567 HydrophobicContact CG-CB 3.81Å; L558-W568 HydrophobicContact CD1-CD2 3.87Å; L558-W568 HydrophobicContact CD1-CE3 3.85Å; L558-W568 HydrophobicContact CD1-CH2 3.71Å; L558-W568 HydrophobicContact CD1-CZ2 3.73Å; L558-W568 HydrophobicContact CD1-CZ3 3.76Å; L558-W568 HydrophobicContact CD2-CD2 4.14Å; L558-W568 HydrophobicContact CD2-CG 4.23Å; L558-W568 HydrophobicContact CD2-CZ2 4.11Å; L558-I571 HydrophobicContact CD1-CD1 3.48Å; L558-I571 VanDerWaalsContact CD1-CD1 3.48Å |
| 559 | Q | 90.8 | Very high | 90.2 | Very high | 147 Ų | 147 | 54.2 Ų | 54.2 | 69% | 0.687 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -70 | -34 | 170.9 | -60.3 | -60.7 | 0.4 | 0 | 0 | 110.8 | K555 E556 | K555-Q559 PolarHBondContact O-N 2.9Å; E556-Q559 PolarHBondContact O-N 3.27Å |
| 560 | I | 91.3 | Very high | 90.2 | Very high | 54 Ų | 54 | 51 Ų | 51 | 28% | 0.277 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.7 | -60.9 | 173.1 | -57.6 | 162.3 | 0 | 0 | 0 | 109.6 | P528 V531 Y534 E556 L558 | P528-I560 VanDerWaalsContact O-CD1 3.28Å; P528-I560 WeakPolarHBondContact O-CD1 3.43Å; V531-I560 HydrophobicContact CG2-CB 4.09Å; V531-I560 HydrophobicContact CG2-CD1 4.44Å; V531-I560 HydrophobicContact CG2-CG2 3.79Å; Y534-I560 HydrophobicContact CD2-CD1 3.85Å; Y534-I560 HydrophobicContact CE2-CD1 3.4Å; Y534-I560 VanDerWaalsContact CE2-CD1 3.4Å; E556-I560 PolarHBondContact O-N 2.89Å; L558-I560 VanDerWaalsContact C-N 3.3Å |
| 561 | N | 87.8 | Confident | 90 | Very high | 81 Ų | 81 | 51.6 Ų | 51.6 | 43% | 0.433 | 26% | 0.255 | S | S | . | . | trans | -122.4 | 87.7 | -177.5 | -77.5 | -20.3 | 0 | 0 | 0 | 111 | V531 A557 L558 D563 H564 | V531-N561 HydrophobicContact CG2-CB 4.18Å; A557-N561 PolarHBondContact O-N 3.24Å; A557-N561 VanDerWaalsContact O-N 3.13Å; L558-N561 CarbonylContact O-C 3.47Å; N561-D563 PolarHBondContact O-N 3.35Å; N561-H564 HydrophobicContact CB-CB 4.04Å; N561-H564 WeakPolarHBondContact O-CB 3.38Å; N561-H564 PolarHBondContact O-N 3.23Å; N561-H564 VanDerWaalsContact O-N 3.07Å | ||
| 562 | Q | 86.2 | Confident | 90.1 | Very high | 123 Ų | 123 | 50.5 Ų | 50.5 | 58% | 0.575 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -20.7 | -174.5 | -67.6 | -171.1 | 28.1 | 0 | 0 | 115.6 | L558 W568 R590 | L558-Q562 WeakPolarHBondContact O-CA 3.39Å; L558-Q562 WeakPolarHBondContact O-CG 3.47Å; L558-Q562 PolarHBondContact O-N 3.2Å; L558-Q562 VanDerWaalsContact O-N 3.14Å; Q562-W568 PolarHBondContact O-NE1 3.23Å; Q562-R590 PolarHBondContact O-NH2 3.4Å |
| 563 | D | 84.3 | Confident | 89.9 | Confident | 89 Ų | 89 | 49.1 Ų | 49.1 | 48% | 0.476 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | 15.6 | -176.9 | -74.6 | -23.8 | 0 | 0 | 0 | 113.4 | N561 P565 R590 Q594 | N561-D563 PolarHBondContact O-N 3.35Å; D563-P565 VanDerWaalsContact O-CD 3.29Å; D563-P565 WeakPolarHBondContact O-CD 3.44Å; D563-R590 IonicContact OD1-CZ 2.88Å; D563-R590 IonicContact OD1-NE 3.65Å; D563-R590 IonicContact OD1-NH2 2.64Å; D563-R590 PolarHBondContact OD1-NH2 3.18Å; D563-Q594 VanDerWaalsContact CB-NE2 3.29Å; D563-Q594 PolarHBondContact OD1-NE2 3.31Å; D563-Q594 PolarHBondContact OD2-NE2 3.05Å |
| 564 | H | 88.1 | Confident | 89.6 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 19% | 0.194 | 23% | 0.231 | C | C | . | . | trans | -64.1 | 117.1 | 178.1 | -158.6 | -75.7 | 0 | 0 | 0 | 112.2 | N561 D566 A567 W568 | N561-H564 HydrophobicContact CB-CB 4.04Å; N561-H564 WeakPolarHBondContact O-CB 3.38Å; N561-H564 PolarHBondContact O-N 3.23Å; N561-H564 VanDerWaalsContact O-N 3.07Å; H564-D566 IonicContact CE1-OD2 3.74Å; H564-D566 PolarHBondContact CE1-OD2 3.16Å; H564-D566 IonicContact ND1-OD2 3.16Å; H564-D566 PolarHBondContact O-N 2.98Å; H564-A567 HydrophobicContact CB-CB 4Å; H564-A567 PolarHBondContact O-N 3.01Å; H564-W568 PolarHBondContact O-N 3.18Å | ||
| 565 | P | 89.1 | Confident | 89.4 | Confident | 39 Ų | 39 | 48.2 Ų | 48.2 | 25% | 0.253 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.3 | -40.3 | -171.7 | -25.9 | 37.3 | 0 | 0 | 0 | 113.8 | D563 A567 W568 S569 I591 T597 | D563-P565 VanDerWaalsContact O-CD 3.29Å; D563-P565 WeakPolarHBondContact O-CD 3.44Å; P565-A567 VanDerWaalsContact C-N 3.32Å; P565-A567 PolarHBondContact O-N 2.71Å; P565-W568 PolarHBondContact O-N 3.05Å; P565-S569 WeakPolarHBondContact O-CB 3.18Å; P565-S569 PolarHBondContact O-N 3.3Å; P565-S569 PolarHBondContact O-OG 3.06Å; P565-I591 HydrophobicContact CB-CG2 4.09Å; P565-I591 WeakPolarHBondContact O-CD1 3.3Å; P565-T597 HydrophobicContact CG-CG2 3.78Å |
| 566 | D | 89 | Confident | 89.1 | Confident | 89 Ų | 89 | 44.6 Ų | 44.6 | 48% | 0.476 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.8 | -32.7 | 179.2 | -60.1 | -59.2 | 0 | 0 | 0 | 112.8 | L535 H564 S569 L570 | L535-D566 HydrophobicContact CD1-CB 4.07Å; H564-D566 IonicContact CE1-OD2 3.74Å; H564-D566 PolarHBondContact CE1-OD2 3.16Å; H564-D566 IonicContact ND1-OD2 3.16Å; H564-D566 PolarHBondContact O-N 2.98Å; D566-S569 PolarHBondContact O-N 2.91Å; D566-L570 VanDerWaalsContact O-CB 3.31Å; D566-L570 WeakPolarHBondContact O-CB 3.31Å; D566-L570 WeakPolarHBondContact O-CD1 3.4Å; D566-L570 VanDerWaalsContact O-CG 3.24Å; D566-L570 WeakPolarHBondContact O-CG 3.46Å; D566-L570 PolarHBondContact O-N 3.49Å |
| 567 | A | 90.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.2 | -47 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L535 L558 H564 P565 S569 L570 I571 | L535-A567 HydrophobicContact CD2-CB 3.71Å; L558-A567 HydrophobicContact CD2-CB 3.63Å; L558-A567 HydrophobicContact CG-CB 3.81Å; H564-A567 HydrophobicContact CB-CB 4Å; H564-A567 PolarHBondContact O-N 3.01Å; P565-A567 VanDerWaalsContact C-N 3.32Å; P565-A567 PolarHBondContact O-N 2.71Å; A567-S569 VanDerWaalsContact C-N 3.31Å; A567-S569 PolarHBondContact O-N 3.34Å; A567-L570 PolarHBondContact O-N 3.32Å; A567-I571 WeakPolarHBondContact O-CG1 3.35Å; A567-I571 PolarHBondContact O-N 2.74Å |
| 568 | W | 90.7 | Very high | 88.2 | Confident | 28 Ų | 28 | 46.7 Ų | 46.7 | 11% | 0.106 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62 | -37.7 | 172.2 | -75.1 | 117.5 | 0 | 0 | 0 | 112.6 | L558 Q562 H564 P565 G572 K587 R590 I591 | L558-W568 HydrophobicContact CD1-CD2 3.87Å; L558-W568 HydrophobicContact CD1-CE3 3.85Å; L558-W568 HydrophobicContact CD1-CH2 3.71Å; L558-W568 HydrophobicContact CD1-CZ2 3.73Å; L558-W568 HydrophobicContact CD1-CZ3 3.76Å; L558-W568 HydrophobicContact CD2-CD2 4.14Å; L558-W568 HydrophobicContact CD2-CG 4.23Å; L558-W568 HydrophobicContact CD2-CZ2 4.11Å; Q562-W568 PolarHBondContact O-NE1 3.23Å; H564-W568 PolarHBondContact O-N 3.18Å; P565-W568 PolarHBondContact O-N 3.05Å; W568-G572 PolarHBondContact O-N 3.38Å; W568-K587 HydrophobicContact CE3-CD 3.89Å; W568-K587 HydrophobicContact CZ3-CD 3.88Å; W568-R590 VanDerWaalsContact CZ2-NH1 3.32Å; W568-I591 HydrophobicContact CB-CD1 3.64Å; W568-I591 HydrophobicContact CB-CG1 3.68Å; W568-I591 HydrophobicContact CG-CG1 4.38Å |
| 569 | S | 90.9 | Very high | 87.8 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.028 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 177 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | P565 D566 A567 G572 N573 I591 | P565-S569 WeakPolarHBondContact O-CB 3.18Å; P565-S569 PolarHBondContact O-N 3.3Å; P565-S569 PolarHBondContact O-OG 3.06Å; D566-S569 PolarHBondContact O-N 2.91Å; A567-S569 VanDerWaalsContact C-N 3.31Å; A567-S569 PolarHBondContact O-N 3.34Å; S569-G572 PolarHBondContact O-N 3.05Å; S569-N573 WeakPolarHBondContact O-CB 3.39Å; S569-N573 VanDerWaalsContact O-CG 3.3Å; S569-N573 PolarHBondContact O-N 3.19Å; S569-N573 PolarHBondContact O-ND2 3.09Å; S569-I591 VanDerWaalsContact OG-CD1 3.31Å; S569-I591 WeakPolarHBondContact OG-CD1 3.44Å |
| 570 | L | 90.4 | Very high | 87.6 | Confident | 33 Ų | 33 | 48.8 Ų | 48.8 | 17% | 0.173 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.7 | -38.3 | 176.7 | -75.5 | 164.9 | 0 | 0 | 0 | 112 | L535 F554 D566 A567 N573 L574 | L535-L570 HydrophobicContact CB-CD1 3.99Å; L535-L570 HydrophobicContact CD1-CD1 4.28Å; L535-L570 HydrophobicContact CD2-CD1 4.08Å; L535-L570 HydrophobicContact CG-CD1 4.34Å; F554-L570 HydrophobicContact CD1-CB 4.19Å; F554-L570 HydrophobicContact CD1-CD1 4.45Å; F554-L570 HydrophobicContact CD2-CB 4.25Å; F554-L570 HydrophobicContact CE1-CB 3.91Å; F554-L570 HydrophobicContact CE1-CD1 3.93Å; F554-L570 HydrophobicContact CE1-CG 4.36Å; F554-L570 HydrophobicContact CE2-CB 3.99Å; F554-L570 HydrophobicContact CG-CB 4.38Å; F554-L570 HydrophobicContact CZ-CB 3.82Å; F554-L570 HydrophobicContact CZ-CD1 4.42Å; F554-L570 HydrophobicContact CZ-CD2 4.29Å; F554-L570 HydrophobicContact CZ-CG 4.4Å; D566-L570 VanDerWaalsContact O-CB 3.31Å; D566-L570 WeakPolarHBondContact O-CB 3.31Å; D566-L570 WeakPolarHBondContact O-CD1 3.4Å; D566-L570 VanDerWaalsContact O-CG 3.24Å; D566-L570 WeakPolarHBondContact O-CG 3.46Å; D566-L570 PolarHBondContact O-N 3.49Å; A567-L570 PolarHBondContact O-N 3.32Å; L570-N573 PolarHBondContact O-N 2.93Å; L570-L574 WeakPolarHBondContact O-CB 3.36Å; L570-L574 PolarHBondContact O-N 3.48Å |
| 571 | I | 88.7 | Confident | 87.2 | Confident | 11 Ų | 11 | 48.8 Ų | 48.8 | 6% | 0.056 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.7 | -40.2 | 170.2 | -65.2 | 177.5 | 0 | 0 | 0 | 111.3 | F554 L558 A567 L574 H575 K587 | F554-I571 HydrophobicContact CB-CD1 3.82Å; F554-I571 HydrophobicContact CB-CG1 3.48Å; F554-I571 VanDerWaalsContact CB-CG1 3.48Å; F554-I571 HydrophobicContact CD2-CG1 4.01Å; F554-I571 HydrophobicContact CG-CG1 4.12Å; L558-I571 HydrophobicContact CD1-CD1 3.48Å; L558-I571 VanDerWaalsContact CD1-CD1 3.48Å; A567-I571 WeakPolarHBondContact O-CG1 3.35Å; A567-I571 PolarHBondContact O-N 2.74Å; I571-L574 WeakPolarHBondContact O-CB 3.46Å; I571-L574 PolarHBondContact O-N 3.23Å; I571-H575 PolarHBondContact O-CD2 3.15Å; I571-H575 PolarHBondContact O-N 3.32Å; I571-K587 HydrophobicContact CG2-CG 4.25Å |
| 572 | G | 89.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.8 | -53.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | W568 S569 L574 H575 L576 | W568-G572 PolarHBondContact O-N 3.38Å; S569-G572 PolarHBondContact O-N 3.05Å; G572-L574 VanDerWaalsContact C-N 3.31Å; G572-L574 PolarHBondContact O-N 3.39Å; G572-H575 WeakPolarHBondContact O-CB 3.18Å; G572-H575 PolarHBondContact O-N 2.88Å; G572-H575 VanDerWaalsContact O-N 3.13Å; G572-L576 WeakPolarHBondContact O-CG 3.35Å; G572-L576 PolarHBondContact O-N 3.09Å |
| 573 | N | 88.2 | Confident | 87.1 | Confident | 37 Ų | 37 | 43.7 Ų | 43.7 | 20% | 0.198 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.1 | -36.1 | 175.7 | -74 | -35.1 | 0 | 0 | 0 | 113.4 | S569 L570 L576 A577 Y602 | S569-N573 WeakPolarHBondContact O-CB 3.39Å; S569-N573 VanDerWaalsContact O-CG 3.3Å; S569-N573 PolarHBondContact O-N 3.19Å; S569-N573 PolarHBondContact O-ND2 3.09Å; L570-N573 PolarHBondContact O-N 2.93Å; N573-L576 PolarHBondContact O-N 3.19Å; N573-A577 PolarHBondContact O-N 3.11Å; N573-Y602 PolarHBondContact ND2-OH 2.91Å |
| 574 | L | 88 | Confident | 87.2 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.3 | -39.2 | 175.5 | -173.7 | 63.7 | 0 | 0 | 0 | 111.9 | R542 F547 A550 F554 L570 I571 G572 K578 | R542-L574 HydrophobicContact CG-CD1 4.33Å; F547-L574 HydrophobicContact CB-CD1 4.09Å; F547-L574 HydrophobicContact CD1-CD1 3.67Å; F547-L574 HydrophobicContact CG-CD1 4.33Å; A550-L574 HydrophobicContact CB-CD1 4.48Å; F554-L574 HydrophobicContact CD2-CD2 4.22Å; F554-L574 HydrophobicContact CE2-CD2 4.36Å; L570-L574 WeakPolarHBondContact O-CB 3.36Å; L570-L574 PolarHBondContact O-N 3.48Å; I571-L574 WeakPolarHBondContact O-CB 3.46Å; I571-L574 PolarHBondContact O-N 3.23Å; G572-L574 VanDerWaalsContact C-N 3.31Å; G572-L574 PolarHBondContact O-N 3.39Å; L574-K578 PolarHBondContact O-N 3.16Å |
| 575 | H | 87.1 | Confident | 87.3 | Confident | 36 Ų | 36 | 39.4 Ų | 39.4 | 17% | 0.167 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.9 | -39.5 | 170.7 | -70.5 | -65.8 | 0 | 0 | 0 | 111.9 | I571 G572 A577 K578 Q579 E580 P583 | I571-H575 PolarHBondContact O-CD2 3.15Å; I571-H575 PolarHBondContact O-N 3.32Å; G572-H575 WeakPolarHBondContact O-CB 3.18Å; G572-H575 PolarHBondContact O-N 2.88Å; G572-H575 VanDerWaalsContact O-N 3.13Å; H575-A577 VanDerWaalsContact C-N 3.33Å; H575-A577 PolarHBondContact O-N 3.12Å; H575-K578 CarbonylContact O-C 3.45Å; H575-K578 PolarHBondContact O-N 3.28Å; H575-K578 VanDerWaalsContact O-N 3.14Å; H575-Q579 PolarHBondContact O-N 3.33Å; H575-Q579 VanDerWaalsContact O-N 3.14Å; H575-E580 HydrophobicContact CB-CB 4.05Å; H575-E580 IonicContact CE1-OE2 2.81Å; H575-E580 IonicContact CG-OE2 2.72Å; H575-E580 IonicContact ND1-OE2 3.62Å; H575-E580 PolarHBondContact ND1-OE2 2.86Å; H575-E580 WeakPolarHBondContact O-CB 3.45Å; H575-E580 PolarHBondContact O-N 3.48Å; H575-P583 HydrophobicContact CB-CB 4.43Å |
| 576 | L | 85 | Confident | 87.3 | Confident | 23 Ų | 23 | 45 Ų | 45 | 12% | 0.12 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.2 | -39.1 | 175.6 | -56.2 | -170.4 | 0 | 0 | 0 | 112.2 | G572 N573 K578 Q579 W581 F588 V610 | G572-L576 WeakPolarHBondContact O-CG 3.35Å; G572-L576 PolarHBondContact O-N 3.09Å; N573-L576 PolarHBondContact O-N 3.19Å; L576-K578 VanDerWaalsContact C-N 3.28Å; L576-K578 PolarHBondContact O-N 2.99Å; L576-Q579 WeakPolarHBondContact O-CA 3.21Å; L576-Q579 PolarHBondContact O-N 3.03Å; L576-W581 HydrophobicContact CB-CZ3 4.19Å; L576-W581 HydrophobicContact CD2-CE3 3.76Å; L576-W581 HydrophobicContact CD2-CZ3 3.97Å; L576-F588 HydrophobicContact CD1-CE2 4.04Å; L576-F588 HydrophobicContact CD1-CZ 4.41Å; L576-F588 HydrophobicContact CG-CE2 4.32Å; L576-V610 HydrophobicContact CD1-CG2 4.12Å; L576-V610 HydrophobicContact CD2-CG2 3.56Å; L576-V610 HydrophobicContact CG-CG2 4.49Å |
| 577 | A | 83.1 | Confident | 87.4 | Confident | 58 Ų | 58 | 43.5 Ų | 43.5 | 48% | 0.479 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.6 | -33.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F547 N573 H575 Q579 | F547-A577 HydrophobicContact CE1-CB 4.49Å; N573-A577 PolarHBondContact O-N 3.11Å; H575-A577 VanDerWaalsContact C-N 3.33Å; H575-A577 PolarHBondContact O-N 3.12Å; A577-Q579 VanDerWaalsContact C-N 3.27Å; A577-Q579 PolarHBondContact O-N 3.43Å |
| 578 | K | 83.5 | Confident | 87.3 | Confident | 71 Ų | 71 | 43.5 Ų | 43.5 | 31% | 0.309 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -0.8 | 171.9 | -65.4 | -179.8 | -175.9 | 179.6 | 0 | 114 | L574 H575 L576 E580 | L574-K578 PolarHBondContact O-N 3.16Å; H575-K578 CarbonylContact O-C 3.45Å; H575-K578 PolarHBondContact O-N 3.28Å; H575-K578 VanDerWaalsContact O-N 3.14Å; L576-K578 VanDerWaalsContact C-N 3.28Å; L576-K578 PolarHBondContact O-N 2.99Å; K578-E580 HydrophobicContact CB-CB 4.47Å; K578-E580 HydrophobicContact CB-CG 3.84Å; K578-E580 WeakPolarHBondContact CD-OE1 3.42Å; K578-E580 PolarHBondContact O-N 3.46Å |
| 579 | Q | 81.7 | Confident | 87.2 | Confident | 127 Ų | 127 | 45 Ų | 45 | 59% | 0.593 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 22.6 | -172.7 | -49.7 | -175.5 | -1.8 | 0 | 0 | 113.8 | H575 L576 A577 W581 | H575-Q579 PolarHBondContact O-N 3.33Å; H575-Q579 VanDerWaalsContact O-N 3.14Å; L576-Q579 WeakPolarHBondContact O-CA 3.21Å; L576-Q579 PolarHBondContact O-N 3.03Å; A577-Q579 VanDerWaalsContact C-N 3.27Å; A577-Q579 PolarHBondContact O-N 3.43Å; Q579-W581 VanDerWaalsContact C-N 3.34Å; Q579-W581 HydrophobicContact CB-CH2 4.42Å; Q579-W581 HydrophobicContact CB-CZ2 3.76Å; Q579-W581 HydrophobicContact CG-CH2 4.45Å; Q579-W581 HydrophobicContact CG-CZ2 4.04Å; Q579-W581 VanDerWaalsContact O-CD1 3.3Å; Q579-W581 PolarHBondContact O-N 3.17Å; Q579-W581 VanDerWaalsContact O-N 3.13Å; Q579-W581 PolarHBondContact O-NE1 2.95Å |
| 580 | E | 86 | Confident | 87 | Confident | 77 Ų | 77 | 49.3 Ų | 49.3 | 36% | 0.36 | 25% | 0.247 | S | C | . | . | trans | -87.6 | 66.3 | 179.8 | -67.3 | 172.1 | -168.4 | 0 | 0 | 110.9 | H575 K578 G582 P583 G584 | H575-E580 HydrophobicContact CB-CB 4.05Å; H575-E580 IonicContact CE1-OE2 2.81Å; H575-E580 IonicContact CG-OE2 2.72Å; H575-E580 IonicContact ND1-OE2 3.62Å; H575-E580 PolarHBondContact ND1-OE2 2.86Å; H575-E580 WeakPolarHBondContact O-CB 3.45Å; H575-E580 PolarHBondContact O-N 3.48Å; K578-E580 HydrophobicContact CB-CB 4.47Å; K578-E580 HydrophobicContact CB-CG 3.84Å; K578-E580 WeakPolarHBondContact CD-OE1 3.42Å; K578-E580 PolarHBondContact O-N 3.46Å; E580-G582 VanDerWaalsContact C-N 3.34Å; E580-G582 PolarHBondContact O-N 3.21Å; E580-P583 HydrophobicContact CB-CB 4.48Å; E580-P583 HydrophobicContact CB-CG 4.21Å; E580-P583 WeakPolarHBondContact O-CD 3.39Å; E580-G584 PolarHBondContact O-N 2.81Å; E580-G584 VanDerWaalsContact O-N 3.1Å | ||
| 581 | W | 82.7 | Confident | 86.9 | Confident | 54 Ų | 54 | 47.8 Ų | 47.8 | 21% | 0.205 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.8 | -42.5 | -171.8 | -47.2 | 113.9 | 0 | 0 | 0 | 114.2 | L576 Q579 G584 Q585 V610 Q613 T614 | L576-W581 HydrophobicContact CB-CZ3 4.19Å; L576-W581 HydrophobicContact CD2-CE3 3.76Å; L576-W581 HydrophobicContact CD2-CZ3 3.97Å; Q579-W581 VanDerWaalsContact C-N 3.34Å; Q579-W581 HydrophobicContact CB-CH2 4.42Å; Q579-W581 HydrophobicContact CB-CZ2 3.76Å; Q579-W581 HydrophobicContact CG-CH2 4.45Å; Q579-W581 HydrophobicContact CG-CZ2 4.04Å; Q579-W581 VanDerWaalsContact O-CD1 3.3Å; Q579-W581 PolarHBondContact O-N 3.17Å; Q579-W581 VanDerWaalsContact O-N 3.13Å; Q579-W581 PolarHBondContact O-NE1 2.95Å; W581-G584 PolarHBondContact O-N 3.5Å; W581-Q585 VanDerWaalsContact O-CB 3.29Å; W581-Q585 WeakPolarHBondContact O-CB 3.45Å; W581-Q585 PolarHBondContact O-N 2.98Å; W581-V610 HydrophobicContact CB-CG1 4.02Å; W581-V610 HydrophobicContact CE3-CG1 4.4Å; W581-Q613 HydrophobicContact CE3-CB 4.16Å; W581-Q613 HydrophobicContact CH2-CB 3.98Å; W581-Q613 HydrophobicContact CH2-CG 4.23Å; W581-Q613 HydrophobicContact CZ2-CB 4.36Å; W581-Q613 HydrophobicContact CZ3-CB 3.87Å; W581-Q613 VanDerWaalsContact CZ3-CD 3.41Å; W581-Q613 HydrophobicContact CZ3-CG 4.15Å; W581-T614 HydrophobicContact CB-CG2 4.47Å |
| 582 | G | 86.1 | Confident | 86.8 | Confident | 36 Ų | 36 | 48.7 Ų | 48.7 | 37% | 0.371 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67 | -51.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E580 K586 | E580-G582 VanDerWaalsContact C-N 3.34Å; E580-G582 PolarHBondContact O-N 3.21Å; G582-K586 WeakPolarHBondContact O-CG 3.4Å; G582-K586 PolarHBondContact O-N 3.24Å |
| 583 | P | 87.1 | Confident | 86.7 | Confident | 60 Ų | 60 | 56.1 Ų | 56.1 | 39% | 0.39 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -55.4 | -46.1 | 169.4 | -30.3 | 37.1 | 0 | 0 | 0 | 113.3 | H575 E580 K586 K587 | H575-P583 HydrophobicContact CB-CB 4.43Å; E580-P583 HydrophobicContact CB-CB 4.48Å; E580-P583 HydrophobicContact CB-CG 4.21Å; E580-P583 WeakPolarHBondContact O-CD 3.39Å; P583-K586 PolarHBondContact O-N 3.21Å; P583-K587 PolarHBondContact O-N 3.36Å |
| 584 | G | 87 | Confident | 86.6 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.6 | -49.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E580 W581 K586 K587 F588 | E580-G584 PolarHBondContact O-N 2.81Å; E580-G584 VanDerWaalsContact O-N 3.1Å; W581-G584 PolarHBondContact O-N 3.5Å; G584-K586 VanDerWaalsContact C-N 3.29Å; G584-K586 PolarHBondContact O-N 2.92Å; G584-K587 WeakPolarHBondContact O-CB 3.25Å; G584-K587 PolarHBondContact O-N 3.29Å; G584-F588 WeakPolarHBondContact O-CD2 3.12Å; G584-F588 PolarHBondContact O-N 3.15Å |
| 585 | Q | 88.5 | Confident | 86.4 | Confident | 41 Ų | 41 | 61.3 Ų | 61.3 | 19% | 0.192 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -50.8 | -47.4 | 175.4 | -174.3 | -170.2 | -22.3 | 0 | 0 | 111.7 | W581 K587 F588 E589 L607 V610 | W581-Q585 VanDerWaalsContact O-CB 3.29Å; W581-Q585 WeakPolarHBondContact O-CB 3.45Å; W581-Q585 PolarHBondContact O-N 2.98Å; Q585-K587 PolarHBondContact O-N 3Å; Q585-F588 PolarHBondContact O-N 3.08Å; Q585-E589 HydrophobicContact CG-CG 4.4Å; Q585-E589 PolarHBondContact NE2-OE1 3.42Å; Q585-E589 WeakPolarHBondContact O-CB 3.21Å; Q585-E589 WeakPolarHBondContact O-CG 3.39Å; Q585-E589 PolarHBondContact O-N 3.4Å; Q585-L607 HydrophobicContact CG-CD1 3.65Å; Q585-V610 HydrophobicContact CB-CG1 4.37Å |
| 586 | K | 90.2 | Very high | 86.1 | Confident | 156 Ų | 156 | 65 Ų | 65 | 68% | 0.678 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.3 | -22.2 | 179.8 | -72.6 | -179.5 | 178 | -175.8 | 0 | 114 | G582 P583 G584 R590 | G582-K586 WeakPolarHBondContact O-CG 3.4Å; G582-K586 PolarHBondContact O-N 3.24Å; P583-K586 PolarHBondContact O-N 3.21Å; G584-K586 VanDerWaalsContact C-N 3.29Å; G584-K586 PolarHBondContact O-N 2.92Å; K586-R590 PolarHBondContact O-N 3.44Å |
| 587 | K | 90.5 | Very high | 86.1 | Confident | 59 Ų | 59 | 65.1 Ų | 65.1 | 26% | 0.257 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -77 | -50.8 | 174.4 | -55.7 | -47.6 | -171.1 | 174.7 | 0 | 111 | W568 I571 P583 G584 Q585 E589 R590 I591 | W568-K587 HydrophobicContact CE3-CD 3.89Å; W568-K587 HydrophobicContact CZ3-CD 3.88Å; I571-K587 HydrophobicContact CG2-CG 4.25Å; P583-K587 PolarHBondContact O-N 3.36Å; G584-K587 WeakPolarHBondContact O-CB 3.25Å; G584-K587 PolarHBondContact O-N 3.29Å; Q585-K587 PolarHBondContact O-N 3Å; K587-E589 VanDerWaalsContact C-N 3.3Å; K587-E589 PolarHBondContact O-N 2.81Å; K587-R590 WeakPolarHBondContact O-CB 3.5Å; K587-R590 PolarHBondContact O-N 3.38Å; K587-I591 PolarHBondContact O-N 3.2Å |
| 588 | F | 89.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 176.6 | -59.8 | -66 | 0 | 0 | 0 | 112.1 | L576 G584 Q585 R590 I591 L592 Y602 A606 V610 | L576-F588 HydrophobicContact CD1-CE2 4.04Å; L576-F588 HydrophobicContact CD1-CZ 4.41Å; L576-F588 HydrophobicContact CG-CE2 4.32Å; G584-F588 WeakPolarHBondContact O-CD2 3.12Å; G584-F588 PolarHBondContact O-N 3.15Å; Q585-F588 PolarHBondContact O-N 3.08Å; F588-R590 PolarHBondContact O-N 3.26Å; F588-I591 HydrophobicContact CD1-CD1 4.44Å; F588-I591 PolarHBondContact O-N 3.07Å; F588-L592 WeakPolarHBondContact O-CG 3.44Å; F588-L592 PolarHBondContact O-N 2.95Å; F588-Y602 HydrophobicContact CE1-CE1 4.37Å; F588-A606 HydrophobicContact CD1-CB 3.65Å; F588-A606 HydrophobicContact CD2-CB 4.08Å; F588-A606 HydrophobicContact CE1-CB 3.44Å; F588-A606 VanDerWaalsContact CE1-CB 3.44Å; F588-A606 HydrophobicContact CE2-CB 3.91Å; F588-A606 HydrophobicContact CG-CB 3.97Å; F588-A606 HydrophobicContact CZ-CB 3.59Å; F588-V610 HydrophobicContact CD2-CG2 4.49Å |
| 589 | E | 87.8 | Confident | 86 | Confident | 59 Ų | 59 | 68.1 Ų | 68.1 | 28% | 0.276 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.8 | -15.9 | 171.6 | -75.6 | -177.3 | -173.1 | 0 | 0 | 114.6 | Q585 K587 K593 L607 | Q585-E589 HydrophobicContact CG-CG 4.4Å; Q585-E589 PolarHBondContact NE2-OE1 3.42Å; Q585-E589 WeakPolarHBondContact O-CB 3.21Å; Q585-E589 WeakPolarHBondContact O-CG 3.39Å; Q585-E589 PolarHBondContact O-N 3.4Å; K587-E589 VanDerWaalsContact C-N 3.3Å; K587-E589 PolarHBondContact O-N 2.81Å; E589-K593 WeakPolarHBondContact O-CD 3.43Å; E589-K593 WeakPolarHBondContact O-CE 3.38Å; E589-K593 WeakPolarHBondContact O-CG 3.35Å; E589-L607 HydrophobicContact CG-CD1 4.24Å; E589-L607 HydrophobicContact CG-CD2 4.41Å |
| 590 | R | 87.4 | Confident | 86.3 | Confident | 95 Ų | 95 | 64.1 Ų | 64.1 | 36% | 0.358 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -76.9 | -45.9 | 171.4 | 179.6 | 178.1 | 168.2 | 156.5 | -3.7 | 110.4 | Q562 D563 W568 K586 K587 F588 L592 K593 | Q562-R590 PolarHBondContact O-NH2 3.4Å; D563-R590 IonicContact OD1-CZ 2.88Å; D563-R590 IonicContact OD1-NE 3.65Å; D563-R590 IonicContact OD1-NH2 2.64Å; D563-R590 PolarHBondContact OD1-NH2 3.18Å; W568-R590 VanDerWaalsContact CZ2-NH1 3.32Å; K586-R590 PolarHBondContact O-N 3.44Å; K587-R590 WeakPolarHBondContact O-CB 3.5Å; K587-R590 PolarHBondContact O-N 3.38Å; F588-R590 PolarHBondContact O-N 3.26Å; R590-L592 VanDerWaalsContact C-N 3.31Å; R590-L592 PolarHBondContact O-N 3.1Å; R590-K593 PolarHBondContact O-N 3.14Å; R590-K593 VanDerWaalsContact O-N 3.12Å |
| 591 | I | 87.8 | Confident | 86.5 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 179.6 | -55 | 165.4 | 0 | 0 | 0 | 110.3 | P565 W568 S569 K587 F588 K593 Q594 T597 D600 S603 | P565-I591 HydrophobicContact CB-CG2 4.09Å; P565-I591 WeakPolarHBondContact O-CD1 3.3Å; W568-I591 HydrophobicContact CB-CD1 3.64Å; W568-I591 HydrophobicContact CB-CG1 3.68Å; W568-I591 HydrophobicContact CG-CG1 4.38Å; S569-I591 VanDerWaalsContact OG-CD1 3.31Å; S569-I591 WeakPolarHBondContact OG-CD1 3.44Å; K587-I591 PolarHBondContact O-N 3.2Å; F588-I591 HydrophobicContact CD1-CD1 4.44Å; F588-I591 PolarHBondContact O-N 3.07Å; I591-K593 PolarHBondContact O-N 2.93Å; I591-Q594 PolarHBondContact O-N 3.21Å; I591-T597 PolarHBondContact O-OG1 2.92Å; I591-D600 HydrophobicContact CG2-CB 4.48Å; I591-S603 WeakPolarHBondContact CD1-OG 3.45Å; I591-S603 WeakPolarHBondContact CG2-OG 3.21Å |
| 592 | L | 85.9 | Confident | 86.9 | Confident | 30 Ų | 30 | 65.4 Ų | 65.4 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -1.6 | -179.7 | -63.3 | 172.3 | 0 | 0 | 0 | 114.7 | F588 R590 D600 M604 L607 | F588-L592 WeakPolarHBondContact O-CG 3.44Å; F588-L592 PolarHBondContact O-N 2.95Å; R590-L592 VanDerWaalsContact C-N 3.31Å; R590-L592 PolarHBondContact O-N 3.1Å; L592-D600 HydrophobicContact CD2-CB 4.46Å; L592-M604 HydrophobicContact CD1-CG 4.1Å; L592-M604 HydrophobicContact CD2-CE 4.22Å; L592-M604 HydrophobicContact CD2-CG 3.76Å; L592-L607 HydrophobicContact CD1-CD2 3.99Å |
| 593 | K | 87.1 | Confident | 87.1 | Confident | 156 Ų | 156 | 63.7 Ų | 63.7 | 68% | 0.678 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -17.9 | 173.6 | -78.7 | 168.5 | -170.7 | 167.6 | 0 | 113.6 | E589 R590 I591 | E589-K593 WeakPolarHBondContact O-CD 3.43Å; E589-K593 WeakPolarHBondContact O-CE 3.38Å; E589-K593 WeakPolarHBondContact O-CG 3.35Å; R590-K593 PolarHBondContact O-N 3.14Å; R590-K593 VanDerWaalsContact O-N 3.12Å; I591-K593 PolarHBondContact O-N 2.93Å |
| 594 | Q | 86.6 | Confident | 87.3 | Confident | 31 Ų | 31 | 61.3 Ų | 61.3 | 15% | 0.145 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -77.8 | 132.4 | 175.3 | -71.9 | 155.9 | -32.1 | 0 | 0 | 109 | D563 I591 S596 T597 Q598 | D563-Q594 VanDerWaalsContact CB-NE2 3.29Å; D563-Q594 PolarHBondContact OD1-NE2 3.31Å; D563-Q594 PolarHBondContact OD2-NE2 3.05Å; I591-Q594 PolarHBondContact O-N 3.21Å; Q594-S596 VanDerWaalsContact C-N 3.31Å; Q594-S596 PolarHBondContact O-N 3.5Å; Q594-T597 WeakPolarHBondContact CB-OG1 3.39Å; Q594-T597 CarbonylContact O-C 3.6Å; Q594-T597 PolarHBondContact O-N 3.44Å; Q594-T597 PolarHBondContact OE1-OG1 3.3Å; Q594-Q598 PolarHBondContact O-N 3.36Å |
| 595 | P | 83.1 | Confident | 87.5 | Confident | 118 Ų | 118 | 62 Ų | 62 | 77% | 0.766 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -59.6 | -38.7 | -176.3 | -26.6 | 35.2 | 0 | 0 | 0 | 113.8 | T597 Q598 | P595-T597 VanDerWaalsContact C-N 3.32Å; P595-T597 PolarHBondContact O-N 3.3Å; P595-Q598 PolarHBondContact O-N 3Å |
| 596 | S | 82.4 | Confident | 87.6 | Confident | 113 Ų | 113 | 60.4 Ų | 60.4 | 79% | 0.79 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -63 | -33.4 | 179.2 | 44.9 | 0 | 0 | 0 | 0 | 113.6 | Q594 | Q594-S596 VanDerWaalsContact C-N 3.31Å; Q594-S596 PolarHBondContact O-N 3.5Å |
| 597 | T | 84.1 | Confident | 87.6 | Confident | 26 Ų | 26 | 53.8 Ų | 53.8 | 16% | 0.16 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -113.4 | 14.3 | -176.8 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | P565 I591 Q594 P595 S599 D600 | P565-T597 HydrophobicContact CG-CG2 3.78Å; I591-T597 PolarHBondContact O-OG1 2.92Å; Q594-T597 WeakPolarHBondContact CB-OG1 3.39Å; Q594-T597 CarbonylContact O-C 3.6Å; Q594-T597 PolarHBondContact O-N 3.44Å; Q594-T597 PolarHBondContact OE1-OG1 3.3Å; P595-T597 VanDerWaalsContact C-N 3.32Å; P595-T597 PolarHBondContact O-N 3.3Å; T597-S599 PolarHBondContact O-N 2.94Å; T597-S599 VanDerWaalsContact O-N 3.15Å; T597-D600 WeakPolarHBondContact O-CB 3.49Å; T597-D600 PolarHBondContact O-N 3.36Å |
| 598 | Q | 82.3 | Confident | 87.6 | Confident | 129 Ų | 129 | 51 Ų | 51 | 60% | 0.603 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -27 | -179.9 | -168.8 | 178.2 | 35.7 | 0 | 0 | 112.7 | Q594 P595 M604 | Q594-Q598 PolarHBondContact O-N 3.36Å; P595-Q598 PolarHBondContact O-N 3Å; Q598-M604 WeakPolarHBondContact O-CE 3.45Å |
| 599 | S | 82.4 | Confident | 87.6 | Confident | 64 Ų | 64 | 54.2 Ų | 54.2 | 45% | 0.448 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 19.3 | 174.2 | -169.1 | 0 | 0 | 0 | 0 | 113.9 | T597 T601 N642 | T597-S599 PolarHBondContact O-N 2.94Å; T597-S599 VanDerWaalsContact O-N 3.15Å; S599-T601 PolarHBondContact O-N 3.41Å; S599-N642 PolarHBondContact OG-ND2 2.88Å |
| 600 | D | 88.7 | Confident | 87.7 | Confident | 42 Ų | 42 | 51.4 Ų | 51.4 | 23% | 0.225 | 27% | 0.271 | C | S | . | . | trans | -60.9 | 113.3 | 175 | 172.9 | 31.8 | 0 | 0 | 0 | 111 | I591 L592 T597 Y602 S603 M604 | I591-D600 HydrophobicContact CG2-CB 4.48Å; L592-D600 HydrophobicContact CD2-CB 4.46Å; T597-D600 WeakPolarHBondContact O-CB 3.49Å; T597-D600 PolarHBondContact O-N 3.36Å; D600-Y602 VanDerWaalsContact C-N 3.31Å; D600-Y602 PolarHBondContact O-N 3.07Å; D600-Y602 PolarHBondContact OD1-N 3.14Å; D600-S603 WeakPolarHBondContact OD2-CB 3.32Å; D600-S603 PolarHBondContact OD2-N 3.39Å; D600-S603 PolarHBondContact OD2-OG 3.22Å; D600-M604 WeakPolarHBondContact O-CG 3.26Å; D600-M604 PolarHBondContact O-N 3.09Å; D600-M604 VanDerWaalsContact O-N 3.11Å | ||
| 601 | T | 89.8 | Confident | 87.7 | Confident | 44 Ų | 44 | 48.3 Ų | 48.3 | 27% | 0.27 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.9 | -34.6 | 179.7 | -71.8 | 0 | 0 | 0 | 0 | 111.7 | S599 L605 V639 N646 | S599-T601 PolarHBondContact O-N 3.41Å; T601-L605 HydrophobicContact CG2-CD1 3.84Å; T601-L605 HydrophobicContact CG2-CG 4.42Å; T601-L605 WeakPolarHBondContact O-CB 3.47Å; T601-L605 WeakPolarHBondContact O-CD1 3.46Å; T601-L605 WeakPolarHBondContact O-CG 3.33Å; T601-L605 PolarHBondContact O-N 2.71Å; T601-V639 HydrophobicContact CG2-CG1 4Å; T601-N646 WeakPolarHBondContact CG2-ND2 3.42Å |
| 602 | Y | 90.8 | Very high | 87.7 | Confident | 115 Ų | 115 | 49.3 Ų | 49.3 | 45% | 0.451 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.4 | -50.9 | -179.9 | -170.2 | -92.6 | 0 | 0 | 0 | 111.2 | N573 F588 D600 M604 L605 A606 | N573-Y602 PolarHBondContact ND2-OH 2.91Å; F588-Y602 HydrophobicContact CE1-CE1 4.37Å; D600-Y602 VanDerWaalsContact C-N 3.31Å; D600-Y602 PolarHBondContact O-N 3.07Å; D600-Y602 PolarHBondContact OD1-N 3.14Å; Y602-M604 VanDerWaalsContact C-N 3.34Å; Y602-M604 PolarHBondContact O-N 3.36Å; Y602-L605 PolarHBondContact O-N 3.47Å; Y602-A606 WeakPolarHBondContact O-CB 3.46Å; Y602-A606 PolarHBondContact O-N 2.67Å |
| 603 | S | 89.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -37 | 178.4 | -63.5 | 0 | 0 | 0 | 0 | 112.9 | I591 D600 L607 | I591-S603 WeakPolarHBondContact CD1-OG 3.45Å; I591-S603 WeakPolarHBondContact CG2-OG 3.21Å; D600-S603 WeakPolarHBondContact OD2-CB 3.32Å; D600-S603 PolarHBondContact OD2-N 3.39Å; D600-S603 PolarHBondContact OD2-OG 3.22Å; S603-L607 VanDerWaalsContact O-CB 3.26Å; S603-L607 WeakPolarHBondContact O-CB 3.23Å; S603-L607 PolarHBondContact O-N 3.18Å |
| 604 | M | 90.6 | Very high | 87.4 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.049 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.3 | -47.7 | 172.4 | -72.9 | -166.5 | -164.6 | 0 | 0 | 112.1 | L592 Q598 D600 Y602 A606 L607 G608 I635 Q638 V639 | L592-M604 HydrophobicContact CD1-CG 4.1Å; L592-M604 HydrophobicContact CD2-CE 4.22Å; L592-M604 HydrophobicContact CD2-CG 3.76Å; Q598-M604 WeakPolarHBondContact O-CE 3.45Å; D600-M604 WeakPolarHBondContact O-CG 3.26Å; D600-M604 PolarHBondContact O-N 3.09Å; D600-M604 VanDerWaalsContact O-N 3.11Å; Y602-M604 VanDerWaalsContact C-N 3.34Å; Y602-M604 PolarHBondContact O-N 3.36Å; M604-A606 VanDerWaalsContact C-N 3.35Å; M604-A606 PolarHBondContact O-N 2.9Å; M604-L607 PolarHBondContact O-N 3.2Å; M604-G608 PolarHBondContact O-N 3.22Å; M604-I635 HydrophobicContact CB-CG2 4.08Å; M604-I635 WeakPolarHBondContact O-CG2 3.28Å; M604-Q638 HydrophobicContact SD-CG 4.17Å; M604-V639 HydrophobicContact CB-CG2 3.44Å; M604-V639 VanDerWaalsContact CB-CG2 3.44Å; M604-V639 HydrophobicContact CG-CG2 4.26Å; M604-V639 HydrophobicContact SD-CG2 3.85Å |
| 605 | L | 92.1 | Very high | 87 | Confident | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.073 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.6 | -43.6 | 177.4 | -74.3 | 170.3 | 0 | 0 | 0 | 111.6 | T601 Y602 G608 N609 Y636 V639 Y648 A649 | T601-L605 HydrophobicContact CG2-CD1 3.84Å; T601-L605 HydrophobicContact CG2-CG 4.42Å; T601-L605 WeakPolarHBondContact O-CB 3.47Å; T601-L605 WeakPolarHBondContact O-CD1 3.46Å; T601-L605 WeakPolarHBondContact O-CG 3.33Å; T601-L605 PolarHBondContact O-N 2.71Å; Y602-L605 PolarHBondContact O-N 3.47Å; L605-G608 PolarHBondContact O-N 2.94Å; L605-N609 WeakPolarHBondContact O-CB 3.43Å; L605-N609 PolarHBondContact O-N 3.32Å; L605-N609 PolarHBondContact O-ND2 2.93Å; L605-N609 VanDerWaalsContact O-ND2 3.15Å; L605-Y636 HydrophobicContact CD2-CD1 4.13Å; L605-Y636 HydrophobicContact CD2-CE1 4.28Å; L605-V639 HydrophobicContact CD2-CG1 4.22Å; L605-V639 HydrophobicContact CG-CG1 4.31Å; L605-V639 HydrophobicContact CG-CG2 4.49Å; L605-Y648 HydrophobicContact CD1-CG 4.49Å; L605-A649 HydrophobicContact CD2-CB 3.99Å |
| 606 | A | 90.3 | Very high | 86.4 | Confident | 7 Ų | 7 | 45 Ų | 45 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60 | -47.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F588 Y602 M604 G608 N609 V610 | F588-A606 HydrophobicContact CD1-CB 3.65Å; F588-A606 HydrophobicContact CD2-CB 4.08Å; F588-A606 HydrophobicContact CE1-CB 3.44Å; F588-A606 VanDerWaalsContact CE1-CB 3.44Å; F588-A606 HydrophobicContact CE2-CB 3.91Å; F588-A606 HydrophobicContact CG-CB 3.97Å; F588-A606 HydrophobicContact CZ-CB 3.59Å; Y602-A606 WeakPolarHBondContact O-CB 3.46Å; Y602-A606 PolarHBondContact O-N 2.67Å; M604-A606 VanDerWaalsContact C-N 3.35Å; M604-A606 PolarHBondContact O-N 2.9Å; A606-G608 VanDerWaalsContact C-N 3.34Å; A606-G608 PolarHBondContact O-N 3.33Å; A606-N609 CarbonylContact O-C 3.36Å; A606-N609 WeakPolarHBondContact O-CA 3.45Å; A606-N609 WeakPolarHBondContact O-CB 3.1Å; A606-N609 PolarHBondContact O-N 3.32Å; A606-N609 VanDerWaalsContact O-N 3.11Å; A606-V610 VanDerWaalsContact O-CG2 3.31Å; A606-V610 WeakPolarHBondContact O-CG2 3.45Å; A606-V610 PolarHBondContact O-N 3.08Å |
| 607 | L | 89.6 | Confident | 85.7 | Confident | 17 Ų | 17 | 44.7 Ų | 44.7 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.3 | -41.1 | 175.7 | -176.5 | 62.5 | 0 | 0 | 0 | 112.4 | Q585 E589 L592 S603 M604 V610 W611 I635 | Q585-L607 HydrophobicContact CG-CD1 3.65Å; E589-L607 HydrophobicContact CG-CD1 4.24Å; E589-L607 HydrophobicContact CG-CD2 4.41Å; L592-L607 HydrophobicContact CD1-CD2 3.99Å; S603-L607 VanDerWaalsContact O-CB 3.26Å; S603-L607 WeakPolarHBondContact O-CB 3.23Å; S603-L607 PolarHBondContact O-N 3.18Å; M604-L607 PolarHBondContact O-N 3.2Å; L607-V610 PolarHBondContact O-N 2.99Å; L607-W611 PolarHBondContact O-N 2.76Å; L607-W611 VanDerWaalsContact O-N 3.15Å; L607-I635 HydrophobicContact CD2-CD1 4.06Å; L607-I635 HydrophobicContact CG-CD1 3.97Å |
| 608 | G | 90.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M604 L605 A606 W611 L612 Y636 | M604-G608 PolarHBondContact O-N 3.22Å; L605-G608 PolarHBondContact O-N 2.94Å; A606-G608 VanDerWaalsContact C-N 3.34Å; A606-G608 PolarHBondContact O-N 3.33Å; G608-W611 PolarHBondContact O-N 2.64Å; G608-L612 WeakPolarHBondContact O-CB 3.44Å; G608-L612 PolarHBondContact O-N 2.96Å; G608-Y636 PolarHBondContact O-OH 3.42Å |
| 609 | N | 89.7 | Confident | 83.6 | Confident | 68 Ų | 68 | 45.2 Ų | 45.2 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.7 | -40.1 | 175.9 | -75.5 | -39.8 | 0 | 0 | 0 | 112 | L605 A606 W611 L612 Q613 Y636 | L605-N609 WeakPolarHBondContact O-CB 3.43Å; L605-N609 PolarHBondContact O-N 3.32Å; L605-N609 PolarHBondContact O-ND2 2.93Å; L605-N609 VanDerWaalsContact O-ND2 3.15Å; A606-N609 CarbonylContact O-C 3.36Å; A606-N609 WeakPolarHBondContact O-CA 3.45Å; A606-N609 WeakPolarHBondContact O-CB 3.1Å; A606-N609 PolarHBondContact O-N 3.32Å; A606-N609 VanDerWaalsContact O-N 3.11Å; N609-W611 PolarHBondContact O-N 2.88Å; N609-L612 WeakPolarHBondContact O-CB 3.44Å; N609-L612 PolarHBondContact O-N 3.22Å; N609-Q613 WeakPolarHBondContact O-CB 3.41Å; N609-Q613 VanDerWaalsContact O-CG 3.29Å; N609-Q613 WeakPolarHBondContact O-CG 3.19Å; N609-Q613 PolarHBondContact O-N 3.45Å; N609-Q613 PolarHBondContact O-OE1 3.1Å; N609-Y636 PolarHBondContact N-OH 2.95Å; N609-Y636 PolarHBondContact OD1-OH 3.45Å |
| 610 | V | 90.1 | Very high | 82.2 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.6 | -49.3 | 173.6 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | L576 W581 Q585 F588 A606 L607 L612 Q613 T614 | L576-V610 HydrophobicContact CD1-CG2 4.12Å; L576-V610 HydrophobicContact CD2-CG2 3.56Å; L576-V610 HydrophobicContact CG-CG2 4.49Å; W581-V610 HydrophobicContact CB-CG1 4.02Å; W581-V610 HydrophobicContact CE3-CG1 4.4Å; Q585-V610 HydrophobicContact CB-CG1 4.37Å; F588-V610 HydrophobicContact CD2-CG2 4.49Å; A606-V610 VanDerWaalsContact O-CG2 3.31Å; A606-V610 WeakPolarHBondContact O-CG2 3.45Å; A606-V610 PolarHBondContact O-N 3.08Å; L607-V610 PolarHBondContact O-N 2.99Å; V610-L612 VanDerWaalsContact C-N 3.29Å; V610-L612 PolarHBondContact O-N 3.47Å; V610-Q613 PolarHBondContact O-N 3.31Å; V610-T614 WeakPolarHBondContact O-CG2 3.35Å; V610-T614 PolarHBondContact O-N 3.09Å |
| 611 | W | 87.8 | Confident | 81.5 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.9 | -39.9 | 176.9 | -72.6 | 116.8 | 0 | 0 | 0 | 112 | L607 G608 N609 T614 H628 R631 A632 | L607-W611 PolarHBondContact O-N 2.76Å; L607-W611 VanDerWaalsContact O-N 3.15Å; G608-W611 PolarHBondContact O-N 2.64Å; N609-W611 PolarHBondContact O-N 2.88Å; W611-T614 PolarHBondContact O-N 3.44Å; W611-T614 PolarHBondContact O-OG1 3.29Å; W611-H628 HydrophobicContact CE3-CB 4.41Å; W611-H628 AromaticContact CE3-CE1 3.91Å; W611-H628 AromaticContact CE3-ND1 3.26Å; W611-H628 VanDerWaalsContact CE3-ND1 3.26Å; W611-H628 AromaticContact CZ3-CE1 3.38Å; W611-H628 WeakPolarHBondContact CZ3-CE1 3.5Å; W611-H628 AromaticContact CZ3-ND1 3.18Å; W611-H628 WeakPolarHBondContact CZ3-ND1 3.37Å; W611-R631 VanDerWaalsContact CH2-NH1 3.31Å; W611-A632 HydrophobicContact CB-CB 3.95Å |
| 612 | L | 88.4 | Confident | 80.9 | Confident | 22 Ų | 22 | 63.7 Ų | 63.7 | 12% | 0.115 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 176.3 | -170.1 | 152.3 | 0 | 0 | 0 | 112.1 | G608 N609 V610 T614 L615 Y636 A655 V656 | G608-L612 WeakPolarHBondContact O-CB 3.44Å; G608-L612 PolarHBondContact O-N 2.96Å; N609-L612 WeakPolarHBondContact O-CB 3.44Å; N609-L612 PolarHBondContact O-N 3.22Å; V610-L612 VanDerWaalsContact C-N 3.29Å; V610-L612 PolarHBondContact O-N 3.47Å; L612-T614 VanDerWaalsContact C-N 3.29Å; L612-T614 PolarHBondContact O-N 3.38Å; L612-L615 WeakPolarHBondContact O-CB 3.5Å; L612-L615 WeakPolarHBondContact O-CG 3.47Å; L612-L615 PolarHBondContact O-N 2.75Å; L612-Y636 HydrophobicContact CD1-CE2 4.38Å; L612-A655 HydrophobicContact CD1-CB 3.77Å; L612-V656 HydrophobicContact CD1-CG2 4.2Å |
| 613 | Q | 83.8 | Confident | 80.4 | Confident | 69 Ų | 69 | 65 Ų | 65 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.2 | -32.6 | 177.6 | -72.6 | 164.1 | -43 | 0 | 0 | 112 | W581 N609 V610 L615 H616 | W581-Q613 HydrophobicContact CE3-CB 4.16Å; W581-Q613 HydrophobicContact CH2-CB 3.98Å; W581-Q613 HydrophobicContact CH2-CG 4.23Å; W581-Q613 HydrophobicContact CZ2-CB 4.36Å; W581-Q613 HydrophobicContact CZ3-CB 3.87Å; W581-Q613 VanDerWaalsContact CZ3-CD 3.41Å; W581-Q613 HydrophobicContact CZ3-CG 4.15Å; N609-Q613 WeakPolarHBondContact O-CB 3.41Å; N609-Q613 VanDerWaalsContact O-CG 3.29Å; N609-Q613 WeakPolarHBondContact O-CG 3.19Å; N609-Q613 PolarHBondContact O-N 3.45Å; N609-Q613 PolarHBondContact O-OE1 3.1Å; V610-Q613 PolarHBondContact O-N 3.31Å; Q613-L615 PolarHBondContact O-N 2.68Å; Q613-H616 PolarHBondContact O-N 3.17Å |
| 614 | T | 82.9 | Confident | 80 | Confident | 33 Ų | 33 | 69.1 Ų | 69.1 | 20% | 0.202 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.8 | -18.5 | 172.6 | 65.6 | 0 | 0 | 0 | 0 | 114.1 | W581 V610 W611 L612 H616 | W581-T614 HydrophobicContact CB-CG2 4.47Å; V610-T614 WeakPolarHBondContact O-CG2 3.35Å; V610-T614 PolarHBondContact O-N 3.09Å; W611-T614 PolarHBondContact O-N 3.44Å; W611-T614 PolarHBondContact O-OG1 3.29Å; L612-T614 VanDerWaalsContact C-N 3.29Å; L612-T614 PolarHBondContact O-N 3.38Å; T614-H616 VanDerWaalsContact C-N 3.26Å; T614-H616 PolarHBondContact O-N 3.36Å |
| 615 | L | 77.4 | Confident | 79.6 | Confident | 18 Ų | 18 | 71 Ų | 71 | 9% | 0.094 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -12.8 | 176.3 | -56.6 | 175.9 | 0 | 0 | 0 | 113.8 | L612 Q613 E625 H628 Q629 | L612-L615 WeakPolarHBondContact O-CB 3.5Å; L612-L615 WeakPolarHBondContact O-CG 3.47Å; L612-L615 PolarHBondContact O-N 2.75Å; Q613-L615 PolarHBondContact O-N 2.68Å; L615-E625 WeakPolarHBondContact CD2-O 3.48Å; L615-H628 HydrophobicContact CD2-CB 3.61Å; L615-Q629 HydrophobicContact CD1-CG 3.61Å; L615-Q629 HydrophobicContact CD2-CG 3.81Å; L615-Q629 HydrophobicContact CG-CG 4.38Å |
| 616 | H | 70.3 | Confident | 79.2 | Confident | 125 Ų | 125 | 76.5 Ų | 76.5 | 58% | 0.579 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -8.1 | -179.9 | -69.6 | -164.4 | 0 | 0 | 0 | 112.5 | Q613 T614 H659 | Q613-H616 PolarHBondContact O-N 3.17Å; T614-H616 VanDerWaalsContact C-N 3.26Å; T614-H616 PolarHBondContact O-N 3.36Å; H616-H659 AromaticContact CD2-CE1 3.49Å; H616-H659 PolarHBondContact CD2-CE1 3.03Å; H616-H659 VanDerWaalsContact CD2-CE1 3.49Å; H616-H659 AromaticContact CD2-NE2 3.59Å; H616-H659 AromaticContact NE2-CE1 3.32Å; H616-H659 PolarHBondContact NE2-CE1 3.19Å; H616-H659 VanDerWaalsContact NE2-CE1 3.32Å; H616-H659 AromaticContact NE2-NE2 3.03Å; H616-H659 PolarHBondContact NE2-NE2 2.82Å |
| 617 | Q | 68.3 | Low | 79.1 | Confident | 106 Ų | 106 | 83 Ų | 83 | 50% | 0.495 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -78.4 | 129.6 | 169.5 | -69 | -64.8 | -21.3 | 0 | 0 | 109.9 | T619 | Q617-T619 PolarHBondContact O-N 2.91Š|
| 618 | P | 59.1 | Low | 79 | Confident | 123 Ų | 123 | 83.5 Ų | 83.5 | 80% | 0.799 | 38% | 0.383 | S | S | * | . | trans | -75.2 | 75.3 | -179.8 | 31.5 | -35.4 | 0 | 0 | 0 | 111 | ||||
| 619 | T | 62.4 | Low | 78.9 | Confident | 43 Ų | 43 | 84.6 Ų | 84.6 | 26% | 0.264 | 39% | 0.388 | S | S | . | . | trans | -69.2 | 141.3 | 171.8 | 43.4 | 0 | 0 | 0 | 0 | 111 | Q617 D621 E625 | Q617-T619 PolarHBondContact O-N 2.91Å; T619-D621 PolarHBondContact O-N 2.7Å; T619-E625 VanDerWaalsContact O-OE1 3.11Å; T619-E625 VanDerWaalsContact OG1-CG 3.25Å; T619-E625 WeakPolarHBondContact OG1-CG 3.45Å; T619-E625 PolarHBondContact OG1-OE1 3.29Å | ||
| 620 | R | 54.9 | Low | 78.9 | Confident | 242 Ų | 242 | 85 Ų | 85 | 91% | 0.913 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -70.1 | -15.4 | 176.8 | -162.6 | 170.4 | 178 | 175 | -2.7 | 112.6 | ||
| 621 | D | 73.9 | Confident | 78.9 | Confident | 95 Ų | 95 | 91.1 Ų | 91.1 | 51% | 0.508 | 41% | 0.413 | S | S | . | . | trans | -107.5 | 87.5 | -165.3 | -49 | -32.4 | 0 | 0 | 0 | 111.8 | T619 E623 K624 E625 | T619-D621 PolarHBondContact O-N 2.7Å; D621-E623 PolarHBondContact O-N 2.87Å; D621-K624 HydrophobicContact CB-CB 4.01Å; D621-K624 WeakPolarHBondContact O-CA 3.26Å; D621-K624 VanDerWaalsContact O-CB 3.25Å; D621-K624 WeakPolarHBondContact O-CB 3.46Å; D621-K624 PolarHBondContact O-N 3.35Å; D621-E625 PolarHBondContact O-N 3.07Å | ||
| 622 | R | 75.6 | Confident | 79.1 | Confident | 200 Ų | 200 | 89.8 Ų | 89.8 | 76% | 0.755 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -53.6 | -24.3 | -179.2 | -65.8 | 178.4 | 177.4 | 172.8 | -1.2 | 114.9 | K626 | R622-K626 WeakPolarHBondContact O-CG 3.3Å; R622-K626 PolarHBondContact O-N 2.95Å |
| 623 | E | 81.7 | Confident | 79.3 | Confident | 143 Ų | 143 | 89.7 Ų | 89.7 | 67% | 0.668 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -76.1 | -25.1 | 175.4 | -61 | -169.2 | 159.7 | 0 | 0 | 113.6 | D621 R627 | D621-E623 PolarHBondContact O-N 2.87Å; E623-R627 WeakPolarHBondContact O-CG 3.25Å; E623-R627 PolarHBondContact O-N 3.06Å; E623-R627 PolarHBondContact O-NE 3.42Å |
| 624 | K | 81.7 | Confident | 79.7 | Confident | 86 Ų | 86 | 89.2 Ų | 89.2 | 37% | 0.374 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -71.5 | -44.7 | 173.7 | -172.1 | 175.4 | 177.3 | -173.9 | 0 | 109.8 | D621 R627 H628 | D621-K624 HydrophobicContact CB-CB 4.01Å; D621-K624 WeakPolarHBondContact O-CA 3.26Å; D621-K624 VanDerWaalsContact O-CB 3.25Å; D621-K624 WeakPolarHBondContact O-CB 3.46Å; D621-K624 PolarHBondContact O-N 3.35Å; K624-R627 PolarHBondContact O-N 3.41Å; K624-H628 WeakPolarHBondContact CE-NE2 3.48Å; K624-H628 VanDerWaalsContact CG-NE2 3.31Å; K624-H628 WeakPolarHBondContact CG-NE2 3.42Å; K624-H628 PolarHBondContact O-CD2 2.92Å; K624-H628 PolarHBondContact O-N 3.06Å |
| 625 | E | 81.4 | Confident | 80.2 | Confident | 49 Ų | 49 | 88.8 Ų | 88.8 | 23% | 0.229 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -57.1 | -49.2 | 173.6 | -66.1 | 164.4 | -175.4 | 0 | 0 | 112.1 | L615 T619 D621 R627 H628 Q629 | L615-E625 WeakPolarHBondContact CD2-O 3.48Å; T619-E625 VanDerWaalsContact O-OE1 3.11Å; T619-E625 VanDerWaalsContact OG1-CG 3.25Å; T619-E625 WeakPolarHBondContact OG1-CG 3.45Å; T619-E625 PolarHBondContact OG1-OE1 3.29Å; D621-E625 PolarHBondContact O-N 3.07Å; E625-R627 PolarHBondContact O-N 3.06Å; E625-H628 PolarHBondContact O-N 3.37Å; E625-H628 VanDerWaalsContact O-N 3.13Å; E625-Q629 WeakPolarHBondContact O-CG 3.48Å; E625-Q629 PolarHBondContact O-N 3.48Å |
| 626 | K | 84.6 | Confident | 81 | Confident | 130 Ų | 130 | 88 Ų | 88 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -55 | -48.3 | 174.3 | -74.5 | 178.2 | 178.5 | -177.2 | 0 | 112.3 | R622 H628 Q629 D630 | R622-K626 WeakPolarHBondContact O-CG 3.3Å; R622-K626 PolarHBondContact O-N 2.95Å; K626-H628 VanDerWaalsContact C-N 3.29Å; K626-H628 PolarHBondContact O-N 2.67Å; K626-Q629 WeakPolarHBondContact O-CB 3.45Å; K626-Q629 PolarHBondContact O-N 2.92Å; K626-D630 PolarHBondContact O-N 2.66Å |
| 627 | R | 86.8 | Confident | 82.1 | Confident | 144 Ų | 144 | 87.3 Ų | 87.3 | 54% | 0.543 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62 | -33.4 | 177.7 | -74.9 | 175.9 | -70.6 | 168.8 | -4.1 | 112.9 | E623 K624 E625 R631 | E623-R627 WeakPolarHBondContact O-CG 3.25Å; E623-R627 PolarHBondContact O-N 3.06Å; E623-R627 PolarHBondContact O-NE 3.42Å; K624-R627 PolarHBondContact O-N 3.41Å; E625-R627 PolarHBondContact O-N 3.06Å; R627-R631 WeakPolarHBondContact O-CB 3.27Å; R627-R631 WeakPolarHBondContact O-CD 3.31Å; R627-R631 WeakPolarHBondContact O-CG 3.48Å; R627-R631 PolarHBondContact O-N 3.07Å; R627-R631 VanDerWaalsContact O-N 3.15Å |
| 628 | H | 87.6 | Confident | 83.2 | Confident | 28 Ų | 28 | 86.8 Ų | 86.8 | 13% | 0.13 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -73.8 | -40.4 | 174.2 | -64.7 | -41.5 | 0 | 0 | 0 | 112.1 | W611 L615 K624 E625 K626 D630 R631 A632 | W611-H628 HydrophobicContact CE3-CB 4.41Å; W611-H628 AromaticContact CE3-CE1 3.91Å; W611-H628 AromaticContact CE3-ND1 3.26Å; W611-H628 VanDerWaalsContact CE3-ND1 3.26Å; W611-H628 AromaticContact CZ3-CE1 3.38Å; W611-H628 WeakPolarHBondContact CZ3-CE1 3.5Å; W611-H628 AromaticContact CZ3-ND1 3.18Å; W611-H628 WeakPolarHBondContact CZ3-ND1 3.37Å; L615-H628 HydrophobicContact CD2-CB 3.61Å; K624-H628 WeakPolarHBondContact CE-NE2 3.48Å; K624-H628 VanDerWaalsContact CG-NE2 3.31Å; K624-H628 WeakPolarHBondContact CG-NE2 3.42Å; K624-H628 PolarHBondContact O-CD2 2.92Å; K624-H628 PolarHBondContact O-N 3.06Å; E625-H628 PolarHBondContact O-N 3.37Å; E625-H628 VanDerWaalsContact O-N 3.13Å; K626-H628 VanDerWaalsContact C-N 3.29Å; K626-H628 PolarHBondContact O-N 2.67Å; H628-D630 PolarHBondContact O-N 2.84Å; H628-R631 PolarHBondContact O-N 3.3Å; H628-A632 PolarHBondContact O-N 3.31Å |
| 629 | Q | 88.2 | Confident | 84.8 | Confident | 22 Ų | 22 | 81 Ų | 81 | 10% | 0.103 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.7 | -46.6 | 172.1 | -71.3 | 172.5 | 1.8 | 0 | 0 | 111.9 | L615 E625 K626 A632 L633 V656 | L615-Q629 HydrophobicContact CD1-CG 3.61Å; L615-Q629 HydrophobicContact CD2-CG 3.81Å; L615-Q629 HydrophobicContact CG-CG 4.38Å; E625-Q629 WeakPolarHBondContact O-CG 3.48Å; E625-Q629 PolarHBondContact O-N 3.48Å; K626-Q629 WeakPolarHBondContact O-CB 3.45Å; K626-Q629 PolarHBondContact O-N 2.92Å; Q629-A632 PolarHBondContact O-N 3.05Å; Q629-L633 VanDerWaalsContact O-CB 3.26Å; Q629-L633 WeakPolarHBondContact O-CB 3.09Å; Q629-L633 PolarHBondContact O-N 3.39Å; Q629-V656 HydrophobicContact CB-CG1 4.05Å; Q629-V656 HydrophobicContact CG-CG1 4.45Å |
| 630 | D | 89.9 | Confident | 86.2 | Confident | 78 Ų | 78 | 81.8 Ų | 81.8 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71.4 | -31.8 | -177.3 | -68.1 | -35.6 | 0 | 0 | 0 | 112.4 | K626 H628 A634 K660 | K626-D630 PolarHBondContact O-N 2.66Å; H628-D630 PolarHBondContact O-N 2.84Å; D630-A634 WeakPolarHBondContact O-CB 3.49Å; D630-A634 PolarHBondContact O-N 3.45Å; D630-K660 IonicContact OD1-NZ 2.67Å; D630-K660 PolarHBondContact OD1-NZ 2.93Å |
| 631 | R | 90.2 | Very high | 88 | Confident | 129 Ų | 129 | 80.6 Ų | 80.6 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65 | -49.8 | 169.5 | -77 | 171.6 | -179.1 | -164.8 | -1.3 | 112.3 | W611 R627 H628 L633 A634 I635 | W611-R631 VanDerWaalsContact CH2-NH1 3.31Å; R627-R631 WeakPolarHBondContact O-CB 3.27Å; R627-R631 WeakPolarHBondContact O-CD 3.31Å; R627-R631 WeakPolarHBondContact O-CG 3.48Å; R627-R631 PolarHBondContact O-N 3.07Å; R627-R631 VanDerWaalsContact O-N 3.15Å; H628-R631 PolarHBondContact O-N 3.3Å; R631-L633 VanDerWaalsContact C-N 3.31Å; R631-L633 PolarHBondContact O-N 3.05Å; R631-A634 PolarHBondContact O-N 2.83Å; R631-I635 WeakPolarHBondContact O-CG1 3.31Å; R631-I635 PolarHBondContact O-N 3.32Å; R631-I635 VanDerWaalsContact O-N 3.07Å |
| 632 | A | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.7 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | W611 H628 Q629 A634 I635 Y636 V656 | W611-A632 HydrophobicContact CB-CB 3.95Å; H628-A632 PolarHBondContact O-N 3.31Å; Q629-A632 PolarHBondContact O-N 3.05Å; A632-A634 VanDerWaalsContact C-N 3.35Å; A632-A634 PolarHBondContact O-N 2.83Å; A632-I635 PolarHBondContact O-N 3.47Å; A632-Y636 HydrophobicContact CB-CE2 4.09Å; A632-Y636 WeakPolarHBondContact O-CD2 3.44Å; A632-Y636 PolarHBondContact O-N 2.84Å; A632-V656 HydrophobicContact CB-CG2 4.14Å |
| 633 | L | 92.5 | Very high | 89.3 | Confident | 21 Ų | 21 | 73.7 Ų | 73.7 | 11% | 0.11 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 177.6 | -170.5 | 67.4 | 0 | 0 | 0 | 112.9 | Q629 R631 K637 I653 V656 | Q629-L633 VanDerWaalsContact O-CB 3.26Å; Q629-L633 WeakPolarHBondContact O-CB 3.09Å; Q629-L633 PolarHBondContact O-N 3.39Å; R631-L633 VanDerWaalsContact C-N 3.31Å; R631-L633 PolarHBondContact O-N 3.05Å; L633-K637 HydrophobicContact CG-CD 4.22Å; L633-K637 VanDerWaalsContact O-CB 3.28Å; L633-K637 WeakPolarHBondContact O-CB 3.37Å; L633-K637 WeakPolarHBondContact O-CG 3.46Å; L633-K637 PolarHBondContact O-N 2.81Å; L633-I653 HydrophobicContact CD1-CG1 4.16Å; L633-I653 HydrophobicContact CD1-CG2 4.2Å; L633-V656 HydrophobicContact CB-CG1 4.33Å; L633-V656 HydrophobicContact CD1-CG1 4.47Å |
| 634 | A | 92.6 | Very high | 89.7 | Confident | 58 Ų | 58 | 70.9 Ų | 70.9 | 48% | 0.479 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D630 R631 A632 K637 Q638 | D630-A634 WeakPolarHBondContact O-CB 3.49Å; D630-A634 PolarHBondContact O-N 3.45Å; R631-A634 PolarHBondContact O-N 2.83Å; A632-A634 VanDerWaalsContact C-N 3.35Å; A632-A634 PolarHBondContact O-N 2.83Å; A634-K637 PolarHBondContact O-N 3.48Å; A634-Q638 PolarHBondContact O-N 3.08Å |
| 635 | I | 92.4 | Very high | 90 | Very high | 25 Ų | 25 | 75.5 Ų | 75.5 | 13% | 0.128 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63 | -49.5 | 178 | -64.5 | 162.2 | 0 | 0 | 0 | 110.7 | M604 L607 R631 A632 K637 Q638 V639 | M604-I635 HydrophobicContact CB-CG2 4.08Å; M604-I635 WeakPolarHBondContact O-CG2 3.28Å; L607-I635 HydrophobicContact CD2-CD1 4.06Å; L607-I635 HydrophobicContact CG-CD1 3.97Å; R631-I635 WeakPolarHBondContact O-CG1 3.31Å; R631-I635 PolarHBondContact O-N 3.32Å; R631-I635 VanDerWaalsContact O-N 3.07Å; A632-I635 PolarHBondContact O-N 3.47Å; I635-K637 VanDerWaalsContact C-N 3.29Å; I635-K637 PolarHBondContact O-N 3.42Å; I635-Q638 WeakPolarHBondContact O-CB 3.17Å; I635-Q638 PolarHBondContact O-N 3.46Å; I635-V639 PolarHBondContact O-N 3.01Å |
| 636 | Y | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.2 | -34.1 | 177.7 | -59.6 | -46.7 | 0 | 0 | 0 | 112.8 | L605 G608 N609 L612 A632 Q638 V639 L640 G652 I653 V656 | L605-Y636 HydrophobicContact CD2-CD1 4.13Å; L605-Y636 HydrophobicContact CD2-CE1 4.28Å; G608-Y636 PolarHBondContact O-OH 3.42Å; N609-Y636 PolarHBondContact N-OH 2.95Å; N609-Y636 PolarHBondContact OD1-OH 3.45Å; L612-Y636 HydrophobicContact CD1-CE2 4.38Å; A632-Y636 HydrophobicContact CB-CE2 4.09Å; A632-Y636 WeakPolarHBondContact O-CD2 3.44Å; A632-Y636 PolarHBondContact O-N 2.84Å; Y636-Q638 VanDerWaalsContact C-N 3.33Å; Y636-V639 PolarHBondContact O-N 3.46Å; Y636-L640 WeakPolarHBondContact O-CB 3.47Å; Y636-L640 PolarHBondContact O-N 3.4Å; Y636-G652 VanDerWaalsContact CE2-C 3.48Å; Y636-I653 HydrophobicContact CD2-CG1 4.29Å; Y636-I653 HydrophobicContact CG-CG1 4.3Å; Y636-V656 HydrophobicContact CE2-CG2 4.2Å |
| 637 | K | 93.1 | Very high | 90.8 | Very high | 112 Ų | 112 | 69.8 Ų | 69.8 | 49% | 0.487 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.6 | -27.7 | 172.7 | -78 | 175.9 | 176.5 | -177.3 | 0 | 113.3 | L633 A634 I635 R641 | L633-K637 HydrophobicContact CG-CD 4.22Å; L633-K637 VanDerWaalsContact O-CB 3.28Å; L633-K637 WeakPolarHBondContact O-CB 3.37Å; L633-K637 WeakPolarHBondContact O-CG 3.46Å; L633-K637 PolarHBondContact O-N 2.81Å; A634-K637 PolarHBondContact O-N 3.48Å; I635-K637 VanDerWaalsContact C-N 3.29Å; I635-K637 PolarHBondContact O-N 3.42Å; K637-R641 WeakPolarHBondContact O-CD 3.39Å; K637-R641 VanDerWaalsContact O-CG 3.23Å; K637-R641 WeakPolarHBondContact O-CG 3.44Å; K637-R641 PolarHBondContact O-N 3.47Å |
| 638 | Q | 91.8 | Very high | 91 | Very high | 95 Ų | 95 | 68.8 Ų | 68.8 | 44% | 0.444 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.8 | -48.9 | 171.9 | -177.8 | 173.4 | -11.6 | 0 | 0 | 110.3 | M604 A634 I635 Y636 L640 R641 N642 | M604-Q638 HydrophobicContact SD-CG 4.17Å; A634-Q638 PolarHBondContact O-N 3.08Å; I635-Q638 WeakPolarHBondContact O-CB 3.17Å; I635-Q638 PolarHBondContact O-N 3.46Å; Y636-Q638 VanDerWaalsContact C-N 3.33Å; Q638-L640 VanDerWaalsContact C-N 3.33Å; Q638-L640 PolarHBondContact O-N 3.38Å; Q638-R641 WeakPolarHBondContact O-CB 3.33Å; Q638-R641 PolarHBondContact O-N 2.92Å; Q638-R641 VanDerWaalsContact O-N 3.09Å; Q638-N642 PolarHBondContact O-N 3.19Å; Q638-N642 PolarHBondContact O-OD1 3.01Å |
| 639 | V | 93.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.8 | -47.2 | 174.8 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | T601 M604 L605 I635 Y636 R641 N642 D643 N646 A649 | T601-V639 HydrophobicContact CG2-CG1 4Å; M604-V639 HydrophobicContact CB-CG2 3.44Å; M604-V639 VanDerWaalsContact CB-CG2 3.44Å; M604-V639 HydrophobicContact CG-CG2 4.26Å; M604-V639 HydrophobicContact SD-CG2 3.85Å; L605-V639 HydrophobicContact CD2-CG1 4.22Å; L605-V639 HydrophobicContact CG-CG1 4.31Å; L605-V639 HydrophobicContact CG-CG2 4.49Å; I635-V639 PolarHBondContact O-N 3.01Å; Y636-V639 PolarHBondContact O-N 3.46Å; V639-R641 PolarHBondContact O-N 2.84Å; V639-N642 PolarHBondContact O-N 2.95Å; V639-N642 VanDerWaalsContact O-N 3.08Å; V639-D643 PolarHBondContact O-N 3.17Å; V639-N646 HydrophobicContact CG1-CB 4.15Å; V639-A649 HydrophobicContact CB-CB 4.13Å; V639-A649 HydrophobicContact CG1-CB 3.9Å |
| 640 | L | 92.1 | Very high | 91.5 | Very high | 60 Ų | 60 | 67.3 Ų | 67.3 | 31% | 0.314 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -70.7 | -13.2 | -178.8 | -162.7 | 68.8 | 0 | 0 | 0 | 114.2 | Y636 Q638 D643 A644 A649 I653 | Y636-L640 WeakPolarHBondContact O-CB 3.47Å; Y636-L640 PolarHBondContact O-N 3.4Å; Q638-L640 VanDerWaalsContact C-N 3.33Å; Q638-L640 PolarHBondContact O-N 3.38Å; L640-D643 WeakPolarHBondContact CA-O 3.48Å; L640-A644 WeakPolarHBondContact O-CA 3.46Å; L640-A649 HydrophobicContact CB-CB 4.38Å; L640-I653 HydrophobicContact CD2-CD1 3.97Å |
| 641 | R | 92.1 | Very high | 91.6 | Very high | 216 Ų | 216 | 64.3 Ų | 64.3 | 82% | 0.815 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -82.1 | -34 | 169 | -78.5 | 167.3 | 174.6 | -171.8 | -3.3 | 112.1 | K637 Q638 V639 | K637-R641 WeakPolarHBondContact O-CD 3.39Å; K637-R641 VanDerWaalsContact O-CG 3.23Å; K637-R641 WeakPolarHBondContact O-CG 3.44Å; K637-R641 PolarHBondContact O-N 3.47Å; Q638-R641 WeakPolarHBondContact O-CB 3.33Å; Q638-R641 PolarHBondContact O-N 2.92Å; Q638-R641 VanDerWaalsContact O-N 3.09Å; V639-R641 PolarHBondContact O-N 2.84Å |
| 642 | N | 88.9 | Confident | 91.6 | Very high | 92 Ų | 92 | 58.3 Ų | 58.3 | 49% | 0.492 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -81.6 | -40.4 | -179.9 | -64.4 | 22.9 | 0 | 0 | 0 | 110.7 | S599 Q638 V639 | S599-N642 PolarHBondContact OG-ND2 2.88Å; Q638-N642 PolarHBondContact O-N 3.19Å; Q638-N642 PolarHBondContact O-OD1 3.01Å; V639-N642 PolarHBondContact O-N 2.95Å; V639-N642 VanDerWaalsContact O-N 3.08Å |
| 643 | D | 87.9 | Confident | 91.7 | Very high | 58 Ų | 58 | 59.4 Ų | 59.4 | 31% | 0.31 | 30% | 0.299 | S | S | . | . | trans | -131.1 | 102 | 170.1 | 172.1 | 26.6 | 0 | 0 | 0 | 111 | V639 L640 K645 N646 | V639-D643 PolarHBondContact O-N 3.17Å; L640-D643 WeakPolarHBondContact CA-O 3.48Å; D643-K645 PolarHBondContact O-N 2.88Å; D643-K645 WeakPolarHBondContact OD1-CA 3.34Å; D643-K645 WeakPolarHBondContact OD1-CB 3.43Å; D643-K645 PolarHBondContact OD1-N 3.3Å; D643-N646 HydrophobicContact CB-CB 4.29Å; D643-N646 WeakPolarHBondContact O-CB 3.42Å; D643-N646 PolarHBondContact O-N 3.31Å; D643-N646 WeakPolarHBondContact OD2-CA 3.41Å; D643-N646 WeakPolarHBondContact OD2-CB 3.23Å; D643-N646 PolarHBondContact OD2-N 3.42Å | ||
| 644 | A | 89.3 | Confident | 91.7 | Very high | 85 Ų | 85 | 58.4 Ų | 58.4 | 70% | 0.702 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -10.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L640 | L640-A644 WeakPolarHBondContact O-CA 3.46Š|
| 645 | K | 88 | Confident | 91.6 | Very high | 183 Ų | 183 | 56.2 Ų | 56.2 | 80% | 0.796 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 0 | 176.8 | -58.3 | 173 | -176.5 | 169.6 | 0 | 112.2 | D643 L647 | D643-K645 PolarHBondContact O-N 2.88Å; D643-K645 WeakPolarHBondContact OD1-CA 3.34Å; D643-K645 WeakPolarHBondContact OD1-CB 3.43Å; D643-K645 PolarHBondContact OD1-N 3.3Å; K645-L647 PolarHBondContact O-N 3.22Å |
| 646 | N | 91.8 | Very high | 91.6 | Very high | 13 Ų | 13 | 55 Ų | 55 | 7% | 0.07 | 27% | 0.269 | C | S | . | . | trans | -70 | 101.6 | -171 | -160.3 | -64.7 | 0 | 0 | 0 | 114 | T601 V639 D643 Y648 A649 A650 | T601-N646 WeakPolarHBondContact CG2-ND2 3.42Å; V639-N646 HydrophobicContact CG1-CB 4.15Å; D643-N646 HydrophobicContact CB-CB 4.29Å; D643-N646 WeakPolarHBondContact O-CB 3.42Å; D643-N646 PolarHBondContact O-N 3.31Å; D643-N646 WeakPolarHBondContact OD2-CA 3.41Å; D643-N646 WeakPolarHBondContact OD2-CB 3.23Å; D643-N646 PolarHBondContact OD2-N 3.42Å; N646-Y648 VanDerWaalsContact C-N 3.34Å; N646-Y648 PolarHBondContact O-N 3.17Å; N646-Y648 PolarHBondContact OD1-N 3.44Å; N646-Y648 VanDerWaalsContact OD1-N 3.15Å; N646-A649 HydrophobicContact CB-CB 4Å; N646-A649 PolarHBondContact O-N 3.22Å; N646-A649 PolarHBondContact OD1-N 3.47Å; N646-A650 PolarHBondContact O-N 3.05Å | ||
| 647 | L | 91.3 | Very high | 91.4 | Very high | 45 Ų | 45 | 56.4 Ų | 56.4 | 24% | 0.236 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59 | -40.2 | 179.7 | -59.2 | 168.3 | 0 | 0 | 0 | 113.2 | K645 A650 N651 V673 A676 T677 I680 | K645-L647 PolarHBondContact O-N 3.22Å; L647-A650 PolarHBondContact O-N 3.3Å; L647-N651 WeakPolarHBondContact O-CB 3.36Å; L647-N651 PolarHBondContact O-N 3.17Å; L647-V673 HydrophobicContact CB-CG1 4.22Å; L647-V673 HydrophobicContact CD2-CG1 4.33Å; L647-A676 HydrophobicContact CD2-CB 3.55Å; L647-T677 HydrophobicContact CD1-CG2 3.4Å; L647-I680 HydrophobicContact CD1-CD1 4.33Å |
| 648 | Y | 91.6 | Very high | 91.3 | Very high | 123 Ų | 123 | 52.2 Ų | 52.2 | 48% | 0.482 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -74 | -36 | -176 | -63.3 | -77.7 | 0 | 0 | 0 | 111.8 | L605 N646 N651 G652 I680 | L605-Y648 HydrophobicContact CD1-CG 4.49Å; N646-Y648 VanDerWaalsContact C-N 3.34Å; N646-Y648 PolarHBondContact O-N 3.17Å; N646-Y648 PolarHBondContact OD1-N 3.44Å; N646-Y648 VanDerWaalsContact OD1-N 3.15Å; Y648-N651 PolarHBondContact O-N 3.35Å; Y648-G652 PolarHBondContact O-N 2.85Å; Y648-I680 HydrophobicContact CE1-CD1 4.05Å; Y648-I680 HydrophobicContact CE1-CG2 4.45Å |
| 649 | A | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | L605 V639 L640 N646 G652 I653 | L605-A649 HydrophobicContact CD2-CB 3.99Å; V639-A649 HydrophobicContact CB-CB 4.13Å; V639-A649 HydrophobicContact CG1-CB 3.9Å; L640-A649 HydrophobicContact CB-CB 4.38Å; N646-A649 HydrophobicContact CB-CB 4Å; N646-A649 PolarHBondContact O-N 3.22Å; N646-A649 PolarHBondContact OD1-N 3.47Å; A649-G652 PolarHBondContact O-N 3.46Å; A649-I653 VanDerWaalsContact O-CG1 3.27Å; A649-I653 WeakPolarHBondContact O-CG1 3.43Å; A649-I653 PolarHBondContact O-N 2.93Å |
| 650 | A | 92.5 | Very high | 90.8 | Very high | 20 Ų | 20 | 55 Ų | 55 | 17% | 0.165 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | N646 L647 I653 G654 V669 V673 | N646-A650 PolarHBondContact O-N 3.05Å; L647-A650 PolarHBondContact O-N 3.3Å; A650-I653 PolarHBondContact O-N 3.26Å; A650-G654 PolarHBondContact O-N 2.88Å; A650-V669 HydrophobicContact CB-CG1 4.33Å; A650-V669 VanDerWaalsContact O-CG1 3.26Å; A650-V669 WeakPolarHBondContact O-CG1 3.44Å; A650-V673 HydrophobicContact CB-CG2 3.57Å |
| 651 | N | 92 | Very high | 90.6 | Very high | 14 Ų | 14 | 53.9 Ų | 53.9 | 8% | 0.075 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 173.7 | -170.4 | 28.5 | 0 | 0 | 0 | 111.5 | L647 Y648 G654 A655 F670 D682 N686 | L647-N651 WeakPolarHBondContact O-CB 3.36Å; L647-N651 PolarHBondContact O-N 3.17Å; Y648-N651 PolarHBondContact O-N 3.35Å; N651-G654 PolarHBondContact O-N 3.13Å; N651-A655 PolarHBondContact O-N 3.3Å; N651-F670 WeakPolarHBondContact O-CE1 3.45Å; N651-F670 VanDerWaalsContact OD1-CE1 3.3Å; N651-F670 WeakPolarHBondContact OD1-CE1 3.36Å; N651-D682 PolarHBondContact ND2-OD2 2.93Å; N651-N686 PolarHBondContact OD1-ND2 3.36Å |
| 652 | G | 91.8 | Very high | 90.7 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y636 Y648 A649 A655 V656 | Y636-G652 VanDerWaalsContact CE2-C 3.48Å; Y648-G652 PolarHBondContact O-N 2.85Å; A649-G652 PolarHBondContact O-N 3.46Å; G652-A655 PolarHBondContact O-N 3.47Å; G652-V656 WeakPolarHBondContact O-CG2 3.2Å; G652-V656 PolarHBondContact O-N 3.43Å |
| 653 | I | 92.4 | Very high | 90.8 | Very high | 23 Ų | 23 | 48.9 Ų | 48.9 | 12% | 0.118 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 174.1 | -69.5 | 163.2 | 0 | 0 | 0 | 110.8 | L633 Y636 L640 A649 A650 A655 V656 L657 | L633-I653 HydrophobicContact CD1-CG1 4.16Å; L633-I653 HydrophobicContact CD1-CG2 4.2Å; Y636-I653 HydrophobicContact CD2-CG1 4.29Å; Y636-I653 HydrophobicContact CG-CG1 4.3Å; L640-I653 HydrophobicContact CD2-CD1 3.97Å; A649-I653 VanDerWaalsContact O-CG1 3.27Å; A649-I653 WeakPolarHBondContact O-CG1 3.43Å; A649-I653 PolarHBondContact O-N 2.93Å; A650-I653 PolarHBondContact O-N 3.26Å; I653-A655 VanDerWaalsContact C-N 3.27Å; I653-A655 PolarHBondContact O-N 2.72Å; I653-V656 PolarHBondContact O-N 2.91Å; I653-L657 HydrophobicContact CG2-CD1 3.94Å; I653-L657 HydrophobicContact CG2-CG 4.33Å; I653-L657 WeakPolarHBondContact O-CG 3.29Å; I653-L657 PolarHBondContact O-N 2.66Å |
| 654 | G | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.1 | -40.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A650 N651 L657 A658 A666 | A650-G654 PolarHBondContact O-N 2.88Å; N651-G654 PolarHBondContact O-N 3.13Å; G654-L657 PolarHBondContact O-N 2.98Å; G654-A658 WeakPolarHBondContact O-CB 3.34Å; G654-A658 PolarHBondContact O-N 2.69Å; G654-A666 WeakPolarHBondContact O-CB 3.49Å |
| 655 | A | 91.8 | Very high | 91.2 | Very high | 12 Ų | 12 | 56.5 Ų | 56.5 | 10% | 0.099 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.6 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L612 N651 G652 I653 A658 H659 F670 | L612-A655 HydrophobicContact CD1-CB 3.77Å; N651-A655 PolarHBondContact O-N 3.3Å; G652-A655 PolarHBondContact O-N 3.47Å; I653-A655 VanDerWaalsContact C-N 3.27Å; I653-A655 PolarHBondContact O-N 2.72Å; A655-A658 WeakPolarHBondContact O-CB 3.47Å; A655-A658 PolarHBondContact O-N 2.78Å; A655-H659 PolarHBondContact O-CD2 2.85Å; A655-H659 VanDerWaalsContact O-CD2 3.25Å; A655-H659 PolarHBondContact O-N 3.44Å; A655-F670 HydrophobicContact CB-CZ 4.23Å; A655-F670 VanDerWaalsContact N-CZ 3.3Å |
| 656 | V | 91.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65 | -38.9 | 173.1 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | L612 Q629 A632 L633 Y636 G652 I653 A658 H659 K660 | L612-V656 HydrophobicContact CD1-CG2 4.2Å; Q629-V656 HydrophobicContact CB-CG1 4.05Å; Q629-V656 HydrophobicContact CG-CG1 4.45Å; A632-V656 HydrophobicContact CB-CG2 4.14Å; L633-V656 HydrophobicContact CB-CG1 4.33Å; L633-V656 HydrophobicContact CD1-CG1 4.47Å; Y636-V656 HydrophobicContact CE2-CG2 4.2Å; G652-V656 WeakPolarHBondContact O-CG2 3.2Å; G652-V656 PolarHBondContact O-N 3.43Å; I653-V656 PolarHBondContact O-N 2.91Å; V656-A658 VanDerWaalsContact C-N 3.35Å; V656-H659 PolarHBondContact O-N 3.45Å; V656-K660 PolarHBondContact O-N 3.5Å |
| 657 | L | 91.5 | Very high | 91.5 | Very high | 29 Ų | 29 | 50.9 Ų | 50.9 | 15% | 0.152 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.9 | -40 | 173.5 | -72.4 | 172.8 | 0 | 0 | 0 | 111.8 | I653 G654 K660 G661 Y662 E665 A666 V669 | I653-L657 HydrophobicContact CG2-CD1 3.94Å; I653-L657 HydrophobicContact CG2-CG 4.33Å; I653-L657 WeakPolarHBondContact O-CG 3.29Å; I653-L657 PolarHBondContact O-N 2.66Å; G654-L657 PolarHBondContact O-N 2.98Å; L657-K660 CarbonylContact O-C 3.56Å; L657-K660 PolarHBondContact O-N 3.06Å; L657-G661 PolarHBondContact O-N 3.2Å; L657-G661 VanDerWaalsContact O-N 3.12Å; L657-Y662 HydrophobicContact CD2-CD2 4.03Å; L657-Y662 PolarHBondContact O-N 3.03Å; L657-E665 HydrophobicContact CD1-CB 4.36Å; L657-A666 HydrophobicContact CB-CB 4.05Å; L657-V669 HydrophobicContact CD1-CG2 4.4Å |
| 658 | A | 91.2 | Very high | 91.5 | Very high | 23 Ų | 23 | 51.8 Ų | 51.8 | 19% | 0.19 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -43.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G654 A655 V656 K660 G661 F663 A666 I690 | G654-A658 WeakPolarHBondContact O-CB 3.34Å; G654-A658 PolarHBondContact O-N 2.69Å; A655-A658 WeakPolarHBondContact O-CB 3.47Å; A655-A658 PolarHBondContact O-N 2.78Å; V656-A658 VanDerWaalsContact C-N 3.35Å; A658-K660 VanDerWaalsContact C-N 3.25Å; A658-K660 PolarHBondContact O-N 3.39Å; A658-G661 PolarHBondContact O-N 3.04Å; A658-F663 WeakPolarHBondContact O-CE1 3.11Å; A658-A666 HydrophobicContact CB-CB 4.2Å; A658-I690 HydrophobicContact CB-CD1 3.82Å |
| 659 | H | 87.3 | Confident | 91.5 | Very high | 82 Ų | 82 | 47.4 Ų | 47.4 | 38% | 0.38 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65 | -25 | 173.9 | -82.9 | -72.2 | 0 | 0 | 0 | 113.8 | H616 A655 V656 G661 | H616-H659 AromaticContact CD2-CE1 3.49Å; H616-H659 PolarHBondContact CD2-CE1 3.03Å; H616-H659 VanDerWaalsContact CD2-CE1 3.49Å; H616-H659 AromaticContact CD2-NE2 3.59Å; H616-H659 AromaticContact NE2-CE1 3.32Å; H616-H659 PolarHBondContact NE2-CE1 3.19Å; H616-H659 VanDerWaalsContact NE2-CE1 3.32Å; H616-H659 AromaticContact NE2-NE2 3.03Å; H616-H659 PolarHBondContact NE2-NE2 2.82Å; A655-H659 PolarHBondContact O-CD2 2.85Å; A655-H659 VanDerWaalsContact O-CD2 3.25Å; A655-H659 PolarHBondContact O-N 3.44Å; V656-H659 PolarHBondContact O-N 3.45Å; H659-G661 VanDerWaalsContact C-N 3.35Å |
| 660 | K | 87.3 | Confident | 91.5 | Very high | 72 Ų | 72 | 47.5 Ų | 47.5 | 31% | 0.313 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -4.5 | 170.3 | -70.6 | -173.8 | 178.2 | -168.7 | 0 | 114 | D630 V656 L657 A658 Y662 | D630-K660 IonicContact OD1-NZ 2.67Å; D630-K660 PolarHBondContact OD1-NZ 2.93Å; V656-K660 PolarHBondContact O-N 3.5Å; L657-K660 CarbonylContact O-C 3.56Å; L657-K660 PolarHBondContact O-N 3.06Å; A658-K660 VanDerWaalsContact C-N 3.25Å; A658-K660 PolarHBondContact O-N 3.39Å; K660-Y662 HydrophobicContact CB-CD2 3.55Å; K660-Y662 HydrophobicContact CB-CE2 3.61Å; K660-Y662 HydrophobicContact CD-CE2 4.28Å |
| 661 | G | 87.5 | Confident | 91.3 | Very high | 37 Ų | 37 | 47.5 Ų | 47.5 | 38% | 0.381 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | 4.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L657 A658 H659 F663 | L657-G661 PolarHBondContact O-N 3.2Å; L657-G661 VanDerWaalsContact O-N 3.12Å; A658-G661 PolarHBondContact O-N 3.04Å; H659-G661 VanDerWaalsContact C-N 3.35Å; G661-F663 WeakPolarHBondContact O-CD2 3.23Å; G661-F663 PolarHBondContact O-N 2.99Å |
| 662 | Y | 93.4 | Very high | 91.2 | Very high | 122 Ų | 122 | 53.1 Ų | 53.1 | 48% | 0.478 | 26% | 0.255 | S | S | . | . | trans | -79.8 | 56.7 | -179.3 | -59.9 | -68.5 | 0 | 0 | 0 | 111.9 | L657 K660 R664 E665 A666 | L657-Y662 HydrophobicContact CD2-CD2 4.03Å; L657-Y662 PolarHBondContact O-N 3.03Å; K660-Y662 HydrophobicContact CB-CD2 3.55Å; K660-Y662 HydrophobicContact CB-CE2 3.61Å; K660-Y662 HydrophobicContact CD-CE2 4.28Å; Y662-R664 PolarHBondContact O-N 3.05Å; Y662-E665 PolarHBondContact O-N 3.03Å; Y662-A666 WeakPolarHBondContact O-CB 3.38Å; Y662-A666 PolarHBondContact O-N 3.29Å | ||
| 663 | F | 92.9 | Very high | 91.2 | Very high | 81 Ų | 81 | 53.1 Ų | 53.1 | 36% | 0.355 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.6 | -14.4 | -170.3 | -54.2 | -55.8 | 0 | 0 | 0 | 115.4 | A658 G661 R667 I690 Q694 | A658-F663 WeakPolarHBondContact O-CE1 3.11Å; G661-F663 WeakPolarHBondContact O-CD2 3.23Å; G661-F663 PolarHBondContact O-N 2.99Å; F663-R667 WeakPolarHBondContact O-CB 3.17Å; F663-I690 HydrophobicContact CB-CD1 4.34Å; F663-I690 HydrophobicContact CB-CG2 4.49Å; F663-I690 HydrophobicContact CD1-CD1 3.76Å; F663-I690 WeakPolarHBondContact O-CG2 3.5Å; F663-Q694 PolarHBondContact O-NE2 3.18Å |
| 664 | R | 91.1 | Very high | 91.1 | Very high | 198 Ų | 198 | 55.1 Ų | 55.1 | 75% | 0.747 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -80.4 | -58.7 | 173.2 | -68.3 | -176.1 | -179.4 | 179.5 | 1 | 110.2 | Y662 A666 R667 D668 | Y662-R664 PolarHBondContact O-N 3.05Å; R664-A666 VanDerWaalsContact C-N 3.3Å; R664-A666 PolarHBondContact O-N 2.95Å; R664-R667 VanDerWaalsContact O-CB 3.28Å; R664-R667 WeakPolarHBondContact O-CB 3.27Å; R664-R667 PolarHBondContact O-N 3.35Å; R664-D668 VanDerWaalsContact O-CG 3.29Å; R664-D668 PolarHBondContact O-N 3.25Å; R664-D668 VanDerWaalsContact O-N 3.12Å |
| 665 | E | 92.7 | Very high | 90.9 | Very high | 105 Ų | 105 | 61.6 Ų | 61.6 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55 | -44.8 | 176.4 | -65.9 | 154.1 | -132.3 | 0 | 0 | 111.8 | L657 Y662 R667 D668 V669 | L657-E665 HydrophobicContact CD1-CB 4.36Å; Y662-E665 PolarHBondContact O-N 3.03Å; E665-R667 VanDerWaalsContact C-N 3.35Å; E665-R667 PolarHBondContact O-N 2.86Å; E665-D668 PolarHBondContact O-N 3.41Å; E665-D668 VanDerWaalsContact O-N 3.13Å; E665-V669 WeakPolarHBondContact O-CG2 3.12Å; E665-V669 PolarHBondContact O-N 3.06Å |
| 666 | A | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.5 | -43.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G654 L657 A658 Y662 R664 D668 F670 I690 | G654-A666 WeakPolarHBondContact O-CB 3.49Å; L657-A666 HydrophobicContact CB-CB 4.05Å; A658-A666 HydrophobicContact CB-CB 4.2Å; Y662-A666 WeakPolarHBondContact O-CB 3.38Å; Y662-A666 PolarHBondContact O-N 3.29Å; R664-A666 VanDerWaalsContact C-N 3.3Å; R664-A666 PolarHBondContact O-N 2.95Å; A666-D668 VanDerWaalsContact C-N 3.29Å; A666-D668 PolarHBondContact O-N 3.33Å; A666-F670 HydrophobicContact CB-CE2 4.21Å; A666-F670 WeakPolarHBondContact O-CD2 3.46Å; A666-F670 VanDerWaalsContact O-CG 3.31Å; A666-F670 WeakPolarHBondContact O-CG 3.22Å; A666-F670 PolarHBondContact O-N 3.04Å; A666-I690 HydrophobicContact CB-CD1 4.07Å |
| 667 | R | 92.8 | Very high | 90.2 | Very high | 78 Ų | 78 | 66.1 Ų | 66.1 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 175.5 | -174.1 | -163.8 | 62.5 | -169.1 | -3.8 | 111.1 | F663 R664 E665 F670 A671 L687 I690 | F663-R667 WeakPolarHBondContact O-CB 3.17Å; R664-R667 VanDerWaalsContact O-CB 3.28Å; R664-R667 WeakPolarHBondContact O-CB 3.27Å; R664-R667 PolarHBondContact O-N 3.35Å; E665-R667 VanDerWaalsContact C-N 3.35Å; E665-R667 PolarHBondContact O-N 2.86Å; R667-F670 PolarHBondContact O-N 3.42Å; R667-A671 WeakPolarHBondContact O-CB 3.17Å; R667-A671 PolarHBondContact O-N 3.23Å; R667-L687 HydrophobicContact CG-CD2 4.21Å; R667-I690 HydrophobicContact CB-CG2 3.94Å; R667-I690 HydrophobicContact CG-CG2 4.37Å |
| 668 | D | 91.3 | Very high | 89.6 | Confident | 65 Ų | 65 | 66.7 Ų | 66.7 | 35% | 0.348 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -75.8 | -34.7 | -171.6 | -59.4 | -20.7 | 0 | 0 | 0 | 110.8 | R664 E665 A666 A671 Q672 | R664-D668 VanDerWaalsContact O-CG 3.29Å; R664-D668 PolarHBondContact O-N 3.25Å; R664-D668 VanDerWaalsContact O-N 3.12Å; E665-D668 PolarHBondContact O-N 3.41Å; E665-D668 VanDerWaalsContact O-N 3.13Å; A666-D668 VanDerWaalsContact C-N 3.29Å; A666-D668 PolarHBondContact O-N 3.33Å; D668-A671 PolarHBondContact O-N 3.26Å; D668-Q672 WeakPolarHBondContact O-CG 3.46Å; D668-Q672 PolarHBondContact O-N 2.83Å |
| 669 | V | 92.6 | Very high | 89.1 | Confident | 30 Ų | 30 | 70.8 Ų | 70.8 | 18% | 0.182 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.7 | -50.7 | 166.4 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | A650 L657 E665 A671 Q672 V673 | A650-V669 HydrophobicContact CB-CG1 4.33Å; A650-V669 VanDerWaalsContact O-CG1 3.26Å; A650-V669 WeakPolarHBondContact O-CG1 3.44Å; L657-V669 HydrophobicContact CD1-CG2 4.4Å; E665-V669 WeakPolarHBondContact O-CG2 3.12Å; E665-V669 PolarHBondContact O-N 3.06Å; V669-A671 PolarHBondContact O-N 3.43Å; V669-Q672 WeakPolarHBondContact O-CB 3.47Å; V669-Q672 PolarHBondContact O-N 3.45Å; V669-V673 PolarHBondContact O-N 3.09Å; V669-V673 VanDerWaalsContact O-N 3.16Å |
| 670 | F | 92.3 | Very high | 89 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.009 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.7 | -28 | 178.8 | -65.8 | -53.2 | 0 | 0 | 0 | 113.1 | N651 A655 A666 R667 V673 R674 N686 L687 I690 | N651-F670 WeakPolarHBondContact O-CE1 3.45Å; N651-F670 VanDerWaalsContact OD1-CE1 3.3Å; N651-F670 WeakPolarHBondContact OD1-CE1 3.36Å; A655-F670 HydrophobicContact CB-CZ 4.23Å; A655-F670 VanDerWaalsContact N-CZ 3.3Å; A666-F670 HydrophobicContact CB-CE2 4.21Å; A666-F670 WeakPolarHBondContact O-CD2 3.46Å; A666-F670 VanDerWaalsContact O-CG 3.31Å; A666-F670 WeakPolarHBondContact O-CG 3.22Å; A666-F670 PolarHBondContact O-N 3.04Å; R667-F670 PolarHBondContact O-N 3.42Å; F670-V673 PolarHBondContact O-N 3.28Å; F670-R674 WeakPolarHBondContact O-CB 3.09Å; F670-R674 PolarHBondContact O-N 2.96Å; F670-N686 HydrophobicContact CD1-CB 4.07Å; F670-N686 HydrophobicContact CD2-CB 4.21Å; F670-N686 HydrophobicContact CE1-CB 3.68Å; F670-N686 HydrophobicContact CE2-CB 3.85Å; F670-N686 HydrophobicContact CG-CB 4.33Å; F670-N686 HydrophobicContact CZ-CB 3.55Å; F670-L687 HydrophobicContact CB-CD1 4.32Å; F670-L687 HydrophobicContact CB-CD2 3.59Å; F670-L687 HydrophobicContact CB-CG 3.67Å; F670-I690 HydrophobicContact CD2-CG1 4.2Å; F670-I690 HydrophobicContact CE2-CG1 4.08Å |
| 671 | A | 88.5 | Confident | 89.1 | Confident | 20 Ų | 20 | 65.9 Ų | 65.9 | 17% | 0.165 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.2 | -46 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | R667 D668 V669 V673 R674 E675 | R667-A671 WeakPolarHBondContact O-CB 3.17Å; R667-A671 PolarHBondContact O-N 3.23Å; D668-A671 PolarHBondContact O-N 3.26Å; V669-A671 PolarHBondContact O-N 3.43Å; A671-V673 PolarHBondContact O-N 3.44Å; A671-R674 PolarHBondContact O-N 2.89Å; A671-E675 WeakPolarHBondContact O-CB 3.41Å; A671-E675 WeakPolarHBondContact O-CG 3.32Å; A671-E675 PolarHBondContact O-N 3.31Å |
| 672 | Q | 89.9 | Confident | 89 | Confident | 132 Ų | 132 | 66.7 Ų | 66.7 | 62% | 0.617 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.9 | -46 | 174.8 | -66.4 | 167.3 | 5.9 | 0 | 0 | 111.7 | D668 V669 R674 E675 A676 | D668-Q672 WeakPolarHBondContact O-CG 3.46Å; D668-Q672 PolarHBondContact O-N 2.83Å; V669-Q672 WeakPolarHBondContact O-CB 3.47Å; V669-Q672 PolarHBondContact O-N 3.45Å; Q672-R674 VanDerWaalsContact C-N 3.34Å; Q672-R674 PolarHBondContact O-N 3.27Å; Q672-E675 PolarHBondContact O-N 3.43Å; Q672-A676 PolarHBondContact O-N 2.95Å |
| 673 | V | 91.8 | Very high | 88.9 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 177.6 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | L647 A650 V669 F670 A671 T677 V683 | L647-V673 HydrophobicContact CB-CG1 4.22Å; L647-V673 HydrophobicContact CD2-CG1 4.33Å; A650-V673 HydrophobicContact CB-CG2 3.57Å; V669-V673 PolarHBondContact O-N 3.09Å; V669-V673 VanDerWaalsContact O-N 3.16Å; F670-V673 PolarHBondContact O-N 3.28Å; A671-V673 PolarHBondContact O-N 3.44Å; V673-T677 PolarHBondContact O-N 3.4Å; V673-T677 PolarHBondContact O-OG1 3.32Å; V673-T677 VanDerWaalsContact O-OG1 3.05Å; V673-V683 HydrophobicContact CB-CG1 4.44Å; V673-V683 HydrophobicContact CG1-CG1 4.37Å; V673-V683 HydrophobicContact CG1-CG2 3.68Å |
| 674 | R | 89.5 | Confident | 88.8 | Confident | 64 Ų | 64 | 58.5 Ų | 58.5 | 24% | 0.242 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.2 | -34.9 | 176.4 | -172.9 | -158.8 | 59.5 | -170.4 | -7 | 112.7 | F670 A671 Q672 T677 A678 V683 L687 | F670-R674 WeakPolarHBondContact O-CB 3.09Å; F670-R674 PolarHBondContact O-N 2.96Å; A671-R674 PolarHBondContact O-N 2.89Å; Q672-R674 VanDerWaalsContact C-N 3.34Å; Q672-R674 PolarHBondContact O-N 3.27Å; R674-T677 CarbonylContact C-O 3.57Å; R674-T677 WeakPolarHBondContact CA-O 3.43Å; R674-T677 CarbonylContact O-C 3.57Å; R674-T677 PolarHBondContact O-N 2.85Å; R674-A678 PolarHBondContact O-N 3.06Å; R674-V683 HydrophobicContact CB-CG1 3.79Å; R674-L687 HydrophobicContact CB-CD1 4.05Å; R674-L687 HydrophobicContact CG-CD1 4.26Å |
| 675 | E | 88.1 | Confident | 88.8 | Confident | 137 Ų | 137 | 50.1 Ų | 50.1 | 64% | 0.64 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -73.7 | -33.7 | 178.4 | -80.4 | 154 | -149.1 | 0 | 0 | 111.9 | A671 Q672 | A671-E675 WeakPolarHBondContact O-CB 3.41Å; A671-E675 WeakPolarHBondContact O-CG 3.32Å; A671-E675 PolarHBondContact O-N 3.31Å; Q672-E675 PolarHBondContact O-N 3.43Å |
| 676 | A | 88.1 | Confident | 88.8 | Confident | 69 Ų | 69 | 46.9 Ų | 46.9 | 57% | 0.57 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -72.4 | -37.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L647 Q672 | L647-A676 HydrophobicContact CD2-CB 3.55Å; Q672-A676 PolarHBondContact O-N 2.95Å |
| 677 | T | 81.6 | Confident | 88.6 | Confident | 38 Ų | 38 | 46.9 Ų | 46.9 | 23% | 0.233 | 25% | 0.252 | C | S | . | . | trans | -142.6 | 115.6 | 178.5 | 49.6 | 0 | 0 | 0 | 0 | 113.5 | L647 V673 R674 D679 I680 | L647-T677 HydrophobicContact CD1-CG2 3.4Å; V673-T677 PolarHBondContact O-N 3.4Å; V673-T677 PolarHBondContact O-OG1 3.32Å; V673-T677 VanDerWaalsContact O-OG1 3.05Å; R674-T677 CarbonylContact C-O 3.57Å; R674-T677 WeakPolarHBondContact CA-O 3.43Å; R674-T677 CarbonylContact O-C 3.57Å; R674-T677 PolarHBondContact O-N 2.85Å; T677-D679 VanDerWaalsContact C-N 3.29Å; T677-D679 PolarHBondContact O-N 3.35Å; T677-I680 WeakPolarHBondContact OG1-CD1 3.24Å | ||
| 678 | A | 78.5 | Confident | 88.6 | Confident | 40 Ų | 40 | 43.2 Ų | 43.2 | 33% | 0.331 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -0.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R674 W684 K710 | R674-A678 PolarHBondContact O-N 3.06Å; A678-W684 PolarHBondContact O-NE1 2.89Å; A678-K710 PolarHBondContact O-NZ 2.95Å |
| 679 | D | 80.2 | Confident | 88.7 | Confident | 110 Ų | 110 | 43.1 Ų | 43.1 | 59% | 0.588 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.2 | 11.2 | -162.1 | -59.6 | -54.2 | 0 | 0 | 0 | 114.6 | T677 K710 F711 | T677-D679 VanDerWaalsContact C-N 3.29Å; T677-D679 PolarHBondContact O-N 3.35Å; D679-K710 IonicContact OD1-NZ 2.61Å; D679-K710 PolarHBondContact OD1-NZ 3.08Å; D679-F711 VanDerWaalsContact C-CE1 3.47Å; D679-F711 HydrophobicContact CB-CE1 4.33Å; D679-F711 WeakPolarHBondContact O-CE1 3.49Å |
| 680 | I | 85.3 | Confident | 88.7 | Confident | 20 Ų | 20 | 42 Ų | 42 | 10% | 0.103 | 23% | 0.228 | C | C | . | . | trans | -98.1 | 114.2 | 171.3 | -60.5 | 179.7 | 0 | 0 | 0 | 109 | L647 Y648 T677 D682 V683 | L647-I680 HydrophobicContact CD1-CD1 4.33Å; Y648-I680 HydrophobicContact CE1-CD1 4.05Å; Y648-I680 HydrophobicContact CE1-CG2 4.45Å; T677-I680 WeakPolarHBondContact OG1-CD1 3.24Å; I680-D682 WeakPolarHBondContact CG2-OD1 3.4Å; I680-D682 WeakPolarHBondContact CG2-OD2 3.22Å; I680-D682 PolarHBondContact O-N 2.86Å; I680-V683 HydrophobicContact CB-CG2 3.99Å; I680-V683 HydrophobicContact CG2-CG2 3.81Å; I680-V683 PolarHBondContact O-N 3.43Å | ||
| 681 | S | 88.3 | Confident | 88.8 | Confident | 30 Ų | 30 | 43.6 Ų | 43.6 | 21% | 0.21 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63 | -36.9 | -167.7 | 71.3 | 0 | 0 | 0 | 0 | 114.7 | W684 L685 C707 F711 | S681-W684 WeakPolarHBondContact O-CB 3.44Å; S681-W684 PolarHBondContact O-N 3.45Å; S681-L685 PolarHBondContact O-N 2.88Å; S681-C707 PolarHBondContact O-SG 3.06Å; S681-F711 VanDerWaalsContact CB-CD2 3.49Å |
| 682 | D | 87.4 | Confident | 89 | Confident | 55 Ų | 55 | 43 Ų | 43 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -71.5 | -27.4 | -177 | 42.3 | -73.2 | 0 | 0 | 0 | 112.7 | N651 I680 W684 L685 N686 | N651-D682 PolarHBondContact ND2-OD2 2.93Å; I680-D682 WeakPolarHBondContact CG2-OD1 3.4Å; I680-D682 WeakPolarHBondContact CG2-OD2 3.22Å; I680-D682 PolarHBondContact O-N 2.86Å; D682-W684 VanDerWaalsContact C-N 3.33Å; D682-W684 PolarHBondContact O-N 3.02Å; D682-L685 PolarHBondContact O-N 3.44Å; D682-N686 VanDerWaalsContact O-CB 3.28Å; D682-N686 WeakPolarHBondContact O-CB 3.18Å; D682-N686 PolarHBondContact O-N 3.41Å; D682-N686 PolarHBondContact O-ND2 3.48Å |
| 683 | V | 89.4 | Confident | 89 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.8 | -38.2 | 171.4 | -178.3 | 0 | 0 | 0 | 0 | 111 | V673 R674 I680 L687 | V673-V683 HydrophobicContact CB-CG1 4.44Å; V673-V683 HydrophobicContact CG1-CG1 4.37Å; V673-V683 HydrophobicContact CG1-CG2 3.68Å; R674-V683 HydrophobicContact CB-CG1 3.79Å; I680-V683 HydrophobicContact CB-CG2 3.99Å; I680-V683 HydrophobicContact CG2-CG2 3.81Å; I680-V683 PolarHBondContact O-N 3.43Å; V683-L687 HydrophobicContact CG1-CD1 4.32Å; V683-L687 WeakPolarHBondContact O-CB 3.25Å; V683-L687 PolarHBondContact O-N 3.16Å |
| 684 | W | 90.8 | Very high | 89 | Confident | 29 Ų | 29 | 43.3 Ų | 43.3 | 11% | 0.11 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.4 | -40.1 | 173.9 | -65.8 | 80.2 | 0 | 0 | 0 | 111.7 | A678 S681 D682 A688 M703 N706 C707 K710 F711 | A678-W684 PolarHBondContact O-NE1 2.89Å; S681-W684 WeakPolarHBondContact O-CB 3.44Å; S681-W684 PolarHBondContact O-N 3.45Å; D682-W684 VanDerWaalsContact C-N 3.33Å; D682-W684 PolarHBondContact O-N 3.02Å; W684-A688 WeakPolarHBondContact O-CB 3.39Å; W684-A688 PolarHBondContact O-N 3.5Å; W684-M703 HydrophobicContact CE3-CB 4.47Å; W684-M703 HydrophobicContact CE3-CE 4.32Å; W684-M703 HydrophobicContact CE3-SD 3.62Å; W684-M703 HydrophobicContact CZ3-CE 3.86Å; W684-M703 HydrophobicContact CZ3-SD 3.69Å; W684-N706 HydrophobicContact CE3-CB 4.08Å; W684-N706 HydrophobicContact CH2-CB 4.42Å; W684-N706 HydrophobicContact CZ3-CB 3.74Å; W684-C707 HydrophobicContact CB-CB 3.83Å; W684-C707 HydrophobicContact CG-CB 4.36Å; W684-K710 HydrophobicContact CZ2-CD 4.27Å; W684-F711 AromaticContact CD1-CE2 3.61Å; W684-F711 AromaticContact CD1-CZ 3.96Å; W684-F711 HydrophobicContact CG-CE2 4.29Å; W684-F711 AromaticContact NE1-CE2 3.8Å; W684-F711 AromaticContact NE1-CZ 3.78Å |
| 685 | L | 91.8 | Very high | 89.1 | Confident | 22 Ų | 22 | 47.7 Ų | 47.7 | 12% | 0.115 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66 | -46.6 | 177.2 | -65.4 | 170.4 | 0 | 0 | 0 | 111.2 | S681 D682 A688 H689 Y704 V719 | S681-L685 PolarHBondContact O-N 2.88Å; D682-L685 PolarHBondContact O-N 3.44Å; L685-A688 CarbonylContact O-C 3.54Å; L685-A688 WeakPolarHBondContact O-CB 3.42Å; L685-A688 PolarHBondContact O-N 2.93Å; L685-A688 VanDerWaalsContact O-N 3.16Å; L685-H689 VanDerWaalsContact O-CG 3.27Å; L685-H689 PolarHBondContact O-N 2.92Å; L685-H689 PolarHBondContact O-ND1 3.37Å; L685-Y704 HydrophobicContact CD2-CD1 3.94Å; L685-Y704 HydrophobicContact CD2-CE1 4.17Å; L685-V719 HydrophobicContact CD1-CG2 4.18Å; L685-V719 HydrophobicContact CD2-CB 4.3Å; L685-V719 HydrophobicContact CD2-CG1 3.73Å; L685-V719 HydrophobicContact CD2-CG2 3.78Å |
| 686 | N | 92 | Very high | 89.3 | Confident | 37 Ų | 37 | 45.2 Ų | 45.2 | 20% | 0.198 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -47.4 | 178.8 | -74.7 | -19.1 | 0 | 0 | 0 | 111.9 | N651 F670 D682 A688 H689 I690 | N651-N686 PolarHBondContact OD1-ND2 3.36Å; F670-N686 HydrophobicContact CD1-CB 4.07Å; F670-N686 HydrophobicContact CD2-CB 4.21Å; F670-N686 HydrophobicContact CE1-CB 3.68Å; F670-N686 HydrophobicContact CE2-CB 3.85Å; F670-N686 HydrophobicContact CG-CB 4.33Å; F670-N686 HydrophobicContact CZ-CB 3.55Å; D682-N686 VanDerWaalsContact O-CB 3.28Å; D682-N686 WeakPolarHBondContact O-CB 3.18Å; D682-N686 PolarHBondContact O-N 3.41Å; D682-N686 PolarHBondContact O-ND2 3.48Å; N686-A688 VanDerWaalsContact C-N 3.32Å; N686-A688 PolarHBondContact O-N 3.19Å; N686-H689 PolarHBondContact O-N 2.89Å; N686-I690 WeakPolarHBondContact O-CG1 3.28Å; N686-I690 PolarHBondContact O-N 3.31Å |
| 687 | L | 91.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -40.5 | 172.2 | -79.1 | 168.5 | 0 | 0 | 0 | 112.3 | R667 F670 R674 V683 I690 Y691 | R667-L687 HydrophobicContact CG-CD2 4.21Å; F670-L687 HydrophobicContact CB-CD1 4.32Å; F670-L687 HydrophobicContact CB-CD2 3.59Å; F670-L687 HydrophobicContact CB-CG 3.67Å; R674-L687 HydrophobicContact CB-CD1 4.05Å; R674-L687 HydrophobicContact CG-CD1 4.26Å; V683-L687 HydrophobicContact CG1-CD1 4.32Å; V683-L687 WeakPolarHBondContact O-CB 3.25Å; V683-L687 PolarHBondContact O-N 3.16Å; L687-I690 PolarHBondContact O-N 2.93Å; L687-Y691 HydrophobicContact CB-CE2 4.27Å; L687-Y691 WeakPolarHBondContact O-CD2 3.49Å; L687-Y691 PolarHBondContact O-N 2.88Å |
| 688 | A | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.3 | -38.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | W684 L685 N686 Y691 V692 M703 Y704 | W684-A688 WeakPolarHBondContact O-CB 3.39Å; W684-A688 PolarHBondContact O-N 3.5Å; L685-A688 CarbonylContact O-C 3.54Å; L685-A688 WeakPolarHBondContact O-CB 3.42Å; L685-A688 PolarHBondContact O-N 2.93Å; L685-A688 VanDerWaalsContact O-N 3.16Å; N686-A688 VanDerWaalsContact C-N 3.32Å; N686-A688 PolarHBondContact O-N 3.19Å; A688-Y691 PolarHBondContact O-N 3.29Å; A688-V692 VanDerWaalsContact O-CG2 3.32Å; A688-V692 WeakPolarHBondContact O-CG2 3.47Å; A688-V692 PolarHBondContact O-N 3.09Å; A688-M703 HydrophobicContact CB-CB 3.75Å; A688-Y704 HydrophobicContact CB-CD1 3.75Å; A688-Y704 HydrophobicContact CB-CD2 3.99Å; A688-Y704 HydrophobicContact CB-CE1 3.4Å; A688-Y704 VanDerWaalsContact CB-CE1 3.4Å; A688-Y704 HydrophobicContact CB-CE2 3.65Å; A688-Y704 HydrophobicContact CB-CG 4.01Å; A688-Y704 PolarHBondContact O-OH 3.45Å |
| 689 | H | 92.4 | Very high | 90.6 | Very high | 63 Ų | 63 | 48.3 Ų | 48.3 | 29% | 0.292 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.3 | -47 | 172 | -67.2 | 143.1 | 0 | 0 | 0 | 111.5 | L685 N686 Y691 V692 E693 Y704 Y722 | L685-H689 VanDerWaalsContact O-CG 3.27Å; L685-H689 PolarHBondContact O-N 2.92Å; L685-H689 PolarHBondContact O-ND1 3.37Å; N686-H689 PolarHBondContact O-N 2.89Å; H689-Y691 PolarHBondContact O-N 2.72Å; H689-V692 PolarHBondContact O-N 3.37Å; H689-E693 PolarHBondContact O-N 3.38Å; H689-Y704 PolarHBondContact CD2-OH 3.05Å; H689-Y704 PolarHBondContact N-OH 3.22Å; H689-Y722 AromaticContact NE2-CD1 3.89Å; H689-Y722 AromaticContact NE2-CD2 3.61Å; H689-Y722 AromaticContact NE2-CE1 3.97Å; H689-Y722 AromaticContact NE2-CE2 3.67Å; H689-Y722 AromaticContact NE2-CG 3.71Å; H689-Y722 AromaticContact NE2-CZ 3.85Å |
| 690 | I | 92.8 | Very high | 91.3 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.8 | -44.8 | 176.3 | -62.6 | -66.1 | 0 | 0 | 0 | 111.3 | A658 F663 A666 R667 F670 N686 L687 V692 E693 Q694 | A658-I690 HydrophobicContact CB-CD1 3.82Å; F663-I690 HydrophobicContact CB-CD1 4.34Å; F663-I690 HydrophobicContact CB-CG2 4.49Å; F663-I690 HydrophobicContact CD1-CD1 3.76Å; F663-I690 WeakPolarHBondContact O-CG2 3.5Å; A666-I690 HydrophobicContact CB-CD1 4.07Å; R667-I690 HydrophobicContact CB-CG2 3.94Å; R667-I690 HydrophobicContact CG-CG2 4.37Å; F670-I690 HydrophobicContact CD2-CG1 4.2Å; F670-I690 HydrophobicContact CE2-CG1 4.08Å; N686-I690 WeakPolarHBondContact O-CG1 3.28Å; N686-I690 PolarHBondContact O-N 3.31Å; L687-I690 PolarHBondContact O-N 2.93Å; I690-V692 PolarHBondContact O-N 3.27Å; I690-E693 PolarHBondContact O-N 2.9Å; I690-Q694 HydrophobicContact CG2-CG 4.26Å; I690-Q694 VanDerWaalsContact CG2-NE2 3.31Å; I690-Q694 WeakPolarHBondContact O-CB 3.4Å; I690-Q694 WeakPolarHBondContact O-CG 3.49Å; I690-Q694 PolarHBondContact O-N 3.45Å |
| 691 | Y | 93.3 | Very high | 91.6 | Very high | 37 Ų | 37 | 43.3 Ų | 43.3 | 15% | 0.145 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.2 | -35.5 | 176.4 | -70.5 | -48.4 | 0 | 0 | 0 | 112.9 | L687 A688 H689 E693 K695 Q696 M703 | L687-Y691 HydrophobicContact CB-CE2 4.27Å; L687-Y691 WeakPolarHBondContact O-CD2 3.49Å; L687-Y691 PolarHBondContact O-N 2.88Å; A688-Y691 PolarHBondContact O-N 3.29Å; H689-Y691 PolarHBondContact O-N 2.72Å; Y691-E693 VanDerWaalsContact C-N 3.35Å; Y691-E693 PolarHBondContact O-N 3.3Å; Y691-K695 PolarHBondContact O-N 2.98Å; Y691-Q696 HydrophobicContact CD1-CB 4.27Å; Y691-Q696 CarbonylContact O-C 3.37Å; Y691-Q696 WeakPolarHBondContact O-CA 3.43Å; Y691-Q696 PolarHBondContact O-N 3.43Å; Y691-M703 HydrophobicContact CD2-CG 4.04Å; Y691-M703 HydrophobicContact CE2-CG 4Å |
| 692 | V | 93.3 | Very high | 91.7 | Very high | 6 Ų | 6 | 47 Ų | 47 | 4% | 0.036 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 174.5 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | A688 H689 I690 K695 Y697 A700 Y704 A726 K729 | A688-V692 VanDerWaalsContact O-CG2 3.32Å; A688-V692 WeakPolarHBondContact O-CG2 3.47Å; A688-V692 PolarHBondContact O-N 3.09Å; H689-V692 PolarHBondContact O-N 3.37Å; I690-V692 PolarHBondContact O-N 3.27Å; V692-K695 WeakPolarHBondContact O-CA 3.41Å; V692-K695 PolarHBondContact O-N 3.32Å; V692-Y697 VanDerWaalsContact O-CE1 3.27Å; V692-Y697 WeakPolarHBondContact O-CE1 3.45Å; V692-A700 HydrophobicContact CG2-CB 3.55Å; V692-Y704 HydrophobicContact CG2-CE2 3.91Å; V692-A726 HydrophobicContact CG2-CB 3.85Å; V692-K729 HydrophobicContact CG1-CD 3.9Å |
| 693 | E | 90.5 | Very high | 91.9 | Very high | 95 Ų | 95 | 45.5 Ų | 45.5 | 44% | 0.444 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -86.2 | -22.6 | -176.6 | -126.2 | 58.7 | -174.6 | 0 | 0 | 113.6 | H689 I690 Y691 K695 K729 | H689-E693 PolarHBondContact O-N 3.38Å; I690-E693 PolarHBondContact O-N 2.9Å; Y691-E693 VanDerWaalsContact C-N 3.35Å; Y691-E693 PolarHBondContact O-N 3.3Å; E693-K695 PolarHBondContact O-N 3.06Å; E693-K729 VanDerWaalsContact CD-NZ 3.26Å; E693-K729 IonicContact OE1-NZ 3.92Å; E693-K729 PolarHBondContact OE1-NZ 3.15Å; E693-K729 VanDerWaalsContact OE1-NZ 3.15Å; E693-K729 IonicContact OE2-NZ 2.7Å; E693-K729 PolarHBondContact OE2-NZ 2.89Å |
| 694 | Q | 91.2 | Very high | 92 | Very high | 50 Ų | 50 | 45.6 Ų | 45.6 | 23% | 0.234 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 4.3 | 160.2 | -66 | -176.3 | 13.3 | 0 | 0 | 113.3 | F663 I690 Q696 | F663-Q694 PolarHBondContact O-NE2 3.18Å; I690-Q694 HydrophobicContact CG2-CG 4.26Å; I690-Q694 VanDerWaalsContact CG2-NE2 3.31Å; I690-Q694 WeakPolarHBondContact O-CB 3.4Å; I690-Q694 WeakPolarHBondContact O-CG 3.49Å; I690-Q694 PolarHBondContact O-N 3.45Å; Q694-Q696 HydrophobicContact CB-CG 4.29Å; Q694-Q696 PolarHBondContact O-N 2.83Å |
| 695 | K | 91.8 | Very high | 91.9 | Very high | 155 Ų | 155 | 47.8 Ų | 47.8 | 67% | 0.674 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 12.8 | -177.6 | -51.9 | 179.3 | -176.6 | 174.4 | 0 | 115.1 | Y691 V692 E693 Y697 | Y691-K695 PolarHBondContact O-N 2.98Å; V692-K695 WeakPolarHBondContact O-CA 3.41Å; V692-K695 PolarHBondContact O-N 3.32Å; E693-K695 PolarHBondContact O-N 3.06Å; K695-Y697 HydrophobicContact CB-CE1 4.3Å; K695-Y697 HydrophobicContact CB-CE2 4.34Å; K695-Y697 WeakPolarHBondContact O-CD2 3.35Å; K695-Y697 PolarHBondContact O-N 2.88Å |
| 696 | Q | 93.3 | Very high | 91.7 | Very high | 86 Ų | 86 | 49.2 Ų | 49.2 | 40% | 0.402 | 24% | 0.237 | S | C | . | . | trans | -83.8 | 58.4 | 178.8 | -62.1 | -170.4 | -5.3 | 0 | 0 | 111.3 | Y691 Q694 I698 S699 A700 | Y691-Q696 HydrophobicContact CD1-CB 4.27Å; Y691-Q696 CarbonylContact O-C 3.37Å; Y691-Q696 WeakPolarHBondContact O-CA 3.43Å; Y691-Q696 PolarHBondContact O-N 3.43Å; Q694-Q696 HydrophobicContact CB-CG 4.29Å; Q694-Q696 PolarHBondContact O-N 2.83Å; Q696-I698 VanDerWaalsContact C-N 3.26Å; Q696-I698 PolarHBondContact O-N 3.04Å; Q696-I698 VanDerWaalsContact O-N 3.16Å; Q696-S699 PolarHBondContact O-N 3.22Å; Q696-A700 PolarHBondContact O-N 3.26Å; Q696-A700 VanDerWaalsContact O-N 3.15Å | ||
| 697 | Y | 93.8 | Very high | 91.6 | Very high | 52 Ų | 52 | 47.5 Ų | 47.5 | 20% | 0.204 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61 | -30 | -169 | -47.6 | -53.7 | 0 | 0 | 0 | 114.2 | V692 K695 A700 V701 K729 C730 | V692-Y697 VanDerWaalsContact O-CE1 3.27Å; V692-Y697 WeakPolarHBondContact O-CE1 3.45Å; K695-Y697 HydrophobicContact CB-CE1 4.3Å; K695-Y697 HydrophobicContact CB-CE2 4.34Å; K695-Y697 WeakPolarHBondContact O-CD2 3.35Å; K695-Y697 PolarHBondContact O-N 2.88Å; Y697-A700 PolarHBondContact O-N 3.32Å; Y697-V701 WeakPolarHBondContact O-CB 3.36Å; Y697-V701 VanDerWaalsContact O-CG2 3.23Å; Y697-V701 WeakPolarHBondContact O-CG2 3.33Å; Y697-V701 PolarHBondContact O-N 3.14Å; Y697-K729 HydrophobicContact CD1-CB 3.82Å; Y697-K729 HydrophobicContact CD1-CD 4.27Å; Y697-K729 HydrophobicContact CD2-CB 4.35Å; Y697-K729 HydrophobicContact CE1-CB 3.5Å; Y697-K729 VanDerWaalsContact CE1-CB 3.5Å; Y697-K729 HydrophobicContact CE1-CD 3.44Å; Y697-K729 VanDerWaalsContact CE1-CD 3.44Å; Y697-K729 HydrophobicContact CE1-CG 4.12Å; Y697-K729 HydrophobicContact CE2-CB 4.05Å; Y697-K729 WeakPolarHBondContact CE2-O 3.17Å; Y697-K729 HydrophobicContact CG-CB 4.24Å; Y697-C730 HydrophobicContact CD2-CB 4.23Å; Y697-C730 HydrophobicContact CG-CB 4.24Å |
| 698 | I | 90.2 | Very high | 91.4 | Very high | 119 Ų | 119 | 48.6 Ų | 48.6 | 61% | 0.61 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -64.2 | -48.5 | 178.8 | -57.3 | 175.4 | 0 | 0 | 0 | 110.2 | Q696 V701 Q702 | Q696-I698 VanDerWaalsContact C-N 3.26Å; Q696-I698 PolarHBondContact O-N 3.04Å; Q696-I698 VanDerWaalsContact O-N 3.16Å; I698-V701 PolarHBondContact O-N 2.88Å; I698-Q702 WeakPolarHBondContact O-CG 3.39Å; I698-Q702 PolarHBondContact O-N 3.49Å |
| 699 | S | 91.4 | Very high | 91.1 | Very high | 40 Ų | 40 | 56.6 Ų | 56.6 | 28% | 0.28 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 175.8 | -45.3 | 0 | 0 | 0 | 0 | 111.1 | Q696 V701 Q702 M703 | Q696-S699 PolarHBondContact O-N 3.22Å; S699-V701 PolarHBondContact O-N 2.8Å; S699-Q702 PolarHBondContact O-N 3.27Å; S699-M703 WeakPolarHBondContact O-CG 3.2Å; S699-M703 PolarHBondContact O-N 3.01Å |
| 700 | A | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V692 Q696 Y697 Q702 M703 Y704 | V692-A700 HydrophobicContact CG2-CB 3.55Å; Q696-A700 PolarHBondContact O-N 3.26Å; Q696-A700 VanDerWaalsContact O-N 3.15Å; Y697-A700 PolarHBondContact O-N 3.32Å; A700-Q702 VanDerWaalsContact C-N 3.28Å; A700-Q702 PolarHBondContact O-N 2.89Å; A700-M703 PolarHBondContact O-N 2.99Å; A700-M703 VanDerWaalsContact O-N 3.11Å; A700-Y704 HydrophobicContact CB-CD2 4.49Å; A700-Y704 HydrophobicContact CB-CE2 4.05Å; A700-Y704 WeakPolarHBondContact O-CD2 3.43Å; A700-Y704 PolarHBondContact O-N 3.17Å |
| 701 | V | 92 | Very high | 90.1 | Very high | 26 Ų | 26 | 60.9 Ų | 60.9 | 16% | 0.158 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.4 | -41.2 | 177.2 | 163.2 | 0 | 0 | 0 | 0 | 111.3 | Y697 I698 S699 E705 L723 A726 L727 | Y697-V701 WeakPolarHBondContact O-CB 3.36Å; Y697-V701 VanDerWaalsContact O-CG2 3.23Å; Y697-V701 WeakPolarHBondContact O-CG2 3.33Å; Y697-V701 PolarHBondContact O-N 3.14Å; I698-V701 PolarHBondContact O-N 2.88Å; S699-V701 PolarHBondContact O-N 2.8Å; V701-E705 VanDerWaalsContact O-CB 3.27Å; V701-E705 WeakPolarHBondContact O-CB 3.37Å; V701-E705 PolarHBondContact O-N 3.48Å; V701-E705 VanDerWaalsContact O-N 3.07Å; V701-L723 HydrophobicContact CB-CD1 4.24Å; V701-L723 HydrophobicContact CG1-CD1 3.97Å; V701-L723 HydrophobicContact CG2-CD1 4.14Å; V701-A726 HydrophobicContact CG2-CB 3.89Å; V701-L727 HydrophobicContact CG1-CD2 3.94Å; V701-L727 HydrophobicContact CG2-CD2 3.75Å; V701-L727 HydrophobicContact CG2-CG 3.96Å |
| 702 | Q | 90.6 | Very high | 89.4 | Confident | 108 Ų | 108 | 62.3 Ų | 62.3 | 51% | 0.505 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.8 | -40.9 | 175.2 | -68.6 | 172.5 | -4.1 | 0 | 0 | 112.4 | I698 S699 A700 N706 | I698-Q702 WeakPolarHBondContact O-CG 3.39Å; I698-Q702 PolarHBondContact O-N 3.49Å; S699-Q702 PolarHBondContact O-N 3.27Å; A700-Q702 VanDerWaalsContact C-N 3.28Å; A700-Q702 PolarHBondContact O-N 2.89Å; Q702-N706 VanDerWaalsContact O-CB 3.27Å; Q702-N706 WeakPolarHBondContact O-CB 3.29Å; Q702-N706 PolarHBondContact O-N 2.96Å; Q702-N706 PolarHBondContact O-ND2 3.02Å |
| 703 | M | 90.4 | Very high | 88 | Confident | 23 Ų | 23 | 72.2 Ų | 72.2 | 11% | 0.113 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 178 | -65.5 | -59.4 | 95.4 | 0 | 0 | 112.2 | W684 A688 Y691 S699 A700 N706 C707 | W684-M703 HydrophobicContact CE3-CB 4.47Å; W684-M703 HydrophobicContact CE3-CE 4.32Å; W684-M703 HydrophobicContact CE3-SD 3.62Å; W684-M703 HydrophobicContact CZ3-CE 3.86Å; W684-M703 HydrophobicContact CZ3-SD 3.69Å; A688-M703 HydrophobicContact CB-CB 3.75Å; Y691-M703 HydrophobicContact CD2-CG 4.04Å; Y691-M703 HydrophobicContact CE2-CG 4Å; S699-M703 WeakPolarHBondContact O-CG 3.2Å; S699-M703 PolarHBondContact O-N 3.01Å; A700-M703 PolarHBondContact O-N 2.99Å; A700-M703 VanDerWaalsContact O-N 3.11Å; M703-N706 PolarHBondContact O-N 3.32Å; M703-C707 VanDerWaalsContact O-CB 3.31Å; M703-C707 WeakPolarHBondContact O-CB 3.01Å; M703-C707 PolarHBondContact O-N 3.41Å |
| 704 | Y | 91.8 | Very high | 86.8 | Confident | 3 Ų | 3 | 73.7 Ų | 73.7 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 176.3 | -63.6 | -65.1 | 0 | 0 | 0 | 112.4 | L685 A688 H689 V692 A700 C707 L708 V719 Y722 L723 A726 | L685-Y704 HydrophobicContact CD2-CD1 3.94Å; L685-Y704 HydrophobicContact CD2-CE1 4.17Å; A688-Y704 HydrophobicContact CB-CD1 3.75Å; A688-Y704 HydrophobicContact CB-CD2 3.99Å; A688-Y704 HydrophobicContact CB-CE1 3.4Å; A688-Y704 VanDerWaalsContact CB-CE1 3.4Å; A688-Y704 HydrophobicContact CB-CE2 3.65Å; A688-Y704 HydrophobicContact CB-CG 4.01Å; A688-Y704 PolarHBondContact O-OH 3.45Å; H689-Y704 PolarHBondContact CD2-OH 3.05Å; H689-Y704 PolarHBondContact N-OH 3.22Å; V692-Y704 HydrophobicContact CG2-CE2 3.91Å; A700-Y704 HydrophobicContact CB-CD2 4.49Å; A700-Y704 HydrophobicContact CB-CE2 4.05Å; A700-Y704 WeakPolarHBondContact O-CD2 3.43Å; A700-Y704 PolarHBondContact O-N 3.17Å; Y704-C707 PolarHBondContact O-N 3.02Å; Y704-L708 WeakPolarHBondContact O-CB 2.99Å; Y704-L708 WeakPolarHBondContact O-CG 3.46Å; Y704-L708 PolarHBondContact O-N 3.35Å; Y704-V719 HydrophobicContact CD1-CG1 4.37Å; Y704-Y722 VanDerWaalsContact CE1-CB 3.48Å; Y704-Y722 HydrophobicContact CE1-CD2 4.49Å; Y704-Y722 HydrophobicContact CE1-CG 4.33Å; Y704-L723 HydrophobicContact CD2-CB 4.43Å; Y704-L723 HydrophobicContact CG-CB 4.28Å; Y704-A726 HydrophobicContact CD2-CB 4.21Å; Y704-A726 HydrophobicContact CE2-CB 3.87Å |
| 705 | E | 88.9 | Confident | 85.9 | Confident | 74 Ų | 74 | 75.7 Ų | 75.7 | 35% | 0.346 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.8 | -38.1 | 178.7 | 173.4 | 65.6 | -155.2 | 0 | 0 | 111.9 | V701 R709 | V701-E705 VanDerWaalsContact O-CB 3.27Å; V701-E705 WeakPolarHBondContact O-CB 3.37Å; V701-E705 PolarHBondContact O-N 3.48Å; V701-E705 VanDerWaalsContact O-N 3.07Å; E705-R709 VanDerWaalsContact CG-NH2 3.33Å; E705-R709 WeakPolarHBondContact O-CB 3.41Å; E705-R709 PolarHBondContact O-N 3.46Å; E705-R709 IonicContact OE1-CZ 3.34Å; E705-R709 IonicContact OE1-NE 2.75Å; E705-R709 IonicContact OE1-NH2 2.68Å; E705-R709 PolarHBondContact OE1-NH2 2.87Å |
| 706 | N | 88.4 | Confident | 85.5 | Confident | 53 Ų | 53 | 70.5 Ų | 70.5 | 28% | 0.283 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.5 | -39.1 | 174.2 | -72.8 | -16.9 | 0 | 0 | 0 | 112.1 | W684 Q702 M703 R709 K710 | W684-N706 HydrophobicContact CE3-CB 4.08Å; W684-N706 HydrophobicContact CH2-CB 4.42Å; W684-N706 HydrophobicContact CZ3-CB 3.74Å; Q702-N706 VanDerWaalsContact O-CB 3.27Å; Q702-N706 WeakPolarHBondContact O-CB 3.29Å; Q702-N706 PolarHBondContact O-N 2.96Å; Q702-N706 PolarHBondContact O-ND2 3.02Å; M703-N706 PolarHBondContact O-N 3.32Å; N706-R709 PolarHBondContact O-N 2.99Å; N706-K710 WeakPolarHBondContact O-CB 3.5Å; N706-K710 PolarHBondContact O-N 3.26Å |
| 707 | C | 89.2 | Confident | 85 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 174.4 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | S681 W684 M703 Y704 R709 K710 F711 | S681-C707 PolarHBondContact O-SG 3.06Å; W684-C707 HydrophobicContact CB-CB 3.83Å; W684-C707 HydrophobicContact CG-CB 4.36Å; M703-C707 VanDerWaalsContact O-CB 3.31Å; M703-C707 WeakPolarHBondContact O-CB 3.01Å; M703-C707 PolarHBondContact O-N 3.41Å; Y704-C707 PolarHBondContact O-N 3.02Å; C707-R709 VanDerWaalsContact C-N 3.3Å; C707-R709 PolarHBondContact O-N 3.42Å; C707-K710 PolarHBondContact O-N 3.41Å; C707-F711 HydrophobicContact CB-CD2 4.46Å; C707-F711 WeakPolarHBondContact O-CD2 3.26Å; C707-F711 PolarHBondContact O-N 3.45Å; C707-F711 VanDerWaalsContact O-N 3.1Å |
| 708 | L | 87.4 | Confident | 84.5 | Confident | 24 Ų | 24 | 71 Ų | 71 | 13% | 0.126 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55.6 | -42.9 | 172.5 | -75.4 | 170.8 | 0 | 0 | 0 | 112.5 | Y704 Y712 V719 V720 L723 | Y704-L708 WeakPolarHBondContact O-CB 2.99Å; Y704-L708 WeakPolarHBondContact O-CG 3.46Å; Y704-L708 PolarHBondContact O-N 3.35Å; L708-Y712 HydrophobicContact CD2-CD2 4.34Å; L708-Y712 PolarHBondContact O-N 3.14Å; L708-V719 HydrophobicContact CD1-CG1 4.26Å; L708-V719 HydrophobicContact CD2-CB 3.89Å; L708-V719 HydrophobicContact CD2-CG1 3.75Å; L708-V719 HydrophobicContact CG-CB 4.39Å; L708-V719 HydrophobicContact CG-CG1 3.7Å; L708-V720 HydrophobicContact CD1-CG2 3.83Å; L708-V720 HydrophobicContact CD2-CG2 3.92Å; L708-L723 HydrophobicContact CD1-CD2 3.82Å |
| 709 | R | 85.9 | Confident | 84.3 | Confident | 168 Ų | 168 | 65.5 Ų | 65.5 | 63% | 0.634 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -73.9 | -32.4 | -178.5 | -166 | -179.5 | -56.9 | 138.3 | 7.5 | 114 | E705 N706 C707 | E705-R709 VanDerWaalsContact CG-NH2 3.33Å; E705-R709 WeakPolarHBondContact O-CB 3.41Å; E705-R709 PolarHBondContact O-N 3.46Å; E705-R709 IonicContact OE1-CZ 3.34Å; E705-R709 IonicContact OE1-NE 2.75Å; E705-R709 IonicContact OE1-NH2 2.68Å; E705-R709 PolarHBondContact OE1-NH2 2.87Å; N706-R709 PolarHBondContact O-N 2.99Å; C707-R709 VanDerWaalsContact C-N 3.3Å; C707-R709 PolarHBondContact O-N 3.42Å |
| 710 | K | 83.6 | Confident | 84.2 | Confident | 98 Ų | 98 | 63.9 Ų | 63.9 | 43% | 0.426 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -77.1 | -53.9 | -179.7 | -89.4 | -162.3 | 165.3 | -154.6 | 0 | 112.6 | A678 D679 W684 N706 C707 | A678-K710 PolarHBondContact O-NZ 2.95Å; D679-K710 IonicContact OD1-NZ 2.61Å; D679-K710 PolarHBondContact OD1-NZ 3.08Å; W684-K710 HydrophobicContact CZ2-CD 4.27Å; N706-K710 WeakPolarHBondContact O-CB 3.5Å; N706-K710 PolarHBondContact O-N 3.26Å; C707-K710 PolarHBondContact O-N 3.41Å |
| 711 | F | 80.6 | Confident | 83.9 | Confident | 61 Ų | 61 | 66 Ų | 66 | 27% | 0.268 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -104.1 | -25.6 | -160.5 | -52.6 | -66.1 | 0 | 0 | 0 | 114 | D679 S681 W684 C707 | D679-F711 VanDerWaalsContact C-CE1 3.47Å; D679-F711 HydrophobicContact CB-CE1 4.33Å; D679-F711 WeakPolarHBondContact O-CE1 3.49Å; S681-F711 VanDerWaalsContact CB-CD2 3.49Å; W684-F711 AromaticContact CD1-CE2 3.61Å; W684-F711 AromaticContact CD1-CZ 3.96Å; W684-F711 HydrophobicContact CG-CE2 4.29Å; W684-F711 AromaticContact NE1-CE2 3.8Å; W684-F711 AromaticContact NE1-CZ 3.78Å; C707-F711 HydrophobicContact CB-CD2 4.46Å; C707-F711 WeakPolarHBondContact O-CD2 3.26Å; C707-F711 PolarHBondContact O-N 3.45Å; C707-F711 VanDerWaalsContact O-N 3.1Å |
| 712 | Y | 80.1 | Confident | 83.9 | Confident | 68 Ų | 68 | 67.6 Ų | 67.6 | 27% | 0.267 | 31% | 0.307 | S | S | . | . | trans | -110.9 | 99.2 | -167.2 | -61 | -75.5 | 0 | 0 | 0 | 111.9 | L708 H714 N716 V719 | L708-Y712 HydrophobicContact CD2-CD2 4.34Å; L708-Y712 PolarHBondContact O-N 3.14Å; Y712-H714 WeakPolarHBondContact CB-O 3.29Å; Y712-H714 PolarHBondContact O-N 3.38Å; Y712-N716 HydrophobicContact CD1-CB 3.94Å; Y712-N716 HydrophobicContact CE1-CB 4.19Å; Y712-N716 WeakPolarHBondContact CE1-ND2 3.48Å; Y712-N716 HydrophobicContact CG-CB 4.24Å; Y712-V719 HydrophobicContact CE2-CG2 4.09Å | ||
| 713 | K | 63.2 | Low | 83.9 | Confident | 213 Ų | 213 | 62.8 Ų | 62.8 | 93% | 0.926 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -59.7 | -23.9 | 173.2 | -66.2 | 179.6 | -178.5 | 174.1 | 0 | 113.1 | ||
| 714 | H | 65.8 | Low | 83.9 | Confident | 127 Ų | 127 | 61.9 Ų | 61.9 | 59% | 0.588 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -126.8 | 153.3 | 177.4 | -151.7 | 83.4 | 0 | 0 | 0 | 110 | Y712 N716 | Y712-H714 WeakPolarHBondContact CB-O 3.29Å; Y712-H714 PolarHBondContact O-N 3.38Å; H714-N716 PolarHBondContact O-N 3.32Å |
| 715 | Q | 72.6 | Confident | 83.9 | Confident | 92 Ų | 92 | 68.1 Ų | 68.1 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | trans | -74.7 | 97.1 | -172.4 | -62.1 | 79.3 | 26.9 | 0 | 0 | 112.3 | T717 V720 V746 | Q715-T717 PolarHBondContact O-N 2.74Å; Q715-V720 HydrophobicContact CB-CG2 4.39Å; Q715-V746 HydrophobicContact CB-CG2 4.22Å | ||
| 716 | N | 81.6 | Confident | 84.1 | Confident | 46 Ų | 46 | 64.6 Ų | 64.6 | 25% | 0.246 | 29% | 0.288 | C | S | . | . | trans | -57.6 | 119.4 | 171.4 | -179.1 | -17 | 0 | 0 | 0 | 110.3 | Y712 H714 E718 V719 V720 | Y712-N716 HydrophobicContact CD1-CB 3.94Å; Y712-N716 HydrophobicContact CE1-CB 4.19Å; Y712-N716 WeakPolarHBondContact CE1-ND2 3.48Å; Y712-N716 HydrophobicContact CG-CB 4.24Å; H714-N716 PolarHBondContact O-N 3.32Å; N716-E718 VanDerWaalsContact C-N 3.31Å; N716-E718 PolarHBondContact O-N 3.4Å; N716-E718 PolarHBondContact OD1-N 3.19Å; N716-V719 HydrophobicContact CB-CG2 4.38Å; N716-V720 WeakPolarHBondContact O-CB 3.23Å; N716-V720 WeakPolarHBondContact O-CG2 3.36Å; N716-V720 PolarHBondContact O-N 3.08Å; N716-V720 VanDerWaalsContact O-N 3.16Å | ||
| 717 | T | 83.5 | Confident | 84.2 | Confident | 45 Ų | 45 | 62.3 Ų | 62.3 | 28% | 0.276 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.4 | -36.1 | -175.6 | 47 | 0 | 0 | 0 | 0 | 113.1 | Q715 L721 V746 A747 L753 | Q715-T717 PolarHBondContact O-N 2.74Å; T717-L721 WeakPolarHBondContact O-CB 3.41Å; T717-L721 PolarHBondContact O-N 3.46Å; T717-V746 HydrophobicContact CG2-CB 4.43Å; T717-V746 HydrophobicContact CG2-CG1 4.46Å; T717-A747 HydrophobicContact CG2-CB 3.69Å; T717-L753 HydrophobicContact CG2-CD1 4.35Å |
| 718 | E | 83.9 | Confident | 84.3 | Confident | 104 Ų | 104 | 64.5 Ų | 64.5 | 49% | 0.486 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -71.9 | -48.5 | -175.7 | -165.7 | -173.1 | 156.6 | 0 | 0 | 111.6 | N716 V720 L721 Y722 | N716-E718 VanDerWaalsContact C-N 3.31Å; N716-E718 PolarHBondContact O-N 3.4Å; N716-E718 PolarHBondContact OD1-N 3.19Å; E718-V720 VanDerWaalsContact C-N 3.28Å; E718-V720 PolarHBondContact O-N 3.25Å; E718-L721 WeakPolarHBondContact O-CA 3.34Å; E718-L721 WeakPolarHBondContact O-CB 3.38Å; E718-L721 PolarHBondContact O-N 2.91Å; E718-Y722 HydrophobicContact CG-CD2 4.42Å; E718-Y722 HydrophobicContact CG-CE2 3.71Å; E718-Y722 WeakPolarHBondContact O-CD2 3.49Å; E718-Y722 PolarHBondContact O-N 3.19Å; E718-Y722 PolarHBondContact OE1-OH 3.27Å |
| 719 | V | 86.3 | Confident | 84.4 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.1 | -36.2 | 176.3 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | L685 Y704 L708 Y712 N716 L721 Y722 L723 | L685-V719 HydrophobicContact CD1-CG2 4.18Å; L685-V719 HydrophobicContact CD2-CB 4.3Å; L685-V719 HydrophobicContact CD2-CG1 3.73Å; L685-V719 HydrophobicContact CD2-CG2 3.78Å; Y704-V719 HydrophobicContact CD1-CG1 4.37Å; L708-V719 HydrophobicContact CD1-CG1 4.26Å; L708-V719 HydrophobicContact CD2-CB 3.89Å; L708-V719 HydrophobicContact CD2-CG1 3.75Å; L708-V719 HydrophobicContact CG-CB 4.39Å; L708-V719 HydrophobicContact CG-CG1 3.7Å; Y712-V719 HydrophobicContact CE2-CG2 4.09Å; N716-V719 HydrophobicContact CB-CG2 4.38Å; V719-L721 VanDerWaalsContact C-N 3.32Å; V719-Y722 PolarHBondContact O-N 3.21Å; V719-L723 WeakPolarHBondContact O-CB 3.43Å; V719-L723 PolarHBondContact O-N 3.4Å |
| 720 | V | 88.1 | Confident | 84.4 | Confident | 6 Ų | 6 | 60.6 Ų | 60.6 | 4% | 0.036 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69 | -30.3 | 174.3 | 178.6 | 0 | 0 | 0 | 0 | 111.7 | L708 Q715 N716 E718 A724 T739 A743 | L708-V720 HydrophobicContact CD1-CG2 3.83Å; L708-V720 HydrophobicContact CD2-CG2 3.92Å; Q715-V720 HydrophobicContact CB-CG2 4.39Å; N716-V720 WeakPolarHBondContact O-CB 3.23Å; N716-V720 WeakPolarHBondContact O-CG2 3.36Å; N716-V720 PolarHBondContact O-N 3.08Å; N716-V720 VanDerWaalsContact O-N 3.16Å; E718-V720 VanDerWaalsContact C-N 3.28Å; E718-V720 PolarHBondContact O-N 3.25Å; V720-A724 VanDerWaalsContact O-CB 3.3Å; V720-A724 WeakPolarHBondContact O-CB 3.29Å; V720-A724 PolarHBondContact O-N 3Å; V720-T739 HydrophobicContact CG1-CG2 3.51Å; V720-T739 VanDerWaalsContact CG1-O 3.3Å; V720-T739 WeakPolarHBondContact CG1-O 3.23Å; V720-A743 HydrophobicContact CB-CB 4.19Å; V720-A743 HydrophobicContact CG1-CB 3.67Å |
| 721 | L | 88.8 | Confident | 84.5 | Confident | 44 Ų | 44 | 58.5 Ų | 58.5 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.7 | -42.1 | 171.7 | -178.9 | 64.5 | 0 | 0 | 0 | 111.8 | T717 E718 V719 A724 R725 L740 V752 L753 | T717-L721 WeakPolarHBondContact O-CB 3.41Å; T717-L721 PolarHBondContact O-N 3.46Å; E718-L721 WeakPolarHBondContact O-CA 3.34Å; E718-L721 WeakPolarHBondContact O-CB 3.38Å; E718-L721 PolarHBondContact O-N 2.91Å; V719-L721 VanDerWaalsContact C-N 3.32Å; L721-A724 WeakPolarHBondContact O-CB 3.48Å; L721-A724 PolarHBondContact O-N 3.05Å; L721-R725 WeakPolarHBondContact O-CB 3.49Å; L721-R725 PolarHBondContact O-N 3.08Å; L721-L740 HydrophobicContact CD1-CD2 4.32Å; L721-V752 HydrophobicContact CD2-CG1 4.14Å; L721-L753 HydrophobicContact CD1-CD2 4.37Å |
| 722 | Y | 90.9 | Very high | 85 | Confident | 61 Ų | 61 | 59.8 Ų | 59.8 | 24% | 0.239 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 173.8 | -61.4 | -41.9 | 0 | 0 | 0 | 112.4 | H689 Y704 E718 V719 A724 R725 A726 | H689-Y722 AromaticContact NE2-CD1 3.89Å; H689-Y722 AromaticContact NE2-CD2 3.61Å; H689-Y722 AromaticContact NE2-CE1 3.97Å; H689-Y722 AromaticContact NE2-CE2 3.67Å; H689-Y722 AromaticContact NE2-CG 3.71Å; H689-Y722 AromaticContact NE2-CZ 3.85Å; Y704-Y722 VanDerWaalsContact CE1-CB 3.48Å; Y704-Y722 HydrophobicContact CE1-CD2 4.49Å; Y704-Y722 HydrophobicContact CE1-CG 4.33Å; E718-Y722 HydrophobicContact CG-CD2 4.42Å; E718-Y722 HydrophobicContact CG-CE2 3.71Å; E718-Y722 WeakPolarHBondContact O-CD2 3.49Å; E718-Y722 PolarHBondContact O-N 3.19Å; E718-Y722 PolarHBondContact OE1-OH 3.27Å; V719-Y722 PolarHBondContact O-N 3.21Å; Y722-A724 VanDerWaalsContact C-N 3.34Å; Y722-A724 PolarHBondContact O-N 3.35Å; Y722-R725 WeakPolarHBondContact O-CB 3.49Å; Y722-R725 PolarHBondContact O-N 3.44Å; Y722-A726 PolarHBondContact O-N 3.33Å |
| 723 | L | 91.3 | Very high | 85.4 | Confident | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59 | -43.3 | 171.1 | 175.5 | 58.2 | 0 | 0 | 0 | 111.7 | V701 Y704 L708 V719 A726 L727 T739 | V701-L723 HydrophobicContact CB-CD1 4.24Å; V701-L723 HydrophobicContact CG1-CD1 3.97Å; V701-L723 HydrophobicContact CG2-CD1 4.14Å; Y704-L723 HydrophobicContact CD2-CB 4.43Å; Y704-L723 HydrophobicContact CG-CB 4.28Å; L708-L723 HydrophobicContact CD1-CD2 3.82Å; V719-L723 WeakPolarHBondContact O-CB 3.43Å; V719-L723 PolarHBondContact O-N 3.4Å; L723-A726 PolarHBondContact O-N 3.32Å; L723-L727 HydrophobicContact CD1-CD1 4.01Å; L723-L727 HydrophobicContact CD1-CG 4.12Å; L723-L727 HydrophobicContact CG-CD1 3.98Å; L723-L727 WeakPolarHBondContact O-CB 3.31Å; L723-L727 VanDerWaalsContact O-CG 3.31Å; L723-L727 WeakPolarHBondContact O-CG 3.41Å; L723-L727 PolarHBondContact O-N 3.46Å; L723-T739 HydrophobicContact CB-CG2 4.33Å; L723-T739 HydrophobicContact CD2-CG2 3.87Å; L723-T739 HydrophobicContact CG-CG2 3.91Å |
| 724 | A | 91.1 | Very high | 86.7 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 3% | 0.025 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V720 L721 Y722 A726 L727 F728 C736 T739 L740 | V720-A724 VanDerWaalsContact O-CB 3.3Å; V720-A724 WeakPolarHBondContact O-CB 3.29Å; V720-A724 PolarHBondContact O-N 3Å; L721-A724 WeakPolarHBondContact O-CB 3.48Å; L721-A724 PolarHBondContact O-N 3.05Å; Y722-A724 VanDerWaalsContact C-N 3.34Å; Y722-A724 PolarHBondContact O-N 3.35Å; A724-A726 VanDerWaalsContact C-N 3.33Å; A724-A726 PolarHBondContact O-N 3.08Å; A724-L727 PolarHBondContact O-N 2.84Å; A724-F728 VanDerWaalsContact O-CB 3.28Å; A724-F728 WeakPolarHBondContact O-CB 3.22Å; A724-F728 PolarHBondContact O-N 3.01Å; A724-C736 PolarHBondContact O-SG 2.76Å; A724-T739 HydrophobicContact CB-CG2 4.22Å; A724-L740 HydrophobicContact CB-CD1 4.27Å; A724-L740 HydrophobicContact CB-CD2 3.5Å; A724-L740 HydrophobicContact CB-CG 3.6Å |
| 725 | R | 90.4 | Very high | 87.8 | Confident | 135 Ų | 135 | 49.2 Ų | 49.2 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.2 | -41.4 | 175.1 | -170.9 | -179.2 | -176.8 | -156.8 | 0 | 111.6 | L721 Y722 F728 K729 | L721-R725 WeakPolarHBondContact O-CB 3.49Å; L721-R725 PolarHBondContact O-N 3.08Å; Y722-R725 WeakPolarHBondContact O-CB 3.49Å; Y722-R725 PolarHBondContact O-N 3.44Å; R725-F728 PolarHBondContact O-N 2.8Å; R725-K729 PolarHBondContact O-N 2.93Å |
| 726 | A | 92.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.4 | -47.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V692 V701 Y704 Y722 L723 A724 F728 K729 C730 | V692-A726 HydrophobicContact CG2-CB 3.85Å; V701-A726 HydrophobicContact CG2-CB 3.89Å; Y704-A726 HydrophobicContact CD2-CB 4.21Å; Y704-A726 HydrophobicContact CE2-CB 3.87Å; Y722-A726 PolarHBondContact O-N 3.33Å; L723-A726 PolarHBondContact O-N 3.32Å; A724-A726 VanDerWaalsContact C-N 3.33Å; A724-A726 PolarHBondContact O-N 3.08Å; A726-F728 VanDerWaalsContact C-N 3.26Å; A726-F728 PolarHBondContact O-N 3.25Å; A726-K729 PolarHBondContact O-N 2.94Å; A726-C730 VanDerWaalsContact O-CB 3.26Å; A726-C730 WeakPolarHBondContact O-CB 3.49Å; A726-C730 PolarHBondContact O-N 3.5Å |
| 727 | L | 91.7 | Very high | 89.3 | Confident | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.6 | -35.5 | 175.4 | -71.1 | 167 | 0 | 0 | 0 | 112.2 | V701 L723 A724 C730 G731 K732 E735 C736 T739 | V701-L727 HydrophobicContact CG1-CD2 3.94Å; V701-L727 HydrophobicContact CG2-CD2 3.75Å; V701-L727 HydrophobicContact CG2-CG 3.96Å; L723-L727 HydrophobicContact CD1-CD1 4.01Å; L723-L727 HydrophobicContact CD1-CG 4.12Å; L723-L727 HydrophobicContact CG-CD1 3.98Å; L723-L727 WeakPolarHBondContact O-CB 3.31Å; L723-L727 VanDerWaalsContact O-CG 3.31Å; L723-L727 WeakPolarHBondContact O-CG 3.41Å; L723-L727 PolarHBondContact O-N 3.46Å; A724-L727 PolarHBondContact O-N 2.84Å; L727-C730 PolarHBondContact O-N 2.83Å; L727-G731 PolarHBondContact O-N 3.24Å; L727-K732 HydrophobicContact CB-CB 4.5Å; L727-K732 HydrophobicContact CD2-CB 4.17Å; L727-K732 HydrophobicContact CD2-CD 4.1Å; L727-K732 PolarHBondContact O-N 3.12Å; L727-E735 HydrophobicContact CD1-CB 4.4Å; L727-E735 HydrophobicContact CD2-CB 4.21Å; L727-C736 HydrophobicContact CB-CB 3.75Å; L727-T739 HydrophobicContact CD1-CG2 4.31Å; L727-T739 WeakPolarHBondContact CD1-OG1 3.47Å |
| 728 | F | 91.2 | Very high | 89.6 | Confident | 45 Ų | 45 | 45.8 Ų | 45.8 | 20% | 0.197 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.6 | -49.2 | 176.1 | -172.6 | -108.4 | 0 | 0 | 0 | 112.2 | A724 R725 A726 C730 G731 L733 L759 V760 | A724-F728 VanDerWaalsContact O-CB 3.28Å; A724-F728 WeakPolarHBondContact O-CB 3.22Å; A724-F728 PolarHBondContact O-N 3.01Å; R725-F728 PolarHBondContact O-N 2.8Å; A726-F728 VanDerWaalsContact C-N 3.26Å; A726-F728 PolarHBondContact O-N 3.25Å; F728-C730 PolarHBondContact O-N 3.18Å; F728-G731 PolarHBondContact O-N 3.04Å; F728-L733 HydrophobicContact CD2-CD2 3.52Å; F728-L733 HydrophobicContact CE2-CD2 3.83Å; F728-L759 HydrophobicContact CE1-CD2 4.44Å; F728-L759 HydrophobicContact CZ-CD2 3.93Å; F728-L759 HydrophobicContact CZ-CG 4.06Å; F728-V760 HydrophobicContact CD2-CG2 3.72Å; F728-V760 HydrophobicContact CE2-CG2 3.85Å |
| 729 | K | 88.4 | Confident | 90 | Very high | 70 Ų | 70 | 41.7 Ų | 41.7 | 30% | 0.304 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.6 | -31.2 | 172.3 | -73.5 | -164.5 | -177.2 | -172 | 0 | 112 | V692 E693 Y697 R725 A726 G731 | V692-K729 HydrophobicContact CG1-CD 3.9Å; E693-K729 VanDerWaalsContact CD-NZ 3.26Å; E693-K729 IonicContact OE1-NZ 3.92Å; E693-K729 PolarHBondContact OE1-NZ 3.15Å; E693-K729 VanDerWaalsContact OE1-NZ 3.15Å; E693-K729 IonicContact OE2-NZ 2.7Å; E693-K729 PolarHBondContact OE2-NZ 2.89Å; Y697-K729 HydrophobicContact CD1-CB 3.82Å; Y697-K729 HydrophobicContact CD1-CD 4.27Å; Y697-K729 HydrophobicContact CD2-CB 4.35Å; Y697-K729 HydrophobicContact CE1-CB 3.5Å; Y697-K729 VanDerWaalsContact CE1-CB 3.5Å; Y697-K729 HydrophobicContact CE1-CD 3.44Å; Y697-K729 VanDerWaalsContact CE1-CD 3.44Å; Y697-K729 HydrophobicContact CE1-CG 4.12Å; Y697-K729 HydrophobicContact CE2-CB 4.05Å; Y697-K729 WeakPolarHBondContact CE2-O 3.17Å; Y697-K729 HydrophobicContact CG-CB 4.24Å; R725-K729 PolarHBondContact O-N 2.93Å; A726-K729 PolarHBondContact O-N 2.94Å; K729-G731 PolarHBondContact O-N 3.19Å |
| 730 | C | 87.2 | Confident | 90.2 | Very high | 40 Ų | 40 | 41.7 Ų | 41.7 | 27% | 0.27 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -0 | 175 | -161.4 | 0 | 0 | 0 | 0 | 114.5 | Y697 A726 L727 F728 K732 | Y697-C730 HydrophobicContact CD2-CB 4.23Å; Y697-C730 HydrophobicContact CG-CB 4.24Å; A726-C730 VanDerWaalsContact O-CB 3.26Å; A726-C730 WeakPolarHBondContact O-CB 3.49Å; A726-C730 PolarHBondContact O-N 3.5Å; L727-C730 PolarHBondContact O-N 2.83Å; F728-C730 PolarHBondContact O-N 3.18Å; C730-K732 HydrophobicContact CB-CG 4.35Å; C730-K732 PolarHBondContact O-N 3.36Å |
| 731 | G | 85.6 | Confident | 90.2 | Very high | 55 Ų | 55 | 45.3 Ų | 45.3 | 57% | 0.567 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 1.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | L727 F728 K729 L733 | L727-G731 PolarHBondContact O-N 3.24Å; F728-G731 PolarHBondContact O-N 3.04Å; K729-G731 PolarHBondContact O-N 3.19Å; G731-L733 PolarHBondContact O-N 3Å |
| 732 | K | 90.3 | Very high | 90.1 | Very high | 88 Ų | 88 | 49.4 Ų | 49.4 | 38% | 0.383 | 24% | 0.242 | S | C | . | . | trans | -80.1 | 54.1 | -177.2 | -68.4 | -150.4 | -179.3 | -168.6 | 0 | 113 | L727 C730 Q734 E735 C736 | L727-K732 HydrophobicContact CB-CB 4.5Å; L727-K732 HydrophobicContact CD2-CB 4.17Å; L727-K732 HydrophobicContact CD2-CD 4.1Å; L727-K732 PolarHBondContact O-N 3.12Å; C730-K732 HydrophobicContact CB-CG 4.35Å; C730-K732 PolarHBondContact O-N 3.36Å; K732-Q734 VanDerWaalsContact C-N 3.29Å; K732-Q734 PolarHBondContact O-N 2.96Å; K732-Q734 VanDerWaalsContact O-N 3.16Å; K732-E735 HydrophobicContact CB-CB 4.3Å; K732-E735 HydrophobicContact CD-CG 4.4Å; K732-E735 WeakPolarHBondContact CD-OE1 3.48Å; K732-E735 WeakPolarHBondContact CD-OE2 3.18Å; K732-E735 IonicContact NZ-OE1 2.67Å; K732-E735 PolarHBondContact NZ-OE1 3.23Å; K732-E735 IonicContact NZ-OE2 3.17Å; K732-E735 PolarHBondContact NZ-OE2 3.38Å; K732-E735 PolarHBondContact O-N 2.93Å; K732-C736 WeakPolarHBondContact O-CB 3.45Å; K732-C736 PolarHBondContact O-N 3.02Å | ||
| 733 | L | 89.1 | Confident | 89.9 | Confident | 29 Ų | 29 | 46.5 Ų | 46.5 | 15% | 0.152 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55 | -38.6 | -171.1 | -58.4 | -177.5 | 0 | 0 | 0 | 113.9 | F728 G731 K737 V760 R763 L764 | F728-L733 HydrophobicContact CD2-CD2 3.52Å; F728-L733 HydrophobicContact CE2-CD2 3.83Å; G731-L733 PolarHBondContact O-N 3Å; L733-K737 WeakPolarHBondContact O-CB 3.48Å; L733-K737 PolarHBondContact O-N 3.3Å; L733-V760 HydrophobicContact CB-CG1 4.46Å; L733-V760 WeakPolarHBondContact O-CG1 3.42Å; L733-R763 HydrophobicContact CD1-CB 3.9Å; L733-L764 HydrophobicContact CB-CB 4.33Å; L733-L764 HydrophobicContact CB-CD1 4.07Å; L733-L764 HydrophobicContact CD1-CB 4.26Å |
| 734 | Q | 89.5 | Confident | 89.7 | Confident | 72 Ų | 72 | 49.1 Ų | 49.1 | 34% | 0.336 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -76.2 | -23.1 | -179.6 | 177.7 | 52.2 | 45.9 | 0 | 0 | 113.5 | K732 K737 Q738 L764 | K732-Q734 VanDerWaalsContact C-N 3.29Å; K732-Q734 PolarHBondContact O-N 2.96Å; K732-Q734 VanDerWaalsContact O-N 3.16Å; Q734-K737 VanDerWaalsContact OE1-CE 3.26Å; Q734-Q738 WeakPolarHBondContact O-CG 3.42Å; Q734-Q738 PolarHBondContact O-NE2 3.48Å; Q734-L764 HydrophobicContact CB-CD1 3.97Å |
| 735 | E | 90.3 | Very high | 89.5 | Confident | 84 Ų | 84 | 56.7 Ų | 56.7 | 39% | 0.393 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -78.2 | -50.8 | 167.4 | -71.6 | 175.6 | -152.5 | 0 | 0 | 109.8 | L727 K732 K737 Q738 T739 | L727-E735 HydrophobicContact CD1-CB 4.4Å; L727-E735 HydrophobicContact CD2-CB 4.21Å; K732-E735 HydrophobicContact CB-CB 4.3Å; K732-E735 HydrophobicContact CD-CG 4.4Å; K732-E735 WeakPolarHBondContact CD-OE1 3.48Å; K732-E735 WeakPolarHBondContact CD-OE2 3.18Å; K732-E735 IonicContact NZ-OE1 2.67Å; K732-E735 PolarHBondContact NZ-OE1 3.23Å; K732-E735 IonicContact NZ-OE2 3.17Å; K732-E735 PolarHBondContact NZ-OE2 3.38Å; K732-E735 PolarHBondContact O-N 2.93Å; E735-K737 VanDerWaalsContact C-N 3.26Å; E735-K737 PolarHBondContact O-N 3.17Å; E735-K737 VanDerWaalsContact O-N 3.17Å; E735-Q738 WeakPolarHBondContact O-CA 3.41Å; E735-Q738 WeakPolarHBondContact O-CB 3.3Å; E735-Q738 PolarHBondContact O-N 3.19Å; E735-T739 PolarHBondContact O-N 3.18Å; E735-T739 PolarHBondContact O-OG1 3.2Å |
| 736 | C | 93.5 | Very high | 89.3 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -47 | -46.2 | 175.9 | -179 | 0 | 0 | 0 | 0 | 112.6 | A724 L727 K732 Q738 T739 L740 | A724-C736 PolarHBondContact O-SG 2.76Å; L727-C736 HydrophobicContact CB-CB 3.75Å; K732-C736 WeakPolarHBondContact O-CB 3.45Å; K732-C736 PolarHBondContact O-N 3.02Å; C736-Q738 VanDerWaalsContact C-N 3.33Å; C736-Q738 PolarHBondContact O-N 2.99Å; C736-T739 WeakPolarHBondContact O-CB 3.46Å; C736-T739 PolarHBondContact O-N 2.99Å; C736-L740 WeakPolarHBondContact O-CG 3.37Å; C736-L740 PolarHBondContact O-N 3.5Å |
| 737 | K | 90.9 | Very high | 88.9 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 3% | 0.03 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.9 | -35.5 | 177.2 | -168.2 | 171 | 66.9 | -147 | 0 | 113.7 | L733 Q734 E735 L741 V760 L761 E785 | L733-K737 WeakPolarHBondContact O-CB 3.48Å; L733-K737 PolarHBondContact O-N 3.3Å; Q734-K737 VanDerWaalsContact OE1-CE 3.26Å; E735-K737 VanDerWaalsContact C-N 3.26Å; E735-K737 PolarHBondContact O-N 3.17Å; E735-K737 VanDerWaalsContact O-N 3.17Å; K737-L741 HydrophobicContact CG-CD1 4.17Å; K737-L741 WeakPolarHBondContact O-CB 3.39Å; K737-L741 WeakPolarHBondContact O-CD1 3.41Å; K737-L741 WeakPolarHBondContact O-CG 3.42Å; K737-L741 PolarHBondContact O-N 3.25Å; K737-V760 HydrophobicContact CB-CG1 3.74Å; K737-V760 HydrophobicContact CG-CG1 4.33Å; K737-L761 HydrophobicContact CD-CD2 3.68Å; K737-L761 HydrophobicContact CD-CG 4.2Å; K737-E785 WeakPolarHBondContact CE-OE2 3.25Å; K737-E785 IonicContact NZ-OE2 3.73Å; K737-E785 PolarHBondContact NZ-OE2 3.11Å |
| 738 | Q | 91 | Very high | 88.6 | Confident | 103 Ų | 103 | 57.7 Ų | 57.7 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -72.3 | -41.4 | 177.6 | -68.6 | 172.5 | 83.7 | 0 | 0 | 110.4 | Q734 E735 C736 L741 K742 | Q734-Q738 WeakPolarHBondContact O-CG 3.42Å; Q734-Q738 PolarHBondContact O-NE2 3.48Å; E735-Q738 WeakPolarHBondContact O-CA 3.41Å; E735-Q738 WeakPolarHBondContact O-CB 3.3Å; E735-Q738 PolarHBondContact O-N 3.19Å; C736-Q738 VanDerWaalsContact C-N 3.33Å; C736-Q738 PolarHBondContact O-N 2.99Å; Q738-L741 PolarHBondContact O-N 3.25Å; Q738-K742 WeakPolarHBondContact O-CG 3.45Å; Q738-K742 PolarHBondContact O-N 3.32Å |
| 739 | T | 91.1 | Very high | 88.2 | Confident | 18 Ų | 18 | 60.2 Ų | 60.2 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.4 | -50.8 | 173.2 | -59 | 0 | 0 | 0 | 0 | 111.7 | V720 L723 A724 L727 E735 C736 L741 K742 A743 | V720-T739 HydrophobicContact CG1-CG2 3.51Å; V720-T739 VanDerWaalsContact CG1-O 3.3Å; V720-T739 WeakPolarHBondContact CG1-O 3.23Å; L723-T739 HydrophobicContact CB-CG2 4.33Å; L723-T739 HydrophobicContact CD2-CG2 3.87Å; L723-T739 HydrophobicContact CG-CG2 3.91Å; A724-T739 HydrophobicContact CB-CG2 4.22Å; L727-T739 HydrophobicContact CD1-CG2 4.31Å; L727-T739 WeakPolarHBondContact CD1-OG1 3.47Å; E735-T739 PolarHBondContact O-N 3.18Å; E735-T739 PolarHBondContact O-OG1 3.2Å; C736-T739 WeakPolarHBondContact O-CB 3.46Å; C736-T739 PolarHBondContact O-N 2.99Å; T739-L741 PolarHBondContact O-N 2.87Å; T739-K742 WeakPolarHBondContact O-CB 3.33Å; T739-K742 PolarHBondContact O-N 3.05Å; T739-K742 VanDerWaalsContact O-N 3.17Å; T739-A743 PolarHBondContact O-N 3.03Å; T739-A743 VanDerWaalsContact O-N 3.15Å |
| 740 | L | 90.2 | Very high | 88 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.4 | -36.7 | 176.7 | -71.3 | 168.1 | 0 | 0 | 0 | 113.4 | L721 A724 C736 K742 A743 R744 L753 N756 V757 V760 | L721-L740 HydrophobicContact CD1-CD2 4.32Å; A724-L740 HydrophobicContact CB-CD1 4.27Å; A724-L740 HydrophobicContact CB-CD2 3.5Å; A724-L740 HydrophobicContact CB-CG 3.6Å; C736-L740 WeakPolarHBondContact O-CG 3.37Å; C736-L740 PolarHBondContact O-N 3.5Å; L740-K742 VanDerWaalsContact C-N 3.29Å; L740-K742 PolarHBondContact O-N 3.09Å; L740-A743 PolarHBondContact O-N 3.01Å; L740-R744 WeakPolarHBondContact O-CB 3.45Å; L740-R744 PolarHBondContact O-N 3.45Å; L740-L753 HydrophobicContact CD2-CD2 3.92Å; L740-N756 HydrophobicContact CD1-CB 4.01Å; L740-N756 HydrophobicContact CD2-CB 4.04Å; L740-V757 HydrophobicContact CB-CG2 3.65Å; L740-V757 HydrophobicContact CD1-CG2 4.41Å; L740-V760 HydrophobicContact CD1-CB 4.45Å; L740-V760 HydrophobicContact CD1-CG2 3.81Å |
| 741 | L | 89.3 | Confident | 87.8 | Confident | 82 Ų | 82 | 58 Ų | 58 | 43% | 0.429 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.9 | -25.3 | 175.3 | -74.5 | 171 | 0 | 0 | 0 | 113 | K737 Q738 T739 H745 V757 | K737-L741 HydrophobicContact CG-CD1 4.17Å; K737-L741 WeakPolarHBondContact O-CB 3.39Å; K737-L741 WeakPolarHBondContact O-CD1 3.41Å; K737-L741 WeakPolarHBondContact O-CG 3.42Å; K737-L741 PolarHBondContact O-N 3.25Å; Q738-L741 PolarHBondContact O-N 3.25Å; T739-L741 PolarHBondContact O-N 2.87Å; L741-H745 PolarHBondContact O-N 3.1Å; L741-V757 HydrophobicContact CD2-CG1 4.46Å |
| 742 | K | 86.6 | Confident | 87.8 | Confident | 129 Ų | 129 | 57.1 Ų | 57.1 | 56% | 0.561 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -69.3 | -50 | 168.2 | -69.2 | 174 | 179.1 | -177.6 | 0 | 110.9 | Q738 T739 L740 R744 H745 | Q738-K742 WeakPolarHBondContact O-CG 3.45Å; Q738-K742 PolarHBondContact O-N 3.32Å; T739-K742 WeakPolarHBondContact O-CB 3.33Å; T739-K742 PolarHBondContact O-N 3.05Å; T739-K742 VanDerWaalsContact O-N 3.17Å; L740-K742 VanDerWaalsContact C-N 3.29Å; L740-K742 PolarHBondContact O-N 3.09Å; K742-R744 VanDerWaalsContact C-N 3.31Å; K742-R744 PolarHBondContact O-N 3.5Å; K742-H745 VanDerWaalsContact O-CB 3.3Å; K742-H745 WeakPolarHBondContact O-CB 3.37Å; K742-H745 PolarHBondContact O-N 3.28Å |
| 743 | A | 87.5 | Confident | 87.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.7 | -44.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | V720 T739 L740 H745 V746 A747 L753 | V720-A743 HydrophobicContact CB-CB 4.19Å; V720-A743 HydrophobicContact CG1-CB 3.67Å; T739-A743 PolarHBondContact O-N 3.03Å; T739-A743 VanDerWaalsContact O-N 3.15Å; L740-A743 PolarHBondContact O-N 3.01Å; A743-H745 PolarHBondContact O-N 2.94Å; A743-H745 VanDerWaalsContact O-N 3.15Å; A743-V746 PolarHBondContact O-N 3.15Å; A743-A747 PolarHBondContact O-N 3Å; A743-L753 HydrophobicContact CB-CD1 3.71Å; A743-L753 HydrophobicContact CB-CD2 3.65Å; A743-L753 HydrophobicContact CB-CG 4.36Å |
| 744 | R | 86.6 | Confident | 87.5 | Confident | 63 Ų | 63 | 52.4 Ų | 52.4 | 24% | 0.238 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73.1 | 0.3 | 178.8 | -143.3 | -159 | 79.3 | 171.4 | 11.5 | 114.7 | L740 K742 L753 Y792 | L740-R744 WeakPolarHBondContact O-CB 3.45Å; L740-R744 PolarHBondContact O-N 3.45Å; K742-R744 VanDerWaalsContact C-N 3.31Å; K742-R744 PolarHBondContact O-N 3.5Å; R744-L753 HydrophobicContact CB-CB 4.48Å; R744-L753 HydrophobicContact CG-CB 4.14Å; R744-Y792 VanDerWaalsContact NH1-CZ 3.29Å; R744-Y792 PolarHBondContact NH1-OH 2.96Å |
| 745 | H | 87.2 | Confident | 87.5 | Confident | 162 Ų | 162 | 50.5 Ų | 50.5 | 75% | 0.75 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -85.7 | -37.3 | 166.2 | -172.3 | -0.7 | 0 | 0 | 0 | 110.9 | L741 K742 A743 | L741-H745 PolarHBondContact O-N 3.1Å; K742-H745 VanDerWaalsContact O-CB 3.3Å; K742-H745 WeakPolarHBondContact O-CB 3.37Å; K742-H745 PolarHBondContact O-N 3.28Å; A743-H745 PolarHBondContact O-N 2.94Å; A743-H745 VanDerWaalsContact O-N 3.15Å |
| 746 | V | 84.9 | Confident | 87.4 | Confident | 59 Ų | 59 | 48.7 Ų | 48.7 | 36% | 0.358 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -77.1 | -48.3 | 177.2 | -177 | 0 | 0 | 0 | 0 | 110.6 | Q715 T717 A743 P748 | Q715-V746 HydrophobicContact CB-CG2 4.22Å; T717-V746 HydrophobicContact CG2-CB 4.43Å; T717-V746 HydrophobicContact CG2-CG1 4.46Å; A743-V746 PolarHBondContact O-N 3.15Å; V746-P748 WeakPolarHBondContact O-CD 3.37Å |
| 747 | A | 84.9 | Confident | 87.3 | Confident | 21 Ų | 21 | 48.7 Ų | 48.7 | 17% | 0.174 | 26% | 0.258 | C | S | . | . | trans | -116.1 | 85.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | T717 A743 S749 D750 L753 | T717-A747 HydrophobicContact CG2-CB 3.69Å; A743-A747 PolarHBondContact O-N 3Å; A747-S749 VanDerWaalsContact C-N 3.3Å; A747-S749 PolarHBondContact O-N 3.36Å; A747-D750 HydrophobicContact CB-CB 4.31Å; A747-L753 HydrophobicContact CB-CD1 4.22Å | ||
| 748 | P | 84.6 | Confident | 87.2 | Confident | 81 Ų | 81 | 48.4 Ų | 48.4 | 53% | 0.526 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -19.1 | 179.5 | 30 | -35.5 | 0 | 0 | 0 | 113.8 | V746 | V746-P748 WeakPolarHBondContact O-CD 3.37Š|
| 749 | S | 82.7 | Confident | 87.2 | Confident | 98 Ų | 98 | 44.5 Ų | 44.5 | 69% | 0.685 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -16.5 | -177.7 | 45.8 | 0 | 0 | 0 | 0 | 114.7 | A747 T751 M754 | A747-S749 VanDerWaalsContact C-N 3.3Å; A747-S749 PolarHBondContact O-N 3.36Å; S749-T751 PolarHBondContact O-N 2.99Å; S749-M754 WeakPolarHBondContact O-CE 3.4Å |
| 750 | D | 84.4 | Confident | 87.3 | Confident | 42 Ų | 42 | 43.8 Ų | 43.8 | 23% | 0.225 | 24% | 0.235 | C | C | . | . | trans | -69.6 | 117.7 | -174.4 | -178 | 1.4 | 0 | 0 | 0 | 112.3 | A747 V752 L753 M754 | A747-D750 HydrophobicContact CB-CB 4.31Å; D750-V752 VanDerWaalsContact C-N 3.31Å; D750-V752 PolarHBondContact O-N 3.13Å; D750-V752 WeakPolarHBondContact OD1-CB 3.32Å; D750-V752 PolarHBondContact OD1-N 3.31Å; D750-L753 HydrophobicContact CB-CB 4.18Å; D750-L753 HydrophobicContact CB-CD1 4.05Å; D750-L753 HydrophobicContact CB-CG 4.2Å; D750-L753 PolarHBondContact O-N 3.47Å; D750-L753 WeakPolarHBondContact OD2-CG 3.47Å; D750-M754 PolarHBondContact O-N 3.46Å; D750-M754 VanDerWaalsContact O-N 3.07Å | ||
| 751 | T | 84.2 | Confident | 87.3 | Confident | 21 Ų | 21 | 43.9 Ų | 43.9 | 13% | 0.129 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.3 | -33.1 | 177.7 | 54 | 0 | 0 | 0 | 0 | 112.4 | S749 M754 F755 L796 | S749-T751 PolarHBondContact O-N 2.99Å; T751-M754 PolarHBondContact O-N 2.69Å; T751-F755 WeakPolarHBondContact O-CB 3.45Å; T751-F755 PolarHBondContact O-N 3.3Å; T751-L796 HydrophobicContact CG2-CD2 4.26Å |
| 752 | V | 84.9 | Confident | 87.3 | Confident | 36 Ų | 36 | 40.4 Ų | 40.4 | 22% | 0.218 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.7 | -42.1 | 179 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | L721 D750 F755 N756 | L721-V752 HydrophobicContact CD2-CG1 4.14Å; D750-V752 VanDerWaalsContact C-N 3.31Å; D750-V752 PolarHBondContact O-N 3.13Å; D750-V752 WeakPolarHBondContact OD1-CB 3.32Å; D750-V752 PolarHBondContact OD1-N 3.31Å; V752-F755 PolarHBondContact O-N 2.78Å; V752-N756 WeakPolarHBondContact CG1-ND2 3.43Å; V752-N756 WeakPolarHBondContact O-CB 3.29Å; V752-N756 PolarHBondContact O-N 3.09Å; V752-N756 PolarHBondContact O-ND2 2.86Å |
| 753 | L | 87.6 | Confident | 87.5 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66 | -38.9 | 172.8 | -72 | 175.4 | 0 | 0 | 0 | 111.9 | T717 L721 L740 A743 R744 A747 D750 V757 | T717-L753 HydrophobicContact CG2-CD1 4.35Å; L721-L753 HydrophobicContact CD1-CD2 4.37Å; L740-L753 HydrophobicContact CD2-CD2 3.92Å; A743-L753 HydrophobicContact CB-CD1 3.71Å; A743-L753 HydrophobicContact CB-CD2 3.65Å; A743-L753 HydrophobicContact CB-CG 4.36Å; R744-L753 HydrophobicContact CB-CB 4.48Å; R744-L753 HydrophobicContact CG-CB 4.14Å; A747-L753 HydrophobicContact CB-CD1 4.22Å; D750-L753 HydrophobicContact CB-CB 4.18Å; D750-L753 HydrophobicContact CB-CD1 4.05Å; D750-L753 HydrophobicContact CB-CG 4.2Å; D750-L753 PolarHBondContact O-N 3.47Å; D750-L753 WeakPolarHBondContact OD2-CG 3.47Å; L753-V757 WeakPolarHBondContact O-CB 3.24Å; L753-V757 VanDerWaalsContact O-CG2 3.25Å; L753-V757 WeakPolarHBondContact O-CG2 3.44Å; L753-V757 PolarHBondContact O-N 3.26Å |
| 754 | M | 86.6 | Confident | 87.6 | Confident | 18 Ų | 18 | 41.6 Ų | 41.6 | 9% | 0.089 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 174.1 | -75.9 | -171.1 | -101.9 | 0 | 0 | 112.4 | S749 D750 T751 V757 A758 Y795 L796 | S749-M754 WeakPolarHBondContact O-CE 3.4Å; D750-M754 PolarHBondContact O-N 3.46Å; D750-M754 VanDerWaalsContact O-N 3.07Å; T751-M754 PolarHBondContact O-N 2.69Å; M754-V757 PolarHBondContact O-N 3.45Å; M754-A758 PolarHBondContact O-N 2.76Å; M754-A758 VanDerWaalsContact O-N 3.08Å; M754-Y795 HydrophobicContact CE-CE1 4.47Å; M754-Y795 HydrophobicContact SD-CD1 4.41Å; M754-Y795 HydrophobicContact SD-CE1 4.09Å; M754-L796 HydrophobicContact CB-CD1 4.24Å; M754-L796 HydrophobicContact CB-CD2 4.12Å |
| 755 | F | 87.8 | Confident | 87.6 | Confident | 31 Ų | 31 | 38.6 Ų | 38.6 | 14% | 0.136 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -48.8 | 178.1 | 179.8 | -99.4 | 0 | 0 | 0 | 112 | T751 V752 V757 A758 L759 F793 L796 F805 | T751-F755 WeakPolarHBondContact O-CB 3.45Å; T751-F755 PolarHBondContact O-N 3.3Å; V752-F755 PolarHBondContact O-N 2.78Å; F755-V757 VanDerWaalsContact C-N 3.32Å; F755-V757 PolarHBondContact O-N 3.13Å; F755-A758 WeakPolarHBondContact O-CB 3.27Å; F755-A758 PolarHBondContact O-N 2.97Å; F755-A758 VanDerWaalsContact O-N 3.08Å; F755-L759 HydrophobicContact CE1-CD2 4.19Å; F755-L759 PolarHBondContact O-N 3.38Å; F755-F793 HydrophobicContact CD2-CD1 4.01Å; F755-F793 AromaticContact CD2-CE1 3.63Å; F755-F793 HydrophobicContact CD2-CE1 3.63Å; F755-F793 HydrophobicContact CE2-CD1 4.06Å; F755-F793 AromaticContact CE2-CE1 3.52Å; F755-F793 HydrophobicContact CE2-CE1 3.52Å; F755-F793 HydrophobicContact CZ-CE1 4.38Å; F755-L796 HydrophobicContact CB-CD1 3.87Å; F755-L796 HydrophobicContact CD2-CD1 4.28Å; F755-F805 HydrophobicContact CB-CD2 4.48Å; F755-F805 HydrophobicContact CB-CE2 4.13Å; F755-F805 AromaticContact CD1-CE2 3.84Å; F755-F805 HydrophobicContact CD1-CE2 3.84Å; F755-F805 HydrophobicContact CD2-CD2 4.35Å; F755-F805 HydrophobicContact CD2-CE1 4.43Å; F755-F805 AromaticContact CD2-CE2 3.28Å; F755-F805 HydrophobicContact CD2-CE2 3.28Å; F755-F805 AromaticContact CD2-CZ 3.34Å; F755-F805 HydrophobicContact CD2-CZ 3.34Å; F755-F805 HydrophobicContact CE1-CE2 4.06Å; F755-F805 AromaticContact CE2-CE2 3.52Å; F755-F805 HydrophobicContact CE2-CE2 3.52Å; F755-F805 AromaticContact CE2-CZ 3.44Å; F755-F805 HydrophobicContact CE2-CZ 3.44Å; F755-F805 VanDerWaalsContact CE2-CZ 3.44Å; F755-F805 HydrophobicContact CG-CD2 4.22Å; F755-F805 AromaticContact CG-CE2 3.45Å; F755-F805 HydrophobicContact CG-CE2 3.45Å; F755-F805 VanDerWaalsContact CG-CE2 3.45Å; F755-F805 HydrophobicContact CG-CZ 4.02Å; F755-F805 AromaticContact CZ-CE2 3.91Å; F755-F805 HydrophobicContact CZ-CE2 3.91Å; F755-F805 HydrophobicContact CZ-CZ 4.18Å |
| 756 | N | 89.8 | Confident | 87.6 | Confident | 46 Ų | 46 | 32.3 Ų | 32.3 | 25% | 0.246 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.6 | -35.2 | -179.8 | -76.5 | -70.2 | 0 | 0 | 0 | 112.3 | L740 V752 V760 | L740-N756 HydrophobicContact CD1-CB 4.01Å; L740-N756 HydrophobicContact CD2-CB 4.04Å; V752-N756 WeakPolarHBondContact CG1-ND2 3.43Å; V752-N756 WeakPolarHBondContact O-CB 3.29Å; V752-N756 PolarHBondContact O-N 3.09Å; V752-N756 PolarHBondContact O-ND2 2.86Å; N756-V760 WeakPolarHBondContact O-CB 3.16Å; N756-V760 VanDerWaalsContact O-CG2 3.23Å; N756-V760 WeakPolarHBondContact O-CG2 3.38Å; N756-V760 PolarHBondContact O-N 3.16Å |
| 757 | V | 90 | Very high | 87.7 | Confident | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 171.5 | 167.8 | 0 | 0 | 0 | 0 | 111.4 | L740 L741 L753 M754 F755 L761 Y792 | L740-V757 HydrophobicContact CB-CG2 3.65Å; L740-V757 HydrophobicContact CD1-CG2 4.41Å; L741-V757 HydrophobicContact CD2-CG1 4.46Å; L753-V757 WeakPolarHBondContact O-CB 3.24Å; L753-V757 VanDerWaalsContact O-CG2 3.25Å; L753-V757 WeakPolarHBondContact O-CG2 3.44Å; L753-V757 PolarHBondContact O-N 3.26Å; M754-V757 PolarHBondContact O-N 3.45Å; F755-V757 VanDerWaalsContact C-N 3.32Å; F755-V757 PolarHBondContact O-N 3.13Å; V757-L761 HydrophobicContact CG1-CD1 3.84Å; V757-L761 HydrophobicContact CG1-CG 4.46Å; V757-L761 WeakPolarHBondContact O-CB 3.43Å; V757-L761 WeakPolarHBondContact O-CD1 3.49Å; V757-L761 VanDerWaalsContact O-CG 3.23Å; V757-L761 WeakPolarHBondContact O-CG 3.3Å; V757-L761 PolarHBondContact O-N 3.35Å; V757-Y792 HydrophobicContact CG1-CE2 4.16Å |
| 758 | A | 90 | Very high | 87.7 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.1 | -46.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M754 F755 V760 L761 Q762 A789 Y792 F793 | M754-A758 PolarHBondContact O-N 2.76Å; M754-A758 VanDerWaalsContact O-N 3.08Å; F755-A758 WeakPolarHBondContact O-CB 3.27Å; F755-A758 PolarHBondContact O-N 2.97Å; F755-A758 VanDerWaalsContact O-N 3.08Å; A758-V760 VanDerWaalsContact C-N 3.34Å; A758-V760 PolarHBondContact O-N 3.43Å; A758-L761 WeakPolarHBondContact O-CB 3.39Å; A758-L761 PolarHBondContact O-N 2.86Å; A758-L761 VanDerWaalsContact O-N 3.16Å; A758-Q762 WeakPolarHBondContact O-CB 3.5Å; A758-Q762 PolarHBondContact O-N 2.9Å; A758-A789 HydrophobicContact CB-CB 4.4Å; A758-A789 WeakPolarHBondContact O-CB 3.42Å; A758-Y792 HydrophobicContact CB-CD2 4.35Å; A758-F793 HydrophobicContact CB-CD1 3.89Å; A758-F793 HydrophobicContact CB-CD2 4.22Å; A758-F793 HydrophobicContact CB-CE1 3.51Å; A758-F793 HydrophobicContact CB-CE2 3.88Å; A758-F793 HydrophobicContact CB-CG 4.24Å; A758-F793 HydrophobicContact CB-CZ 3.53Å |
| 759 | L | 90.1 | Very high | 87.6 | Confident | 21 Ų | 21 | 28.6 Ų | 28.6 | 11% | 0.11 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.9 | -39.1 | 177.8 | -175.5 | 64.9 | 0 | 0 | 0 | 112.7 | F728 F755 R763 F793 | F728-L759 HydrophobicContact CE1-CD2 4.44Å; F728-L759 HydrophobicContact CZ-CD2 3.93Å; F728-L759 HydrophobicContact CZ-CG 4.06Å; F755-L759 HydrophobicContact CE1-CD2 4.19Å; F755-L759 PolarHBondContact O-N 3.38Å; L759-R763 PolarHBondContact O-N 3.24Å; L759-F793 HydrophobicContact CB-CZ 4.38Å |
| 760 | V | 93.1 | Very high | 87.5 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.1 | -36.8 | 175.6 | 174.4 | 0 | 0 | 0 | 0 | 112 | F728 L733 K737 L740 N756 A758 L764 | F728-V760 HydrophobicContact CD2-CG2 3.72Å; F728-V760 HydrophobicContact CE2-CG2 3.85Å; L733-V760 HydrophobicContact CB-CG1 4.46Å; L733-V760 WeakPolarHBondContact O-CG1 3.42Å; K737-V760 HydrophobicContact CB-CG1 3.74Å; K737-V760 HydrophobicContact CG-CG1 4.33Å; L740-V760 HydrophobicContact CD1-CB 4.45Å; L740-V760 HydrophobicContact CD1-CG2 3.81Å; N756-V760 WeakPolarHBondContact O-CB 3.16Å; N756-V760 VanDerWaalsContact O-CG2 3.23Å; N756-V760 WeakPolarHBondContact O-CG2 3.38Å; N756-V760 PolarHBondContact O-N 3.16Å; A758-V760 VanDerWaalsContact C-N 3.34Å; A758-V760 PolarHBondContact O-N 3.43Å; V760-L764 WeakPolarHBondContact O-CB 3.3Å; V760-L764 PolarHBondContact O-N 3.1Å; V760-L764 VanDerWaalsContact O-N 3.12Å |
| 761 | L | 91.3 | Very high | 87.2 | Confident | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.5 | -46.7 | 173.2 | -76.7 | 165.2 | 0 | 0 | 0 | 111.3 | K737 V757 A758 L764 A765 E785 L788 A789 Y792 | K737-L761 HydrophobicContact CD-CD2 3.68Å; K737-L761 HydrophobicContact CD-CG 4.2Å; V757-L761 HydrophobicContact CG1-CD1 3.84Å; V757-L761 HydrophobicContact CG1-CG 4.46Å; V757-L761 WeakPolarHBondContact O-CB 3.43Å; V757-L761 WeakPolarHBondContact O-CD1 3.49Å; V757-L761 VanDerWaalsContact O-CG 3.23Å; V757-L761 WeakPolarHBondContact O-CG 3.3Å; V757-L761 PolarHBondContact O-N 3.35Å; A758-L761 WeakPolarHBondContact O-CB 3.39Å; A758-L761 PolarHBondContact O-N 2.86Å; A758-L761 VanDerWaalsContact O-N 3.16Å; L761-L764 PolarHBondContact O-N 3.32Å; L761-A765 WeakPolarHBondContact O-CB 3.39Å; L761-A765 PolarHBondContact O-N 3.04Å; L761-E785 HydrophobicContact CD2-CB 3.75Å; L761-E785 HydrophobicContact CD2-CG 3.74Å; L761-E785 VanDerWaalsContact CD2-OE2 3.25Å; L761-E785 WeakPolarHBondContact CD2-OE2 3.34Å; L761-L788 HydrophobicContact CD1-CD2 4.15Å; L761-L788 HydrophobicContact CD1-CG 4.26Å; L761-A789 HydrophobicContact CB-CB 3.91Å; L761-Y792 HydrophobicContact CD1-CD2 4.32Å; L761-Y792 HydrophobicContact CD1-CE2 4.17Å |
| 762 | Q | 89.8 | Confident | 86.2 | Confident | 9 Ų | 9 | 39.3 Ų | 39.3 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.4 | -52.1 | 178.1 | 179.9 | -169.6 | 10.3 | 0 | 0 | 111.9 | A758 L764 A765 T766 L786 A789 F793 E813 L820 | A758-Q762 WeakPolarHBondContact O-CB 3.5Å; A758-Q762 PolarHBondContact O-N 2.9Å; Q762-L764 VanDerWaalsContact C-N 3.34Å; Q762-L764 PolarHBondContact O-N 3.34Å; Q762-A765 PolarHBondContact O-N 2.92Å; Q762-T766 WeakPolarHBondContact O-CB 3.34Å; Q762-T766 PolarHBondContact O-N 2.93Å; Q762-T766 PolarHBondContact O-OG1 3.18Å; Q762-L786 HydrophobicContact CB-CD1 4.48Å; Q762-L786 HydrophobicContact CG-CD1 4.25Å; Q762-A789 HydrophobicContact CB-CB 4.32Å; Q762-F793 HydrophobicContact CB-CE2 4.35Å; Q762-E813 PolarHBondContact NE2-OE2 3.01Å; Q762-E813 PolarHBondContact OE1-OE2 3.04Å; Q762-L820 HydrophobicContact CG-CD1 4.24Å |
| 763 | R | 89.9 | Confident | 85.5 | Confident | 134 Ų | 134 | 47.2 Ų | 47.2 | 51% | 0.506 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.6 | -38 | 179 | -72.3 | -163.6 | -178.6 | -170.2 | -3 | 112.9 | L733 L759 T766 S767 | L733-R763 HydrophobicContact CD1-CB 3.9Å; L759-R763 PolarHBondContact O-N 3.24Å; R763-T766 PolarHBondContact O-N 3.28Å; R763-S767 PolarHBondContact O-N 3.19Å |
| 764 | L | 89.3 | Confident | 84.8 | Confident | 20 Ų | 20 | 48.3 Ų | 48.3 | 11% | 0.105 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.2 | -30.2 | 177.3 | -178.1 | 146 | 0 | 0 | 0 | 112.6 | L733 Q734 V760 L761 Q762 S767 V768 | L733-L764 HydrophobicContact CB-CB 4.33Å; L733-L764 HydrophobicContact CB-CD1 4.07Å; L733-L764 HydrophobicContact CD1-CB 4.26Å; Q734-L764 HydrophobicContact CB-CD1 3.97Å; V760-L764 WeakPolarHBondContact O-CB 3.3Å; V760-L764 PolarHBondContact O-N 3.1Å; V760-L764 VanDerWaalsContact O-N 3.12Å; L761-L764 PolarHBondContact O-N 3.32Å; Q762-L764 VanDerWaalsContact C-N 3.34Å; Q762-L764 PolarHBondContact O-N 3.34Å; L764-S767 PolarHBondContact O-OG 2.68Å; L764-V768 WeakPolarHBondContact O-CG2 3.46Å |
| 765 | A | 87.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.4 | -44 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L761 Q762 S767 V768 L769 A782 L786 | L761-A765 WeakPolarHBondContact O-CB 3.39Å; L761-A765 PolarHBondContact O-N 3.04Å; Q762-A765 PolarHBondContact O-N 2.92Å; A765-S767 VanDerWaalsContact C-N 3.33Å; A765-S767 PolarHBondContact O-N 3.37Å; A765-V768 PolarHBondContact O-N 2.85Å; A765-L769 WeakPolarHBondContact O-CB 3.13Å; A765-L769 VanDerWaalsContact O-CG 3.25Å; A765-L769 WeakPolarHBondContact O-CG 3.31Å; A765-L769 PolarHBondContact O-N 2.97Å; A765-A782 HydrophobicContact CB-CB 4.15Å; A765-L786 HydrophobicContact CB-CB 3.89Å; A765-L786 HydrophobicContact CB-CD1 4.32Å |
| 766 | T | 86.7 | Confident | 84.4 | Confident | 30 Ų | 30 | 51 Ų | 51 | 18% | 0.184 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -38.4 | -179.5 | -53.2 | 0 | 0 | 0 | 0 | 112.5 | Q762 R763 K770 L820 | Q762-T766 WeakPolarHBondContact O-CB 3.34Å; Q762-T766 PolarHBondContact O-N 2.93Å; Q762-T766 PolarHBondContact O-OG1 3.18Å; R763-T766 PolarHBondContact O-N 3.28Å; T766-K770 HydrophobicContact CG2-CD 4.28Å; T766-K770 WeakPolarHBondContact O-CB 3.43Å; T766-K770 WeakPolarHBondContact O-CG 3.45Å; T766-K770 PolarHBondContact O-N 2.64Å; T766-K770 VanDerWaalsContact O-N 3.1Å; T766-L820 HydrophobicContact CG2-CD2 4.16Å; T766-L820 WeakPolarHBondContact OG1-CD1 3.45Å |
| 767 | S | 85.7 | Confident | 84.3 | Confident | 49 Ų | 49 | 52.4 Ų | 52.4 | 34% | 0.343 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.9 | -52.4 | 175.1 | 63.6 | 0 | 0 | 0 | 0 | 111.3 | R763 L764 A765 L769 K770 D771 | R763-S767 PolarHBondContact O-N 3.19Å; L764-S767 PolarHBondContact O-OG 2.68Å; A765-S767 VanDerWaalsContact C-N 3.33Å; A765-S767 PolarHBondContact O-N 3.37Å; S767-L769 PolarHBondContact O-N 3.01Å; S767-K770 PolarHBondContact O-N 3.34Å; S767-D771 PolarHBondContact O-N 2.99Å |
| 768 | V | 85.7 | Confident | 84 | Confident | 27 Ų | 27 | 55.8 Ų | 55.8 | 16% | 0.164 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.4 | -30.7 | -179 | 175.1 | 0 | 0 | 0 | 0 | 112.5 | L764 A765 S774 E778 A782 | L764-V768 WeakPolarHBondContact O-CG2 3.46Å; A765-V768 PolarHBondContact O-N 2.85Å; V768-S774 WeakPolarHBondContact O-CB 3.43Å; V768-S774 PolarHBondContact O-OG 3.27Å; V768-E778 HydrophobicContact CG1-CB 4.25Å; V768-A782 HydrophobicContact CB-CB 4.05Å; V768-A782 HydrophobicContact CG1-CB 3.92Å |
| 769 | L | 82.5 | Confident | 83.8 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -75 | -34.7 | 174.5 | -68.9 | 168.6 | 0 | 0 | 0 | 112.6 | A765 S767 V779 L786 A824 H827 | A765-L769 WeakPolarHBondContact O-CB 3.13Å; A765-L769 VanDerWaalsContact O-CG 3.25Å; A765-L769 WeakPolarHBondContact O-CG 3.31Å; A765-L769 PolarHBondContact O-N 2.97Å; S767-L769 PolarHBondContact O-N 3.01Å; L769-V779 HydrophobicContact CD2-CG1 4.08Å; L769-L786 HydrophobicContact CD1-CD2 4.29Å; L769-A824 HydrophobicContact CD1-CB 3.83Å; L769-A824 HydrophobicContact CD2-CB 3.72Å; L769-A824 HydrophobicContact CG-CB 4.46Å; L769-H827 HydrophobicContact CD2-CB 3.86Å; L769-H827 PolarHBondContact O-CE1 3.47Å; L769-H827 PolarHBondContact O-ND1 3.16Å |
| 770 | K | 79.6 | Confident | 83.7 | Confident | 160 Ų | 160 | 57.6 Ų | 57.6 | 70% | 0.696 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -77.7 | -27.4 | 175.7 | -73.3 | -175.3 | 176.9 | -167.6 | 0 | 113.6 | T766 S767 E772 | T766-K770 HydrophobicContact CG2-CD 4.28Å; T766-K770 WeakPolarHBondContact O-CB 3.43Å; T766-K770 WeakPolarHBondContact O-CG 3.45Å; T766-K770 PolarHBondContact O-N 2.64Å; T766-K770 VanDerWaalsContact O-N 3.1Å; S767-K770 PolarHBondContact O-N 3.34Å; K770-E772 PolarHBondContact O-N 3.38Å |
| 771 | D | 78.4 | Confident | 83.5 | Confident | 93 Ų | 93 | 57.8 Ų | 57.8 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | trans | -66.7 | 117.1 | -178.6 | -71.5 | -33.8 | 0 | 0 | 0 | 111.7 | S767 K773 S774 | S767-D771 PolarHBondContact O-N 2.99Å; D771-K773 PolarHBondContact O-N 2.87Å; D771-K773 VanDerWaalsContact O-N 3.16Å; D771-S774 WeakPolarHBondContact CB-OG 3.42Å; D771-S774 WeakPolarHBondContact O-CB 3.28Å; D771-S774 PolarHBondContact O-N 2.84Å; D771-S774 PolarHBondContact O-OG 3.48Å | ||
| 772 | E | 64.9 | Low | 83.4 | Confident | 133 Ų | 133 | 57.7 Ų | 57.7 | 62% | 0.621 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -15.3 | -171.2 | -64.3 | -157 | 115.8 | 0 | 0 | 115.8 | K770 R830 | K770-E772 PolarHBondContact O-N 3.38Å; E772-R830 PolarHBondContact O-NH2 2.59Å; E772-R830 IonicContact OE1-NH2 3.72Å |
| 773 | K | 68.4 | Low | 83.3 | Confident | 202 Ų | 202 | 58.3 Ų | 58.3 | 88% | 0.878 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | 24.1 | -175.7 | -60.5 | -176.4 | 179.5 | -179.8 | 0 | 112.1 | D771 N775 | D771-K773 PolarHBondContact O-N 2.87Å; D771-K773 VanDerWaalsContact O-N 3.16Å; K773-N775 PolarHBondContact O-N 3.22Å |
| 774 | S | 74.6 | Confident | 83.3 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 16% | 0.161 | 27% | 0.273 | C | S | . | . | trans | -72.8 | 117.2 | -176.2 | -80.4 | 0 | 0 | 0 | 0 | 113.2 | V768 D771 L776 | V768-S774 WeakPolarHBondContact O-CB 3.43Å; V768-S774 PolarHBondContact O-OG 3.27Å; D771-S774 WeakPolarHBondContact CB-OG 3.42Å; D771-S774 WeakPolarHBondContact O-CB 3.28Å; D771-S774 PolarHBondContact O-N 2.84Å; D771-S774 PolarHBondContact O-OG 3.48Å; S774-L776 PolarHBondContact O-N 3.1Å | ||
| 775 | N | 81.8 | Confident | 83.4 | Confident | 78 Ų | 78 | 54.9 Ų | 54.9 | 42% | 0.417 | 27% | 0.27 | S | S | . | . | trans | -56.3 | 134.8 | 172.3 | 176.4 | -68.5 | 0 | 0 | 0 | 111.4 | K773 K777 E778 V779 | K773-N775 PolarHBondContact O-N 3.22Å; N775-K777 PolarHBondContact O-N 3.43Å; N775-K777 WeakPolarHBondContact OD1-CB 3.36Å; N775-K777 PolarHBondContact OD1-N 2.92Å; N775-E778 HydrophobicContact CB-CG 4.38Å; N775-E778 WeakPolarHBondContact O-CA 3.23Å; N775-E778 PolarHBondContact O-N 2.96Å; N775-V779 PolarHBondContact O-N 3.01Å; N775-V779 VanDerWaalsContact O-N 3.13Å | ||
| 776 | L | 83.6 | Confident | 83.5 | Confident | 27 Ų | 27 | 54.9 Ų | 54.9 | 14% | 0.141 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -45.1 | -42.1 | 179.7 | 173.7 | 60.4 | 0 | 0 | 0 | 113.7 | S774 E778 V779 L780 A831 R832 D835 | S774-L776 PolarHBondContact O-N 3.1Å; L776-E778 VanDerWaalsContact C-N 3.26Å; L776-E778 PolarHBondContact O-N 3.48Å; L776-V779 PolarHBondContact O-N 3.24Å; L776-L780 HydrophobicContact CD1-CD1 3.9Å; L776-L780 HydrophobicContact CD1-CG 3.99Å; L776-L780 HydrophobicContact CG-CD1 4.01Å; L776-L780 HydrophobicContact CG-CG 4.5Å; L776-L780 WeakPolarHBondContact O-CB 3.44Å; L776-L780 WeakPolarHBondContact O-CG 3.43Å; L776-L780 PolarHBondContact O-N 2.63Å; L776-A831 HydrophobicContact CB-CB 4.22Å; L776-A831 HydrophobicContact CD1-CB 3.97Å; L776-R832 HydrophobicContact CD1-CG 3.84Å; L776-R832 HydrophobicContact CD2-CG 4.3Å; L776-D835 HydrophobicContact CB-CB 4.1Å; L776-D835 HydrophobicContact CD2-CB 3.72Å |
| 777 | K | 86.8 | Confident | 83.8 | Confident | 76 Ų | 76 | 56 Ų | 56 | 33% | 0.33 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -71.2 | -22.8 | -178.2 | -170.5 | 56.9 | -172 | 162.5 | 0 | 112.7 | N775 N781 K935 K936 R937 | N775-K777 PolarHBondContact O-N 3.43Å; N775-K777 WeakPolarHBondContact OD1-CB 3.36Å; N775-K777 PolarHBondContact OD1-N 2.92Å; K777-N781 WeakPolarHBondContact O-CB 3.23Å; K777-N781 PolarHBondContact O-N 2.75Å; K777-N781 PolarHBondContact O-ND2 2.63Å; K777-K935 WeakPolarHBondContact CE-O 3.47Å; K777-K935 VanDerWaalsContact CG-O 3.28Å; K777-K935 WeakPolarHBondContact CG-O 3.25Å; K777-K936 WeakPolarHBondContact CE-O 3.49Å; K777-K936 PolarHBondContact NZ-O 3.15Å; K777-R937 PolarHBondContact NZ-O 2.97Å |
| 778 | E | 85.1 | Confident | 84 | Confident | 74 Ų | 74 | 55.1 Ų | 55.1 | 35% | 0.346 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -83.5 | -38.4 | 173.7 | -54.1 | -144.7 | 83.8 | 0 | 0 | 111.5 | V768 N775 L776 N781 A782 K935 | V768-E778 HydrophobicContact CG1-CB 4.25Å; N775-E778 HydrophobicContact CB-CG 4.38Å; N775-E778 WeakPolarHBondContact O-CA 3.23Å; N775-E778 PolarHBondContact O-N 2.96Å; L776-E778 VanDerWaalsContact C-N 3.26Å; L776-E778 PolarHBondContact O-N 3.48Å; E778-N781 CarbonylContact O-C 3.57Å; E778-N781 WeakPolarHBondContact O-CA 3.45Å; E778-N781 WeakPolarHBondContact O-CB 3.39Å; E778-N781 PolarHBondContact O-N 3.12Å; E778-N781 VanDerWaalsContact O-N 3.08Å; E778-A782 PolarHBondContact O-N 2.82Å; E778-K935 HydrophobicContact CG-CD 4.07Å; E778-K935 WeakPolarHBondContact OE1-CD 3.39Å; E778-K935 WeakPolarHBondContact OE1-CE 3.4Å; E778-K935 IonicContact OE1-NZ 2.59Å; E778-K935 PolarHBondContact OE1-NZ 3.36Å; E778-K935 IonicContact OE2-NZ 3.98Å; E778-K935 PolarHBondContact OE2-NZ 2.93Å |
| 779 | V | 85.8 | Confident | 84.3 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.8 | -49.8 | 171.4 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | L769 N775 L776 N781 A782 V783 H827 V828 A831 | L769-V779 HydrophobicContact CD2-CG1 4.08Å; N775-V779 PolarHBondContact O-N 3.01Å; N775-V779 VanDerWaalsContact O-N 3.13Å; L776-V779 PolarHBondContact O-N 3.24Å; V779-N781 PolarHBondContact O-N 3.09Å; V779-N781 VanDerWaalsContact O-N 3.15Å; V779-A782 WeakPolarHBondContact O-CB 3.46Å; V779-A782 PolarHBondContact O-N 2.88Å; V779-A782 VanDerWaalsContact O-N 3.08Å; V779-V783 PolarHBondContact O-N 3.06Å; V779-H827 HydrophobicContact CG1-CB 4.36Å; V779-V828 HydrophobicContact CG1-CG2 3.77Å; V779-A831 HydrophobicContact CB-CB 4.32Å; V779-A831 HydrophobicContact CG2-CB 3.97Å |
| 780 | L | 87.5 | Confident | 84.8 | Confident | 56 Ų | 56 | 56.1 Ų | 56.1 | 29% | 0.293 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.4 | -23.5 | 175.6 | -71.1 | 172.6 | 0 | 0 | 0 | 113.4 | L776 K784 V828 | L776-L780 HydrophobicContact CD1-CD1 3.9Å; L776-L780 HydrophobicContact CD1-CG 3.99Å; L776-L780 HydrophobicContact CG-CD1 4.01Å; L776-L780 HydrophobicContact CG-CG 4.5Å; L776-L780 WeakPolarHBondContact O-CB 3.44Å; L776-L780 WeakPolarHBondContact O-CG 3.43Å; L776-L780 PolarHBondContact O-N 2.63Å; L780-K784 WeakPolarHBondContact O-CD 3.31Å; L780-K784 WeakPolarHBondContact O-CG 3.17Å; L780-V828 HydrophobicContact CD2-CG1 4.05Å; L780-V828 HydrophobicContact CD2-CG2 4.27Å |
| 781 | N | 88.5 | Confident | 85.3 | Confident | 7 Ų | 7 | 53.3 Ų | 53.3 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -85.3 | -33.6 | 175.1 | -74.3 | -25 | 0 | 0 | 0 | 111.9 | K777 E778 V779 K784 E785 K935 K936 R937 | K777-N781 WeakPolarHBondContact O-CB 3.23Å; K777-N781 PolarHBondContact O-N 2.75Å; K777-N781 PolarHBondContact O-ND2 2.63Å; E778-N781 CarbonylContact O-C 3.57Å; E778-N781 WeakPolarHBondContact O-CA 3.45Å; E778-N781 WeakPolarHBondContact O-CB 3.39Å; E778-N781 PolarHBondContact O-N 3.12Å; E778-N781 VanDerWaalsContact O-N 3.08Å; V779-N781 PolarHBondContact O-N 3.09Å; V779-N781 VanDerWaalsContact O-N 3.15Å; N781-K784 PolarHBondContact O-N 3.27Å; N781-E785 WeakPolarHBondContact O-CG 3.44Å; N781-E785 PolarHBondContact O-N 2.67Å; N781-E785 VanDerWaalsContact O-N 3.1Å; N781-K935 PolarHBondContact ND2-O 2.84Å; N781-K936 PolarHBondContact ND2-O 3.21Å; N781-K936 PolarHBondContact OD1-O 3.42Å; N781-R937 VanDerWaalsContact OD1-CB 3.22Å; N781-R937 WeakPolarHBondContact OD1-CB 3.45Å |
| 782 | A | 88.4 | Confident | 85.8 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 2% | 0.017 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A765 V768 E778 V779 K784 E785 L786 | A765-A782 HydrophobicContact CB-CB 4.15Å; V768-A782 HydrophobicContact CB-CB 4.05Å; V768-A782 HydrophobicContact CG1-CB 3.92Å; E778-A782 PolarHBondContact O-N 2.82Å; V779-A782 WeakPolarHBondContact O-CB 3.46Å; V779-A782 PolarHBondContact O-N 2.88Å; V779-A782 VanDerWaalsContact O-N 3.08Å; A782-K784 VanDerWaalsContact C-N 3.31Å; A782-K784 PolarHBondContact O-N 2.95Å; A782-E785 WeakPolarHBondContact O-CA 3.32Å; A782-E785 WeakPolarHBondContact O-CB 3.45Å; A782-E785 PolarHBondContact O-N 3.12Å; A782-L786 WeakPolarHBondContact O-CB 3.4Å; A782-L786 PolarHBondContact O-N 3.07Å |
| 783 | V | 89.1 | Confident | 87 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 13% | 0.127 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.6 | -48.1 | 173.6 | 176.3 | 0 | 0 | 0 | 0 | 111 | V779 E785 L786 E787 L821 A824 V828 | V779-V783 PolarHBondContact O-N 3.06Å; V783-E785 PolarHBondContact O-N 3.44Å; V783-L786 PolarHBondContact O-N 2.9Å; V783-L786 VanDerWaalsContact O-N 3.12Å; V783-E787 PolarHBondContact O-N 3.39Å; V783-L821 HydrophobicContact CG1-CD2 4.21Å; V783-A824 HydrophobicContact CG2-CB 3.87Å; V783-V828 HydrophobicContact CG2-CG2 3.91Å |
| 784 | K | 89.6 | Confident | 87.9 | Confident | 72 Ų | 72 | 37 Ų | 37 | 31% | 0.313 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -69.9 | -11.9 | 178.8 | -65.9 | 178.5 | 178.1 | -151.8 | 0 | 114.4 | L780 N781 A782 R938 | L780-K784 WeakPolarHBondContact O-CD 3.31Å; L780-K784 WeakPolarHBondContact O-CG 3.17Å; N781-K784 PolarHBondContact O-N 3.27Å; A782-K784 VanDerWaalsContact C-N 3.31Å; A782-K784 PolarHBondContact O-N 2.95Å; K784-R938 PolarHBondContact NZ-O 2.69Å |
| 785 | E | 90.3 | Very high | 88.6 | Confident | 10 Ų | 10 | 41.3 Ų | 41.3 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -90.4 | -37.8 | 170.2 | -75.4 | -172.6 | -111.2 | 0 | 0 | 111.5 | K737 L761 N781 A782 V783 L788 A789 R937 | K737-E785 WeakPolarHBondContact CE-OE2 3.25Å; K737-E785 IonicContact NZ-OE2 3.73Å; K737-E785 PolarHBondContact NZ-OE2 3.11Å; L761-E785 HydrophobicContact CD2-CB 3.75Å; L761-E785 HydrophobicContact CD2-CG 3.74Å; L761-E785 VanDerWaalsContact CD2-OE2 3.25Å; L761-E785 WeakPolarHBondContact CD2-OE2 3.34Å; N781-E785 WeakPolarHBondContact O-CG 3.44Å; N781-E785 PolarHBondContact O-N 2.67Å; N781-E785 VanDerWaalsContact O-N 3.1Å; A782-E785 WeakPolarHBondContact O-CA 3.32Å; A782-E785 WeakPolarHBondContact O-CB 3.45Å; A782-E785 PolarHBondContact O-N 3.12Å; V783-E785 PolarHBondContact O-N 3.44Å; E785-L788 PolarHBondContact O-N 2.86Å; E785-A789 PolarHBondContact O-N 3.16Å; E785-R937 VanDerWaalsContact CG-CZ 3.42Å; E785-R937 VanDerWaalsContact CG-NH2 3.3Å; E785-R937 IonicContact OE1-CZ 3.12Å; E785-R937 VanDerWaalsContact OE1-CZ 3.23Å; E785-R937 IonicContact OE1-NE 2.83Å; E785-R937 IonicContact OE1-NH1 2.73Å; E785-R937 PolarHBondContact OE1-NH1 3.2Å; E785-R937 IonicContact OE1-NH2 2.89Å; E785-R937 IonicContact OE2-CZ 3.01Å; E785-R937 IonicContact OE2-NH1 3.22Å; E785-R937 PolarHBondContact OE2-NH1 3.04Å; E785-R937 IonicContact OE2-NH2 2.7Å; E785-R937 PolarHBondContact OE2-NH2 2.72Å |
| 786 | L | 91.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.6 | -41 | 176.4 | -171.2 | 64.6 | 0 | 0 | 0 | 112.3 | Q762 A765 L769 A782 V783 L788 A789 H790 C817 L820 L821 | Q762-L786 HydrophobicContact CB-CD1 4.48Å; Q762-L786 HydrophobicContact CG-CD1 4.25Å; A765-L786 HydrophobicContact CB-CB 3.89Å; A765-L786 HydrophobicContact CB-CD1 4.32Å; L769-L786 HydrophobicContact CD1-CD2 4.29Å; A782-L786 WeakPolarHBondContact O-CB 3.4Å; A782-L786 PolarHBondContact O-N 3.07Å; V783-L786 PolarHBondContact O-N 2.9Å; V783-L786 VanDerWaalsContact O-N 3.12Å; L786-L788 PolarHBondContact O-N 2.85Å; L786-A789 PolarHBondContact O-N 2.86Å; L786-H790 WeakPolarHBondContact O-CB 3.46Å; L786-H790 PolarHBondContact O-N 3.28Å; L786-C817 HydrophobicContact CD1-CB 4.09Å; L786-L820 HydrophobicContact CD1-CB 4.23Å; L786-L820 HydrophobicContact CD1-CD1 4.3Å; L786-L820 HydrophobicContact CD2-CB 3.54Å; L786-L820 HydrophobicContact CG-CB 4.47Å; L786-L821 HydrophobicContact CB-CD2 4.11Å; L786-L821 HydrophobicContact CD2-CB 4.43Å; L786-L821 HydrophobicContact CD2-CD2 3.79Å; L786-L821 HydrophobicContact CD2-CG 3.69Å; L786-L821 HydrophobicContact CG-CD2 3.96Å; L786-L821 HydrophobicContact CG-CG 3.86Å |
| 787 | E | 91.1 | Very high | 88.7 | Confident | 53 Ų | 53 | 38.5 Ų | 38.5 | 25% | 0.248 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.5 | -41.2 | 167.9 | -79 | -178.5 | -121.6 | 0 | 0 | 111.8 | V783 R791 L821 | V783-E787 PolarHBondContact O-N 3.39Å; E787-R791 VanDerWaalsContact O-CG 3.24Å; E787-R791 WeakPolarHBondContact O-CG 3.12Å; E787-R791 PolarHBondContact O-N 3.08Å; E787-R791 IonicContact OE2-CZ 2.93Å; E787-R791 IonicContact OE2-NH2 2.72Å; E787-R791 PolarHBondContact OE2-NH2 3.12Å; E787-L821 HydrophobicContact CG-CD2 4.08Å |
| 788 | L | 91.6 | Very high | 88.4 | Confident | 32 Ų | 32 | 43.5 Ų | 43.5 | 17% | 0.168 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -73.7 | -36.7 | -178.4 | -174.8 | 64.2 | 0 | 0 | 0 | 111.2 | L761 E785 L786 Y792 | L761-L788 HydrophobicContact CD1-CD2 4.15Å; L761-L788 HydrophobicContact CD1-CG 4.26Å; E785-L788 PolarHBondContact O-N 2.86Å; L786-L788 PolarHBondContact O-N 2.85Å; L788-Y792 HydrophobicContact CD1-CE1 4.33Å; L788-Y792 HydrophobicContact CD1-CE2 3.96Å; L788-Y792 HydrophobicContact CD2-CE2 4.13Å; L788-Y792 HydrophobicContact CG-CD2 4.22Å; L788-Y792 HydrophobicContact CG-CE2 3.65Å; L788-Y792 WeakPolarHBondContact O-CD2 3.39Å; L788-Y792 PolarHBondContact O-N 2.86Å; L788-Y792 VanDerWaalsContact O-N 3.1Å |
| 789 | A | 92.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.4 | -48.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A758 L761 Q762 E785 L786 R791 Y792 F793 | A758-A789 HydrophobicContact CB-CB 4.4Å; A758-A789 WeakPolarHBondContact O-CB 3.42Å; L761-A789 HydrophobicContact CB-CB 3.91Å; Q762-A789 HydrophobicContact CB-CB 4.32Å; E785-A789 PolarHBondContact O-N 3.16Å; L786-A789 PolarHBondContact O-N 2.86Å; A789-R791 PolarHBondContact O-N 3.42Å; A789-Y792 PolarHBondContact O-N 3.09Å; A789-Y792 VanDerWaalsContact O-N 3.1Å; A789-F793 HydrophobicContact CB-CD2 4.47Å; A789-F793 HydrophobicContact CB-CE2 4.21Å; A789-F793 VanDerWaalsContact O-CD2 3.24Å; A789-F793 WeakPolarHBondContact O-CD2 3.4Å; A789-F793 PolarHBondContact O-N 3.37Å |
| 790 | H | 91.4 | Very high | 86.9 | Confident | 56 Ų | 56 | 44.1 Ų | 44.1 | 26% | 0.259 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -55.6 | -52.8 | 176 | -178 | -130.3 | 0 | 0 | 0 | 111.1 | L786 Y792 F793 S794 A814 C817 L821 | L786-H790 WeakPolarHBondContact O-CB 3.46Å; L786-H790 PolarHBondContact O-N 3.28Å; H790-Y792 PolarHBondContact O-N 2.81Å; H790-F793 PolarHBondContact O-N 2.83Å; H790-F793 VanDerWaalsContact O-N 3.07Å; H790-S794 PolarHBondContact NE2-OG 2.95Å; H790-S794 PolarHBondContact O-N 3.1Å; H790-S794 PolarHBondContact O-OG 3.48Å; H790-A814 PolarHBondContact CD2-O 2.87Å; H790-C817 HydrophobicContact CB-CB 3.97Å; H790-L821 HydrophobicContact CB-CD1 4.25Å |
| 791 | R | 90.6 | Very high | 85.8 | Confident | 100 Ų | 100 | 44.6 Ų | 44.6 | 38% | 0.377 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.1 | -36.2 | 176.6 | -68.5 | 174.1 | -149.3 | -141.1 | 8.9 | 112.7 | E787 A789 Y795 G940 S941 | E787-R791 VanDerWaalsContact O-CG 3.24Å; E787-R791 WeakPolarHBondContact O-CG 3.12Å; E787-R791 PolarHBondContact O-N 3.08Å; E787-R791 IonicContact OE2-CZ 2.93Å; E787-R791 IonicContact OE2-NH2 2.72Å; E787-R791 PolarHBondContact OE2-NH2 3.12Å; A789-R791 PolarHBondContact O-N 3.42Å; R791-Y795 WeakPolarHBondContact O-CB 3.26Å; R791-Y795 PolarHBondContact O-N 3.28Å; R791-Y795 VanDerWaalsContact O-N 3.12Å; R791-G940 PolarHBondContact NH1-O 2.8Å; R791-S941 PolarHBondContact NH1-OG 3.14Å; R791-S941 PolarHBondContact NH2-OG 3.18Å; R791-S941 VanDerWaalsContact NH2-OG 3.09Å |
| 792 | Y | 89.1 | Confident | 84.3 | Confident | 48 Ų | 48 | 52.4 Ų | 52.4 | 19% | 0.188 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -72.1 | -42 | 174.2 | -68.9 | -36.7 | 0 | 0 | 0 | 113 | R744 V757 A758 L761 L788 A789 H790 Y795 L796 | R744-Y792 VanDerWaalsContact NH1-CZ 3.29Å; R744-Y792 PolarHBondContact NH1-OH 2.96Å; V757-Y792 HydrophobicContact CG1-CE2 4.16Å; A758-Y792 HydrophobicContact CB-CD2 4.35Å; L761-Y792 HydrophobicContact CD1-CD2 4.32Å; L761-Y792 HydrophobicContact CD1-CE2 4.17Å; L788-Y792 HydrophobicContact CD1-CE1 4.33Å; L788-Y792 HydrophobicContact CD1-CE2 3.96Å; L788-Y792 HydrophobicContact CD2-CE2 4.13Å; L788-Y792 HydrophobicContact CG-CD2 4.22Å; L788-Y792 HydrophobicContact CG-CE2 3.65Å; L788-Y792 WeakPolarHBondContact O-CD2 3.39Å; L788-Y792 PolarHBondContact O-N 2.86Å; L788-Y792 VanDerWaalsContact O-N 3.1Å; A789-Y792 PolarHBondContact O-N 3.09Å; A789-Y792 VanDerWaalsContact O-N 3.1Å; H790-Y792 PolarHBondContact O-N 2.81Å; Y792-Y795 PolarHBondContact O-N 3.16Å; Y792-L796 WeakPolarHBondContact O-CB 3.36Å; Y792-L796 WeakPolarHBondContact O-CD1 3.36Å; Y792-L796 VanDerWaalsContact O-CG 3.27Å; Y792-L796 WeakPolarHBondContact O-CG 3.19Å; Y792-L796 PolarHBondContact O-N 3.42Å |
| 793 | F | 90.2 | Very high | 82.6 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66 | -40.3 | 175.7 | -66.3 | -52.9 | 0 | 0 | 0 | 112.1 | F755 A758 L759 Q762 A789 H790 Y795 L796 S797 E813 A814 C817 | F755-F793 HydrophobicContact CD2-CD1 4.01Å; F755-F793 AromaticContact CD2-CE1 3.63Å; F755-F793 HydrophobicContact CD2-CE1 3.63Å; F755-F793 HydrophobicContact CE2-CD1 4.06Å; F755-F793 AromaticContact CE2-CE1 3.52Å; F755-F793 HydrophobicContact CE2-CE1 3.52Å; F755-F793 HydrophobicContact CZ-CE1 4.38Å; A758-F793 HydrophobicContact CB-CD1 3.89Å; A758-F793 HydrophobicContact CB-CD2 4.22Å; A758-F793 HydrophobicContact CB-CE1 3.51Å; A758-F793 HydrophobicContact CB-CE2 3.88Å; A758-F793 HydrophobicContact CB-CG 4.24Å; A758-F793 HydrophobicContact CB-CZ 3.53Å; L759-F793 HydrophobicContact CB-CZ 4.38Å; Q762-F793 HydrophobicContact CB-CE2 4.35Å; A789-F793 HydrophobicContact CB-CD2 4.47Å; A789-F793 HydrophobicContact CB-CE2 4.21Å; A789-F793 VanDerWaalsContact O-CD2 3.24Å; A789-F793 WeakPolarHBondContact O-CD2 3.4Å; A789-F793 PolarHBondContact O-N 3.37Å; H790-F793 PolarHBondContact O-N 2.83Å; H790-F793 VanDerWaalsContact O-N 3.07Å; F793-Y795 VanDerWaalsContact C-N 3.29Å; F793-Y795 PolarHBondContact O-N 3.27Å; F793-L796 PolarHBondContact O-N 3.48Å; F793-S797 VanDerWaalsContact O-CB 3.25Å; F793-S797 WeakPolarHBondContact O-CB 3.32Å; F793-S797 PolarHBondContact O-N 3.08Å; F793-E813 HydrophobicContact CD1-CB 4.19Å; F793-E813 HydrophobicContact CD2-CB 4.11Å; F793-E813 HydrophobicContact CE1-CB 3.99Å; F793-E813 HydrophobicContact CE2-CB 3.9Å; F793-E813 HydrophobicContact CG-CB 4.25Å; F793-E813 HydrophobicContact CZ-CB 3.82Å; F793-E813 HydrophobicContact CZ-CG 4.47Å; F793-A814 HydrophobicContact CB-CB 3.83Å; F793-C817 VanDerWaalsContact CE2-SG 3.57Å |
| 794 | S | 88.1 | Confident | 81 | Confident | 39 Ų | 39 | 68.5 Ų | 68.5 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.4 | -33.5 | 173.3 | -47.5 | 0 | 0 | 0 | 0 | 112.7 | H790 K798 | H790-S794 PolarHBondContact NE2-OG 2.95Å; H790-S794 PolarHBondContact O-N 3.1Å; H790-S794 PolarHBondContact O-OG 3.48Å; S794-K798 WeakPolarHBondContact O-CG 3.39Å |
| 795 | Y | 87.4 | Confident | 79.7 | Confident | 113 Ų | 113 | 66.3 Ų | 66.3 | 44% | 0.443 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -71.5 | -48.7 | 173.8 | 176 | -96.7 | 0 | 0 | 0 | 111.5 | M754 R791 Y792 F793 S797 K798 V799 | M754-Y795 HydrophobicContact CE-CE1 4.47Å; M754-Y795 HydrophobicContact SD-CD1 4.41Å; M754-Y795 HydrophobicContact SD-CE1 4.09Å; R791-Y795 WeakPolarHBondContact O-CB 3.26Å; R791-Y795 PolarHBondContact O-N 3.28Å; R791-Y795 VanDerWaalsContact O-N 3.12Å; Y792-Y795 PolarHBondContact O-N 3.16Å; F793-Y795 VanDerWaalsContact C-N 3.29Å; F793-Y795 PolarHBondContact O-N 3.27Å; Y795-S797 VanDerWaalsContact C-N 3.28Å; Y795-S797 PolarHBondContact O-N 3.16Å; Y795-K798 PolarHBondContact O-N 3.36Å; Y795-V799 HydrophobicContact CD2-CG2 4.04Å; Y795-V799 HydrophobicContact CE1-CB 4.18Å; Y795-V799 HydrophobicContact CE1-CG1 4.48Å; Y795-V799 HydrophobicContact CE2-CB 4.13Å; Y795-V799 HydrophobicContact CE2-CG1 4.41Å; Y795-V799 HydrophobicContact CE2-CG2 3.73Å; Y795-V799 PolarHBondContact O-N 2.94Å |
| 796 | L | 84.6 | Confident | 78.7 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.5 | -35.9 | 177.4 | -71.6 | 163.1 | 0 | 0 | 0 | 112 | T751 M754 F755 Y792 F793 K798 G800 L807 A810 | T751-L796 HydrophobicContact CG2-CD2 4.26Å; M754-L796 HydrophobicContact CB-CD1 4.24Å; M754-L796 HydrophobicContact CB-CD2 4.12Å; F755-L796 HydrophobicContact CB-CD1 3.87Å; F755-L796 HydrophobicContact CD2-CD1 4.28Å; Y792-L796 WeakPolarHBondContact O-CB 3.36Å; Y792-L796 WeakPolarHBondContact O-CD1 3.36Å; Y792-L796 VanDerWaalsContact O-CG 3.27Å; Y792-L796 WeakPolarHBondContact O-CG 3.19Å; Y792-L796 PolarHBondContact O-N 3.42Å; F793-L796 PolarHBondContact O-N 3.48Å; L796-K798 PolarHBondContact O-N 2.96Å; L796-G800 VanDerWaalsContact O-CA 3.25Å; L796-G800 WeakPolarHBondContact O-CA 3.36Å; L796-G800 PolarHBondContact O-N 3.44Å; L796-L807 WeakPolarHBondContact O-CD2 3.48Å; L796-A810 HydrophobicContact CB-CB 4.18Å |
| 797 | S | 82.9 | Confident | 77.7 | Confident | 44 Ų | 44 | 72.2 Ų | 72.2 | 31% | 0.308 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.2 | -10.1 | 173.4 | -174.2 | 0 | 0 | 0 | 0 | 114.3 | F793 Y795 | F793-S797 VanDerWaalsContact O-CB 3.25Å; F793-S797 WeakPolarHBondContact O-CB 3.32Å; F793-S797 PolarHBondContact O-N 3.08Å; Y795-S797 VanDerWaalsContact C-N 3.28Å; Y795-S797 PolarHBondContact O-N 3.16Å |
| 798 | K | 81.4 | Confident | 77.2 | Confident | 181 Ų | 181 | 72.3 Ų | 72.3 | 79% | 0.787 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -114.4 | -33.5 | 178.5 | -69 | -178.9 | 178.7 | -170.1 | 0 | 113.5 | S794 Y795 L796 | S794-K798 WeakPolarHBondContact O-CG 3.39Å; Y795-K798 PolarHBondContact O-N 3.36Å; L796-K798 PolarHBondContact O-N 2.96Å |
| 799 | V | 75.6 | Confident | 76.7 | Confident | 81 Ų | 81 | 75.5 Ų | 75.5 | 49% | 0.491 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -122 | 4.2 | -169.8 | -165.5 | 0 | 0 | 0 | 0 | 112.1 | Y795 | Y795-V799 HydrophobicContact CD2-CG2 4.04Å; Y795-V799 HydrophobicContact CE1-CB 4.18Å; Y795-V799 HydrophobicContact CE1-CG1 4.48Å; Y795-V799 HydrophobicContact CE2-CB 4.13Å; Y795-V799 HydrophobicContact CE2-CG1 4.41Å; Y795-V799 HydrophobicContact CE2-CG2 3.73Å; Y795-V799 PolarHBondContact O-N 2.94Å |
| 800 | G | 63.6 | Low | 76.2 | Confident | 10 Ų | 10 | 75.5 Ų | 75.5 | 10% | 0.103 | 37% | 0.366 | C | S | . | . | trans | -66.8 | 132.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L796 K802 | L796-G800 VanDerWaalsContact O-CA 3.25Å; L796-G800 WeakPolarHBondContact O-CA 3.36Å; L796-G800 PolarHBondContact O-N 3.44Å; G800-K802 PolarHBondContact O-N 3.37Å | ||
| 801 | D | 64.1 | Low | 75.9 | Confident | 66 Ų | 66 | 74.3 Ų | 74.3 | 35% | 0.353 | 37% | 0.367 | S | S | . | . | trans | -65.2 | 115.2 | 172 | 170.9 | 21.1 | 0 | 0 | 0 | 111.2 | M803 R804 F805 | D801-M803 PolarHBondContact O-N 3.3Å; D801-M803 WeakPolarHBondContact OD1-CB 3.38Å; D801-M803 PolarHBondContact OD1-N 2.97Å; D801-R804 PolarHBondContact O-N 3.44Å; D801-F805 PolarHBondContact O-N 3.31Å; D801-F805 VanDerWaalsContact O-N 3.11Å | ||
| 802 | K | 58.6 | Low | 75.8 | Confident | 171 Ų | 171 | 72.7 Ų | 72.7 | 74% | 0.743 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -26.5 | 179 | -70.4 | -177.7 | 176.5 | -178.5 | 0 | 113.8 | G800 L807 | G800-K802 PolarHBondContact O-N 3.37Å; K802-L807 HydrophobicContact CG-CD1 3.68Å |
| 803 | M | 51.4 | Low | 75.7 | Confident | 173 Ų | 173 | 72.8 Ų | 72.8 | 85% | 0.852 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -17.9 | -173.8 | -65.9 | -61.2 | -178.7 | 0 | 0 | 113.6 | D801 | D801-M803 PolarHBondContact O-N 3.3Å; D801-M803 WeakPolarHBondContact OD1-CB 3.38Å; D801-M803 PolarHBondContact OD1-N 2.97Å |
| 804 | R | 56.6 | Low | 75.6 | Confident | 188 Ų | 188 | 73.3 Ų | 73.3 | 71% | 0.709 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.2 | -12.6 | -178.2 | -66.1 | -175.2 | 174.4 | -155.4 | -1.8 | 114.2 | D801 | D801-R804 PolarHBondContact O-N 3.44Š|
| 805 | F | 61 | Low | 75.6 | Confident | 26 Ų | 26 | 78.8 Ų | 78.8 | 11% | 0.114 | 39% | 0.389 | C | S | . | . | trans | -145.8 | 129.8 | -173.2 | -175.2 | -92.7 | 0 | 0 | 0 | 112.8 | F755 D801 L807 L809 A810 | F755-F805 HydrophobicContact CB-CD2 4.48Å; F755-F805 HydrophobicContact CB-CE2 4.13Å; F755-F805 AromaticContact CD1-CE2 3.84Å; F755-F805 HydrophobicContact CD1-CE2 3.84Å; F755-F805 HydrophobicContact CD2-CD2 4.35Å; F755-F805 HydrophobicContact CD2-CE1 4.43Å; F755-F805 AromaticContact CD2-CE2 3.28Å; F755-F805 HydrophobicContact CD2-CE2 3.28Å; F755-F805 AromaticContact CD2-CZ 3.34Å; F755-F805 HydrophobicContact CD2-CZ 3.34Å; F755-F805 HydrophobicContact CE1-CE2 4.06Å; F755-F805 AromaticContact CE2-CE2 3.52Å; F755-F805 HydrophobicContact CE2-CE2 3.52Å; F755-F805 AromaticContact CE2-CZ 3.44Å; F755-F805 HydrophobicContact CE2-CZ 3.44Å; F755-F805 VanDerWaalsContact CE2-CZ 3.44Å; F755-F805 HydrophobicContact CG-CD2 4.22Å; F755-F805 AromaticContact CG-CE2 3.45Å; F755-F805 HydrophobicContact CG-CE2 3.45Å; F755-F805 VanDerWaalsContact CG-CE2 3.45Å; F755-F805 HydrophobicContact CG-CZ 4.02Å; F755-F805 AromaticContact CZ-CE2 3.91Å; F755-F805 HydrophobicContact CZ-CE2 3.91Å; F755-F805 HydrophobicContact CZ-CZ 4.18Å; D801-F805 PolarHBondContact O-N 3.31Å; D801-F805 VanDerWaalsContact O-N 3.11Å; F805-L807 PolarHBondContact O-N 2.99Å; F805-L809 HydrophobicContact CZ-CB 4.42Å; F805-A810 HydrophobicContact CE1-CB 3.45Å; F805-A810 VanDerWaalsContact CE1-CB 3.45Å; F805-A810 HydrophobicContact CZ-CB 3.7Å | ||
| 806 | D | 69.1 | Low | 75.6 | Confident | 91 Ų | 91 | 77.8 Ų | 77.8 | 49% | 0.487 | 39% | 0.388 | S | S | . | . | trans | -80 | 107.8 | 174.3 | 176.6 | 12 | 0 | 0 | 0 | 111.4 | A808 L809 | D806-A808 PolarHBondContact O-N 3.19Å; D806-A808 VanDerWaalsContact O-N 3.15Å; D806-A808 WeakPolarHBondContact OD1-CB 3.43Å; D806-A808 PolarHBondContact OD1-N 3.03Å; D806-L809 HydrophobicContact CB-CD1 4.23Å; D806-L809 WeakPolarHBondContact O-CB 3.42Å; D806-L809 PolarHBondContact O-N 2.65Å | ||
| 807 | L | 72.1 | Confident | 75.8 | Confident | 44 Ų | 44 | 77.8 Ų | 77.8 | 23% | 0.23 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -53.5 | -30.9 | 177.6 | -70.7 | 149 | 0 | 0 | 0 | 113.4 | L796 K802 F805 L809 A810 A811 | L796-L807 WeakPolarHBondContact O-CD2 3.48Å; K802-L807 HydrophobicContact CG-CD1 3.68Å; F805-L807 PolarHBondContact O-N 2.99Å; L807-L809 VanDerWaalsContact C-N 3.31Å; L807-L809 PolarHBondContact O-N 2.8Å; L807-A810 PolarHBondContact O-N 3.22Å; L807-A811 PolarHBondContact O-N 3.2Å |
| 808 | A | 79.1 | Confident | 76 | Confident | 55 Ų | 55 | 78.6 Ų | 78.6 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.3 | -30.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D806 T812 | D806-A808 PolarHBondContact O-N 3.19Å; D806-A808 VanDerWaalsContact O-N 3.15Å; D806-A808 WeakPolarHBondContact OD1-CB 3.43Å; D806-A808 PolarHBondContact OD1-N 3.03Å; A808-T812 WeakPolarHBondContact O-CB 3.48Å; A808-T812 PolarHBondContact O-N 3.26Å; A808-T812 VanDerWaalsContact O-N 3.1Å; A808-T812 PolarHBondContact O-OG1 3.08Å |
| 809 | L | 81.3 | Confident | 76.3 | Confident | 98 Ų | 98 | 73.7 Ų | 73.7 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -70.5 | -42.9 | 174.4 | -83.2 | 161.3 | 0 | 0 | 0 | 111.5 | F805 D806 L807 T812 E813 | F805-L809 HydrophobicContact CZ-CB 4.42Å; D806-L809 HydrophobicContact CB-CD1 4.23Å; D806-L809 WeakPolarHBondContact O-CB 3.42Å; D806-L809 PolarHBondContact O-N 2.65Å; L807-L809 VanDerWaalsContact C-N 3.31Å; L807-L809 PolarHBondContact O-N 2.8Å; L809-T812 PolarHBondContact O-N 3.34Å; L809-E813 PolarHBondContact O-N 3.19Å |
| 810 | A | 82.9 | Confident | 76.9 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L796 F805 L807 T812 E813 A814 | L796-A810 HydrophobicContact CB-CB 4.18Å; F805-A810 HydrophobicContact CE1-CB 3.45Å; F805-A810 VanDerWaalsContact CE1-CB 3.45Å; F805-A810 HydrophobicContact CZ-CB 3.7Å; L807-A810 PolarHBondContact O-N 3.22Å; A810-T812 PolarHBondContact O-N 3.48Å; A810-E813 PolarHBondContact O-N 2.82Å; A810-A814 VanDerWaalsContact O-CB 3.27Å; A810-A814 WeakPolarHBondContact O-CB 3.38Å; A810-A814 PolarHBondContact O-N 3.31Å |
| 811 | A | 84 | Confident | 78 | Confident | 32 Ų | 32 | 71.8 Ų | 71.8 | 26% | 0.264 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.6 | -27.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L807 R815 | L807-A811 PolarHBondContact O-N 3.2Å; A811-R815 WeakPolarHBondContact O-CG 3.09Å; A811-R815 PolarHBondContact O-N 2.89Å; A811-R815 PolarHBondContact O-NE 2.94Å |
| 812 | T | 88.9 | Confident | 79 | Confident | 65 Ų | 65 | 72.4 Ų | 72.4 | 40% | 0.399 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -81.6 | -44.5 | 177.1 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | A808 L809 A810 A814 R815 Q816 | A808-T812 WeakPolarHBondContact O-CB 3.48Å; A808-T812 PolarHBondContact O-N 3.26Å; A808-T812 VanDerWaalsContact O-N 3.1Å; A808-T812 PolarHBondContact O-OG1 3.08Å; L809-T812 PolarHBondContact O-N 3.34Å; A810-T812 PolarHBondContact O-N 3.48Å; T812-A814 VanDerWaalsContact C-N 3.28Å; T812-A814 PolarHBondContact O-N 3.5Å; T812-R815 PolarHBondContact O-N 2.92Å; T812-R815 PolarHBondContact OG1-NH2 3.09Å; T812-Q816 PolarHBondContact O-N 2.94Å |
| 813 | E | 87.8 | Confident | 80.1 | Confident | 51 Ų | 51 | 69.2 Ų | 69.2 | 24% | 0.238 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.7 | -27.6 | 174.1 | -65 | -71.9 | -161.5 | 0 | 0 | 112.6 | Q762 F793 L809 A810 Q816 C817 | Q762-E813 PolarHBondContact NE2-OE2 3.01Å; Q762-E813 PolarHBondContact OE1-OE2 3.04Å; F793-E813 HydrophobicContact CD1-CB 4.19Å; F793-E813 HydrophobicContact CD2-CB 4.11Å; F793-E813 HydrophobicContact CE1-CB 3.99Å; F793-E813 HydrophobicContact CE2-CB 3.9Å; F793-E813 HydrophobicContact CG-CB 4.25Å; F793-E813 HydrophobicContact CZ-CB 3.82Å; F793-E813 HydrophobicContact CZ-CG 4.47Å; L809-E813 PolarHBondContact O-N 3.19Å; A810-E813 PolarHBondContact O-N 2.82Å; E813-Q816 PolarHBondContact O-N 3.11Å; E813-C817 WeakPolarHBondContact O-CB 3.49Å; E813-C817 PolarHBondContact O-N 2.94Å; E813-C817 PolarHBondContact O-SG 3Å |
| 814 | A | 87.6 | Confident | 81.6 | Confident | 11 Ų | 11 | 61 Ų | 61 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.4 | -48.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | H790 F793 A810 T812 C817 S818 | H790-A814 PolarHBondContact CD2-O 2.87Å; F793-A814 HydrophobicContact CB-CB 3.83Å; A810-A814 VanDerWaalsContact O-CB 3.27Å; A810-A814 WeakPolarHBondContact O-CB 3.38Å; A810-A814 PolarHBondContact O-N 3.31Å; T812-A814 VanDerWaalsContact C-N 3.28Å; T812-A814 PolarHBondContact O-N 3.5Å; A814-C817 WeakPolarHBondContact O-CB 3.16Å; A814-C817 PolarHBondContact O-N 2.91Å; A814-S818 PolarHBondContact O-N 3.07Å |
| 815 | R | 88.4 | Confident | 82.8 | Confident | 154 Ų | 154 | 58.2 Ų | 58.2 | 58% | 0.581 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60 | -48.4 | 174.4 | -71.9 | 178.5 | -71.5 | 169.4 | 2.6 | 110.8 | A811 T812 C817 S818 D819 | A811-R815 WeakPolarHBondContact O-CG 3.09Å; A811-R815 PolarHBondContact O-N 2.89Å; A811-R815 PolarHBondContact O-NE 2.94Å; T812-R815 PolarHBondContact O-N 2.92Å; T812-R815 PolarHBondContact OG1-NH2 3.09Å; R815-C817 PolarHBondContact O-N 3.33Å; R815-S818 WeakPolarHBondContact O-CA 3.39Å; R815-S818 VanDerWaalsContact O-CB 3.27Å; R815-S818 WeakPolarHBondContact O-CB 3.26Å; R815-S818 PolarHBondContact O-N 2.97Å; R815-D819 PolarHBondContact O-N 2.96Å |
| 816 | Q | 87.8 | Confident | 84 | Confident | 92 Ų | 92 | 64.6 Ų | 64.6 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.6 | -34.3 | 177.7 | -167.4 | 62.9 | 83.1 | 0 | 0 | 112.9 | T812 E813 L820 | T812-Q816 PolarHBondContact O-N 2.94Å; E813-Q816 PolarHBondContact O-N 3.11Å; Q816-L820 HydrophobicContact CG-CD1 4.41Å; Q816-L820 WeakPolarHBondContact O-CB 3.43Å; Q816-L820 WeakPolarHBondContact O-CD1 3.48Å; Q816-L820 VanDerWaalsContact O-CG 3.26Å; Q816-L820 WeakPolarHBondContact O-CG 3.29Å; Q816-L820 PolarHBondContact O-N 2.84Å; Q816-L820 VanDerWaalsContact O-N 3.09Å |
| 817 | C | 87.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70 | -35.8 | 172.1 | -70.4 | 0 | 0 | 0 | 0 | 113.2 | L786 H790 F793 E813 A814 R815 L820 L821 | L786-C817 HydrophobicContact CD1-CB 4.09Å; H790-C817 HydrophobicContact CB-CB 3.97Å; F793-C817 VanDerWaalsContact CE2-SG 3.57Å; E813-C817 WeakPolarHBondContact O-CB 3.49Å; E813-C817 PolarHBondContact O-N 2.94Å; E813-C817 PolarHBondContact O-SG 3Å; A814-C817 WeakPolarHBondContact O-CB 3.16Å; A814-C817 PolarHBondContact O-N 2.91Å; R815-C817 PolarHBondContact O-N 3.33Å; C817-L820 PolarHBondContact O-N 2.97Å; C817-L821 WeakPolarHBondContact O-CB 3.42Å; C817-L821 VanDerWaalsContact O-CG 3.26Å; C817-L821 WeakPolarHBondContact O-CG 3.47Å; C817-L821 PolarHBondContact O-N 3.12Å |
| 818 | S | 87.8 | Confident | 85.2 | Confident | 61 Ų | 61 | 60.7 Ų | 60.7 | 43% | 0.427 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 173.8 | -170.8 | 0 | 0 | 0 | 0 | 111.4 | A814 R815 L821 S822 | A814-S818 PolarHBondContact O-N 3.07Å; R815-S818 WeakPolarHBondContact O-CA 3.39Å; R815-S818 VanDerWaalsContact O-CB 3.27Å; R815-S818 WeakPolarHBondContact O-CB 3.26Å; R815-S818 PolarHBondContact O-N 2.97Å; S818-L821 WeakPolarHBondContact O-CB 3.17Å; S818-L821 PolarHBondContact O-N 3.04Å; S818-L821 VanDerWaalsContact O-N 3.13Å; S818-S822 PolarHBondContact O-N 3.24Å; S818-S822 VanDerWaalsContact O-N 3.09Å |
| 819 | D | 87.6 | Confident | 85.5 | Confident | 79 Ų | 79 | 60.9 Ų | 60.9 | 42% | 0.422 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.5 | -37.1 | 178 | -57.1 | -33.2 | 0 | 0 | 0 | 112 | R815 L821 S822 Q823 | R815-D819 PolarHBondContact O-N 2.96Å; D819-L821 VanDerWaalsContact C-N 3.32Å; D819-S822 PolarHBondContact O-OG 3.31Å; D819-Q823 VanDerWaalsContact O-CG 3.3Å; D819-Q823 WeakPolarHBondContact O-CG 3.41Å; D819-Q823 PolarHBondContact O-N 2.78Å |
| 820 | L | 87.4 | Confident | 85.6 | Confident | 15 Ų | 15 | 60.1 Ų | 60.1 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.1 | -29.8 | 172.1 | -73.9 | 164.6 | 0 | 0 | 0 | 112.2 | Q762 T766 L786 Q816 C817 A824 | Q762-L820 HydrophobicContact CG-CD1 4.24Å; T766-L820 HydrophobicContact CG2-CD2 4.16Å; T766-L820 WeakPolarHBondContact OG1-CD1 3.45Å; L786-L820 HydrophobicContact CD1-CB 4.23Å; L786-L820 HydrophobicContact CD1-CD1 4.3Å; L786-L820 HydrophobicContact CD2-CB 3.54Å; L786-L820 HydrophobicContact CG-CB 4.47Å; Q816-L820 HydrophobicContact CG-CD1 4.41Å; Q816-L820 WeakPolarHBondContact O-CB 3.43Å; Q816-L820 WeakPolarHBondContact O-CD1 3.48Å; Q816-L820 VanDerWaalsContact O-CG 3.26Å; Q816-L820 WeakPolarHBondContact O-CG 3.29Å; Q816-L820 PolarHBondContact O-N 2.84Å; Q816-L820 VanDerWaalsContact O-N 3.09Å; C817-L820 PolarHBondContact O-N 2.97Å; L820-A824 VanDerWaalsContact O-CB 3.26Å; L820-A824 WeakPolarHBondContact O-CB 3.45Å; L820-A824 PolarHBondContact O-N 3.13Å |
| 821 | L | 86.9 | Confident | 85.6 | Confident | 35 Ų | 35 | 60.3 Ų | 60.3 | 18% | 0.183 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.8 | -36.2 | 176.9 | -79.6 | 165.7 | 0 | 0 | 0 | 112.4 | V783 L786 E787 H790 C817 S818 D819 A824 | V783-L821 HydrophobicContact CG1-CD2 4.21Å; L786-L821 HydrophobicContact CB-CD2 4.11Å; L786-L821 HydrophobicContact CD2-CB 4.43Å; L786-L821 HydrophobicContact CD2-CD2 3.79Å; L786-L821 HydrophobicContact CD2-CG 3.69Å; L786-L821 HydrophobicContact CG-CD2 3.96Å; L786-L821 HydrophobicContact CG-CG 3.86Å; E787-L821 HydrophobicContact CG-CD2 4.08Å; H790-L821 HydrophobicContact CB-CD1 4.25Å; C817-L821 WeakPolarHBondContact O-CB 3.42Å; C817-L821 VanDerWaalsContact O-CG 3.26Å; C817-L821 WeakPolarHBondContact O-CG 3.47Å; C817-L821 PolarHBondContact O-N 3.12Å; S818-L821 WeakPolarHBondContact O-CB 3.17Å; S818-L821 PolarHBondContact O-N 3.04Å; S818-L821 VanDerWaalsContact O-N 3.13Å; D819-L821 VanDerWaalsContact C-N 3.32Å; L821-A824 PolarHBondContact O-N 3.18Å |
| 822 | S | 85.6 | Confident | 85.7 | Confident | 80 Ų | 80 | 65.3 Ų | 65.3 | 56% | 0.559 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -68.2 | -45.4 | 174 | 67.3 | 0 | 0 | 0 | 0 | 111 | S818 D819 A824 Q825 | S818-S822 PolarHBondContact O-N 3.24Å; S818-S822 VanDerWaalsContact O-N 3.09Å; D819-S822 PolarHBondContact O-OG 3.31Å; S822-A824 VanDerWaalsContact C-N 3.29Å; S822-A824 PolarHBondContact O-N 2.91Å; S822-Q825 PolarHBondContact O-N 3.2Å |
| 823 | Q | 82.1 | Confident | 85.6 | Confident | 104 Ų | 104 | 68 Ų | 68 | 49% | 0.486 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57 | -41.6 | 172.2 | -69.8 | 172 | 14.7 | 0 | 0 | 111.8 | D819 Q825 Y826 H827 | D819-Q823 VanDerWaalsContact O-CG 3.3Å; D819-Q823 WeakPolarHBondContact O-CG 3.41Å; D819-Q823 PolarHBondContact O-N 2.78Å; Q823-Q825 PolarHBondContact O-N 2.88Å; Q823-Q825 VanDerWaalsContact O-N 3.13Å; Q823-Y826 WeakPolarHBondContact O-CB 3.22Å; Q823-Y826 PolarHBondContact O-N 3.01Å; Q823-Y826 VanDerWaalsContact O-N 3.09Å; Q823-H827 PolarHBondContact O-CD2 3.02Å; Q823-H827 VanDerWaalsContact O-CD2 3.29Å; Q823-H827 PolarHBondContact O-N 3.15Å |
| 824 | A | 82.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.4 | -23.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L769 V783 L820 L821 S822 Y826 H827 V828 | L769-A824 HydrophobicContact CD1-CB 3.83Å; L769-A824 HydrophobicContact CD2-CB 3.72Å; L769-A824 HydrophobicContact CG-CB 4.46Å; V783-A824 HydrophobicContact CG2-CB 3.87Å; L820-A824 VanDerWaalsContact O-CB 3.26Å; L820-A824 WeakPolarHBondContact O-CB 3.45Å; L820-A824 PolarHBondContact O-N 3.13Å; L821-A824 PolarHBondContact O-N 3.18Å; S822-A824 VanDerWaalsContact C-N 3.29Å; S822-A824 PolarHBondContact O-N 2.91Å; A824-Y826 VanDerWaalsContact C-N 3.34Å; A824-Y826 PolarHBondContact O-N 3.3Å; A824-H827 PolarHBondContact O-N 3.16Å; A824-V828 WeakPolarHBondContact O-CG2 3.5Å; A824-V828 PolarHBondContact O-N 3.16Å |
| 825 | Q | 82.1 | Confident | 85.2 | Confident | 128 Ų | 128 | 70.5 Ų | 70.5 | 60% | 0.598 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63 | -40.8 | 174.9 | -61.6 | -64.2 | -7.4 | 0 | 0 | 111.8 | S822 Q823 V828 A829 | S822-Q825 PolarHBondContact O-N 3.2Å; Q823-Q825 PolarHBondContact O-N 2.88Å; Q823-Q825 VanDerWaalsContact O-N 3.13Å; Q825-V828 PolarHBondContact O-N 3.25Å; Q825-A829 PolarHBondContact O-N 3.26Å |
| 826 | Y | 84.8 | Confident | 85.1 | Confident | 160 Ų | 160 | 67.8 Ų | 67.8 | 63% | 0.627 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.5 | -43.9 | 174.1 | 171.1 | -99.6 | 0 | 0 | 0 | 111.5 | Q823 A824 V828 A829 R830 | Q823-Y826 WeakPolarHBondContact O-CB 3.22Å; Q823-Y826 PolarHBondContact O-N 3.01Å; Q823-Y826 VanDerWaalsContact O-N 3.09Å; A824-Y826 VanDerWaalsContact C-N 3.34Å; A824-Y826 PolarHBondContact O-N 3.3Å; Y826-V828 PolarHBondContact O-N 2.97Å; Y826-A829 PolarHBondContact O-N 2.63Å; Y826-R830 PolarHBondContact O-N 3.02Å |
| 827 | H | 81.9 | Confident | 85 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 21% | 0.213 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.8 | -34.4 | 176.4 | -67.5 | -83.7 | 0 | 0 | 0 | 112.9 | L769 V779 Q823 A824 A831 | L769-H827 HydrophobicContact CD2-CB 3.86Å; L769-H827 PolarHBondContact O-CE1 3.47Å; L769-H827 PolarHBondContact O-ND1 3.16Å; V779-H827 HydrophobicContact CG1-CB 4.36Å; Q823-H827 PolarHBondContact O-CD2 3.02Å; Q823-H827 VanDerWaalsContact O-CD2 3.29Å; Q823-H827 PolarHBondContact O-N 3.15Å; A824-H827 PolarHBondContact O-N 3.16Å; H827-A831 VanDerWaalsContact O-CB 3.27Å; H827-A831 WeakPolarHBondContact O-CB 3.27Å; H827-A831 PolarHBondContact O-N 3.5Å |
| 828 | V | 85.3 | Confident | 84.8 | Confident | 8 Ų | 8 | 72.2 Ų | 72.2 | 5% | 0.048 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 172.1 | 169 | 0 | 0 | 0 | 0 | 111.2 | V779 L780 V783 A824 Q825 Y826 A831 R832 | V779-V828 HydrophobicContact CG1-CG2 3.77Å; L780-V828 HydrophobicContact CD2-CG1 4.05Å; L780-V828 HydrophobicContact CD2-CG2 4.27Å; V783-V828 HydrophobicContact CG2-CG2 3.91Å; A824-V828 WeakPolarHBondContact O-CG2 3.5Å; A824-V828 PolarHBondContact O-N 3.16Å; Q825-V828 PolarHBondContact O-N 3.25Å; Y826-V828 PolarHBondContact O-N 2.97Å; V828-A831 PolarHBondContact O-N 2.99Å; V828-R832 WeakPolarHBondContact O-CG 3.24Å; V828-R832 PolarHBondContact O-N 2.82Å |
| 829 | A | 85.3 | Confident | 84.6 | Confident | 59 Ų | 59 | 74.9 Ų | 74.9 | 49% | 0.488 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q825 Y826 A831 R832 K833 | Q825-A829 PolarHBondContact O-N 3.26Å; Y826-A829 PolarHBondContact O-N 2.63Å; A829-A831 VanDerWaalsContact C-N 3.34Å; A829-A831 PolarHBondContact O-N 3.36Å; A829-R832 PolarHBondContact O-N 2.82Å; A829-K833 PolarHBondContact O-N 3.11Å; A829-K833 VanDerWaalsContact O-N 3.16Å |
| 830 | R | 84.2 | Confident | 84.6 | Confident | 81 Ų | 81 | 76.2 Ų | 76.2 | 31% | 0.306 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -54.3 | -48.4 | 172.5 | 171.7 | 177.3 | 166.8 | 160.3 | -2.1 | 111.7 | E772 Y826 R832 K833 Q834 | E772-R830 PolarHBondContact O-NH2 2.59Å; E772-R830 IonicContact OE1-NH2 3.72Å; Y826-R830 PolarHBondContact O-N 3.02Å; R830-R832 VanDerWaalsContact C-N 3.32Å; R830-R832 PolarHBondContact O-N 2.67Å; R830-K833 PolarHBondContact O-N 3.37Å; R830-Q834 PolarHBondContact O-N 2.94Å |
| 831 | A | 82.8 | Confident | 84.5 | Confident | 4 Ų | 4 | 80.6 Ų | 80.6 | 3% | 0.033 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.2 | -26.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L776 V779 H827 V828 A829 D835 | L776-A831 HydrophobicContact CB-CB 4.22Å; L776-A831 HydrophobicContact CD1-CB 3.97Å; V779-A831 HydrophobicContact CB-CB 4.32Å; V779-A831 HydrophobicContact CG2-CB 3.97Å; H827-A831 VanDerWaalsContact O-CB 3.27Å; H827-A831 WeakPolarHBondContact O-CB 3.27Å; H827-A831 PolarHBondContact O-N 3.5Å; V828-A831 PolarHBondContact O-N 2.99Å; A829-A831 VanDerWaalsContact C-N 3.34Å; A829-A831 PolarHBondContact O-N 3.36Å; A831-D835 WeakPolarHBondContact O-CB 3.44Å; A831-D835 PolarHBondContact O-N 3.39Å; A831-D835 VanDerWaalsContact O-N 3.11Å |
| 832 | R | 86.1 | Confident | 84.5 | Confident | 137 Ų | 137 | 83.4 Ų | 83.4 | 52% | 0.517 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.4 | -48.6 | 169.1 | -72.9 | 176.6 | -169.4 | 178.5 | 4.2 | 111 | L776 V828 A829 R830 Q834 D835 E836 | L776-R832 HydrophobicContact CD1-CG 3.84Å; L776-R832 HydrophobicContact CD2-CG 4.3Å; V828-R832 WeakPolarHBondContact O-CG 3.24Å; V828-R832 PolarHBondContact O-N 2.82Å; A829-R832 PolarHBondContact O-N 2.82Å; R830-R832 VanDerWaalsContact C-N 3.32Å; R830-R832 PolarHBondContact O-N 2.67Å; R832-Q834 VanDerWaalsContact C-N 3.3Å; R832-Q834 PolarHBondContact O-N 2.89Å; R832-D835 PolarHBondContact O-N 2.82Å; R832-D835 VanDerWaalsContact O-N 3.07Å; R832-E836 VanDerWaalsContact O-CG 3.31Å; R832-E836 WeakPolarHBondContact O-CG 3.36Å; R832-E836 PolarHBondContact O-N 3.38Å |
| 833 | K | 85.7 | Confident | 84.5 | Confident | 123 Ų | 123 | 81.6 Ų | 81.6 | 54% | 0.535 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.6 | -41.5 | 177.4 | -169.8 | 175.1 | -172.4 | -72.9 | 0 | 112.1 | A829 R830 E836 E837 | A829-K833 PolarHBondContact O-N 3.11Å; A829-K833 VanDerWaalsContact O-N 3.16Å; R830-K833 PolarHBondContact O-N 3.37Å; K833-E836 PolarHBondContact O-N 3.24Å; K833-E837 IonicContact NZ-OE1 3.69Å; K833-E837 PolarHBondContact NZ-OE1 3.01Å; K833-E837 WeakPolarHBondContact O-CB 3.44Å; K833-E837 VanDerWaalsContact O-CG 3.25Å; K833-E837 WeakPolarHBondContact O-CG 3.47Å; K833-E837 PolarHBondContact O-N 2.91Å |
| 834 | Q | 82.4 | Confident | 84.8 | Confident | 71 Ų | 71 | 81.4 Ų | 81.4 | 33% | 0.332 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.4 | -33 | 176 | -66.9 | -172.5 | -73 | 0 | 0 | 113.3 | R830 R832 E838 | R830-Q834 PolarHBondContact O-N 2.94Å; R832-Q834 VanDerWaalsContact C-N 3.3Å; R832-Q834 PolarHBondContact O-N 2.89Å; Q834-E838 WeakPolarHBondContact O-CB 3.5Å; Q834-E838 PolarHBondContact O-N 2.92Å |
| 835 | D | 85.1 | Confident | 84.8 | Confident | 43 Ų | 43 | 86 Ų | 86 | 23% | 0.23 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -72.6 | -30.1 | 173.6 | -174.1 | 93.9 | 0 | 0 | 0 | 112.1 | L776 A831 R832 R839 | L776-D835 HydrophobicContact CB-CB 4.1Å; L776-D835 HydrophobicContact CD2-CB 3.72Å; A831-D835 WeakPolarHBondContact O-CB 3.44Å; A831-D835 PolarHBondContact O-N 3.39Å; A831-D835 VanDerWaalsContact O-N 3.11Å; R832-D835 PolarHBondContact O-N 2.82Å; R832-D835 VanDerWaalsContact O-N 3.07Å; D835-R839 WeakPolarHBondContact O-CB 3.31Å; D835-R839 WeakPolarHBondContact O-CG 3.48Å; D835-R839 PolarHBondContact O-N 3.25Å; D835-R839 PolarHBondContact O-NE 3.5Å; D835-R839 IonicContact OD2-CZ 2.63Å; D835-R839 VanDerWaalsContact OD2-CZ 3.22Å; D835-R839 IonicContact OD2-NE 3.04Å; D835-R839 PolarHBondContact OD2-NE 3.04Å; D835-R839 IonicContact OD2-NH2 3.71Å; D835-R839 PolarHBondContact OD2-NH2 3.21Å |
| 836 | E | 85.9 | Confident | 84.8 | Confident | 97 Ų | 97 | 82 Ų | 82 | 45% | 0.453 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70 | -47.8 | 171 | -70.4 | 157.4 | -169.9 | 0 | 0 | 111.1 | R832 K833 E838 R839 E840 | R832-E836 VanDerWaalsContact O-CG 3.31Å; R832-E836 WeakPolarHBondContact O-CG 3.36Å; R832-E836 PolarHBondContact O-N 3.38Å; K833-E836 PolarHBondContact O-N 3.24Å; E836-E838 PolarHBondContact O-N 2.9Å; E836-R839 VanDerWaalsContact CG-NH2 3.26Å; E836-R839 PolarHBondContact O-N 3.13Å; E836-R839 VanDerWaalsContact O-N 3.15Å; E836-E840 WeakPolarHBondContact O-CB 3.14Å; E836-E840 PolarHBondContact O-N 2.89Å |
| 837 | E | 85.6 | Confident | 84.9 | Confident | 87 Ų | 87 | 79.8 Ų | 79.8 | 41% | 0.407 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 172.9 | -72.8 | 164.1 | 178 | 0 | 0 | 112.1 | K833 L841 | K833-E837 IonicContact NZ-OE1 3.69Å; K833-E837 PolarHBondContact NZ-OE1 3.01Å; K833-E837 WeakPolarHBondContact O-CB 3.44Å; K833-E837 VanDerWaalsContact O-CG 3.25Å; K833-E837 WeakPolarHBondContact O-CG 3.47Å; K833-E837 PolarHBondContact O-N 2.91Å; E837-L841 VanDerWaalsContact O-CB 3.28Å; E837-L841 WeakPolarHBondContact O-CB 3.44Å; E837-L841 PolarHBondContact O-N 3.32Å |
| 838 | E | 83.4 | Confident | 85 | Confident | 97 Ų | 97 | 84 Ų | 84 | 45% | 0.453 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.9 | -36.1 | 173.9 | -87.5 | -161 | -137.5 | 0 | 0 | 112.7 | Q834 E836 R842 | Q834-E838 WeakPolarHBondContact O-CB 3.5Å; Q834-E838 PolarHBondContact O-N 2.92Å; E836-E838 PolarHBondContact O-N 2.9Å; E838-R842 VanDerWaalsContact O-CG 3.25Å; E838-R842 WeakPolarHBondContact O-CG 3.44Å; E838-R842 PolarHBondContact O-N 2.8Å; E838-R842 VanDerWaalsContact O-N 3.13Å; E838-R842 IonicContact OE2-CZ 2.67Å; E838-R842 IonicContact OE2-NE 3.92Å; E838-R842 IonicContact OE2-NH2 2.9Å; E838-R842 PolarHBondContact OE2-NH2 2.9Å |
| 839 | R | 84.1 | Confident | 85 | Confident | 118 Ų | 118 | 88.7 Ų | 88.7 | 45% | 0.445 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -70.5 | -44.9 | 176.4 | -84.5 | -178.1 | -83.2 | 112.2 | -5.3 | 111.8 | D835 E836 L841 R842 A843 | D835-R839 WeakPolarHBondContact O-CB 3.31Å; D835-R839 WeakPolarHBondContact O-CG 3.48Å; D835-R839 PolarHBondContact O-N 3.25Å; D835-R839 PolarHBondContact O-NE 3.5Å; D835-R839 IonicContact OD2-CZ 2.63Å; D835-R839 VanDerWaalsContact OD2-CZ 3.22Å; D835-R839 IonicContact OD2-NE 3.04Å; D835-R839 PolarHBondContact OD2-NE 3.04Å; D835-R839 IonicContact OD2-NH2 3.71Å; D835-R839 PolarHBondContact OD2-NH2 3.21Å; E836-R839 VanDerWaalsContact CG-NH2 3.26Å; E836-R839 PolarHBondContact O-N 3.13Å; E836-R839 VanDerWaalsContact O-N 3.15Å; R839-L841 VanDerWaalsContact C-N 3.32Å; R839-L841 PolarHBondContact O-N 2.7Å; R839-R842 PolarHBondContact O-N 3.35Å; R839-A843 WeakPolarHBondContact O-CB 3.41Å; R839-A843 PolarHBondContact O-N 2.96Å |
| 840 | E | 87.1 | Confident | 85 | Confident | 107 Ų | 107 | 88.7 Ų | 88.7 | 50% | 0.5 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 176.4 | -167 | -170.2 | 156.6 | 0 | 0 | 111.4 | E836 K844 | E836-E840 WeakPolarHBondContact O-CB 3.14Å; E836-E840 PolarHBondContact O-N 2.89Å; E840-K844 HydrophobicContact CG-CD 4.44Å; E840-K844 WeakPolarHBondContact O-CB 3.2Å; E840-K844 WeakPolarHBondContact O-CG 3.45Å; E840-K844 PolarHBondContact O-N 3.06Å; E840-K844 VanDerWaalsContact OE1-CE 3.24Å; E840-K844 WeakPolarHBondContact OE1-CE 3.37Å; E840-K844 IonicContact OE1-NZ 3.16Å; E840-K844 PolarHBondContact OE1-NZ 2.86Å |
| 841 | L | 86.1 | Confident | 85.1 | Confident | 106 Ų | 106 | 89.6 Ų | 89.6 | 56% | 0.555 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -67 | -36.3 | 176.5 | -174.6 | 63.9 | 0 | 0 | 0 | 112.7 | E837 R839 Q845 | E837-L841 VanDerWaalsContact O-CB 3.28Å; E837-L841 WeakPolarHBondContact O-CB 3.44Å; E837-L841 PolarHBondContact O-N 3.32Å; R839-L841 VanDerWaalsContact C-N 3.32Å; R839-L841 PolarHBondContact O-N 2.7Å; L841-Q845 WeakPolarHBondContact O-CG 3.4Å; L841-Q845 PolarHBondContact O-N 2.71Å |
| 842 | R | 85.3 | Confident | 85.3 | Confident | 94 Ų | 94 | 93.3 Ų | 93.3 | 36% | 0.355 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.7 | -48.9 | 174 | -72.2 | 174.4 | -147.6 | 166.7 | 10.5 | 111.3 | E838 R839 K844 Q845 E846 | E838-R842 VanDerWaalsContact O-CG 3.25Å; E838-R842 WeakPolarHBondContact O-CG 3.44Å; E838-R842 PolarHBondContact O-N 2.8Å; E838-R842 VanDerWaalsContact O-N 3.13Å; E838-R842 IonicContact OE2-CZ 2.67Å; E838-R842 IonicContact OE2-NE 3.92Å; E838-R842 IonicContact OE2-NH2 2.9Å; E838-R842 PolarHBondContact OE2-NH2 2.9Å; R839-R842 PolarHBondContact O-N 3.35Å; R842-K844 VanDerWaalsContact C-N 3.29Å; R842-K844 PolarHBondContact O-N 3.33Å; R842-Q845 CarbonylContact O-C 3.59Å; R842-Q845 WeakPolarHBondContact O-CA 3.45Å; R842-Q845 WeakPolarHBondContact O-CB 3.45Å; R842-Q845 PolarHBondContact O-N 2.77Å; R842-E846 PolarHBondContact O-N 3.02Å |
| 843 | A | 86.9 | Confident | 85.1 | Confident | 43 Ų | 43 | 94.6 Ų | 94.6 | 36% | 0.355 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -56.4 | -43.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R839 E846 Q847 | R839-A843 WeakPolarHBondContact O-CB 3.41Å; R839-A843 PolarHBondContact O-N 2.96Å; A843-E846 PolarHBondContact O-N 3Å; A843-E846 VanDerWaalsContact O-N 3.15Å; A843-Q847 WeakPolarHBondContact O-CB 3.37Å; A843-Q847 VanDerWaalsContact O-CG 3.31Å; A843-Q847 WeakPolarHBondContact O-CG 3.22Å; A843-Q847 PolarHBondContact O-N 3.43Å |
| 844 | K | 87.7 | Confident | 85 | Confident | 100 Ų | 100 | 94 Ų | 94 | 44% | 0.435 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 172.4 | -75.4 | 173 | -178 | 172.8 | 0 | 112.7 | E840 R842 E846 E848 | E840-K844 HydrophobicContact CG-CD 4.44Å; E840-K844 WeakPolarHBondContact O-CB 3.2Å; E840-K844 WeakPolarHBondContact O-CG 3.45Å; E840-K844 PolarHBondContact O-N 3.06Å; E840-K844 VanDerWaalsContact OE1-CE 3.24Å; E840-K844 WeakPolarHBondContact OE1-CE 3.37Å; E840-K844 IonicContact OE1-NZ 3.16Å; E840-K844 PolarHBondContact OE1-NZ 2.86Å; R842-K844 VanDerWaalsContact C-N 3.29Å; R842-K844 PolarHBondContact O-N 3.33Å; K844-E846 VanDerWaalsContact C-N 3.26Å; K844-E846 PolarHBondContact O-N 3.14Å; K844-E848 WeakPolarHBondContact O-CB 3.45Å; K844-E848 VanDerWaalsContact O-CG 3.31Å; K844-E848 WeakPolarHBondContact O-CG 3.38Å; K844-E848 PolarHBondContact O-N 3.44Å |
| 845 | Q | 82.8 | Confident | 85.2 | Confident | 98 Ų | 98 | 98.4 Ų | 98.4 | 46% | 0.458 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.8 | -22.5 | 174.1 | -77.4 | -170 | 2 | 0 | 0 | 113.5 | L841 R842 K849 | L841-Q845 WeakPolarHBondContact O-CG 3.4Å; L841-Q845 PolarHBondContact O-N 2.71Å; R842-Q845 CarbonylContact O-C 3.59Å; R842-Q845 WeakPolarHBondContact O-CA 3.45Å; R842-Q845 WeakPolarHBondContact O-CB 3.45Å; R842-Q845 PolarHBondContact O-N 2.77Å; Q845-K849 WeakPolarHBondContact O-CE 3.33Å; Q845-K849 WeakPolarHBondContact O-CG 3.46Å; Q845-K849 PolarHBondContact O-N 3.31Å; Q845-K849 PolarHBondContact O-NZ 3.47Å |
| 846 | E | 83.4 | Confident | 85.1 | Confident | 43 Ų | 43 | 97.9 Ų | 97.9 | 20% | 0.201 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -83.1 | -46.5 | 176.3 | -81.7 | 148.1 | 175.6 | 0 | 0 | 109.8 | R842 A843 K844 E848 K849 E850 P930 | R842-E846 PolarHBondContact O-N 3.02Å; A843-E846 PolarHBondContact O-N 3Å; A843-E846 VanDerWaalsContact O-N 3.15Å; K844-E846 VanDerWaalsContact C-N 3.26Å; K844-E846 PolarHBondContact O-N 3.14Å; E846-E848 VanDerWaalsContact C-N 3.32Å; E846-E848 PolarHBondContact O-N 3.4Å; E846-K849 CarbonylContact O-C 3.49Å; E846-K849 WeakPolarHBondContact O-CA 3.27Å; E846-K849 WeakPolarHBondContact O-CB 3.41Å; E846-K849 PolarHBondContact O-N 2.93Å; E846-E850 WeakPolarHBondContact O-CB 3.42Å; E846-E850 WeakPolarHBondContact O-CG 3.46Å; E846-E850 PolarHBondContact O-N 3.07Å; E846-P930 WeakPolarHBondContact OE1-CD 3.13Å; E846-P930 WeakPolarHBondContact OE1-CG 3.34Å |
| 847 | Q | 85.6 | Confident | 85 | Confident | 114 Ų | 114 | 94.8 Ų | 94.8 | 53% | 0.533 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -56.5 | -37.8 | 167.5 | -70.1 | 172 | -5 | 0 | 0 | 113.4 | A843 E850 L851 | A843-Q847 WeakPolarHBondContact O-CB 3.37Å; A843-Q847 VanDerWaalsContact O-CG 3.31Å; A843-Q847 WeakPolarHBondContact O-CG 3.22Å; A843-Q847 PolarHBondContact O-N 3.43Å; Q847-E850 PolarHBondContact O-N 3.27Å; Q847-L851 VanDerWaalsContact O-CB 3.23Å; Q847-L851 WeakPolarHBondContact O-CB 3.19Å; Q847-L851 WeakPolarHBondContact O-CG 3.46Å; Q847-L851 PolarHBondContact O-N 3.15Å |
| 848 | E | 84.4 | Confident | 85 | Confident | 133 Ų | 133 | 96.5 Ų | 96.5 | 62% | 0.621 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -67.3 | -39.3 | 173.2 | -81.2 | 179.5 | 167.9 | 0 | 0 | 112.2 | K844 E846 E850 L852 | K844-E848 WeakPolarHBondContact O-CB 3.45Å; K844-E848 VanDerWaalsContact O-CG 3.31Å; K844-E848 WeakPolarHBondContact O-CG 3.38Å; K844-E848 PolarHBondContact O-N 3.44Å; E846-E848 VanDerWaalsContact C-N 3.32Å; E846-E848 PolarHBondContact O-N 3.4Å; E848-E850 VanDerWaalsContact C-N 3.3Å; E848-L852 WeakPolarHBondContact O-CB 3.34Å; E848-L852 PolarHBondContact O-N 2.68Å |
| 849 | K | 85.8 | Confident | 84.9 | Confident | 108 Ų | 108 | 96.3 Ų | 96.3 | 47% | 0.47 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68.1 | -31.2 | 174.4 | -74 | 176.8 | -146.6 | 92.3 | 0 | 111.7 | Q845 E846 R853 | Q845-K849 WeakPolarHBondContact O-CE 3.33Å; Q845-K849 WeakPolarHBondContact O-CG 3.46Å; Q845-K849 PolarHBondContact O-N 3.31Å; Q845-K849 PolarHBondContact O-NZ 3.47Å; E846-K849 CarbonylContact O-C 3.49Å; E846-K849 WeakPolarHBondContact O-CA 3.27Å; E846-K849 WeakPolarHBondContact O-CB 3.41Å; E846-K849 PolarHBondContact O-N 2.93Å; K849-R853 WeakPolarHBondContact O-CB 3.23Å; K849-R853 PolarHBondContact O-N 3.47Å |
| 850 | E | 84.1 | Confident | 84.7 | Confident | 58 Ų | 58 | 94.1 Ų | 94.1 | 27% | 0.271 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -82.7 | -42 | 180 | -74.6 | 170.4 | 166.3 | 0 | 0 | 112.5 | E846 Q847 E848 L852 R853 Q854 | E846-E850 WeakPolarHBondContact O-CB 3.42Å; E846-E850 WeakPolarHBondContact O-CG 3.46Å; E846-E850 PolarHBondContact O-N 3.07Å; Q847-E850 PolarHBondContact O-N 3.27Å; E848-E850 VanDerWaalsContact C-N 3.3Å; E850-L852 VanDerWaalsContact C-N 3.26Å; E850-L852 PolarHBondContact O-N 3.47Å; E850-R853 CarbonylContact O-C 3.5Å; E850-R853 WeakPolarHBondContact O-CA 3.4Å; E850-R853 PolarHBondContact O-N 2.68Å; E850-R853 VanDerWaalsContact O-N 3.08Å; E850-Q854 WeakPolarHBondContact O-CG 3.43Å; E850-Q854 PolarHBondContact O-N 2.93Å |
| 851 | L | 87.8 | Confident | 84.3 | Confident | 100 Ų | 100 | 91 Ų | 91 | 52% | 0.524 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.1 | -38.5 | 167.2 | -78 | 168.5 | 0 | 0 | 0 | 110.8 | Q847 Q854 K855 | Q847-L851 VanDerWaalsContact O-CB 3.23Å; Q847-L851 WeakPolarHBondContact O-CB 3.19Å; Q847-L851 WeakPolarHBondContact O-CG 3.46Å; Q847-L851 PolarHBondContact O-N 3.15Å; L851-Q854 CarbonylContact O-C 3.34Å; L851-Q854 PolarHBondContact O-N 3.15Å; L851-K855 WeakPolarHBondContact O-CB 3.23Å; L851-K855 WeakPolarHBondContact O-CG 3.37Å; L851-K855 PolarHBondContact O-N 2.93Å |
| 852 | L | 86 | Confident | 84.1 | Confident | 82 Ų | 82 | 90.3 Ų | 90.3 | 43% | 0.429 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61 | -54.8 | 168 | -174.3 | 65.5 | 0 | 0 | 0 | 109.7 | E848 E850 Q854 K855 L856 F917 | E848-L852 WeakPolarHBondContact O-CB 3.34Å; E848-L852 PolarHBondContact O-N 2.68Å; E850-L852 VanDerWaalsContact C-N 3.26Å; E850-L852 PolarHBondContact O-N 3.47Å; L852-Q854 PolarHBondContact O-N 3.32Å; L852-K855 PolarHBondContact O-N 2.94Å; L852-L856 HydrophobicContact CD1-CB 3.86Å; L852-L856 HydrophobicContact CD1-CD1 4.17Å; L852-L856 HydrophobicContact CD1-CG 3.82Å; L852-L856 HydrophobicContact CG-CB 4.3Å; L852-L856 HydrophobicContact CG-CD1 4.09Å; L852-L856 HydrophobicContact CG-CG 4.28Å; L852-L856 VanDerWaalsContact O-CB 3.23Å; L852-L856 WeakPolarHBondContact O-CB 3.38Å; L852-L856 PolarHBondContact O-N 2.96Å; L852-F917 WeakPolarHBondContact O-CE2 3.5Å |
| 853 | R | 83.4 | Confident | 84 | Confident | 164 Ų | 164 | 89.7 Ų | 89.7 | 62% | 0.619 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.3 | -5.8 | 175.2 | -169 | 177.1 | 173.4 | -149.9 | -5.8 | 114.3 | K849 E850 L857 | K849-R853 WeakPolarHBondContact O-CB 3.23Å; K849-R853 PolarHBondContact O-N 3.47Å; E850-R853 CarbonylContact O-C 3.5Å; E850-R853 WeakPolarHBondContact O-CA 3.4Å; E850-R853 PolarHBondContact O-N 2.68Å; E850-R853 VanDerWaalsContact O-N 3.08Å; R853-L857 HydrophobicContact CG-CD1 3.69Å; R853-L857 HydrophobicContact CG-CG 4.21Å; R853-L857 WeakPolarHBondContact O-CB 3.43Å; R853-L857 WeakPolarHBondContact O-CD1 3.11Å; R853-L857 WeakPolarHBondContact O-CG 3.32Å |
| 854 | Q | 83.3 | Confident | 83.7 | Confident | 110 Ų | 110 | 93.1 Ų | 93.1 | 51% | 0.514 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -112.2 | -19.6 | 168 | -68.2 | -177.8 | 12.5 | 0 | 0 | 114.5 | E850 L851 L852 K858 F917 | E850-Q854 WeakPolarHBondContact O-CG 3.43Å; E850-Q854 PolarHBondContact O-N 2.93Å; L851-Q854 CarbonylContact O-C 3.34Å; L851-Q854 PolarHBondContact O-N 3.15Å; L852-Q854 PolarHBondContact O-N 3.32Å; Q854-K858 WeakPolarHBondContact O-CB 3.48Å; Q854-K858 WeakPolarHBondContact O-CD 3.43Å; Q854-K858 WeakPolarHBondContact O-CG 3.44Å; Q854-F917 VanDerWaalsContact C-CZ 3.49Å; Q854-F917 WeakPolarHBondContact O-CZ 3.43Å |
| 855 | K | 85.9 | Confident | 83.6 | Confident | 164 Ų | 164 | 93 Ų | 93 | 71% | 0.713 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -96.3 | -34.3 | -177.6 | -90.9 | -171.5 | 166.9 | -172.3 | 0 | 115.6 | L851 L852 F917 | L851-K855 WeakPolarHBondContact O-CB 3.23Å; L851-K855 WeakPolarHBondContact O-CG 3.37Å; L851-K855 PolarHBondContact O-N 2.93Å; L852-K855 PolarHBondContact O-N 2.94Å; K855-F917 VanDerWaalsContact C-CE2 3.46Å; K855-F917 VanDerWaalsContact CA-CZ 3.48Å; K855-F917 WeakPolarHBondContact O-CE1 3.38Å; K855-F917 WeakPolarHBondContact O-CZ 3.37Å |
| 856 | L | 82.3 | Confident | 83.6 | Confident | 32 Ų | 32 | 95 Ų | 95 | 17% | 0.168 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -72.2 | -71.6 | 153.2 | -163 | -101.3 | 0 | 0 | 0 | 123.6 | L852 K858 E859 Q860 E916 F917 D918 | L852-L856 HydrophobicContact CD1-CB 3.86Å; L852-L856 HydrophobicContact CD1-CD1 4.17Å; L852-L856 HydrophobicContact CD1-CG 3.82Å; L852-L856 HydrophobicContact CG-CB 4.3Å; L852-L856 HydrophobicContact CG-CD1 4.09Å; L852-L856 HydrophobicContact CG-CG 4.28Å; L852-L856 VanDerWaalsContact O-CB 3.23Å; L852-L856 WeakPolarHBondContact O-CB 3.38Å; L852-L856 PolarHBondContact O-N 2.96Å; L856-K858 PolarHBondContact O-N 3.06Å; L856-E859 PolarHBondContact O-N 2.73Å; L856-Q860 PolarHBondContact O-N 2.87Å; L856-E916 HydrophobicContact CD1-CB 3.53Å; L856-E916 HydrophobicContact CD1-CG 3.82Å; L856-E916 WeakPolarHBondContact CD1-OE1 3.42Å; L856-E916 HydrophobicContact CD2-CB 3.5Å; L856-E916 VanDerWaalsContact CD2-CB 3.5Å; L856-E916 HydrophobicContact CD2-CG 4.26Å; L856-E916 HydrophobicContact CG-CB 3.98Å; L856-E916 HydrophobicContact CG-CG 4.41Å; L856-F917 HydrophobicContact CB-CB 4.16Å; L856-F917 HydrophobicContact CB-CD1 3.42Å; L856-F917 VanDerWaalsContact CB-CD1 3.42Å; L856-F917 HydrophobicContact CB-CD2 2.7Å; L856-F917 HydrophobicContact CB-CE1 3.87Å; L856-F917 HydrophobicContact CB-CE2 3.26Å; L856-F917 HydrophobicContact CB-CG 2.85Å; L856-F917 HydrophobicContact CB-CZ 3.85Å; L856-F917 HydrophobicContact CD1-CB 3.8Å; L856-F917 HydrophobicContact CD1-CD2 3.23Å; L856-F917 HydrophobicContact CD1-CG 3.33Å; L856-F917 VanDerWaalsContact CD1-N 3.35Å; L856-F917 HydrophobicContact CD2-CB 3.7Å; L856-F917 HydrophobicContact CD2-CD1 3.61Å; L856-F917 HydrophobicContact CD2-CD2 4.14Å; L856-F917 HydrophobicContact CD2-CG 3.16Å; L856-F917 HydrophobicContact CG-CB 3.94Å; L856-F917 HydrophobicContact CG-CD1 3.96Å; L856-F917 HydrophobicContact CG-CD2 3.39Å; L856-F917 HydrophobicContact CG-CE2 4.48Å; L856-F917 HydrophobicContact CG-CG 3.1Å; L856-F917 VanDerWaalsContact N-CD2 3.34Å; L856-F917 WeakPolarHBondContact O-CB 3.39Å; L856-F917 WeakPolarHBondContact O-CD1 3.39Å; L856-F917 WeakPolarHBondContact O-CD2 3.5Å; L856-F917 WeakPolarHBondContact O-CE1 3.41Å; L856-F917 WeakPolarHBondContact O-CE2 3.23Å; L856-F917 WeakPolarHBondContact O-CG 3.26Å; L856-F917 WeakPolarHBondContact O-CZ 3.26Å; L856-D918 WeakPolarHBondContact O-CA 3.37Å |
| 857 | L | 84.6 | Confident | 83.4 | Confident | 33 Ų | 33 | 98.3 Ų | 98.3 | 17% | 0.173 | 44% | 0.443 | C | S | . | . | H | α-helix | 5.8 | -78.5 | 125.7 | -55 | -148.6 | 0 | 0 | 0 | 116.2 | R853 E859 Q860 E861 F917 E919 | R853-L857 HydrophobicContact CG-CD1 3.69Å; R853-L857 HydrophobicContact CG-CG 4.21Å; R853-L857 WeakPolarHBondContact O-CB 3.43Å; R853-L857 WeakPolarHBondContact O-CD1 3.11Å; R853-L857 WeakPolarHBondContact O-CG 3.32Å; L857-E859 VanDerWaalsContact C-N 3.28Å; L857-E859 PolarHBondContact O-N 3.12Å; L857-E859 VanDerWaalsContact O-N 3.12Å; L857-Q860 PolarHBondContact O-N 2.83Å; L857-E861 PolarHBondContact O-N 2.62Å; L857-F917 VanDerWaalsContact CA-CE2 3.41Å; L857-F917 HydrophobicContact CB-CD2 4.17Å; L857-F917 HydrophobicContact CB-CE2 3.49Å; L857-F917 VanDerWaalsContact CB-CE2 3.49Å; L857-F917 HydrophobicContact CB-CZ 4.16Å; L857-F917 HydrophobicContact CD2-CD2 4.4Å; L857-F917 HydrophobicContact CG-CD2 4.13Å; L857-F917 HydrophobicContact CG-CE2 3.94Å; L857-E919 VanDerWaalsContact C-CB 3.48Å; L857-E919 VanDerWaalsContact CA-N 3.28Å; L857-E919 HydrophobicContact CB-CB 3.36Å; L857-E919 VanDerWaalsContact CB-CD 3.5Å; L857-E919 HydrophobicContact CB-CG 4.06Å; L857-E919 WeakPolarHBondContact CB-OE2 3.41Å; L857-E919 HydrophobicContact CD1-CB 4.2Å; L857-E919 WeakPolarHBondContact CD1-OE1 3.37Å; L857-E919 HydrophobicContact CD2-CB 3.87Å; L857-E919 HydrophobicContact CG-CB 3.92Å; L857-E919 WeakPolarHBondContact O-CB 3.32Å; L857-E919 PolarHBondContact O-N 3.23Å | |
| 858 | K | 85.1 | Confident | 83.3 | Confident | 123 Ų | 123 | 99.8 Ų | 99.8 | 54% | 0.535 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -54.4 | -26.1 | 174.9 | -76.8 | -174.5 | 179 | 165.9 | 0 | 117.3 | Q854 L856 E861 E862 F917 | Q854-K858 WeakPolarHBondContact O-CB 3.48Å; Q854-K858 WeakPolarHBondContact O-CD 3.43Å; Q854-K858 WeakPolarHBondContact O-CG 3.44Å; L856-K858 PolarHBondContact O-N 3.06Å; K858-E861 WeakPolarHBondContact O-CB 3.44Å; K858-E861 PolarHBondContact O-N 3.14Å; K858-E862 PolarHBondContact O-N 3.2Å; K858-E862 VanDerWaalsContact O-N 3.17Å; K858-F917 HydrophobicContact CB-CZ 4.06Å |
| 859 | E | 81.7 | Confident | 83.2 | Confident | 92 Ų | 92 | 98.1 Ų | 98.1 | 43% | 0.43 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -79 | -23.1 | 175.7 | -80.8 | 174.5 | -159.9 | 0 | 0 | 111.4 | L856 L857 E861 E862 K863 F917 | L856-E859 PolarHBondContact O-N 2.73Å; L857-E859 VanDerWaalsContact C-N 3.28Å; L857-E859 PolarHBondContact O-N 3.12Å; L857-E859 VanDerWaalsContact O-N 3.12Å; E859-E861 VanDerWaalsContact C-N 3.27Å; E859-E862 PolarHBondContact O-N 3.16Å; E859-K863 WeakPolarHBondContact O-CB 3.35Å; E859-K863 WeakPolarHBondContact O-CG 3.08Å; E859-K863 PolarHBondContact O-N 3.42Å; E859-K863 PolarHBondContact O-NZ 2.97Å; E859-K863 IonicContact OE2-NZ 2.63Å; E859-K863 PolarHBondContact OE2-NZ 3.36Å; E859-F917 HydrophobicContact CB-CD1 3.66Å; E859-F917 HydrophobicContact CB-CE1 3.34Å; E859-F917 HydrophobicContact CG-CD1 4.01Å; E859-F917 HydrophobicContact CG-CE1 3.5Å |
| 860 | Q | 79 | Confident | 83 | Confident | 73 Ų | 73 | 99.1 Ų | 99.1 | 34% | 0.341 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -73 | -28.6 | 167.6 | -154.2 | -172.2 | 82.1 | 0 | 0 | 110.2 | L856 L857 E862 K863 R864 D918 E919 | L856-Q860 PolarHBondContact O-N 2.87Å; L857-Q860 PolarHBondContact O-N 2.83Å; Q860-E862 VanDerWaalsContact C-N 3.26Å; Q860-E862 PolarHBondContact O-N 2.77Å; Q860-K863 PolarHBondContact O-N 3.5Å; Q860-R864 WeakPolarHBondContact O-CA 3.47Å; Q860-R864 WeakPolarHBondContact O-CB 3.47Å; Q860-R864 PolarHBondContact O-N 3.44Å; Q860-D918 VanDerWaalsContact CA-OD2 3.28Å; Q860-D918 WeakPolarHBondContact CA-OD2 3.45Å; Q860-D918 HydrophobicContact CB-CB 3.5Å; Q860-D918 VanDerWaalsContact CB-CB 3.5Å; Q860-D918 WeakPolarHBondContact CB-OD2 3.36Å; Q860-D918 HydrophobicContact CG-CB 3.87Å; Q860-D918 WeakPolarHBondContact CG-OD2 3.36Å; Q860-D918 PolarHBondContact N-OD1 3.43Å; Q860-D918 PolarHBondContact N-OD2 2.99Å; Q860-D918 PolarHBondContact NE2-O 2.87Å; Q860-E919 CarbonylContact C-O 3.58Å; Q860-E919 VanDerWaalsContact CB-O 3.29Å; Q860-E919 WeakPolarHBondContact CB-O 3.47Å; Q860-E919 VanDerWaalsContact OE1-C 3.26Å; Q860-E919 PolarHBondContact OE1-O 3.24Å |
| 861 | E | 79.6 | Confident | 82.8 | Confident | 40 Ų | 40 | 102.1 Ų | 102.1 | 19% | 0.187 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -58.1 | -46 | 169.7 | -57.7 | -147.2 | 138.1 | 0 | 0 | 110.5 | L857 K858 E859 L865 E919 F920 V921 | L857-E861 PolarHBondContact O-N 2.62Å; K858-E861 WeakPolarHBondContact O-CB 3.44Å; K858-E861 PolarHBondContact O-N 3.14Å; E859-E861 VanDerWaalsContact C-N 3.27Å; E861-L865 VanDerWaalsContact O-CB 3.25Å; E861-L865 WeakPolarHBondContact O-CB 3.4Å; E861-L865 PolarHBondContact O-N 2.98Å; E861-E919 WeakPolarHBondContact CG-O 3.33Å; E861-E919 PolarHBondContact N-O 3.39Å; E861-F920 HydrophobicContact CB-CD2 3.67Å; E861-F920 HydrophobicContact CB-CE2 3.52Å; E861-F920 HydrophobicContact CB-CZ 4.36Å; E861-F920 HydrophobicContact CG-CB 4.47Å; E861-F920 HydrophobicContact CG-CD2 3.45Å; E861-F920 VanDerWaalsContact CG-CD2 3.45Å; E861-F920 HydrophobicContact CG-CE2 3.67Å; E861-F920 HydrophobicContact CG-CG 3.94Å; E861-F920 HydrophobicContact CG-CZ 4.3Å; E861-F920 WeakPolarHBondContact OE1-CA 3.21Å; E861-F920 WeakPolarHBondContact OE1-CD1 3.44Å; E861-F920 WeakPolarHBondContact OE1-CD2 3.46Å; E861-F920 VanDerWaalsContact OE1-CE1 3.26Å; E861-F920 WeakPolarHBondContact OE1-CE1 3.48Å; E861-F920 WeakPolarHBondContact OE1-CG 3.37Å; E861-F920 WeakPolarHBondContact OE1-CZ 3.48Å; E861-V921 WeakPolarHBondContact OE1-CB 3.38Å; E861-V921 WeakPolarHBondContact OE1-CG2 3.34Å; E861-V921 PolarHBondContact OE1-N 3.31Å |
| 862 | E | 81.3 | Confident | 82.7 | Confident | 93 Ų | 93 | 103.3 Ų | 103.3 | 44% | 0.435 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.4 | -45.2 | 174.5 | -144 | -157.3 | 154.5 | 0 | 0 | 113.3 | K858 E859 Q860 R864 L865 R866 | K858-E862 PolarHBondContact O-N 3.2Å; K858-E862 VanDerWaalsContact O-N 3.17Å; E859-E862 PolarHBondContact O-N 3.16Å; Q860-E862 VanDerWaalsContact C-N 3.26Å; Q860-E862 PolarHBondContact O-N 2.77Å; E862-R864 PolarHBondContact O-N 3.2Å; E862-L865 PolarHBondContact O-N 3.32Å; E862-R866 WeakPolarHBondContact O-CB 3.08Å; E862-R866 VanDerWaalsContact O-CG 3.24Å; E862-R866 WeakPolarHBondContact O-CG 3.28Å; E862-R866 PolarHBondContact O-N 3.23Å; E862-R866 IonicContact OE1-CZ 2.83Å; E862-R866 IonicContact OE1-NE 2.78Å; E862-R866 PolarHBondContact OE1-NE 2.66Å; E862-R866 IonicContact OE1-NH2 3.71Å; E862-R866 PolarHBondContact OE1-NH2 2.89Å; E862-R866 IonicContact OE2-CZ 2.78Å; E862-R866 IonicContact OE2-NE 4Å; E862-R866 IonicContact OE2-NH2 3Å; E862-R866 PolarHBondContact OE2-NH2 3.44Å |
| 863 | K | 83.1 | Confident | 82.7 | Confident | 80 Ų | 80 | 104.1 Ų | 104.1 | 35% | 0.348 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 178.4 | -70.2 | 175.6 | -156 | 82.7 | 0 | 111 | E859 Q860 L865 R866 E867 D918 | E859-K863 WeakPolarHBondContact O-CB 3.35Å; E859-K863 WeakPolarHBondContact O-CG 3.08Å; E859-K863 PolarHBondContact O-N 3.42Å; E859-K863 PolarHBondContact O-NZ 2.97Å; E859-K863 IonicContact OE2-NZ 2.63Å; E859-K863 PolarHBondContact OE2-NZ 3.36Å; Q860-K863 PolarHBondContact O-N 3.5Å; K863-L865 VanDerWaalsContact C-N 3.32Å; K863-L865 PolarHBondContact O-N 2.83Å; K863-R866 PolarHBondContact O-N 3.16Å; K863-E867 WeakPolarHBondContact O-CG 3.46Å; K863-E867 PolarHBondContact O-N 3.11Å; K863-D918 WeakPolarHBondContact CD-OD2 3.48Å; K863-D918 IonicContact NZ-OD1 2.71Å; K863-D918 PolarHBondContact NZ-OD1 3.32Å; K863-D918 IonicContact NZ-OD2 3.82Å; K863-D918 PolarHBondContact NZ-OD2 2.89Å |
| 864 | R | 81.8 | Confident | 82.7 | Confident | 115 Ų | 115 | 101.6 Ų | 101.6 | 43% | 0.434 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.3 | -33.8 | 176.7 | -165.1 | -171.6 | 78.2 | 154.8 | 1.8 | 111.8 | Q860 E862 K868 F920 | Q860-R864 WeakPolarHBondContact O-CA 3.47Å; Q860-R864 WeakPolarHBondContact O-CB 3.47Å; Q860-R864 PolarHBondContact O-N 3.44Å; E862-R864 PolarHBondContact O-N 3.2Å; R864-K868 VanDerWaalsContact O-CB 3.3Å; R864-K868 WeakPolarHBondContact O-CB 3.21Å; R864-K868 PolarHBondContact O-N 2.83Å; R864-K868 VanDerWaalsContact O-N 3.09Å; R864-F920 VanDerWaalsContact CZ-CB 3.46Å |
| 865 | L | 83.8 | Confident | 82.6 | Confident | 97 Ų | 97 | 102.3 Ų | 102.3 | 51% | 0.508 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.8 | -43.2 | 172.8 | -160 | 81.8 | 0 | 0 | 0 | 111.5 | E861 E862 K863 K868 E869 | E861-L865 VanDerWaalsContact O-CB 3.25Å; E861-L865 WeakPolarHBondContact O-CB 3.4Å; E861-L865 PolarHBondContact O-N 2.98Å; E862-L865 PolarHBondContact O-N 3.32Å; K863-L865 VanDerWaalsContact C-N 3.32Å; K863-L865 PolarHBondContact O-N 2.83Å; L865-K868 CarbonylContact O-C 3.22Å; L865-K868 WeakPolarHBondContact O-CB 3.47Å; L865-K868 PolarHBondContact O-N 2.85Å; L865-E869 PolarHBondContact O-N 2.88Å |
| 866 | R | 82.8 | Confident | 82.5 | Confident | 140 Ų | 140 | 98.8 Ų | 98.8 | 53% | 0.528 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 174.9 | -70.7 | 171.2 | -176.8 | -171.6 | 7.6 | 111.4 | E862 K863 K868 E869 E870 | E862-R866 WeakPolarHBondContact O-CB 3.08Å; E862-R866 VanDerWaalsContact O-CG 3.24Å; E862-R866 WeakPolarHBondContact O-CG 3.28Å; E862-R866 PolarHBondContact O-N 3.23Å; E862-R866 IonicContact OE1-CZ 2.83Å; E862-R866 IonicContact OE1-NE 2.78Å; E862-R866 PolarHBondContact OE1-NE 2.66Å; E862-R866 IonicContact OE1-NH2 3.71Å; E862-R866 PolarHBondContact OE1-NH2 2.89Å; E862-R866 IonicContact OE2-CZ 2.78Å; E862-R866 IonicContact OE2-NE 4Å; E862-R866 IonicContact OE2-NH2 3Å; E862-R866 PolarHBondContact OE2-NH2 3.44Å; K863-R866 PolarHBondContact O-N 3.16Å; R866-K868 VanDerWaalsContact C-N 3.29Å; R866-K868 PolarHBondContact O-N 3.27Å; R866-E869 WeakPolarHBondContact O-CB 3.36Å; R866-E869 PolarHBondContact O-N 3.41Å; R866-E870 PolarHBondContact O-N 3.42Å |
| 867 | E | 80.5 | Confident | 82.5 | Confident | 114 Ų | 114 | 102.1 Ų | 102.1 | 53% | 0.533 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -56.9 | -42.2 | 172.1 | -75.8 | -179.1 | 168.5 | 0 | 0 | 111.8 | K863 E870 Q871 | K863-E867 WeakPolarHBondContact O-CG 3.46Å; K863-E867 PolarHBondContact O-N 3.11Å; E867-E870 PolarHBondContact O-N 3.28Å; E867-Q871 WeakPolarHBondContact O-CB 3.44Å; E867-Q871 VanDerWaalsContact O-CG 3.28Å; E867-Q871 WeakPolarHBondContact O-CG 3.42Å; E867-Q871 PolarHBondContact O-N 3.25Å |
| 868 | K | 83.1 | Confident | 82.4 | Confident | 144 Ų | 144 | 109 Ų | 109 | 63% | 0.626 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.9 | -34.7 | 177.7 | -165.7 | 175.1 | -176 | 179.9 | 0 | 112.4 | R864 L865 R866 K872 | R864-K868 VanDerWaalsContact O-CB 3.3Å; R864-K868 WeakPolarHBondContact O-CB 3.21Å; R864-K868 PolarHBondContact O-N 2.83Å; R864-K868 VanDerWaalsContact O-N 3.09Å; L865-K868 CarbonylContact O-C 3.22Å; L865-K868 WeakPolarHBondContact O-CB 3.47Å; L865-K868 PolarHBondContact O-N 2.85Å; R866-K868 VanDerWaalsContact C-N 3.29Å; R866-K868 PolarHBondContact O-N 3.27Å; K868-K872 WeakPolarHBondContact O-CB 3.47Å; K868-K872 PolarHBondContact O-N 3.34Å |
| 869 | E | 82.4 | Confident | 82.2 | Confident | 99 Ų | 99 | 106 Ų | 106 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.9 | -41.8 | 169.8 | -81.5 | -155.4 | 179.1 | 0 | 0 | 112.7 | L865 R866 K872 K873 | L865-E869 PolarHBondContact O-N 2.88Å; R866-E869 WeakPolarHBondContact O-CB 3.36Å; R866-E869 PolarHBondContact O-N 3.41Å; E869-K872 PolarHBondContact O-N 2.7Å; E869-K873 WeakPolarHBondContact O-CB 3.27Å; E869-K873 WeakPolarHBondContact O-CD 3.33Å; E869-K873 VanDerWaalsContact O-CG 3.27Å; E869-K873 WeakPolarHBondContact O-CG 3.34Å; E869-K873 PolarHBondContact O-N 3.12Å; E869-K873 WeakPolarHBondContact OE2-CE 3.19Å; E869-K873 IonicContact OE2-NZ 2.62Å; E869-K873 PolarHBondContact OE2-NZ 3.03Å |
| 870 | E | 82.1 | Confident | 82.1 | Confident | 128 Ų | 128 | 106.8 Ų | 106.8 | 60% | 0.598 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.1 | -41.7 | 176.3 | -74.1 | -170.7 | 171.2 | 0 | 0 | 111.1 | R866 E867 K872 K873 L874 | R866-E870 PolarHBondContact O-N 3.42Å; E867-E870 PolarHBondContact O-N 3.28Å; E870-K872 VanDerWaalsContact C-N 3.33Å; E870-K872 PolarHBondContact O-N 3.43Å; E870-K873 PolarHBondContact O-N 3.44Å; E870-L874 WeakPolarHBondContact O-CB 3.27Å; E870-L874 VanDerWaalsContact O-CG 3.32Å; E870-L874 WeakPolarHBondContact O-CG 3.37Å; E870-L874 PolarHBondContact O-N 2.86Å |
| 871 | Q | 79.5 | Confident | 82.2 | Confident | 121 Ų | 121 | 110.3 Ų | 110.3 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.5 | -42.5 | 170.2 | -72.2 | 173.4 | 25.3 | 0 | 0 | 111.9 | E867 L874 L875 | E867-Q871 WeakPolarHBondContact O-CB 3.44Å; E867-Q871 VanDerWaalsContact O-CG 3.28Å; E867-Q871 WeakPolarHBondContact O-CG 3.42Å; E867-Q871 PolarHBondContact O-N 3.25Å; Q871-L874 PolarHBondContact O-N 2.67Å; Q871-L875 VanDerWaalsContact O-CG 3.3Å; Q871-L875 WeakPolarHBondContact O-CG 3.31Å; Q871-L875 PolarHBondContact O-N 3.02Å |
| 872 | K | 86 | Confident | 82.1 | Confident | 125 Ų | 125 | 112.4 Ų | 112.4 | 54% | 0.543 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 175.6 | -172.4 | 175.5 | -176.9 | -82.4 | 0 | 112.2 | K868 E869 E870 L874 L875 E876 | K868-K872 WeakPolarHBondContact O-CB 3.47Å; K868-K872 PolarHBondContact O-N 3.34Å; E869-K872 PolarHBondContact O-N 2.7Å; E870-K872 VanDerWaalsContact C-N 3.33Å; E870-K872 PolarHBondContact O-N 3.43Å; K872-L874 VanDerWaalsContact C-N 3.34Å; K872-L874 PolarHBondContact O-N 2.95Å; K872-L875 PolarHBondContact O-N 3.11Å; K872-L875 VanDerWaalsContact O-N 3.17Å; K872-E876 WeakPolarHBondContact CE-OE1 3.37Å; K872-E876 IonicContact NZ-OE1 3.36Å; K872-E876 PolarHBondContact NZ-OE1 3.11Å; K872-E876 WeakPolarHBondContact O-CG 3.48Å; K872-E876 PolarHBondContact O-N 2.93Å |
| 873 | K | 85.4 | Confident | 81.8 | Confident | 100 Ų | 100 | 112.2 Ų | 112.2 | 44% | 0.435 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -38.1 | 177.1 | -70.2 | 161.3 | -168.6 | 164.3 | 0 | 111.3 | E869 E870 E876 Q877 | E869-K873 WeakPolarHBondContact O-CB 3.27Å; E869-K873 WeakPolarHBondContact O-CD 3.33Å; E869-K873 VanDerWaalsContact O-CG 3.27Å; E869-K873 WeakPolarHBondContact O-CG 3.34Å; E869-K873 PolarHBondContact O-N 3.12Å; E869-K873 WeakPolarHBondContact OE2-CE 3.19Å; E869-K873 IonicContact OE2-NZ 2.62Å; E869-K873 PolarHBondContact OE2-NZ 3.03Å; E870-K873 PolarHBondContact O-N 3.44Å; K873-E876 PolarHBondContact O-N 3.12Å; K873-Q877 WeakPolarHBondContact O-CB 3.44Å; K873-Q877 VanDerWaalsContact O-CG 3.27Å; K873-Q877 WeakPolarHBondContact O-CG 3.34Å; K873-Q877 PolarHBondContact O-N 3.09Å |
| 874 | L | 82.9 | Confident | 81.6 | Confident | 111 Ų | 111 | 113.6 Ų | 113.6 | 58% | 0.581 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.6 | -39.5 | 171.8 | -78.2 | 165 | 0 | 0 | 0 | 112.3 | E870 Q871 K872 R878 | E870-L874 WeakPolarHBondContact O-CB 3.27Å; E870-L874 VanDerWaalsContact O-CG 3.32Å; E870-L874 WeakPolarHBondContact O-CG 3.37Å; E870-L874 PolarHBondContact O-N 2.86Å; Q871-L874 PolarHBondContact O-N 2.67Å; K872-L874 VanDerWaalsContact C-N 3.34Å; K872-L874 PolarHBondContact O-N 2.95Å; L874-R878 VanDerWaalsContact O-CB 3.22Å; L874-R878 WeakPolarHBondContact O-CB 3.18Å; L874-R878 PolarHBondContact O-N 2.89Å |
| 875 | L | 81.3 | Confident | 81.1 | Confident | 125 Ų | 125 | 112.1 Ų | 112.1 | 65% | 0.654 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.1 | -40.5 | 174.9 | -73.9 | 166 | 0 | 0 | 0 | 112.4 | Q871 K872 R878 A879 | Q871-L875 VanDerWaalsContact O-CG 3.3Å; Q871-L875 WeakPolarHBondContact O-CG 3.31Å; Q871-L875 PolarHBondContact O-N 3.02Å; K872-L875 PolarHBondContact O-N 3.11Å; K872-L875 VanDerWaalsContact O-N 3.17Å; L875-R878 WeakPolarHBondContact O-CB 3.22Å; L875-R878 PolarHBondContact O-N 3.41Å; L875-A879 PolarHBondContact O-N 2.94Å |
| 876 | E | 84.2 | Confident | 80.6 | Confident | 89 Ų | 89 | 112.5 Ų | 112.5 | 42% | 0.416 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.8 | -44.1 | 174.9 | -74.5 | 173.3 | -170.8 | 0 | 0 | 111.9 | K872 K873 R878 A879 Q880 | K872-E876 WeakPolarHBondContact CE-OE1 3.37Å; K872-E876 IonicContact NZ-OE1 3.36Å; K872-E876 PolarHBondContact NZ-OE1 3.11Å; K872-E876 WeakPolarHBondContact O-CG 3.48Å; K872-E876 PolarHBondContact O-N 2.93Å; K873-E876 PolarHBondContact O-N 3.12Å; E876-R878 VanDerWaalsContact C-N 3.29Å; E876-R878 PolarHBondContact O-N 2.92Å; E876-A879 PolarHBondContact O-N 2.64Å; E876-Q880 WeakPolarHBondContact O-CG 3.3Å; E876-Q880 PolarHBondContact O-N 3.18Å |
| 877 | Q | 82.3 | Confident | 79.7 | Confident | 102 Ų | 102 | 110.3 Ų | 110.3 | 48% | 0.477 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.4 | -41.2 | 170.1 | -75.1 | 178.9 | 11.3 | 0 | 0 | 111 | K873 A879 Q880 Y881 | K873-Q877 WeakPolarHBondContact O-CB 3.44Å; K873-Q877 VanDerWaalsContact O-CG 3.27Å; K873-Q877 WeakPolarHBondContact O-CG 3.34Å; K873-Q877 PolarHBondContact O-N 3.09Å; Q877-A879 VanDerWaalsContact C-N 3.35Å; Q877-A879 PolarHBondContact O-N 3.16Å; Q877-Q880 PolarHBondContact O-N 2.95Å; Q877-Y881 HydrophobicContact CB-CD2 4.49Å; Q877-Y881 WeakPolarHBondContact O-CB 3.17Å; Q877-Y881 WeakPolarHBondContact O-CD2 3.45Å; Q877-Y881 PolarHBondContact O-N 3.07Å |
| 878 | R | 82.4 | Confident | 78.8 | Confident | 177 Ų | 177 | 109.7 Ų | 109.7 | 67% | 0.668 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.9 | -40.9 | 176.4 | -175.2 | 63.8 | 178.3 | -173.2 | 3.6 | 111.9 | L874 L875 E876 Y881 V882 | L874-R878 VanDerWaalsContact O-CB 3.22Å; L874-R878 WeakPolarHBondContact O-CB 3.18Å; L874-R878 PolarHBondContact O-N 2.89Å; L875-R878 WeakPolarHBondContact O-CB 3.22Å; L875-R878 PolarHBondContact O-N 3.41Å; E876-R878 VanDerWaalsContact C-N 3.29Å; E876-R878 PolarHBondContact O-N 2.92Å; R878-Y881 PolarHBondContact O-N 3.36Å; R878-V882 WeakPolarHBondContact O-CG2 3.46Å; R878-V882 PolarHBondContact O-N 3.21Å |
| 879 | A | 80.8 | Confident | 77.6 | Confident | 61 Ų | 61 | 108.7 Ų | 108.7 | 50% | 0.504 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | L875 E876 Q877 Y881 V882 E883 | L875-A879 PolarHBondContact O-N 2.94Å; E876-A879 PolarHBondContact O-N 2.64Å; Q877-A879 VanDerWaalsContact C-N 3.35Å; Q877-A879 PolarHBondContact O-N 3.16Å; A879-Y881 VanDerWaalsContact C-N 3.29Å; A879-Y881 PolarHBondContact O-N 2.89Å; A879-V882 PolarHBondContact O-N 3.28Å; A879-V882 VanDerWaalsContact O-N 3.15Å; A879-E883 PolarHBondContact O-N 3.23Å |
| 880 | Q | 80.9 | Confident | 76.2 | Confident | 109 Ų | 109 | 111.1 Ų | 111.1 | 51% | 0.509 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.2 | -37.7 | 172.9 | -69.8 | -176.5 | 26.3 | 0 | 0 | 112.3 | E876 Q877 K884 | E876-Q880 WeakPolarHBondContact O-CG 3.3Å; E876-Q880 PolarHBondContact O-N 3.18Å; Q877-Q880 PolarHBondContact O-N 2.95Å; Q880-K884 VanDerWaalsContact O-CB 3.26Å; Q880-K884 WeakPolarHBondContact O-CB 3.47Å; Q880-K884 WeakPolarHBondContact O-CD 3.21Å; Q880-K884 WeakPolarHBondContact O-CG 3.2Å; Q880-K884 PolarHBondContact O-N 3.44Å |
| 881 | Y | 79.7 | Confident | 74.6 | Confident | 147 Ų | 147 | 113.9 Ų | 113.9 | 58% | 0.576 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.9 | -37.3 | 174.1 | -87.2 | -64.3 | 0 | 0 | 0 | 111.7 | Q877 R878 A879 K884 T885 | Q877-Y881 HydrophobicContact CB-CD2 4.49Å; Q877-Y881 WeakPolarHBondContact O-CB 3.17Å; Q877-Y881 WeakPolarHBondContact O-CD2 3.45Å; Q877-Y881 PolarHBondContact O-N 3.07Å; R878-Y881 PolarHBondContact O-N 3.36Å; A879-Y881 VanDerWaalsContact C-N 3.29Å; A879-Y881 PolarHBondContact O-N 2.89Å; Y881-K884 PolarHBondContact O-N 3.31Å; Y881-T885 VanDerWaalsContact O-CB 3.22Å; Y881-T885 WeakPolarHBondContact O-CB 3.32Å; Y881-T885 PolarHBondContact O-N 3.37Å; Y881-T885 PolarHBondContact O-OG1 3.4Å |
| 882 | V | 78.5 | Confident | 73 | Confident | 84 Ų | 84 | 112.3 Ų | 112.3 | 51% | 0.509 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 173.8 | 167.5 | 0 | 0 | 0 | 0 | 111.3 | R878 A879 T885 K886 | R878-V882 WeakPolarHBondContact O-CG2 3.46Å; R878-V882 PolarHBondContact O-N 3.21Å; A879-V882 PolarHBondContact O-N 3.28Å; A879-V882 VanDerWaalsContact O-N 3.15Å; V882-T885 PolarHBondContact O-N 3.21Å; V882-K886 WeakPolarHBondContact O-CB 3.47Å; V882-K886 PolarHBondContact O-N 3.07Å |
| 883 | E | 75.3 | Confident | 70.8 | Confident | 89 Ų | 89 | 109.1 Ų | 109.1 | 42% | 0.416 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -70.8 | -34.8 | 179.6 | -164.2 | 67.3 | -171.9 | 0 | 0 | 112.1 | A879 K886 N887 | A879-E883 PolarHBondContact O-N 3.23Å; E883-K886 WeakPolarHBondContact O-CB 3.32Å; E883-K886 PolarHBondContact O-N 2.83Å; E883-K886 IonicContact OE1-NZ 2.65Å; E883-K886 PolarHBondContact OE1-NZ 3.37Å; E883-K886 WeakPolarHBondContact OE2-CD 3.49Å; E883-K886 IonicContact OE2-NZ 2.94Å; E883-K886 PolarHBondContact OE2-NZ 3.27Å; E883-N887 PolarHBondContact O-N 2.68Å |
| 884 | K | 79.1 | Confident | 68.4 | Low | 108 Ų | 108 | 112.4 Ų | 112.4 | 47% | 0.47 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.5 | -41.6 | 169.1 | -75.1 | 166.7 | -179.5 | 166.2 | 0 | 111.7 | Q880 Y881 N887 I888 | Q880-K884 VanDerWaalsContact O-CB 3.26Å; Q880-K884 WeakPolarHBondContact O-CB 3.47Å; Q880-K884 WeakPolarHBondContact O-CD 3.21Å; Q880-K884 WeakPolarHBondContact O-CG 3.2Å; Q880-K884 PolarHBondContact O-N 3.44Å; Y881-K884 PolarHBondContact O-N 3.31Å; K884-N887 PolarHBondContact O-N 3.21Å; K884-I888 WeakPolarHBondContact O-CB 3.49Å; K884-I888 WeakPolarHBondContact O-CD1 3.4Å; K884-I888 WeakPolarHBondContact O-CG1 3.23Å; K884-I888 PolarHBondContact O-N 3.41Å |
| 885 | T | 71 | Confident | 66.1 | Low | 84 Ų | 84 | 113.6 Ų | 113.6 | 52% | 0.515 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.7 | -37.4 | 175.9 | -68.8 | 0 | 0 | 0 | 0 | 111.4 | Y881 V882 I888 L889 | Y881-T885 VanDerWaalsContact O-CB 3.22Å; Y881-T885 WeakPolarHBondContact O-CB 3.32Å; Y881-T885 PolarHBondContact O-N 3.37Å; Y881-T885 PolarHBondContact O-OG1 3.4Å; V882-T885 PolarHBondContact O-N 3.21Å; T885-I888 PolarHBondContact O-N 3.09Å; T885-L889 WeakPolarHBondContact O-CB 3.45Å; T885-L889 PolarHBondContact O-N 3.25Å |
| 886 | K | 73 | Confident | 63.6 | Low | 106 Ų | 106 | 117.1 Ų | 117.1 | 46% | 0.461 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.3 | -44.6 | 171.5 | 176.9 | -164.1 | -178.5 | -171.1 | 0 | 111.6 | V882 E883 L889 M890 | V882-K886 WeakPolarHBondContact O-CB 3.47Å; V882-K886 PolarHBondContact O-N 3.07Å; E883-K886 WeakPolarHBondContact O-CB 3.32Å; E883-K886 PolarHBondContact O-N 2.83Å; E883-K886 IonicContact OE1-NZ 2.65Å; E883-K886 PolarHBondContact OE1-NZ 3.37Å; E883-K886 WeakPolarHBondContact OE2-CD 3.49Å; E883-K886 IonicContact OE2-NZ 2.94Å; E883-K886 PolarHBondContact OE2-NZ 3.27Å; K886-L889 PolarHBondContact O-N 3.1Å; K886-M890 WeakPolarHBondContact O-CG 3.21Å; K886-M890 PolarHBondContact O-N 2.94Å |
| 887 | N | 63.3 | Low | 61.6 | Low | 93 Ų | 93 | 116.9 Ų | 116.9 | 50% | 0.497 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69 | -36.5 | 175.4 | -70.7 | -11.3 | 0 | 0 | 0 | 112.9 | E883 K884 M890 F891 | E883-N887 PolarHBondContact O-N 2.68Å; K884-N887 PolarHBondContact O-N 3.21Å; N887-M890 PolarHBondContact O-N 3.27Å; N887-F891 WeakPolarHBondContact O-CB 3.46Å; N887-F891 PolarHBondContact O-N 3.45Å |
| 888 | I | 62.1 | Low | 59.7 | Low | 101 Ų | 101 | 118.3 Ų | 118.3 | 52% | 0.518 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.5 | -40 | 173 | -69 | 161.3 | 0 | 0 | 0 | 110.2 | K884 T885 M890 F891 T892 | K884-I888 WeakPolarHBondContact O-CB 3.49Å; K884-I888 WeakPolarHBondContact O-CD1 3.4Å; K884-I888 WeakPolarHBondContact O-CG1 3.23Å; K884-I888 PolarHBondContact O-N 3.41Å; T885-I888 PolarHBondContact O-N 3.09Å; I888-M890 VanDerWaalsContact C-N 3.31Å; I888-M890 PolarHBondContact O-N 2.91Å; I888-F891 CarbonylContact O-C 3.49Å; I888-F891 WeakPolarHBondContact O-CA 3.25Å; I888-F891 PolarHBondContact O-N 3.35Å; I888-T892 HydrophobicContact CG2-CG2 4.3Å; I888-T892 PolarHBondContact O-N 2.92Å; I888-T892 PolarHBondContact O-OG1 3.16Å |
| 889 | L | 57.3 | Low | 57.9 | Low | 123 Ų | 123 | 118.4 Ų | 118.4 | 64% | 0.644 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.4 | -35.4 | 176.2 | -171.7 | 70.5 | 0 | 0 | 0 | 111.9 | T885 K886 T892 | T885-L889 WeakPolarHBondContact O-CB 3.45Å; T885-L889 PolarHBondContact O-N 3.25Å; K886-L889 PolarHBondContact O-N 3.1Å; L889-T892 CarbonylContact O-C 3.24Å |
| 890 | M | 52.3 | Low | 56.1 | Low | 150 Ų | 150 | 124 Ų | 124 | 74% | 0.739 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.6 | -33.5 | 170.7 | -62.3 | -103.2 | -68.7 | 0 | 0 | 112 | K886 N887 I888 G893 | K886-M890 WeakPolarHBondContact O-CG 3.21Å; K886-M890 PolarHBondContact O-N 2.94Å; N887-M890 PolarHBondContact O-N 3.27Å; I888-M890 VanDerWaalsContact C-N 3.31Å; I888-M890 PolarHBondContact O-N 2.91Å; M890-G893 PolarHBondContact O-N 2.99Å |
| 891 | F | 49.7 | Very low | 54.4 | Low | 187 Ų | 187 | 128.1 Ų | 128.1 | 82% | 0.82 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -80.5 | -29.3 | 178.6 | -170.8 | -98.9 | 0 | 0 | 0 | 113.2 | N887 I888 G893 | N887-F891 WeakPolarHBondContact O-CB 3.46Å; N887-F891 PolarHBondContact O-N 3.45Å; I888-F891 CarbonylContact O-C 3.49Å; I888-F891 WeakPolarHBondContact O-CA 3.25Å; I888-F891 PolarHBondContact O-N 3.35Å; F891-G893 PolarHBondContact O-N 2.86Å |
| 892 | T | 44.9 | Very low | 52.5 | Low | 88 Ų | 88 | 130.6 Ų | 130.6 | 54% | 0.54 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89 | 32.4 | 167.7 | 64.1 | 0 | 0 | 0 | 0 | 111.2 | I888 L889 E894 | I888-T892 HydrophobicContact CG2-CG2 4.3Å; I888-T892 PolarHBondContact O-N 2.92Å; I888-T892 PolarHBondContact O-OG1 3.16Å; L889-T892 CarbonylContact O-C 3.24Å; T892-E894 PolarHBondContact O-N 3.38Å; T892-E894 VanDerWaalsContact O-N 3.16Å |
| 893 | G | 41.1 | Very low | 50.7 | Low | 58 Ų | 58 | 138.6 Ų | 138.6 | 60% | 0.598 | 69% | 0.693 | S | S | * | * | trans | -72.8 | 7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | M890 F891 | M890-G893 PolarHBondContact O-N 2.99Å; F891-G893 PolarHBondContact O-N 2.86Å | ||
| 894 | E | 35.5 | Very low | 48.9 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 79% | 0.79 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -147 | 126 | 172.3 | -114.7 | 164.1 | -148.8 | 0 | 0 | 112 | T892 | T892-E894 PolarHBondContact O-N 3.38Å; T892-E894 VanDerWaalsContact O-N 3.16Å |
| 895 | T | 32.6 | Very low | 47 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 83% | 0.828 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 73.9 | 118.3 | 169.3 | 62.2 | 0 | 0 | 0 | 0 | 121.3 | ||
| 896 | E | 30.3 | Very low | 45.4 | Very low | 200 Ų | 200 | 137.8 Ų | 137.8 | 94% | 0.935 | 76% | 0.755 | S | S | * | * | trans | 69.5 | 160.5 | 156 | -54.6 | -147.2 | 131.7 | 0 | 0 | 121.1 | ||||
| 897 | A | 41.9 | Very low | 43.7 | Very low | 84 Ų | 84 | 137 Ų | 137 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | trans | -150.1 | 175 | -151.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 898 | T | 41.6 | Very low | 42.5 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | 80.1 | 152.8 | -176.1 | 82 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 899 | K | 44.9 | Very low | 41.4 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 78% | 0.778 | 81% | 0.811 | S | S | * | * | cis | -162.8 | 179.3 | 17.5 | -142.8 | 169.2 | -170.6 | 173.8 | 0 | 112.6 | ||||
| 900 | E | 42.9 | Very low | 40.2 | Very low | 177 Ų | 177 | 147.5 Ų | 147.5 | 83% | 0.827 | 82% | 0.821 | S | S | * | * | trans | 87 | -176.4 | 151.8 | -74.1 | -172.3 | -166.9 | 0 | 0 | 124.3 | ||||
| 901 | K | 45.1 | Very low | 39.2 | Very low | 196 Ų | 196 | 145.3 Ų | 145.3 | 85% | 0.852 | 82% | 0.82 | S | S | * | * | -165.7 | 169.4 | -126.4 | -148.8 | 171.3 | -172.6 | 169.3 | 0 | 116 | |||||
| 902 | K | 39.9 | Very low | 38.3 | Very low | 199 Ų | 199 | 145.9 Ų | 145.9 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | trans | 102.9 | -175.3 | 155.4 | -82.8 | -176.8 | 174.1 | 179.4 | 0 | 122.2 | ||||
| 903 | R | 39.9 | Very low | 37.6 | Very low | 253 Ų | 253 | 151.6 Ų | 151.6 | 96% | 0.955 | 84% | 0.84 | S | S | * | * | trans | -150.6 | 161.9 | -142.1 | -65.9 | 171.8 | 160.1 | -176.8 | -6.9 | 116.3 | ||||
| 904 | G | 38.8 | Very low | 36.9 | Very low | 85 Ų | 85 | 152.2 Ų | 152.2 | 88% | 0.876 | 85% | 0.846 | S | S | * | * | trans | 155.2 | 161.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 905 | G | 37.8 | Very low | 36.6 | Very low | 90 Ų | 90 | 147.5 Ų | 147.5 | 93% | 0.928 | 84% | 0.842 | S | S | * | * | cis | 121.4 | 127.7 | -19.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 906 | G | 37.9 | Very low | 36.4 | Very low | 88 Ų | 88 | 147.4 Ų | 147.4 | 91% | 0.907 | 83% | 0.833 | S | S | * | * | cis | 158.7 | 135.4 | -14.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 907 | G | 37.2 | Very low | 36.3 | Very low | 91 Ų | 91 | 140 Ų | 140 | 94% | 0.938 | 80% | 0.797 | S | S | * | * | trans | 105 | 164.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 908 | G | 38 | Very low | 35.7 | Very low | 81 Ų | 81 | 138 Ų | 138 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | cis | 165.8 | 179.6 | -6.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 909 | R | 38.9 | Very low | 35.2 | Very low | 232 Ų | 232 | 134.2 Ų | 134.2 | 88% | 0.875 | 75% | 0.748 | S | S | * | * | trans | 106.7 | 124 | 160.7 | -143.8 | -178.1 | -157.5 | -177.8 | 7.7 | 122.3 | ||||
| 910 | R | 32.5 | Very low | 34.3 | Very low | 223 Ų | 223 | 129.9 Ų | 129.9 | 84% | 0.842 | 73% | 0.729 | S | S | * | * | trans | 88.3 | 115.6 | 144.7 | -107.9 | -177.2 | -176.4 | 177.5 | 0.7 | 124.8 | ||||
| 911 | S | 31.5 | Very low | 34 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | 102.1 | 123.4 | 124.5 | -169.7 | 0 | 0 | 0 | 0 | 123 | |||||
| 912 | K | 31.9 | Very low | 33.3 | Very low | 200 Ų | 200 | 121.1 Ų | 121.1 | 87% | 0.87 | 70% | 0.7 | S | S | * | * | trans | 67.1 | 115.3 | 158.5 | -93.2 | -173.1 | 176.1 | -179.1 | 0 | 119.8 | G914 | K912-G914 PolarHBondContact O-N 2.83Š| ||
| 913 | K | 28.5 | Very low | 32.9 | Very low | 208 Ų | 208 | 117.6 Ų | 117.6 | 90% | 0.904 | 69% | 0.691 | S | S | * | * | trans | 33.4 | 77 | 154.5 | -80.2 | -161.7 | 169 | -164.6 | 0 | 115.5 | ||||
| 914 | G | 28.2 | Very low | 32.5 | Very low | 71 Ų | 71 | 111.6 Ų | 111.6 | 73% | 0.732 | 68% | 0.677 | S | S | * | * | trans | -67.9 | 132.5 | 138.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | K912 | K912-G914 PolarHBondContact O-N 2.83Š| ||
| 915 | G | 27.3 | Very low | 32.1 | Very low | 69 Ų | 69 | 112.9 Ų | 112.9 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | -75.1 | 177.1 | 113 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 916 | E | 30.3 | Very low | 31.8 | Very low | 134 Ų | 134 | 114.9 Ų | 114.9 | 63% | 0.626 | 66% | 0.658 | S | S | * | * | cis | -152.2 | 174.7 | 21.1 | -92.8 | -165.4 | 120.9 | 0 | 0 | 110.8 | L856 | L856-E916 HydrophobicContact CD1-CB 3.53Å; L856-E916 HydrophobicContact CD1-CG 3.82Å; L856-E916 WeakPolarHBondContact CD1-OE1 3.42Å; L856-E916 HydrophobicContact CD2-CB 3.5Å; L856-E916 VanDerWaalsContact CD2-CB 3.5Å; L856-E916 HydrophobicContact CD2-CG 4.26Å; L856-E916 HydrophobicContact CG-CB 3.98Å; L856-E916 HydrophobicContact CG-CG 4.41Å | ||
| 917 | F | 27.3 | Very low | 31.4 | Very low | 43 Ų | 43 | 117 Ų | 117 | 19% | 0.189 | 65% | 0.649 | C | S | . | * | trans | 66.4 | -160.1 | 171.6 | -100.8 | -164.2 | 0 | 0 | 0 | 111.2 | L852 Q854 K855 L856 L857 K858 E859 | L852-F917 WeakPolarHBondContact O-CE2 3.5Å; Q854-F917 VanDerWaalsContact C-CZ 3.49Å; Q854-F917 WeakPolarHBondContact O-CZ 3.43Å; K855-F917 VanDerWaalsContact C-CE2 3.46Å; K855-F917 VanDerWaalsContact CA-CZ 3.48Å; K855-F917 WeakPolarHBondContact O-CE1 3.38Å; K855-F917 WeakPolarHBondContact O-CZ 3.37Å; L856-F917 HydrophobicContact CB-CB 4.16Å; L856-F917 HydrophobicContact CB-CD1 3.42Å; L856-F917 VanDerWaalsContact CB-CD1 3.42Å; L856-F917 HydrophobicContact CB-CD2 2.7Å; L856-F917 HydrophobicContact CB-CE1 3.87Å; L856-F917 HydrophobicContact CB-CE2 3.26Å; L856-F917 HydrophobicContact CB-CG 2.85Å; L856-F917 HydrophobicContact CB-CZ 3.85Å; L856-F917 HydrophobicContact CD1-CB 3.8Å; L856-F917 HydrophobicContact CD1-CD2 3.23Å; L856-F917 HydrophobicContact CD1-CG 3.33Å; L856-F917 VanDerWaalsContact CD1-N 3.35Å; L856-F917 HydrophobicContact CD2-CB 3.7Å; L856-F917 HydrophobicContact CD2-CD1 3.61Å; L856-F917 HydrophobicContact CD2-CD2 4.14Å; L856-F917 HydrophobicContact CD2-CG 3.16Å; L856-F917 HydrophobicContact CG-CB 3.94Å; L856-F917 HydrophobicContact CG-CD1 3.96Å; L856-F917 HydrophobicContact CG-CD2 3.39Å; L856-F917 HydrophobicContact CG-CE2 4.48Å; L856-F917 HydrophobicContact CG-CG 3.1Å; L856-F917 VanDerWaalsContact N-CD2 3.34Å; L856-F917 WeakPolarHBondContact O-CB 3.39Å; L856-F917 WeakPolarHBondContact O-CD1 3.39Å; L856-F917 WeakPolarHBondContact O-CD2 3.5Å; L856-F917 WeakPolarHBondContact O-CE1 3.41Å; L856-F917 WeakPolarHBondContact O-CE2 3.23Å; L856-F917 WeakPolarHBondContact O-CG 3.26Å; L856-F917 WeakPolarHBondContact O-CZ 3.26Å; L857-F917 VanDerWaalsContact CA-CE2 3.41Å; L857-F917 HydrophobicContact CB-CD2 4.17Å; L857-F917 HydrophobicContact CB-CE2 3.49Å; L857-F917 VanDerWaalsContact CB-CE2 3.49Å; L857-F917 HydrophobicContact CB-CZ 4.16Å; L857-F917 HydrophobicContact CD2-CD2 4.4Å; L857-F917 HydrophobicContact CG-CD2 4.13Å; L857-F917 HydrophobicContact CG-CE2 3.94Å; K858-F917 HydrophobicContact CB-CZ 4.06Å; E859-F917 HydrophobicContact CB-CD1 3.66Å; E859-F917 HydrophobicContact CB-CE1 3.34Å; E859-F917 HydrophobicContact CG-CD1 4.01Å; E859-F917 HydrophobicContact CG-CE1 3.5Å | ||
| 918 | D | 28.5 | Very low | 31 | Very low | 43 Ų | 43 | 118.2 Ų | 118.2 | 23% | 0.23 | 63% | 0.634 | C | S | . | * | cis | -158.9 | 145.1 | 19.6 | -139.7 | 50.8 | 0 | 0 | 0 | 104.7 | L856 Q860 K863 | L856-D918 WeakPolarHBondContact O-CA 3.37Å; Q860-D918 VanDerWaalsContact CA-OD2 3.28Å; Q860-D918 WeakPolarHBondContact CA-OD2 3.45Å; Q860-D918 HydrophobicContact CB-CB 3.5Å; Q860-D918 VanDerWaalsContact CB-CB 3.5Å; Q860-D918 WeakPolarHBondContact CB-OD2 3.36Å; Q860-D918 HydrophobicContact CG-CB 3.87Å; Q860-D918 WeakPolarHBondContact CG-OD2 3.36Å; Q860-D918 PolarHBondContact N-OD1 3.43Å; Q860-D918 PolarHBondContact N-OD2 2.99Å; Q860-D918 PolarHBondContact NE2-O 2.87Å; K863-D918 WeakPolarHBondContact CD-OD2 3.48Å; K863-D918 IonicContact NZ-OD1 2.71Å; K863-D918 PolarHBondContact NZ-OD1 3.32Å; K863-D918 IonicContact NZ-OD2 3.82Å; K863-D918 PolarHBondContact NZ-OD2 2.89Å | ||
| 919 | E | 32.6 | Very low | 30.5 | Very low | 52 Ų | 52 | 120.7 Ų | 120.7 | 24% | 0.243 | 63% | 0.627 | C | S | . | * | trans | -130 | 158.6 | -162 | 161.5 | -169.5 | -100.8 | 0 | 0 | 117.5 | L857 Q860 E861 V921 | L857-E919 VanDerWaalsContact C-CB 3.48Å; L857-E919 VanDerWaalsContact CA-N 3.28Å; L857-E919 HydrophobicContact CB-CB 3.36Å; L857-E919 VanDerWaalsContact CB-CD 3.5Å; L857-E919 HydrophobicContact CB-CG 4.06Å; L857-E919 WeakPolarHBondContact CB-OE2 3.41Å; L857-E919 HydrophobicContact CD1-CB 4.2Å; L857-E919 WeakPolarHBondContact CD1-OE1 3.37Å; L857-E919 HydrophobicContact CD2-CB 3.87Å; L857-E919 HydrophobicContact CG-CB 3.92Å; L857-E919 WeakPolarHBondContact O-CB 3.32Å; L857-E919 PolarHBondContact O-N 3.23Å; Q860-E919 CarbonylContact C-O 3.58Å; Q860-E919 VanDerWaalsContact CB-O 3.29Å; Q860-E919 WeakPolarHBondContact CB-O 3.47Å; Q860-E919 VanDerWaalsContact OE1-C 3.26Å; Q860-E919 PolarHBondContact OE1-O 3.24Å; E861-E919 WeakPolarHBondContact CG-O 3.33Å; E861-E919 PolarHBondContact N-O 3.39Å; E919-V921 HydrophobicContact CG-CG2 4.26Å | ||
| 920 | F | 25.2 | Very low | 30.6 | Very low | 88 Ų | 88 | 112.4 Ų | 112.4 | 39% | 0.386 | 60% | 0.603 | S | S | . | * | trans | -133.6 | 132.3 | 133.6 | -147.3 | -75.1 | 0 | 0 | 0 | 111.3 | E861 R864 | E861-F920 HydrophobicContact CB-CD2 3.67Å; E861-F920 HydrophobicContact CB-CE2 3.52Å; E861-F920 HydrophobicContact CB-CZ 4.36Å; E861-F920 HydrophobicContact CG-CB 4.47Å; E861-F920 HydrophobicContact CG-CD2 3.45Å; E861-F920 VanDerWaalsContact CG-CD2 3.45Å; E861-F920 HydrophobicContact CG-CE2 3.67Å; E861-F920 HydrophobicContact CG-CG 3.94Å; E861-F920 HydrophobicContact CG-CZ 4.3Å; E861-F920 WeakPolarHBondContact OE1-CA 3.21Å; E861-F920 WeakPolarHBondContact OE1-CD1 3.44Å; E861-F920 WeakPolarHBondContact OE1-CD2 3.46Å; E861-F920 VanDerWaalsContact OE1-CE1 3.26Å; E861-F920 WeakPolarHBondContact OE1-CE1 3.48Å; E861-F920 WeakPolarHBondContact OE1-CG 3.37Å; E861-F920 WeakPolarHBondContact OE1-CZ 3.48Å; R864-F920 VanDerWaalsContact CZ-CB 3.46Å | ||
| 921 | V | 36.9 | Very low | 30.3 | Very low | 69 Ų | 69 | 108.1 Ų | 108.1 | 42% | 0.418 | 60% | 0.596 | S | S | . | * | trans | -44 | 152 | 170.3 | 155.7 | 0 | 0 | 0 | 0 | 112.9 | E861 E919 | E861-V921 WeakPolarHBondContact OE1-CB 3.38Å; E861-V921 WeakPolarHBondContact OE1-CG2 3.34Å; E861-V921 PolarHBondContact OE1-N 3.31Å; E919-V921 HydrophobicContact CG-CG2 4.26Å | ||
| 922 | N | 31.4 | Very low | 29.9 | Very low | 120 Ų | 120 | 106.6 Ų | 106.6 | 64% | 0.642 | 59% | 0.585 | S | S | * | * | cis | -143.6 | -168.5 | 12.2 | -131.4 | 5.2 | 0 | 0 | 0 | 109.7 | ||||
| 923 | D | 30 | Very low | 29.7 | Very low | 126 Ų | 126 | 105.6 Ų | 105.6 | 67% | 0.674 | 58% | 0.581 | S | S | * | * | cis | -138.8 | 150.3 | 15.7 | -99.7 | -36.1 | 0 | 0 | 0 | 110.9 | ||||
| 924 | D | 31.5 | Very low | 29.8 | Very low | 126 Ų | 126 | 104.5 Ų | 104.5 | 67% | 0.674 | 58% | 0.576 | S | S | * | * | trans | 32.9 | 138.2 | 136.2 | -65.3 | 3.6 | 0 | 0 | 0 | 121.4 | ||||
| 925 | T | 32 | Very low | 29.9 | Very low | 112 Ų | 112 | 105.8 Ų | 105.8 | 69% | 0.687 | 56% | 0.561 | S | S | * | * | cis | -156.7 | 156.6 | 3.3 | 6.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 926 | D | 31.3 | Very low | 30 | Very low | 132 Ų | 132 | 108.4 Ų | 108.4 | 71% | 0.706 | 55% | 0.553 | S | S | * | * | trans | 52.7 | 91 | 151.8 | -58.5 | 6.8 | 0 | 0 | 0 | 121.6 | ||||
| 927 | D | 29.6 | Very low | 29.9 | Very low | 134 Ų | 134 | 105.3 Ų | 105.3 | 72% | 0.717 | 54% | 0.536 | S | S | * | . | 76.6 | 147 | 111 | -61.7 | 0.9 | 0 | 0 | 0 | 125.5 | |||||
| 928 | D | 28.8 | Very low | 30.1 | Very low | 116 Ų | 116 | 110.9 Ų | 110.9 | 62% | 0.62 | 56% | 0.556 | S | S | * | * | trans | 59.3 | 77.7 | 153.5 | -74.8 | -4.3 | 0 | 0 | 0 | 122 | ||||
| 929 | L | 26.4 | Very low | 30.4 | Very low | 132 Ų | 132 | 115.9 Ų | 115.9 | 69% | 0.691 | 58% | 0.575 | S | S | * | * | -0.3 | 166.7 | 100.6 | -61.8 | 177.7 | 0 | 0 | 0 | 118.6 | |||||
| 930 | P | 40.1 | Very low | 30.3 | Very low | 59 Ų | 59 | 115.9 Ų | 115.9 | 38% | 0.383 | 59% | 0.589 | S | S | . | * | cis | -139.2 | -169.9 | -42.2 | 39 | -21.1 | 0 | 0 | 0 | 113.4 | E846 | E846-P930 WeakPolarHBondContact OE1-CD 3.13Å; E846-P930 WeakPolarHBondContact OE1-CG 3.34Å | ||
| 931 | I | 26.2 | Very low | 30.7 | Very low | 132 Ų | 132 | 116.3 Ų | 116.3 | 68% | 0.677 | 60% | 0.603 | S | S | * | * | trans | 44.2 | 124.5 | 141.2 | -71 | 161.7 | 0 | 0 | 0 | 119.2 | ||||
| 932 | S | 25.1 | Very low | 30.2 | Very low | 73 Ų | 73 | 116.6 Ų | 116.6 | 51% | 0.51 | 62% | 0.62 | S | S | . | * | cis | 179.2 | -174.3 | 2 | 59.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 933 | K | 27.5 | Very low | 30.4 | Very low | 179 Ų | 179 | 115.2 Ų | 115.2 | 78% | 0.778 | 62% | 0.62 | S | S | * | * | trans | 67.7 | 108 | 150.7 | -68.4 | 162.5 | -167.3 | 164.6 | 0 | 120.5 | ||||
| 934 | K | 29.7 | Very low | 30.4 | Very low | 184 Ų | 184 | 117.1 Ų | 117.1 | 80% | 0.8 | 63% | 0.625 | S | S | * | * | 43.5 | 116 | 123.3 | -60.5 | 179.2 | 175.2 | 177.1 | 0 | 120 | |||||
| 935 | K | 29.7 | Very low | 30.3 | Very low | 98 Ų | 98 | 118.3 Ų | 118.3 | 43% | 0.426 | 63% | 0.626 | S | S | . | * | 158.9 | 116.6 | 110 | -88 | 174.6 | -175.4 | 178.9 | 0 | 114.3 | K777 E778 N781 | K777-K935 WeakPolarHBondContact CE-O 3.47Å; K777-K935 VanDerWaalsContact CG-O 3.28Å; K777-K935 WeakPolarHBondContact CG-O 3.25Å; E778-K935 HydrophobicContact CG-CD 4.07Å; E778-K935 WeakPolarHBondContact OE1-CD 3.39Å; E778-K935 WeakPolarHBondContact OE1-CE 3.4Å; E778-K935 IonicContact OE1-NZ 2.59Å; E778-K935 PolarHBondContact OE1-NZ 3.36Å; E778-K935 IonicContact OE2-NZ 3.98Å; E778-K935 PolarHBondContact OE2-NZ 2.93Å; N781-K935 PolarHBondContact ND2-O 2.84Å | |||
| 936 | K | 29.8 | Very low | 30.2 | Very low | 125 Ų | 125 | 121 Ų | 121 | 54% | 0.543 | 63% | 0.631 | S | S | . | * | trans | 59.7 | 152.8 | 141 | -69.6 | 177.6 | 176.4 | 174.4 | 0 | 122.1 | K777 N781 | K777-K936 WeakPolarHBondContact CE-O 3.49Å; K777-K936 PolarHBondContact NZ-O 3.15Å; N781-K936 PolarHBondContact ND2-O 3.21Å; N781-K936 PolarHBondContact OD1-O 3.42Å | ||
| 937 | R | 29 | Very low | 30 | Very low | 68 Ų | 68 | 118 Ų | 118 | 26% | 0.257 | 63% | 0.632 | S | S | . | * | trans | 61 | 155.9 | 142.7 | -81.4 | 179.7 | 153 | 137 | -12.9 | 120.9 | K777 N781 E785 | K777-R937 PolarHBondContact NZ-O 2.97Å; N781-R937 VanDerWaalsContact OD1-CB 3.22Å; N781-R937 WeakPolarHBondContact OD1-CB 3.45Å; E785-R937 VanDerWaalsContact CG-CZ 3.42Å; E785-R937 VanDerWaalsContact CG-NH2 3.3Å; E785-R937 IonicContact OE1-CZ 3.12Å; E785-R937 VanDerWaalsContact OE1-CZ 3.23Å; E785-R937 IonicContact OE1-NE 2.83Å; E785-R937 IonicContact OE1-NH1 2.73Å; E785-R937 PolarHBondContact OE1-NH1 3.2Å; E785-R937 IonicContact OE1-NH2 2.89Å; E785-R937 IonicContact OE2-CZ 3.01Å; E785-R937 IonicContact OE2-NH1 3.22Å; E785-R937 PolarHBondContact OE2-NH1 3.04Å; E785-R937 IonicContact OE2-NH2 2.7Å; E785-R937 PolarHBondContact OE2-NH2 2.72Å | ||
| 938 | R | 31.7 | Very low | 30 | Very low | 160 Ų | 160 | 120.6 Ų | 120.6 | 60% | 0.604 | 64% | 0.639 | S | S | * | * | cis | -170.3 | -174.2 | -30.6 | -126.5 | -174 | -178.9 | -177.7 | 1.3 | 107.9 | K784 | K784-R938 PolarHBondContact NZ-O 2.69Š| ||
| 939 | K | 34.5 | Very low | 30.1 | Very low | 149 Ų | 149 | 123.3 Ų | 123.3 | 65% | 0.648 | 65% | 0.654 | S | S | * | * | trans | -19.4 | 166.1 | 168.5 | -58.1 | -170.3 | 171.3 | -161.7 | 0 | 119.6 | ||||
| 940 | G | 30.9 | Very low | 30.3 | Very low | 52 Ų | 52 | 125 Ų | 125 | 54% | 0.536 | 66% | 0.659 | S | S | . | * | cis | 131.3 | 119.2 | -15.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | R791 | R791-G940 PolarHBondContact NH1-O 2.8Š| ||
| 941 | S | 31.7 | Very low | 29.8 | Very low | 96 Ų | 96 | 127.7 Ų | 127.7 | 67% | 0.671 | 67% | 0.666 | S | S | * | * | trans | 179.8 | 156.7 | 163.2 | 29.4 | 0 | 0 | 0 | 0 | 106.9 | R791 | R791-S941 PolarHBondContact NH1-OG 3.14Å; R791-S941 PolarHBondContact NH2-OG 3.18Å; R791-S941 VanDerWaalsContact NH2-OG 3.09Å | ||
| 942 | G | 28.3 | Very low | 29.9 | Very low | 76 Ų | 76 | 124.1 Ų | 124.1 | 78% | 0.784 | 66% | 0.662 | S | S | * | * | cis | 109.6 | 136.9 | 33.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 943 | S | 33.8 | Very low | 30.1 | Very low | 90 Ų | 90 | 124.3 Ų | 124.3 | 63% | 0.629 | 68% | 0.675 | S | S | * | * | cis | -163.5 | 178 | 15.9 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 944 | E | 31.3 | Very low | 30.2 | Very low | 166 Ų | 166 | 122.6 Ų | 122.6 | 78% | 0.776 | 67% | 0.67 | S | S | * | * | trans | 56.7 | 163.5 | 168.4 | -72 | 86.6 | -124.3 | 0 | 0 | 118.6 | ||||
| 945 | Q | 29.9 | Very low | 30.1 | Very low | 151 Ų | 151 | 122.5 Ų | 122.5 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | cis | -146.5 | 175.8 | 11.2 | -155.2 | 161.2 | -10.4 | 0 | 0 | 113.1 | ||||
| 946 | E | 28.9 | Very low | 30.1 | Very low | 168 Ų | 168 | 127.4 Ų | 127.4 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | trans | -25.7 | 147.6 | 175.7 | -63.5 | 122.9 | -126.9 | 0 | 0 | 118.3 | ||||
| 947 | G | 27.3 | Very low | 30.2 | Very low | 70 Ų | 70 | 131 Ų | 131 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | cis | -131.4 | -131.1 | -0.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 948 | E | 29.3 | Very low | 30 | Very low | 188 Ų | 188 | 137.6 Ų | 137.6 | 88% | 0.879 | 73% | 0.732 | S | S | * | * | cis | -148.6 | 176.9 | -1.7 | -67.6 | 179.8 | 98.7 | 0 | 0 | 107.9 | ||||
| 949 | D | 30.1 | Very low | 29.8 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 93% | 0.93 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -79.6 | 129.4 | -168.7 | -57.8 | -55.8 | 0 | 0 | 0 | 113.2 | ||
| 950 | E | 31.4 | Very low | 29.2 | Very low | 168 Ų | 168 | 143 Ų | 143 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | cis | -131.5 | -149.1 | 15.9 | -159.9 | -123 | -83.6 | 0 | 0 | 115.5 | ||||
| 951 | E | 30.7 | Very low | 28.9 | Very low | 115 Ų | 115 | 149 Ų | 149 | 54% | 0.537 | 76% | 0.76 | S | S | . | * | trans | -94.2 | -79.3 | -172.1 | -150.3 | -94.3 | -178.2 | 0 | 0 | 116.6 | R955 | E951-R955 IonicContact OE1-CZ 2.74Å; E951-R955 IonicContact OE1-NE 2.64Å; E951-R955 PolarHBondContact OE1-NE 3.33Å; E951-R955 IonicContact OE1-NH2 2.67Å; E951-R955 PolarHBondContact OE1-NH2 3.33Å | ||
| 952 | G | 27.3 | Very low | 28.7 | Very low | 57 Ų | 57 | 154 Ų | 154 | 59% | 0.588 | 76% | 0.764 | S | S | * | * | cis | -159.9 | 166.6 | -14.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 953 | G | 29.3 | Very low | 28.6 | Very low | 77 Ų | 77 | 156.4 Ų | 156.4 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | S | Bend | cis | -174.1 | 87.1 | -3.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 954 | E | 29.6 | Very low | 29.5 | Very low | 142 Ų | 142 | 158 Ų | 158 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | cis | -133.7 | 140.5 | 2.4 | -99.1 | -152.1 | 107.2 | 0 | 0 | 114.1 | ||||
| 955 | R | 28.5 | Very low | 29.5 | Very low | 183 Ų | 183 | 157.3 Ų | 157.3 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | trans | 53.3 | 145.5 | 139 | -58.7 | -164.5 | 171.9 | 136.6 | -9.6 | 123.3 | E951 | E951-R955 IonicContact OE1-CZ 2.74Å; E951-R955 IonicContact OE1-NE 2.64Å; E951-R955 PolarHBondContact OE1-NE 3.33Å; E951-R955 IonicContact OE1-NH2 2.67Å; E951-R955 PolarHBondContact OE1-NH2 3.33Å | ||
| 956 | K | 29.7 | Very low | 29.4 | Very low | 201 Ų | 201 | 152 Ų | 152 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -111.6 | 133.4 | -163.1 | -68.7 | 166.7 | -179.5 | 162.1 | 0 | 114.5 | ||||
| 957 | K | 31.3 | Very low | 29.5 | Very low | 201 Ų | 201 | 150.4 Ų | 150.4 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | trans | 29 | 132.8 | 134.5 | -58 | 178.5 | 179.5 | 178.8 | 0 | 119.6 | ||||
| 958 | K | 25.4 | Very low | 29.5 | Very low | 205 Ų | 205 | 155.2 Ų | 155.2 | 89% | 0.891 | 74% | 0.743 | S | S | * | * | trans | -155.2 | 131.8 | 130.8 | -116.2 | 160.1 | -171.8 | 167.8 | 0 | 115.9 | ||||
| 959 | K | 25.8 | Very low | 29.4 | Very low | 202 Ų | 202 | 149.4 Ų | 149.4 | 88% | 0.878 | 73% | 0.734 | S | S | * | * | trans | 55.1 | 83.1 | 157.9 | -68.3 | -166.2 | 172.1 | -169.6 | 0 | 121.1 | ||||
| 960 | R | 22.6 | Very low | 29.3 | Very low | 221 Ų | 221 | 146.5 Ų | 146.5 | 83% | 0.834 | 73% | 0.728 | S | S | * | * | trans | -144.6 | 159.1 | 134.5 | -94.6 | -178.5 | 171.4 | -180 | -2.2 | 105.5 | ||||
| 961 | R | 24.7 | Very low | 29.1 | Very low | 179 Ų | 179 | 146 Ų | 146 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | cis | -151.3 | 153.5 | 5 | -113.4 | 168 | 171.9 | 178.2 | -5.2 | 105.7 | ||||
| 962 | R | 26.6 | Very low | 29.2 | Very low | 199 Ų | 199 | 148 Ų | 148 | 75% | 0.751 | 75% | 0.745 | S | S | * | * | 72.8 | 156.9 | 73.7 | -155 | -154.4 | -147 | -165.5 | 5.7 | 113.9 | |||||
| 963 | L | 26.3 | Very low | 29.3 | Very low | 128 Ų | 128 | 152.6 Ų | 152.6 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | trans | 84.8 | 158.7 | 168.9 | -53.8 | 169 | 0 | 0 | 0 | 114.9 | ||||
| 964 | P | 52.9 | Low | 29.3 | Very low | 124 Ų | 124 | 157.6 Ų | 157.6 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | cis | -84.8 | -167.8 | 0.5 | 40.3 | -40 | 0 | 0 | 0 | 113.2 | ||||
| 965 | K | 31 | Very low | 29.4 | Very low | 150 Ų | 150 | 157.9 Ų | 157.9 | 65% | 0.652 | 77% | 0.77 | S | S | * | * | cis | -121.4 | -128.3 | -11.1 | -145.5 | 175.7 | -173 | -84.3 | 0 | 109.8 | E967 | K965-E967 WeakPolarHBondContact CD-OE1 3.45Å; K965-E967 WeakPolarHBondContact CG-OE1 3.38Å; K965-E967 IonicContact NZ-OE1 3.5Å; K965-E967 PolarHBondContact NZ-OE1 3.15Å; K965-E967 IonicContact NZ-OE2 2.64Å; K965-E967 PolarHBondContact NZ-OE2 3.19Å | ||
| 966 | G | 27.8 | Very low | 29.5 | Very low | 40 Ų | 40 | 157.3 Ų | 157.3 | 41% | 0.412 | 78% | 0.775 | S | S | . | * | cis | 83.4 | 150.7 | 5.6 | 0 | 0 | 0 | 0 | 0 | 115 | E968 | G966-E968 VanDerWaalsContact CA-OE1 3.23Å; G966-E968 WeakPolarHBondContact CA-OE1 3.3Å; G966-E968 PolarHBondContact N-OE1 3.41Å | ||
| 967 | E | 31 | Very low | 29.4 | Very low | 134 Ų | 134 | 154.2 Ų | 154.2 | 63% | 0.626 | 77% | 0.768 | S | S | * | * | cis | -157 | 143.2 | -11.3 | -101.6 | 119.2 | -128.7 | 0 | 0 | 108.1 | K965 | K965-E967 WeakPolarHBondContact CD-OE1 3.45Å; K965-E967 WeakPolarHBondContact CG-OE1 3.38Å; K965-E967 IonicContact NZ-OE1 3.5Å; K965-E967 PolarHBondContact NZ-OE1 3.15Å; K965-E967 IonicContact NZ-OE2 2.64Å; K965-E967 PolarHBondContact NZ-OE2 3.19Å | ||
| 968 | E | 28 | Very low | 29.2 | Very low | 171 Ų | 171 | 148 Ų | 148 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | cis | 101.4 | 124.4 | 14.3 | -62.5 | 154.6 | -119.9 | 0 | 0 | 113.5 | G966 | G966-E968 VanDerWaalsContact CA-OE1 3.23Å; G966-E968 WeakPolarHBondContact CA-OE1 3.3Å; G966-E968 PolarHBondContact N-OE1 3.41Å | ||
| 969 | G | 27.1 | Very low | 30.1 | Very low | 67 Ų | 67 | 143.2 Ų | 143.2 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | cis | -170.1 | -150.2 | 0.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 970 | S | 27.8 | Very low | 30.3 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | trans | 65.4 | 132.1 | -178 | 52 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 971 | D | 27.1 | Very low | 30.7 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | cis | -136 | 169.1 | -0.5 | -83.2 | -35.4 | 0 | 0 | 0 | 111.7 | ||||
| 972 | D | 32.8 | Very low | 31 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 85% | 0.85 | 74% | 0.743 | S | S | * | * | trans | -73.6 | 140.4 | 179.6 | -61.5 | -65.3 | 0 | 0 | 0 | 113.5 | ||||
| 973 | D | 29.6 | Very low | 31 | Very low | 153 Ų | 153 | 139 Ų | 139 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | -173.1 | 166 | 95.6 | -135.9 | -30.9 | 0 | 0 | 0 | 113.7 | |||||
| 974 | E | 29.2 | Very low | 31 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | 42.1 | 118.3 | 170.2 | -58.9 | -154 | 139.7 | 0 | 0 | 121.4 | ||||
| 975 | T | 32.8 | Very low | 29.9 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 91% | 0.908 | 76% | 0.763 | S | S | * | * | trans | -96.2 | 141.2 | -177.4 | 56.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 976 | E | 30.2 | Very low | 30.6 | Very low | 171 Ų | 171 | 147 Ų | 147 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -82.9 | 153.3 | -179.7 | -92.2 | -147.8 | 135.6 | 0 | 0 | 117.7 | ||||
| 977 | N | 27.6 | Very low | 31.5 | Very low | 137 Ų | 137 | 150.6 Ų | 150.6 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | 63.8 | 146.6 | 143.4 | -77 | -49.3 | 0 | 0 | 0 | 122.8 | ||||
| 978 | G | 26.7 | Very low | 31.3 | Very low | 69 Ų | 69 | 155.7 Ų | 155.7 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -109.1 | -124.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 979 | P | 44.4 | Very low | 31.6 | Very low | 106 Ų | 106 | 151.8 Ų | 151.8 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | cis | -146.4 | 160.8 | 3.7 | 43 | -24.4 | 0 | 0 | 0 | 118.2 | ||||
| 980 | K | 31 | Very low | 31.8 | Very low | 178 Ų | 178 | 155.6 Ų | 155.6 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | trans | 66 | 157.4 | 141.5 | -72.9 | 164.7 | -170.2 | 164.8 | 0 | 119.2 | ||||
| 981 | Q | 30.4 | Very low | 32.1 | Very low | 141 Ų | 141 | 157.5 Ų | 157.5 | 66% | 0.659 | 79% | 0.787 | S | S | * | * | cis | -166.6 | 177.3 | -28.1 | -113.9 | 175.9 | 13.8 | 0 | 0 | 106.5 | ||||
| 982 | K | 30.4 | Very low | 32.3 | Very low | 179 Ų | 179 | 158.3 Ų | 158.3 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | cis | -158 | 159.4 | 20.9 | -140.5 | 149.7 | -177.2 | 153.3 | 0 | 111.1 | ||||
| 983 | K | 27.6 | Very low | 32.2 | Very low | 214 Ų | 214 | 160.5 Ų | 160.5 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -97.8 | 178.7 | 175 | -76.9 | -178.3 | 177.2 | 175.8 | 0 | 112.7 | ||||
| 984 | R | 26.3 | Very low | 32.5 | Very low | 227 Ų | 227 | 157.7 Ų | 157.7 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | -89.2 | 168.2 | -167.6 | -66.9 | 168 | 139.5 | -178.4 | -5.7 | 115.8 | ||||
| 985 | R | 28.3 | Very low | 33 | Very low | 228 Ų | 228 | 155.4 Ų | 155.4 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | 76.5 | 162.8 | 152.4 | -83.4 | 177.7 | 175.4 | -174.2 | -2.7 | 118.1 | ||||
| 986 | P | 45.5 | Very low | 32.9 | Very low | 116 Ų | 116 | 157.7 Ų | 157.7 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | cis | -118.4 | -121.6 | -2.5 | 24.8 | 0.6 | 0 | 0 | 0 | 116.1 | ||||
| 987 | P | 47.6 | Very low | 33.6 | Very low | 115 Ų | 115 | 154.9 Ų | 154.9 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | -132.4 | 170.5 | -110.3 | 43.3 | -26.4 | 0 | 0 | 0 | 120.3 | |||||
| 988 | R | 28 | Very low | 33.8 | Very low | 241 Ų | 241 | 155.4 Ų | 155.4 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | 35.9 | 112 | 152.2 | -85.6 | -174.3 | 169.3 | 173.7 | -3.5 | 123.7 | ||||
| 989 | A | 33.2 | Very low | 33.8 | Very low | 88 Ų | 88 | 162.7 Ų | 162.7 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | 79.7 | 156.3 | 113.9 | 0 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 990 | E | 30.9 | Very low | 33.3 | Very low | 148 Ų | 148 | 165.4 Ų | 165.4 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | 72.5 | 143 | 171.9 | -58.9 | -75.4 | 106.7 | 0 | 0 | 118.3 | ||||
| 991 | K | 35 | Very low | 33.8 | Very low | 152 Ų | 152 | 162.6 Ų | 162.6 | 66% | 0.661 | 79% | 0.79 | S | S | * | * | cis | -169.6 | 164.9 | -29.3 | -131.6 | -170.1 | -150.4 | 123.9 | 0 | 112.6 | ||||
| 992 | K | 31.6 | Very low | 34.4 | Very low | 174 Ų | 174 | 161 Ų | 161 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | trans | 87 | 120.4 | 150.2 | -73.8 | 168.5 | -179.8 | 171.4 | 0 | 124.7 | ||||
| 993 | K | 30.2 | Very low | 34.5 | Very low | 205 Ų | 205 | 157.5 Ų | 157.5 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | trans | 90.9 | 156.5 | 134.2 | -73.4 | -171 | 172.4 | -169.4 | 0 | 122.5 | ||||
| 994 | A | 34.9 | Very low | 34.8 | Very low | 93 Ų | 93 | 156 Ų | 156 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -141 | -179.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 995 | P | 40 | Very low | 35 | Very low | 133 Ų | 133 | 155.4 Ų | 155.4 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | -151.6 | -157.7 | 95.5 | 40.5 | -19.7 | 0 | 0 | 0 | 117.1 | |||||
| 996 | K | 31.6 | Very low | 35.1 | Very low | 197 Ų | 197 | 148 Ų | 148 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -85.6 | -170.2 | -171.4 | -51.5 | -179 | 177.4 | 178.6 | 0 | 114 | ||||
| 997 | P | 44.3 | Very low | 34.6 | Very low | 112 Ų | 112 | 152.1 Ų | 152.1 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -147 | 179.7 | 4.1 | 44.8 | -23.8 | 0 | 0 | 0 | 121.2 | ||||
| 998 | E | 31.9 | Very low | 33.7 | Very low | 148 Ų | 148 | 154.1 Ų | 154.1 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | 76.6 | 135.6 | 144.9 | -92.3 | -160.6 | 125.4 | 0 | 0 | 128.2 | ||||
| 999 | R | 27.6 | Very low | 33.8 | Very low | 221 Ų | 221 | 152.2 Ų | 152.2 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | 84.8 | 163.6 | 148.9 | -69.5 | -178.2 | -166.2 | -139.7 | -3.7 | 123.9 | ||||
| 1000 | L | 32.5 | Very low | 33.8 | Very low | 163 Ų | 163 | 153.4 Ų | 153.4 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -124 | 169.1 | -155.9 | -82.2 | 168.8 | 0 | 0 | 0 | 111.5 | ||||
| 1001 | P | 41.4 | Very low | 33.9 | Very low | 119 Ų | 119 | 156.2 Ų | 156.2 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | -153.4 | -141.3 | 62.1 | 37.8 | -8.7 | 0 | 0 | 0 | 117 | |||||
| 1002 | P | 44.5 | Very low | 33.6 | Very low | 107 Ų | 107 | 152.5 Ų | 152.5 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | -139.5 | 175.1 | -92.9 | 45.7 | -28.1 | 0 | 0 | 0 | 120.3 | |||||
| 1003 | S | 31.3 | Very low | 33.4 | Very low | 106 Ų | 106 | 151.6 Ų | 151.6 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | 73.5 | 152.1 | 153.8 | 79.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1004 | M | 34.3 | Very low | 33.1 | Very low | 184 Ų | 184 | 149.3 Ų | 149.3 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | cis | -145.3 | -173.7 | 42.9 | -90.9 | -160.1 | 169.1 | 0 | 0 | 116 | ||||
| 1005 | K | 30.8 | Very low | 32.7 | Very low | 213 Ų | 213 | 149.4 Ų | 149.4 | 93% | 0.926 | 80% | 0.798 | S | S | * | * | trans | -132 | 158.7 | -176.1 | -65.4 | 174.4 | 178.3 | 170.4 | 0 | 113.5 | ||||
| 1006 | G | 30.8 | Very low | 32 | Very low | 74 Ų | 74 | 147.7 Ų | 147.7 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | trans | 159.2 | 116.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1007 | K | 33.4 | Very low | 31.9 | Very low | 201 Ų | 201 | 142.5 Ų | 142.5 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | cis | 97.5 | 147.2 | 12.2 | -141.9 | -175.2 | -170.2 | -170.5 | 0 | 115.1 | ||||
| 1008 | I | 29.8 | Very low | 31.2 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | 89.3 | 126.3 | -176.6 | -54.6 | 163.6 | 0 | 0 | 0 | 112.8 | ||||
| 1009 | K | 29.5 | Very low | 30.9 | Very low | 201 Ų | 201 | 143.7 Ų | 143.7 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | cis | 99.4 | 102.8 | 16.8 | -80.4 | -159.6 | 170.5 | -169.8 | 0 | 117.9 | ||||
| 1010 | S | 33.8 | Very low | 31 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -168.6 | 131.5 | 145.2 | 42.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1011 | K | 33.5 | Very low | 31 | Very low | 206 Ų | 206 | 135 Ų | 135 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | 60.2 | 137.7 | 74.7 | -78.6 | -167.5 | 173.8 | -170.7 | 0 | 113 | |||||
| 1012 | A | 27.7 | Very low | 30.5 | Very low | 74 Ų | 74 | 136.5 Ų | 136.5 | 61% | 0.612 | 77% | 0.771 | S | S | * | * | cis | -167.4 | 158.4 | -1.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1013 | I | 26.8 | Very low | 30 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 80% | 0.795 | 77% | 0.771 | S | S | * | * | trans | 20.4 | 133.7 | 137.7 | -28.4 | 154.6 | 0 | 0 | 0 | 117.1 | ||||
| 1014 | I | 25.6 | Very low | 30 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | cis | -122.4 | -135.3 | 28.5 | -20.1 | 179.5 | 0 | 0 | 0 | 113 | ||||
| 1015 | S | 25.9 | Very low | 29.9 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | cis | -157.1 | 170.1 | 7.6 | -145.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1016 | S | 25.6 | Very low | 29.9 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | trans | -38.4 | 159.1 | 156.2 | 51.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1017 | S | 28.8 | Very low | 29.9 | Very low | 88 Ų | 88 | 138.6 Ų | 138.6 | 62% | 0.615 | 74% | 0.743 | S | S | * | * | cis | -167.8 | -176.8 | -4.5 | 42.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1018 | D | 28.7 | Very low | 29.6 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | trans | 70.3 | 96 | 158.8 | -42.8 | -48.1 | 0 | 0 | 0 | 116.1 | ||||
| 1019 | D | 26.7 | Very low | 29.6 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | 71.8 | 116.2 | 58.8 | -167.3 | 51.9 | 0 | 0 | 0 | 114.4 | |||||
| 1020 | S | 29.2 | Very low | 29.5 | Very low | 93 Ų | 93 | 130.5 Ų | 130.5 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | 172.6 | 136.2 | 108.3 | -157.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1021 | S | 32.7 | Very low | 29.3 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | trans | 68.2 | 155.1 | 154.7 | 73.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1022 | D | 31.8 | Very low | 29 | Very low | 152 Ų | 152 | 127.3 Ų | 127.3 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | cis | -165 | -178.7 | -49.9 | -133 | -46.2 | 0 | 0 | 0 | 111 | ||||
| 1023 | E | 32.7 | Very low | 29 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | trans | 76.3 | 137 | 174.1 | -54 | -138.6 | 137.6 | 0 | 0 | 115.3 | K1025 | E1023-K1025 VanDerWaalsContact CD-NZ 3.27Å; E1023-K1025 IonicContact OE1-NZ 2.73Å; E1023-K1025 PolarHBondContact OE1-NZ 2.87Å; E1023-K1025 IonicContact OE2-NZ 2.69Å | ||
| 1024 | D | 32.2 | Very low | 29.8 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 59% | 0.594 | 73% | 0.733 | S | S | * | * | cis | -167 | 163.5 | 10.6 | -116.1 | 23.7 | 0 | 0 | 0 | 113.5 | ||||
| 1025 | K | 32 | Very low | 29.8 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 60% | 0.596 | 73% | 0.731 | S | S | * | * | cis | -157.2 | 35.5 | -24 | -128.7 | 179.1 | -144.5 | 106.9 | 0 | 115 | E1023 | E1023-K1025 VanDerWaalsContact CD-NZ 3.27Å; E1023-K1025 IonicContact OE1-NZ 2.73Å; E1023-K1025 PolarHBondContact OE1-NZ 2.87Å; E1023-K1025 IonicContact OE2-NZ 2.69Å | ||
| 1026 | L | 30.8 | Very low | 29.8 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | trans | 78.3 | -179.6 | 161.7 | -53.1 | 156.3 | 0 | 0 | 0 | 116.8 | ||||
| 1027 | K | 30.7 | Very low | 29.9 | Very low | 176 Ų | 176 | 134.7 Ų | 134.7 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | cis | -166.8 | 173.9 | 23.9 | -148.2 | 152.9 | -168.7 | 171.3 | 0 | 115.1 | ||||
| 1028 | I | 27.3 | Very low | 29.8 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | trans | 81.2 | 113.1 | 170.1 | -54.4 | 166.9 | 0 | 0 | 0 | 113.9 | ||||
| 1029 | A | 29.7 | Very low | 29.6 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | cis | 84.1 | 139 | 17.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1030 | D | 27.8 | Very low | 29.5 | Very low | 150 Ų | 150 | 136 Ų | 136 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | cis | -160.3 | -166.9 | -9.6 | -143.1 | -21.8 | 0 | 0 | 0 | 112.3 | ||||
| 1031 | E | 29 | Very low | 29.4 | Very low | 184 Ų | 184 | 136.3 Ų | 136.3 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | trans | -28 | 160.7 | 169.2 | -65.8 | -175.2 | 160.9 | 0 | 0 | 119.6 | ||||
| 1032 | G | 26.7 | Very low | 29.1 | Very low | 69 Ų | 69 | 139.5 Ų | 139.5 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | cis | 159.7 | -167.1 | 0.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1033 | H | 29.3 | Very low | 28.9 | Very low | 169 Ų | 169 | 136 Ų | 136 | 78% | 0.782 | 74% | 0.743 | S | S | * | * | trans | 71.9 | 158.1 | 170.8 | -88.9 | -5.8 | 0 | 0 | 0 | 120.7 | ||||
| 1034 | P | 42.9 | Very low | 28.6 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | cis | -128.9 | 176.8 | -6.9 | 37.8 | -20 | 0 | 0 | 0 | 117.3 | ||||
| 1035 | R | 25.7 | Very low | 28.3 | Very low | 203 Ų | 203 | 132.8 Ų | 132.8 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | trans | -41.4 | 166.9 | 173 | -58 | 170.1 | 176.9 | 148.6 | -0.3 | 116.1 | ||||
| 1036 | N | 26 | Very low | 28.2 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | cis | -167.1 | 167.3 | 36.6 | -152.7 | 14.6 | 0 | 0 | 0 | 115.2 | ||||
| 1037 | S | 27.9 | Very low | 28 | Very low | 104 Ų | 104 | 124.2 Ų | 124.2 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | trans | 60.9 | 146.8 | 160.2 | 53.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1038 | N | 25.3 | Very low | 28.1 | Very low | 153 Ų | 153 | 123.5 Ų | 123.5 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | cis | -161.1 | 167.6 | -27.9 | -158.2 | 12.3 | 0 | 0 | 0 | 110.8 | ||||
| 1039 | S | 26.2 | Very low | 28.4 | Very low | 92 Ų | 92 | 122.5 Ų | 122.5 | 64% | 0.643 | 67% | 0.673 | S | S | * | * | trans | 52.9 | 114.4 | 159.3 | 56 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1040 | N | 24.9 | Very low | 28.1 | Very low | 155 Ų | 155 | 126.5 Ų | 126.5 | 83% | 0.829 | 67% | 0.674 | S | S | * | * | 4.7 | 148.6 | 121.7 | -57.4 | 5.4 | 0 | 0 | 0 | 118.8 | |||||
| 1041 | S | 26.2 | Very low | 27.9 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 70% | 0.699 | 67% | 0.669 | S | S | * | * | cis | -174.5 | 118.4 | -13.6 | 48.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1042 | D | 26.5 | Very low | 27.7 | Very low | 174 Ų | 174 | 123.5 Ų | 123.5 | 93% | 0.93 | 65% | 0.652 | S | S | * | * | trans | -153.7 | 167.8 | 159.8 | -100.3 | -42.8 | 0 | 0 | 0 | 109.1 | ||||
| 1043 | S | 28.1 | Very low | 27.6 | Very low | 79 Ų | 79 | 122 Ų | 122 | 55% | 0.552 | 63% | 0.633 | S | S | * | * | trans | -146.4 | 115.3 | -165.8 | 63.7 | 0 | 0 | 0 | 0 | 112.6 | H1052 A1053 | S1043-H1052 CarbonylContact C-O 3.58Å; S1043-H1052 WeakPolarHBondContact CB-O 3.44Å; S1043-H1052 CarbonylContact O-C 3.57Å; S1043-H1052 PolarHBondContact OG-O 3.44Å; S1043-A1053 PolarHBondContact O-N 3.49Å | ||
| 1044 | D | 26.1 | Very low | 27.6 | Very low | 87 Ų | 87 | 118.4 Ų | 118.4 | 47% | 0.465 | 63% | 0.627 | S | S | . | * | trans | -132.8 | 173.4 | 170.1 | -137.9 | -40.4 | 0 | 0 | 0 | 112 | A1053 S1054 | D1044-A1053 VanDerWaalsContact OD1-CA 3.28Å; D1044-A1053 WeakPolarHBondContact OD1-CA 3.3Å; D1044-S1054 PolarHBondContact OD1-N 3.42Å; D1044-S1054 PolarHBondContact OD2-N 2.98Å; D1044-S1054 VanDerWaalsContact OD2-N 3.16Å | ||
| 1045 | E | 26.1 | Very low | 26.8 | Very low | 105 Ų | 105 | 117.8 Ų | 117.8 | 49% | 0.491 | 63% | 0.626 | S | S | . | * | trans | -51.4 | 140.5 | -159.4 | -68.5 | -160.1 | 166.6 | 0 | 0 | 115 | E1047 R1049 K1051 A1053 | E1045-E1047 HydrophobicContact CG-CG 4.18Å; E1045-R1049 IonicContact OE1-NH1 3.28Å; E1045-R1049 IonicContact OE2-CZ 3.27Å; E1045-R1049 IonicContact OE2-NH1 3.19Å; E1045-R1049 PolarHBondContact OE2-NH1 3.1Å; E1045-R1049 IonicContact OE2-NH2 2.67Å; E1045-R1049 PolarHBondContact OE2-NH2 3.33Å; E1045-K1051 CarbonylContact C-O 3.59Å; E1045-K1051 VanDerWaalsContact CA-O 3.3Å; E1045-K1051 WeakPolarHBondContact CA-O 3.48Å; E1045-A1053 HydrophobicContact CG-CB 4.08Å | ||
| 1046 | D | 28.6 | Very low | 26.7 | Very low | 71 Ų | 71 | 116.7 Ų | 116.7 | 38% | 0.38 | 63% | 0.629 | S | S | . | * | -109.4 | -39 | 81.6 | 179 | 51.1 | 0 | 0 | 0 | 116.5 | R1049 K1050 K1051 | D1046-R1049 VanDerWaalsContact C-CB 3.41Å; D1046-R1049 HydrophobicContact CB-CB 4.24Å; D1046-R1049 WeakPolarHBondContact O-CB 3.07Å; D1046-R1049 VanDerWaalsContact O-CD 3.32Å; D1046-R1049 WeakPolarHBondContact O-CD 3.42Å; D1046-R1049 PolarHBondContact O-NE 2.82Å; D1046-R1049 PolarHBondContact O-NH1 3.09Å; D1046-R1049 PolarHBondContact O-NH2 2.79Å; D1046-R1049 VanDerWaalsContact O-NH2 3.08Å; D1046-R1049 WeakPolarHBondContact OD1-CG 3.42Å; D1046-R1049 IonicContact OD1-CZ 3.44Å; D1046-R1049 IonicContact OD1-NE 3.82Å; D1046-R1049 PolarHBondContact OD1-NE 3.44Å; D1046-R1049 IonicContact OD1-NH2 3.61Å; D1046-R1049 PolarHBondContact OD1-NH2 3.17Å; D1046-R1049 VanDerWaalsContact OD2-CA 3.22Å; D1046-R1049 WeakPolarHBondContact OD2-CA 3.26Å; D1046-R1049 WeakPolarHBondContact OD2-CB 3.49Å; D1046-K1050 WeakPolarHBondContact CB-O 3.4Å; D1046-K1050 PolarHBondContact N-O 2.96Å; D1046-K1050 VanDerWaalsContact N-O 3.13Å; D1046-K1050 PolarHBondContact OD2-N 3.31Å; D1046-K1051 CarbonylContact C-O 3.41Å; D1046-K1051 PolarHBondContact N-O 3.22Å | |||
| 1047 | E | 26.3 | Very low | 26.6 | Very low | 40 Ų | 40 | 115.2 Ų | 115.2 | 19% | 0.187 | 63% | 0.63 | C | S | . | * | B | Isolated β-bridge | trans | 142.2 | -137.9 | -176.2 | 85.2 | 71.5 | -100 | 0 | 0 | 111.8 | E1045 R1049 K1050 K1051 H1052 | E1045-E1047 HydrophobicContact CG-CG 4.18Å; E1047-R1049 CarbonylContact C-O 3.56Å; E1047-R1049 VanDerWaalsContact C-O 3.28Å; E1047-R1049 VanDerWaalsContact CA-CB 3.42Å; E1047-R1049 CarbonylContact O-C 3.59Å; E1047-R1049 IonicContact OE1-CZ 2.63Å; E1047-R1049 IonicContact OE1-NE 2.63Å; E1047-R1049 IonicContact OE1-NH1 2.75Å; E1047-R1049 PolarHBondContact OE1-NH1 3.3Å; E1047-K1050 VanDerWaalsContact C-N 3.3Å; E1047-K1050 VanDerWaalsContact N-C 3.32Å; E1047-K1050 VanDerWaalsContact N-N 3.18Å; E1047-K1050 CarbonylContact O-C 3.55Å; E1047-K1050 VanDerWaalsContact O-C 3.24Å; E1047-K1050 WeakPolarHBondContact O-CA 3.28Å; E1047-K1050 PolarHBondContact O-N 3.06Å; E1047-K1051 WeakPolarHBondContact CB-O 3.2Å; E1047-K1051 PolarHBondContact N-O 3.19Å; E1047-K1051 PolarHBondContact O-N 3.31Å; E1047-H1052 HydrophobicContact CB-CB 4.44Å; E1047-H1052 WeakPolarHBondContact CB-ND1 3.48Å |
| 1048 | Q | 34.2 | Very low | 26.6 | Very low | 161 Ų | 161 | 117.2 Ų | 117.2 | 75% | 0.752 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | cis | 100.8 | -46.7 | 7.2 | -145.5 | 91.4 | -112.8 | 0 | 0 | 121.7 | ||
| 1049 | R | 33.6 | Very low | 26.6 | Very low | 133 Ų | 133 | 114 Ų | 114 | 50% | 0.502 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | cis | 58.9 | -168.9 | 7.3 | -71.8 | 164.8 | 80.6 | -147.1 | 0.7 | 111.7 | E1045 D1046 E1047 | E1045-R1049 IonicContact OE1-NH1 3.28Å; E1045-R1049 IonicContact OE2-CZ 3.27Å; E1045-R1049 IonicContact OE2-NH1 3.19Å; E1045-R1049 PolarHBondContact OE2-NH1 3.1Å; E1045-R1049 IonicContact OE2-NH2 2.67Å; E1045-R1049 PolarHBondContact OE2-NH2 3.33Å; D1046-R1049 VanDerWaalsContact C-CB 3.41Å; D1046-R1049 HydrophobicContact CB-CB 4.24Å; D1046-R1049 WeakPolarHBondContact O-CB 3.07Å; D1046-R1049 VanDerWaalsContact O-CD 3.32Å; D1046-R1049 WeakPolarHBondContact O-CD 3.42Å; D1046-R1049 PolarHBondContact O-NE 2.82Å; D1046-R1049 PolarHBondContact O-NH1 3.09Å; D1046-R1049 PolarHBondContact O-NH2 2.79Å; D1046-R1049 VanDerWaalsContact O-NH2 3.08Å; D1046-R1049 WeakPolarHBondContact OD1-CG 3.42Å; D1046-R1049 IonicContact OD1-CZ 3.44Å; D1046-R1049 IonicContact OD1-NE 3.82Å; D1046-R1049 PolarHBondContact OD1-NE 3.44Å; D1046-R1049 IonicContact OD1-NH2 3.61Å; D1046-R1049 PolarHBondContact OD1-NH2 3.17Å; D1046-R1049 VanDerWaalsContact OD2-CA 3.22Å; D1046-R1049 WeakPolarHBondContact OD2-CA 3.26Å; D1046-R1049 WeakPolarHBondContact OD2-CB 3.49Å; E1047-R1049 CarbonylContact C-O 3.56Å; E1047-R1049 VanDerWaalsContact C-O 3.28Å; E1047-R1049 VanDerWaalsContact CA-CB 3.42Å; E1047-R1049 CarbonylContact O-C 3.59Å; E1047-R1049 IonicContact OE1-CZ 2.63Å; E1047-R1049 IonicContact OE1-NE 2.63Å; E1047-R1049 IonicContact OE1-NH1 2.75Å; E1047-R1049 PolarHBondContact OE1-NH1 3.3Å |
| 1050 | K | 23.3 | Very low | 26.8 | Very low | 169 Ų | 169 | 116.7 Ų | 116.7 | 74% | 0.735 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.4 | 114.5 | 177.7 | -94.7 | 178.8 | 178.6 | 172.2 | 0 | 117.9 | D1046 E1047 | D1046-K1050 WeakPolarHBondContact CB-O 3.4Å; D1046-K1050 PolarHBondContact N-O 2.96Å; D1046-K1050 VanDerWaalsContact N-O 3.13Å; D1046-K1050 PolarHBondContact OD2-N 3.31Å; E1047-K1050 VanDerWaalsContact C-N 3.3Å; E1047-K1050 VanDerWaalsContact N-C 3.32Å; E1047-K1050 VanDerWaalsContact N-N 3.18Å; E1047-K1050 CarbonylContact O-C 3.55Å; E1047-K1050 VanDerWaalsContact O-C 3.24Å; E1047-K1050 WeakPolarHBondContact O-CA 3.28Å; E1047-K1050 PolarHBondContact O-N 3.06Å |
| 1051 | K | 24.3 | Very low | 26.8 | Very low | 163 Ų | 163 | 116.8 Ų | 116.8 | 71% | 0.709 | 62% | 0.624 | S | S | * | * | B | Isolated β-bridge | trans | 90.8 | 144.9 | 178.6 | -55.5 | 169 | -179.6 | 179.2 | 0 | 114 | E1045 D1046 E1047 | E1045-K1051 CarbonylContact C-O 3.59Å; E1045-K1051 VanDerWaalsContact CA-O 3.3Å; E1045-K1051 WeakPolarHBondContact CA-O 3.48Å; D1046-K1051 CarbonylContact C-O 3.41Å; D1046-K1051 PolarHBondContact N-O 3.22Å; E1047-K1051 WeakPolarHBondContact CB-O 3.2Å; E1047-K1051 PolarHBondContact N-O 3.19Å; E1047-K1051 PolarHBondContact O-N 3.31Å |
| 1052 | H | 22.9 | Very low | 26.8 | Very low | 108 Ų | 108 | 117.2 Ų | 117.2 | 50% | 0.5 | 62% | 0.619 | S | S | . | * | trans | -129.3 | 159.9 | -174.5 | -40.4 | -106 | 0 | 0 | 0 | 110.1 | S1043 E1047 | S1043-H1052 CarbonylContact C-O 3.58Å; S1043-H1052 WeakPolarHBondContact CB-O 3.44Å; S1043-H1052 CarbonylContact O-C 3.57Å; S1043-H1052 PolarHBondContact OG-O 3.44Å; E1047-H1052 HydrophobicContact CB-CB 4.44Å; E1047-H1052 WeakPolarHBondContact CB-ND1 3.48Å | ||
| 1053 | A | 24.8 | Very low | 26.7 | Very low | 38 Ų | 38 | 116 Ų | 116 | 31% | 0.314 | 61% | 0.608 | S | S | . | * | cis | -177.2 | 149.8 | -25.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | S1043 D1044 E1045 | S1043-A1053 PolarHBondContact O-N 3.49Å; D1044-A1053 VanDerWaalsContact OD1-CA 3.28Å; D1044-A1053 WeakPolarHBondContact OD1-CA 3.3Å; E1045-A1053 HydrophobicContact CG-CB 4.08Å | ||
| 1054 | S | 31 | Very low | 26.6 | Very low | 94 Ų | 94 | 117.7 Ų | 117.7 | 66% | 0.657 | 61% | 0.61 | S | S | * | * | trans | 80.3 | 125.4 | 158.8 | 72.3 | 0 | 0 | 0 | 0 | 121.3 | D1044 | D1044-S1054 PolarHBondContact OD1-N 3.42Å; D1044-S1054 PolarHBondContact OD2-N 2.98Å; D1044-S1054 VanDerWaalsContact OD2-N 3.16Å | ||
| 1055 | S | 24.3 | Very low | 26.6 | Very low | 105 Ų | 105 | 122.1 Ų | 122.1 | 73% | 0.734 | 63% | 0.626 | S | S | * | * | -171.5 | 142.1 | 114.5 | 34.1 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 1056 | E | 24.3 | Very low | 26.5 | Very low | 180 Ų | 180 | 122.9 Ų | 122.9 | 84% | 0.841 | 64% | 0.643 | S | S | * | * | trans | 45.1 | 123.8 | 146.6 | -58.5 | -174.7 | 161.6 | 0 | 0 | 124.9 | ||||
| 1057 | S | 24.6 | Very low | 26.3 | Very low | 108 Ų | 108 | 122.9 Ų | 122.9 | 76% | 0.755 | 66% | 0.659 | S | S | * | * | trans | 68.4 | 146.9 | 141.5 | 72.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1058 | D | 26.7 | Very low | 26.2 | Very low | 146 Ų | 146 | 125.9 Ų | 125.9 | 78% | 0.781 | 69% | 0.685 | S | S | * | * | cis | -159.7 | 167.7 | -11.4 | -125.8 | -34.8 | 0 | 0 | 0 | 111.4 | ||||
| 1059 | S | 26.9 | Very low | 25.7 | Very low | 86 Ų | 86 | 127.2 Ų | 127.2 | 60% | 0.601 | 69% | 0.691 | S | S | * | * | trans | 61.9 | 137.6 | 156.3 | 63.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1060 | D | 28.5 | Very low | 25.3 | Very low | 149 Ų | 149 | 125.7 Ų | 125.7 | 80% | 0.797 | 71% | 0.707 | S | S | * | * | trans | 49.1 | 147.5 | 130.4 | -53.7 | -6.7 | 0 | 0 | 0 | 120.6 | ||||
| 1061 | E | 25.4 | Very low | 25.3 | Very low | 156 Ų | 156 | 121.5 Ų | 121.5 | 73% | 0.729 | 71% | 0.711 | S | S | * | * | cis | 175.6 | 170.8 | -12.6 | -111.1 | -152.1 | 149.4 | 0 | 0 | 104.9 | ||||
| 1062 | N | 25.6 | Very low | 25.4 | Very low | 110 Ų | 110 | 119.4 Ų | 119.4 | 59% | 0.588 | 72% | 0.717 | S | S | * | * | trans | 68.1 | 124.9 | 147.2 | -91.2 | -63.2 | 0 | 0 | 0 | 123.3 | ||||
| 1063 | Q | 26.1 | Very low | 26.1 | Very low | 148 Ų | 148 | 119.2 Ų | 119.2 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | trans | 87.6 | 139 | 130.7 | -83.4 | 172.5 | 61.2 | 0 | 0 | 124.8 | ||||
| 1064 | N | 25.1 | Very low | 26.2 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 61% | 0.61 | 75% | 0.752 | S | S | * | * | trans | 64.7 | 120.1 | 144.5 | -70.1 | -36.1 | 0 | 0 | 0 | 118.9 | ||||
| 1065 | K | 26.2 | Very low | 26.1 | Very low | 181 Ų | 181 | 135.4 Ų | 135.4 | 79% | 0.787 | 76% | 0.764 | S | S | * | * | 95.9 | 152.6 | 61 | -91.3 | -170.3 | 179.9 | 176.7 | 0 | 112.5 | |||||
| 1066 | S | 24.9 | Very low | 27.2 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | 70.4 | 149.9 | -172.5 | -13.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1067 | G | 23.4 | Very low | 27.3 | Very low | 70 Ų | 70 | 138.1 Ų | 138.1 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | cis | 94 | 138.7 | 14.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1068 | S | 24.9 | Very low | 27.6 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | cis | -167.7 | 170.3 | -1.5 | 44.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 1069 | E | 23.7 | Very low | 27.6 | Very low | 189 Ų | 189 | 143.2 Ų | 143.2 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | trans | 62.4 | -178.2 | 168.4 | -60.6 | -179.4 | 146.8 | 0 | 0 | 115.2 | ||||
| 1070 | A | 23.7 | Very low | 27.6 | Very low | 101 Ų | 101 | 150 Ų | 150 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | -156 | 161 | -60.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 1071 | G | 24.1 | Very low | 27.5 | Very low | 80 Ų | 80 | 147.1 Ų | 147.1 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | 146.4 | 97.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1072 | S | 25.5 | Very low | 27.6 | Very low | 119 Ų | 119 | 147 Ų | 147 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -80 | 161.4 | 156.5 | -137.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1073 | P | 39.4 | Very low | 27.7 | Very low | 104 Ų | 104 | 149.4 Ų | 149.4 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | -162.2 | 174.5 | 74.4 | 43.6 | -22.7 | 0 | 0 | 0 | 119.9 | |||||
| 1074 | R | 26.1 | Very low | 27.8 | Very low | 232 Ų | 232 | 148.5 Ų | 148.5 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | trans | 69.7 | 108.9 | 152.1 | -73.5 | 159.4 | -174.1 | -147.4 | 1.2 | 119.1 | ||||
| 1075 | R | 28 | Very low | 27.8 | Very low | 240 Ų | 240 | 147.4 Ų | 147.4 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | 49.4 | 151.9 | 72 | -88.6 | -169.7 | 178.2 | -179.4 | 2.9 | 115.6 | |||||
| 1076 | P | 47.8 | Very low | 27.7 | Very low | 102 Ų | 102 | 145.3 Ų | 145.3 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | cis | -132.4 | 159.8 | 4.3 | 35.3 | -17.5 | 0 | 0 | 0 | 116.5 | ||||
| 1077 | R | 27.3 | Very low | 27.8 | Very low | 240 Ų | 240 | 144.5 Ų | 144.5 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | -154.4 | -138.7 | 119.8 | -102.4 | 152.5 | -162 | -128.6 | 4.3 | 113.2 | |||||
| 1078 | R | 30.2 | Very low | 28 | Very low | 216 Ų | 216 | 148.9 Ų | 148.9 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | trans | -154.4 | 153.8 | -134.4 | -117.7 | -176.2 | -160.7 | -119.7 | 10 | 113.1 | ||||
| 1079 | Q | 27.1 | Very low | 28 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | cis | -130.8 | 172.4 | 2.8 | -37.4 | -153.1 | 102.3 | 0 | 0 | 114 | ||||
| 1080 | R | 26.6 | Very low | 29 | Very low | 230 Ų | 230 | 148.5 Ų | 148.5 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | trans | -17.9 | 154.2 | 148.2 | -64.4 | 177.8 | 173.7 | -175.8 | -6.1 | 118.3 | ||||
| 1081 | S | 27.3 | Very low | 29 | Very low | 88 Ų | 88 | 149.5 Ų | 149.5 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | cis | -174.2 | 170.3 | -15.6 | 57.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 1082 | D | 26.8 | Very low | 29.1 | Very low | 153 Ų | 153 | 156.8 Ų | 156.8 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | cis | -136.8 | -175.2 | 14 | -74.9 | -80.4 | 0 | 0 | 0 | 111.1 | ||||
| 1083 | Q | 27.8 | Very low | 29.2 | Very low | 160 Ų | 160 | 160.6 Ų | 160.6 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -132.4 | 147.1 | -178.9 | -107.4 | -175.8 | -82 | 0 | 0 | 110.7 | ||||
| 1084 | D | 27.4 | Very low | 28.5 | Very low | 130 Ų | 130 | 166.9 Ų | 166.9 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | trans | 57.2 | 160.1 | 143.2 | -47.6 | -12.4 | 0 | 0 | 0 | 118.7 | ||||
| 1085 | S | 25.6 | Very low | 28.5 | Very low | 91 Ų | 91 | 166.5 Ų | 166.5 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | cis | -156.7 | 163.1 | -14.4 | -130.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1086 | D | 25.2 | Very low | 28.8 | Very low | 136 Ų | 136 | 161.1 Ų | 161.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 47.5 | 138.7 | 146 | -61.1 | -59.3 | 0 | 0 | 0 | 124.3 | ||||
| 1087 | S | 25.9 | Very low | 27.8 | Very low | 105 Ų | 105 | 161.7 Ų | 161.7 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | 86.4 | 136.5 | 146.3 | 70 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1088 | D | 27.8 | Very low | 27.8 | Very low | 161 Ų | 161 | 153.7 Ų | 153.7 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | 77.2 | 157.3 | 148.1 | -65.9 | -8 | 0 | 0 | 0 | 124.7 | ||||
| 1089 | Q | 25.6 | Very low | 27.6 | Very low | 180 Ų | 180 | 148.3 Ų | 148.3 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | trans | -103.3 | -173.3 | -169.4 | -58.4 | -172.8 | 7.3 | 0 | 0 | 111.4 | ||||
| 1090 | P | 43.3 | Very low | 27.5 | Very low | 106 Ų | 106 | 149.7 Ų | 149.7 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | cis | -128.4 | -169.2 | -41.8 | 25.5 | -4.7 | 0 | 0 | 0 | 112.6 | ||||
| 1091 | S | 25.1 | Very low | 27.7 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | 102.2 | 165.4 | 147.8 | 88.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1092 | R | 26.3 | Very low | 27.8 | Very low | 232 Ų | 232 | 148.6 Ų | 148.6 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | trans | -119.7 | 139.1 | -155.9 | -65.1 | 168.9 | 165.6 | 170.1 | -7 | 113.3 | ||||
| 1093 | K | 26.2 | Very low | 27.8 | Very low | 200 Ų | 200 | 147.6 Ų | 147.6 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | trans | 172.4 | 154.9 | 142.1 | -89.7 | 144 | -165.8 | 170.3 | 0 | 107.5 | ||||
| 1094 | R | 25 | Very low | 27.8 | Very low | 236 Ų | 236 | 146.6 Ų | 146.6 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | cis | -149.9 | 175.1 | 11.8 | -135.1 | 166.9 | -173 | 175 | -0.2 | 111.4 | ||||
| 1095 | R | 26.6 | Very low | 27.8 | Very low | 224 Ų | 224 | 149.3 Ų | 149.3 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -67.7 | 176.4 | -174.9 | -46.4 | 173.1 | 169.9 | 164.7 | -7.4 | 115.5 | ||||
| 1096 | P | 33.7 | Very low | 28 | Very low | 126 Ų | 126 | 149.7 Ų | 149.7 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | -101.6 | 165.3 | 124.4 | -17.3 | 33.5 | 0 | 0 | 0 | 115.8 | |||||
| 1097 | S | 26.4 | Very low | 28.1 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -85.7 | 173.2 | 173 | 49.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1098 | G | 27.6 | Very low | 28.3 | Very low | 71 Ų | 71 | 152.6 Ų | 152.6 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | cis | 109.8 | 122.2 | 0.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1099 | S | 27.1 | Very low | 28.2 | Very low | 104 Ų | 104 | 151 Ų | 151 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -160.5 | 157.8 | 178.7 | 50.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1100 | E | 25.4 | Very low | 28.6 | Very low | 174 Ų | 174 | 145.8 Ų | 145.8 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | 66.1 | 121.2 | 175.1 | -65.3 | 161.8 | -151.6 | 0 | 0 | 114.7 | ||||
| 1101 | Q | 30.1 | Very low | 27.9 | Very low | 192 Ų | 192 | 152.4 Ų | 152.4 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | cis | 70.4 | 136 | 21.5 | -57.5 | -173.4 | -61 | 0 | 0 | 115.7 | ||||
| 1102 | S | 28.3 | Very low | 28 | Very low | 103 Ų | 103 | 151.5 Ų | 151.5 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | cis | -124.2 | -141.3 | 0.3 | 51.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1103 | D | 27.8 | Very low | 28.2 | Very low | 132 Ų | 132 | 151.8 Ų | 151.8 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | cis | -153.8 | -149.4 | 4.5 | -146.8 | -87.8 | 0 | 0 | 0 | 112.8 | ||||
| 1104 | N | 28.5 | Very low | 28.5 | Very low | 138 Ų | 138 | 148 Ų | 148 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | -109.8 | 159.5 | -165.9 | -63.4 | -82.8 | 0 | 0 | 0 | 116.1 | ||||
| 1105 | E | 26.5 | Very low | 28.6 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | -166 | 168.7 | 109.7 | -117.6 | -173.9 | -169.4 | 0 | 0 | 115.1 | |||||
| 1106 | S | 28.8 | Very low | 29.1 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | trans | -75.5 | 147.8 | -173.2 | 36 | 0 | 0 | 0 | 0 | 115 | ||||
| 1107 | V | 29.1 | Very low | 28.9 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | cis | 92.8 | 119.6 | 42 | 172.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1108 | Q | 30.1 | Very low | 29.3 | Very low | 183 Ų | 183 | 137.4 Ų | 137.4 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | 64.6 | 128.1 | 165.9 | -71.7 | 171.6 | 22.4 | 0 | 0 | 118.8 | ||||
| 1109 | S | 25.4 | Very low | 29.6 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | -163.4 | -177.9 | 70.4 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1110 | G | 33.4 | Very low | 29.7 | Very low | 71 Ų | 71 | 140.6 Ų | 140.6 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | trans | -170.8 | 153.5 | 174 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1111 | R | 27.8 | Very low | 29.8 | Very low | 245 Ų | 245 | 136.2 Ų | 136.2 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | trans | -166.8 | 154.6 | 169.6 | -122.6 | 176.2 | -177.5 | -174.9 | 0.3 | 114.4 | ||||
| 1112 | S | 27.3 | Very low | 29.8 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | 58.7 | 101.4 | 152.1 | 50.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1113 | R | 30.6 | Very low | 30.8 | Very low | 237 Ų | 237 | 138.5 Ų | 138.5 | 89% | 0.894 | 77% | 0.769 | S | S | * | * | 57.3 | 126.6 | 119.4 | -85.5 | -174.2 | 170.5 | 173.3 | -3.5 | 122.9 | |||||
| 1114 | S | 34 | Very low | 30.8 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | 69.2 | 114.7 | 137.7 | 59.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1115 | G | 25.8 | Very low | 30.9 | Very low | 74 Ų | 74 | 134.6 Ų | 134.6 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | trans | 176.9 | 91.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1116 | V | 36.7 | Very low | 32.2 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | trans | 43.3 | 152.4 | 145.5 | -175.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1117 | S | 31.3 | Very low | 32.1 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | 71.3 | 137.3 | 168.4 | 46.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1118 | E | 34.2 | Very low | 32.1 | Very low | 169 Ų | 169 | 129 Ų | 129 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | cis | 67 | 139.8 | 45.1 | -62.4 | -171.3 | 164.4 | 0 | 0 | 112.8 | ||||
| 1119 | N | 33.6 | Very low | 31.9 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 66% | 0.658 | 76% | 0.758 | S | S | * | * | cis | -163.1 | -177.1 | -14.3 | -111.8 | 13.5 | 0 | 0 | 0 | 106.4 | ||||
| 1120 | D | 29.4 | Very low | 32.1 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | cis | -163.3 | 174.9 | 3.2 | -120.4 | -29.4 | 0 | 0 | 0 | 106.9 | ||||
| 1121 | S | 28 | Very low | 31.8 | Very low | 83 Ų | 83 | 130.7 Ų | 130.7 | 58% | 0.58 | 75% | 0.746 | S | S | * | * | cis | -160 | 130.3 | -16.8 | -129.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 1122 | R | 29.4 | Very low | 31.9 | Very low | 226 Ų | 226 | 126.3 Ų | 126.3 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | 88.5 | 149.4 | 85 | -76.9 | -169.9 | 167.8 | -153.9 | -2.4 | 115.4 | |||||
| 1123 | P | 48.9 | Very low | 31.9 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | -144.6 | -167.9 | -126.1 | 44.7 | -25 | 0 | 0 | 0 | 116.5 | |||||
| 1124 | A | 28 | Very low | 31.8 | Very low | 83 Ų | 83 | 123.6 Ų | 123.6 | 69% | 0.686 | 74% | 0.735 | S | S | * | * | trans | 65.2 | 115.4 | 140.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1125 | S | 29.8 | Very low | 31.6 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | -13.5 | -179.8 | 115.2 | 63.9 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 1126 | P | 54.6 | Low | 31.8 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 68% | 0.675 | 73% | 0.731 | S | S | * | * | cis | -138.8 | -166.3 | 1.7 | 28.1 | -1.8 | 0 | 0 | 0 | 114.7 | ||||
| 1127 | S | 26.7 | Very low | 31.3 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | trans | 60.9 | 166.8 | 138.7 | 54.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1128 | A | 28.5 | Very low | 31.2 | Very low | 75 Ų | 75 | 129.1 Ų | 129.1 | 62% | 0.62 | 73% | 0.729 | S | S | * | * | cis | -179.8 | 149.8 | -35.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1129 | E | 27.6 | Very low | 31 | Very low | 190 Ų | 190 | 128.2 Ų | 128.2 | 89% | 0.888 | 73% | 0.73 | S | S | * | * | trans | 60 | 159.2 | 163.1 | -68 | 158.5 | -171.1 | 0 | 0 | 116.7 | ||||
| 1130 | S | 28.3 | Very low | 30.8 | Very low | 90 Ų | 90 | 129.2 Ų | 129.2 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | cis | -157.3 | 171.8 | -30.6 | 56.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1131 | D | 28.5 | Very low | 30.9 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | 76.8 | 130.2 | 150.1 | -56 | -38.9 | 0 | 0 | 0 | 124.4 | ||||
| 1132 | H | 28.9 | Very low | 31 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | 56.5 | 116.9 | 149.4 | -76.5 | -83.7 | 0 | 0 | 0 | 124 | ||||
| 1133 | E | 27.8 | Very low | 31 | Very low | 165 Ų | 165 | 127 Ų | 127 | 77% | 0.771 | 76% | 0.755 | S | S | * | * | 34.6 | 129.4 | 123.2 | -58.1 | 173.5 | 142.4 | 0 | 0 | 119 | |||||
| 1134 | S | 28.3 | Very low | 30.1 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | -170.1 | 176 | 55.8 | 48.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1135 | E | 29.5 | Very low | 30.6 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | -46.1 | 162.1 | 174.8 | -45.8 | 178.8 | 169.3 | 0 | 0 | 114.4 | ||||
| 1136 | R | 29.7 | Very low | 30.5 | Very low | 224 Ų | 224 | 130.2 Ų | 130.2 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | cis | -172.1 | 158 | 38.1 | -161.8 | 173.8 | -89.6 | -154.6 | -8.7 | 112.1 | ||||
| 1137 | G | 26.9 | Very low | 29.6 | Very low | 73 Ų | 73 | 131.1 Ų | 131.1 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | 101 | 140 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1138 | S | 29.6 | Very low | 29.8 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | -155.2 | 153.3 | -0.1 | 52.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1139 | D | 29.5 | Very low | 29.8 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | trans | 40.6 | 109.5 | 150.4 | -48.4 | -28.7 | 0 | 0 | 0 | 119 | ||||
| 1140 | N | 29.9 | Very low | 30.1 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | 93.7 | 158.1 | 70.4 | -172.9 | 41.6 | 0 | 0 | 0 | 112.5 | |||||
| 1141 | E | 30.5 | Very low | 30.2 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | 70 | 147.2 | -175.3 | -51.8 | -174.1 | -174.3 | 0 | 0 | 115.4 | ||||
| 1142 | G | 29.5 | Very low | 30.4 | Very low | 73 Ų | 73 | 135.6 Ų | 135.6 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | cis | -166.9 | 136.6 | -2.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1143 | S | 31.2 | Very low | 31.3 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | -52.1 | 150.8 | 174.5 | 51.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1144 | G | 29.4 | Very low | 31.5 | Very low | 82 Ų | 82 | 134.4 Ų | 134.4 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | -165.8 | 130 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1145 | Q | 37.2 | Very low | 31.4 | Very low | 211 Ų | 211 | 132.7 Ų | 132.7 | 99% | 0.986 | 81% | 0.81 | S | S | * | * | trans | -88.4 | 160.6 | 173.5 | -63.9 | 168 | -45.4 | 0 | 0 | 111.2 | ||||
| 1146 | G | 29.2 | Very low | 31.5 | Very low | 79 Ų | 79 | 130.6 Ų | 130.6 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | -168.1 | 145.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1147 | S | 34.6 | Very low | 31.7 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -135 | 140.8 | -162.9 | 58.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1148 | G | 30.8 | Very low | 32 | Very low | 69 Ų | 69 | 130.4 Ų | 130.4 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | 90.4 | 131.8 | 141.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1149 | N | 29.9 | Very low | 32.1 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | -166.1 | 168.9 | 123.2 | -110.9 | 7.5 | 0 | 0 | 0 | 112.3 | |||||
| 1150 | E | 32.8 | Very low | 32.3 | Very low | 179 Ų | 179 | 131.3 Ų | 131.3 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | trans | -72.6 | 174.8 | -176.9 | -55.7 | 160.8 | 142.5 | 0 | 0 | 111.5 | ||||
| 1151 | S | 30.1 | Very low | 32.4 | Very low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | cis | -162.9 | 163.5 | 27 | 58.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1152 | E | 33.5 | Very low | 32.7 | Very low | 167 Ų | 167 | 127.9 Ų | 127.9 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | trans | -101.2 | 177.3 | 168.1 | -128.9 | -170.3 | -112.4 | 0 | 0 | 110.6 | ||||
| 1153 | P | 48.5 | Very low | 32.8 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 71% | 0.708 | 81% | 0.814 | S | S | * | * | -149.4 | 165.4 | 52.4 | 41.6 | -20.4 | 0 | 0 | 0 | 119.7 | |||||
| 1154 | E | 30.8 | Very low | 32.8 | Very low | 184 Ų | 184 | 133.1 Ų | 133.1 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | 44.8 | 140.2 | 141.8 | -65 | -170.4 | 156.6 | 0 | 0 | 124.6 | ||||
| 1155 | G | 26.9 | Very low | 32.9 | Very low | 83 Ų | 83 | 134.2 Ų | 134.2 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | -176.5 | 108.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1156 | S | 30.5 | Very low | 32.6 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -115.5 | 146.3 | -159.9 | 65.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 1157 | N | 34.2 | Very low | 32.8 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | trans | 65.6 | 170.6 | 146.3 | -63.2 | -6.6 | 0 | 0 | 0 | 116.9 | ||||
| 1158 | N | 33.9 | Very low | 32.7 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | cis | -154.5 | 156.7 | 18.1 | -140.8 | -0.6 | 0 | 0 | 0 | 112.3 | ||||
| 1159 | E | 31.5 | Very low | 32.7 | Very low | 188 Ų | 188 | 136.1 Ų | 136.1 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -102.8 | 172.8 | 153.9 | -89.1 | -163.1 | 146.3 | 0 | 0 | 110 | ||||
| 1160 | A | 32.9 | Very low | 33 | Very low | 85 Ų | 85 | 135.4 Ų | 135.4 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | trans | -122 | 139.4 | -155.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1161 | S | 33.3 | Very low | 33.2 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | 62.5 | 145.5 | 141.7 | 62.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1162 | D | 35.9 | Very low | 33.8 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | cis | -172 | 169.4 | -14 | 174.3 | 36.8 | 0 | 0 | 0 | 107.7 | ||||
| 1163 | R | 32.5 | Very low | 34.6 | Very low | 228 Ų | 228 | 136.7 Ų | 136.7 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | 84.2 | 110.2 | 164.4 | -49.5 | -174 | 178 | -174.5 | -3.3 | 119 | ||||
| 1164 | G | 29.9 | Very low | 33.9 | Very low | 82 Ų | 82 | 138.1 Ų | 138.1 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -174.5 | 105.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1165 | S | 31.8 | Very low | 34.1 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | -100.2 | 152.7 | -160.7 | 52 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1166 | E | 32.1 | Very low | 34.5 | Very low | 174 Ų | 174 | 138.6 Ų | 138.6 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | 82.7 | 154 | 156.7 | -72.9 | 168.9 | -171.3 | 0 | 0 | 120.3 | ||||
| 1167 | H | 32.9 | Very low | 34.7 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | -53.4 | 160.5 | -161.2 | -47.5 | -50.1 | 0 | 0 | 0 | 117.5 | ||||
| 1168 | G | 31.7 | Very low | 34.7 | Very low | 61 Ų | 61 | 140.5 Ų | 140.5 | 63% | 0.629 | 81% | 0.81 | S | S | * | * | cis | 146 | 170.3 | -1.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1169 | S | 31.8 | Very low | 34.8 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | trans | 61.5 | 119.9 | 172.5 | 44.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1170 | D | 35.6 | Very low | 35 | Very low | 147 Ų | 147 | 136.6 Ų | 136.6 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | trans | 70.7 | 143.6 | 133.7 | -49.5 | 3.4 | 0 | 0 | 0 | 119 | ||||
| 1171 | D | 37.5 | Very low | 35.2 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 77% | 0.765 | 82% | 0.815 | S | S | * | * | cis | -170.5 | 141.6 | -26.9 | -126.2 | -10.2 | 0 | 0 | 0 | 106.9 | ||||
| 1172 | S | 41.4 | Very low | 35.3 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | 57.1 | 140 | -178.9 | 47.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1173 | D | 50.7 | Low | 35.3 | Very low | 237 Ų | 237 | 143.2 Ų | 143.2 | 100% | 1.267 | 82% | 0.822 | S | S | * | * | cis | -126.7 | 0 | 1.5 | -74.2 | -50.7 | 0 | 0 | 0 | 111 |
Retrieved 1,173 of 1,173 residues in 6079.5 ms
(Link to these results)