| 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 | 35.3 | Very low | 43.1 | Very low | 234 Ų | 234 | 98.3 Ų | 98.3 | 100% | 1.153 | 60% | 0.603 | S | S | * | * | 0 | 123.7 | 0 | -66.8 | -155.9 | -68.7 | 0 | 0 | 107.4 | |||||
| 2 | S | 37 | Very low | 43.3 | Very low | 63 Ų | 63 | 100.3 Ų | 100.3 | 44% | 0.441 | 62% | 0.615 | S | S | . | * | trans | -74.5 | 158 | -178.5 | 64.5 | 0 | 0 | 0 | 0 | 111 | E4 A5 | S2-E4 PolarHBondContact O-N 3.13Å; S2-E4 VanDerWaalsContact O-N 3.16Å; S2-A5 WeakPolarHBondContact O-CB 3.41Å; S2-A5 PolarHBondContact O-N 3.34Å | ||
| 3 | A | 39.6 | Very low | 43.2 | Very low | 83 Ų | 83 | 102.5 Ų | 102.5 | 69% | 0.686 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -55.5 | -28.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A5 A6 D7 | A3-A5 VanDerWaalsContact C-N 3.3Å; A3-A5 PolarHBondContact O-N 3.26Å; A3-A6 WeakPolarHBondContact O-CB 3.37Å; A3-A6 PolarHBondContact O-N 2.89Å; A3-A6 VanDerWaalsContact O-N 3.13Å; A3-D7 PolarHBondContact O-N 3.37Å |
| 4 | E | 40.7 | Very low | 42.7 | Very low | 116 Ų | 116 | 99.3 Ų | 99.3 | 54% | 0.542 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61 | -32.5 | 174 | -91 | 178.7 | 145.3 | 0 | 0 | 114 | S2 A6 R8 | S2-E4 PolarHBondContact O-N 3.13Å; S2-E4 VanDerWaalsContact O-N 3.16Å; E4-A6 VanDerWaalsContact C-N 3.28Å; E4-A6 PolarHBondContact O-N 3.41Å; E4-R8 PolarHBondContact O-N 3.42Å |
| 5 | A | 43.8 | Very low | 42.8 | Very low | 41 Ų | 41 | 100.9 Ų | 100.9 | 34% | 0.339 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -71.4 | -27.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S2 A3 | S2-A5 WeakPolarHBondContact O-CB 3.41Å; S2-A5 PolarHBondContact O-N 3.34Å; A3-A5 VanDerWaalsContact C-N 3.3Å; A3-A5 PolarHBondContact O-N 3.26Å |
| 6 | A | 45.4 | Very low | 42.6 | Very low | 68 Ų | 68 | 108.9 Ų | 108.9 | 56% | 0.562 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -77.6 | -37.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A3 E4 R8 V9 | A3-A6 WeakPolarHBondContact O-CB 3.37Å; A3-A6 PolarHBondContact O-N 2.89Å; A3-A6 VanDerWaalsContact O-N 3.13Å; E4-A6 VanDerWaalsContact C-N 3.28Å; E4-A6 PolarHBondContact O-N 3.41Å; A6-R8 VanDerWaalsContact C-N 3.33Å; A6-R8 PolarHBondContact O-N 3.22Å; A6-V9 PolarHBondContact O-N 3.31Å |
| 7 | D | 45.1 | Very low | 42.5 | Very low | 119 Ų | 119 | 110.5 Ų | 110.5 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67.7 | -30.4 | 178.2 | -81.6 | -21.9 | 0 | 0 | 0 | 113.1 | A3 V9 A10 A11 | A3-D7 PolarHBondContact O-N 3.37Å; D7-V9 VanDerWaalsContact C-N 3.32Å; D7-V9 PolarHBondContact O-N 3.25Å; D7-A10 PolarHBondContact O-N 3.43Å; D7-A11 PolarHBondContact O-N 3.47Å |
| 8 | R | 48.1 | Very low | 42.3 | Very low | 93 Ų | 93 | 107.9 Ų | 107.9 | 35% | 0.351 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -67.7 | -28.7 | 177.5 | -78.3 | -173.7 | 173.7 | -175.9 | -2.4 | 113.8 | E4 A6 A10 Q22 S24 E27 | E4-R8 PolarHBondContact O-N 3.42Å; A6-R8 VanDerWaalsContact C-N 3.33Å; A6-R8 PolarHBondContact O-N 3.22Å; R8-A10 VanDerWaalsContact C-N 3.3Å; R8-Q22 PolarHBondContact NH2-O 3.34Å; R8-S24 PolarHBondContact NH2-OG 3.13Å; R8-E27 IonicContact CZ-OE1 2.62Å; R8-E27 IonicContact NH1-OE1 3.99Å; R8-E27 PolarHBondContact NH1-OE1 3.01Å; R8-E27 IonicContact NH2-OE1 3.87Å |
| 9 | V | 49.5 | Very low | 42.3 | Very low | 116 Ų | 116 | 109.2 Ų | 109.2 | 70% | 0.703 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -71.7 | -28.9 | 175.7 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | A6 D7 | A6-V9 PolarHBondContact O-N 3.31Å; D7-V9 VanDerWaalsContact C-N 3.32Å; D7-V9 PolarHBondContact O-N 3.25Å |
| 10 | A | 45.9 | Very low | 42.8 | Very low | 70 Ų | 70 | 109.6 Ų | 109.6 | 58% | 0.579 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -77.5 | -23.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D7 R8 T13 | D7-A10 PolarHBondContact O-N 3.43Å; R8-A10 VanDerWaalsContact C-N 3.3Å; A10-T13 PolarHBondContact O-OG1 3.48Å |
| 11 | A | 43.2 | Very low | 43.5 | Very low | 78 Ų | 78 | 111.5 Ų | 111.5 | 65% | 0.645 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -81.8 | -14.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D7 T13 | D7-A11 PolarHBondContact O-N 3.47Å; A11-T13 VanDerWaalsContact C-N 3.26Å; A11-T13 PolarHBondContact O-N 3.3Å |
| 12 | V | 45.5 | Very low | 45 | Very low | 123 Ų | 123 | 104.9 Ų | 104.9 | 75% | 0.745 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -75 | -12.6 | -175.8 | 178.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 13 | T | 42.4 | Very low | 46.9 | Very low | 129 Ų | 129 | 102.8 Ų | 102.8 | 79% | 0.791 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -96.2 | 5.1 | -175.2 | 49.8 | 0 | 0 | 0 | 0 | 115.2 | A10 A11 | A10-T13 PolarHBondContact O-OG1 3.48Å; A11-T13 VanDerWaalsContact C-N 3.26Å; A11-T13 PolarHBondContact O-N 3.3Å |
| 14 | G | 36.9 | Very low | 48.9 | Very low | 57 Ų | 57 | 99.9 Ų | 99.9 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -114.1 | 118.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R16 | G14-R16 PolarHBondContact O-N 3.13Å; G14-R16 VanDerWaalsContact O-N 3.13Å |
| 15 | S | 44.2 | Very low | 50.8 | Low | 124 Ų | 124 | 96.7 Ų | 96.7 | 87% | 0.867 | 59% | 0.594 | S | S | * | * | trans | -70.8 | 93.7 | -178 | 56.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 16 | R | 38.3 | Very low | 52.6 | Low | 228 Ų | 228 | 97.2 Ų | 97.2 | 86% | 0.86 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -147 | 151.3 | 153.8 | -82.6 | -170.8 | 176.4 | 172.1 | -1.2 | 109.3 | G14 G18 | G14-R16 PolarHBondContact O-N 3.13Å; G14-R16 VanDerWaalsContact O-N 3.13Å; R16-G18 VanDerWaalsContact C-N 3.35Å; R16-G18 PolarHBondContact O-N 3.22Å |
| 17 | P | 42.3 | Very low | 54.4 | Low | 137 Ų | 137 | 96.3 Ų | 96.3 | 89% | 0.89 | 57% | 0.572 | S | S | * | * | trans | -68.5 | 98 | 171.9 | 12.3 | -1.1 | 0 | 0 | 0 | 107.7 | ||||
| 18 | G | 38.5 | Very low | 56.2 | Low | 63 Ų | 63 | 90.9 Ų | 90.9 | 65% | 0.649 | 54% | 0.543 | S | S | * | . | trans | -75.8 | 139.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R16 | R16-G18 VanDerWaalsContact C-N 3.35Å; R16-G18 PolarHBondContact O-N 3.22Å | ||
| 19 | T | 42 | Very low | 57.8 | Low | 133 Ų | 133 | 89.2 Ų | 89.2 | 82% | 0.816 | 54% | 0.541 | S | S | * | . | trans | -41.5 | 136.7 | 160 | -8.3 | 0 | 0 | 0 | 0 | 109.6 | L21 | T19-L21 PolarHBondContact O-N 3.06Š| ||
| 20 | P | 51.7 | Low | 59.2 | Low | 116 Ų | 116 | 90.6 Ų | 90.6 | 75% | 0.753 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 133.7 | -179.5 | 18.6 | -30.6 | 0 | 0 | 0 | 110.8 | Q22 | P20-Q22 PolarHBondContact O-N 3.12Š|
| 21 | L | 57.6 | Low | 60.8 | Low | 151 Ų | 151 | 91.4 Ų | 91.4 | 79% | 0.791 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 121.2 | 180 | -74.7 | 155.7 | 0 | 0 | 0 | 109.8 | T19 | T19-L21 PolarHBondContact O-N 3.06Š|
| 22 | Q | 67.6 | Low | 62 | Low | 94 Ų | 94 | 91 Ų | 91 | 44% | 0.439 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 129.1 | 176.6 | -168.6 | 178.4 | 32.3 | 0 | 0 | 110.3 | R8 P20 S24 D45 P46 | R8-Q22 PolarHBondContact NH2-O 3.34Å; P20-Q22 PolarHBondContact O-N 3.12Å; Q22-S24 PolarHBondContact O-N 3.41Å; Q22-D45 PolarHBondContact NE2-OD1 3.07Å; Q22-P46 HydrophobicContact CG-CG 4.09Å |
| 23 | V | 75.9 | Confident | 63.5 | Low | 20 Ų | 20 | 86.9 Ų | 86.9 | 12% | 0.121 | 52% | 0.524 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 121.3 | 178.4 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | E27 F28 L34 P46 | V23-E27 HydrophobicContact CG1-CB 4.14Å; V23-F28 HydrophobicContact CB-CE2 4.3Å; V23-F28 HydrophobicContact CB-CZ 4.09Å; V23-F28 HydrophobicContact CG1-CD2 4.36Å; V23-F28 HydrophobicContact CG1-CE1 4.14Å; V23-F28 HydrophobicContact CG1-CE2 3.62Å; V23-F28 HydrophobicContact CG1-CZ 3.5Å; V23-F28 VanDerWaalsContact CG1-CZ 3.5Å; V23-L34 HydrophobicContact CG1-CD2 3.91Å; V23-P46 WeakPolarHBondContact O-CD 3.41Å |
| 24 | S | 81.8 | Confident | 65.5 | Low | 22 Ų | 22 | 82.3 Ų | 82.3 | 15% | 0.154 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 150.3 | -179.3 | -72.2 | 0 | 0 | 0 | 0 | 112.3 | R8 Q22 F26 E27 | R8-S24 PolarHBondContact NH2-OG 3.13Å; Q22-S24 PolarHBondContact O-N 3.41Å; S24-F26 PolarHBondContact O-N 3.26Å; S24-E27 PolarHBondContact N-OE1 3.35Å; S24-E27 WeakPolarHBondContact O-CB 3.47Å; S24-E27 PolarHBondContact O-N 3.39Å |
| 25 | W | 81.9 | Confident | 67.7 | Low | 49 Ų | 49 | 79.8 Ų | 79.8 | 19% | 0.186 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -32.9 | -176.4 | 69.9 | -92.2 | 0 | 0 | 0 | 114.4 | E27 L29 Q54 F55 Q58 L82 | W25-E27 VanDerWaalsContact C-N 3.34Å; W25-L29 HydrophobicContact CE3-CD1 4.33Å; W25-L29 HydrophobicContact CZ3-CD1 3.68Å; W25-Q54 HydrophobicContact CB-CB 4.38Å; W25-F55 HydrophobicContact CB-CD1 4.36Å; W25-F55 HydrophobicContact CB-CE1 4.15Å; W25-Q58 HydrophobicContact CD2-CG 4.09Å; W25-Q58 HydrophobicContact CE3-CG 4.44Å; W25-Q58 HydrophobicContact CG-CG 4.47Å; W25-Q58 HydrophobicContact CZ2-CG 4.48Å; W25-L82 HydrophobicContact CE3-CD2 3.88Å; W25-L82 HydrophobicContact CZ3-CD1 4.26Å; W25-L82 HydrophobicContact CZ3-CD2 4.06Å |
| 26 | F | 80.8 | Confident | 69.5 | Low | 52 Ų | 52 | 77.8 Ų | 77.8 | 23% | 0.228 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -20.2 | -177.9 | 66.1 | -96.2 | 0 | 0 | 0 | 113 | S24 F28 L29 L30 | S24-F26 PolarHBondContact O-N 3.26Å; F26-F28 VanDerWaalsContact C-N 3.26Å; F26-F28 PolarHBondContact O-N 3.02Å; F26-L29 WeakPolarHBondContact O-CB 3.46Å; F26-L29 PolarHBondContact O-N 2.67Å; F26-L29 VanDerWaalsContact O-N 3.1Å; F26-L30 HydrophobicContact CD2-CD1 4.15Å; F26-L30 PolarHBondContact O-N 2.91Å |
| 27 | E | 82.8 | Confident | 71.7 | Confident | 49 Ų | 49 | 70.9 Ų | 70.9 | 23% | 0.229 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.2 | -33.1 | 177.6 | -64.6 | 173.8 | -145.3 | 0 | 0 | 110.8 | R8 V23 S24 W25 L29 L30 D31 L34 | R8-E27 IonicContact CZ-OE1 2.62Å; R8-E27 IonicContact NH1-OE1 3.99Å; R8-E27 PolarHBondContact NH1-OE1 3.01Å; R8-E27 IonicContact NH2-OE1 3.87Å; V23-E27 HydrophobicContact CG1-CB 4.14Å; S24-E27 PolarHBondContact N-OE1 3.35Å; S24-E27 WeakPolarHBondContact O-CB 3.47Å; S24-E27 PolarHBondContact O-N 3.39Å; W25-E27 VanDerWaalsContact C-N 3.34Å; E27-L29 PolarHBondContact O-N 3.16Å; E27-L30 PolarHBondContact O-N 3.25Å; E27-D31 PolarHBondContact O-N 3.49Å; E27-D31 VanDerWaalsContact O-N 3.13Å; E27-L34 HydrophobicContact CB-CD2 3.83Å |
| 28 | F | 83.9 | Confident | 73.8 | Confident | 5 Ų | 5 | 64.4 Ų | 64.4 | 2% | 0.022 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.7 | -14.8 | 173.3 | -58.7 | -77.5 | 0 | 0 | 0 | 114 | V23 F26 L34 L35 H38 L51 F55 L85 | V23-F28 HydrophobicContact CB-CE2 4.3Å; V23-F28 HydrophobicContact CB-CZ 4.09Å; V23-F28 HydrophobicContact CG1-CD2 4.36Å; V23-F28 HydrophobicContact CG1-CE1 4.14Å; V23-F28 HydrophobicContact CG1-CE2 3.62Å; V23-F28 HydrophobicContact CG1-CZ 3.5Å; V23-F28 VanDerWaalsContact CG1-CZ 3.5Å; F26-F28 VanDerWaalsContact C-N 3.26Å; F26-F28 PolarHBondContact O-N 3.02Å; F28-L34 HydrophobicContact CD1-CB 4.25Å; F28-L34 HydrophobicContact CD1-CD2 4.03Å; F28-L34 HydrophobicContact CD1-CG 3.94Å; F28-L34 HydrophobicContact CE1-CD2 4.25Å; F28-L34 HydrophobicContact CE1-CG 3.98Å; F28-L34 HydrophobicContact CG-CD2 4.48Å; F28-L35 HydrophobicContact CD1-CB 4.1Å; F28-L35 HydrophobicContact CD1-CD1 3.93Å; F28-L35 HydrophobicContact CE1-CD1 4.1Å; F28-H38 HydrophobicContact CE1-CB 3.91Å; F28-H38 HydrophobicContact CZ-CB 4.41Å; F28-H38 AromaticContact CZ-CD2 3.93Å; F28-L51 HydrophobicContact CD2-CD2 4.4Å; F28-L51 HydrophobicContact CE2-CD2 3.66Å; F28-L51 HydrophobicContact CZ-CD1 4.4Å; F28-L51 HydrophobicContact CZ-CD2 4.03Å; F28-F55 HydrophobicContact CB-CE1 4.2Å; F28-F55 HydrophobicContact CB-CZ 3.99Å; F28-F55 AromaticContact CD2-CE1 3.98Å; F28-F55 HydrophobicContact CD2-CE1 3.98Å; F28-F55 AromaticContact CD2-CZ 3.77Å; F28-F55 HydrophobicContact CD2-CZ 3.77Å; F28-F55 HydrophobicContact CE2-CZ 4.42Å; F28-F55 HydrophobicContact CG-CE1 4.35Å; F28-F55 AromaticContact CG-CZ 3.91Å; F28-F55 HydrophobicContact CG-CZ 3.91Å; F28-L85 HydrophobicContact CB-CD1 4.24Å |
| 29 | L | 80.4 | Confident | 76 | Confident | 58 Ų | 58 | 61.8 Ų | 61.8 | 30% | 0.304 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -87 | -23.1 | 171.2 | -69.2 | 176.3 | 0 | 0 | 0 | 112.7 | W25 F26 E27 R78 T81 L82 L85 | W25-L29 HydrophobicContact CE3-CD1 4.33Å; W25-L29 HydrophobicContact CZ3-CD1 3.68Å; F26-L29 WeakPolarHBondContact O-CB 3.46Å; F26-L29 PolarHBondContact O-N 2.67Å; F26-L29 VanDerWaalsContact O-N 3.1Å; E27-L29 PolarHBondContact O-N 3.16Å; L29-R78 HydrophobicContact CD1-CG 4.31Å; L29-T81 HydrophobicContact CD2-CG2 3.59Å; L29-L82 HydrophobicContact CD1-CD2 3.97Å; L29-L82 HydrophobicContact CD1-CG 4.27Å; L29-L82 HydrophobicContact CD2-CD2 3.96Å; L29-L82 HydrophobicContact CD2-CG 4.15Å; L29-L82 HydrophobicContact CG-CD2 4.07Å; L29-L85 HydrophobicContact CD2-CD1 3.77Å; L29-L85 HydrophobicContact CG-CD1 4.44Å |
| 30 | L | 80.4 | Confident | 78 | Confident | 145 Ų | 145 | 62.6 Ų | 62.6 | 76% | 0.759 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -89.5 | -32.9 | -175.9 | -63.5 | 174 | 0 | 0 | 0 | 111.7 | F26 E27 | F26-L30 HydrophobicContact CD2-CD1 4.15Å; F26-L30 PolarHBondContact O-N 2.91Å; E27-L30 PolarHBondContact O-N 3.25Å |
| 31 | D | 78.6 | Confident | 79.6 | Confident | 86 Ų | 86 | 62 Ų | 62 | 46% | 0.46 | 34% | 0.337 | S | S | . | . | trans | -121.2 | 112.2 | 177.4 | -178.9 | -1.1 | 0 | 0 | 0 | 111.4 | E27 G33 L34 | E27-D31 PolarHBondContact O-N 3.49Å; E27-D31 VanDerWaalsContact O-N 3.13Å; D31-G33 VanDerWaalsContact C-N 3.28Å; D31-G33 PolarHBondContact O-N 3.18Å; D31-G33 PolarHBondContact OD1-N 3.4Å; D31-L34 HydrophobicContact CB-CB 3.91Å; D31-L34 WeakPolarHBondContact O-CB 3.39Å; D31-L34 PolarHBondContact O-N 3.2Å | ||
| 32 | G | 69.4 | Low | 80.3 | Confident | 71 Ų | 71 | 60.3 Ų | 60.3 | 73% | 0.732 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -20.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 33 | G | 76.4 | Confident | 80.8 | Confident | 35 Ų | 35 | 60.8 Ų | 60.8 | 36% | 0.361 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -10.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D31 L35 T37 | D31-G33 VanDerWaalsContact C-N 3.28Å; D31-G33 PolarHBondContact O-N 3.18Å; D31-G33 PolarHBondContact OD1-N 3.4Å; G33-L35 VanDerWaalsContact C-N 3.35Å; G33-L35 PolarHBondContact O-N 3.31Å; G33-T37 PolarHBondContact O-N 3.43Å; G33-T37 PolarHBondContact O-OG1 3.06Å; G33-T37 VanDerWaalsContact O-OG1 3.12Å |
| 34 | L | 84.2 | Confident | 81 | Confident | 33 Ų | 33 | 61 Ų | 61 | 17% | 0.173 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67 | -33.9 | -173.8 | -174.7 | 63.4 | 0 | 0 | 0 | 112.9 | V23 E27 F28 D31 T37 H38 | V23-L34 HydrophobicContact CG1-CD2 3.91Å; E27-L34 HydrophobicContact CB-CD2 3.83Å; F28-L34 HydrophobicContact CD1-CB 4.25Å; F28-L34 HydrophobicContact CD1-CD2 4.03Å; F28-L34 HydrophobicContact CD1-CG 3.94Å; F28-L34 HydrophobicContact CE1-CD2 4.25Å; F28-L34 HydrophobicContact CE1-CG 3.98Å; F28-L34 HydrophobicContact CG-CD2 4.48Å; D31-L34 HydrophobicContact CB-CB 3.91Å; D31-L34 WeakPolarHBondContact O-CB 3.39Å; D31-L34 PolarHBondContact O-N 3.2Å; L34-T37 WeakPolarHBondContact CA-OG1 3.46Å; L34-T37 PolarHBondContact O-OG1 3.46Å; L34-T37 VanDerWaalsContact O-OG1 3.06Å; L34-H38 WeakPolarHBondContact O-CB 3.44Å; L34-H38 PolarHBondContact O-N 3.32Å |
| 35 | L | 83.6 | Confident | 80.8 | Confident | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.026 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.2 | -46.3 | -178.6 | -173.8 | 68 | 0 | 0 | 0 | 111.8 | F28 G33 H38 L39 L51 F55 L85 K88 V89 | F28-L35 HydrophobicContact CD1-CB 4.1Å; F28-L35 HydrophobicContact CD1-CD1 3.93Å; F28-L35 HydrophobicContact CE1-CD1 4.1Å; G33-L35 VanDerWaalsContact C-N 3.35Å; G33-L35 PolarHBondContact O-N 3.31Å; L35-H38 PolarHBondContact O-N 3.25Å; L35-L39 HydrophobicContact CD1-CD1 4.15Å; L35-L39 HydrophobicContact CD1-CG 4.39Å; L35-L39 HydrophobicContact CD2-CD1 4.5Å; L35-L39 HydrophobicContact CG-CD1 3.93Å; L35-L39 HydrophobicContact CG-CG 4.49Å; L35-L39 VanDerWaalsContact O-CG 3.28Å; L35-L39 WeakPolarHBondContact O-CG 3.48Å; L35-L39 PolarHBondContact O-N 2.95Å; L35-L51 HydrophobicContact CD1-CD1 4.41Å; L35-F55 HydrophobicContact CD1-CE2 4.21Å; L35-F55 HydrophobicContact CD1-CZ 4.38Å; L35-L85 HydrophobicContact CB-CD2 4.48Å; L35-L85 HydrophobicContact CD2-CD2 3.71Å; L35-K88 HydrophobicContact CD2-CB 3.71Å; L35-K88 HydrophobicContact CD2-CD 4.05Å; L35-V89 HydrophobicContact CD1-CG2 3.81Å; L35-V89 HydrophobicContact CD2-CG2 4.19Å; L35-V89 HydrophobicContact CG-CG2 4.47Å |
| 36 | E | 82.5 | Confident | 81 | Confident | 82 Ų | 82 | 61.7 Ų | 61.7 | 38% | 0.383 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.9 | -44.8 | -178 | -67.4 | -170.1 | 165.3 | 0 | 0 | 111.8 | H38 L39 Q40 L218 | E36-H38 VanDerWaalsContact C-N 3.29Å; E36-H38 PolarHBondContact O-N 3.37Å; E36-L39 PolarHBondContact O-N 3.43Å; E36-Q40 VanDerWaalsContact O-CG 3.3Å; E36-Q40 WeakPolarHBondContact O-CG 3.3Å; E36-Q40 PolarHBondContact O-N 2.97Å; E36-L218 HydrophobicContact CG-CD2 4.11Å |
| 37 | T | 83.3 | Confident | 81.3 | Confident | 83 Ų | 83 | 60.9 Ų | 60.9 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.7 | -32.9 | 176.7 | 54.3 | 0 | 0 | 0 | 0 | 112.1 | G33 L34 | G33-T37 PolarHBondContact O-N 3.43Å; G33-T37 PolarHBondContact O-OG1 3.06Å; G33-T37 VanDerWaalsContact O-OG1 3.12Å; L34-T37 WeakPolarHBondContact CA-OG1 3.46Å; L34-T37 PolarHBondContact O-OG1 3.46Å; L34-T37 VanDerWaalsContact O-OG1 3.06Å |
| 38 | H | 85.9 | Confident | 81.5 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.6 | -47.3 | 175.5 | -174.4 | 72.8 | 0 | 0 | 0 | 112.4 | F28 L34 L35 E36 Q40 K41 D45 P46 | F28-H38 HydrophobicContact CE1-CB 3.91Å; F28-H38 HydrophobicContact CZ-CB 4.41Å; F28-H38 AromaticContact CZ-CD2 3.93Å; L34-H38 WeakPolarHBondContact O-CB 3.44Å; L34-H38 PolarHBondContact O-N 3.32Å; L35-H38 PolarHBondContact O-N 3.25Å; E36-H38 VanDerWaalsContact C-N 3.29Å; E36-H38 PolarHBondContact O-N 3.37Å; H38-Q40 PolarHBondContact O-N 2.99Å; H38-K41 PolarHBondContact ND1-NZ 3Å; H38-K41 WeakPolarHBondContact O-CB 3.38Å; H38-K41 WeakPolarHBondContact O-CG 3.13Å; H38-K41 PolarHBondContact O-N 2.84Å; H38-D45 PolarHBondContact CE1-O 3.36Å; H38-D45 VanDerWaalsContact CE1-O 3.25Å; H38-P46 PolarHBondContact NE2-O 3.25Å |
| 39 | L | 84.9 | Confident | 81.7 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 4% | 0.037 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.5 | -22.2 | -178.6 | -68.2 | 172.4 | 0 | 0 | 0 | 113.4 | L35 E36 K41 P48 L51 V89 H92 | L35-L39 HydrophobicContact CD1-CD1 4.15Å; L35-L39 HydrophobicContact CD1-CG 4.39Å; L35-L39 HydrophobicContact CD2-CD1 4.5Å; L35-L39 HydrophobicContact CG-CD1 3.93Å; L35-L39 HydrophobicContact CG-CG 4.49Å; L35-L39 VanDerWaalsContact O-CG 3.28Å; L35-L39 WeakPolarHBondContact O-CG 3.48Å; L35-L39 PolarHBondContact O-N 2.95Å; E36-L39 PolarHBondContact O-N 3.43Å; L39-K41 VanDerWaalsContact C-N 3.31Å; L39-K41 PolarHBondContact O-N 3.43Å; L39-P48 HydrophobicContact CD2-CB 4.19Å; L39-P48 HydrophobicContact CD2-CG 3.95Å; L39-L51 HydrophobicContact CD2-CD1 4.36Å; L39-V89 HydrophobicContact CD1-CG2 4.27Å; L39-V89 HydrophobicContact CD2-CG1 4.3Å; L39-H92 HydrophobicContact CD1-CB 3.78Å; L39-H92 PolarHBondContact O-NE2 3.33Å |
| 40 | Q | 84.8 | Confident | 81.9 | Confident | 151 Ų | 151 | 63.1 Ų | 63.1 | 71% | 0.706 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -9.4 | 175.2 | -72.6 | 174.2 | 10.9 | 0 | 0 | 114.3 | E36 H38 | E36-Q40 VanDerWaalsContact O-CG 3.3Å; E36-Q40 WeakPolarHBondContact O-CG 3.3Å; E36-Q40 PolarHBondContact O-N 2.97Å; H38-Q40 PolarHBondContact O-N 2.99Å |
| 41 | K | 84.9 | Confident | 82.3 | Confident | 104 Ų | 104 | 56.2 Ų | 56.2 | 45% | 0.452 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -67.2 | 147.9 | 176.7 | -65.5 | 172.7 | -174.9 | 165.3 | 0 | 110.5 | H38 L39 S43 P44 | H38-K41 PolarHBondContact ND1-NZ 3Å; H38-K41 WeakPolarHBondContact O-CB 3.38Å; H38-K41 WeakPolarHBondContact O-CG 3.13Å; H38-K41 PolarHBondContact O-N 2.84Å; L39-K41 VanDerWaalsContact C-N 3.31Å; L39-K41 PolarHBondContact O-N 3.43Å; K41-S43 PolarHBondContact O-N 3.48Å; K41-P44 WeakPolarHBondContact O-CD 3.37Å |
| 42 | A | 73.3 | Confident | 82.8 | Confident | 115 Ų | 115 | 52.1 Ų | 52.1 | 95% | 0.95 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -63.1 | -27.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 43 | S | 76.4 | Confident | 83.6 | Confident | 103 Ų | 103 | 50.5 Ų | 50.5 | 72% | 0.72 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -145 | 80.8 | 176.5 | 59.7 | 0 | 0 | 0 | 0 | 109.9 | K41 D45 | K41-S43 PolarHBondContact O-N 3.48Å; S43-D45 PolarHBondContact O-N 3.06Å |
| 44 | P | 81.6 | Confident | 84.1 | Confident | 26 Ų | 26 | 51.3 Ų | 51.3 | 17% | 0.169 | 29% | 0.294 | C | S | . | . | trans | -67.4 | 130.3 | 179.4 | 28.1 | -33.6 | 0 | 0 | 0 | 110.6 | K41 P46 A47 P48 | K41-P44 WeakPolarHBondContact O-CD 3.37Å; P44-P46 CarbonylContact C-O 3.42Å; P44-P46 CarbonylContact O-C 3.31Å; P44-P46 VanDerWaalsContact O-C 3.31Å; P44-A47 WeakPolarHBondContact O-CA 3.28Å; P44-A47 PolarHBondContact O-N 3.1Å; P44-P48 HydrophobicContact CG-CG 4.24Å | ||
| 45 | D | 77.1 | Confident | 84.4 | Confident | 85 Ų | 85 | 49.8 Ų | 49.8 | 46% | 0.455 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -124.2 | 109.3 | 172 | -178 | 10.4 | 0 | 0 | 0 | 109.3 | Q22 H38 S43 | Q22-D45 PolarHBondContact NE2-OD1 3.07Å; H38-D45 PolarHBondContact CE1-O 3.36Å; H38-D45 VanDerWaalsContact CE1-O 3.25Å; S43-D45 PolarHBondContact O-N 3.06Å |
| 46 | P | 85.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | S | Bend | cis | -71.8 | 151.9 | 9.4 | -14.6 | 28.9 | 0 | 0 | 0 | 113.8 | Q22 V23 H38 P44 Q50 L51 | Q22-P46 HydrophobicContact CG-CG 4.09Å; V23-P46 WeakPolarHBondContact O-CD 3.41Å; H38-P46 PolarHBondContact NE2-O 3.25Å; P44-P46 CarbonylContact C-O 3.42Å; P44-P46 CarbonylContact O-C 3.31Å; P44-P46 VanDerWaalsContact O-C 3.31Å; P46-Q50 HydrophobicContact CB-CB 4.12Å; P46-L51 HydrophobicContact CB-CD2 3.92Å; P46-L51 HydrophobicContact CB-CG 4.1Å; P46-L51 HydrophobicContact CG-CD2 3.93Å |
| 47 | A | 87.2 | Confident | 84.6 | Confident | 35 Ų | 35 | 50.7 Ų | 50.7 | 29% | 0.289 | 29% | 0.29 | S | S | . | . | trans | -68.1 | 157.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P44 V49 Q50 L51 | P44-A47 WeakPolarHBondContact O-CA 3.28Å; P44-A47 PolarHBondContact O-N 3.1Å; A47-V49 VanDerWaalsContact C-N 3.3Å; A47-V49 PolarHBondContact O-N 3.23Å; A47-Q50 HydrophobicContact CB-CG 4.38Å; A47-Q50 WeakPolarHBondContact O-CA 3.4Å; A47-Q50 WeakPolarHBondContact O-CB 3.43Å; A47-Q50 PolarHBondContact O-N 3.21Å; A47-L51 PolarHBondContact O-N 2.96Å | ||
| 48 | P | 86.8 | Confident | 84.6 | Confident | 28 Ų | 28 | 48.5 Ų | 48.5 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.9 | -42.8 | -176.3 | -27.9 | 37.6 | 0 | 0 | 0 | 113.5 | L39 P44 Q50 L51 I52 V89 M93 | L39-P48 HydrophobicContact CD2-CB 4.19Å; L39-P48 HydrophobicContact CD2-CG 3.95Å; P44-P48 HydrophobicContact CG-CG 4.24Å; P48-Q50 PolarHBondContact O-N 2.93Å; P48-L51 PolarHBondContact O-N 2.99Å; P48-I52 WeakPolarHBondContact O-CG1 3.19Å; P48-I52 PolarHBondContact O-N 2.57Å; P48-V89 HydrophobicContact CB-CG1 3.67Å; P48-V89 VanDerWaalsContact O-CG1 3.27Å; P48-V89 WeakPolarHBondContact O-CG1 3.29Å; P48-M93 HydrophobicContact CB-CG 4.03Å; P48-M93 HydrophobicContact CB-SD 3.66Å |
| 49 | V | 87.9 | Confident | 84.5 | Confident | 32 Ų | 32 | 48.5 Ų | 48.5 | 19% | 0.194 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 175.9 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | A47 L51 I52 V53 M93 G103 L104 | A47-V49 VanDerWaalsContact C-N 3.3Å; A47-V49 PolarHBondContact O-N 3.23Å; V49-L51 VanDerWaalsContact C-N 3.34Å; V49-L51 PolarHBondContact O-N 3.41Å; V49-I52 PolarHBondContact O-N 3.5Å; V49-V53 WeakPolarHBondContact O-CG2 3.44Å; V49-V53 PolarHBondContact O-N 3.36Å; V49-V53 VanDerWaalsContact O-N 3.16Å; V49-M93 HydrophobicContact CG2-CE 3.79Å; V49-M93 HydrophobicContact CG2-SD 4.29Å; V49-G103 VanDerWaalsContact CG1-CA 3.48Å; V49-G103 WeakPolarHBondContact CG1-O 3.33Å; V49-L104 HydrophobicContact CG1-CD2 3.55Å; V49-L104 HydrophobicContact CG1-CG 4.02Å; V49-L104 WeakPolarHBondContact O-CD2 3.48Å |
| 50 | Q | 86.6 | Confident | 84.1 | Confident | 99 Ų | 99 | 50.1 Ų | 50.1 | 46% | 0.463 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.4 | -36.7 | 177.3 | -68.3 | 175.3 | -23.3 | 0 | 0 | 111.7 | P46 A47 P48 V53 Q54 | P46-Q50 HydrophobicContact CB-CB 4.12Å; A47-Q50 HydrophobicContact CB-CG 4.38Å; A47-Q50 WeakPolarHBondContact O-CA 3.4Å; A47-Q50 WeakPolarHBondContact O-CB 3.43Å; A47-Q50 PolarHBondContact O-N 3.21Å; P48-Q50 PolarHBondContact O-N 2.93Å; Q50-V53 PolarHBondContact O-N 2.9Å; Q50-Q54 WeakPolarHBondContact O-CB 3.42Å; Q50-Q54 VanDerWaalsContact O-CG 3.29Å; Q50-Q54 WeakPolarHBondContact O-CG 3.18Å; Q50-Q54 PolarHBondContact O-N 2.94Å |
| 51 | L | 88.7 | Confident | 83.6 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 174.6 | -70.8 | 174.8 | 0 | 0 | 0 | 111.8 | F28 L35 L39 P46 A47 P48 V49 V53 Q54 F55 V89 | F28-L51 HydrophobicContact CD2-CD2 4.4Å; F28-L51 HydrophobicContact CE2-CD2 3.66Å; F28-L51 HydrophobicContact CZ-CD1 4.4Å; F28-L51 HydrophobicContact CZ-CD2 4.03Å; L35-L51 HydrophobicContact CD1-CD1 4.41Å; L39-L51 HydrophobicContact CD2-CD1 4.36Å; P46-L51 HydrophobicContact CB-CD2 3.92Å; P46-L51 HydrophobicContact CB-CG 4.1Å; P46-L51 HydrophobicContact CG-CD2 3.93Å; A47-L51 PolarHBondContact O-N 2.96Å; P48-L51 PolarHBondContact O-N 2.99Å; V49-L51 VanDerWaalsContact C-N 3.34Å; V49-L51 PolarHBondContact O-N 3.41Å; L51-V53 PolarHBondContact O-N 3.15Å; L51-Q54 PolarHBondContact O-N 3.22Å; L51-F55 HydrophobicContact CB-CD2 4.35Å; L51-F55 HydrophobicContact CB-CE2 3.95Å; L51-F55 HydrophobicContact CB-CZ 4.43Å; L51-F55 HydrophobicContact CD2-CE2 4.47Å; L51-F55 HydrophobicContact CD2-CZ 4.12Å; L51-F55 WeakPolarHBondContact O-CB 3.29Å; L51-F55 WeakPolarHBondContact O-CD2 3.48Å; L51-F55 WeakPolarHBondContact O-CG 3.49Å; L51-F55 PolarHBondContact O-N 3.14Å; L51-V89 HydrophobicContact CB-CG2 4.3Å |
| 52 | I | 88.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 174.9 | -67.7 | 168.8 | 0 | 0 | 0 | 110.5 | P48 V49 F55 L56 V89 A90 M93 L100 L104 V108 L112 | P48-I52 WeakPolarHBondContact O-CG1 3.19Å; P48-I52 PolarHBondContact O-N 2.57Å; V49-I52 PolarHBondContact O-N 3.5Å; I52-F55 PolarHBondContact O-N 3.04Å; I52-L56 HydrophobicContact CG2-CD1 3.71Å; I52-L56 HydrophobicContact CG2-CG 4.4Å; I52-L56 WeakPolarHBondContact O-CB 3.46Å; I52-L56 WeakPolarHBondContact O-CG 3.16Å; I52-L56 PolarHBondContact O-N 3.2Å; I52-V89 HydrophobicContact CD1-CB 4.37Å; I52-V89 HydrophobicContact CD1-CG1 3.97Å; I52-V89 HydrophobicContact CG1-CB 3.88Å; I52-V89 HydrophobicContact CG1-CG1 3.71Å; I52-A90 HydrophobicContact CD1-CB 4.36Å; I52-M93 HydrophobicContact CD1-SD 4.06Å; I52-L100 HydrophobicContact CD1-CD2 3.93Å; I52-L104 HydrophobicContact CB-CD1 4.48Å; I52-L104 HydrophobicContact CB-CD2 4.23Å; I52-L104 HydrophobicContact CD1-CD1 4.32Å; I52-L104 HydrophobicContact CG2-CD1 3.82Å; I52-L104 HydrophobicContact CG2-CD2 4.06Å; I52-V108 HydrophobicContact CG2-CG1 4.3Å; I52-L112 HydrophobicContact CD1-CD2 4.44Å; I52-L112 HydrophobicContact CG2-CD1 4.41Å; I52-L112 HydrophobicContact CG2-CD2 4.27Å |
| 53 | V | 86.4 | Confident | 82.3 | Confident | 36 Ų | 36 | 43.7 Ų | 43.7 | 22% | 0.218 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.7 | -51.8 | 176.6 | 176 | 0 | 0 | 0 | 0 | 110.4 | V49 Q50 L51 F55 L56 E57 L104 V108 | V49-V53 WeakPolarHBondContact O-CG2 3.44Å; V49-V53 PolarHBondContact O-N 3.36Å; V49-V53 VanDerWaalsContact O-N 3.16Å; Q50-V53 PolarHBondContact O-N 2.9Å; L51-V53 PolarHBondContact O-N 3.15Å; V53-F55 PolarHBondContact O-N 3.24Å; V53-L56 PolarHBondContact O-N 3.03Å; V53-E57 VanDerWaalsContact CG1-CD 3.49Å; V53-E57 HydrophobicContact CG1-CG 4.01Å; V53-E57 VanDerWaalsContact CG1-OE1 3.25Å; V53-E57 WeakPolarHBondContact CG1-OE1 3.35Å; V53-E57 VanDerWaalsContact O-CB 3.25Å; V53-E57 WeakPolarHBondContact O-CB 3.3Å; V53-E57 VanDerWaalsContact O-CG 3.27Å; V53-E57 WeakPolarHBondContact O-CG 3.42Å; V53-E57 PolarHBondContact O-N 3.09Å; V53-L104 HydrophobicContact CG2-CD2 3.46Å; V53-L104 VanDerWaalsContact CG2-CD2 3.46Å; V53-V108 HydrophobicContact CG2-CG1 4.4Å |
| 54 | Q | 87 | Confident | 81.9 | Confident | 53 Ų | 53 | 43 Ų | 43 | 25% | 0.248 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -44.9 | -178.9 | -72.9 | 177.7 | 6.1 | 0 | 0 | 112.4 | W25 Q50 L51 Q58 | W25-Q54 HydrophobicContact CB-CB 4.38Å; Q50-Q54 WeakPolarHBondContact O-CB 3.42Å; Q50-Q54 VanDerWaalsContact O-CG 3.29Å; Q50-Q54 WeakPolarHBondContact O-CG 3.18Å; Q50-Q54 PolarHBondContact O-N 2.94Å; L51-Q54 PolarHBondContact O-N 3.22Å; Q54-Q58 WeakPolarHBondContact O-CB 3.08Å; Q54-Q58 WeakPolarHBondContact O-CG 3.43Å; Q54-Q58 PolarHBondContact O-N 3.19Å; Q54-Q58 VanDerWaalsContact O-N 3.12Å |
| 55 | F | 89.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.2 | -43.8 | -179.8 | -65.3 | -33 | 0 | 0 | 0 | 112.2 | W25 F28 L35 L51 I52 V53 A59 L82 L85 A86 V89 | W25-F55 HydrophobicContact CB-CD1 4.36Å; W25-F55 HydrophobicContact CB-CE1 4.15Å; F28-F55 HydrophobicContact CB-CE1 4.2Å; F28-F55 HydrophobicContact CB-CZ 3.99Å; F28-F55 AromaticContact CD2-CE1 3.98Å; F28-F55 HydrophobicContact CD2-CE1 3.98Å; F28-F55 AromaticContact CD2-CZ 3.77Å; F28-F55 HydrophobicContact CD2-CZ 3.77Å; F28-F55 HydrophobicContact CE2-CZ 4.42Å; F28-F55 HydrophobicContact CG-CE1 4.35Å; F28-F55 AromaticContact CG-CZ 3.91Å; F28-F55 HydrophobicContact CG-CZ 3.91Å; L35-F55 HydrophobicContact CD1-CE2 4.21Å; L35-F55 HydrophobicContact CD1-CZ 4.38Å; L51-F55 HydrophobicContact CB-CD2 4.35Å; L51-F55 HydrophobicContact CB-CE2 3.95Å; L51-F55 HydrophobicContact CB-CZ 4.43Å; L51-F55 HydrophobicContact CD2-CE2 4.47Å; L51-F55 HydrophobicContact CD2-CZ 4.12Å; L51-F55 WeakPolarHBondContact O-CB 3.29Å; L51-F55 WeakPolarHBondContact O-CD2 3.48Å; L51-F55 WeakPolarHBondContact O-CG 3.49Å; L51-F55 PolarHBondContact O-N 3.14Å; I52-F55 PolarHBondContact O-N 3.04Å; V53-F55 PolarHBondContact O-N 3.24Å; F55-A59 VanDerWaalsContact O-CB 3.29Å; F55-A59 WeakPolarHBondContact O-CB 3.47Å; F55-A59 PolarHBondContact O-N 2.95Å; F55-L82 HydrophobicContact CD1-CD2 3.84Å; F55-L85 HydrophobicContact CD2-CB 3.83Å; F55-L85 HydrophobicContact CE1-CD1 4.38Å; F55-L85 HydrophobicContact CE2-CB 3.82Å; F55-L85 HydrophobicContact CG-CB 4.29Å; F55-L85 HydrophobicContact CZ-CB 4.27Å; F55-L85 HydrophobicContact CZ-CD1 4.41Å; F55-A86 HydrophobicContact CB-CB 4.08Å; F55-A86 HydrophobicContact CD2-CB 4.5Å; F55-V89 HydrophobicContact CD2-CG2 4.43Å; F55-V89 HydrophobicContact CE2-CG2 3.98Å |
| 56 | L | 86.3 | Confident | 80.7 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.4 | -40.5 | -179.2 | -68 | 177.5 | 0 | 0 | 0 | 112.5 | I52 V53 Q58 A59 S60 K83 A86 V108 M111 L112 | I52-L56 HydrophobicContact CG2-CD1 3.71Å; I52-L56 HydrophobicContact CG2-CG 4.4Å; I52-L56 WeakPolarHBondContact O-CB 3.46Å; I52-L56 WeakPolarHBondContact O-CG 3.16Å; I52-L56 PolarHBondContact O-N 3.2Å; V53-L56 PolarHBondContact O-N 3.03Å; L56-Q58 VanDerWaalsContact C-N 3.32Å; L56-Q58 PolarHBondContact O-N 3.46Å; L56-A59 PolarHBondContact O-N 3.37Å; L56-S60 WeakPolarHBondContact O-CB 3.39Å; L56-S60 PolarHBondContact O-N 2.83Å; L56-S60 PolarHBondContact O-OG 2.98Å; L56-S60 VanDerWaalsContact O-OG 3.09Å; L56-K83 HydrophobicContact CD2-CG 4.47Å; L56-A86 HydrophobicContact CD1-CB 4.43Å; L56-A86 HydrophobicContact CD2-CB 3.83Å; L56-A86 HydrophobicContact CG-CB 3.83Å; L56-V108 HydrophobicContact CD1-CG1 3.9Å; L56-M111 HydrophobicContact CB-CE 4.46Å; L56-M111 HydrophobicContact CD1-CB 4.42Å; L56-L112 HydrophobicContact CD1-CB 3.92Å; L56-L112 HydrophobicContact CD1-CD1 4.26Å |
| 57 | E | 83.6 | Confident | 79.8 | Confident | 103 Ų | 103 | 56.1 Ų | 56.1 | 48% | 0.481 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 173.4 | -77 | -178.8 | 173.6 | 0 | 0 | 111.1 | V53 S60 K61 | V53-E57 VanDerWaalsContact CG1-CD 3.49Å; V53-E57 HydrophobicContact CG1-CG 4.01Å; V53-E57 VanDerWaalsContact CG1-OE1 3.25Å; V53-E57 WeakPolarHBondContact CG1-OE1 3.35Å; V53-E57 VanDerWaalsContact O-CB 3.25Å; V53-E57 WeakPolarHBondContact O-CB 3.3Å; V53-E57 VanDerWaalsContact O-CG 3.27Å; V53-E57 WeakPolarHBondContact O-CG 3.42Å; V53-E57 PolarHBondContact O-N 3.09Å; E57-S60 PolarHBondContact O-N 3.07Å; E57-K61 WeakPolarHBondContact O-CG 3.4Å; E57-K61 PolarHBondContact O-N 3.17Å; E57-K61 VanDerWaalsContact O-N 3.08Å |
| 58 | Q | 84.4 | Confident | 78.6 | Confident | 36 Ų | 36 | 61.2 Ų | 61.2 | 17% | 0.168 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.3 | -31.6 | 179.7 | -63.2 | -70.9 | -10.9 | 0 | 0 | 112.6 | W25 Q54 L56 L82 | W25-Q58 HydrophobicContact CD2-CG 4.09Å; W25-Q58 HydrophobicContact CE3-CG 4.44Å; W25-Q58 HydrophobicContact CG-CG 4.47Å; W25-Q58 HydrophobicContact CZ2-CG 4.48Å; Q54-Q58 WeakPolarHBondContact O-CB 3.08Å; Q54-Q58 WeakPolarHBondContact O-CG 3.43Å; Q54-Q58 PolarHBondContact O-N 3.19Å; Q54-Q58 VanDerWaalsContact O-N 3.12Å; L56-Q58 VanDerWaalsContact C-N 3.32Å; L56-Q58 PolarHBondContact O-N 3.46Å; Q58-L82 HydrophobicContact CB-CD1 4.1Å |
| 59 | A | 82.9 | Confident | 77.2 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 2% | 0.017 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -74.3 | -30.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | F55 L56 N79 L82 K83 | F55-A59 VanDerWaalsContact O-CB 3.29Å; F55-A59 WeakPolarHBondContact O-CB 3.47Å; F55-A59 PolarHBondContact O-N 2.95Å; L56-A59 PolarHBondContact O-N 3.37Å; A59-N79 HydrophobicContact CB-CB 4.44Å; A59-N79 PolarHBondContact O-ND2 3.18Å; A59-L82 HydrophobicContact CB-CB 3.97Å; A59-L82 HydrophobicContact CB-CD1 4.41Å; A59-K83 HydrophobicContact CB-CG 4.05Å |
| 60 | S | 76.3 | Confident | 76.1 | Confident | 40 Ų | 40 | 69 Ų | 69 | 28% | 0.28 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -99.9 | 5.4 | -175.5 | -60.3 | 0 | 0 | 0 | 0 | 113.9 | L56 E57 P62 M111 | L56-S60 WeakPolarHBondContact O-CB 3.39Å; L56-S60 PolarHBondContact O-N 2.83Å; L56-S60 PolarHBondContact O-OG 2.98Å; L56-S60 VanDerWaalsContact O-OG 3.09Å; E57-S60 PolarHBondContact O-N 3.07Å; S60-P62 WeakPolarHBondContact O-CD 3.34Å; S60-M111 PolarHBondContact OG-SD 3.2Å |
| 61 | K | 75.8 | Confident | 74.9 | Confident | 112 Ų | 112 | 68.9 Ų | 68.9 | 49% | 0.487 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 119.6 | 176 | -96.8 | 170.9 | -170.1 | -177.7 | 0 | 110.5 | E57 | E57-K61 WeakPolarHBondContact O-CG 3.4Å; E57-K61 PolarHBondContact O-N 3.17Å; E57-K61 VanDerWaalsContact O-N 3.08Å |
| 62 | P | 67.4 | Low | 73.7 | Confident | 76 Ų | 76 | 74 Ų | 74 | 49% | 0.494 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 137.7 | 176.5 | 22.6 | -29.3 | 0 | 0 | 0 | 110.7 | S60 V70 | S60-P62 WeakPolarHBondContact O-CD 3.34Å; P62-V70 HydrophobicContact CB-CG1 3.72Å; P62-V70 HydrophobicContact CG-CG1 4.42Å |
| 63 | S | 62.7 | Low | 72.9 | Confident | 47 Ų | 47 | 77 Ų | 77 | 33% | 0.329 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 137 | 171.4 | 47.8 | 0 | 0 | 0 | 0 | 110 | Q71 | S63-Q71 PolarHBondContact N-O 2.87Å; S63-Q71 PolarHBondContact O-N 3.33Å |
| 64 | V | 68.8 | Low | 72 | Confident | 88 Ų | 88 | 77.6 Ų | 77.6 | 53% | 0.533 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 126.6 | 175.4 | -172.1 | 0 | 0 | 0 | 0 | 107.8 | N68 | V64-N68 VanDerWaalsContact CG1-CA 3.45Å; V64-N68 HydrophobicContact CG1-CB 4.36Å |
| 65 | N | 68.3 | Low | 71.3 | Confident | 34 Ų | 34 | 80.2 Ų | 80.2 | 18% | 0.182 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 170.6 | 175.8 | 75.7 | -0.2 | 0 | 0 | 0 | 111.4 | Q67 N68 Q69 Q71 | N65-Q67 PolarHBondContact O-N 3.46Å; N65-Q67 VanDerWaalsContact OD1-C 3.23Å; N65-Q67 WeakPolarHBondContact OD1-CA 3.33Å; N65-Q67 WeakPolarHBondContact OD1-CB 3.03Å; N65-Q67 PolarHBondContact OD1-N 2.98Å; N65-N68 PolarHBondContact O-N 3.25Å; N65-N68 PolarHBondContact OD1-N 2.62Å; N65-N68 VanDerWaalsContact OD1-N 3.16Å; N65-Q69 PolarHBondContact N-O 3.26Å; N65-Q69 WeakPolarHBondContact OD1-CA 3.27Å; N65-Q69 WeakPolarHBondContact OD1-CB 3.46Å; N65-Q69 PolarHBondContact OD1-N 3.23Å; N65-Q69 PolarHBondContact OD1-O 3.05Å; N65-Q71 HydrophobicContact CB-CG 4.43Å |
| 66 | E | 65.6 | Low | 70.8 | Confident | 208 Ų | 208 | 83.2 Ų | 83.2 | 97% | 0.972 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -12.4 | 178.2 | -64.8 | -176.5 | 167.2 | 0 | 0 | 113.9 | ||
| 67 | Q | 65.5 | Low | 70.4 | Confident | 146 Ų | 146 | 93.2 Ų | 93.2 | 68% | 0.682 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 15.2 | 177.6 | -63.2 | 171.7 | -10.1 | 0 | 0 | 113.1 | N65 Q69 | N65-Q67 PolarHBondContact O-N 3.46Å; N65-Q67 VanDerWaalsContact OD1-C 3.23Å; N65-Q67 WeakPolarHBondContact OD1-CA 3.33Å; N65-Q67 WeakPolarHBondContact OD1-CB 3.03Å; N65-Q67 PolarHBondContact OD1-N 2.98Å; Q67-Q69 PolarHBondContact O-N 3.26Å |
| 68 | N | 62.6 | Low | 70.5 | Confident | 141 Ų | 141 | 93.8 Ų | 93.8 | 75% | 0.754 | 49% | 0.486 | S | S | * | . | S | Bend | trans | 60.9 | 19.4 | -177.8 | -74.9 | -25.7 | 0 | 0 | 0 | 115.9 | V64 N65 | V64-N68 VanDerWaalsContact CG1-CA 3.45Å; V64-N68 HydrophobicContact CG1-CB 4.36Å; N65-N68 PolarHBondContact O-N 3.25Å; N65-N68 PolarHBondContact OD1-N 2.62Å; N65-N68 VanDerWaalsContact OD1-N 3.16Å |
| 69 | Q | 57.3 | Low | 70.4 | Confident | 114 Ų | 114 | 92.8 Ų | 92.8 | 53% | 0.533 | 48% | 0.482 | S | S | . | . | trans | -87.4 | 133.6 | 173.1 | -58.7 | 176.8 | -1.3 | 0 | 0 | 110.7 | N65 Q67 Q71 | N65-Q69 PolarHBondContact N-O 3.26Å; N65-Q69 WeakPolarHBondContact OD1-CA 3.27Å; N65-Q69 WeakPolarHBondContact OD1-CB 3.46Å; N65-Q69 PolarHBondContact OD1-N 3.23Å; N65-Q69 PolarHBondContact OD1-O 3.05Å; Q67-Q69 PolarHBondContact O-N 3.26Å; Q69-Q71 PolarHBondContact O-N 3.47Å | ||
| 70 | V | 63.8 | Low | 70.3 | Confident | 111 Ų | 111 | 99.5 Ų | 99.5 | 67% | 0.673 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 114.4 | 176.4 | 177.4 | 0 | 0 | 0 | 0 | 109 | P62 | P62-V70 HydrophobicContact CB-CG1 3.72Å; P62-V70 HydrophobicContact CG-CG1 4.42Å |
| 71 | Q | 61.2 | Low | 70.7 | Confident | 95 Ų | 95 | 100.1 Ų | 100.1 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 147.7 | 172.3 | -69.4 | -173.7 | -9.1 | 0 | 0 | 110.6 | S63 N65 Q69 | S63-Q71 PolarHBondContact N-O 2.87Å; S63-Q71 PolarHBondContact O-N 3.33Å; N65-Q71 HydrophobicContact CB-CG 4.43Å; Q69-Q71 PolarHBondContact O-N 3.47Å |
| 72 | P | 63.9 | Low | 71.2 | Confident | 109 Ų | 109 | 94.8 Ų | 94.8 | 71% | 0.708 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -58 | 152.7 | 173.4 | 25.3 | -33.4 | 0 | 0 | 0 | 110.7 | A74 | P72-A74 PolarHBondContact O-N 3Š|
| 73 | P | 70.6 | Confident | 72.1 | Confident | 61 Ų | 61 | 93.8 Ų | 93.8 | 40% | 0.396 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 129.3 | -177.2 | -21.5 | 31.4 | 0 | 0 | 0 | 111.3 | D75 | P73-D75 PolarHBondContact O-N 3.3Š|
| 74 | A | 68.7 | Low | 73.3 | Confident | 50 Ų | 50 | 93.2 Ų | 93.2 | 41% | 0.413 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 128.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P72 N76 N79 | P72-A74 PolarHBondContact O-N 3Å; A74-N76 PolarHBondContact O-N 3.3Å; A74-N79 PolarHBondContact O-ND2 3.17Å |
| 75 | D | 71.3 | Confident | 74.2 | Confident | 107 Ų | 107 | 89.6 Ų | 89.6 | 57% | 0.572 | 45% | 0.445 | S | S | * | . | trans | -78.7 | 73.5 | 174.6 | -175 | 22.4 | 0 | 0 | 0 | 110.9 | P73 R80 | P73-D75 PolarHBondContact O-N 3.3Å; D75-R80 VanDerWaalsContact OD1-CG 3.29Å; D75-R80 WeakPolarHBondContact OD1-CG 3.37Å; D75-R80 IonicContact OD1-CZ 3.48Å; D75-R80 IonicContact OD1-NE 2.77Å; D75-R80 PolarHBondContact OD1-NE 3.11Å; D75-R80 IonicContact OD1-NH2 3.25Å; D75-R80 IonicContact OD2-CZ 2.92Å; D75-R80 IonicContact OD2-NE 3.09Å; D75-R80 PolarHBondContact OD2-NE 3.16Å; D75-R80 IonicContact OD2-NH2 2.83Å; D75-R80 PolarHBondContact OD2-NH2 3.02Å | ||
| 76 | N | 80 | Confident | 75.1 | Confident | 63 Ų | 63 | 88 Ų | 88 | 34% | 0.337 | 44% | 0.436 | S | S | . | . | trans | -104 | 164.1 | -179.7 | 64.6 | 33.9 | 0 | 0 | 0 | 111.7 | A74 R78 N79 R80 | A74-N76 PolarHBondContact O-N 3.3Å; N76-R78 PolarHBondContact O-N 2.92Å; N76-R78 VanDerWaalsContact O-N 3.15Å; N76-R78 WeakPolarHBondContact OD1-CB 3.44Å; N76-R78 PolarHBondContact OD1-N 3.46Å; N76-N79 PolarHBondContact O-N 3.07Å; N76-N79 VanDerWaalsContact O-N 3.07Å; N76-N79 WeakPolarHBondContact OD1-CB 3.38Å; N76-N79 VanDerWaalsContact OD1-CG 3.26Å; N76-N79 PolarHBondContact OD1-N 3.3Å; N76-R80 PolarHBondContact O-N 3.38Å | ||
| 77 | R | 78.6 | Confident | 76.3 | Confident | 215 Ų | 215 | 78.1 Ų | 78.1 | 81% | 0.811 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -52 | -40.4 | 179.8 | -172.7 | 178.1 | -179.2 | -179.1 | 2.1 | 112.2 | R80 T81 | R77-R80 PolarHBondContact O-N 3.24Å; R77-T81 PolarHBondContact O-N 3.32Å; R77-T81 PolarHBondContact O-OG1 3.5Å |
| 78 | R | 83.8 | Confident | 77.4 | Confident | 114 Ų | 114 | 72 Ų | 72 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.4 | -49.9 | 177.6 | 174.2 | -173.4 | 167.2 | -157.4 | -8.2 | 111.9 | L29 N76 T81 L82 | L29-R78 HydrophobicContact CD1-CG 4.31Å; N76-R78 PolarHBondContact O-N 2.92Å; N76-R78 VanDerWaalsContact O-N 3.15Å; N76-R78 WeakPolarHBondContact OD1-CB 3.44Å; N76-R78 PolarHBondContact OD1-N 3.46Å; R78-T81 PolarHBondContact O-N 3.28Å; R78-L82 HydrophobicContact CG-CD1 4.14Å; R78-L82 WeakPolarHBondContact O-CG 3.36Å; R78-L82 PolarHBondContact O-N 3.48Å |
| 79 | N | 82.6 | Confident | 78.6 | Confident | 15 Ų | 15 | 65.3 Ų | 65.3 | 8% | 0.08 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.5 | -37.2 | -177.1 | -72.4 | -7.2 | 0 | 0 | 0 | 111.4 | A59 A74 N76 L82 K83 | A59-N79 HydrophobicContact CB-CB 4.44Å; A59-N79 PolarHBondContact O-ND2 3.18Å; A74-N79 PolarHBondContact O-ND2 3.17Å; N76-N79 PolarHBondContact O-N 3.07Å; N76-N79 VanDerWaalsContact O-N 3.07Å; N76-N79 WeakPolarHBondContact OD1-CB 3.38Å; N76-N79 VanDerWaalsContact OD1-CG 3.26Å; N76-N79 PolarHBondContact OD1-N 3.3Å; N79-L82 PolarHBondContact O-N 3Å; N79-K83 WeakPolarHBondContact O-CB 3.46Å; N79-K83 WeakPolarHBondContact O-CD 3.5Å; N79-K83 WeakPolarHBondContact O-CG 3.47Å; N79-K83 PolarHBondContact O-N 3.36Å |
| 80 | R | 81.9 | Confident | 80.1 | Confident | 143 Ų | 143 | 59.9 Ų | 59.9 | 54% | 0.54 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 171.4 | -66.6 | -179.8 | -176.3 | 178.7 | -0.7 | 112 | D75 N76 R77 K83 L84 | D75-R80 VanDerWaalsContact OD1-CG 3.29Å; D75-R80 WeakPolarHBondContact OD1-CG 3.37Å; D75-R80 IonicContact OD1-CZ 3.48Å; D75-R80 IonicContact OD1-NE 2.77Å; D75-R80 PolarHBondContact OD1-NE 3.11Å; D75-R80 IonicContact OD1-NH2 3.25Å; D75-R80 IonicContact OD2-CZ 2.92Å; D75-R80 IonicContact OD2-NE 3.09Å; D75-R80 PolarHBondContact OD2-NE 3.16Å; D75-R80 IonicContact OD2-NH2 2.83Å; D75-R80 PolarHBondContact OD2-NH2 3.02Å; N76-R80 PolarHBondContact O-N 3.38Å; R77-R80 PolarHBondContact O-N 3.24Å; R80-K83 PolarHBondContact O-N 3.28Å; R80-L84 WeakPolarHBondContact O-CB 3.43Å; R80-L84 PolarHBondContact O-N 3.03Å |
| 81 | T | 83.4 | Confident | 81.2 | Confident | 54 Ų | 54 | 55 Ų | 55 | 33% | 0.331 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 176.4 | -54.3 | 0 | 0 | 0 | 0 | 112 | L29 R77 R78 L84 L85 | L29-T81 HydrophobicContact CD2-CG2 3.59Å; R77-T81 PolarHBondContact O-N 3.32Å; R77-T81 PolarHBondContact O-OG1 3.5Å; R78-T81 PolarHBondContact O-N 3.28Å; T81-L84 PolarHBondContact O-N 2.99Å; T81-L85 HydrophobicContact CG2-CD1 4.41Å; T81-L85 VanDerWaalsContact O-CG 3.3Å; T81-L85 WeakPolarHBondContact O-CG 3.43Å; T81-L85 PolarHBondContact O-N 3.49Å |
| 82 | L | 86.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 176.4 | -74.3 | 170.8 | 0 | 0 | 0 | 112.5 | W25 L29 F55 Q58 A59 R78 N79 L85 A86 | W25-L82 HydrophobicContact CE3-CD2 3.88Å; W25-L82 HydrophobicContact CZ3-CD1 4.26Å; W25-L82 HydrophobicContact CZ3-CD2 4.06Å; L29-L82 HydrophobicContact CD1-CD2 3.97Å; L29-L82 HydrophobicContact CD1-CG 4.27Å; L29-L82 HydrophobicContact CD2-CD2 3.96Å; L29-L82 HydrophobicContact CD2-CG 4.15Å; L29-L82 HydrophobicContact CG-CD2 4.07Å; F55-L82 HydrophobicContact CD1-CD2 3.84Å; Q58-L82 HydrophobicContact CB-CD1 4.1Å; A59-L82 HydrophobicContact CB-CB 3.97Å; A59-L82 HydrophobicContact CB-CD1 4.41Å; R78-L82 HydrophobicContact CG-CD1 4.14Å; R78-L82 WeakPolarHBondContact O-CG 3.36Å; R78-L82 PolarHBondContact O-N 3.48Å; N79-L82 PolarHBondContact O-N 3Å; L82-L85 PolarHBondContact O-N 2.86Å; L82-A86 PolarHBondContact O-N 3.27Å |
| 83 | K | 87.3 | Confident | 83.5 | Confident | 55 Ų | 55 | 50.5 Ų | 50.5 | 24% | 0.239 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59 | -45.2 | 173.2 | -79.4 | 166.1 | 161.1 | -143.4 | 0 | 112 | L56 A59 N79 R80 L85 A86 L87 E115 | L56-K83 HydrophobicContact CD2-CG 4.47Å; A59-K83 HydrophobicContact CB-CG 4.05Å; N79-K83 WeakPolarHBondContact O-CB 3.46Å; N79-K83 WeakPolarHBondContact O-CD 3.5Å; N79-K83 WeakPolarHBondContact O-CG 3.47Å; N79-K83 PolarHBondContact O-N 3.36Å; R80-K83 PolarHBondContact O-N 3.28Å; K83-L85 PolarHBondContact O-N 3.19Å; K83-A86 WeakPolarHBondContact O-CB 3.45Å; K83-A86 PolarHBondContact O-N 3.47Å; K83-L87 WeakPolarHBondContact O-CG 3.39Å; K83-L87 PolarHBondContact O-N 2.97Å; K83-E115 HydrophobicContact CB-CG 3.94Å; K83-E115 HydrophobicContact CD-CG 4.42Å; K83-E115 VanDerWaalsContact CD-OE2 3.29Å; K83-E115 WeakPolarHBondContact CD-OE2 3.32Å; K83-E115 VanDerWaalsContact CE-OE2 3.32Å; K83-E115 WeakPolarHBondContact CE-OE2 3.29Å; K83-E115 HydrophobicContact CG-CG 4.28Å; K83-E115 IonicContact NZ-OE2 3.36Å; K83-E115 PolarHBondContact NZ-OE2 3.35Å |
| 84 | L | 86.4 | Confident | 84.3 | Confident | 34 Ų | 34 | 52.2 Ų | 52.2 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -40.5 | 175.5 | -175.3 | 64.5 | 0 | 0 | 0 | 112.2 | R80 T81 A86 L87 K88 L221 | R80-L84 WeakPolarHBondContact O-CB 3.43Å; R80-L84 PolarHBondContact O-N 3.03Å; T81-L84 PolarHBondContact O-N 2.99Å; L84-A86 VanDerWaalsContact C-N 3.34Å; L84-A86 PolarHBondContact O-N 2.9Å; L84-L87 PolarHBondContact O-N 3.5Å; L84-K88 WeakPolarHBondContact O-CG 3.34Å; L84-K88 PolarHBondContact O-N 2.78Å; L84-L221 HydrophobicContact CD1-CB 4.14Å |
| 85 | L | 87.9 | Confident | 85.1 | Confident | 13 Ų | 13 | 50 Ų | 50 | 7% | 0.068 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.8 | -40.3 | 174.1 | -69.8 | 169.9 | 0 | 0 | 0 | 111.5 | F28 L29 L35 F55 T81 L82 K83 K88 V89 | F28-L85 HydrophobicContact CB-CD1 4.24Å; L29-L85 HydrophobicContact CD2-CD1 3.77Å; L29-L85 HydrophobicContact CG-CD1 4.44Å; L35-L85 HydrophobicContact CB-CD2 4.48Å; L35-L85 HydrophobicContact CD2-CD2 3.71Å; F55-L85 HydrophobicContact CD2-CB 3.83Å; F55-L85 HydrophobicContact CE1-CD1 4.38Å; F55-L85 HydrophobicContact CE2-CB 3.82Å; F55-L85 HydrophobicContact CG-CB 4.29Å; F55-L85 HydrophobicContact CZ-CB 4.27Å; F55-L85 HydrophobicContact CZ-CD1 4.41Å; T81-L85 HydrophobicContact CG2-CD1 4.41Å; T81-L85 VanDerWaalsContact O-CG 3.3Å; T81-L85 WeakPolarHBondContact O-CG 3.43Å; T81-L85 PolarHBondContact O-N 3.49Å; L82-L85 PolarHBondContact O-N 2.86Å; K83-L85 PolarHBondContact O-N 3.19Å; L85-K88 WeakPolarHBondContact O-CB 3.04Å; L85-K88 PolarHBondContact O-N 2.83Å; L85-V89 WeakPolarHBondContact O-CG2 3.48Å; L85-V89 PolarHBondContact O-N 3.41Å |
| 86 | A | 88.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -43.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F55 L56 L82 K83 L84 K88 V89 A90 L112 | F55-A86 HydrophobicContact CB-CB 4.08Å; F55-A86 HydrophobicContact CD2-CB 4.5Å; L56-A86 HydrophobicContact CD1-CB 4.43Å; L56-A86 HydrophobicContact CD2-CB 3.83Å; L56-A86 HydrophobicContact CG-CB 3.83Å; L82-A86 PolarHBondContact O-N 3.27Å; K83-A86 WeakPolarHBondContact O-CB 3.45Å; K83-A86 PolarHBondContact O-N 3.47Å; L84-A86 VanDerWaalsContact C-N 3.34Å; L84-A86 PolarHBondContact O-N 2.9Å; A86-K88 VanDerWaalsContact C-N 3.33Å; A86-K88 PolarHBondContact O-N 3.3Å; A86-V89 PolarHBondContact O-N 3.12Å; A86-A90 PolarHBondContact O-N 3.39Å; A86-L112 HydrophobicContact CB-CD1 4.13Å |
| 87 | L | 89.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.1 | -37.8 | 174.8 | -63.3 | 175.6 | 0 | 0 | 0 | 112.1 | K83 L84 A90 A91 W95 L112 E115 L116 V119 L221 | K83-L87 WeakPolarHBondContact O-CG 3.39Å; K83-L87 PolarHBondContact O-N 2.97Å; L84-L87 PolarHBondContact O-N 3.5Å; L87-A90 PolarHBondContact O-N 2.99Å; L87-A91 WeakPolarHBondContact O-CB 3.33Å; L87-A91 PolarHBondContact O-N 2.97Å; L87-W95 HydrophobicContact CB-CH2 4.42Å; L87-W95 HydrophobicContact CD2-CH2 3.69Å; L87-W95 HydrophobicContact CD2-CZ3 4.45Å; L87-L112 HydrophobicContact CD2-CD1 3.92Å; L87-E115 HydrophobicContact CD1-CG 3.99Å; L87-E115 HydrophobicContact CD2-CB 4.26Å; L87-E115 HydrophobicContact CD2-CG 4.37Å; L87-E115 HydrophobicContact CG-CG 4.3Å; L87-L116 HydrophobicContact CD2-CB 4.06Å; L87-V119 HydrophobicContact CD1-CB 4.06Å; L87-V119 HydrophobicContact CD1-CG1 4.41Å; L87-V119 HydrophobicContact CD1-CG2 3.58Å; L87-L221 HydrophobicContact CB-CD1 3.91Å; L87-L221 HydrophobicContact CB-CD2 4.41Å; L87-L221 HydrophobicContact CD1-CD2 4.47Å; L87-L221 WeakPolarHBondContact O-CD1 3.25Å |
| 88 | K | 88.3 | Confident | 86.6 | Confident | 18 Ų | 18 | 35.1 Ų | 35.1 | 8% | 0.078 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.6 | -40.9 | 175.3 | -78.5 | -178.3 | 176.8 | -161 | 0 | 112.5 | L35 L84 L85 A86 A91 H92 L218 L221 D222 | L35-K88 HydrophobicContact CD2-CB 3.71Å; L35-K88 HydrophobicContact CD2-CD 4.05Å; L84-K88 WeakPolarHBondContact O-CG 3.34Å; L84-K88 PolarHBondContact O-N 2.78Å; L85-K88 WeakPolarHBondContact O-CB 3.04Å; L85-K88 PolarHBondContact O-N 2.83Å; A86-K88 VanDerWaalsContact C-N 3.33Å; A86-K88 PolarHBondContact O-N 3.3Å; K88-A91 PolarHBondContact O-N 3.38Å; K88-H92 PolarHBondContact O-N 3.05Å; K88-L218 HydrophobicContact CB-CD2 3.85Å; K88-L218 HydrophobicContact CD-CD2 4.41Å; K88-L218 HydrophobicContact CG-CD2 4.21Å; K88-L221 HydrophobicContact CG-CB 4.29Å; K88-L221 HydrophobicContact CG-CD1 4.19Å; K88-D222 WeakPolarHBondContact CE-OD1 3.27Å; K88-D222 WeakPolarHBondContact CE-OD2 3.25Å; K88-D222 IonicContact NZ-OD1 3.16Å; K88-D222 PolarHBondContact NZ-OD1 3.45Å; K88-D222 IonicContact NZ-OD2 3.97Å; K88-D222 PolarHBondContact NZ-OD2 3.18Å |
| 89 | V | 89.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.6 | -43 | 174.2 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | L35 L39 P48 L51 I52 F55 L85 A86 A91 H92 M93 | L35-V89 HydrophobicContact CD1-CG2 3.81Å; L35-V89 HydrophobicContact CD2-CG2 4.19Å; L35-V89 HydrophobicContact CG-CG2 4.47Å; L39-V89 HydrophobicContact CD1-CG2 4.27Å; L39-V89 HydrophobicContact CD2-CG1 4.3Å; P48-V89 HydrophobicContact CB-CG1 3.67Å; P48-V89 VanDerWaalsContact O-CG1 3.27Å; P48-V89 WeakPolarHBondContact O-CG1 3.29Å; L51-V89 HydrophobicContact CB-CG2 4.3Å; I52-V89 HydrophobicContact CD1-CB 4.37Å; I52-V89 HydrophobicContact CD1-CG1 3.97Å; I52-V89 HydrophobicContact CG1-CB 3.88Å; I52-V89 HydrophobicContact CG1-CG1 3.71Å; F55-V89 HydrophobicContact CD2-CG2 4.43Å; F55-V89 HydrophobicContact CE2-CG2 3.98Å; L85-V89 WeakPolarHBondContact O-CG2 3.48Å; L85-V89 PolarHBondContact O-N 3.41Å; A86-V89 PolarHBondContact O-N 3.12Å; V89-A91 VanDerWaalsContact C-N 3.34Å; V89-A91 PolarHBondContact O-N 2.95Å; V89-H92 WeakPolarHBondContact O-CB 3.33Å; V89-H92 PolarHBondContact O-N 3.48Å; V89-M93 WeakPolarHBondContact O-CG 3.4Å; V89-M93 PolarHBondContact O-N 3.28Å |
| 90 | A | 88.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.5 | -37.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I52 A86 L87 M93 K94 W95 L112 | I52-A90 HydrophobicContact CD1-CB 4.36Å; A86-A90 PolarHBondContact O-N 3.39Å; L87-A90 PolarHBondContact O-N 2.99Å; A90-M93 CarbonylContact O-C 3.57Å; A90-M93 WeakPolarHBondContact O-CA 3.36Å; A90-M93 WeakPolarHBondContact O-CB 3.46Å; A90-M93 PolarHBondContact O-N 2.99Å; A90-K94 PolarHBondContact O-N 2.77Å; A90-W95 HydrophobicContact CB-CD2 4.45Å; A90-W95 HydrophobicContact CB-CE3 4.11Å; A90-W95 HydrophobicContact CB-CH2 3.92Å; A90-W95 HydrophobicContact CB-CZ2 4.31Å; A90-W95 HydrophobicContact CB-CZ3 3.81Å; A90-W95 PolarHBondContact O-N 3.48Å; A90-L112 HydrophobicContact CB-CD1 4.23Å; A90-L112 HydrophobicContact CB-CD2 3.89Å; A90-L112 HydrophobicContact CB-CG 4.47Å |
| 91 | A | 87.8 | Confident | 87.3 | Confident | 10 Ų | 10 | 25.5 Ų | 25.5 | 8% | 0.083 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.5 | -35.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L87 K88 V89 M93 K94 W95 H216 L221 | L87-A91 WeakPolarHBondContact O-CB 3.33Å; L87-A91 PolarHBondContact O-N 2.97Å; K88-A91 PolarHBondContact O-N 3.38Å; V89-A91 VanDerWaalsContact C-N 3.34Å; V89-A91 PolarHBondContact O-N 2.95Å; A91-M93 VanDerWaalsContact C-N 3.32Å; A91-K94 WeakPolarHBondContact O-CA 3.14Å; A91-K94 PolarHBondContact O-N 3.35Å; A91-W95 HydrophobicContact CB-CZ2 4.37Å; A91-H216 WeakPolarHBondContact CB-O 3.39Å; A91-L221 HydrophobicContact CB-CD1 3.73Å |
| 92 | H | 86.8 | Confident | 87.4 | Confident | 73 Ų | 73 | 31.5 Ų | 31.5 | 34% | 0.338 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -63.3 | -39.6 | 170.4 | 179.9 | 79.3 | 0 | 0 | 0 | 111.8 | L39 K88 V89 K94 L218 | L39-H92 HydrophobicContact CD1-CB 3.78Å; L39-H92 PolarHBondContact O-NE2 3.33Å; K88-H92 PolarHBondContact O-N 3.05Å; V89-H92 WeakPolarHBondContact O-CB 3.33Å; V89-H92 PolarHBondContact O-N 3.48Å; H92-K94 PolarHBondContact O-N 2.82Å; H92-K94 VanDerWaalsContact O-N 3.15Å; H92-L218 HydrophobicContact CB-CD1 4.09Å |
| 93 | M | 86.8 | Confident | 87.2 | Confident | 35 Ų | 35 | 33.3 Ų | 33.3 | 17% | 0.172 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 7.7 | 171.8 | -62.6 | 179.7 | 68 | 0 | 0 | 113.3 | P48 V49 I52 V89 A90 A91 W95 D96 L100 | P48-M93 HydrophobicContact CB-CG 4.03Å; P48-M93 HydrophobicContact CB-SD 3.66Å; V49-M93 HydrophobicContact CG2-CE 3.79Å; V49-M93 HydrophobicContact CG2-SD 4.29Å; I52-M93 HydrophobicContact CD1-SD 4.06Å; V89-M93 WeakPolarHBondContact O-CG 3.4Å; V89-M93 PolarHBondContact O-N 3.28Å; A90-M93 CarbonylContact O-C 3.57Å; A90-M93 WeakPolarHBondContact O-CA 3.36Å; A90-M93 WeakPolarHBondContact O-CB 3.46Å; A90-M93 PolarHBondContact O-N 2.99Å; A91-M93 VanDerWaalsContact C-N 3.32Å; M93-W95 PolarHBondContact O-N 3.08Å; M93-W95 VanDerWaalsContact O-N 3.14Å; M93-D96 PolarHBondContact O-N 3.42Å; M93-L100 HydrophobicContact CE-CD2 4.44Å; M93-L100 HydrophobicContact SD-CD2 4.41Å |
| 94 | K | 85.7 | Confident | 87.2 | Confident | 98 Ų | 98 | 31.2 Ų | 31.2 | 43% | 0.426 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 28.2 | -180 | -52.5 | 178.2 | 179.5 | 178.9 | 0 | 113.8 | A90 A91 H92 D96 L242 H294 | A90-K94 PolarHBondContact O-N 2.77Å; A91-K94 WeakPolarHBondContact O-CA 3.14Å; A91-K94 PolarHBondContact O-N 3.35Å; H92-K94 PolarHBondContact O-N 2.82Å; H92-K94 VanDerWaalsContact O-N 3.15Å; K94-D96 PolarHBondContact O-N 3.07Å; K94-D96 VanDerWaalsContact O-N 3.11Å; K94-L242 HydrophobicContact CB-CD2 4.5Å; K94-L242 HydrophobicContact CD-CD2 4.48Å; K94-L242 HydrophobicContact CG-CD2 4.4Å; K94-H294 PolarHBondContact O-CE1 3.31Å; K94-H294 PolarHBondContact O-NE2 3Å |
| 95 | W | 87.1 | Confident | 87.3 | Confident | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 30.8 | -178.6 | -55.8 | 85.6 | 0 | 0 | 0 | 114.1 | L87 A90 A91 M93 L97 L113 L116 I146 V215 H216 | L87-W95 HydrophobicContact CB-CH2 4.42Å; L87-W95 HydrophobicContact CD2-CH2 3.69Å; L87-W95 HydrophobicContact CD2-CZ3 4.45Å; A90-W95 HydrophobicContact CB-CD2 4.45Å; A90-W95 HydrophobicContact CB-CE3 4.11Å; A90-W95 HydrophobicContact CB-CH2 3.92Å; A90-W95 HydrophobicContact CB-CZ2 4.31Å; A90-W95 HydrophobicContact CB-CZ3 3.81Å; A90-W95 PolarHBondContact O-N 3.48Å; A91-W95 HydrophobicContact CB-CZ2 4.37Å; M93-W95 PolarHBondContact O-N 3.08Å; M93-W95 VanDerWaalsContact O-N 3.14Å; W95-L97 PolarHBondContact O-N 3.15Å; W95-L113 HydrophobicContact CE3-CD2 4.39Å; W95-L113 HydrophobicContact CZ3-CD2 4.28Å; W95-L116 HydrophobicContact CD2-CD2 4.43Å; W95-L116 HydrophobicContact CE3-CD2 3.87Å; W95-L116 HydrophobicContact CH2-CB 4.03Å; W95-L116 HydrophobicContact CH2-CD1 3.49Å; W95-L116 VanDerWaalsContact CH2-CD1 3.49Å; W95-L116 HydrophobicContact CH2-CD2 3.91Å; W95-L116 HydrophobicContact CH2-CG 3.99Å; W95-L116 HydrophobicContact CZ2-CD1 3.63Å; W95-L116 HydrophobicContact CZ2-CD2 4.43Å; W95-L116 HydrophobicContact CZ3-CB 4.14Å; W95-L116 HydrophobicContact CZ3-CD1 4.11Å; W95-L116 HydrophobicContact CZ3-CD2 3.6Å; W95-L116 HydrophobicContact CZ3-CG 4.14Å; W95-I146 HydrophobicContact CB-CD1 4.11Å; W95-I146 HydrophobicContact CG-CD1 4.26Å; W95-V215 HydrophobicContact CB-CG1 4.35Å; W95-V215 HydrophobicContact CG-CG1 3.78Å; W95-H216 PolarHBondContact NE1-O 3.48Å |
| 96 | D | 87.1 | Confident | 87.3 | Confident | 34 Ų | 34 | 33.6 Ų | 33.6 | 18% | 0.182 | 17% | 0.171 | C | C | . | . | trans | -67.5 | 105.9 | 176 | 175.4 | 21.2 | 0 | 0 | 0 | 110.7 | M93 K94 D98 S99 L100 | M93-D96 PolarHBondContact O-N 3.42Å; K94-D96 PolarHBondContact O-N 3.07Å; K94-D96 VanDerWaalsContact O-N 3.11Å; D96-D98 VanDerWaalsContact C-N 3.26Å; D96-D98 PolarHBondContact O-N 2.94Å; D96-D98 PolarHBondContact OD1-N 2.77Å; D96-S99 PolarHBondContact O-N 2.69Å; D96-S99 VanDerWaalsContact OD2-CB 3.29Å; D96-S99 WeakPolarHBondContact OD2-CB 3.46Å; D96-S99 PolarHBondContact OD2-N 2.84Å; D96-S99 PolarHBondContact OD2-OG 3.24Å; D96-L100 WeakPolarHBondContact O-CG 3.27Å; D96-L100 PolarHBondContact O-N 3.4Å | ||
| 97 | L | 88.3 | Confident | 87.4 | Confident | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61 | -33.7 | -179.9 | -65.1 | -179.5 | 0 | 0 | 0 | 112.1 | W95 S99 L100 E101 I146 R149 W150 | W95-L97 PolarHBondContact O-N 3.15Å; L97-S99 VanDerWaalsContact C-N 3.3Å; L97-S99 PolarHBondContact O-N 2.58Å; L97-L100 HydrophobicContact CD2-CD1 4.49Å; L97-L100 PolarHBondContact O-N 3.06Å; L97-E101 VanDerWaalsContact O-CB 3.26Å; L97-E101 WeakPolarHBondContact O-CB 3.29Å; L97-E101 WeakPolarHBondContact O-CG 3.39Å; L97-E101 PolarHBondContact O-N 2.95Å; L97-I146 HydrophobicContact CD2-CG2 4.12Å; L97-R149 HydrophobicContact CD1-CB 3.87Å; L97-W150 HydrophobicContact CD1-CB 4.26Å; L97-W150 HydrophobicContact CD2-CB 4Å |
| 98 | D | 86.1 | Confident | 87.3 | Confident | 31 Ų | 31 | 34.5 Ų | 34.5 | 17% | 0.166 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.6 | -36.7 | 178.2 | -81.9 | -27.1 | 0 | 0 | 0 | 111.5 | D96 R102 R153 H296 | D96-D98 VanDerWaalsContact C-N 3.26Å; D96-D98 PolarHBondContact O-N 2.94Å; D96-D98 PolarHBondContact OD1-N 2.77Å; D98-R102 WeakPolarHBondContact O-CB 3.15Å; D98-R102 WeakPolarHBondContact O-CG 3.07Å; D98-R102 PolarHBondContact O-N 3.33Å; D98-R102 PolarHBondContact O-NE 3.11Å; D98-R153 IonicContact OD1-CZ 3.01Å; D98-R153 IonicContact OD1-NH2 3.61Å; D98-R153 PolarHBondContact OD1-NH2 3.28Å; D98-H296 IonicContact OD2-CE1 2.67Å; D98-H296 IonicContact OD2-CG 2.57Å; D98-H296 IonicContact OD2-ND1 2.99Å; D98-H296 PolarHBondContact OD2-ND1 2.96Å |
| 99 | S | 86.4 | Confident | 87.4 | Confident | 36 Ų | 36 | 33.7 Ų | 33.7 | 25% | 0.252 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -75.5 | -36.9 | 177.5 | -67.9 | 0 | 0 | 0 | 0 | 112.1 | D96 L97 G103 | D96-S99 PolarHBondContact O-N 2.69Å; D96-S99 VanDerWaalsContact OD2-CB 3.29Å; D96-S99 WeakPolarHBondContact OD2-CB 3.46Å; D96-S99 PolarHBondContact OD2-N 2.84Å; D96-S99 PolarHBondContact OD2-OG 3.24Å; L97-S99 VanDerWaalsContact C-N 3.3Å; L97-S99 PolarHBondContact O-N 2.58Å; S99-G103 PolarHBondContact O-N 2.87Å |
| 100 | L | 88.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70 | -46.4 | 177.1 | -66.4 | 171.7 | 0 | 0 | 0 | 111.9 | I52 M93 D96 L97 R102 G103 L104 L112 | I52-L100 HydrophobicContact CD1-CD2 3.93Å; M93-L100 HydrophobicContact CE-CD2 4.44Å; M93-L100 HydrophobicContact SD-CD2 4.41Å; D96-L100 WeakPolarHBondContact O-CG 3.27Å; D96-L100 PolarHBondContact O-N 3.4Å; L97-L100 HydrophobicContact CD2-CD1 4.49Å; L97-L100 PolarHBondContact O-N 3.06Å; L100-R102 PolarHBondContact O-N 3.46Å; L100-G103 PolarHBondContact O-N 3.36Å; L100-L104 HydrophobicContact CB-CD1 4.38Å; L100-L104 HydrophobicContact CD2-CD1 3.71Å; L100-L104 VanDerWaalsContact O-CB 3.27Å; L100-L104 WeakPolarHBondContact O-CB 3.21Å; L100-L104 PolarHBondContact O-N 3.4Å; L100-L112 HydrophobicContact CD1-CD2 4.4Å; L100-L112 HydrophobicContact CD2-CD2 4.1Å |
| 101 | E | 87 | Confident | 87.5 | Confident | 35 Ų | 35 | 38.1 Ų | 38.1 | 16% | 0.164 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.8 | -31.1 | -178.5 | -69.6 | 167.2 | 164.9 | 0 | 0 | 113 | L97 R153 L157 | L97-E101 VanDerWaalsContact O-CB 3.26Å; L97-E101 WeakPolarHBondContact O-CB 3.29Å; L97-E101 WeakPolarHBondContact O-CG 3.39Å; L97-E101 PolarHBondContact O-N 2.95Å; E101-R153 WeakPolarHBondContact OE1-CB 3.44Å; E101-R153 IonicContact OE1-NE 2.81Å; E101-R153 PolarHBondContact OE1-NE 3.41Å; E101-R153 IonicContact OE2-CZ 3.69Å; E101-R153 IonicContact OE2-NE 2.73Å; E101-R153 PolarHBondContact OE2-NE 2.9Å; E101-R153 VanDerWaalsContact OE2-NE 3.09Å; E101-R153 IonicContact OE2-NH2 3.62Å; E101-R153 PolarHBondContact OE2-NH2 2.97Å; E101-L157 HydrophobicContact CB-CD1 4.41Å; E101-L157 WeakPolarHBondContact OE2-CD1 3.45Å |
| 102 | R | 84.8 | Confident | 87.6 | Confident | 179 Ų | 179 | 37.7 Ų | 37.7 | 68% | 0.675 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -78 | -28.8 | 174 | -76.3 | -178 | -72.4 | 160.3 | -4.7 | 113.3 | D98 L100 | D98-R102 WeakPolarHBondContact O-CB 3.15Å; D98-R102 WeakPolarHBondContact O-CG 3.07Å; D98-R102 PolarHBondContact O-N 3.33Å; D98-R102 PolarHBondContact O-NE 3.11Å; L100-R102 PolarHBondContact O-N 3.46Å |
| 103 | G | 82.7 | Confident | 87.9 | Confident | 38 Ų | 38 | 34.2 Ų | 34.2 | 39% | 0.392 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -95.4 | -29.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V49 S99 L100 | V49-G103 VanDerWaalsContact CG1-CA 3.48Å; V49-G103 WeakPolarHBondContact CG1-O 3.33Å; S99-G103 PolarHBondContact O-N 2.87Å; L100-G103 PolarHBondContact O-N 3.36Å |
| 104 | L | 88.5 | Confident | 88 | Confident | 12 Ų | 12 | 35.4 Ų | 35.4 | 6% | 0.063 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -119.7 | 150.4 | -171 | -57.1 | 173 | 0 | 0 | 0 | 111.1 | V49 I52 V53 L100 V108 V109 L112 | V49-L104 HydrophobicContact CG1-CD2 3.55Å; V49-L104 HydrophobicContact CG1-CG 4.02Å; V49-L104 WeakPolarHBondContact O-CD2 3.48Å; I52-L104 HydrophobicContact CB-CD1 4.48Å; I52-L104 HydrophobicContact CB-CD2 4.23Å; I52-L104 HydrophobicContact CD1-CD1 4.32Å; I52-L104 HydrophobicContact CG2-CD1 3.82Å; I52-L104 HydrophobicContact CG2-CD2 4.06Å; V53-L104 HydrophobicContact CG2-CD2 3.46Å; V53-L104 VanDerWaalsContact CG2-CD2 3.46Å; L100-L104 HydrophobicContact CB-CD1 4.38Å; L100-L104 HydrophobicContact CD2-CD1 3.71Å; L100-L104 VanDerWaalsContact O-CB 3.27Å; L100-L104 WeakPolarHBondContact O-CB 3.21Å; L100-L104 PolarHBondContact O-N 3.4Å; L104-V108 HydrophobicContact CB-CB 4.35Å; L104-V108 HydrophobicContact CB-CG1 4.34Å; L104-V108 HydrophobicContact CD1-CG1 4.38Å; L104-V108 HydrophobicContact CD2-CG1 4Å; L104-V108 HydrophobicContact CG-CG1 4.48Å; L104-V109 HydrophobicContact CB-CG2 3.56Å; L104-V109 HydrophobicContact CD1-CG2 4.07Å; L104-V109 HydrophobicContact CG-CG2 4.43Å; L104-L112 HydrophobicContact CD1-CD2 4.44Å |
| 105 | T | 87.4 | Confident | 88.1 | Confident | 61 Ų | 61 | 32.3 Ų | 32.3 | 37% | 0.374 | 17% | 0.17 | S | C | . | . | trans | -75.5 | 153.7 | 172.8 | 66.3 | 0 | 0 | 0 | 0 | 110.9 | P107 V108 V109 E181 | T105-P107 VanDerWaalsContact C-CD 3.44Å; T105-P107 VanDerWaalsContact C-N 3.29Å; T105-V108 PolarHBondContact O-N 3.32Å; T105-V108 WeakPolarHBondContact OG1-CG2 3.38Å; T105-V109 PolarHBondContact O-N 3.03Å; T105-V109 VanDerWaalsContact O-N 3.08Å; T105-E181 WeakPolarHBondContact CB-OE1 3.34Å; T105-E181 VanDerWaalsContact CG2-OE1 3.32Å; T105-E181 WeakPolarHBondContact CG2-OE1 3.33Å; T105-E181 PolarHBondContact OG1-OE1 2.85Å; T105-E181 VanDerWaalsContact OG1-OE1 3.08Å | ||
| 106 | I | 89.2 | Confident | 88.2 | Confident | 35 Ų | 35 | 32.2 Ų | 32.2 | 18% | 0.179 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -49.7 | -44 | -178.4 | -67.7 | 171.4 | 0 | 0 | 0 | 112.4 | V108 V109 N110 W150 T154 M185 I188 L189 | I106-V108 VanDerWaalsContact C-N 3.34Å; I106-V108 PolarHBondContact O-N 3.35Å; I106-V109 PolarHBondContact O-N 3.03Å; I106-N110 WeakPolarHBondContact O-CB 3.39Å; I106-N110 PolarHBondContact O-N 3.42Å; I106-W150 HydrophobicContact CG2-CZ2 4.38Å; I106-T154 HydrophobicContact CD1-CG2 3.78Å; I106-T154 HydrophobicContact CG1-CG2 3.95Å; I106-T154 HydrophobicContact CG2-CG2 4.04Å; I106-M185 HydrophobicContact CB-CG 4.18Å; I106-M185 HydrophobicContact CD1-CG 3.86Å; I106-M185 HydrophobicContact CD1-SD 3.97Å; I106-M185 HydrophobicContact CG2-CG 4.48Å; I106-I188 HydrophobicContact CG2-CB 4.46Å; I106-I188 HydrophobicContact CG2-CG2 3.93Å; I106-L189 HydrophobicContact CD1-CD1 4.34Å; I106-L189 HydrophobicContact CD1-CD2 4.25Å; I106-L189 HydrophobicContact CD1-CG 4.43Å |
| 107 | P | 89 | Confident | 88.2 | Confident | 8 Ų | 8 | 31.3 Ų | 31.3 | 5% | 0.052 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.9 | -38.5 | 175.8 | -24.5 | 35.4 | 0 | 0 | 0 | 114.1 | T105 N110 M111 L184 M185 I188 | T105-P107 VanDerWaalsContact C-CD 3.44Å; T105-P107 VanDerWaalsContact C-N 3.29Å; P107-N110 PolarHBondContact O-N 3.07Å; P107-M111 WeakPolarHBondContact O-CG 3.24Å; P107-M111 PolarHBondContact O-N 2.99Å; P107-L184 HydrophobicContact CB-CD2 3.65Å; P107-L184 HydrophobicContact CB-CG 4.02Å; P107-L184 HydrophobicContact CG-CB 4.48Å; P107-L184 HydrophobicContact CG-CD2 3.98Å; P107-L184 HydrophobicContact CG-CG 3.98Å; P107-M185 HydrophobicContact CG-CB 4.45Å; P107-I188 HydrophobicContact CB-CD1 3.99Å; P107-I188 HydrophobicContact CG-CD1 4.16Å |
| 108 | V | 88.6 | Confident | 88.1 | Confident | 11 Ų | 11 | 35.1 Ų | 35.1 | 7% | 0.067 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.9 | -41.3 | -179.3 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | I52 V53 L56 L104 T105 I106 M111 L112 | I52-V108 HydrophobicContact CG2-CG1 4.3Å; V53-V108 HydrophobicContact CG2-CG1 4.4Å; L56-V108 HydrophobicContact CD1-CG1 3.9Å; L104-V108 HydrophobicContact CB-CB 4.35Å; L104-V108 HydrophobicContact CB-CG1 4.34Å; L104-V108 HydrophobicContact CD1-CG1 4.38Å; L104-V108 HydrophobicContact CD2-CG1 4Å; L104-V108 HydrophobicContact CG-CG1 4.48Å; T105-V108 PolarHBondContact O-N 3.32Å; T105-V108 WeakPolarHBondContact OG1-CG2 3.38Å; I106-V108 VanDerWaalsContact C-N 3.34Å; I106-V108 PolarHBondContact O-N 3.35Å; V108-M111 HydrophobicContact CB-CE 4.33Å; V108-M111 HydrophobicContact CG2-CE 4.03Å; V108-M111 PolarHBondContact O-N 3.42Å; V108-L112 PolarHBondContact O-N 3.17Å |
| 109 | V | 90.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.6 | -40.9 | 174.6 | -172.3 | 0 | 0 | 0 | 0 | 111 | L104 T105 I106 M111 L112 L113 W150 | L104-V109 HydrophobicContact CB-CG2 3.56Å; L104-V109 HydrophobicContact CD1-CG2 4.07Å; L104-V109 HydrophobicContact CG-CG2 4.43Å; T105-V109 PolarHBondContact O-N 3.03Å; T105-V109 VanDerWaalsContact O-N 3.08Å; I106-V109 PolarHBondContact O-N 3.03Å; V109-M111 VanDerWaalsContact C-N 3.34Å; V109-M111 PolarHBondContact O-N 3.37Å; V109-L112 PolarHBondContact O-N 3.35Å; V109-L113 HydrophobicContact CG1-CD1 3.79Å; V109-L113 HydrophobicContact CG1-CG 4.12Å; V109-L113 WeakPolarHBondContact O-CG 3.32Å; V109-L113 PolarHBondContact O-N 3.33Å; V109-W150 HydrophobicContact CB-CZ2 4.29Å; V109-W150 HydrophobicContact CG1-CD2 4.23Å; V109-W150 HydrophobicContact CG1-CG 4.12Å; V109-W150 HydrophobicContact CG1-CZ2 4.34Å |
| 110 | N | 90.8 | Very high | 87.7 | Confident | 29 Ų | 29 | 33.7 Ų | 33.7 | 16% | 0.155 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.4 | -43.7 | 175.1 | -173.3 | 49.9 | 0 | 0 | 0 | 111.6 | I106 P107 N114 W150 I188 | I106-N110 WeakPolarHBondContact O-CB 3.39Å; I106-N110 PolarHBondContact O-N 3.42Å; P107-N110 PolarHBondContact O-N 3.07Å; N110-N114 PolarHBondContact ND2-ND2 3.43Å; N110-N114 WeakPolarHBondContact O-CB 3.45Å; N110-N114 VanDerWaalsContact O-CG 3.31Å; N110-N114 PolarHBondContact O-N 3.29Å; N110-N114 PolarHBondContact O-ND2 2.99Å; N110-N114 PolarHBondContact OD1-ND2 3.25Å; N110-W150 HydrophobicContact CB-CH2 3.52Å; N110-W150 HydrophobicContact CB-CZ2 3.94Å; N110-W150 HydrophobicContact CB-CZ3 4.45Å; N110-W150 WeakPolarHBondContact OD1-CH2 3.28Å; N110-I188 HydrophobicContact CB-CD1 4.07Å; N110-I188 HydrophobicContact CB-CG2 4.32Å |
| 111 | M | 88.4 | Confident | 87.3 | Confident | 64 Ų | 64 | 40.1 Ų | 40.1 | 32% | 0.315 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61 | -46.8 | 175.3 | -74.3 | -172 | -67.2 | 0 | 0 | 111.9 | L56 S60 P107 V108 V109 E115 | L56-M111 HydrophobicContact CB-CE 4.46Å; L56-M111 HydrophobicContact CD1-CB 4.42Å; S60-M111 PolarHBondContact OG-SD 3.2Å; P107-M111 WeakPolarHBondContact O-CG 3.24Å; P107-M111 PolarHBondContact O-N 2.99Å; V108-M111 HydrophobicContact CB-CE 4.33Å; V108-M111 HydrophobicContact CG2-CE 4.03Å; V108-M111 PolarHBondContact O-N 3.42Å; V109-M111 VanDerWaalsContact C-N 3.34Å; V109-M111 PolarHBondContact O-N 3.37Å; M111-E115 PolarHBondContact O-N 3.29Å; M111-E115 VanDerWaalsContact O-N 3.15Å |
| 112 | L | 91 | Very high | 87 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.3 | -46.2 | -179.2 | -177.5 | 67.3 | 0 | 0 | 0 | 112.3 | I52 L56 A86 L87 A90 L100 L104 V108 V109 E115 L116 | I52-L112 HydrophobicContact CD1-CD2 4.44Å; I52-L112 HydrophobicContact CG2-CD1 4.41Å; I52-L112 HydrophobicContact CG2-CD2 4.27Å; L56-L112 HydrophobicContact CD1-CB 3.92Å; L56-L112 HydrophobicContact CD1-CD1 4.26Å; A86-L112 HydrophobicContact CB-CD1 4.13Å; L87-L112 HydrophobicContact CD2-CD1 3.92Å; A90-L112 HydrophobicContact CB-CD1 4.23Å; A90-L112 HydrophobicContact CB-CD2 3.89Å; A90-L112 HydrophobicContact CB-CG 4.47Å; L100-L112 HydrophobicContact CD1-CD2 4.4Å; L100-L112 HydrophobicContact CD2-CD2 4.1Å; L104-L112 HydrophobicContact CD1-CD2 4.44Å; V108-L112 PolarHBondContact O-N 3.17Å; V109-L112 PolarHBondContact O-N 3.35Å; L112-E115 PolarHBondContact O-N 3.47Å; L112-L116 PolarHBondContact O-N 2.87Å |
| 113 | L | 91.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -75.8 | -32.8 | -176.5 | -65.9 | 177.7 | 0 | 0 | 0 | 112.8 | W95 V109 E115 L116 L117 I146 Y147 W150 | W95-L113 HydrophobicContact CE3-CD2 4.39Å; W95-L113 HydrophobicContact CZ3-CD2 4.28Å; V109-L113 HydrophobicContact CG1-CD1 3.79Å; V109-L113 HydrophobicContact CG1-CG 4.12Å; V109-L113 WeakPolarHBondContact O-CG 3.32Å; V109-L113 PolarHBondContact O-N 3.33Å; L113-E115 VanDerWaalsContact C-N 3.28Å; L113-E115 PolarHBondContact O-N 3.08Å; L113-L116 HydrophobicContact CD2-CD2 4.18Å; L113-L116 WeakPolarHBondContact O-CB 3.27Å; L113-L116 PolarHBondContact O-N 3.09Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 2.88Å; L113-I146 HydrophobicContact CD2-CG2 3.83Å; L113-Y147 HydrophobicContact CB-CD2 3.9Å; L113-W150 HydrophobicContact CD1-CB 3.45Å; L113-W150 VanDerWaalsContact CD1-CB 3.45Å; L113-W150 HydrophobicContact CD1-CD2 3.38Å; L113-W150 HydrophobicContact CD1-CE3 3.63Å; L113-W150 HydrophobicContact CD1-CG 3.28Å |
| 114 | N | 89.4 | Confident | 86.5 | Confident | 60 Ų | 60 | 36.9 Ų | 36.9 | 32% | 0.321 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.9 | -39 | 170.8 | -76.1 | -48.3 | 0 | 0 | 0 | 111.1 | N110 L116 L117 C118 | N110-N114 PolarHBondContact ND2-ND2 3.43Å; N110-N114 WeakPolarHBondContact O-CB 3.45Å; N110-N114 VanDerWaalsContact O-CG 3.31Å; N110-N114 PolarHBondContact O-N 3.29Å; N110-N114 PolarHBondContact O-ND2 2.99Å; N110-N114 PolarHBondContact OD1-ND2 3.25Å; N114-L116 VanDerWaalsContact C-N 3.34Å; N114-L116 PolarHBondContact O-N 2.81Å; N114-L117 WeakPolarHBondContact O-CB 3.11Å; N114-L117 PolarHBondContact O-N 2.93Å; N114-C118 PolarHBondContact O-N 3.17Å; N114-C118 PolarHBondContact O-SG 3.28Å |
| 115 | E | 88.6 | Confident | 85.8 | Confident | 33 Ų | 33 | 40.6 Ų | 40.6 | 15% | 0.154 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.7 | -35.9 | 175.2 | -167.4 | 66.3 | -149.3 | 0 | 0 | 112.2 | K83 L87 M111 L112 L113 L117 C118 V119 | K83-E115 HydrophobicContact CB-CG 3.94Å; K83-E115 HydrophobicContact CD-CG 4.42Å; K83-E115 VanDerWaalsContact CD-OE2 3.29Å; K83-E115 WeakPolarHBondContact CD-OE2 3.32Å; K83-E115 VanDerWaalsContact CE-OE2 3.32Å; K83-E115 WeakPolarHBondContact CE-OE2 3.29Å; K83-E115 HydrophobicContact CG-CG 4.28Å; K83-E115 IonicContact NZ-OE2 3.36Å; K83-E115 PolarHBondContact NZ-OE2 3.35Å; L87-E115 HydrophobicContact CD1-CG 3.99Å; L87-E115 HydrophobicContact CD2-CB 4.26Å; L87-E115 HydrophobicContact CD2-CG 4.37Å; L87-E115 HydrophobicContact CG-CG 4.3Å; M111-E115 PolarHBondContact O-N 3.29Å; M111-E115 VanDerWaalsContact O-N 3.15Å; L112-E115 PolarHBondContact O-N 3.47Å; L113-E115 VanDerWaalsContact C-N 3.28Å; L113-E115 PolarHBondContact O-N 3.08Å; E115-L117 VanDerWaalsContact C-N 3.34Å; E115-L117 PolarHBondContact O-N 3.24Å; E115-C118 WeakPolarHBondContact O-CB 3.21Å; E115-C118 PolarHBondContact O-N 3.16Å; E115-V119 WeakPolarHBondContact O-CG2 3.46Å; E115-V119 PolarHBondContact O-N 2.74Å |
| 116 | L | 88.6 | Confident | 85.6 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 171.3 | 175.9 | 64.8 | 0 | 0 | 0 | 112 | L87 W95 L112 L113 N114 C118 S120 A143 I146 | L87-L116 HydrophobicContact CD2-CB 4.06Å; W95-L116 HydrophobicContact CD2-CD2 4.43Å; W95-L116 HydrophobicContact CE3-CD2 3.87Å; W95-L116 HydrophobicContact CH2-CB 4.03Å; W95-L116 HydrophobicContact CH2-CD1 3.49Å; W95-L116 VanDerWaalsContact CH2-CD1 3.49Å; W95-L116 HydrophobicContact CH2-CD2 3.91Å; W95-L116 HydrophobicContact CH2-CG 3.99Å; W95-L116 HydrophobicContact CZ2-CD1 3.63Å; W95-L116 HydrophobicContact CZ2-CD2 4.43Å; W95-L116 HydrophobicContact CZ3-CB 4.14Å; W95-L116 HydrophobicContact CZ3-CD1 4.11Å; W95-L116 HydrophobicContact CZ3-CD2 3.6Å; W95-L116 HydrophobicContact CZ3-CG 4.14Å; L112-L116 PolarHBondContact O-N 2.87Å; L113-L116 HydrophobicContact CD2-CD2 4.18Å; L113-L116 WeakPolarHBondContact O-CB 3.27Å; L113-L116 PolarHBondContact O-N 3.09Å; N114-L116 VanDerWaalsContact C-N 3.34Å; N114-L116 PolarHBondContact O-N 2.81Å; L116-C118 VanDerWaalsContact C-N 3.35Å; L116-S120 VanDerWaalsContact O-CB 3.24Å; L116-S120 WeakPolarHBondContact O-CB 3.29Å; L116-S120 PolarHBondContact O-N 2.91Å; L116-S120 PolarHBondContact O-OG 2.71Å; L116-A143 HydrophobicContact CD1-CB 4.42Å; L116-A143 HydrophobicContact CD2-CB 4.09Å; L116-A143 HydrophobicContact CG-CB 3.91Å; L116-I146 HydrophobicContact CD2-CD1 4.46Å; L116-I146 HydrophobicContact CD2-CG2 4.44Å |
| 117 | L | 87.6 | Confident | 85.4 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.3 | -42 | 176.4 | -65 | 172.9 | 0 | 0 | 0 | 111.1 | L113 N114 E115 S120 K121 V122 A143 V144 Y147 | L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 2.88Å; N114-L117 WeakPolarHBondContact O-CB 3.11Å; N114-L117 PolarHBondContact O-N 2.93Å; E115-L117 VanDerWaalsContact C-N 3.34Å; E115-L117 PolarHBondContact O-N 3.24Å; L117-S120 PolarHBondContact O-N 3.39Å; L117-K121 PolarHBondContact O-N 3.05Å; L117-V122 HydrophobicContact CB-CB 4.41Å; L117-V122 HydrophobicContact CB-CG2 4.24Å; L117-V122 HydrophobicContact CD2-CG2 3.93Å; L117-V122 WeakPolarHBondContact O-CG2 3.37Å; L117-V122 PolarHBondContact O-N 2.95Å; L117-V122 VanDerWaalsContact O-N 3.16Å; L117-A143 HydrophobicContact CD2-CB 4.37Å; L117-V144 HydrophobicContact CD2-CG2 4.25Å; L117-Y147 HydrophobicContact CD1-CD1 4.44Å; L117-Y147 HydrophobicContact CD1-CD2 3.6Å; L117-Y147 HydrophobicContact CD1-CE2 4.05Å; L117-Y147 HydrophobicContact CD1-CG 3.83Å; L117-Y147 HydrophobicContact CG-CD2 4.37Å |
| 118 | C | 85.1 | Confident | 85.3 | Confident | 87 Ų | 87 | 45.6 Ų | 45.6 | 59% | 0.588 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.4 | -50.8 | 176.3 | -68.1 | 0 | 0 | 0 | 0 | 112.2 | N114 E115 L116 S120 K121 | N114-C118 PolarHBondContact O-N 3.17Å; N114-C118 PolarHBondContact O-SG 3.28Å; E115-C118 WeakPolarHBondContact O-CB 3.21Å; E115-C118 PolarHBondContact O-N 3.16Å; L116-C118 VanDerWaalsContact C-N 3.35Å; C118-S120 PolarHBondContact O-N 2.85Å; C118-K121 PolarHBondContact O-N 3.49Å; C118-K121 VanDerWaalsContact O-N 3.08Å |
| 119 | V | 82.2 | Confident | 85.3 | Confident | 32 Ų | 32 | 47.7 Ų | 47.7 | 19% | 0.194 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.4 | -28.8 | -179.9 | 170.6 | 0 | 0 | 0 | 0 | 112 | L87 E115 K121 L221 L224 | L87-V119 HydrophobicContact CD1-CB 4.06Å; L87-V119 HydrophobicContact CD1-CG1 4.41Å; L87-V119 HydrophobicContact CD1-CG2 3.58Å; E115-V119 WeakPolarHBondContact O-CG2 3.46Å; E115-V119 PolarHBondContact O-N 2.74Å; V119-K121 PolarHBondContact O-N 2.79Å; V119-L221 HydrophobicContact CG1-CD2 4.05Å; V119-L224 HydrophobicContact CG1-CB 4.29Å; V119-L224 HydrophobicContact CG1-CD1 3.86Å |
| 120 | S | 81.5 | Confident | 85.1 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 3% | 0.028 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 6.9 | 175.6 | -55.2 | 0 | 0 | 0 | 0 | 114 | L116 L117 C118 V122 T140 A143 H216 | L116-S120 VanDerWaalsContact O-CB 3.24Å; L116-S120 WeakPolarHBondContact O-CB 3.29Å; L116-S120 PolarHBondContact O-N 2.91Å; L116-S120 PolarHBondContact O-OG 2.71Å; L117-S120 PolarHBondContact O-N 3.39Å; C118-S120 PolarHBondContact O-N 2.85Å; S120-V122 VanDerWaalsContact C-N 3.27Å; S120-V122 PolarHBondContact O-N 3.49Å; S120-T140 VanDerWaalsContact O-CG2 3.3Å; S120-T140 WeakPolarHBondContact O-CG2 3.33Å; S120-T140 PolarHBondContact O-OG1 2.63Å; S120-A143 WeakPolarHBondContact OG-CB 3.16Å; S120-H216 PolarHBondContact OG-NE2 3Å |
| 121 | K | 81 | Confident | 84.9 | Confident | 135 Ų | 135 | 53.7 Ų | 53.7 | 59% | 0.587 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 36.5 | -179.7 | -55.2 | -177.7 | -175.4 | 178.4 | 0 | 113.6 | L117 C118 V119 E236 | L117-K121 PolarHBondContact O-N 3.05Å; C118-K121 PolarHBondContact O-N 3.49Å; C118-K121 VanDerWaalsContact O-N 3.08Å; V119-K121 PolarHBondContact O-N 2.79Å; K121-E236 IonicContact NZ-OE1 2.88Å; K121-E236 PolarHBondContact NZ-OE1 3.11Å |
| 122 | V | 81.8 | Confident | 84.7 | Confident | 21 Ų | 21 | 55 Ų | 55 | 13% | 0.127 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 132.7 | 173 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | L117 S120 A124 L131 T140 V144 | L117-V122 HydrophobicContact CB-CB 4.41Å; L117-V122 HydrophobicContact CB-CG2 4.24Å; L117-V122 HydrophobicContact CD2-CG2 3.93Å; L117-V122 WeakPolarHBondContact O-CG2 3.37Å; L117-V122 PolarHBondContact O-N 2.95Å; L117-V122 VanDerWaalsContact O-N 3.16Å; S120-V122 VanDerWaalsContact C-N 3.27Å; S120-V122 PolarHBondContact O-N 3.49Å; V122-A124 PolarHBondContact O-N 3.16Å; V122-A124 VanDerWaalsContact O-N 3.16Å; V122-L131 HydrophobicContact CG1-CD1 4.03Å; V122-T140 HydrophobicContact CG2-CG2 3.77Å; V122-V144 HydrophobicContact CG1-CG2 4.25Å; V122-V144 HydrophobicContact CG2-CG2 3.88Å |
| 123 | P | 79.8 | Confident | 84.4 | Confident | 60 Ų | 60 | 55.5 Ų | 55.5 | 39% | 0.39 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 120.5 | -178.9 | -26.7 | 34.7 | 0 | 0 | 0 | 112.3 | V126 L131 | P123-V126 HydrophobicContact CB-CB 4.33Å; P123-V126 HydrophobicContact CB-CG2 3.98Å; P123-L131 HydrophobicContact CG-CD2 4.18Å |
| 124 | A | 76.1 | Confident | 84 | Confident | 103 Ų | 103 | 57.8 Ų | 57.8 | 85% | 0.851 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 134.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V122 V126 | V122-A124 PolarHBondContact O-N 3.16Å; V122-A124 VanDerWaalsContact O-N 3.16Å; A124-V126 VanDerWaalsContact C-N 3.33Å; A124-V126 PolarHBondContact O-N 3.01Å |
| 125 | G | 74.6 | Confident | 83.7 | Confident | 91 Ų | 91 | 59.9 Ų | 59.9 | 94% | 0.938 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | -2.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 126 | V | 82.6 | Confident | 83.4 | Confident | 57 Ų | 57 | 60 Ų | 60 | 35% | 0.345 | 36% | 0.362 | S | S | . | . | trans | -92.5 | 136 | 174.6 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | P123 A124 E130 L131 | P123-V126 HydrophobicContact CB-CB 4.33Å; P123-V126 HydrophobicContact CB-CG2 3.98Å; A124-V126 VanDerWaalsContact C-N 3.33Å; A124-V126 PolarHBondContact O-N 3.01Å; V126-E130 HydrophobicContact CG1-CB 4.04Å; V126-L131 HydrophobicContact CG1-CD2 3.92Å; V126-L131 HydrophobicContact CG1-CG 4.41Å | ||
| 127 | K | 85.9 | Confident | 83.1 | Confident | 115 Ų | 115 | 62 Ų | 62 | 50% | 0.5 | 38% | 0.375 | S | S | . | . | trans | -68.3 | 140.2 | 175.4 | -68.3 | -174.1 | 171.4 | -163 | 0 | 110.2 | V129 E130 D198 | K127-V129 HydrophobicContact CB-CG1 4.07Å; K127-V129 PolarHBondContact O-N 3.01Å; K127-V129 VanDerWaalsContact O-N 3.1Å; K127-E130 HydrophobicContact CB-CG 4.25Å; K127-E130 WeakPolarHBondContact O-CB 3.43Å; K127-E130 PolarHBondContact O-N 3.35Å; K127-D198 IonicContact NZ-OD2 2.91Å | ||
| 128 | H | 86.8 | Confident | 82.7 | Confident | 36 Ų | 36 | 63.4 Ų | 63.4 | 17% | 0.167 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -57.8 | -29.6 | 180 | -64.9 | 164.8 | 0 | 0 | 0 | 113.7 | E130 L131 V144 Y147 N148 V202 | H128-E130 PolarHBondContact O-N 2.94Å; H128-L131 WeakPolarHBondContact O-CB 3.5Å; H128-L131 PolarHBondContact O-N 2.92Å; H128-V144 HydrophobicContact CB-CG1 4.08Å; H128-Y147 AromaticContact CE1-CD1 3.56Å; H128-Y147 AromaticContact CE1-CE1 3.92Å; H128-Y147 AromaticContact ND1-CD1 3.81Å; H128-N148 PolarHBondContact ND1-ND2 2.85Å; H128-V202 HydrophobicContact CB-CG2 3.92Å |
| 129 | V | 87.9 | Confident | 82.5 | Confident | 55 Ų | 55 | 59.9 Ų | 59.9 | 33% | 0.333 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -68.7 | -20.8 | 178 | 70.4 | 0 | 0 | 0 | 0 | 113.7 | K127 L131 D198 V202 | K127-V129 HydrophobicContact CB-CG1 4.07Å; K127-V129 PolarHBondContact O-N 3.01Å; K127-V129 VanDerWaalsContact O-N 3.1Å; V129-L131 VanDerWaalsContact C-N 3.35Å; V129-D198 HydrophobicContact CB-CB 4.17Å; V129-D198 HydrophobicContact CG1-CB 4.27Å; V129-V202 HydrophobicContact CB-CG2 4.17Å |
| 130 | E | 86.3 | Confident | 82.6 | Confident | 132 Ų | 132 | 59 Ų | 59 | 62% | 0.617 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -86.7 | -9.3 | 178.5 | -63.6 | 170.2 | -175.4 | 0 | 0 | 112.1 | V126 K127 H128 | V126-E130 HydrophobicContact CG1-CB 4.04Å; K127-E130 HydrophobicContact CB-CG 4.25Å; K127-E130 WeakPolarHBondContact O-CB 3.43Å; K127-E130 PolarHBondContact O-N 3.35Å; H128-E130 PolarHBondContact O-N 2.94Å |
| 131 | L | 86.5 | Confident | 82.8 | Confident | 26 Ų | 26 | 58.9 Ų | 58.9 | 14% | 0.136 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -84.9 | 129.6 | 179.1 | -59.5 | 175.1 | 0 | 0 | 0 | 111.1 | V122 P123 V126 H128 V129 L133 L136 V144 | V122-L131 HydrophobicContact CG1-CD1 4.03Å; P123-L131 HydrophobicContact CG-CD2 4.18Å; V126-L131 HydrophobicContact CG1-CD2 3.92Å; V126-L131 HydrophobicContact CG1-CG 4.41Å; H128-L131 WeakPolarHBondContact O-CB 3.5Å; H128-L131 PolarHBondContact O-N 2.92Å; V129-L131 VanDerWaalsContact C-N 3.35Å; L131-L133 PolarHBondContact O-N 3.39Å; L131-L136 HydrophobicContact CB-CD1 4.23Å; L131-L136 HydrophobicContact CD1-CD1 4.45Å; L131-V144 HydrophobicContact CD1-CG2 4.29Å |
| 132 | D | 84.8 | Confident | 83.1 | Confident | 91 Ų | 91 | 52.6 Ų | 52.6 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | trans | -83.1 | 98.2 | 169.8 | -177.5 | -1.1 | 0 | 0 | 0 | 110.8 | S134 T135 L136 | D132-S134 VanDerWaalsContact CG-OG 3.24Å; D132-S134 PolarHBondContact O-N 2.98Å; D132-S134 VanDerWaalsContact OD1-CB 3.28Å; D132-S134 WeakPolarHBondContact OD1-CB 3.44Å; D132-S134 PolarHBondContact OD1-N 2.9Å; D132-S134 PolarHBondContact OD1-OG 3.47Å; D132-S134 PolarHBondContact OD2-OG 3.04Å; D132-S134 VanDerWaalsContact OD2-OG 3.11Å; D132-T135 HydrophobicContact CB-CG2 4.4Å; D132-T135 PolarHBondContact O-N 3.46Å; D132-T135 PolarHBondContact O-OG1 3.05Å; D132-T135 WeakPolarHBondContact OD2-CG2 3.34Å; D132-L136 PolarHBondContact O-N 3Å | ||
| 133 | L | 84.4 | Confident | 83.4 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.052 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -23.6 | 178.4 | -61.5 | 179.3 | 0 | 0 | 0 | 113.9 | L131 T135 L136 V144 I145 V202 A205 A206 L209 | L131-L133 PolarHBondContact O-N 3.39Å; L133-T135 VanDerWaalsContact C-N 3.33Å; L133-L136 HydrophobicContact CD2-CD1 4.29Å; L133-V144 HydrophobicContact CD2-CB 4.3Å; L133-V144 HydrophobicContact CD2-CG1 4Å; L133-I145 HydrophobicContact CD1-CD1 4.48Å; L133-I145 HydrophobicContact CD1-CG1 4.34Å; L133-V202 HydrophobicContact CD1-CG1 4.2Å; L133-A205 HydrophobicContact CD1-CB 4.21Å; L133-A206 HydrophobicContact CD1-CB 4.1Å; L133-L209 HydrophobicContact CB-CD1 3.76Å; L133-L209 HydrophobicContact CD1-CD1 4.36Å |
| 134 | S | 82.3 | Confident | 83.9 | Confident | 48 Ų | 48 | 48.8 Ų | 48.8 | 34% | 0.336 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -22.2 | -178.1 | 78.5 | 0 | 0 | 0 | 0 | 113.9 | D132 K211 | D132-S134 VanDerWaalsContact CG-OG 3.24Å; D132-S134 PolarHBondContact O-N 2.98Å; D132-S134 VanDerWaalsContact OD1-CB 3.28Å; D132-S134 WeakPolarHBondContact OD1-CB 3.44Å; D132-S134 PolarHBondContact OD1-N 2.9Å; D132-S134 PolarHBondContact OD1-OG 3.47Å; D132-S134 PolarHBondContact OD2-OG 3.04Å; D132-S134 VanDerWaalsContact OD2-OG 3.11Å; S134-K211 PolarHBondContact O-NZ 2.91Å |
| 135 | T | 83.1 | Confident | 84.6 | Confident | 104 Ų | 104 | 43.9 Ų | 43.9 | 64% | 0.638 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -17.7 | -177.3 | 63.8 | 0 | 0 | 0 | 0 | 113.5 | D132 L133 | D132-T135 HydrophobicContact CB-CG2 4.4Å; D132-T135 PolarHBondContact O-N 3.46Å; D132-T135 PolarHBondContact O-OG1 3.05Å; D132-T135 WeakPolarHBondContact OD2-CG2 3.34Å; L133-T135 VanDerWaalsContact C-N 3.33Å |
| 136 | L | 82.3 | Confident | 85.3 | Confident | 36 Ų | 36 | 39.9 Ų | 39.9 | 19% | 0.188 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -71.9 | 154.5 | 178.2 | -68.5 | 179 | 0 | 0 | 0 | 112.3 | L131 D132 L133 A141 | L131-L136 HydrophobicContact CB-CD1 4.23Å; L131-L136 HydrophobicContact CD1-CD1 4.45Å; D132-L136 PolarHBondContact O-N 3Å; L133-L136 HydrophobicContact CD2-CD1 4.29Å; L136-A141 HydrophobicContact CB-CB 4.19Å |
| 137 | P | 81.9 | Confident | 85.8 | Confident | 45 Ų | 45 | 37.9 Ų | 37.9 | 29% | 0.292 | 21% | 0.206 | S | C | . | . | trans | -54.6 | 142.1 | 168.2 | -24.3 | 33.7 | 0 | 0 | 0 | 111.4 | T139 T140 A141 | P137-T139 VanDerWaalsContact C-N 3.26Å; P137-T139 PolarHBondContact O-N 3.19Å; P137-T139 VanDerWaalsContact O-N 3.16Å; P137-T140 PolarHBondContact O-N 3.23Å; P137-A141 PolarHBondContact O-N 3.25Å | ||
| 138 | P | 79.3 | Confident | 86.2 | Confident | 43 Ų | 43 | 32.5 Ų | 32.5 | 28% | 0.279 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -56.6 | -35.3 | -174.8 | -26.6 | 33.4 | 0 | 0 | 0 | 114.6 | M142 Y214 | P138-M142 VanDerWaalsContact O-CB 3.3Å; P138-M142 WeakPolarHBondContact O-CB 3.5Å; P138-M142 PolarHBondContact O-N 3.27Å; P138-M142 VanDerWaalsContact O-N 3.09Å; P138-Y214 HydrophobicContact CB-CD2 3.73Å; P138-Y214 HydrophobicContact CG-CD2 4.35Å |
| 139 | T | 81 | Confident | 86.5 | Confident | 14 Ų | 14 | 31.1 Ų | 31.1 | 9% | 0.086 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -73.6 | -37.1 | 177.1 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | P137 M142 A143 Y214 | P137-T139 VanDerWaalsContact C-N 3.26Å; P137-T139 PolarHBondContact O-N 3.19Å; P137-T139 VanDerWaalsContact O-N 3.16Å; T139-M142 PolarHBondContact O-N 3.5Å; T139-A143 PolarHBondContact O-N 3.22Å; T139-Y214 WeakPolarHBondContact CA-O 3.47Å |
| 140 | T | 84.8 | Confident | 86.8 | Confident | 12 Ų | 12 | 28.6 Ų | 28.6 | 7% | 0.074 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69 | -44.8 | 174.3 | -53.4 | 0 | 0 | 0 | 0 | 111.7 | S120 V122 P137 M142 A143 V144 | S120-T140 VanDerWaalsContact O-CG2 3.3Å; S120-T140 WeakPolarHBondContact O-CG2 3.33Å; S120-T140 PolarHBondContact O-OG1 2.63Å; V122-T140 HydrophobicContact CG2-CG2 3.77Å; P137-T140 PolarHBondContact O-N 3.23Å; T140-M142 VanDerWaalsContact C-N 3.28Å; T140-M142 PolarHBondContact O-N 3.15Å; T140-A143 PolarHBondContact O-N 3.03Å; T140-V144 WeakPolarHBondContact O-CG2 3.4Å; T140-V144 PolarHBondContact O-N 3.11Å; T140-V144 VanDerWaalsContact O-N 3.13Å |
| 141 | A | 85.3 | Confident | 87.1 | Confident | 2 Ų | 2 | 22.3 Ų | 22.3 | 2% | 0.017 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.9 | -42.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | L136 P137 V144 I145 F213 | L136-A141 HydrophobicContact CB-CB 4.19Å; P137-A141 PolarHBondContact O-N 3.25Å; A141-V144 PolarHBondContact O-N 2.93Å; A141-I145 WeakPolarHBondContact O-CD1 3.38Å; A141-I145 VanDerWaalsContact O-CG1 3.24Å; A141-I145 WeakPolarHBondContact O-CG1 3.46Å; A141-I145 PolarHBondContact O-N 3.23Å; A141-F213 HydrophobicContact CB-CE1 4.44Å |
| 142 | M | 87.7 | Confident | 87.5 | Confident | 3 Ų | 3 | 21.1 Ų | 21.1 | 2% | 0.015 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.5 | -37.7 | 178.3 | -169.7 | 54.8 | -174.6 | 0 | 0 | 113 | P138 T139 T140 V144 I145 I146 F213 V215 I244 L249 | P138-M142 VanDerWaalsContact O-CB 3.3Å; P138-M142 WeakPolarHBondContact O-CB 3.5Å; P138-M142 PolarHBondContact O-N 3.27Å; P138-M142 VanDerWaalsContact O-N 3.09Å; T139-M142 PolarHBondContact O-N 3.5Å; T140-M142 VanDerWaalsContact C-N 3.28Å; T140-M142 PolarHBondContact O-N 3.15Å; M142-V144 PolarHBondContact O-N 3.06Å; M142-I145 PolarHBondContact O-N 3.5Å; M142-I145 HydrophobicContact SD-CB 4.48Å; M142-I146 HydrophobicContact CE-CD1 4.01Å; M142-I146 HydrophobicContact CE-CG1 3.82Å; M142-I146 HydrophobicContact CG-CD1 4.07Å; M142-I146 HydrophobicContact CG-CG1 4.41Å; M142-I146 VanDerWaalsContact O-CG1 3.28Å; M142-I146 WeakPolarHBondContact O-CG1 3.35Å; M142-I146 PolarHBondContact O-N 3.16Å; M142-I146 HydrophobicContact SD-CG1 4.4Å; M142-F213 HydrophobicContact SD-CB 4.21Å; M142-V215 HydrophobicContact CE-CG2 3.49Å; M142-V215 VanDerWaalsContact CE-CG2 3.49Å; M142-V215 HydrophobicContact CG-CB 4.47Å; M142-V215 HydrophobicContact CG-CG2 3.36Å; M142-V215 HydrophobicContact SD-CG2 4.19Å; M142-I244 HydrophobicContact CE-CD1 3.8Å; M142-L249 HydrophobicContact CE-CD1 3.93Å; M142-L249 HydrophobicContact SD-CD1 4.09Å; M142-L249 HydrophobicContact SD-CD2 4.4Å |
| 143 | A | 88 | Confident | 87.8 | Confident | 2 Ų | 2 | 17.7 Ų | 17.7 | 2% | 0.017 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.4 | -43.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L116 L117 S120 T139 T140 I145 I146 Y147 | L116-A143 HydrophobicContact CD1-CB 4.42Å; L116-A143 HydrophobicContact CD2-CB 4.09Å; L116-A143 HydrophobicContact CG-CB 3.91Å; L117-A143 HydrophobicContact CD2-CB 4.37Å; S120-A143 WeakPolarHBondContact OG-CB 3.16Å; T139-A143 PolarHBondContact O-N 3.22Å; T140-A143 PolarHBondContact O-N 3.03Å; A143-I145 VanDerWaalsContact C-N 3.34Å; A143-I145 PolarHBondContact O-N 2.63Å; A143-I146 PolarHBondContact O-N 3.09Å; A143-Y147 PolarHBondContact O-N 2.74Å; A143-Y147 VanDerWaalsContact O-N 3.07Å |
| 144 | V | 89.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.5 | -41.5 | 174.6 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | L117 V122 H128 L131 L133 T140 A141 M142 N148 V202 | L117-V144 HydrophobicContact CD2-CG2 4.25Å; V122-V144 HydrophobicContact CG1-CG2 4.25Å; V122-V144 HydrophobicContact CG2-CG2 3.88Å; H128-V144 HydrophobicContact CB-CG1 4.08Å; L131-V144 HydrophobicContact CD1-CG2 4.29Å; L133-V144 HydrophobicContact CD2-CB 4.3Å; L133-V144 HydrophobicContact CD2-CG1 4Å; T140-V144 WeakPolarHBondContact O-CG2 3.4Å; T140-V144 PolarHBondContact O-N 3.11Å; T140-V144 VanDerWaalsContact O-N 3.13Å; A141-V144 PolarHBondContact O-N 2.93Å; M142-V144 PolarHBondContact O-N 3.06Å; V144-N148 PolarHBondContact O-N 2.85Å; V144-N148 VanDerWaalsContact O-N 3.11Å; V144-N148 PolarHBondContact O-ND2 3.01Å; V144-V202 HydrophobicContact CG1-CG1 3.98Å |
| 145 | I | 90.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -67.2 | -45.1 | 178.7 | -65.7 | 163.4 | 0 | 0 | 0 | 111.3 | L133 A141 M142 A143 Y147 N148 R149 L203 A206 F213 L249 V253 | L133-I145 HydrophobicContact CD1-CD1 4.48Å; L133-I145 HydrophobicContact CD1-CG1 4.34Å; A141-I145 WeakPolarHBondContact O-CD1 3.38Å; A141-I145 VanDerWaalsContact O-CG1 3.24Å; A141-I145 WeakPolarHBondContact O-CG1 3.46Å; A141-I145 PolarHBondContact O-N 3.23Å; M142-I145 PolarHBondContact O-N 3.5Å; M142-I145 HydrophobicContact SD-CB 4.48Å; A143-I145 VanDerWaalsContact C-N 3.34Å; A143-I145 PolarHBondContact O-N 2.63Å; I145-Y147 VanDerWaalsContact C-N 3.34Å; I145-Y147 PolarHBondContact O-N 3.09Å; I145-N148 PolarHBondContact O-N 3.27Å; I145-R149 HydrophobicContact CG2-CG 4.22Å; I145-R149 WeakPolarHBondContact O-CB 3.2Å; I145-R149 VanDerWaalsContact O-CG 3.28Å; I145-R149 WeakPolarHBondContact O-CG 3.26Å; I145-R149 PolarHBondContact O-N 3.26Å; I145-L203 HydrophobicContact CG2-CD2 4.2Å; I145-A206 HydrophobicContact CD1-CB 3.81Å; I145-A206 HydrophobicContact CG1-CB 3.98Å; I145-F213 HydrophobicContact CD1-CD1 4.31Å; I145-F213 HydrophobicContact CD1-CE1 3.87Å; I145-F213 HydrophobicContact CD1-CZ 4.33Å; I145-L249 HydrophobicContact CD1-CD2 4.12Å; I145-L249 HydrophobicContact CG2-CD1 3.96Å; I145-V253 HydrophobicContact CG2-CG2 4.4Å |
| 146 | I | 90.8 | Very high | 89 | Confident | 6 Ų | 6 | 11 Ų | 11 | 3% | 0.031 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -58.5 | -45.4 | 177.3 | -68.8 | 166.9 | 0 | 0 | 0 | 110.8 | W95 L97 L113 L116 M142 A143 R149 W150 V215 | W95-I146 HydrophobicContact CB-CD1 4.11Å; W95-I146 HydrophobicContact CG-CD1 4.26Å; L97-I146 HydrophobicContact CD2-CG2 4.12Å; L113-I146 HydrophobicContact CD2-CG2 3.83Å; L116-I146 HydrophobicContact CD2-CD1 4.46Å; L116-I146 HydrophobicContact CD2-CG2 4.44Å; M142-I146 HydrophobicContact CE-CD1 4.01Å; M142-I146 HydrophobicContact CE-CG1 3.82Å; M142-I146 HydrophobicContact CG-CD1 4.07Å; M142-I146 HydrophobicContact CG-CG1 4.41Å; M142-I146 VanDerWaalsContact O-CG1 3.28Å; M142-I146 WeakPolarHBondContact O-CG1 3.35Å; M142-I146 PolarHBondContact O-N 3.16Å; M142-I146 HydrophobicContact SD-CG1 4.4Å; A143-I146 PolarHBondContact O-N 3.09Å; I146-R149 PolarHBondContact O-N 3.47Å; I146-W150 PolarHBondContact O-N 2.98Å; I146-V215 HydrophobicContact CD1-CG2 4.32Å |
| 147 | Y | 93.1 | Very high | 89.2 | Confident | 16 Ų | 16 | 11.6 Ų | 11.6 | 6% | 0.063 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.3 | -50 | 177.8 | -178.9 | -87 | 0 | 0 | 0 | 112 | L113 L117 H128 A143 I145 R149 W150 A151 | L113-Y147 HydrophobicContact CB-CD2 3.9Å; L117-Y147 HydrophobicContact CD1-CD1 4.44Å; L117-Y147 HydrophobicContact CD1-CD2 3.6Å; L117-Y147 HydrophobicContact CD1-CE2 4.05Å; L117-Y147 HydrophobicContact CD1-CG 3.83Å; L117-Y147 HydrophobicContact CG-CD2 4.37Å; H128-Y147 AromaticContact CE1-CD1 3.56Å; H128-Y147 AromaticContact CE1-CE1 3.92Å; H128-Y147 AromaticContact ND1-CD1 3.81Å; A143-Y147 PolarHBondContact O-N 2.74Å; A143-Y147 VanDerWaalsContact O-N 3.07Å; I145-Y147 VanDerWaalsContact C-N 3.34Å; I145-Y147 PolarHBondContact O-N 3.09Å; Y147-R149 VanDerWaalsContact C-N 3.33Å; Y147-R149 PolarHBondContact O-N 3.06Å; Y147-W150 HydrophobicContact CD2-CE3 4.31Å; Y147-W150 HydrophobicContact CD2-CZ3 4.44Å; Y147-W150 HydrophobicContact CE2-CE3 4.2Å; Y147-W150 AromaticContact CE2-CZ3 3.88Å; Y147-W150 HydrophobicContact CE2-CZ3 3.88Å; Y147-W150 PolarHBondContact O-N 3.28Å; Y147-A151 WeakPolarHBondContact O-CB 3.3Å; Y147-A151 PolarHBondContact O-N 3.08Å |
| 148 | N | 93.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.011 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -68.6 | -31.7 | -178.1 | -73.8 | -74.2 | 0 | 0 | 0 | 112.3 | H128 V144 I145 I152 S199 V202 L203 | H128-N148 PolarHBondContact ND1-ND2 2.85Å; V144-N148 PolarHBondContact O-N 2.85Å; V144-N148 VanDerWaalsContact O-N 3.11Å; V144-N148 PolarHBondContact O-ND2 3.01Å; I145-N148 PolarHBondContact O-N 3.27Å; N148-I152 WeakPolarHBondContact O-CG1 3.4Å; N148-I152 PolarHBondContact O-N 3.01Å; N148-S199 WeakPolarHBondContact OD1-CA 3.28Å; N148-S199 VanDerWaalsContact OD1-CB 3.31Å; N148-S199 WeakPolarHBondContact OD1-CB 3.38Å; N148-S199 PolarHBondContact OD1-OG 2.98Å; N148-V202 HydrophobicContact CB-CG1 4.39Å; N148-L203 HydrophobicContact CB-CD2 4.12Å; N148-L203 HydrophobicContact CB-CG 4.21Å |
| 149 | R | 93.7 | Very high | 89.8 | Confident | 6 Ų | 6 | 12.5 Ų | 12.5 | 2% | 0.023 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.8 | -50.5 | 170.4 | -74.4 | -177.8 | 62.6 | -149.7 | -15.5 | 111.3 | L97 I145 I146 Y147 A151 I152 R153 L203 Q252 V253 D256 | L97-R149 HydrophobicContact CD1-CB 3.87Å; I145-R149 HydrophobicContact CG2-CG 4.22Å; I145-R149 WeakPolarHBondContact O-CB 3.2Å; I145-R149 VanDerWaalsContact O-CG 3.28Å; I145-R149 WeakPolarHBondContact O-CG 3.26Å; I145-R149 PolarHBondContact O-N 3.26Å; I146-R149 PolarHBondContact O-N 3.47Å; Y147-R149 VanDerWaalsContact C-N 3.33Å; Y147-R149 PolarHBondContact O-N 3.06Å; R149-A151 VanDerWaalsContact C-N 3.33Å; R149-A151 PolarHBondContact O-N 3.48Å; R149-I152 PolarHBondContact O-N 3.24Å; R149-R153 WeakPolarHBondContact O-CB 3.41Å; R149-R153 WeakPolarHBondContact O-CD 3.46Å; R149-R153 WeakPolarHBondContact O-CG 3.24Å; R149-R153 PolarHBondContact O-N 2.74Å; R149-L203 HydrophobicContact CG-CD1 4.39Å; R149-L203 HydrophobicContact CG-CD2 3.55Å; R149-Q252 VanDerWaalsContact CZ-CB 3.47Å; R149-Q252 VanDerWaalsContact CZ-OE1 3.28Å; R149-V253 HydrophobicContact CG-CG2 4.34Å; R149-D256 IonicContact CZ-OD2 3.36Å; R149-D256 IonicContact NE-OD2 3.61Å; R149-D256 PolarHBondContact NE-OD2 2.85Å; R149-D256 IonicContact NH2-OD2 3.68Å; R149-D256 PolarHBondContact NH2-OD2 3.21Å |
| 150 | W | 94 | Very high | 89.8 | Confident | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.008 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.5 | -42.9 | 176 | 166.1 | 73.6 | 0 | 0 | 0 | 112.5 | L97 I106 V109 N110 L113 I146 Y147 I152 R153 T154 I188 L192 | L97-W150 HydrophobicContact CD1-CB 4.26Å; L97-W150 HydrophobicContact CD2-CB 4Å; I106-W150 HydrophobicContact CG2-CZ2 4.38Å; V109-W150 HydrophobicContact CB-CZ2 4.29Å; V109-W150 HydrophobicContact CG1-CD2 4.23Å; V109-W150 HydrophobicContact CG1-CG 4.12Å; V109-W150 HydrophobicContact CG1-CZ2 4.34Å; N110-W150 HydrophobicContact CB-CH2 3.52Å; N110-W150 HydrophobicContact CB-CZ2 3.94Å; N110-W150 HydrophobicContact CB-CZ3 4.45Å; N110-W150 WeakPolarHBondContact OD1-CH2 3.28Å; L113-W150 HydrophobicContact CD1-CB 3.45Å; L113-W150 VanDerWaalsContact CD1-CB 3.45Å; L113-W150 HydrophobicContact CD1-CD2 3.38Å; L113-W150 HydrophobicContact CD1-CE3 3.63Å; L113-W150 HydrophobicContact CD1-CG 3.28Å; I146-W150 PolarHBondContact O-N 2.98Å; Y147-W150 HydrophobicContact CD2-CE3 4.31Å; Y147-W150 HydrophobicContact CD2-CZ3 4.44Å; Y147-W150 HydrophobicContact CE2-CE3 4.2Å; Y147-W150 AromaticContact CE2-CZ3 3.88Å; Y147-W150 HydrophobicContact CE2-CZ3 3.88Å; Y147-W150 PolarHBondContact O-N 3.28Å; W150-I152 PolarHBondContact O-N 3.43Å; W150-R153 PolarHBondContact O-N 3.16Å; W150-T154 VanDerWaalsContact CD1-OG1 3.31Å; W150-T154 PolarHBondContact NE1-OG1 3.08Å; W150-T154 VanDerWaalsContact O-CB 3.25Å; W150-T154 WeakPolarHBondContact O-CB 3.39Å; W150-T154 PolarHBondContact O-N 3.44Å; W150-T154 PolarHBondContact O-OG1 2.92Å; W150-I188 HydrophobicContact CH2-CG2 4.31Å; W150-L192 HydrophobicContact CH2-CD1 3.84Å; W150-L192 HydrophobicContact CH2-CD2 4.22Å; W150-L192 HydrophobicContact CZ2-CD1 4.31Å; W150-L192 HydrophobicContact CZ3-CD1 4.15Å; W150-L192 HydrophobicContact CZ3-CD2 3.83Å |
| 151 | A | 93.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.8 | -50.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y147 R149 I155 L192 | Y147-A151 WeakPolarHBondContact O-CB 3.3Å; Y147-A151 PolarHBondContact O-N 3.08Å; R149-A151 VanDerWaalsContact C-N 3.33Å; R149-A151 PolarHBondContact O-N 3.48Å; A151-I155 WeakPolarHBondContact O-CD1 3.22Å; A151-I155 VanDerWaalsContact O-CG1 3.22Å; A151-I155 WeakPolarHBondContact O-CG1 3.5Å; A151-I155 PolarHBondContact O-N 3.43Å; A151-I155 VanDerWaalsContact O-N 3.16Å; A151-L192 HydrophobicContact CB-CD2 3.8Å |
| 152 | I | 93.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.1 | -45.8 | 178.8 | -67.1 | -60.1 | 0 | 0 | 0 | 111.9 | N148 R149 W150 T154 I155 V156 A196 V200 L203 I260 | N148-I152 WeakPolarHBondContact O-CG1 3.4Å; N148-I152 PolarHBondContact O-N 3.01Å; R149-I152 PolarHBondContact O-N 3.24Å; W150-I152 PolarHBondContact O-N 3.43Å; I152-T154 VanDerWaalsContact C-N 3.35Å; I152-T154 PolarHBondContact O-N 3.31Å; I152-I155 HydrophobicContact CD1-CD1 4.45Å; I152-I155 PolarHBondContact O-N 3.4Å; I152-V156 WeakPolarHBondContact O-CG2 3.37Å; I152-V156 PolarHBondContact O-N 3.35Å; I152-V156 VanDerWaalsContact O-N 3.1Å; I152-A196 HydrophobicContact CD1-CB 4.43Å; I152-V200 HydrophobicContact CD1-CG2 3.86Å; I152-L203 HydrophobicContact CB-CD1 4.46Å; I152-L203 HydrophobicContact CG1-CD1 3.93Å; I152-I260 HydrophobicContact CD1-CG1 4.29Å; I152-I260 HydrophobicContact CG2-CB 3.59Å; I152-I260 HydrophobicContact CG2-CG1 4.16Å; I152-I260 HydrophobicContact CG2-CG2 3.71Å |
| 153 | R | 92.1 | Very high | 88 | Confident | 20 Ų | 20 | 38.4 Ų | 38.4 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 179.2 | -70.9 | 169.5 | 62.1 | 84.2 | 5.6 | 112.2 | D98 E101 R149 W150 I155 V156 L157 D256 | D98-R153 IonicContact OD1-CZ 3.01Å; D98-R153 IonicContact OD1-NH2 3.61Å; D98-R153 PolarHBondContact OD1-NH2 3.28Å; E101-R153 WeakPolarHBondContact OE1-CB 3.44Å; E101-R153 IonicContact OE1-NE 2.81Å; E101-R153 PolarHBondContact OE1-NE 3.41Å; E101-R153 IonicContact OE2-CZ 3.69Å; E101-R153 IonicContact OE2-NE 2.73Å; E101-R153 PolarHBondContact OE2-NE 2.9Å; E101-R153 VanDerWaalsContact OE2-NE 3.09Å; E101-R153 IonicContact OE2-NH2 3.62Å; E101-R153 PolarHBondContact OE2-NH2 2.97Å; R149-R153 WeakPolarHBondContact O-CB 3.41Å; R149-R153 WeakPolarHBondContact O-CD 3.46Å; R149-R153 WeakPolarHBondContact O-CG 3.24Å; R149-R153 PolarHBondContact O-N 2.74Å; W150-R153 PolarHBondContact O-N 3.16Å; R153-I155 VanDerWaalsContact C-N 3.34Å; R153-I155 PolarHBondContact O-N 2.92Å; R153-V156 PolarHBondContact O-N 3.07Å; R153-L157 WeakPolarHBondContact O-CB 3.38Å; R153-L157 VanDerWaalsContact O-CG 3.29Å; R153-L157 WeakPolarHBondContact O-CG 3.23Å; R153-L157 PolarHBondContact O-N 3.45Å; R153-D256 VanDerWaalsContact CD-OD1 3.3Å; R153-D256 WeakPolarHBondContact CD-OD1 3.46Å; R153-D256 HydrophobicContact CG-CB 4.21Å; R153-D256 WeakPolarHBondContact CG-OD1 3.32Å; R153-D256 IonicContact CZ-OD1 2.95Å; R153-D256 IonicContact NE-OD1 2.75Å; R153-D256 IonicContact NH1-OD1 3.79Å; R153-D256 PolarHBondContact NH1-OD1 2.94Å |
| 154 | T | 91.8 | Very high | 86.9 | Confident | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.7 | -40 | 177.5 | -61.3 | 0 | 0 | 0 | 0 | 111.6 | I106 W150 I152 V156 S158 L189 L192 | I106-T154 HydrophobicContact CD1-CG2 3.78Å; I106-T154 HydrophobicContact CG1-CG2 3.95Å; I106-T154 HydrophobicContact CG2-CG2 4.04Å; W150-T154 VanDerWaalsContact CD1-OG1 3.31Å; W150-T154 PolarHBondContact NE1-OG1 3.08Å; W150-T154 VanDerWaalsContact O-CB 3.25Å; W150-T154 WeakPolarHBondContact O-CB 3.39Å; W150-T154 PolarHBondContact O-N 3.44Å; W150-T154 PolarHBondContact O-OG1 2.92Å; I152-T154 VanDerWaalsContact C-N 3.35Å; I152-T154 PolarHBondContact O-N 3.31Å; T154-V156 VanDerWaalsContact C-N 3.35Å; T154-V156 PolarHBondContact O-N 3.34Å; T154-S158 WeakPolarHBondContact O-CB 3.39Å; T154-S158 PolarHBondContact O-N 2.94Å; T154-S158 PolarHBondContact O-OG 3.02Å; T154-L189 HydrophobicContact CG2-CD2 3.74Å; T154-L192 HydrophobicContact CG2-CD1 3.96Å |
| 155 | I | 91.8 | Very high | 85.7 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 174.1 | -66 | 161.4 | 0 | 0 | 0 | 111.2 | A151 I152 R153 S158 L192 K193 A196 I260 | A151-I155 WeakPolarHBondContact O-CD1 3.22Å; A151-I155 VanDerWaalsContact O-CG1 3.22Å; A151-I155 WeakPolarHBondContact O-CG1 3.5Å; A151-I155 PolarHBondContact O-N 3.43Å; A151-I155 VanDerWaalsContact O-N 3.16Å; I152-I155 HydrophobicContact CD1-CD1 4.45Å; I152-I155 PolarHBondContact O-N 3.4Å; R153-I155 VanDerWaalsContact C-N 3.34Å; R153-I155 PolarHBondContact O-N 2.92Å; I155-S158 PolarHBondContact O-OG 3.05Å; I155-L192 HydrophobicContact CD1-CB 4.12Å; I155-L192 VanDerWaalsContact CD1-O 3.32Å; I155-L192 WeakPolarHBondContact CD1-O 3.43Å; I155-L192 HydrophobicContact CG1-CB 4.01Å; I155-K193 HydrophobicContact CG1-CG 4.25Å; I155-K193 HydrophobicContact CG2-CG 4.26Å; I155-A196 HydrophobicContact CD1-CB 3.75Å; I155-I260 HydrophobicContact CB-CD1 4.48Å; I155-I260 HydrophobicContact CG2-CD1 3.88Å |
| 156 | V | 90 | Very high | 84.2 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 5% | 0.048 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.2 | -48 | 178.7 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | I152 R153 T154 S158 S159 F160 A259 I260 | I152-V156 WeakPolarHBondContact O-CG2 3.37Å; I152-V156 PolarHBondContact O-N 3.35Å; I152-V156 VanDerWaalsContact O-N 3.1Å; R153-V156 PolarHBondContact O-N 3.07Å; T154-V156 VanDerWaalsContact C-N 3.35Å; T154-V156 PolarHBondContact O-N 3.34Å; V156-S158 VanDerWaalsContact C-N 3.34Å; V156-S158 PolarHBondContact O-N 3.24Å; V156-S159 WeakPolarHBondContact O-CB 3.3Å; V156-S159 PolarHBondContact O-N 3.04Å; V156-S159 PolarHBondContact O-OG 3.38Å; V156-F160 HydrophobicContact CG1-CE2 4.19Å; V156-A259 HydrophobicContact CG1-CB 4.2Å; V156-A259 HydrophobicContact CG2-CB 4.17Å; V156-I260 HydrophobicContact CG2-CB 4.14Å; V156-I260 HydrophobicContact CG2-CD1 4.02Å |
| 157 | L | 87.7 | Confident | 82.9 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 25% | 0.251 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | -178 | -72.1 | 172.9 | 0 | 0 | 0 | 111.8 | E101 R153 S159 F160 | E101-L157 HydrophobicContact CB-CD1 4.41Å; E101-L157 WeakPolarHBondContact OE2-CD1 3.45Å; R153-L157 WeakPolarHBondContact O-CB 3.38Å; R153-L157 VanDerWaalsContact O-CG 3.29Å; R153-L157 WeakPolarHBondContact O-CG 3.23Å; R153-L157 PolarHBondContact O-N 3.45Å; L157-S159 PolarHBondContact O-N 2.96Å; L157-S159 VanDerWaalsContact O-N 3.13Å; L157-F160 HydrophobicContact CD2-CD2 4.31Å; L157-F160 HydrophobicContact CD2-CE2 4.29Å; L157-F160 PolarHBondContact O-N 3.42Å; L157-F160 VanDerWaalsContact O-N 3.1Å |
| 158 | S | 86.9 | Confident | 81.3 | Confident | 47 Ų | 47 | 69.2 Ų | 69.2 | 33% | 0.329 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -13 | 175.8 | 64.6 | 0 | 0 | 0 | 0 | 114.3 | T154 I155 V156 L189 | T154-S158 WeakPolarHBondContact O-CB 3.39Å; T154-S158 PolarHBondContact O-N 2.94Å; T154-S158 PolarHBondContact O-OG 3.02Å; I155-S158 PolarHBondContact O-OG 3.05Å; V156-S158 VanDerWaalsContact C-N 3.34Å; V156-S158 PolarHBondContact O-N 3.24Å; S158-L189 WeakPolarHBondContact OG-CD2 3.46Å |
| 159 | S | 85.3 | Confident | 79.6 | Confident | 61 Ų | 61 | 75 Ų | 75 | 43% | 0.427 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -12.1 | 175.1 | 78.2 | 0 | 0 | 0 | 0 | 113.7 | V156 L157 | V156-S159 WeakPolarHBondContact O-CB 3.3Å; V156-S159 PolarHBondContact O-N 3.04Å; V156-S159 PolarHBondContact O-OG 3.38Å; L157-S159 PolarHBondContact O-N 2.96Å; L157-S159 VanDerWaalsContact O-N 3.13Å |
| 160 | F | 82.8 | Confident | 77.8 | Confident | 84 Ų | 84 | 82.7 Ų | 82.7 | 37% | 0.368 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -80.5 | 140.8 | 176.8 | -67.4 | -62.1 | 0 | 0 | 0 | 111.9 | V156 L157 E162 Y305 | V156-F160 HydrophobicContact CG1-CE2 4.19Å; L157-F160 HydrophobicContact CD2-CD2 4.31Å; L157-F160 HydrophobicContact CD2-CE2 4.29Å; L157-F160 PolarHBondContact O-N 3.42Å; L157-F160 VanDerWaalsContact O-N 3.1Å; F160-E162 PolarHBondContact O-N 3.15Å; F160-Y305 WeakPolarHBondContact CZ-OH 3.31Å |
| 161 | P | 75.2 | Confident | 75.8 | Confident | 132 Ų | 132 | 88.8 Ų | 88.8 | 86% | 0.857 | 47% | 0.472 | S | S | * | . | trans | -74.9 | 94.8 | 176.9 | 30.3 | -33.4 | 0 | 0 | 0 | 110.5 | ||||
| 162 | E | 74.4 | Confident | 73.8 | Confident | 159 Ų | 159 | 96.7 Ų | 96.7 | 74% | 0.743 | 51% | 0.511 | S | S | * | . | trans | -84.3 | 139.7 | 172 | -67.2 | -169 | 166.8 | 0 | 0 | 111.7 | F160 Q164 | F160-E162 PolarHBondContact O-N 3.15Å; E162-Q164 PolarHBondContact O-N 3.31Å | ||
| 163 | K | 70.3 | Confident | 72 | Confident | 200 Ų | 200 | 103.3 Ų | 103.3 | 87% | 0.87 | 55% | 0.546 | S | S | * | . | trans | -70.3 | 106.4 | 177.7 | -175.2 | -178.9 | 178.4 | -176.1 | 0 | 109.1 | N165 | K163-N165 PolarHBondContact O-N 2.8Š| ||
| 164 | Q | 64.7 | Low | 70.1 | Confident | 153 Ų | 153 | 107.1 Ų | 107.1 | 72% | 0.715 | 57% | 0.566 | S | S | * | * | trans | -63.6 | 133 | 176.7 | -66.4 | -175.7 | -7.6 | 0 | 0 | 111.4 | E162 K166 | E162-Q164 PolarHBondContact O-N 3.31Å; Q164-K166 PolarHBondContact O-N 3.26Å; Q164-K166 VanDerWaalsContact O-N 3.15Å | ||
| 165 | N | 64.9 | Low | 68.5 | Low | 159 Ų | 159 | 111.3 Ų | 111.3 | 85% | 0.85 | 59% | 0.588 | S | S | * | * | trans | -69.5 | 106.1 | 168.1 | -73.8 | -21.9 | 0 | 0 | 0 | 108.3 | K163 P167 | K163-N165 PolarHBondContact O-N 2.8Å; N165-P167 VanDerWaalsContact O-CD 3.22Å; N165-P167 WeakPolarHBondContact O-CD 3.47Å | ||
| 166 | K | 58.8 | Low | 67.1 | Low | 199 Ų | 199 | 114.2 Ų | 114.2 | 87% | 0.865 | 61% | 0.609 | S | S | * | * | trans | -70.9 | 114.6 | 176.8 | -68.4 | -175.6 | 178.3 | -176.7 | 0 | 109.2 | Q164 | Q164-K166 PolarHBondContact O-N 3.26Å; Q164-K166 VanDerWaalsContact O-N 3.15Å | ||
| 167 | P | 62.1 | Low | 65.8 | Low | 102 Ų | 102 | 117.7 Ų | 117.7 | 66% | 0.662 | 63% | 0.63 | S | S | * | * | trans | -66.4 | 141.8 | 175.6 | 26.2 | -31.5 | 0 | 0 | 0 | 110.5 | N165 | N165-P167 VanDerWaalsContact O-CD 3.22Å; N165-P167 WeakPolarHBondContact O-CD 3.47Å | ||
| 168 | G | 60.5 | Low | 64.8 | Low | 57 Ų | 57 | 118.9 Ų | 118.9 | 59% | 0.588 | 64% | 0.639 | S | S | * | * | trans | -70.9 | 160.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | H170 | G168-H170 VanDerWaalsContact C-N 3.28Å; G168-H170 PolarHBondContact O-N 3.03Å | ||
| 169 | P | 57.8 | Low | 64.1 | Low | 124 Ų | 124 | 122 Ų | 122 | 81% | 0.805 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | 10 | -160.6 | 21.4 | -29.8 | 0 | 0 | 0 | 118.4 | ||
| 170 | H | 55.5 | Low | 63.5 | Low | 168 Ų | 168 | 125.6 Ų | 125.6 | 78% | 0.778 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.5 | 30.9 | -163.6 | -76 | 69.7 | 0 | 0 | 0 | 118 | G168 | G168-H170 VanDerWaalsContact C-N 3.28Å; G168-H170 PolarHBondContact O-N 3.03Å |
| 171 | Q | 53.4 | Low | 63 | Low | 130 Ų | 130 | 125.5 Ų | 125.5 | 61% | 0.607 | 66% | 0.659 | S | S | * | * | trans | -136.1 | 82 | 170.6 | -68.7 | -175.5 | -18.9 | 0 | 0 | 112.2 | N173 M174 L175 | Q171-N173 PolarHBondContact O-N 3.5Å; Q171-M174 HydrophobicContact CB-CB 3.88Å; Q171-M174 HydrophobicContact CB-CG 3.95Å; Q171-M174 PolarHBondContact O-N 3.15Å; Q171-L175 PolarHBondContact O-N 3.45Å | ||
| 172 | M | 50.5 | Low | 63.2 | Low | 167 Ų | 167 | 124 Ų | 124 | 82% | 0.823 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -54.1 | -33.3 | 178.7 | -141.3 | 103.5 | 168.2 | 0 | 0 | 112.9 | ||
| 173 | N | 55.3 | Low | 63.6 | Low | 138 Ų | 138 | 121.1 Ų | 121.1 | 74% | 0.738 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -76.2 | -21.8 | 177 | -73.2 | -2.6 | 0 | 0 | 0 | 113.9 | Q171 S176 V177 | Q171-N173 PolarHBondContact O-N 3.5Å; N173-S176 PolarHBondContact O-OG 2.92Å; N173-V177 WeakPolarHBondContact O-CG2 3.45Å |
| 174 | M | 53.6 | Low | 64.2 | Low | 100 Ų | 100 | 115.7 Ų | 115.7 | 49% | 0.493 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -82.6 | -27.6 | 173.7 | -76.1 | -67 | -69.3 | 0 | 0 | 111.6 | Q171 V178 | Q171-M174 HydrophobicContact CB-CB 3.88Å; Q171-M174 HydrophobicContact CB-CG 3.95Å; Q171-M174 PolarHBondContact O-N 3.15Å; M174-V178 VanDerWaalsContact O-CB 3.23Å; M174-V178 WeakPolarHBondContact O-CB 3.43Å; M174-V178 WeakPolarHBondContact O-CG2 3.43Å; M174-V178 PolarHBondContact O-N 3.36Å |
| 175 | L | 57.9 | Low | 65.3 | Low | 94 Ų | 94 | 111.4 Ų | 111.4 | 49% | 0.492 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.6 | -41.1 | 175.9 | -95.9 | 141.7 | 0 | 0 | 0 | 112.3 | Q171 Q179 | Q171-L175 PolarHBondContact O-N 3.45Å; L175-Q179 WeakPolarHBondContact O-CB 3.08Å; L175-Q179 PolarHBondContact O-N 2.93Å |
| 176 | S | 60.9 | Low | 66.3 | Low | 69 Ų | 69 | 108.7 Ų | 108.7 | 48% | 0.483 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.5 | -41.5 | 177.9 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | N173 Q179 Q180 | N173-S176 PolarHBondContact O-OG 2.92Å; S176-Q179 PolarHBondContact O-N 2.88Å; S176-Q180 VanDerWaalsContact O-CB 3.28Å; S176-Q180 WeakPolarHBondContact O-CB 3.28Å; S176-Q180 PolarHBondContact O-N 2.9Å |
| 177 | V | 63.9 | Low | 67.8 | Low | 80 Ų | 80 | 104.2 Ų | 104.2 | 49% | 0.485 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.6 | -44.7 | 178.2 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | N173 Q179 Q180 E181 | N173-V177 WeakPolarHBondContact O-CG2 3.45Å; V177-Q179 VanDerWaalsContact C-N 3.32Å; V177-Q179 PolarHBondContact O-N 3.03Å; V177-Q180 PolarHBondContact O-N 2.93Å; V177-E181 WeakPolarHBondContact O-CB 3.38Å; V177-E181 PolarHBondContact O-N 3.48Å |
| 178 | V | 67.3 | Low | 69.1 | Low | 73 Ų | 73 | 100.1 Ų | 100.1 | 44% | 0.442 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.5 | -36.9 | 176.7 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | M174 K182 | M174-V178 VanDerWaalsContact O-CB 3.23Å; M174-V178 WeakPolarHBondContact O-CB 3.43Å; M174-V178 WeakPolarHBondContact O-CG2 3.43Å; M174-V178 PolarHBondContact O-N 3.36Å; V178-K182 VanDerWaalsContact O-CB 3.3Å; V178-K182 WeakPolarHBondContact O-CB 3.31Å; V178-K182 PolarHBondContact O-N 3.47Å |
| 179 | Q | 70.9 | Confident | 70.5 | Confident | 113 Ų | 113 | 98.3 Ų | 98.3 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.3 | -42 | 176.2 | -175.9 | 162.5 | -9.8 | 0 | 0 | 111.8 | L175 S176 V177 K182 E183 | L175-Q179 WeakPolarHBondContact O-CB 3.08Å; L175-Q179 PolarHBondContact O-N 2.93Å; S176-Q179 PolarHBondContact O-N 2.88Å; V177-Q179 VanDerWaalsContact C-N 3.32Å; V177-Q179 PolarHBondContact O-N 3.03Å; Q179-K182 WeakPolarHBondContact O-CB 3.42Å; Q179-K182 PolarHBondContact O-N 3.1Å; Q179-E183 WeakPolarHBondContact O-CG 3.29Å; Q179-E183 PolarHBondContact O-N 3.5Å |
| 180 | Q | 72.3 | Confident | 72.1 | Confident | 137 Ų | 137 | 94.7 Ų | 94.7 | 64% | 0.64 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.1 | -41.6 | 176.2 | -173.1 | 177.5 | 10 | 0 | 0 | 112.2 | S176 V177 K182 E183 L184 | S176-Q180 VanDerWaalsContact O-CB 3.28Å; S176-Q180 WeakPolarHBondContact O-CB 3.28Å; S176-Q180 PolarHBondContact O-N 2.9Å; V177-Q180 PolarHBondContact O-N 2.93Å; Q180-K182 VanDerWaalsContact C-N 3.31Å; Q180-K182 PolarHBondContact O-N 3.07Å; Q180-E183 PolarHBondContact O-N 3.06Å; Q180-L184 WeakPolarHBondContact O-CB 3.32Å; Q180-L184 PolarHBondContact O-N 3.24Å |
| 181 | E | 73.1 | Confident | 73.8 | Confident | 82 Ų | 82 | 89.8 Ų | 89.8 | 38% | 0.383 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 175.2 | -172.3 | 175.1 | -165.4 | 0 | 0 | 111.5 | T105 V177 L184 M185 | T105-E181 WeakPolarHBondContact CB-OE1 3.34Å; T105-E181 VanDerWaalsContact CG2-OE1 3.32Å; T105-E181 WeakPolarHBondContact CG2-OE1 3.33Å; T105-E181 PolarHBondContact OG1-OE1 2.85Å; T105-E181 VanDerWaalsContact OG1-OE1 3.08Å; V177-E181 WeakPolarHBondContact O-CB 3.38Å; V177-E181 PolarHBondContact O-N 3.48Å; E181-L184 PolarHBondContact O-N 3.37Å; E181-M185 WeakPolarHBondContact O-CB 3.43Å; E181-M185 PolarHBondContact O-N 3.46Å |
| 182 | K | 79.3 | Confident | 75.7 | Confident | 100 Ų | 100 | 83.7 Ų | 83.7 | 44% | 0.435 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.9 | -44.9 | 175.6 | -172.7 | -177.7 | 173.8 | -167.1 | 0 | 112.3 | V178 Q179 Q180 L184 M185 E186 | V178-K182 VanDerWaalsContact O-CB 3.3Å; V178-K182 WeakPolarHBondContact O-CB 3.31Å; V178-K182 PolarHBondContact O-N 3.47Å; Q179-K182 WeakPolarHBondContact O-CB 3.42Å; Q179-K182 PolarHBondContact O-N 3.1Å; Q180-K182 VanDerWaalsContact C-N 3.31Å; Q180-K182 PolarHBondContact O-N 3.07Å; K182-L184 VanDerWaalsContact C-N 3.33Å; K182-L184 PolarHBondContact O-N 3.41Å; K182-M185 HydrophobicContact CG-CE 4.23Å; K182-M185 WeakPolarHBondContact O-CB 3.42Å; K182-M185 PolarHBondContact O-N 3.35Å; K182-E186 WeakPolarHBondContact CE-OE1 3.38Å; K182-E186 IonicContact NZ-OE1 3.74Å; K182-E186 WeakPolarHBondContact O-CG 3.5Å; K182-E186 PolarHBondContact O-N 3.23Å |
| 183 | E | 83.4 | Confident | 77.5 | Confident | 99 Ų | 99 | 81.5 Ų | 81.5 | 46% | 0.463 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 175.3 | -74.8 | 172.2 | -167.4 | 0 | 0 | 111.1 | Q179 Q180 E186 N187 | Q179-E183 WeakPolarHBondContact O-CG 3.29Å; Q179-E183 PolarHBondContact O-N 3.5Å; Q180-E183 PolarHBondContact O-N 3.06Å; E183-E186 PolarHBondContact O-N 3.22Å; E183-N187 WeakPolarHBondContact O-CB 3.43Å; E183-N187 PolarHBondContact O-N 3.08Å; E183-N187 PolarHBondContact O-ND2 3.47Å |
| 184 | L | 83.1 | Confident | 79.2 | Confident | 86 Ų | 86 | 82.4 Ų | 82.4 | 45% | 0.45 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 175.5 | -178.7 | 59.1 | 0 | 0 | 0 | 111.9 | P107 Q180 E181 K182 N187 I188 | P107-L184 HydrophobicContact CB-CD2 3.65Å; P107-L184 HydrophobicContact CB-CG 4.02Å; P107-L184 HydrophobicContact CG-CB 4.48Å; P107-L184 HydrophobicContact CG-CD2 3.98Å; P107-L184 HydrophobicContact CG-CG 3.98Å; Q180-L184 WeakPolarHBondContact O-CB 3.32Å; Q180-L184 PolarHBondContact O-N 3.24Å; E181-L184 PolarHBondContact O-N 3.37Å; K182-L184 VanDerWaalsContact C-N 3.33Å; K182-L184 PolarHBondContact O-N 3.41Å; L184-N187 PolarHBondContact O-N 3.48Å; L184-I188 HydrophobicContact CD1-CD1 4.13Å; L184-I188 HydrophobicContact CD1-CG1 4.45Å; L184-I188 HydrophobicContact CG-CD1 4.07Å; L184-I188 VanDerWaalsContact O-CG1 3.26Å; L184-I188 WeakPolarHBondContact O-CG1 3.3Å; L184-I188 PolarHBondContact O-N 2.91Å |
| 185 | M | 86 | Confident | 81 | Confident | 62 Ų | 62 | 81.1 Ų | 81.1 | 31% | 0.305 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 175.2 | 177.6 | -178.8 | 70.8 | 0 | 0 | 111.8 | I106 P107 E181 K182 I188 L189 | I106-M185 HydrophobicContact CB-CG 4.18Å; I106-M185 HydrophobicContact CD1-CG 3.86Å; I106-M185 HydrophobicContact CD1-SD 3.97Å; I106-M185 HydrophobicContact CG2-CG 4.48Å; P107-M185 HydrophobicContact CG-CB 4.45Å; E181-M185 WeakPolarHBondContact O-CB 3.43Å; E181-M185 PolarHBondContact O-N 3.46Å; K182-M185 HydrophobicContact CG-CE 4.23Å; K182-M185 WeakPolarHBondContact O-CB 3.42Å; K182-M185 PolarHBondContact O-N 3.35Å; M185-I188 PolarHBondContact O-N 2.88Å; M185-L189 HydrophobicContact CG-CD1 4.01Å; M185-L189 WeakPolarHBondContact O-CB 3.36Å; M185-L189 VanDerWaalsContact O-CG 3.3Å; M185-L189 WeakPolarHBondContact O-CG 3.28Å; M185-L189 PolarHBondContact O-N 3.06Å |
| 186 | E | 86.8 | Confident | 82.6 | Confident | 102 Ų | 102 | 77 Ų | 77 | 48% | 0.477 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 179 | -75 | 178.9 | -175.7 | 0 | 0 | 112 | K182 E183 L189 A190 | K182-E186 WeakPolarHBondContact CE-OE1 3.38Å; K182-E186 IonicContact NZ-OE1 3.74Å; K182-E186 WeakPolarHBondContact O-CG 3.5Å; K182-E186 PolarHBondContact O-N 3.23Å; E183-E186 PolarHBondContact O-N 3.22Å; E186-L189 PolarHBondContact O-N 2.94Å; E186-A190 WeakPolarHBondContact O-CB 3.48Å; E186-A190 PolarHBondContact O-N 3.32Å |
| 187 | N | 89.5 | Confident | 84 | Confident | 106 Ų | 106 | 76.7 Ų | 76.7 | 57% | 0.567 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.7 | -45.5 | 175.3 | -72.3 | -27.4 | 0 | 0 | 0 | 111.9 | E183 L184 A190 V191 | E183-N187 WeakPolarHBondContact O-CB 3.43Å; E183-N187 PolarHBondContact O-N 3.08Å; E183-N187 PolarHBondContact O-ND2 3.47Å; L184-N187 PolarHBondContact O-N 3.48Å; N187-A190 PolarHBondContact O-N 3.01Å; N187-V191 WeakPolarHBondContact O-CG2 3.29Å; N187-V191 PolarHBondContact O-N 2.94Å; N187-V191 VanDerWaalsContact O-N 3.15Å |
| 188 | I | 89.6 | Confident | 85.4 | Confident | 16 Ų | 16 | 75.1 Ų | 75.1 | 8% | 0.082 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 176 | -67.8 | 166.2 | 0 | 0 | 0 | 109.9 | I106 P107 N110 W150 L184 M185 A190 V191 L192 | I106-I188 HydrophobicContact CG2-CB 4.46Å; I106-I188 HydrophobicContact CG2-CG2 3.93Å; P107-I188 HydrophobicContact CB-CD1 3.99Å; P107-I188 HydrophobicContact CG-CD1 4.16Å; N110-I188 HydrophobicContact CB-CD1 4.07Å; N110-I188 HydrophobicContact CB-CG2 4.32Å; W150-I188 HydrophobicContact CH2-CG2 4.31Å; L184-I188 HydrophobicContact CD1-CD1 4.13Å; L184-I188 HydrophobicContact CD1-CG1 4.45Å; L184-I188 HydrophobicContact CG-CD1 4.07Å; L184-I188 VanDerWaalsContact O-CG1 3.26Å; L184-I188 WeakPolarHBondContact O-CG1 3.3Å; L184-I188 PolarHBondContact O-N 2.91Å; M185-I188 PolarHBondContact O-N 2.88Å; I188-A190 VanDerWaalsContact C-N 3.28Å; I188-A190 PolarHBondContact O-N 3.35Å; I188-V191 PolarHBondContact O-N 3.39Å; I188-L192 HydrophobicContact CG2-CD1 3.95Å; I188-L192 HydrophobicContact CG2-CG 4.16Å; I188-L192 VanDerWaalsContact O-CG 3.31Å; I188-L192 WeakPolarHBondContact O-CG 3.3Å; I188-L192 PolarHBondContact O-N 3.06Å |
| 189 | L | 90.7 | Very high | 86.6 | Confident | 18 Ų | 18 | 71.8 Ų | 71.8 | 9% | 0.094 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.7 | -35.8 | 178.6 | -75.6 | 171.9 | 0 | 0 | 0 | 112.9 | I106 T154 S158 M185 E186 K193 | I106-L189 HydrophobicContact CD1-CD1 4.34Å; I106-L189 HydrophobicContact CD1-CD2 4.25Å; I106-L189 HydrophobicContact CD1-CG 4.43Å; T154-L189 HydrophobicContact CG2-CD2 3.74Å; S158-L189 WeakPolarHBondContact OG-CD2 3.46Å; M185-L189 HydrophobicContact CG-CD1 4.01Å; M185-L189 WeakPolarHBondContact O-CB 3.36Å; M185-L189 VanDerWaalsContact O-CG 3.3Å; M185-L189 WeakPolarHBondContact O-CG 3.28Å; M185-L189 PolarHBondContact O-N 3.06Å; E186-L189 PolarHBondContact O-N 2.94Å; L189-K193 WeakPolarHBondContact O-CB 3.45Å; L189-K193 VanDerWaalsContact O-CG 3.24Å; L189-K193 WeakPolarHBondContact O-CG 3.22Å; L189-K193 PolarHBondContact O-N 3.17Å |
| 190 | A | 91.6 | Very high | 87.6 | Confident | 48 Ų | 48 | 66.9 Ų | 66.9 | 40% | 0.397 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.3 | -49.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E186 N187 I188 L192 K193 E194 | E186-A190 WeakPolarHBondContact O-CB 3.48Å; E186-A190 PolarHBondContact O-N 3.32Å; N187-A190 PolarHBondContact O-N 3.01Å; I188-A190 VanDerWaalsContact C-N 3.28Å; I188-A190 PolarHBondContact O-N 3.35Å; A190-L192 PolarHBondContact O-N 3.44Å; A190-K193 PolarHBondContact O-N 3.23Å; A190-E194 WeakPolarHBondContact O-CG 3.35Å; A190-E194 PolarHBondContact O-N 3.39Å |
| 191 | V | 91.7 | Very high | 88.6 | Confident | 65 Ų | 65 | 63 Ų | 63 | 39% | 0.394 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 177.2 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | N187 I188 K193 E194 Q195 | N187-V191 WeakPolarHBondContact O-CG2 3.29Å; N187-V191 PolarHBondContact O-N 2.94Å; N187-V191 VanDerWaalsContact O-N 3.15Å; I188-V191 PolarHBondContact O-N 3.39Å; V191-K193 VanDerWaalsContact C-N 3.32Å; V191-K193 PolarHBondContact O-N 3.48Å; V191-E194 PolarHBondContact O-N 3.21Å; V191-Q195 HydrophobicContact CG1-CG 4.49Å; V191-Q195 WeakPolarHBondContact O-CG 3.45Å; V191-Q195 PolarHBondContact O-N 3.29Å |
| 192 | L | 91.8 | Very high | 89.6 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 177.8 | -65.4 | -180 | 0 | 0 | 0 | 111.6 | W150 A151 T154 I155 I188 A190 Q195 A196 | W150-L192 HydrophobicContact CH2-CD1 3.84Å; W150-L192 HydrophobicContact CH2-CD2 4.22Å; W150-L192 HydrophobicContact CZ2-CD1 4.31Å; W150-L192 HydrophobicContact CZ3-CD1 4.15Å; W150-L192 HydrophobicContact CZ3-CD2 3.83Å; A151-L192 HydrophobicContact CB-CD2 3.8Å; T154-L192 HydrophobicContact CG2-CD1 3.96Å; I155-L192 HydrophobicContact CD1-CB 4.12Å; I155-L192 VanDerWaalsContact CD1-O 3.32Å; I155-L192 WeakPolarHBondContact CD1-O 3.43Å; I155-L192 HydrophobicContact CG1-CB 4.01Å; I188-L192 HydrophobicContact CG2-CD1 3.95Å; I188-L192 HydrophobicContact CG2-CG 4.16Å; I188-L192 VanDerWaalsContact O-CG 3.31Å; I188-L192 WeakPolarHBondContact O-CG 3.3Å; I188-L192 PolarHBondContact O-N 3.06Å; A190-L192 PolarHBondContact O-N 3.44Å; L192-Q195 CarbonylContact O-C 3.58Å; L192-Q195 PolarHBondContact O-N 3.38Å; L192-A196 PolarHBondContact O-N 3.36Å |
| 193 | K | 89.8 | Confident | 90.2 | Very high | 121 Ų | 121 | 54.6 Ų | 54.6 | 53% | 0.526 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 176.8 | -76.3 | 172.3 | -176.7 | 175.8 | 0 | 112.4 | I155 L189 A190 V191 Q195 A196 | I155-K193 HydrophobicContact CG1-CG 4.25Å; I155-K193 HydrophobicContact CG2-CG 4.26Å; L189-K193 WeakPolarHBondContact O-CB 3.45Å; L189-K193 VanDerWaalsContact O-CG 3.24Å; L189-K193 WeakPolarHBondContact O-CG 3.22Å; L189-K193 PolarHBondContact O-N 3.17Å; A190-K193 PolarHBondContact O-N 3.23Å; V191-K193 VanDerWaalsContact C-N 3.32Å; V191-K193 PolarHBondContact O-N 3.48Å; K193-Q195 VanDerWaalsContact C-N 3.31Å; K193-A196 VanDerWaalsContact O-CB 3.27Å; K193-A196 WeakPolarHBondContact O-CB 3.29Å; K193-A196 PolarHBondContact O-N 2.96Å |
| 194 | E | 90.9 | Very high | 90.6 | Very high | 158 Ų | 158 | 52.5 Ų | 52.5 | 74% | 0.738 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63 | -38.7 | 174.1 | -72.2 | 179 | 178.8 | 0 | 0 | 111.7 | A190 V191 A196 | A190-E194 WeakPolarHBondContact O-CG 3.35Å; A190-E194 PolarHBondContact O-N 3.39Å; V191-E194 PolarHBondContact O-N 3.21Å; E194-A196 VanDerWaalsContact C-N 3.31Å; E194-A196 PolarHBondContact O-N 3.01Å |
| 195 | Q | 90.4 | Very high | 90.9 | Very high | 72 Ų | 72 | 50.2 Ų | 50.2 | 34% | 0.336 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -83.4 | -2.5 | 179.6 | -65.5 | 176.4 | 2.1 | 0 | 0 | 113.8 | V191 L192 K193 A197 D198 S199 | V191-Q195 HydrophobicContact CG1-CG 4.49Å; V191-Q195 WeakPolarHBondContact O-CG 3.45Å; V191-Q195 PolarHBondContact O-N 3.29Å; L192-Q195 CarbonylContact O-C 3.58Å; L192-Q195 PolarHBondContact O-N 3.38Å; K193-Q195 VanDerWaalsContact C-N 3.31Å; Q195-A197 VanDerWaalsContact C-N 3.27Å; Q195-A197 PolarHBondContact O-N 3.36Å; Q195-A197 VanDerWaalsContact O-N 3.17Å; Q195-D198 WeakPolarHBondContact O-CB 3.13Å; Q195-D198 PolarHBondContact O-N 3.32Å; Q195-S199 PolarHBondContact O-N 3.48Å; Q195-S199 PolarHBondContact O-OG 3.48Å |
| 196 | A | 90.8 | Very high | 91 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 7% | 0.066 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.4 | -31.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I152 I155 L192 K193 E194 V200 R264 | I152-A196 HydrophobicContact CD1-CB 4.43Å; I155-A196 HydrophobicContact CD1-CB 3.75Å; L192-A196 PolarHBondContact O-N 3.36Å; K193-A196 VanDerWaalsContact O-CB 3.27Å; K193-A196 WeakPolarHBondContact O-CB 3.29Å; K193-A196 PolarHBondContact O-N 2.96Å; E194-A196 VanDerWaalsContact C-N 3.31Å; E194-A196 PolarHBondContact O-N 3.01Å; A196-V200 VanDerWaalsContact O-CG2 3.25Å; A196-V200 WeakPolarHBondContact O-CG2 3.47Å; A196-V200 PolarHBondContact O-N 2.86Å; A196-V200 VanDerWaalsContact O-N 3.1Å; A196-R264 PolarHBondContact O-NH2 3.37Å |
| 197 | A | 90.9 | Very high | 91.2 | Very high | 62 Ų | 62 | 43.9 Ų | 43.9 | 51% | 0.512 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -70.3 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q195 V200 S201 | Q195-A197 VanDerWaalsContact C-N 3.27Å; Q195-A197 PolarHBondContact O-N 3.36Å; Q195-A197 VanDerWaalsContact O-N 3.17Å; A197-V200 PolarHBondContact O-N 3.5Å; A197-S201 PolarHBondContact O-N 2.67Å |
| 198 | D | 92.6 | Very high | 91.1 | Very high | 48 Ų | 48 | 48.5 Ų | 48.5 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 177.1 | -67.1 | -8.5 | 0 | 0 | 0 | 109.9 | K127 V129 Q195 V200 S201 V202 | K127-D198 IonicContact NZ-OD2 2.91Å; V129-D198 HydrophobicContact CB-CB 4.17Å; V129-D198 HydrophobicContact CG1-CB 4.27Å; Q195-D198 WeakPolarHBondContact O-CB 3.13Å; Q195-D198 PolarHBondContact O-N 3.32Å; D198-V200 PolarHBondContact O-N 3.36Å; D198-S201 WeakPolarHBondContact O-CB 3.3Å; D198-S201 PolarHBondContact O-N 3.16Å; D198-V202 VanDerWaalsContact O-CG2 3.32Å; D198-V202 WeakPolarHBondContact O-CG2 3.2Å; D198-V202 PolarHBondContact O-N 3.45Å |
| 199 | S | 92.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.014 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 176 | -63.7 | 0 | 0 | 0 | 0 | 113.1 | N148 Q195 V202 L203 | N148-S199 WeakPolarHBondContact OD1-CA 3.28Å; N148-S199 VanDerWaalsContact OD1-CB 3.31Å; N148-S199 WeakPolarHBondContact OD1-CB 3.38Å; N148-S199 PolarHBondContact OD1-OG 2.98Å; Q195-S199 PolarHBondContact O-N 3.48Å; Q195-S199 PolarHBondContact O-OG 3.48Å; S199-V202 PolarHBondContact O-N 3.39Å; S199-L203 WeakPolarHBondContact O-CB 3.29Å; S199-L203 VanDerWaalsContact O-CG 3.25Å; S199-L203 WeakPolarHBondContact O-CG 3.47Å; S199-L203 PolarHBondContact O-N 3.49Å |
| 200 | V | 93.3 | Very high | 90.4 | Very high | 10 Ų | 10 | 57.1 Ų | 57.1 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 173.6 | 166.4 | 0 | 0 | 0 | 0 | 110.9 | I152 A196 A197 D198 V202 L203 D204 L257 I260 F261 | I152-V200 HydrophobicContact CD1-CG2 3.86Å; A196-V200 VanDerWaalsContact O-CG2 3.25Å; A196-V200 WeakPolarHBondContact O-CG2 3.47Å; A196-V200 PolarHBondContact O-N 2.86Å; A196-V200 VanDerWaalsContact O-N 3.1Å; A197-V200 PolarHBondContact O-N 3.5Å; D198-V200 PolarHBondContact O-N 3.36Å; V200-V202 PolarHBondContact O-N 3.38Å; V200-L203 PolarHBondContact O-N 3.49Å; V200-D204 PolarHBondContact O-N 3.02Å; V200-L257 HydrophobicContact CB-CD2 4.27Å; V200-L257 HydrophobicContact CG1-CD2 3.95Å; V200-L257 HydrophobicContact CG2-CD2 4.1Å; V200-I260 HydrophobicContact CG2-CG2 4.06Å; V200-F261 HydrophobicContact CG1-CE2 4.38Å; V200-F261 HydrophobicContact CG1-CZ 3.96Å |
| 201 | S | 93.3 | Very high | 89.9 | Confident | 57 Ų | 57 | 61 Ų | 61 | 40% | 0.399 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 178.7 | -173.5 | 0 | 0 | 0 | 0 | 112.5 | A197 D198 D204 A205 | A197-S201 PolarHBondContact O-N 2.67Å; D198-S201 WeakPolarHBondContact O-CB 3.3Å; D198-S201 PolarHBondContact O-N 3.16Å; S201-D204 PolarHBondContact O-N 2.72Å; S201-A205 PolarHBondContact O-N 2.94Å |
| 202 | V | 92.6 | Very high | 89.4 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.03 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 176.4 | 174 | 0 | 0 | 0 | 0 | 111.3 | H128 V129 L133 V144 N148 D198 S199 V200 A205 A206 | H128-V202 HydrophobicContact CB-CG2 3.92Å; V129-V202 HydrophobicContact CB-CG2 4.17Å; L133-V202 HydrophobicContact CD1-CG1 4.2Å; V144-V202 HydrophobicContact CG1-CG1 3.98Å; N148-V202 HydrophobicContact CB-CG1 4.39Å; D198-V202 VanDerWaalsContact O-CG2 3.32Å; D198-V202 WeakPolarHBondContact O-CG2 3.2Å; D198-V202 PolarHBondContact O-N 3.45Å; S199-V202 PolarHBondContact O-N 3.39Å; V200-V202 PolarHBondContact O-N 3.38Å; V202-A205 WeakPolarHBondContact O-CB 3.24Å; V202-A205 PolarHBondContact O-N 3.26Å; V202-A206 PolarHBondContact O-N 2.93Å |
| 203 | L | 93.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.9 | -38 | 177.3 | -68.4 | -179.9 | 0 | 0 | 0 | 112.3 | I145 N148 R149 I152 S199 V200 A205 A206 L207 V253 L257 | I145-L203 HydrophobicContact CG2-CD2 4.2Å; N148-L203 HydrophobicContact CB-CD2 4.12Å; N148-L203 HydrophobicContact CB-CG 4.21Å; R149-L203 HydrophobicContact CG-CD1 4.39Å; R149-L203 HydrophobicContact CG-CD2 3.55Å; I152-L203 HydrophobicContact CB-CD1 4.46Å; I152-L203 HydrophobicContact CG1-CD1 3.93Å; S199-L203 WeakPolarHBondContact O-CB 3.29Å; S199-L203 VanDerWaalsContact O-CG 3.25Å; S199-L203 WeakPolarHBondContact O-CG 3.47Å; S199-L203 PolarHBondContact O-N 3.49Å; V200-L203 PolarHBondContact O-N 3.49Å; L203-A205 VanDerWaalsContact C-N 3.31Å; L203-A205 PolarHBondContact O-N 3.17Å; L203-A206 WeakPolarHBondContact O-CB 3.17Å; L203-A206 PolarHBondContact O-N 3.1Å; L203-L207 PolarHBondContact O-N 3.34Å; L203-V253 HydrophobicContact CB-CG1 3.91Å; L203-V253 HydrophobicContact CD2-CG1 4.35Å; L203-V253 HydrophobicContact CD2-CG2 4.38Å; L203-L257 HydrophobicContact CB-CD1 4.16Å; L203-L257 HydrophobicContact CB-CD2 3.96Å; L203-L257 HydrophobicContact CB-CG 4.16Å; L203-L257 HydrophobicContact CD1-CD2 4.18Å; L203-L257 HydrophobicContact CD1-CG 4.44Å |
| 204 | D | 91.4 | Very high | 88.6 | Confident | 54 Ų | 54 | 56.5 Ų | 56.5 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 171.6 | -84.7 | -28.7 | 0 | 0 | 0 | 112 | V200 S201 A206 L207 L257 H278 | V200-D204 PolarHBondContact O-N 3.02Å; S201-D204 PolarHBondContact O-N 2.72Å; D204-A206 VanDerWaalsContact C-N 3.34Å; D204-L207 PolarHBondContact O-N 2.82Å; D204-L257 WeakPolarHBondContact OD1-CD1 3.38Å; D204-H278 IonicContact OD1-CE1 3.01Å |
| 205 | A | 89.4 | Confident | 88.2 | Confident | 39 Ų | 39 | 49.2 Ų | 49.2 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.4 | -37.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L133 S201 V202 L203 L207 R208 | L133-A205 HydrophobicContact CD1-CB 4.21Å; S201-A205 PolarHBondContact O-N 2.94Å; V202-A205 WeakPolarHBondContact O-CB 3.24Å; V202-A205 PolarHBondContact O-N 3.26Å; L203-A205 VanDerWaalsContact C-N 3.31Å; L203-A205 PolarHBondContact O-N 3.17Å; A205-L207 VanDerWaalsContact C-N 3.31Å; A205-L207 PolarHBondContact O-N 3.35Å; A205-R208 WeakPolarHBondContact O-CB 3.36Å; A205-R208 PolarHBondContact O-N 3.44Å; A205-R208 VanDerWaalsContact O-N 3.15Å |
| 206 | A | 88.9 | Confident | 87.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.9 | -35.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L133 I145 V202 L203 D204 R208 L209 H250 | L133-A206 HydrophobicContact CD1-CB 4.1Å; I145-A206 HydrophobicContact CD1-CB 3.81Å; I145-A206 HydrophobicContact CG1-CB 3.98Å; V202-A206 PolarHBondContact O-N 2.93Å; L203-A206 WeakPolarHBondContact O-CB 3.17Å; L203-A206 PolarHBondContact O-N 3.1Å; D204-A206 VanDerWaalsContact C-N 3.34Å; A206-R208 PolarHBondContact O-N 2.91Å; A206-L209 WeakPolarHBondContact O-CB 3.32Å; A206-L209 PolarHBondContact O-N 3.4Å; A206-H250 PolarHBondContact O-NE2 3.16Å |
| 207 | L | 89.9 | Confident | 87.5 | Confident | 30 Ų | 30 | 47.6 Ų | 47.6 | 16% | 0.157 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.2 | -21.2 | 175.7 | -67.5 | 179.4 | 0 | 0 | 0 | 113.7 | L203 D204 A205 L209 H250 V253 L257 | L203-L207 PolarHBondContact O-N 3.34Å; D204-L207 PolarHBondContact O-N 2.82Å; A205-L207 VanDerWaalsContact C-N 3.31Å; A205-L207 PolarHBondContact O-N 3.35Å; L207-L209 VanDerWaalsContact C-N 3.33Å; L207-H250 HydrophobicContact CD2-CB 3.94Å; L207-H250 PolarHBondContact O-CE1 3.05Å; L207-H250 VanDerWaalsContact O-CE1 3.26Å; L207-H250 PolarHBondContact O-NE2 3.34Å; L207-V253 HydrophobicContact CD1-CG1 4.27Å; L207-V253 HydrophobicContact CD2-CB 3.84Å; L207-V253 HydrophobicContact CD2-CG1 3.64Å; L207-V253 HydrophobicContact CG-CG1 3.77Å; L207-L257 HydrophobicContact CD1-CD1 3.75Å |
| 208 | R | 87.9 | Confident | 87.1 | Confident | 203 Ų | 203 | 46.2 Ų | 46.2 | 77% | 0.766 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -14.2 | 178.7 | -59.8 | 178.6 | -170.4 | 178.4 | 3.1 | 113 | A205 A206 | A205-R208 WeakPolarHBondContact O-CB 3.36Å; A205-R208 PolarHBondContact O-N 3.44Å; A205-R208 VanDerWaalsContact O-N 3.15Å; A206-R208 PolarHBondContact O-N 2.91Å |
| 209 | L | 85.1 | Confident | 86.3 | Confident | 20 Ų | 20 | 52.7 Ų | 52.7 | 11% | 0.105 | 25% | 0.246 | C | C | . | . | trans | -82.9 | 125.7 | -178.1 | -60.8 | 173 | 0 | 0 | 0 | 110.1 | L133 A206 L207 F213 H250 | L133-L209 HydrophobicContact CB-CD1 3.76Å; L133-L209 HydrophobicContact CD1-CD1 4.36Å; A206-L209 WeakPolarHBondContact O-CB 3.32Å; A206-L209 PolarHBondContact O-N 3.4Å; L207-L209 VanDerWaalsContact C-N 3.33Å; L209-F213 HydrophobicContact CB-CE2 4.26Å; L209-F213 HydrophobicContact CB-CZ 3.68Å; L209-F213 HydrophobicContact CD1-CE1 3.91Å; L209-F213 HydrophobicContact CD1-CZ 3.54Å; L209-F213 HydrophobicContact CG-CZ 4.24Å; L209-H250 PolarHBondContact O-CE1 3.49Å; L209-H250 PolarHBondContact O-NE2 2.95Å | ||
| 210 | K | 79.6 | Confident | 85.6 | Confident | 195 Ų | 195 | 53.1 Ų | 53.1 | 85% | 0.848 | 25% | 0.248 | S | C | * | . | trans | -103.2 | 11 | 178.5 | -59.9 | -173.3 | 179.3 | -176.5 | 0 | 113.6 | ||||
| 211 | K | 80.6 | Confident | 85 | Confident | 130 Ų | 130 | 52.6 Ų | 52.6 | 57% | 0.565 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -92.4 | 151.5 | -178.2 | -43.9 | -178.8 | -170.3 | 176.6 | 0 | 108.4 | S134 F213 | S134-K211 PolarHBondContact O-NZ 2.91Å; K211-F213 VanDerWaalsContact O-CD2 3.29Å; K211-F213 WeakPolarHBondContact O-CD2 3.41Å; K211-F213 WeakPolarHBondContact O-CE2 3.43Å |
| 212 | D | 81.3 | Confident | 84.2 | Confident | 49 Ų | 49 | 52.9 Ų | 52.9 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | trans | -72.6 | 149.2 | 170.2 | -67 | -22.6 | 0 | 0 | 0 | 111 | R243 A246 | D212-R243 HydrophobicContact CB-CG 4.26Å; D212-R243 IonicContact OD2-CZ 3.67Å; D212-R243 IonicContact OD2-NE 3.82Å; D212-R243 PolarHBondContact OD2-NE 3.48Å; D212-R243 IonicContact OD2-NH2 3.82Å; D212-R243 PolarHBondContact OD2-NH2 3.15Å; D212-A246 PolarHBondContact OD1-N 2.88Å | ||
| 213 | F | 80.8 | Confident | 83.1 | Confident | 9 Ų | 9 | 56.1 Ų | 56.1 | 4% | 0.039 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 157.3 | -178.7 | -66.1 | -91.7 | 0 | 0 | 0 | 110.8 | A141 M142 I145 L209 K211 R243 I244 L249 | A141-F213 HydrophobicContact CB-CE1 4.44Å; M142-F213 HydrophobicContact SD-CB 4.21Å; I145-F213 HydrophobicContact CD1-CD1 4.31Å; I145-F213 HydrophobicContact CD1-CE1 3.87Å; I145-F213 HydrophobicContact CD1-CZ 4.33Å; L209-F213 HydrophobicContact CB-CE2 4.26Å; L209-F213 HydrophobicContact CB-CZ 3.68Å; L209-F213 HydrophobicContact CD1-CE1 3.91Å; L209-F213 HydrophobicContact CD1-CZ 3.54Å; L209-F213 HydrophobicContact CG-CZ 4.24Å; K211-F213 VanDerWaalsContact O-CD2 3.29Å; K211-F213 WeakPolarHBondContact O-CD2 3.41Å; K211-F213 WeakPolarHBondContact O-CE2 3.43Å; F213-R243 WeakPolarHBondContact O-CA 3.45Å; F213-I244 PolarHBondContact N-O 3.13Å; F213-I244 PolarHBondContact O-N 3.36Å; F213-L249 HydrophobicContact CD1-CD2 4.35Å; F213-L249 HydrophobicContact CD2-CD2 3.38Å; F213-L249 HydrophobicContact CE1-CD2 4.42Å; F213-L249 HydrophobicContact CE2-CD2 3.48Å; F213-L249 VanDerWaalsContact CE2-CD2 3.48Å; F213-L249 HydrophobicContact CG-CD2 3.84Å; F213-L249 HydrophobicContact CZ-CD2 4Å |
| 214 | Y | 84 | Confident | 82 | Confident | 36 Ų | 36 | 59 Ų | 59 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 125.3 | -179.2 | -65.1 | -92.1 | 0 | 0 | 0 | 109.1 | P138 T139 T239 L242 R243 | P138-Y214 HydrophobicContact CB-CD2 3.73Å; P138-Y214 HydrophobicContact CG-CD2 4.35Å; T139-Y214 WeakPolarHBondContact CA-O 3.47Å; Y214-T239 VanDerWaalsContact CD1-O 3.27Å; Y214-T239 WeakPolarHBondContact CD1-O 3.5Å; Y214-T239 HydrophobicContact CE1-CG2 4.13Å; Y214-T239 WeakPolarHBondContact CE1-O 3.4Å; Y214-T239 HydrophobicContact CE2-CG2 3.81Å; Y214-T239 WeakPolarHBondContact OH-CG2 3.3Å; Y214-L242 WeakPolarHBondContact CA-O 3.43Å; Y214-R243 HydrophobicContact CD1-CB 4.19Å; Y214-R243 HydrophobicContact CE1-CB 3.83Å; Y214-R243 HydrophobicContact CE1-CG 4.09Å |
| 215 | V | 82.9 | Confident | 80.5 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.024 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 145.8 | 175.8 | 172.3 | 0 | 0 | 0 | 0 | 110.1 | W95 M142 I146 T217 G241 L242 I244 | W95-V215 HydrophobicContact CB-CG1 4.35Å; W95-V215 HydrophobicContact CG-CG1 3.78Å; M142-V215 HydrophobicContact CE-CG2 3.49Å; M142-V215 VanDerWaalsContact CE-CG2 3.49Å; M142-V215 HydrophobicContact CG-CB 4.47Å; M142-V215 HydrophobicContact CG-CG2 3.36Å; M142-V215 HydrophobicContact SD-CG2 4.19Å; I146-V215 HydrophobicContact CD1-CG2 4.32Å; V215-T217 PolarHBondContact O-N 3.11Å; V215-G241 CarbonylContact O-C 3.37Å; V215-G241 WeakPolarHBondContact O-CA 3.25Å; V215-L242 HydrophobicContact CB-CB 4.47Å; V215-L242 PolarHBondContact N-O 3.22Å; V215-L242 PolarHBondContact O-N 3.5Å; V215-I244 HydrophobicContact CB-CD1 4.21Å; V215-I244 HydrophobicContact CG2-CD1 3.28Å; V215-I244 HydrophobicContact CG2-CG1 4.38Å |
| 216 | H | 84.3 | Confident | 79.1 | Confident | 10 Ų | 10 | 59.4 Ų | 59.4 | 5% | 0.046 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 128.6 | 176.4 | -74.5 | -63 | 0 | 0 | 0 | 111.8 | A91 W95 S120 T220 L221 | A91-H216 WeakPolarHBondContact CB-O 3.39Å; W95-H216 PolarHBondContact NE1-O 3.48Å; S120-H216 PolarHBondContact OG-NE2 3Å; H216-T220 VanDerWaalsContact CA-OG1 3.24Å; H216-T220 WeakPolarHBondContact CA-OG1 3.46Å; H216-T220 PolarHBondContact ND1-OG1 3.4Å; H216-L221 HydrophobicContact CB-CD2 4.05Å; H216-L221 HydrophobicContact CB-CG 4.12Å |
| 217 | T | 83.1 | Confident | 77.3 | Confident | 37 Ų | 37 | 66.2 Ų | 66.2 | 23% | 0.227 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -103.5 | 171.5 | 172.1 | 62.7 | 0 | 0 | 0 | 0 | 109.9 | V215 R219 T220 L221 L242 | V215-T217 PolarHBondContact O-N 3.11Å; T217-R219 PolarHBondContact O-N 2.96Å; T217-T220 PolarHBondContact N-OG1 2.9Å; T217-T220 PolarHBondContact O-N 3.3Å; T217-T220 PolarHBondContact O-OG1 3.2Å; T217-T220 VanDerWaalsContact O-OG1 3.09Å; T217-T220 PolarHBondContact OG1-N 3.12Å; T217-L221 WeakPolarHBondContact O-CG 3.49Å; T217-L221 PolarHBondContact O-N 3.37Å; T217-L242 HydrophobicContact CG2-CB 3.86Å |
| 218 | L | 81.3 | Confident | 75.3 | Confident | 33 Ų | 33 | 69.5 Ų | 69.5 | 17% | 0.173 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -49.9 | -44.4 | 172 | -73.4 | 125 | 0 | 0 | 0 | 111.6 | E36 K88 H92 L221 D222 | E36-L218 HydrophobicContact CG-CD2 4.11Å; K88-L218 HydrophobicContact CB-CD2 3.85Å; K88-L218 HydrophobicContact CD-CD2 4.41Å; K88-L218 HydrophobicContact CG-CD2 4.21Å; H92-L218 HydrophobicContact CB-CD1 4.09Å; L218-L221 PolarHBondContact O-N 3.48Å; L218-D222 PolarHBondContact O-N 3.39Å |
| 219 | R | 77.1 | Confident | 73.3 | Confident | 184 Ų | 184 | 65 Ų | 65 | 69% | 0.694 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.8 | -42.5 | 179.8 | -172.8 | 178.4 | 179.5 | -173.9 | -1.2 | 113.3 | T217 L221 D222 L223 | T217-R219 PolarHBondContact O-N 2.96Å; R219-L221 VanDerWaalsContact C-N 3.33Å; R219-D222 PolarHBondContact O-N 3.21Å; R219-L223 HydrophobicContact CG-CD1 4.49Å; R219-L223 WeakPolarHBondContact O-CG 3.39Å; R219-L223 PolarHBondContact O-N 2.8Å |
| 220 | T | 78.4 | Confident | 71.3 | Confident | 10 Ų | 10 | 67.7 Ų | 67.7 | 6% | 0.061 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -71.4 | -32.5 | 179.6 | 61.8 | 0 | 0 | 0 | 0 | 111.7 | H216 T217 L224 A240 | H216-T220 VanDerWaalsContact CA-OG1 3.24Å; H216-T220 WeakPolarHBondContact CA-OG1 3.46Å; H216-T220 PolarHBondContact ND1-OG1 3.4Å; T217-T220 PolarHBondContact N-OG1 2.9Å; T217-T220 PolarHBondContact O-N 3.3Å; T217-T220 PolarHBondContact O-OG1 3.2Å; T217-T220 VanDerWaalsContact O-OG1 3.09Å; T217-T220 PolarHBondContact OG1-N 3.12Å; T220-L224 WeakPolarHBondContact O-CD1 3.34Å; T220-L224 WeakPolarHBondContact O-CG 3.48Å; T220-L224 PolarHBondContact O-N 3.01Å; T220-A240 HydrophobicContact CG2-CB 4.19Å |
| 221 | L | 80.9 | Confident | 69.6 | Low | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.2 | -35.6 | 174.9 | -67.6 | 172.3 | 0 | 0 | 0 | 112.4 | L84 L87 K88 A91 V119 H216 T217 L218 R219 L224 G225 | L84-L221 HydrophobicContact CD1-CB 4.14Å; L87-L221 HydrophobicContact CB-CD1 3.91Å; L87-L221 HydrophobicContact CB-CD2 4.41Å; L87-L221 HydrophobicContact CD1-CD2 4.47Å; L87-L221 WeakPolarHBondContact O-CD1 3.25Å; K88-L221 HydrophobicContact CG-CB 4.29Å; K88-L221 HydrophobicContact CG-CD1 4.19Å; A91-L221 HydrophobicContact CB-CD1 3.73Å; V119-L221 HydrophobicContact CG1-CD2 4.05Å; H216-L221 HydrophobicContact CB-CD2 4.05Å; H216-L221 HydrophobicContact CB-CG 4.12Å; T217-L221 WeakPolarHBondContact O-CG 3.49Å; T217-L221 PolarHBondContact O-N 3.37Å; L218-L221 PolarHBondContact O-N 3.48Å; R219-L221 VanDerWaalsContact C-N 3.33Å; L221-L224 PolarHBondContact O-N 2.86Å; L221-G225 PolarHBondContact O-N 3.03Å |
| 222 | D | 75.3 | Confident | 67.8 | Low | 62 Ų | 62 | 60.5 Ų | 60.5 | 33% | 0.332 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 173.5 | -89.5 | -50 | 0 | 0 | 0 | 113 | K88 L218 R219 L224 G225 S226 | K88-D222 WeakPolarHBondContact CE-OD1 3.27Å; K88-D222 WeakPolarHBondContact CE-OD2 3.25Å; K88-D222 IonicContact NZ-OD1 3.16Å; K88-D222 PolarHBondContact NZ-OD1 3.45Å; K88-D222 IonicContact NZ-OD2 3.97Å; K88-D222 PolarHBondContact NZ-OD2 3.18Å; L218-D222 PolarHBondContact O-N 3.39Å; R219-D222 PolarHBondContact O-N 3.21Å; D222-L224 VanDerWaalsContact C-N 3.26Å; D222-L224 PolarHBondContact O-N 2.78Å; D222-G225 PolarHBondContact O-N 3.28Å; D222-S226 PolarHBondContact O-N 3.25Å |
| 223 | L | 70.6 | Confident | 66.2 | Low | 74 Ų | 74 | 61.3 Ų | 61.3 | 39% | 0.387 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.3 | -27.7 | 176.8 | -68.5 | 166 | 0 | 0 | 0 | 112.9 | R219 S226 T235 | R219-L223 HydrophobicContact CG-CD1 4.49Å; R219-L223 WeakPolarHBondContact O-CG 3.39Å; R219-L223 PolarHBondContact O-N 2.8Å; L223-S226 PolarHBondContact O-OG 2.98Å; L223-T235 HydrophobicContact CB-CG2 3.8Å |
| 224 | L | 68.6 | Low | 64.5 | Low | 59 Ų | 59 | 67.7 Ų | 67.7 | 31% | 0.309 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -81.7 | -23.9 | 175 | -70.7 | 165 | 0 | 0 | 0 | 112.6 | V119 T220 L221 D222 | V119-L224 HydrophobicContact CG1-CB 4.29Å; V119-L224 HydrophobicContact CG1-CD1 3.86Å; T220-L224 WeakPolarHBondContact O-CD1 3.34Å; T220-L224 WeakPolarHBondContact O-CG 3.48Å; T220-L224 PolarHBondContact O-N 3.01Å; L221-L224 PolarHBondContact O-N 2.86Å; D222-L224 VanDerWaalsContact C-N 3.26Å; D222-L224 PolarHBondContact O-N 2.78Å |
| 225 | G | 61.3 | Low | 62.8 | Low | 47 Ų | 47 | 67.7 Ų | 67.7 | 49% | 0.485 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -87.7 | -15.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L221 D222 | L221-G225 PolarHBondContact O-N 3.03Å; D222-G225 PolarHBondContact O-N 3.28Å |
| 226 | S | 60.1 | Low | 61.1 | Low | 56 Ų | 56 | 73.6 Ų | 73.6 | 39% | 0.392 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -77.7 | 138.1 | 174.8 | 53.8 | 0 | 0 | 0 | 0 | 112 | D222 L223 A228 | D222-S226 PolarHBondContact O-N 3.25Å; L223-S226 PolarHBondContact O-OG 2.98Å; S226-A228 PolarHBondContact O-N 3.42Å |
| 227 | D | 50.9 | Low | 59.4 | Low | 142 Ų | 142 | 77.3 Ų | 77.3 | 76% | 0.759 | 48% | 0.477 | S | S | * | . | trans | -48.6 | 138.9 | -179 | -84.8 | -35.9 | 0 | 0 | 0 | 112.5 | A229 A230 | D227-A229 PolarHBondContact O-N 3.33Å; D227-A230 PolarHBondContact O-N 2.93Å; D227-A230 VanDerWaalsContact O-N 3.11Å | ||
| 228 | A | 47.9 | Very low | 58 | Low | 100 Ų | 100 | 76.7 Ų | 76.7 | 83% | 0.826 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -6.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | S226 | S226-A228 PolarHBondContact O-N 3.42Š|
| 229 | A | 44.3 | Very low | 56.9 | Low | 107 Ų | 107 | 79.5 Ų | 79.5 | 88% | 0.884 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -12.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | D227 | D227-A229 PolarHBondContact O-N 3.33Š|
| 230 | A | 44.9 | Very low | 56.2 | Low | 77 Ų | 77 | 72.7 Ų | 72.7 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -109.7 | -5.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D227 N232 | D227-A230 PolarHBondContact O-N 2.93Å; D227-A230 VanDerWaalsContact O-N 3.11Å; A230-N232 PolarHBondContact O-N 3.43Å |
| 231 | A | 43.6 | Very low | 55.9 | Low | 46 Ų | 46 | 72.8 Ų | 72.8 | 38% | 0.38 | 48% | 0.479 | S | S | . | . | trans | -84.2 | 95.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110 | G233 | A231-G233 PolarHBondContact O-N 2.89Š| ||
| 232 | N | 42.2 | Very low | 55.9 | Low | 128 Ų | 128 | 75.2 Ų | 75.2 | 68% | 0.684 | 49% | 0.492 | S | S | * | . | trans | -50.9 | 134.7 | 153.7 | -63.6 | -20.4 | 0 | 0 | 0 | 106.4 | A230 E234 | A230-N232 PolarHBondContact O-N 3.43Å; N232-E234 PolarHBondContact O-N 3.42Å | ||
| 233 | G | 47.8 | Very low | 56.3 | Low | 66 Ų | 66 | 80 Ų | 80 | 68% | 0.68 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -58.9 | 27.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | A231 T235 | A231-G233 PolarHBondContact O-N 2.89Å; G233-T235 VanDerWaalsContact C-N 3.25Å; G233-T235 PolarHBondContact O-N 3.33Å |
| 234 | E | 45.3 | Very low | 56.9 | Low | 143 Ų | 143 | 76.5 Ų | 76.5 | 67% | 0.668 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -7.7 | 173.6 | -63.6 | -171.8 | 160 | 0 | 0 | 114.1 | N232 S238 | N232-E234 PolarHBondContact O-N 3.42Å; E234-S238 WeakPolarHBondContact O-CB 3.26Å; E234-S238 PolarHBondContact O-OG 3.42Å |
| 235 | T | 48.3 | Very low | 57.8 | Low | 36 Ų | 36 | 75.4 Ų | 75.4 | 22% | 0.221 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -23.1 | -175.4 | 45.7 | 0 | 0 | 0 | 0 | 114.6 | L223 G233 | L223-T235 HydrophobicContact CB-CG2 3.8Å; G233-T235 VanDerWaalsContact C-N 3.25Å; G233-T235 PolarHBondContact O-N 3.33Å |
| 236 | E | 46.1 | Very low | 58.9 | Low | 128 Ų | 128 | 73.7 Ų | 73.7 | 60% | 0.598 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -88.9 | -15.7 | -175.2 | -60.8 | -165.5 | 155.6 | 0 | 0 | 113.8 | K121 | K121-E236 IonicContact NZ-OE1 2.88Å; K121-E236 PolarHBondContact NZ-OE1 3.11Å |
| 237 | S | 49.5 | Very low | 60.1 | Low | 89 Ų | 89 | 74.4 Ų | 74.4 | 62% | 0.622 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -121.8 | 12 | 177.5 | 60 | 0 | 0 | 0 | 0 | 113.7 | T239 | S237-T239 PolarHBondContact O-N 3.07Š|
| 238 | S | 53.2 | Low | 61.8 | Low | 23 Ų | 23 | 68.3 Ų | 68.3 | 16% | 0.161 | 43% | 0.432 | C | S | . | . | trans | -69 | 117.9 | -163.8 | -143.9 | 0 | 0 | 0 | 0 | 114.2 | E234 A240 | E234-S238 WeakPolarHBondContact O-CB 3.26Å; E234-S238 PolarHBondContact O-OG 3.42Å; S238-A240 PolarHBondContact O-N 2.86Å; S238-A240 WeakPolarHBondContact OG-CB 3.38Å; S238-A240 PolarHBondContact OG-N 2.77Å | ||
| 239 | T | 59.5 | Low | 63.7 | Low | 93 Ų | 93 | 63.6 Ų | 63.6 | 57% | 0.571 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | 11.3 | 159.4 | 53.1 | 0 | 0 | 0 | 0 | 112.4 | Y214 S237 G241 | Y214-T239 VanDerWaalsContact CD1-O 3.27Å; Y214-T239 WeakPolarHBondContact CD1-O 3.5Å; Y214-T239 HydrophobicContact CE1-CG2 4.13Å; Y214-T239 WeakPolarHBondContact CE1-O 3.4Å; Y214-T239 HydrophobicContact CE2-CG2 3.81Å; Y214-T239 WeakPolarHBondContact OH-CG2 3.3Å; S237-T239 PolarHBondContact O-N 3.07Å; T239-G241 PolarHBondContact O-N 3.46Å |
| 240 | A | 62.5 | Low | 65.9 | Low | 41 Ų | 41 | 59.5 Ų | 59.5 | 34% | 0.339 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -3.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | T220 S238 | T220-A240 HydrophobicContact CG2-CB 4.19Å; S238-A240 PolarHBondContact O-N 2.86Å; S238-A240 WeakPolarHBondContact OG-CB 3.38Å; S238-A240 PolarHBondContact OG-N 2.77Å |
| 241 | G | 71.9 | Confident | 68 | Low | 12 Ų | 12 | 55.9 Ų | 55.9 | 12% | 0.124 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -73.6 | 175.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113 | V215 T239 R243 | V215-G241 CarbonylContact O-C 3.37Å; V215-G241 WeakPolarHBondContact O-CA 3.25Å; T239-G241 PolarHBondContact O-N 3.46Å; G241-R243 PolarHBondContact O-N 3.01Å |
| 242 | L | 79.8 | Confident | 70.2 | Confident | 51 Ų | 51 | 54 Ų | 54 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 115.2 | 171 | 178.7 | 66.3 | 0 | 0 | 0 | 108.3 | K94 Y214 V215 T217 | K94-L242 HydrophobicContact CB-CD2 4.5Å; K94-L242 HydrophobicContact CD-CD2 4.48Å; K94-L242 HydrophobicContact CG-CD2 4.4Å; Y214-L242 WeakPolarHBondContact CA-O 3.43Å; V215-L242 HydrophobicContact CB-CB 4.47Å; V215-L242 PolarHBondContact N-O 3.22Å; V215-L242 PolarHBondContact O-N 3.5Å; T217-L242 HydrophobicContact CG2-CB 3.86Å |
| 243 | R | 83.5 | Confident | 72.6 | Confident | 162 Ų | 162 | 48 Ų | 48 | 61% | 0.611 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 128.9 | 178.5 | -175.8 | 179 | 176.5 | -172.2 | -1.4 | 110.4 | D212 F213 Y214 G241 | D212-R243 HydrophobicContact CB-CG 4.26Å; D212-R243 IonicContact OD2-CZ 3.67Å; D212-R243 IonicContact OD2-NE 3.82Å; D212-R243 PolarHBondContact OD2-NE 3.48Å; D212-R243 IonicContact OD2-NH2 3.82Å; D212-R243 PolarHBondContact OD2-NH2 3.15Å; F213-R243 WeakPolarHBondContact O-CA 3.45Å; Y214-R243 HydrophobicContact CD1-CB 4.19Å; Y214-R243 HydrophobicContact CE1-CB 3.83Å; Y214-R243 HydrophobicContact CE1-CG 4.09Å; G241-R243 PolarHBondContact O-N 3.01Å |
| 244 | I | 84.3 | Confident | 74.8 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 130.1 | 173.4 | -61 | 170.8 | 0 | 0 | 0 | 107.5 | M142 F213 V215 E248 L249 H294 | M142-I244 HydrophobicContact CE-CD1 3.8Å; F213-I244 PolarHBondContact N-O 3.13Å; F213-I244 PolarHBondContact O-N 3.36Å; V215-I244 HydrophobicContact CB-CD1 4.21Å; V215-I244 HydrophobicContact CG2-CD1 3.28Å; V215-I244 HydrophobicContact CG2-CG1 4.38Å; I244-E248 HydrophobicContact CG2-CB 3.82Å; I244-L249 HydrophobicContact CG2-CB 4.4Å; I244-H294 HydrophobicContact CD1-CB 4.16Å; I244-H294 WeakPolarHBondContact CD1-CD2 3.29Å; I244-H294 WeakPolarHBondContact CD1-NE2 3.41Å; I244-H294 HydrophobicContact CG1-CB 4.11Å |
| 245 | S | 86.5 | Confident | 77.1 | Confident | 35 Ų | 35 | 39.8 Ų | 39.8 | 25% | 0.245 | 22% | 0.22 | C | C | . | . | trans | -68.1 | 152 | 178 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | D247 E248 L249 | S245-D247 PolarHBondContact O-N 3Å; S245-E248 PolarHBondContact N-OE2 2.88Å; S245-E248 PolarHBondContact O-N 2.83Å; S245-E248 WeakPolarHBondContact OG-CB 3.43Å; S245-E248 WeakPolarHBondContact OG-CG 3.47Å; S245-E248 PolarHBondContact OG-N 2.83Å; S245-E248 PolarHBondContact OG-OE2 3.43Å; S245-L249 PolarHBondContact O-N 3.1Å | ||
| 246 | A | 84.3 | Confident | 79.2 | Confident | 12 Ų | 12 | 38.2 Ų | 38.2 | 10% | 0.099 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.4 | -38.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D212 L249 H250 | D212-A246 PolarHBondContact OD1-N 2.88Å; A246-L249 PolarHBondContact O-N 3.13Å; A246-H250 VanDerWaalsContact O-CB 3.28Å; A246-H250 WeakPolarHBondContact O-CB 3.41Å; A246-H250 PolarHBondContact O-CD2 2.93Å; A246-H250 PolarHBondContact O-N 3.42Å |
| 247 | D | 86.1 | Confident | 81.5 | Confident | 70 Ų | 70 | 32.1 Ų | 32.1 | 37% | 0.374 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66 | -40.7 | 179.6 | -71.9 | -17.4 | 0 | 0 | 0 | 112.9 | S245 L249 C251 L285 L289 | S245-D247 PolarHBondContact O-N 3Å; D247-L249 VanDerWaalsContact C-N 3.34Å; D247-C251 WeakPolarHBondContact O-CB 3.45Å; D247-C251 PolarHBondContact O-N 2.95Å; D247-L285 HydrophobicContact CB-CD2 4.42Å; D247-L289 HydrophobicContact CB-CD2 4.22Å |
| 248 | E | 85.9 | Confident | 83.5 | Confident | 15 Ų | 15 | 27.9 Ų | 27.9 | 7% | 0.07 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65 | -38.2 | 175.7 | -75.6 | 172.3 | 124.9 | 0 | 0 | 112.2 | I244 S245 Q252 L289 V293 V295 | I244-E248 HydrophobicContact CG2-CB 3.82Å; S245-E248 PolarHBondContact N-OE2 2.88Å; S245-E248 PolarHBondContact O-N 2.83Å; S245-E248 WeakPolarHBondContact OG-CB 3.43Å; S245-E248 WeakPolarHBondContact OG-CG 3.47Å; S245-E248 PolarHBondContact OG-N 2.83Å; S245-E248 PolarHBondContact OG-OE2 3.43Å; E248-Q252 PolarHBondContact O-NE2 3.03Å; E248-L289 HydrophobicContact CG-CD1 4.18Å; E248-L289 HydrophobicContact CG-CD2 3.73Å; E248-V293 PolarHBondContact OE1-N 3.3Å; E248-V295 HydrophobicContact CB-CG2 3.67Å; E248-V295 HydrophobicContact CG-CG2 3.72Å |
| 249 | L | 87.6 | Confident | 85.4 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71.5 | -48.6 | 176.7 | -177.6 | 63.6 | 0 | 0 | 0 | 111.1 | M142 I145 F213 I244 S245 A246 D247 C251 Q252 V253 | M142-L249 HydrophobicContact CE-CD1 3.93Å; M142-L249 HydrophobicContact SD-CD1 4.09Å; M142-L249 HydrophobicContact SD-CD2 4.4Å; I145-L249 HydrophobicContact CD1-CD2 4.12Å; I145-L249 HydrophobicContact CG2-CD1 3.96Å; F213-L249 HydrophobicContact CD1-CD2 4.35Å; F213-L249 HydrophobicContact CD2-CD2 3.38Å; F213-L249 HydrophobicContact CE1-CD2 4.42Å; F213-L249 HydrophobicContact CE2-CD2 3.48Å; F213-L249 VanDerWaalsContact CE2-CD2 3.48Å; F213-L249 HydrophobicContact CG-CD2 3.84Å; F213-L249 HydrophobicContact CZ-CD2 4Å; I244-L249 HydrophobicContact CG2-CB 4.4Å; S245-L249 PolarHBondContact O-N 3.1Å; A246-L249 PolarHBondContact O-N 3.13Å; D247-L249 VanDerWaalsContact C-N 3.34Å; L249-C251 VanDerWaalsContact C-N 3.3Å; L249-C251 PolarHBondContact O-N 2.9Å; L249-Q252 PolarHBondContact O-N 3.38Å; L249-V253 HydrophobicContact CD1-CG2 4.15Å; L249-V253 HydrophobicContact CG-CG2 4.2Å; L249-V253 VanDerWaalsContact O-CG2 3.3Å; L249-V253 WeakPolarHBondContact O-CG2 3.11Å; L249-V253 PolarHBondContact O-N 3.46Å |
| 250 | H | 90.7 | Very high | 87 | Confident | 22 Ų | 22 | 22.9 Ų | 22.9 | 10% | 0.102 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.8 | -40.8 | 179.2 | -70.2 | 177.8 | 0 | 0 | 0 | 111.3 | A206 L207 L209 A246 Q252 V253 H254 L285 | A206-H250 PolarHBondContact O-NE2 3.16Å; L207-H250 HydrophobicContact CD2-CB 3.94Å; L207-H250 PolarHBondContact O-CE1 3.05Å; L207-H250 VanDerWaalsContact O-CE1 3.26Å; L207-H250 PolarHBondContact O-NE2 3.34Å; L209-H250 PolarHBondContact O-CE1 3.49Å; L209-H250 PolarHBondContact O-NE2 2.95Å; A246-H250 VanDerWaalsContact O-CB 3.28Å; A246-H250 WeakPolarHBondContact O-CB 3.41Å; A246-H250 PolarHBondContact O-CD2 2.93Å; A246-H250 PolarHBondContact O-N 3.42Å; H250-Q252 VanDerWaalsContact C-N 3.31Å; H250-Q252 PolarHBondContact O-N 3.28Å; H250-V253 PolarHBondContact O-N 2.88Å; H250-H254 WeakPolarHBondContact O-CB 3.39Å; H250-H254 PolarHBondContact O-CD2 3.25Å; H250-H254 PolarHBondContact O-N 3.43Å; H250-L285 HydrophobicContact CB-CD1 3.82Å |
| 251 | C | 90.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -55.1 | -48.1 | 176.3 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | D247 L249 Y255 L285 L289 | D247-C251 WeakPolarHBondContact O-CB 3.45Å; D247-C251 PolarHBondContact O-N 2.95Å; L249-C251 VanDerWaalsContact C-N 3.3Å; L249-C251 PolarHBondContact O-N 2.9Å; C251-Y255 PolarHBondContact O-N 2.92Å; C251-Y255 VanDerWaalsContact O-N 3.12Å; C251-L285 HydrophobicContact CB-CB 3.97Å; C251-L285 HydrophobicContact CB-CD1 4.35Å; C251-L289 HydrophobicContact CB-CD1 4.43Å |
| 252 | Q | 89.9 | Confident | 89.4 | Confident | 8 Ų | 8 | 23.1 Ų | 23.1 | 4% | 0.037 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.7 | -40.6 | 179.2 | -72.7 | 175.6 | 79.3 | 0 | 0 | 113.4 | R149 E248 L249 H250 Y255 D256 H294 V295 L297 | R149-Q252 VanDerWaalsContact CZ-CB 3.47Å; R149-Q252 VanDerWaalsContact CZ-OE1 3.28Å; E248-Q252 PolarHBondContact O-NE2 3.03Å; L249-Q252 PolarHBondContact O-N 3.38Å; H250-Q252 VanDerWaalsContact C-N 3.31Å; H250-Q252 PolarHBondContact O-N 3.28Å; Q252-Y255 WeakPolarHBondContact O-CB 3.47Å; Q252-Y255 PolarHBondContact O-N 3.44Å; Q252-D256 VanDerWaalsContact O-CG 3.31Å; Q252-D256 PolarHBondContact O-N 2.89Å; Q252-H294 PolarHBondContact NE2-O 3.24Å; Q252-V295 HydrophobicContact CG-CG1 4.29Å; Q252-V295 HydrophobicContact CG-CG2 4.46Å; Q252-L297 HydrophobicContact CG-CD2 4.36Å |
| 253 | V | 92.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.8 | -41.4 | 177.7 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | I145 R149 L203 L207 L249 H250 Y255 D256 L257 | I145-V253 HydrophobicContact CG2-CG2 4.4Å; R149-V253 HydrophobicContact CG-CG2 4.34Å; L203-V253 HydrophobicContact CB-CG1 3.91Å; L203-V253 HydrophobicContact CD2-CG1 4.35Å; L203-V253 HydrophobicContact CD2-CG2 4.38Å; L207-V253 HydrophobicContact CD1-CG1 4.27Å; L207-V253 HydrophobicContact CD2-CB 3.84Å; L207-V253 HydrophobicContact CD2-CG1 3.64Å; L207-V253 HydrophobicContact CG-CG1 3.77Å; L249-V253 HydrophobicContact CD1-CG2 4.15Å; L249-V253 HydrophobicContact CG-CG2 4.2Å; L249-V253 VanDerWaalsContact O-CG2 3.3Å; L249-V253 WeakPolarHBondContact O-CG2 3.11Å; L249-V253 PolarHBondContact O-N 3.46Å; H250-V253 PolarHBondContact O-N 2.88Å; V253-Y255 VanDerWaalsContact C-N 3.33Å; V253-Y255 PolarHBondContact O-N 2.96Å; V253-D256 PolarHBondContact O-N 3.18Å; V253-L257 HydrophobicContact CG1-CD1 3.81Å; V253-L257 HydrophobicContact CG1-CG 4.26Å; V253-L257 VanDerWaalsContact O-CB 3.31Å; V253-L257 WeakPolarHBondContact O-CB 3.46Å; V253-L257 WeakPolarHBondContact O-CG 3.48Å; V253-L257 PolarHBondContact O-N 2.93Å |
| 254 | H | 93.7 | Very high | 90.1 | Very high | 25 Ų | 25 | 19.5 Ų | 19.5 | 12% | 0.116 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.4 | -40.1 | 172.8 | -84 | -71.9 | 0 | 0 | 0 | 111.8 | H250 G258 H278 M281 T282 | H250-H254 WeakPolarHBondContact O-CB 3.39Å; H250-H254 PolarHBondContact O-CD2 3.25Å; H250-H254 PolarHBondContact O-N 3.43Å; H254-G258 PolarHBondContact O-N 3.49Å; H254-H278 AromaticContact CE1-ND1 3.71Å; H254-H278 AromaticContact ND1-CE1 3.98Å; H254-H278 AromaticContact ND1-CG 3.83Å; H254-H278 AromaticContact ND1-ND1 3.01Å; H254-H278 PolarHBondContact ND1-ND1 3.49Å; H254-H278 WeakPolarHBondContact O-CB 3.39Å; H254-M281 WeakPolarHBondContact NE2-CG 3.27Å; H254-T282 VanDerWaalsContact CB-OG1 3.29Å; H254-T282 WeakPolarHBondContact CB-OG1 3.45Å |
| 255 | Y | 92.5 | Very high | 90 | Very high | 13 Ų | 13 | 19.6 Ų | 19.6 | 5% | 0.051 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.9 | -49.2 | 176.1 | -179.8 | -99.6 | 0 | 0 | 0 | 112.3 | C251 Q252 V253 G258 A259 F279 T282 L297 L302 | C251-Y255 PolarHBondContact O-N 2.92Å; C251-Y255 VanDerWaalsContact O-N 3.12Å; Q252-Y255 WeakPolarHBondContact O-CB 3.47Å; Q252-Y255 PolarHBondContact O-N 3.44Å; V253-Y255 VanDerWaalsContact C-N 3.33Å; V253-Y255 PolarHBondContact O-N 2.96Å; Y255-G258 PolarHBondContact O-N 2.98Å; Y255-A259 PolarHBondContact O-N 3.42Å; Y255-F279 HydrophobicContact CD2-CE1 4.42Å; Y255-T282 HydrophobicContact CD2-CG2 4.33Å; Y255-T282 PolarHBondContact N-OG1 2.97Å; Y255-L297 HydrophobicContact CD1-CD2 3.55Å; Y255-L297 HydrophobicContact CD2-CD2 4.12Å; Y255-L297 HydrophobicContact CE1-CD2 4.13Å; Y255-L297 HydrophobicContact CG-CD2 3.53Å; Y255-L302 HydrophobicContact CD2-CB 4.4Å; Y255-L302 HydrophobicContact CD2-CD1 4.03Å; Y255-L302 HydrophobicContact CE2-CB 3.93Å; Y255-L302 HydrophobicContact CE2-CD1 4.25Å |
| 256 | D | 93 | Very high | 89.6 | Confident | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.011 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.5 | -41.7 | -177.9 | -62.7 | -31.1 | 0 | 0 | 0 | 111.3 | R149 R153 Q252 V253 A259 I260 | R149-D256 IonicContact CZ-OD2 3.36Å; R149-D256 IonicContact NE-OD2 3.61Å; R149-D256 PolarHBondContact NE-OD2 2.85Å; R149-D256 IonicContact NH2-OD2 3.68Å; R149-D256 PolarHBondContact NH2-OD2 3.21Å; R153-D256 VanDerWaalsContact CD-OD1 3.3Å; R153-D256 WeakPolarHBondContact CD-OD1 3.46Å; R153-D256 HydrophobicContact CG-CB 4.21Å; R153-D256 WeakPolarHBondContact CG-OD1 3.32Å; R153-D256 IonicContact CZ-OD1 2.95Å; R153-D256 IonicContact NE-OD1 2.75Å; R153-D256 IonicContact NH1-OD1 3.79Å; R153-D256 PolarHBondContact NH1-OD1 2.94Å; Q252-D256 VanDerWaalsContact O-CG 3.31Å; Q252-D256 PolarHBondContact O-N 2.89Å; V253-D256 PolarHBondContact O-N 3.18Å; D256-A259 PolarHBondContact O-N 3.33Å; D256-I260 PolarHBondContact O-N 3.41Å |
| 257 | L | 93.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.1 | -41.1 | 173.4 | -75.3 | 175.5 | 0 | 0 | 0 | 112.3 | V200 L203 D204 L207 V253 A259 I260 F261 | V200-L257 HydrophobicContact CB-CD2 4.27Å; V200-L257 HydrophobicContact CG1-CD2 3.95Å; V200-L257 HydrophobicContact CG2-CD2 4.1Å; L203-L257 HydrophobicContact CB-CD1 4.16Å; L203-L257 HydrophobicContact CB-CD2 3.96Å; L203-L257 HydrophobicContact CB-CG 4.16Å; L203-L257 HydrophobicContact CD1-CD2 4.18Å; L203-L257 HydrophobicContact CD1-CG 4.44Å; D204-L257 WeakPolarHBondContact OD1-CD1 3.38Å; L207-L257 HydrophobicContact CD1-CD1 3.75Å; V253-L257 HydrophobicContact CG1-CD1 3.81Å; V253-L257 HydrophobicContact CG1-CG 4.26Å; V253-L257 VanDerWaalsContact O-CB 3.31Å; V253-L257 WeakPolarHBondContact O-CB 3.46Å; V253-L257 WeakPolarHBondContact O-CG 3.48Å; V253-L257 PolarHBondContact O-N 2.93Å; L257-A259 VanDerWaalsContact C-N 3.3Å; L257-A259 PolarHBondContact O-N 2.92Å; L257-I260 WeakPolarHBondContact O-CG2 3.29Å; L257-I260 PolarHBondContact O-N 3.4Å; L257-F261 WeakPolarHBondContact O-CD2 3.38Å; L257-F261 PolarHBondContact O-N 3.4Å |
| 258 | G | 92.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.6 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | H254 Y255 F261 F262 A275 F279 | H254-G258 PolarHBondContact O-N 3.49Å; Y255-G258 PolarHBondContact O-N 2.98Å; G258-F261 PolarHBondContact O-N 3.13Å; G258-F262 WeakPolarHBondContact O-CB 3.41Å; G258-F262 PolarHBondContact O-N 3.26Å; G258-A275 WeakPolarHBondContact O-CB 3.5Å; G258-F279 VanDerWaalsContact O-CZ 3.31Å; G258-F279 WeakPolarHBondContact O-CZ 3.37Å |
| 259 | A | 92 | Very high | 89.4 | Confident | 7 Ų | 7 | 35.4 Ų | 35.4 | 6% | 0.058 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.2 | -42.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | V156 Y255 D256 L257 F262 Q263 Y305 | V156-A259 HydrophobicContact CG1-CB 4.2Å; V156-A259 HydrophobicContact CG2-CB 4.17Å; Y255-A259 PolarHBondContact O-N 3.42Å; D256-A259 PolarHBondContact O-N 3.33Å; L257-A259 VanDerWaalsContact C-N 3.3Å; L257-A259 PolarHBondContact O-N 2.92Å; A259-F262 WeakPolarHBondContact O-CB 3.5Å; A259-F262 PolarHBondContact O-N 2.69Å; A259-Q263 PolarHBondContact O-N 3.25Å; A259-Q263 VanDerWaalsContact O-N 3.1Å; A259-Y305 HydrophobicContact CB-CE2 4.41Å |
| 260 | I | 92.9 | Very high | 89.4 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.4 | -38.4 | 177.9 | -170.3 | 66.9 | 0 | 0 | 0 | 112.8 | I152 I155 V156 V200 D256 L257 F262 Q263 R264 | I152-I260 HydrophobicContact CD1-CG1 4.29Å; I152-I260 HydrophobicContact CG2-CB 3.59Å; I152-I260 HydrophobicContact CG2-CG1 4.16Å; I152-I260 HydrophobicContact CG2-CG2 3.71Å; I155-I260 HydrophobicContact CB-CD1 4.48Å; I155-I260 HydrophobicContact CG2-CD1 3.88Å; V156-I260 HydrophobicContact CG2-CB 4.14Å; V156-I260 HydrophobicContact CG2-CD1 4.02Å; V200-I260 HydrophobicContact CG2-CG2 4.06Å; D256-I260 PolarHBondContact O-N 3.41Å; L257-I260 WeakPolarHBondContact O-CG2 3.29Å; L257-I260 PolarHBondContact O-N 3.4Å; I260-F262 VanDerWaalsContact C-N 3.29Å; I260-F262 PolarHBondContact O-N 2.97Å; I260-Q263 PolarHBondContact O-N 3.4Å; I260-R264 WeakPolarHBondContact O-CG 3.38Å; I260-R264 PolarHBondContact O-N 2.97Å |
| 261 | F | 93.1 | Very high | 89.3 | Confident | 17 Ų | 17 | 37.8 Ų | 37.8 | 8% | 0.075 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.7 | -35.2 | 173.6 | -78.6 | -59.4 | 0 | 0 | 0 | 111.6 | V200 L257 G258 R264 G265 A271 K274 A275 H278 | V200-F261 HydrophobicContact CG1-CE2 4.38Å; V200-F261 HydrophobicContact CG1-CZ 3.96Å; L257-F261 WeakPolarHBondContact O-CD2 3.38Å; L257-F261 PolarHBondContact O-N 3.4Å; G258-F261 PolarHBondContact O-N 3.13Å; F261-R264 PolarHBondContact O-N 3.47Å; F261-G265 PolarHBondContact O-N 3.33Å; F261-A271 HydrophobicContact CD1-CB 4.36Å; F261-A271 WeakPolarHBondContact O-CB 3.22Å; F261-K274 HydrophobicContact CB-CB 4.41Å; F261-K274 HydrophobicContact CD1-CB 4.23Å; F261-K274 HydrophobicContact CD1-CD 4.2Å; F261-K274 HydrophobicContact CD2-CB 4.19Å; F261-K274 HydrophobicContact CE1-CD 3.9Å; F261-K274 HydrophobicContact CG-CB 4.04Å; F261-K274 HydrophobicContact CZ-CD 4.19Å; F261-A275 HydrophobicContact CB-CB 3.75Å; F261-H278 AromaticContact CD2-CD2 3.75Å; F261-H278 AromaticContact CD2-NE2 3.89Å; F261-H278 AromaticContact CE2-CD2 3.98Å; F261-H278 AromaticContact CE2-NE2 3.6Å |
| 262 | F | 91.9 | Very high | 89.2 | Confident | 42 Ų | 42 | 39.1 Ų | 39.1 | 18% | 0.184 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 174.3 | -174.2 | -94.5 | 0 | 0 | 0 | 111.7 | G258 A259 I260 R264 G265 Y272 A275 F279 Y305 A308 C309 L312 | G258-F262 WeakPolarHBondContact O-CB 3.41Å; G258-F262 PolarHBondContact O-N 3.26Å; A259-F262 WeakPolarHBondContact O-CB 3.5Å; A259-F262 PolarHBondContact O-N 2.69Å; I260-F262 VanDerWaalsContact C-N 3.29Å; I260-F262 PolarHBondContact O-N 2.97Å; F262-R264 VanDerWaalsContact C-N 3.35Å; F262-R264 PolarHBondContact O-N 2.93Å; F262-G265 PolarHBondContact O-N 3.27Å; F262-Y272 AromaticContact CD2-CD1 3.92Å; F262-Y272 HydrophobicContact CD2-CD1 3.92Å; F262-Y272 AromaticContact CD2-CE1 3.98Å; F262-Y272 HydrophobicContact CD2-CE1 3.98Å; F262-Y272 HydrophobicContact CE2-CD1 4.16Å; F262-Y272 HydrophobicContact CE2-CE1 4.01Å; F262-Y272 HydrophobicContact CG-CE1 4.42Å; F262-Y272 HydrophobicContact CZ-CE1 4.46Å; F262-Y272 VanDerWaalsContact O-CE1 3.3Å; F262-Y272 WeakPolarHBondContact O-CE1 3.41Å; F262-A275 HydrophobicContact CB-CB 4.04Å; F262-F279 HydrophobicContact CB-CE2 4.21Å; F262-F279 HydrophobicContact CB-CZ 4.44Å; F262-Y305 HydrophobicContact CB-CD1 4.4Å; F262-Y305 HydrophobicContact CB-CE1 4.49Å; F262-Y305 AromaticContact CD1-CD1 3.55Å; F262-Y305 HydrophobicContact CD1-CD1 3.55Å; F262-Y305 AromaticContact CD1-CE1 3.41Å; F262-Y305 HydrophobicContact CD1-CE1 3.41Å; F262-Y305 VanDerWaalsContact CD1-CE1 3.41Å; F262-Y305 HydrophobicContact CD2-CD1 4.09Å; F262-Y305 AromaticContact CE1-CD1 3.72Å; F262-Y305 HydrophobicContact CE1-CD1 3.72Å; F262-Y305 AromaticContact CE1-CE1 3.73Å; F262-Y305 HydrophobicContact CE1-CE1 3.73Å; F262-Y305 HydrophobicContact CE2-CD1 4.24Å; F262-Y305 AromaticContact CG-CD1 3.73Å; F262-Y305 HydrophobicContact CG-CD1 3.73Å; F262-Y305 AromaticContact CG-CE1 3.96Å; F262-Y305 HydrophobicContact CG-CE1 3.96Å; F262-Y305 HydrophobicContact CZ-CD1 4.06Å; F262-A308 HydrophobicContact CE2-CB 3.7Å; F262-A308 HydrophobicContact CZ-CB 3.7Å; F262-C309 WeakPolarHBondContact CD2-SG 3.37Å; F262-L312 HydrophobicContact CE2-CD1 4.36Å |
| 263 | Q | 89.1 | Confident | 89.1 | Confident | 59 Ų | 59 | 43.7 Ų | 43.7 | 28% | 0.276 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.8 | -42.2 | 175.1 | -174.9 | -175.8 | 1.3 | 0 | 0 | 112 | A259 I260 G265 | A259-Q263 PolarHBondContact O-N 3.25Å; A259-Q263 VanDerWaalsContact O-N 3.1Å; I260-Q263 PolarHBondContact O-N 3.4Å; Q263-G265 VanDerWaalsContact C-N 3.26Å; Q263-G265 PolarHBondContact O-N 2.95Å |
| 264 | R | 88.6 | Confident | 88.9 | Confident | 77 Ų | 77 | 49.1 Ų | 49.1 | 29% | 0.291 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.6 | -23.7 | 176.6 | -71.3 | 179.1 | -176.7 | 178.1 | 4.4 | 113.4 | A196 I260 F261 F262 C266 T267 D268 A271 | A196-R264 PolarHBondContact O-NH2 3.37Å; I260-R264 WeakPolarHBondContact O-CG 3.38Å; I260-R264 PolarHBondContact O-N 2.97Å; F261-R264 PolarHBondContact O-N 3.47Å; F262-R264 VanDerWaalsContact C-N 3.35Å; F262-R264 PolarHBondContact O-N 2.93Å; R264-C266 PolarHBondContact O-N 3.46Å; R264-C266 VanDerWaalsContact O-N 3.13Å; R264-T267 PolarHBondContact O-N 2.91Å; R264-T267 PolarHBondContact O-OG1 2.91Å; R264-D268 PolarHBondContact O-N 2.84Å; R264-A271 HydrophobicContact CB-CB 4.14Å |
| 265 | G | 83.5 | Confident | 88.9 | Confident | 3 Ų | 3 | 48 Ų | 48 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -29.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F261 F262 Q263 T267 D268 Y272 | F261-G265 PolarHBondContact O-N 3.33Å; F262-G265 PolarHBondContact O-N 3.27Å; Q263-G265 VanDerWaalsContact C-N 3.26Å; Q263-G265 PolarHBondContact O-N 2.95Å; G265-T267 PolarHBondContact O-N 3.17Å; G265-D268 WeakPolarHBondContact CA-O 3.4Å; G265-D268 CarbonylContact O-C 3.47Å; G265-Y272 VanDerWaalsContact C-OH 3.27Å; G265-Y272 VanDerWaalsContact CA-CZ 3.43Å; G265-Y272 WeakPolarHBondContact O-CE2 3.21Å |
| 266 | C | 78.5 | Confident | 88.7 | Confident | 102 Ų | 102 | 48.6 Ų | 48.6 | 69% | 0.689 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -28.4 | 176.8 | -64.6 | 0 | 0 | 0 | 0 | 112.8 | R264 Y272 | R264-C266 PolarHBondContact O-N 3.46Å; R264-C266 VanDerWaalsContact O-N 3.13Å; C266-Y272 WeakPolarHBondContact CA-OH 3.46Å; C266-Y272 PolarHBondContact N-OH 2.87Å; C266-Y272 VanDerWaalsContact N-OH 3.14Å; C266-Y272 PolarHBondContact SG-OH 2.65Å; C266-Y272 VanDerWaalsContact SG-OH 3.34Å |
| 267 | T | 83.5 | Confident | 88.6 | Confident | 133 Ų | 133 | 51.7 Ų | 51.7 | 82% | 0.816 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -29.5 | 178.7 | 49.6 | 0 | 0 | 0 | 0 | 113.2 | R264 G265 | R264-T267 PolarHBondContact O-N 2.91Å; R264-T267 PolarHBondContact O-OG1 2.91Å; G265-T267 PolarHBondContact O-N 3.17Å |
| 268 | D | 85.9 | Confident | 88.5 | Confident | 83 Ų | 83 | 52.9 Ų | 52.9 | 44% | 0.444 | 27% | 0.272 | S | S | . | . | trans | -130.8 | 94.3 | -176.7 | 179.3 | 31.6 | 0 | 0 | 0 | 109.9 | R264 G265 P270 A271 | R264-D268 PolarHBondContact O-N 2.84Å; G265-D268 WeakPolarHBondContact CA-O 3.4Å; G265-D268 CarbonylContact O-C 3.47Å; D268-P270 VanDerWaalsContact OD1-CD 3.29Å; D268-P270 WeakPolarHBondContact OD1-CD 3.35Å; D268-A271 HydrophobicContact CB-CB 4.35Å; D268-A271 WeakPolarHBondContact O-CB 3.44Å; D268-A271 PolarHBondContact O-N 2.78Å | ||
| 269 | Q | 81.5 | Confident | 88.5 | Confident | 147 Ų | 147 | 53 Ų | 53 | 69% | 0.687 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -39 | -171.7 | -163.7 | 178.7 | 5.9 | 0 | 0 | 114.6 | A271 Y272 | Q269-A271 PolarHBondContact O-N 3.46Å; Q269-Y272 HydrophobicContact CG-CD2 4.43Å; Q269-Y272 PolarHBondContact O-N 2.8Å; Q269-Y272 VanDerWaalsContact O-N 3.14Å |
| 270 | P | 87.7 | Confident | 88.3 | Confident | 71 Ų | 71 | 55.6 Ų | 55.6 | 46% | 0.461 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -25.8 | 169.4 | -28.4 | 33.4 | 0 | 0 | 0 | 115.4 | D268 Y272 Q273 K274 | D268-P270 VanDerWaalsContact OD1-CD 3.29Å; D268-P270 WeakPolarHBondContact OD1-CD 3.35Å; P270-Y272 PolarHBondContact O-N 3.26Å; P270-Q273 WeakPolarHBondContact O-CB 3.38Å; P270-Q273 PolarHBondContact O-N 3.26Å; P270-K274 PolarHBondContact O-N 3.46Å |
| 271 | A | 88.9 | Confident | 88.1 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.2 | -26.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F261 R264 D268 Q269 Q273 K274 A275 | F261-A271 HydrophobicContact CD1-CB 4.36Å; F261-A271 WeakPolarHBondContact O-CB 3.22Å; R264-A271 HydrophobicContact CB-CB 4.14Å; D268-A271 HydrophobicContact CB-CB 4.35Å; D268-A271 WeakPolarHBondContact O-CB 3.44Å; D268-A271 PolarHBondContact O-N 2.78Å; Q269-A271 PolarHBondContact O-N 3.46Å; A271-Q273 VanDerWaalsContact C-N 3.25Å; A271-Q273 PolarHBondContact O-N 3.5Å; A271-K274 PolarHBondContact O-N 3.06Å; A271-A275 WeakPolarHBondContact O-CB 3.31Å; A271-A275 PolarHBondContact O-N 3.49Å |
| 272 | Y | 87.6 | Confident | 88 | Confident | 27 Ų | 27 | 58.4 Ų | 58.4 | 11% | 0.106 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.7 | -29.9 | 172.6 | -70.1 | -56.2 | 0 | 0 | 0 | 112.9 | F262 G265 C266 Q269 P270 R276 L312 | F262-Y272 AromaticContact CD2-CD1 3.92Å; F262-Y272 HydrophobicContact CD2-CD1 3.92Å; F262-Y272 AromaticContact CD2-CE1 3.98Å; F262-Y272 HydrophobicContact CD2-CE1 3.98Å; F262-Y272 HydrophobicContact CE2-CD1 4.16Å; F262-Y272 HydrophobicContact CE2-CE1 4.01Å; F262-Y272 HydrophobicContact CG-CE1 4.42Å; F262-Y272 HydrophobicContact CZ-CE1 4.46Å; F262-Y272 VanDerWaalsContact O-CE1 3.3Å; F262-Y272 WeakPolarHBondContact O-CE1 3.41Å; G265-Y272 VanDerWaalsContact C-OH 3.27Å; G265-Y272 VanDerWaalsContact CA-CZ 3.43Å; G265-Y272 WeakPolarHBondContact O-CE2 3.21Å; C266-Y272 WeakPolarHBondContact CA-OH 3.46Å; C266-Y272 PolarHBondContact N-OH 2.87Å; C266-Y272 VanDerWaalsContact N-OH 3.14Å; C266-Y272 PolarHBondContact SG-OH 2.65Å; C266-Y272 VanDerWaalsContact SG-OH 3.34Å; Q269-Y272 HydrophobicContact CG-CD2 4.43Å; Q269-Y272 PolarHBondContact O-N 2.8Å; Q269-Y272 VanDerWaalsContact O-N 3.14Å; P270-Y272 PolarHBondContact O-N 3.26Å; Y272-R276 WeakPolarHBondContact O-CB 3.45Å; Y272-R276 PolarHBondContact O-N 3.29Å; Y272-L312 HydrophobicContact CD1-CD1 3.85Å; Y272-L312 HydrophobicContact CD2-CB 4.36Å; Y272-L312 HydrophobicContact CD2-CD1 4.21Å; Y272-L312 HydrophobicContact CE1-CD1 3.62Å; Y272-L312 HydrophobicContact CE2-CD1 3.97Å; Y272-L312 HydrophobicContact CG-CB 4.39Å; Y272-L312 HydrophobicContact CG-CD1 4.15Å |
| 273 | Q | 87.8 | Confident | 87.7 | Confident | 105 Ų | 105 | 60.4 Ų | 60.4 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.9 | -45.4 | 175.3 | -63.2 | 176 | -12 | 0 | 0 | 110.9 | P270 A271 A275 R276 D277 T313 | P270-Q273 WeakPolarHBondContact O-CB 3.38Å; P270-Q273 PolarHBondContact O-N 3.26Å; A271-Q273 VanDerWaalsContact C-N 3.25Å; A271-Q273 PolarHBondContact O-N 3.5Å; Q273-A275 PolarHBondContact O-N 2.93Å; Q273-R276 WeakPolarHBondContact O-CB 3.26Å; Q273-R276 PolarHBondContact O-N 3.44Å; Q273-D277 PolarHBondContact O-N 3.07Å; Q273-T313 HydrophobicContact CB-CG2 4.45Å; Q273-T313 HydrophobicContact CG-CG2 3.77Å |
| 274 | K | 89 | Confident | 87.7 | Confident | 114 Ų | 114 | 62 Ų | 62 | 50% | 0.496 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60 | -47.6 | 174.4 | -65.5 | -178.2 | 179.5 | 176.7 | 0 | 111.2 | F261 P270 A271 R276 D277 H278 | F261-K274 HydrophobicContact CB-CB 4.41Å; F261-K274 HydrophobicContact CD1-CB 4.23Å; F261-K274 HydrophobicContact CD1-CD 4.2Å; F261-K274 HydrophobicContact CD2-CB 4.19Å; F261-K274 HydrophobicContact CE1-CD 3.9Å; F261-K274 HydrophobicContact CG-CB 4.04Å; F261-K274 HydrophobicContact CZ-CD 4.19Å; P270-K274 PolarHBondContact O-N 3.46Å; A271-K274 PolarHBondContact O-N 3.06Å; K274-R276 VanDerWaalsContact C-N 3.3Å; K274-R276 PolarHBondContact O-N 3.15Å; K274-D277 PolarHBondContact O-N 2.99Å; K274-D277 VanDerWaalsContact O-N 3.15Å; K274-H278 PolarHBondContact O-CD2 3.1Å; K274-H278 PolarHBondContact O-N 3.14Å |
| 275 | A | 92.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.8 | -47.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G258 F261 F262 A271 Q273 D277 H278 F279 | G258-A275 WeakPolarHBondContact O-CB 3.5Å; F261-A275 HydrophobicContact CB-CB 3.75Å; F262-A275 HydrophobicContact CB-CB 4.04Å; A271-A275 WeakPolarHBondContact O-CB 3.31Å; A271-A275 PolarHBondContact O-N 3.49Å; Q273-A275 PolarHBondContact O-N 2.93Å; A275-D277 PolarHBondContact O-N 3.08Å; A275-H278 PolarHBondContact O-N 3.03Å; A275-F279 HydrophobicContact CB-CD2 4.48Å; A275-F279 HydrophobicContact CB-CE2 4.12Å; A275-F279 WeakPolarHBondContact O-CD2 3.09Å; A275-F279 WeakPolarHBondContact O-CG 2.95Å; A275-F279 PolarHBondContact O-N 3.4Å |
| 276 | R | 89.1 | Confident | 87.7 | Confident | 26 Ų | 26 | 60.9 Ų | 60.9 | 10% | 0.098 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55.8 | -50.4 | 175.6 | -174.2 | -165.4 | 67.7 | 177.9 | 4 | 111.7 | Y272 Q273 K274 H278 F279 R280 W306 C309 D315 | Y272-R276 WeakPolarHBondContact O-CB 3.45Å; Y272-R276 PolarHBondContact O-N 3.29Å; Q273-R276 WeakPolarHBondContact O-CB 3.26Å; Q273-R276 PolarHBondContact O-N 3.44Å; K274-R276 VanDerWaalsContact C-N 3.3Å; K274-R276 PolarHBondContact O-N 3.15Å; R276-H278 VanDerWaalsContact C-N 3.32Å; R276-H278 PolarHBondContact O-N 2.97Å; R276-F279 PolarHBondContact O-N 3.36Å; R276-R280 PolarHBondContact O-N 3.31Å; R276-W306 HydrophobicContact CG-CE3 4.27Å; R276-W306 HydrophobicContact CG-CH2 4.33Å; R276-W306 HydrophobicContact CG-CZ3 3.65Å; R276-W306 WeakPolarHBondContact O-CZ3 3.25Å; R276-C309 HydrophobicContact CB-CB 3.88Å; R276-C309 HydrophobicContact CG-CB 4.21Å; R276-D315 IonicContact CZ-OD2 3.86Å; R276-D315 VanDerWaalsContact NH1-CG 3.34Å; R276-D315 IonicContact NH1-OD2 2.9Å; R276-D315 PolarHBondContact NH1-OD2 3.44Å; R276-D315 IonicContact NH2-OD2 3.84Å |
| 277 | D | 90.4 | Very high | 88 | Confident | 68 Ų | 68 | 63.8 Ų | 63.8 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.2 | -37.4 | -175.6 | -63.8 | -23 | 0 | 0 | 0 | 111.6 | Q273 K274 A275 R280 M281 | Q273-D277 PolarHBondContact O-N 3.07Å; K274-D277 PolarHBondContact O-N 2.99Å; K274-D277 VanDerWaalsContact O-N 3.15Å; A275-D277 PolarHBondContact O-N 3.08Å; D277-R280 WeakPolarHBondContact O-CB 3.48Å; D277-R280 PolarHBondContact O-N 3.29Å; D277-R280 IonicContact OD1-CZ 3.95Å; D277-R280 IonicContact OD1-NH1 3.25Å; D277-R280 PolarHBondContact OD1-NH1 3.35Å; D277-M281 PolarHBondContact O-N 3.05Å |
| 278 | H | 92.6 | Very high | 87.9 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 12% | 0.116 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 171.4 | -75.2 | -78.7 | 0 | 0 | 0 | 112.5 | D204 H254 F261 K274 A275 R276 R280 M281 T282 | D204-H278 IonicContact OD1-CE1 3.01Å; H254-H278 AromaticContact CE1-ND1 3.71Å; H254-H278 AromaticContact ND1-CE1 3.98Å; H254-H278 AromaticContact ND1-CG 3.83Å; H254-H278 AromaticContact ND1-ND1 3.01Å; H254-H278 PolarHBondContact ND1-ND1 3.49Å; H254-H278 WeakPolarHBondContact O-CB 3.39Å; F261-H278 AromaticContact CD2-CD2 3.75Å; F261-H278 AromaticContact CD2-NE2 3.89Å; F261-H278 AromaticContact CE2-CD2 3.98Å; F261-H278 AromaticContact CE2-NE2 3.6Å; K274-H278 PolarHBondContact O-CD2 3.1Å; K274-H278 PolarHBondContact O-N 3.14Å; A275-H278 PolarHBondContact O-N 3.03Å; R276-H278 VanDerWaalsContact C-N 3.32Å; R276-H278 PolarHBondContact O-N 2.97Å; H278-R280 VanDerWaalsContact C-N 3.34Å; H278-R280 PolarHBondContact O-N 3.28Å; H278-M281 PolarHBondContact O-N 3.41Å; H278-T282 PolarHBondContact O-N 2.94Å; H278-T282 PolarHBondContact O-OG1 3.31Å |
| 279 | F | 92 | Very high | 87.7 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.2 | -33.4 | 175.1 | -65.9 | -47.2 | 0 | 0 | 0 | 113.1 | Y255 G258 F262 A275 R276 T282 K283 L302 Y305 W306 | Y255-F279 HydrophobicContact CD2-CE1 4.42Å; G258-F279 VanDerWaalsContact O-CZ 3.31Å; G258-F279 WeakPolarHBondContact O-CZ 3.37Å; F262-F279 HydrophobicContact CB-CE2 4.21Å; F262-F279 HydrophobicContact CB-CZ 4.44Å; A275-F279 HydrophobicContact CB-CD2 4.48Å; A275-F279 HydrophobicContact CB-CE2 4.12Å; A275-F279 WeakPolarHBondContact O-CD2 3.09Å; A275-F279 WeakPolarHBondContact O-CG 2.95Å; A275-F279 PolarHBondContact O-N 3.4Å; R276-F279 PolarHBondContact O-N 3.36Å; F279-T282 WeakPolarHBondContact O-CB 3.5Å; F279-T282 PolarHBondContact O-N 3.03Å; F279-K283 PolarHBondContact O-N 3.32Å; F279-K283 VanDerWaalsContact O-N 3.1Å; F279-L302 HydrophobicContact CB-CD1 3.92Å; F279-L302 HydrophobicContact CD1-CD1 3.46Å; F279-L302 VanDerWaalsContact CD1-CD1 3.46Å; F279-L302 HydrophobicContact CE1-CD1 4.26Å; F279-L302 HydrophobicContact CG-CD1 3.97Å; F279-Y305 AromaticContact CE1-CD2 3.98Å; F279-Y305 HydrophobicContact CE1-CD2 3.98Å; F279-Y305 HydrophobicContact CE1-CG 4.28Å; F279-Y305 VanDerWaalsContact CE2-CB 3.48Å; F279-Y305 HydrophobicContact CE2-CD1 4.47Å; F279-Y305 HydrophobicContact CE2-CD2 4.46Å; F279-Y305 AromaticContact CE2-CG 3.96Å; F279-Y305 HydrophobicContact CE2-CG 3.96Å; F279-Y305 HydrophobicContact CZ-CD1 4.25Å; F279-Y305 AromaticContact CZ-CD2 3.67Å; F279-Y305 HydrophobicContact CZ-CD2 3.67Å; F279-Y305 HydrophobicContact CZ-CE2 4.36Å; F279-Y305 AromaticContact CZ-CG 3.6Å; F279-Y305 HydrophobicContact CZ-CG 3.6Å; F279-W306 HydrophobicContact CB-CE3 4.06Å |
| 280 | R | 88.7 | Confident | 86.6 | Confident | 63 Ų | 63 | 62.5 Ų | 62.5 | 24% | 0.238 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60 | -53.1 | 172.3 | -172.6 | -170.3 | -75.9 | 123.4 | -5.4 | 110 | R276 D277 H278 T282 K283 E284 W306 | R276-R280 PolarHBondContact O-N 3.31Å; D277-R280 WeakPolarHBondContact O-CB 3.48Å; D277-R280 PolarHBondContact O-N 3.29Å; D277-R280 IonicContact OD1-CZ 3.95Å; D277-R280 IonicContact OD1-NH1 3.25Å; D277-R280 PolarHBondContact OD1-NH1 3.35Å; H278-R280 VanDerWaalsContact C-N 3.34Å; H278-R280 PolarHBondContact O-N 3.28Å; R280-T282 VanDerWaalsContact C-N 3.29Å; R280-T282 PolarHBondContact O-N 3.32Å; R280-K283 WeakPolarHBondContact O-CB 3.37Å; R280-K283 PolarHBondContact O-N 2.85Å; R280-K283 VanDerWaalsContact O-N 3.11Å; R280-E284 PolarHBondContact O-N 3.43Å; R280-W306 HydrophobicContact CB-CH2 3.8Å; R280-W306 HydrophobicContact CB-CZ3 3.66Å; R280-W306 HydrophobicContact CG-CH2 4.01Å; R280-W306 HydrophobicContact CG-CZ3 4.38Å |
| 281 | M | 89.4 | Confident | 85.2 | Confident | 80 Ų | 80 | 67.7 Ų | 67.7 | 39% | 0.394 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 179.9 | -169.3 | 64.1 | 83.7 | 0 | 0 | 111.8 | H254 D277 H278 K283 E284 L285 | H254-M281 WeakPolarHBondContact NE2-CG 3.27Å; D277-M281 PolarHBondContact O-N 3.05Å; H278-M281 PolarHBondContact O-N 3.41Å; M281-K283 VanDerWaalsContact C-N 3.34Å; M281-K283 PolarHBondContact O-N 2.95Å; M281-E284 PolarHBondContact O-N 3.33Å; M281-L285 HydrophobicContact CG-CD1 3.98Å; M281-L285 HydrophobicContact CG-CG 4.35Å; M281-L285 WeakPolarHBondContact O-CB 3.15Å; M281-L285 WeakPolarHBondContact O-CG 3.47Å; M281-L285 PolarHBondContact O-N 3.1Å; M281-L285 HydrophobicContact SD-CG 4.44Å |
| 282 | T | 90.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -55.4 | -48.5 | 173.4 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | H254 Y255 H278 F279 R280 L285 L286 L297 L302 | H254-T282 VanDerWaalsContact CB-OG1 3.29Å; H254-T282 WeakPolarHBondContact CB-OG1 3.45Å; Y255-T282 HydrophobicContact CD2-CG2 4.33Å; Y255-T282 PolarHBondContact N-OG1 2.97Å; H278-T282 PolarHBondContact O-N 2.94Å; H278-T282 PolarHBondContact O-OG1 3.31Å; F279-T282 WeakPolarHBondContact O-CB 3.5Å; F279-T282 PolarHBondContact O-N 3.03Å; R280-T282 VanDerWaalsContact C-N 3.29Å; R280-T282 PolarHBondContact O-N 3.32Å; T282-L285 PolarHBondContact O-N 2.86Å; T282-L286 VanDerWaalsContact O-CB 3.29Å; T282-L286 WeakPolarHBondContact O-CB 3.46Å; T282-L286 PolarHBondContact O-N 3.14Å; T282-L297 HydrophobicContact CG2-CD1 4Å; T282-L302 HydrophobicContact CG2-CD1 4.39Å; T282-L302 HydrophobicContact CG2-CD2 3.85Å |
| 283 | K | 86.6 | Confident | 82.7 | Confident | 84 Ų | 84 | 72.6 Ų | 72.6 | 37% | 0.365 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.5 | -36 | -179 | -169.6 | -179.5 | -178.2 | -176.5 | 0 | 112.6 | F279 R280 M281 K287 | F279-K283 PolarHBondContact O-N 3.32Å; F279-K283 VanDerWaalsContact O-N 3.1Å; R280-K283 WeakPolarHBondContact O-CB 3.37Å; R280-K283 PolarHBondContact O-N 2.85Å; R280-K283 VanDerWaalsContact O-N 3.11Å; M281-K283 VanDerWaalsContact C-N 3.34Å; M281-K283 PolarHBondContact O-N 2.95Å; K283-K287 WeakPolarHBondContact O-CG 3.31Å; K283-K287 PolarHBondContact O-N 2.8Å |
| 284 | E | 88.1 | Confident | 81.6 | Confident | 92 Ų | 92 | 68.5 Ų | 68.5 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.7 | -43.6 | 176.7 | -72.8 | 176.2 | -167.8 | 0 | 0 | 112.2 | R280 M281 K287 | R280-E284 PolarHBondContact O-N 3.43Å; M281-E284 PolarHBondContact O-N 3.33Å; E284-K287 PolarHBondContact O-N 2.74Å |
| 285 | L | 86.8 | Confident | 80.8 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 176.1 | -70.1 | 172 | 0 | 0 | 0 | 111.5 | D247 H250 C251 M281 T282 K287 K288 L289 | D247-L285 HydrophobicContact CB-CD2 4.42Å; H250-L285 HydrophobicContact CB-CD1 3.82Å; C251-L285 HydrophobicContact CB-CB 3.97Å; C251-L285 HydrophobicContact CB-CD1 4.35Å; M281-L285 HydrophobicContact CG-CD1 3.98Å; M281-L285 HydrophobicContact CG-CG 4.35Å; M281-L285 WeakPolarHBondContact O-CB 3.15Å; M281-L285 WeakPolarHBondContact O-CG 3.47Å; M281-L285 PolarHBondContact O-N 3.1Å; M281-L285 HydrophobicContact SD-CG 4.44Å; T282-L285 PolarHBondContact O-N 2.86Å; L285-K287 PolarHBondContact O-N 2.86Å; L285-K288 WeakPolarHBondContact O-CB 3.35Å; L285-K288 PolarHBondContact O-N 3.13Å; L285-L289 WeakPolarHBondContact O-CG 3.38Å |
| 286 | L | 85.2 | Confident | 79.9 | Confident | 47 Ų | 47 | 69.1 Ų | 69.1 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.6 | -35 | 178.3 | -169.6 | 65.6 | 0 | 0 | 0 | 112.3 | T282 K288 L289 V295 E299 | T282-L286 VanDerWaalsContact O-CB 3.29Å; T282-L286 WeakPolarHBondContact O-CB 3.46Å; T282-L286 PolarHBondContact O-N 3.14Å; L286-K288 VanDerWaalsContact C-N 3.27Å; L286-K288 PolarHBondContact O-N 2.78Å; L286-L289 PolarHBondContact O-N 2.65Å; L286-V295 HydrophobicContact CD1-CG1 4.32Å; L286-E299 HydrophobicContact CD2-CG 4.33Å |
| 287 | K | 84.2 | Confident | 79.5 | Confident | 163 Ų | 163 | 69 Ų | 69 | 71% | 0.709 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -19.9 | 175.7 | -73.3 | 177.9 | -179.8 | -176.1 | 0 | 114.3 | K283 E284 L285 | K283-K287 WeakPolarHBondContact O-CG 3.31Å; K283-K287 PolarHBondContact O-N 2.8Å; E284-K287 PolarHBondContact O-N 2.74Å; L285-K287 PolarHBondContact O-N 2.86Å |
| 288 | K | 82.9 | Confident | 79 | Confident | 139 Ų | 139 | 68.6 Ų | 68.6 | 60% | 0.604 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -10.5 | -178.8 | -66.2 | 177.1 | -177 | 175 | 0 | 112.9 | L285 L286 | L285-K288 WeakPolarHBondContact O-CB 3.35Å; L285-K288 PolarHBondContact O-N 3.13Å; L286-K288 VanDerWaalsContact C-N 3.27Å; L286-K288 PolarHBondContact O-N 2.78Å |
| 289 | L | 80.8 | Confident | 78.5 | Confident | 36 Ų | 36 | 73.7 Ų | 73.7 | 19% | 0.188 | 36% | 0.362 | C | S | . | . | trans | -95.8 | 98.2 | -174 | -64.9 | 171.2 | 0 | 0 | 0 | 110.5 | D247 E248 C251 L285 L286 V295 | D247-L289 HydrophobicContact CB-CD2 4.22Å; E248-L289 HydrophobicContact CG-CD1 4.18Å; E248-L289 HydrophobicContact CG-CD2 3.73Å; C251-L289 HydrophobicContact CB-CD1 4.43Å; L285-L289 WeakPolarHBondContact O-CG 3.38Å; L286-L289 PolarHBondContact O-N 2.65Å; L289-V295 HydrophobicContact CD1-CG2 4.01Å | ||
| 290 | D | 58.9 | Low | 78.1 | Confident | 160 Ų | 160 | 82.4 Ų | 82.4 | 86% | 0.856 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -78.6 | -26.1 | -178.7 | -77.2 | -24.9 | 0 | 0 | 0 | 114.1 | ||
| 291 | Q | 58.6 | Low | 78 | Confident | 181 Ų | 181 | 83.8 Ų | 83.8 | 85% | 0.846 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -145.6 | 81 | 175.2 | -81 | -178.6 | -8.8 | 0 | 0 | 110.6 | V293 | Q291-V293 PolarHBondContact O-N 3.01Š|
| 292 | A | 61.3 | Low | 77.8 | Confident | 50 Ų | 50 | 80.6 Ų | 80.6 | 41% | 0.413 | 39% | 0.39 | S | S | . | . | trans | -74.3 | 124.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V295 | A292-V295 HydrophobicContact CB-CB 3.92Å; A292-V295 HydrophobicContact CB-CG2 4.19Å | ||
| 293 | V | 61.3 | Low | 77.5 | Confident | 81 Ų | 81 | 82.8 Ų | 82.8 | 49% | 0.491 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -94.5 | -21.5 | -179.8 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | E248 Q291 | E248-V293 PolarHBondContact OE1-N 3.3Å; Q291-V293 PolarHBondContact O-N 3.01Å |
| 294 | H | 65.8 | Low | 77.4 | Confident | 19 Ų | 19 | 80.6 Ų | 80.6 | 9% | 0.088 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -138.3 | 13.9 | -171.3 | -157.8 | -65.3 | 0 | 0 | 0 | 114.6 | K94 I244 Q252 | K94-H294 PolarHBondContact O-CE1 3.31Å; K94-H294 PolarHBondContact O-NE2 3Å; I244-H294 HydrophobicContact CD1-CB 4.16Å; I244-H294 WeakPolarHBondContact CD1-CD2 3.29Å; I244-H294 WeakPolarHBondContact CD1-NE2 3.41Å; I244-H294 HydrophobicContact CG1-CB 4.11Å; Q252-H294 PolarHBondContact NE2-O 3.24Å |
| 295 | V | 72.2 | Confident | 77.4 | Confident | 28 Ų | 28 | 77.2 Ų | 77.2 | 17% | 0.17 | 39% | 0.393 | C | S | . | . | trans | -103.5 | 118.2 | 176.2 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | E248 Q252 L286 L289 A292 L297 | E248-V295 HydrophobicContact CB-CG2 3.67Å; E248-V295 HydrophobicContact CG-CG2 3.72Å; Q252-V295 HydrophobicContact CG-CG1 4.29Å; Q252-V295 HydrophobicContact CG-CG2 4.46Å; L286-V295 HydrophobicContact CD1-CG1 4.32Å; L289-V295 HydrophobicContact CD1-CG2 4.01Å; A292-V295 HydrophobicContact CB-CB 3.92Å; A292-V295 HydrophobicContact CB-CG2 4.19Å; V295-L297 HydrophobicContact CG1-CD1 3.83Å; V295-L297 HydrophobicContact CG1-CG 3.9Å | ||
| 296 | H | 73.1 | Confident | 77.2 | Confident | 98 Ų | 98 | 77.7 Ų | 77.7 | 45% | 0.454 | 39% | 0.394 | S | S | . | . | trans | -129 | 113.9 | 169.9 | -165 | -78.7 | 0 | 0 | 0 | 107.8 | D98 | D98-H296 IonicContact OD2-CE1 2.67Å; D98-H296 IonicContact OD2-CG 2.57Å; D98-H296 IonicContact OD2-ND1 2.99Å; D98-H296 PolarHBondContact OD2-ND1 2.96Å | ||
| 297 | L | 79.9 | Confident | 76.9 | Confident | 23 Ų | 23 | 78.1 Ų | 78.1 | 12% | 0.12 | 40% | 0.397 | C | S | . | . | trans | -136.7 | 141.9 | -176.3 | -66.6 | 174.5 | 0 | 0 | 0 | 109.5 | Q252 Y255 T282 V295 E299 | Q252-L297 HydrophobicContact CG-CD2 4.36Å; Y255-L297 HydrophobicContact CD1-CD2 3.55Å; Y255-L297 HydrophobicContact CD2-CD2 4.12Å; Y255-L297 HydrophobicContact CE1-CD2 4.13Å; Y255-L297 HydrophobicContact CG-CD2 3.53Å; T282-L297 HydrophobicContact CG2-CD1 4Å; V295-L297 HydrophobicContact CG1-CD1 3.83Å; V295-L297 HydrophobicContact CG1-CG 3.9Å; L297-E299 PolarHBondContact O-N 2.86Å; L297-E299 VanDerWaalsContact O-N 3.11Å | ||
| 298 | D | 80.7 | Confident | 76.8 | Confident | 60 Ų | 60 | 72 Ų | 72 | 32% | 0.321 | 38% | 0.376 | S | S | . | . | trans | -79 | 91.6 | 172.9 | -176.7 | -12.1 | 0 | 0 | 0 | 109.9 | K300 R301 L302 | D298-K300 PolarHBondContact O-N 3.49Å; D298-K300 WeakPolarHBondContact OD1-CB 3.47Å; D298-K300 PolarHBondContact OD1-N 3.3Å; D298-K300 VanDerWaalsContact OD1-N 3.15Å; D298-R301 HydrophobicContact CB-CB 3.86Å; D298-R301 VanDerWaalsContact CG-CB 3.42Å; D298-R301 PolarHBondContact O-N 2.84Å; D298-R301 VanDerWaalsContact O-N 3.11Å; D298-R301 PolarHBondContact OD1-N 3.48Å; D298-R301 WeakPolarHBondContact OD2-CB 3.33Å; D298-R301 IonicContact OD2-CZ 2.83Å; D298-R301 IonicContact OD2-NE 2.7Å; D298-R301 PolarHBondContact OD2-NE 3.29Å; D298-R301 IonicContact OD2-NH2 2.81Å; D298-R301 PolarHBondContact OD2-NH2 3.38Å; D298-L302 PolarHBondContact O-N 3.34Å | ||
| 299 | E | 81.8 | Confident | 76.8 | Confident | 132 Ų | 132 | 65.3 Ų | 65.3 | 62% | 0.617 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -57.5 | -32.4 | -179.8 | -68.9 | -172.6 | -171.1 | 0 | 0 | 113.2 | L286 L297 A303 | L286-E299 HydrophobicContact CD2-CG 4.33Å; L297-E299 PolarHBondContact O-N 2.86Å; L297-E299 VanDerWaalsContact O-N 3.11Å; E299-A303 WeakPolarHBondContact O-CB 3.34Å; E299-A303 PolarHBondContact O-N 2.62Å |
| 300 | K | 84.2 | Confident | 76.5 | Confident | 184 Ų | 184 | 64.8 Ų | 64.8 | 80% | 0.8 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -69.1 | -42.4 | 178.2 | -67.2 | -179.5 | -179.9 | 175 | 0 | 110.6 | D298 A303 G304 | D298-K300 PolarHBondContact O-N 3.49Å; D298-K300 WeakPolarHBondContact OD1-CB 3.47Å; D298-K300 PolarHBondContact OD1-N 3.3Å; D298-K300 VanDerWaalsContact OD1-N 3.15Å; K300-A303 PolarHBondContact O-N 3.28Å; K300-G304 PolarHBondContact O-N 3.02Å |
| 301 | R | 85.3 | Confident | 77.2 | Confident | 92 Ų | 92 | 58.9 Ų | 58.9 | 35% | 0.347 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.1 | -41.2 | 176.4 | -166.4 | -178.3 | -53.9 | -168.5 | -3.2 | 111.8 | D298 A303 G304 Y305 | D298-R301 HydrophobicContact CB-CB 3.86Å; D298-R301 VanDerWaalsContact CG-CB 3.42Å; D298-R301 PolarHBondContact O-N 2.84Å; D298-R301 VanDerWaalsContact O-N 3.11Å; D298-R301 PolarHBondContact OD1-N 3.48Å; D298-R301 WeakPolarHBondContact OD2-CB 3.33Å; D298-R301 IonicContact OD2-CZ 2.83Å; D298-R301 IonicContact OD2-NE 2.7Å; D298-R301 PolarHBondContact OD2-NE 3.29Å; D298-R301 IonicContact OD2-NH2 2.81Å; D298-R301 PolarHBondContact OD2-NH2 3.38Å; R301-A303 VanDerWaalsContact C-N 3.33Å; R301-A303 PolarHBondContact O-N 3.06Å; R301-G304 PolarHBondContact O-N 2.87Å; R301-G304 VanDerWaalsContact O-N 3.15Å; R301-Y305 HydrophobicContact CG-CD2 3.93Å; R301-Y305 HydrophobicContact CG-CE2 3.56Å; R301-Y305 WeakPolarHBondContact O-CD2 3.28Å; R301-Y305 PolarHBondContact O-N 3.48Å |
| 302 | L | 87.1 | Confident | 78 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.4 | -46.7 | 171.8 | 179.2 | 55.9 | 0 | 0 | 0 | 111.4 | Y255 F279 T282 D298 G304 Y305 W306 | Y255-L302 HydrophobicContact CD2-CB 4.4Å; Y255-L302 HydrophobicContact CD2-CD1 4.03Å; Y255-L302 HydrophobicContact CE2-CB 3.93Å; Y255-L302 HydrophobicContact CE2-CD1 4.25Å; F279-L302 HydrophobicContact CB-CD1 3.92Å; F279-L302 HydrophobicContact CD1-CD1 3.46Å; F279-L302 VanDerWaalsContact CD1-CD1 3.46Å; F279-L302 HydrophobicContact CE1-CD1 4.26Å; F279-L302 HydrophobicContact CG-CD1 3.97Å; T282-L302 HydrophobicContact CG2-CD1 4.39Å; T282-L302 HydrophobicContact CG2-CD2 3.85Å; D298-L302 PolarHBondContact O-N 3.34Å; L302-G304 VanDerWaalsContact C-N 3.32Å; L302-G304 PolarHBondContact O-N 3.46Å; L302-Y305 PolarHBondContact O-N 3.41Å; L302-W306 VanDerWaalsContact O-CB 3.27Å; L302-W306 WeakPolarHBondContact O-CB 3.38Å; L302-W306 PolarHBondContact O-N 3.1Å |
| 303 | A | 83.3 | Confident | 78.6 | Confident | 46 Ų | 46 | 53.2 Ų | 53.2 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E299 K300 R301 N307 | E299-A303 WeakPolarHBondContact O-CB 3.34Å; E299-A303 PolarHBondContact O-N 2.62Å; K300-A303 PolarHBondContact O-N 3.28Å; R301-A303 VanDerWaalsContact C-N 3.33Å; R301-A303 PolarHBondContact O-N 3.06Å; A303-N307 WeakPolarHBondContact O-CB 3.5Å; A303-N307 PolarHBondContact O-N 2.93Å; A303-N307 PolarHBondContact O-ND2 2.84Å |
| 304 | G | 84.4 | Confident | 78.7 | Confident | 39 Ų | 39 | 51 Ų | 51 | 40% | 0.402 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.2 | -50.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K300 R301 L302 W306 N307 A308 | K300-G304 PolarHBondContact O-N 3.02Å; R301-G304 PolarHBondContact O-N 2.87Å; R301-G304 VanDerWaalsContact O-N 3.15Å; L302-G304 VanDerWaalsContact C-N 3.32Å; L302-G304 PolarHBondContact O-N 3.46Å; G304-W306 PolarHBondContact O-N 3.37Å; G304-N307 PolarHBondContact O-N 3.36Å; G304-A308 WeakPolarHBondContact O-CB 3.33Å; G304-A308 PolarHBondContact O-N 3.35Å |
| 305 | Y | 86.8 | Confident | 78.4 | Confident | 20 Ų | 20 | 54.5 Ų | 54.5 | 8% | 0.078 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 177.1 | -76.3 | -50.4 | 0 | 0 | 0 | 112.5 | F160 A259 F262 F279 R301 L302 N307 A308 C309 | F160-Y305 WeakPolarHBondContact CZ-OH 3.31Å; A259-Y305 HydrophobicContact CB-CE2 4.41Å; F262-Y305 HydrophobicContact CB-CD1 4.4Å; F262-Y305 HydrophobicContact CB-CE1 4.49Å; F262-Y305 AromaticContact CD1-CD1 3.55Å; F262-Y305 HydrophobicContact CD1-CD1 3.55Å; F262-Y305 AromaticContact CD1-CE1 3.41Å; F262-Y305 HydrophobicContact CD1-CE1 3.41Å; F262-Y305 VanDerWaalsContact CD1-CE1 3.41Å; F262-Y305 HydrophobicContact CD2-CD1 4.09Å; F262-Y305 AromaticContact CE1-CD1 3.72Å; F262-Y305 HydrophobicContact CE1-CD1 3.72Å; F262-Y305 AromaticContact CE1-CE1 3.73Å; F262-Y305 HydrophobicContact CE1-CE1 3.73Å; F262-Y305 HydrophobicContact CE2-CD1 4.24Å; F262-Y305 AromaticContact CG-CD1 3.73Å; F262-Y305 HydrophobicContact CG-CD1 3.73Å; F262-Y305 AromaticContact CG-CE1 3.96Å; F262-Y305 HydrophobicContact CG-CE1 3.96Å; F262-Y305 HydrophobicContact CZ-CD1 4.06Å; F279-Y305 AromaticContact CE1-CD2 3.98Å; F279-Y305 HydrophobicContact CE1-CD2 3.98Å; F279-Y305 HydrophobicContact CE1-CG 4.28Å; F279-Y305 VanDerWaalsContact CE2-CB 3.48Å; F279-Y305 HydrophobicContact CE2-CD1 4.47Å; F279-Y305 HydrophobicContact CE2-CD2 4.46Å; F279-Y305 AromaticContact CE2-CG 3.96Å; F279-Y305 HydrophobicContact CE2-CG 3.96Å; F279-Y305 HydrophobicContact CZ-CD1 4.25Å; F279-Y305 AromaticContact CZ-CD2 3.67Å; F279-Y305 HydrophobicContact CZ-CD2 3.67Å; F279-Y305 HydrophobicContact CZ-CE2 4.36Å; F279-Y305 AromaticContact CZ-CG 3.6Å; F279-Y305 HydrophobicContact CZ-CG 3.6Å; R301-Y305 HydrophobicContact CG-CD2 3.93Å; R301-Y305 HydrophobicContact CG-CE2 3.56Å; R301-Y305 WeakPolarHBondContact O-CD2 3.28Å; R301-Y305 PolarHBondContact O-N 3.48Å; L302-Y305 PolarHBondContact O-N 3.41Å; Y305-N307 PolarHBondContact O-N 3.05Å; Y305-A308 PolarHBondContact O-N 2.79Å; Y305-C309 WeakPolarHBondContact O-CB 3.46Å; Y305-C309 PolarHBondContact O-N 3.26Å; Y305-C309 PolarHBondContact O-SG 3.11Å |
| 306 | W | 83.3 | Confident | 77.5 | Confident | 21 Ų | 21 | 56.4 Ų | 56.4 | 8% | 0.08 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.7 | -47.9 | 177 | 178 | -113.2 | 0 | 0 | 0 | 112 | R276 F279 R280 L302 G304 C309 K310 | R276-W306 HydrophobicContact CG-CE3 4.27Å; R276-W306 HydrophobicContact CG-CH2 4.33Å; R276-W306 HydrophobicContact CG-CZ3 3.65Å; R276-W306 WeakPolarHBondContact O-CZ3 3.25Å; F279-W306 HydrophobicContact CB-CE3 4.06Å; R280-W306 HydrophobicContact CB-CH2 3.8Å; R280-W306 HydrophobicContact CB-CZ3 3.66Å; R280-W306 HydrophobicContact CG-CH2 4.01Å; R280-W306 HydrophobicContact CG-CZ3 4.38Å; L302-W306 VanDerWaalsContact O-CB 3.27Å; L302-W306 WeakPolarHBondContact O-CB 3.38Å; L302-W306 PolarHBondContact O-N 3.1Å; G304-W306 PolarHBondContact O-N 3.37Å; W306-C309 PolarHBondContact O-N 3.44Å; W306-K310 HydrophobicContact CZ2-CD 4.42Å; W306-K310 VanDerWaalsContact NE1-NZ 3.17Å; W306-K310 WeakPolarHBondContact O-CG 3.48Å; W306-K310 PolarHBondContact O-N 3.17Å |
| 307 | N | 78.4 | Confident | 76.5 | Confident | 56 Ų | 56 | 55.6 Ų | 55.6 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 178.8 | -67.6 | -16.7 | 0 | 0 | 0 | 111.8 | A303 G304 Y305 K310 A311 | A303-N307 WeakPolarHBondContact O-CB 3.5Å; A303-N307 PolarHBondContact O-N 2.93Å; A303-N307 PolarHBondContact O-ND2 2.84Å; G304-N307 PolarHBondContact O-N 3.36Å; Y305-N307 PolarHBondContact O-N 3.05Å; N307-K310 PolarHBondContact O-N 3.46Å; N307-A311 PolarHBondContact O-N 3.38Å |
| 308 | A | 82 | Confident | 75 | Confident | 33 Ų | 33 | 60.9 Ų | 60.9 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | F262 G304 Y305 K310 A311 L312 | F262-A308 HydrophobicContact CE2-CB 3.7Å; F262-A308 HydrophobicContact CZ-CB 3.7Å; G304-A308 WeakPolarHBondContact O-CB 3.33Å; G304-A308 PolarHBondContact O-N 3.35Å; Y305-A308 PolarHBondContact O-N 2.79Å; A308-K310 VanDerWaalsContact C-N 3.31Å; A308-K310 PolarHBondContact O-N 3.03Å; A308-A311 PolarHBondContact O-N 3.3Å; A308-L312 WeakPolarHBondContact O-CB 3.47Å; A308-L312 VanDerWaalsContact O-CG 3.25Å; A308-L312 WeakPolarHBondContact O-CG 3.42Å; A308-L312 PolarHBondContact O-N 3.14Å |
| 309 | C | 83.6 | Confident | 73.4 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.2 | -42.7 | 175.3 | -80.3 | 0 | 0 | 0 | 0 | 112.2 | F262 R276 Y305 W306 L312 T313 | F262-C309 WeakPolarHBondContact CD2-SG 3.37Å; R276-C309 HydrophobicContact CB-CB 3.88Å; R276-C309 HydrophobicContact CG-CB 4.21Å; Y305-C309 WeakPolarHBondContact O-CB 3.46Å; Y305-C309 PolarHBondContact O-N 3.26Å; Y305-C309 PolarHBondContact O-SG 3.11Å; W306-C309 PolarHBondContact O-N 3.44Å; C309-L312 PolarHBondContact O-N 3.18Å; C309-T313 WeakPolarHBondContact O-CB 3.36Å; C309-T313 VanDerWaalsContact O-CG2 3.31Å; C309-T313 WeakPolarHBondContact O-CG2 3.48Å; C309-T313 PolarHBondContact O-N 3.48Å; C309-T313 PolarHBondContact O-OG1 2.9Å |
| 310 | K | 75.5 | Confident | 71.9 | Confident | 25 Ų | 25 | 58 Ų | 58 | 11% | 0.109 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.7 | -49.8 | 175.9 | -80.2 | 178.1 | 160.9 | -174.3 | 0 | 112.3 | W306 N307 A308 L312 T313 G314 D320 | W306-K310 HydrophobicContact CZ2-CD 4.42Å; W306-K310 VanDerWaalsContact NE1-NZ 3.17Å; W306-K310 WeakPolarHBondContact O-CG 3.48Å; W306-K310 PolarHBondContact O-N 3.17Å; N307-K310 PolarHBondContact O-N 3.46Å; A308-K310 VanDerWaalsContact C-N 3.31Å; A308-K310 PolarHBondContact O-N 3.03Å; K310-L312 VanDerWaalsContact C-N 3.27Å; K310-L312 PolarHBondContact O-N 2.98Å; K310-T313 PolarHBondContact O-N 3.31Å; K310-G314 PolarHBondContact O-N 3.38Å; K310-D320 IonicContact NZ-OD2 2.7Å; K310-D320 PolarHBondContact NZ-OD2 2.88Å |
| 311 | A | 72.4 | Confident | 70.2 | Confident | 36 Ų | 36 | 55.3 Ų | 55.3 | 30% | 0.298 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.8 | -39.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N307 A308 R334 | N307-A311 PolarHBondContact O-N 3.38Å; A308-A311 PolarHBondContact O-N 3.3Å; A311-R334 PolarHBondContact O-NH2 3.33Å |
| 312 | L | 75.9 | Confident | 68.5 | Low | 81 Ų | 81 | 57.9 Ų | 57.9 | 42% | 0.424 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -76.8 | -36.5 | -178.3 | -67.2 | 168.1 | 0 | 0 | 0 | 113.4 | F262 Y272 A308 C309 K310 | F262-L312 HydrophobicContact CE2-CD1 4.36Å; Y272-L312 HydrophobicContact CD1-CD1 3.85Å; Y272-L312 HydrophobicContact CD2-CB 4.36Å; Y272-L312 HydrophobicContact CD2-CD1 4.21Å; Y272-L312 HydrophobicContact CE1-CD1 3.62Å; Y272-L312 HydrophobicContact CE2-CD1 3.97Å; Y272-L312 HydrophobicContact CG-CB 4.39Å; Y272-L312 HydrophobicContact CG-CD1 4.15Å; A308-L312 WeakPolarHBondContact O-CB 3.47Å; A308-L312 VanDerWaalsContact O-CG 3.25Å; A308-L312 WeakPolarHBondContact O-CG 3.42Å; A308-L312 PolarHBondContact O-N 3.14Å; C309-L312 PolarHBondContact O-N 3.18Å; K310-L312 VanDerWaalsContact C-N 3.27Å; K310-L312 PolarHBondContact O-N 2.98Å |
| 313 | T | 74.5 | Confident | 67.2 | Low | 30 Ų | 30 | 60.4 Ų | 60.4 | 18% | 0.184 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -87.9 | -19.4 | -177.3 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | Q273 C309 K310 D315 | Q273-T313 HydrophobicContact CB-CG2 4.45Å; Q273-T313 HydrophobicContact CG-CG2 3.77Å; C309-T313 WeakPolarHBondContact O-CB 3.36Å; C309-T313 VanDerWaalsContact O-CG2 3.31Å; C309-T313 WeakPolarHBondContact O-CG2 3.48Å; C309-T313 PolarHBondContact O-N 3.48Å; C309-T313 PolarHBondContact O-OG1 2.9Å; K310-T313 PolarHBondContact O-N 3.31Å; T313-D315 VanDerWaalsContact C-N 3.28Å; T313-D315 PolarHBondContact O-N 2.98Å |
| 314 | G | 63.1 | Low | 66.4 | Low | 36 Ų | 36 | 60.4 Ų | 60.4 | 37% | 0.371 | 37% | 0.374 | S | S | . | . | trans | 78.9 | 3.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | K310 C316 | K310-G314 PolarHBondContact O-N 3.38Å; G314-C316 PolarHBondContact O-N 3.18Å | ||
| 315 | D | 58.3 | Low | 65.7 | Low | 92 Ų | 92 | 65.6 Ų | 65.6 | 49% | 0.492 | 38% | 0.382 | S | S | . | . | trans | -92.7 | 101.9 | -177.1 | -137.6 | -3.5 | 0 | 0 | 0 | 109.2 | R276 T313 | R276-D315 IonicContact CZ-OD2 3.86Å; R276-D315 VanDerWaalsContact NH1-CG 3.34Å; R276-D315 IonicContact NH1-OD2 2.9Å; R276-D315 PolarHBondContact NH1-OD2 3.44Å; R276-D315 IonicContact NH2-OD2 3.84Å; T313-D315 VanDerWaalsContact C-N 3.28Å; T313-D315 PolarHBondContact O-N 2.98Å | ||
| 316 | C | 53.1 | Low | 65.1 | Low | 67 Ų | 67 | 68.9 Ų | 68.9 | 45% | 0.453 | 40% | 0.395 | S | S | . | . | trans | -94.7 | 105.9 | 171.7 | -67.1 | 0 | 0 | 0 | 0 | 107.7 | G314 P318 | G314-C316 PolarHBondContact O-N 3.18Å; C316-P318 VanDerWaalsContact O-CD 3.31Å; C316-P318 WeakPolarHBondContact O-CD 3.2Å | ||
| 317 | D | 53 | Low | 64.4 | Low | 81 Ų | 81 | 69.2 Ų | 69.2 | 43% | 0.433 | 40% | 0.398 | S | S | . | . | trans | -59.5 | 118.6 | 170 | -123.4 | -37.5 | 0 | 0 | 0 | 108.3 | A319 D320 | D317-A319 PolarHBondContact O-N 3.47Å; D317-D320 PolarHBondContact O-N 3.22Å; D317-D320 VanDerWaalsContact O-N 3.15Å | ||
| 318 | P | 48.3 | Very low | 64.4 | Low | 134 Ų | 134 | 71 Ų | 71 | 87% | 0.87 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -10.1 | -176.4 | 23.5 | -31.3 | 0 | 0 | 0 | 113.3 | C316 | C316-P318 VanDerWaalsContact O-CD 3.31Å; C316-P318 WeakPolarHBondContact O-CD 3.2Å |
| 319 | A | 46.8 | Very low | 64.4 | Low | 84 Ų | 84 | 69.7 Ų | 69.7 | 69% | 0.694 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D317 T321 | D317-A319 PolarHBondContact O-N 3.47Å; A319-T321 PolarHBondContact O-N 3.01Å |
| 320 | D | 51.3 | Low | 64.3 | Low | 47 Ų | 47 | 73 Ų | 73 | 25% | 0.251 | 41% | 0.408 | S | S | . | . | trans | -87.2 | 107 | -174.6 | -120 | -19.9 | 0 | 0 | 0 | 111.6 | K310 D317 H322 | K310-D320 IonicContact NZ-OD2 2.7Å; K310-D320 PolarHBondContact NZ-OD2 2.88Å; D317-D320 PolarHBondContact O-N 3.22Å; D317-D320 VanDerWaalsContact O-N 3.15Å; D320-H322 PolarHBondContact O-N 2.83Å | ||
| 321 | T | 47.8 | Very low | 64.4 | Low | 128 Ų | 128 | 73.5 Ų | 73.5 | 79% | 0.785 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -67.9 | -0.3 | -179.3 | 40.5 | 0 | 0 | 0 | 0 | 115.1 | A319 | A319-T321 PolarHBondContact O-N 3.01Š|
| 322 | H | 50.5 | Low | 64.9 | Low | 146 Ų | 146 | 73.7 Ų | 73.7 | 68% | 0.676 | 41% | 0.411 | S | S | * | . | trans | -122.3 | 55 | -176.4 | -66.8 | -80 | 0 | 0 | 0 | 112.8 | D320 | D320-H322 PolarHBondContact O-N 2.83Š| ||
| 323 | T | 58 | Low | 65.3 | Low | 67 Ų | 67 | 70.4 Ų | 70.4 | 41% | 0.411 | 39% | 0.393 | S | S | . | . | trans | -74.6 | 125.6 | 164.1 | 43.3 | 0 | 0 | 0 | 0 | 109.5 | Q328 | T323-Q328 PolarHBondContact OG1-NE2 2.91Š| ||
| 324 | T | 66.5 | Low | 65.5 | Low | 45 Ų | 45 | 75 Ų | 75 | 28% | 0.276 | 41% | 0.408 | S | S | . | . | trans | -73.1 | 152.7 | 175.5 | 75.5 | 0 | 0 | 0 | 0 | 109.6 | Y326 D327 Q328 | T324-Y326 PolarHBondContact O-N 3.31Å; T324-Y326 VanDerWaalsContact O-N 3.16Å; T324-D327 WeakPolarHBondContact CB-OD2 3.37Å; T324-D327 PolarHBondContact N-OD2 3.42Å; T324-D327 VanDerWaalsContact N-OD2 3.13Å; T324-D327 WeakPolarHBondContact O-CB 3.22Å; T324-D327 PolarHBondContact O-N 3.42Å; T324-D327 PolarHBondContact OG1-N 3.18Å; T324-D327 PolarHBondContact OG1-OD2 3.41Å; T324-Q328 PolarHBondContact O-N 3.02Å; T324-Q328 VanDerWaalsContact O-N 3.14Å | ||
| 325 | R | 71.7 | Confident | 66.4 | Low | 148 Ų | 148 | 78.5 Ų | 78.5 | 56% | 0.558 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.8 | -24.6 | 177.8 | -65.2 | -174.2 | -178.8 | 106.4 | -2 | 112.8 | I329 S353 L354 | R325-I329 PolarHBondContact O-N 3.19Å; R325-S353 WeakPolarHBondContact CD-OG 3.44Å; R325-L354 HydrophobicContact CB-CD2 4.07Å |
| 326 | Y | 72.4 | Confident | 67.5 | Low | 90 Ų | 90 | 80.8 Ų | 80.8 | 35% | 0.353 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.5 | -45.9 | 172.9 | -57.9 | -83.6 | 0 | 0 | 0 | 111.3 | T324 Q328 I329 H330 P355 F358 | T324-Y326 PolarHBondContact O-N 3.31Å; T324-Y326 VanDerWaalsContact O-N 3.16Å; Y326-Q328 VanDerWaalsContact C-N 3.25Å; Y326-Q328 PolarHBondContact O-N 3.43Å; Y326-I329 PolarHBondContact O-N 3.21Å; Y326-H330 PolarHBondContact O-CD2 3Å; Y326-H330 VanDerWaalsContact O-CD2 3.27Å; Y326-H330 PolarHBondContact O-N 3.25Å; Y326-P355 HydrophobicContact CE1-CG 4.42Å; Y326-P355 WeakPolarHBondContact OH-CD 3.43Å; Y326-P355 WeakPolarHBondContact OH-CG 3.32Å; Y326-F358 AromaticContact CD1-CD1 3.84Å; Y326-F358 HydrophobicContact CD1-CD1 3.84Å; Y326-F358 AromaticContact CD1-CD2 3.82Å; Y326-F358 HydrophobicContact CD1-CD2 3.82Å; Y326-F358 AromaticContact CD1-CE1 3.86Å; Y326-F358 HydrophobicContact CD1-CE1 3.86Å; Y326-F358 AromaticContact CD1-CE2 3.85Å; Y326-F358 HydrophobicContact CD1-CE2 3.85Å; Y326-F358 AromaticContact CD1-CG 3.82Å; Y326-F358 HydrophobicContact CD1-CG 3.82Å; Y326-F358 AromaticContact CD1-CZ 3.87Å; Y326-F358 HydrophobicContact CD1-CZ 3.87Å; Y326-F358 HydrophobicContact CE1-CB 4.14Å; Y326-F358 AromaticContact CE1-CD1 3.99Å; Y326-F358 HydrophobicContact CE1-CD1 3.99Å; Y326-F358 HydrophobicContact CE1-CD2 4.13Å; Y326-F358 HydrophobicContact CE1-CE1 4.46Å; Y326-F358 AromaticContact CE1-CG 3.8Å; Y326-F358 HydrophobicContact CE1-CG 3.8Å |
| 327 | D | 69.5 | Low | 69 | Low | 28 Ų | 28 | 81.3 Ų | 81.3 | 15% | 0.15 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 178 | -57 | -40.7 | 0 | 0 | 0 | 111 | T324 H330 S331 | T324-D327 WeakPolarHBondContact CB-OD2 3.37Å; T324-D327 PolarHBondContact N-OD2 3.42Å; T324-D327 VanDerWaalsContact N-OD2 3.13Å; T324-D327 WeakPolarHBondContact O-CB 3.22Å; T324-D327 PolarHBondContact O-N 3.42Å; T324-D327 PolarHBondContact OG1-N 3.18Å; T324-D327 PolarHBondContact OG1-OD2 3.41Å; D327-H330 PolarHBondContact O-N 3.34Å; D327-S331 WeakPolarHBondContact O-CB 3.3Å; D327-S331 PolarHBondContact O-N 3.41Å |
| 328 | Q | 78.1 | Confident | 70.6 | Confident | 94 Ų | 94 | 79.9 Ų | 79.9 | 44% | 0.439 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 175.6 | -67.2 | 174.4 | 0.6 | 0 | 0 | 111.2 | T323 T324 Y326 S331 L332 | T323-Q328 PolarHBondContact OG1-NE2 2.91Å; T324-Q328 PolarHBondContact O-N 3.02Å; T324-Q328 VanDerWaalsContact O-N 3.14Å; Y326-Q328 VanDerWaalsContact C-N 3.25Å; Y326-Q328 PolarHBondContact O-N 3.43Å; Q328-S331 PolarHBondContact O-N 3.47Å; Q328-L332 VanDerWaalsContact O-CG 3.24Å; Q328-L332 WeakPolarHBondContact O-CG 3.24Å; Q328-L332 PolarHBondContact O-N 3.31Å |
| 329 | I | 82.5 | Confident | 72.5 | Confident | 5 Ų | 5 | 79.4 Ų | 79.4 | 3% | 0.026 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 179.2 | -72.2 | 170 | 0 | 0 | 0 | 111.6 | R325 Y326 S331 L332 I333 F345 L354 F358 V362 | R325-I329 PolarHBondContact O-N 3.19Å; Y326-I329 PolarHBondContact O-N 3.21Å; I329-S331 VanDerWaalsContact C-N 3.31Å; I329-S331 PolarHBondContact O-N 3.17Å; I329-L332 PolarHBondContact O-N 3Å; I329-I333 HydrophobicContact CG2-CD1 3.77Å; I329-I333 HydrophobicContact CG2-CG1 4.47Å; I329-I333 VanDerWaalsContact O-CG1 3.29Å; I329-I333 WeakPolarHBondContact O-CG1 3.31Å; I329-I333 PolarHBondContact O-N 3.47Å; I329-F345 HydrophobicContact CD1-CD2 4.41Å; I329-F345 HydrophobicContact CD1-CE2 3.96Å; I329-F345 HydrophobicContact CG2-CE2 4.3Å; I329-L354 HydrophobicContact CD1-CD1 3.29Å; I329-L354 HydrophobicContact CD1-CD2 3.95Å; I329-L354 HydrophobicContact CD1-CG 4.26Å; I329-F358 HydrophobicContact CB-CE1 4.35Å; I329-F358 HydrophobicContact CB-CZ 4.38Å; I329-F358 HydrophobicContact CD1-CE1 3.85Å; I329-F358 HydrophobicContact CG2-CE1 4.19Å; I329-F358 HydrophobicContact CG2-CZ 4.15Å; I329-V362 HydrophobicContact CG2-CG2 4.45Å |
| 330 | H | 80.2 | Confident | 74.4 | Confident | 68 Ų | 68 | 76.7 Ų | 76.7 | 32% | 0.315 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.4 | -35 | 177.9 | -77 | -62.8 | 0 | 0 | 0 | 112.8 | Y326 D327 R334 F358 | Y326-H330 PolarHBondContact O-CD2 3Å; Y326-H330 VanDerWaalsContact O-CD2 3.27Å; Y326-H330 PolarHBondContact O-N 3.25Å; D327-H330 PolarHBondContact O-N 3.34Å; H330-R334 WeakPolarHBondContact O-CB 3.41Å; H330-R334 PolarHBondContact O-N 3.07Å; H330-F358 AromaticContact NE2-CE2 3.38Å; H330-F358 WeakPolarHBondContact NE2-CE2 3.35Å; H330-F358 AromaticContact NE2-CZ 3.73Å |
| 331 | S | 79.3 | Confident | 76.2 | Confident | 37 Ų | 37 | 74.5 Ų | 74.5 | 26% | 0.259 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.7 | -47 | 173.2 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | D327 Q328 I329 I333 R334 N335 | D327-S331 WeakPolarHBondContact O-CB 3.3Å; D327-S331 PolarHBondContact O-N 3.41Å; Q328-S331 PolarHBondContact O-N 3.47Å; I329-S331 VanDerWaalsContact C-N 3.31Å; I329-S331 PolarHBondContact O-N 3.17Å; S331-I333 PolarHBondContact O-N 2.86Å; S331-R334 PolarHBondContact O-N 3.31Å; S331-N335 WeakPolarHBondContact O-CB 3.43Å; S331-N335 VanDerWaalsContact O-CG 3.25Å; S331-N335 PolarHBondContact O-N 3.26Å; S331-N335 PolarHBondContact O-ND2 3.45Å |
| 332 | L | 82.6 | Confident | 78.3 | Confident | 40 Ų | 40 | 68.6 Ų | 68.6 | 21% | 0.209 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 177.5 | -67.7 | 174.2 | 0 | 0 | 0 | 112.5 | Q328 I329 N335 Q336 D337 A340 V341 | Q328-L332 VanDerWaalsContact O-CG 3.24Å; Q328-L332 WeakPolarHBondContact O-CG 3.24Å; Q328-L332 PolarHBondContact O-N 3.31Å; I329-L332 PolarHBondContact O-N 3Å; L332-N335 PolarHBondContact O-N 3Å; L332-Q336 PolarHBondContact O-N 2.93Å; L332-D337 HydrophobicContact CD2-CB 4.34Å; L332-D337 PolarHBondContact O-N 3.24Å; L332-A340 HydrophobicContact CD1-CB 3.88Å; L332-A340 HydrophobicContact CD2-CB 3.65Å; L332-A340 HydrophobicContact CG-CB 4.29Å; L332-V341 HydrophobicContact CB-CG2 3.6Å |
| 333 | I | 83.4 | Confident | 80.3 | Confident | 11 Ų | 11 | 63.8 Ų | 63.8 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.3 | -43 | 176 | -67 | 166.4 | 0 | 0 | 0 | 110.7 | I329 S331 Q336 V341 V362 L366 | I329-I333 HydrophobicContact CG2-CD1 3.77Å; I329-I333 HydrophobicContact CG2-CG1 4.47Å; I329-I333 VanDerWaalsContact O-CG1 3.29Å; I329-I333 WeakPolarHBondContact O-CG1 3.31Å; I329-I333 PolarHBondContact O-N 3.47Å; S331-I333 PolarHBondContact O-N 2.86Å; I333-Q336 PolarHBondContact O-N 3.1Å; I333-V341 HydrophobicContact CG1-CG1 4.46Å; I333-V341 HydrophobicContact CG1-CG2 3.84Å; I333-V362 HydrophobicContact CD1-CG1 3.73Å; I333-L366 HydrophobicContact CG2-CD2 4.43Å |
| 334 | R | 79.8 | Confident | 81.8 | Confident | 127 Ų | 127 | 61.8 Ų | 61.8 | 48% | 0.479 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 178.6 | -171 | -173.6 | -47.8 | -140.4 | -1.2 | 112.2 | A311 H330 S331 Q336 | A311-R334 PolarHBondContact O-NH2 3.33Å; H330-R334 WeakPolarHBondContact O-CB 3.41Å; H330-R334 PolarHBondContact O-N 3.07Å; S331-R334 PolarHBondContact O-N 3.31Å; R334-Q336 PolarHBondContact O-N 3.17Å |
| 335 | N | 81.2 | Confident | 83.1 | Confident | 110 Ų | 110 | 59.6 Ų | 59.6 | 59% | 0.588 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 2 | 178.6 | -64.6 | -14.7 | 0 | 0 | 0 | 113 | S331 L332 D337 | S331-N335 WeakPolarHBondContact O-CB 3.43Å; S331-N335 VanDerWaalsContact O-CG 3.25Å; S331-N335 PolarHBondContact O-N 3.26Å; S331-N335 PolarHBondContact O-ND2 3.45Å; L332-N335 PolarHBondContact O-N 3Å; N335-D337 PolarHBondContact O-N 3.23Å |
| 336 | Q | 80.9 | Confident | 84 | Confident | 140 Ų | 140 | 52.8 Ų | 52.8 | 65% | 0.654 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 22.9 | -176.8 | -55.4 | -178.6 | 3 | 0 | 0 | 114 | L332 I333 R334 Y338 | L332-Q336 PolarHBondContact O-N 2.93Å; I333-Q336 PolarHBondContact O-N 3.1Å; R334-Q336 PolarHBondContact O-N 3.17Å; Q336-Y338 HydrophobicContact CB-CE2 4.18Å; Q336-Y338 PolarHBondContact O-N 2.61Å |
| 337 | D | 84.8 | Confident | 84.8 | Confident | 77 Ų | 77 | 56.1 Ų | 56.1 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | trans | -85.2 | 70.1 | 176.1 | -168.8 | -7.9 | 0 | 0 | 0 | 110.5 | L332 N335 Q339 A340 V341 | L332-D337 HydrophobicContact CD2-CB 4.34Å; L332-D337 PolarHBondContact O-N 3.24Å; N335-D337 PolarHBondContact O-N 3.23Å; D337-Q339 VanDerWaalsContact C-N 3.27Å; D337-Q339 PolarHBondContact O-N 3.04Å; D337-A340 HydrophobicContact CB-CB 4.24Å; D337-A340 VanDerWaalsContact CG-CB 3.44Å; D337-A340 PolarHBondContact O-N 3.48Å; D337-A340 WeakPolarHBondContact OD1-CB 3.31Å; D337-A340 PolarHBondContact OD1-N 3.16Å; D337-A340 WeakPolarHBondContact OD2-CB 3.15Å; D337-V341 WeakPolarHBondContact O-CG2 3.45Å; D337-V341 PolarHBondContact O-N 2.77Å | ||
| 338 | Y | 86.9 | Confident | 85.8 | Confident | 52 Ų | 52 | 55 Ų | 55 | 20% | 0.204 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.1 | -26.9 | -173.2 | -61.6 | -48.6 | 0 | 0 | 0 | 113.8 | Q336 V341 V342 L377 L380 | Q336-Y338 HydrophobicContact CB-CE2 4.18Å; Q336-Y338 PolarHBondContact O-N 2.61Å; Y338-V341 PolarHBondContact O-N 3.43Å; Y338-V342 WeakPolarHBondContact O-CG2 3.5Å; Y338-V342 PolarHBondContact O-N 2.98Å; Y338-L377 HydrophobicContact CD1-CD2 4.48Å; Y338-L377 HydrophobicContact CE1-CD2 3.86Å; Y338-L377 HydrophobicContact CE2-CD2 4.04Å; Y338-L380 HydrophobicContact CD1-CD2 3.28Å; Y338-L380 HydrophobicContact CD2-CD2 4.41Å; Y338-L380 HydrophobicContact CE1-CD2 3.93Å; Y338-L380 HydrophobicContact CG-CD2 3.57Å |
| 339 | Q | 87.9 | Confident | 86.4 | Confident | 123 Ų | 123 | 50.6 Ų | 50.6 | 58% | 0.575 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -69.9 | -41.2 | 175.9 | -69.4 | -58.8 | -35.3 | 0 | 0 | 111.2 | D337 V341 V342 E343 | D337-Q339 VanDerWaalsContact C-N 3.27Å; D337-Q339 PolarHBondContact O-N 3.04Å; Q339-V341 VanDerWaalsContact C-N 3.26Å; Q339-V341 PolarHBondContact O-N 2.99Å; Q339-V342 PolarHBondContact O-N 2.84Å; Q339-E343 WeakPolarHBondContact O-CB 3.25Å; Q339-E343 PolarHBondContact O-N 3.46Å |
| 340 | A | 88 | Confident | 86.5 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63 | -33.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | L332 D337 E343 A344 | L332-A340 HydrophobicContact CD1-CB 3.88Å; L332-A340 HydrophobicContact CD2-CB 3.65Å; L332-A340 HydrophobicContact CG-CB 4.29Å; D337-A340 HydrophobicContact CB-CB 4.24Å; D337-A340 VanDerWaalsContact CG-CB 3.44Å; D337-A340 PolarHBondContact O-N 3.48Å; D337-A340 WeakPolarHBondContact OD1-CB 3.31Å; D337-A340 PolarHBondContact OD1-N 3.16Å; D337-A340 WeakPolarHBondContact OD2-CB 3.15Å; A340-E343 PolarHBondContact O-N 3.19Å; A340-A344 WeakPolarHBondContact O-CB 3.43Å; A340-A344 PolarHBondContact O-N 2.89Å |
| 341 | V | 89.3 | Confident | 86.9 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 174.2 | 180 | 0 | 0 | 0 | 0 | 111.3 | L332 I333 D337 Y338 Q339 E343 A344 F345 L384 | L332-V341 HydrophobicContact CB-CG2 3.6Å; I333-V341 HydrophobicContact CG1-CG1 4.46Å; I333-V341 HydrophobicContact CG1-CG2 3.84Å; D337-V341 WeakPolarHBondContact O-CG2 3.45Å; D337-V341 PolarHBondContact O-N 2.77Å; Y338-V341 PolarHBondContact O-N 3.43Å; Q339-V341 VanDerWaalsContact C-N 3.26Å; Q339-V341 PolarHBondContact O-N 2.99Å; V341-E343 VanDerWaalsContact C-N 3.31Å; V341-E343 PolarHBondContact O-N 3.33Å; V341-A344 PolarHBondContact O-N 3.32Å; V341-F345 HydrophobicContact CG1-CD2 4.21Å; V341-F345 HydrophobicContact CG1-CE2 4.11Å; V341-F345 VanDerWaalsContact O-CD2 3.32Å; V341-F345 WeakPolarHBondContact O-CD2 3.01Å; V341-F345 PolarHBondContact O-N 2.94Å; V341-L384 HydrophobicContact CG1-CD1 4.47Å; V341-L384 HydrophobicContact CG1-CD2 4.22Å |
| 342 | V | 91.5 | Very high | 87.2 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.5 | -46.3 | 177.4 | 174 | 0 | 0 | 0 | 0 | 110.4 | Y338 Q339 A344 F345 I346 L380 Q383 L384 F417 | Y338-V342 WeakPolarHBondContact O-CG2 3.5Å; Y338-V342 PolarHBondContact O-N 2.98Å; Q339-V342 PolarHBondContact O-N 2.84Å; V342-A344 VanDerWaalsContact C-N 3.34Å; V342-A344 PolarHBondContact O-N 3.15Å; V342-F345 WeakPolarHBondContact O-CB 2.95Å; V342-F345 PolarHBondContact O-N 2.9Å; V342-F345 VanDerWaalsContact O-N 3.11Å; V342-I346 HydrophobicContact CG1-CD1 3.95Å; V342-I346 HydrophobicContact CG1-CG1 4.46Å; V342-I346 WeakPolarHBondContact O-CG1 3.34Å; V342-I346 PolarHBondContact O-N 3.38Å; V342-L380 HydrophobicContact CG2-CD1 3.39Å; V342-Q383 HydrophobicContact CG1-CB 4.42Å; V342-Q383 HydrophobicContact CG2-CB 4.06Å; V342-L384 HydrophobicContact CG2-CD2 4.09Å; V342-F417 HydrophobicContact CG1-CE2 4.14Å; V342-F417 HydrophobicContact CG1-CZ 3.6Å |
| 343 | E | 91.9 | Very high | 87.3 | Confident | 45 Ų | 45 | 54.2 Ų | 54.2 | 21% | 0.21 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 179.2 | 179 | 58.3 | -158.7 | 0 | 0 | 112.4 | Q339 A340 V341 F345 I346 R347 R424 | Q339-E343 WeakPolarHBondContact O-CB 3.25Å; Q339-E343 PolarHBondContact O-N 3.46Å; A340-E343 PolarHBondContact O-N 3.19Å; V341-E343 VanDerWaalsContact C-N 3.31Å; V341-E343 PolarHBondContact O-N 3.33Å; E343-F345 VanDerWaalsContact C-N 3.33Å; E343-F345 PolarHBondContact O-N 3.45Å; E343-I346 PolarHBondContact O-N 3.32Å; E343-R347 WeakPolarHBondContact O-CG 3.46Å; E343-R347 PolarHBondContact O-N 3.25Å; E343-R347 IonicContact OE1-CZ 3.38Å; E343-R347 VanDerWaalsContact OE1-CZ 3.29Å; E343-R347 IonicContact OE1-NE 2.67Å; E343-R347 PolarHBondContact OE1-NE 3.18Å; E343-R347 IonicContact OE1-NH2 2.8Å; E343-R347 PolarHBondContact OE1-NH2 2.85Å; E343-R424 IonicContact OE1-CZ 3.86Å; E343-R424 IonicContact OE1-NH2 3.45Å; E343-R424 PolarHBondContact OE1-NH2 2.99Å; E343-R424 IonicContact OE2-CZ 2.96Å; E343-R424 VanDerWaalsContact OE2-CZ 3.25Å; E343-R424 IonicContact OE2-NH1 3.21Å; E343-R424 PolarHBondContact OE2-NH1 3.17Å; E343-R424 IonicContact OE2-NH2 4Å; E343-R424 PolarHBondContact OE2-NH2 3.48Å |
| 344 | A | 89.6 | Confident | 87.5 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 21% | 0.207 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A340 V341 V342 D348 | A340-A344 WeakPolarHBondContact O-CB 3.43Å; A340-A344 PolarHBondContact O-N 2.89Å; V341-A344 PolarHBondContact O-N 3.32Å; V342-A344 VanDerWaalsContact C-N 3.34Å; V342-A344 PolarHBondContact O-N 3.15Å; A344-D348 VanDerWaalsContact O-CB 3.3Å; A344-D348 WeakPolarHBondContact O-CB 3.39Å; A344-D348 PolarHBondContact O-N 2.85Å |
| 345 | F | 92.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 177.2 | -89.6 | -126.7 | 0 | 0 | 0 | 112.4 | I329 V341 V342 E343 N349 R359 V362 L384 C387 | I329-F345 HydrophobicContact CD1-CD2 4.41Å; I329-F345 HydrophobicContact CD1-CE2 3.96Å; I329-F345 HydrophobicContact CG2-CE2 4.3Å; V341-F345 HydrophobicContact CG1-CD2 4.21Å; V341-F345 HydrophobicContact CG1-CE2 4.11Å; V341-F345 VanDerWaalsContact O-CD2 3.32Å; V341-F345 WeakPolarHBondContact O-CD2 3.01Å; V341-F345 PolarHBondContact O-N 2.94Å; V342-F345 WeakPolarHBondContact O-CB 2.95Å; V342-F345 PolarHBondContact O-N 2.9Å; V342-F345 VanDerWaalsContact O-N 3.11Å; E343-F345 VanDerWaalsContact C-N 3.33Å; E343-F345 PolarHBondContact O-N 3.45Å; F345-N349 VanDerWaalsContact O-CG 3.32Å; F345-N349 PolarHBondContact O-N 3.07Å; F345-N349 VanDerWaalsContact O-N 3.14Å; F345-N349 PolarHBondContact O-OD1 3.03Å; F345-R359 VanDerWaalsContact CD1-CZ 3.42Å; F345-R359 HydrophobicContact CE1-CB 3.86Å; F345-R359 HydrophobicContact CE1-CG 4.01Å; F345-R359 HydrophobicContact CZ-CB 4.29Å; F345-R359 HydrophobicContact CZ-CG 4.25Å; F345-R359 PolarHBondContact O-NH1 3.37Å; F345-R359 PolarHBondContact O-NH2 3.09Å; F345-V362 HydrophobicContact CZ-CB 4.19Å; F345-V362 HydrophobicContact CZ-CG1 4.01Å; F345-L384 HydrophobicContact CB-CD2 4.18Å; F345-L384 HydrophobicContact CD1-CD2 3.75Å; F345-L384 HydrophobicContact CD2-CD2 4.17Å; F345-L384 HydrophobicContact CE1-CD2 4.15Å; F345-L384 HydrophobicContact CG-CD2 3.78Å; F345-C387 HydrophobicContact CB-CB 4.09Å; F345-C387 HydrophobicContact CD1-CB 4.45Å |
| 346 | I | 92.2 | Very high | 88.2 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.2 | -48.9 | 176.2 | -65 | 169.4 | 0 | 0 | 0 | 110.4 | V342 E343 D348 N349 F417 V421 R424 | V342-I346 HydrophobicContact CG1-CD1 3.95Å; V342-I346 HydrophobicContact CG1-CG1 4.46Å; V342-I346 WeakPolarHBondContact O-CG1 3.34Å; V342-I346 PolarHBondContact O-N 3.38Å; E343-I346 PolarHBondContact O-N 3.32Å; I346-D348 VanDerWaalsContact C-N 3.27Å; I346-D348 PolarHBondContact O-N 2.88Å; I346-N349 WeakPolarHBondContact O-CB 3.26Å; I346-N349 PolarHBondContact O-N 3.03Å; I346-N349 VanDerWaalsContact O-N 3.09Å; I346-F417 HydrophobicContact CD1-CE2 4.33Å; I346-F417 HydrophobicContact CD1-CZ 4.27Å; I346-V421 HydrophobicContact CD1-CG2 3.85Å; I346-V421 HydrophobicContact CG1-CG1 4.28Å; I346-V421 HydrophobicContact CG1-CG2 3.97Å; I346-R424 HydrophobicContact CG2-CB 3.8Å |
| 347 | R | 89.3 | Confident | 88.5 | Confident | 161 Ų | 161 | 46.9 Ų | 46.9 | 61% | 0.608 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -60.4 | -40.2 | 177.7 | -69.5 | 177.3 | -163.3 | 159.2 | 2.6 | 111.9 | E343 N349 A350 A351 | E343-R347 WeakPolarHBondContact O-CG 3.46Å; E343-R347 PolarHBondContact O-N 3.25Å; E343-R347 IonicContact OE1-CZ 3.38Å; E343-R347 VanDerWaalsContact OE1-CZ 3.29Å; E343-R347 IonicContact OE1-NE 2.67Å; E343-R347 PolarHBondContact OE1-NE 3.18Å; E343-R347 IonicContact OE1-NH2 2.8Å; E343-R347 PolarHBondContact OE1-NH2 2.85Å; R347-N349 PolarHBondContact O-N 3.29Å; R347-A350 PolarHBondContact O-N 3.5Å; R347-A351 PolarHBondContact O-N 3.02Å; R347-A351 VanDerWaalsContact O-N 3.1Å |
| 348 | D | 89.6 | Confident | 88.8 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.3 | -22 | 178 | -178.7 | 70.5 | 0 | 0 | 0 | 113.3 | A344 I346 A350 A351 R352 S353 L354 R359 | A344-D348 VanDerWaalsContact O-CB 3.3Å; A344-D348 WeakPolarHBondContact O-CB 3.39Å; A344-D348 PolarHBondContact O-N 2.85Å; I346-D348 VanDerWaalsContact C-N 3.27Å; I346-D348 PolarHBondContact O-N 2.88Å; D348-A350 PolarHBondContact O-N 3.35Å; D348-A351 PolarHBondContact O-N 3.46Å; D348-R352 WeakPolarHBondContact O-CA 3.34Å; D348-R352 PolarHBondContact O-N 3.32Å; D348-S353 WeakPolarHBondContact OD1-CA 3.46Å; D348-S353 WeakPolarHBondContact OD1-CB 3.46Å; D348-S353 PolarHBondContact OD1-N 3.25Å; D348-S353 PolarHBondContact OD1-OG 3.39Å; D348-L354 HydrophobicContact CB-CD1 3.85Å; D348-L354 HydrophobicContact CB-CG 4.28Å; D348-L354 VanDerWaalsContact CG-CG 3.49Å; D348-L354 WeakPolarHBondContact OD1-CG 3.35Å; D348-L354 PolarHBondContact OD1-N 3.34Å; D348-L354 VanDerWaalsContact OD2-CB 3.31Å; D348-L354 WeakPolarHBondContact OD2-CB 3.29Å; D348-L354 WeakPolarHBondContact OD2-CD1 3.47Å; D348-R359 IonicContact OD2-CZ 3.7Å; D348-R359 IonicContact OD2-NH1 3.53Å; D348-R359 PolarHBondContact OD2-NH1 3.43Å |
| 349 | N | 90.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.3 | -35.2 | 174.2 | -70.4 | -9.4 | 0 | 0 | 0 | 112.7 | F345 I346 R347 R359 C387 R391 S425 | F345-N349 VanDerWaalsContact O-CG 3.32Å; F345-N349 PolarHBondContact O-N 3.07Å; F345-N349 VanDerWaalsContact O-N 3.14Å; F345-N349 PolarHBondContact O-OD1 3.03Å; I346-N349 WeakPolarHBondContact O-CB 3.26Å; I346-N349 PolarHBondContact O-N 3.03Å; I346-N349 VanDerWaalsContact O-N 3.09Å; R347-N349 PolarHBondContact O-N 3.29Å; N349-R359 PolarHBondContact OD1-NH1 3.47Å; N349-R359 PolarHBondContact OD1-NH2 3.09Å; N349-C387 PolarHBondContact ND2-O 3.22Å; N349-C387 PolarHBondContact OD1-O 2.84Å; N349-R391 PolarHBondContact O-NH1 3.27Å; N349-S425 VanDerWaalsContact CB-CB 3.49Å; N349-S425 WeakPolarHBondContact CB-OG 3.45Å; N349-S425 PolarHBondContact ND2-OG 2.93Å |
| 350 | A | 86.1 | Confident | 89.1 | Confident | 48 Ų | 48 | 40.5 Ų | 40.5 | 40% | 0.397 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -82.4 | -44.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | R347 D348 R352 | R347-A350 PolarHBondContact O-N 3.5Å; D348-A350 PolarHBondContact O-N 3.35Å; A350-R352 PolarHBondContact O-N 2.94Å |
| 351 | A | 86.6 | Confident | 89.3 | Confident | 66 Ų | 66 | 42.5 Ų | 42.5 | 55% | 0.545 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -74.3 | -23.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R347 D348 S353 | R347-A351 PolarHBondContact O-N 3.02Å; R347-A351 VanDerWaalsContact O-N 3.1Å; D348-A351 PolarHBondContact O-N 3.46Å; A351-S353 PolarHBondContact O-N 2.84Å; A351-S353 VanDerWaalsContact O-N 3.16Å |
| 352 | R | 85.9 | Confident | 89.3 | Confident | 71 Ų | 71 | 42.6 Ų | 42.6 | 27% | 0.268 | 23% | 0.228 | S | C | . | . | trans | 53.1 | 33.2 | 179.3 | -44.2 | -167.4 | 177 | -144.1 | -9.9 | 114.2 | D348 A350 D395 | D348-R352 WeakPolarHBondContact O-CA 3.34Å; D348-R352 PolarHBondContact O-N 3.32Å; A350-R352 PolarHBondContact O-N 2.94Å; R352-D395 IonicContact CZ-OD1 2.69Å; R352-D395 IonicContact NE-OD1 3.35Å; R352-D395 IonicContact NH1-OD1 2.74Å; R352-D395 PolarHBondContact NH1-OD1 3.43Å; R352-D395 IonicContact NH2-OD1 3.66Å; R352-D395 PolarHBondContact NH2-OD1 3.29Å | ||
| 353 | S | 85.8 | Confident | 89.4 | Confident | 40 Ų | 40 | 43.3 Ų | 43.3 | 28% | 0.28 | 23% | 0.232 | S | C | . | . | trans | -88 | -26.5 | -171.8 | 69.6 | 0 | 0 | 0 | 0 | 113 | R325 D348 A351 | R325-S353 WeakPolarHBondContact CD-OG 3.44Å; D348-S353 WeakPolarHBondContact OD1-CA 3.46Å; D348-S353 WeakPolarHBondContact OD1-CB 3.46Å; D348-S353 PolarHBondContact OD1-N 3.25Å; D348-S353 PolarHBondContact OD1-OG 3.39Å; A351-S353 PolarHBondContact O-N 2.84Å; A351-S353 VanDerWaalsContact O-N 3.16Å | ||
| 354 | L | 86.8 | Confident | 89.3 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -92.8 | 134 | 177.5 | -56.4 | 167.5 | 0 | 0 | 0 | 110.8 | R325 I329 D348 F358 R359 | R325-L354 HydrophobicContact CB-CD2 4.07Å; I329-L354 HydrophobicContact CD1-CD1 3.29Å; I329-L354 HydrophobicContact CD1-CD2 3.95Å; I329-L354 HydrophobicContact CD1-CG 4.26Å; D348-L354 HydrophobicContact CB-CD1 3.85Å; D348-L354 HydrophobicContact CB-CG 4.28Å; D348-L354 VanDerWaalsContact CG-CG 3.49Å; D348-L354 WeakPolarHBondContact OD1-CG 3.35Å; D348-L354 PolarHBondContact OD1-N 3.34Å; D348-L354 VanDerWaalsContact OD2-CB 3.31Å; D348-L354 WeakPolarHBondContact OD2-CB 3.29Å; D348-L354 WeakPolarHBondContact OD2-CD1 3.47Å; L354-F358 HydrophobicContact CD2-CD1 4.24Å; L354-F358 HydrophobicContact CD2-CE1 4.3Å; L354-R359 HydrophobicContact CB-CG 4.12Å; L354-R359 HydrophobicContact CD1-CG 4.41Å |
| 355 | P | 88.2 | Confident | 89.4 | Confident | 37 Ų | 37 | 52 Ų | 52 | 24% | 0.24 | 26% | 0.26 | C | S | . | . | trans | -62 | 143.2 | 169.8 | -22.6 | 33.4 | 0 | 0 | 0 | 112.1 | Y326 H357 F358 R359 | Y326-P355 HydrophobicContact CE1-CG 4.42Å; Y326-P355 WeakPolarHBondContact OH-CD 3.43Å; Y326-P355 WeakPolarHBondContact OH-CG 3.32Å; P355-H357 VanDerWaalsContact C-N 3.29Å; P355-H357 WeakPolarHBondContact CB-CE1 3.29Å; P355-H357 WeakPolarHBondContact CB-ND1 3.45Å; P355-H357 PolarHBondContact O-N 3Å; P355-F358 WeakPolarHBondContact O-CB 3.43Å; P355-F358 PolarHBondContact O-N 2.95Å; P355-R359 PolarHBondContact O-N 3.48Å | ||
| 356 | T | 87.1 | Confident | 89.3 | Confident | 55 Ų | 55 | 52.1 Ų | 52.1 | 34% | 0.337 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.3 | -35.5 | 179.7 | 53.1 | 0 | 0 | 0 | 0 | 112.8 | F358 R359 R360 | T356-F358 VanDerWaalsContact C-N 3.33Å; T356-F358 PolarHBondContact O-N 2.69Å; T356-R359 PolarHBondContact O-N 3.03Å; T356-R360 WeakPolarHBondContact O-CB 3.32Å; T356-R360 VanDerWaalsContact O-CG 3.3Å; T356-R360 WeakPolarHBondContact O-CG 3.38Å; T356-R360 PolarHBondContact O-N 3.01Å |
| 357 | H | 88.5 | Confident | 89.1 | Confident | 133 Ų | 133 | 55.3 Ų | 55.3 | 62% | 0.616 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.7 | -38.4 | 177.7 | 65 | -95.1 | 0 | 0 | 0 | 112.2 | P355 R360 S361 | P355-H357 VanDerWaalsContact C-N 3.29Å; P355-H357 WeakPolarHBondContact CB-CE1 3.29Å; P355-H357 WeakPolarHBondContact CB-ND1 3.45Å; P355-H357 PolarHBondContact O-N 3Å; H357-R360 PolarHBondContact O-N 3.23Å; H357-S361 WeakPolarHBondContact O-CB 3.49Å; H357-S361 PolarHBondContact O-N 2.99Å |
| 358 | F | 89.7 | Confident | 89.2 | Confident | 23 Ų | 23 | 54.3 Ų | 54.3 | 10% | 0.101 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.9 | -49.3 | 176.4 | 175.3 | -107.4 | 0 | 0 | 0 | 110.8 | Y326 I329 H330 L354 P355 T356 R360 S361 V362 | Y326-F358 AromaticContact CD1-CD1 3.84Å; Y326-F358 HydrophobicContact CD1-CD1 3.84Å; Y326-F358 AromaticContact CD1-CD2 3.82Å; Y326-F358 HydrophobicContact CD1-CD2 3.82Å; Y326-F358 AromaticContact CD1-CE1 3.86Å; Y326-F358 HydrophobicContact CD1-CE1 3.86Å; Y326-F358 AromaticContact CD1-CE2 3.85Å; Y326-F358 HydrophobicContact CD1-CE2 3.85Å; Y326-F358 AromaticContact CD1-CG 3.82Å; Y326-F358 HydrophobicContact CD1-CG 3.82Å; Y326-F358 AromaticContact CD1-CZ 3.87Å; Y326-F358 HydrophobicContact CD1-CZ 3.87Å; Y326-F358 HydrophobicContact CE1-CB 4.14Å; Y326-F358 AromaticContact CE1-CD1 3.99Å; Y326-F358 HydrophobicContact CE1-CD1 3.99Å; Y326-F358 HydrophobicContact CE1-CD2 4.13Å; Y326-F358 HydrophobicContact CE1-CE1 4.46Å; Y326-F358 AromaticContact CE1-CG 3.8Å; Y326-F358 HydrophobicContact CE1-CG 3.8Å; I329-F358 HydrophobicContact CB-CE1 4.35Å; I329-F358 HydrophobicContact CB-CZ 4.38Å; I329-F358 HydrophobicContact CD1-CE1 3.85Å; I329-F358 HydrophobicContact CG2-CE1 4.19Å; I329-F358 HydrophobicContact CG2-CZ 4.15Å; H330-F358 AromaticContact NE2-CE2 3.38Å; H330-F358 WeakPolarHBondContact NE2-CE2 3.35Å; H330-F358 AromaticContact NE2-CZ 3.73Å; L354-F358 HydrophobicContact CD2-CD1 4.24Å; L354-F358 HydrophobicContact CD2-CE1 4.3Å; P355-F358 WeakPolarHBondContact O-CB 3.43Å; P355-F358 PolarHBondContact O-N 2.95Å; T356-F358 VanDerWaalsContact C-N 3.33Å; T356-F358 PolarHBondContact O-N 2.69Å; F358-R360 VanDerWaalsContact C-N 3.29Å; F358-R360 PolarHBondContact O-N 3.33Å; F358-S361 WeakPolarHBondContact O-CB 3.36Å; F358-S361 PolarHBondContact O-N 3.18Å; F358-V362 HydrophobicContact CD1-CG2 4.48Å; F358-V362 HydrophobicContact CD2-CG2 4.44Å; F358-V362 HydrophobicContact CE1-CG2 4.02Å; F358-V362 HydrophobicContact CE2-CG2 3.97Å; F358-V362 HydrophobicContact CZ-CG2 3.75Å; F358-V362 WeakPolarHBondContact O-CG2 3.43Å; F358-V362 PolarHBondContact O-N 3.44Å |
| 359 | R | 91 | Very high | 89.1 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 1% | 0.011 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.2 | -40.6 | 177.2 | -64.4 | -179.6 | 64.8 | 116.5 | -3.9 | 112.7 | F345 D348 N349 L354 P355 T356 L363 N388 | F345-R359 VanDerWaalsContact CD1-CZ 3.42Å; F345-R359 HydrophobicContact CE1-CB 3.86Å; F345-R359 HydrophobicContact CE1-CG 4.01Å; F345-R359 HydrophobicContact CZ-CB 4.29Å; F345-R359 HydrophobicContact CZ-CG 4.25Å; F345-R359 PolarHBondContact O-NH1 3.37Å; F345-R359 PolarHBondContact O-NH2 3.09Å; D348-R359 IonicContact OD2-CZ 3.7Å; D348-R359 IonicContact OD2-NH1 3.53Å; D348-R359 PolarHBondContact OD2-NH1 3.43Å; N349-R359 PolarHBondContact OD1-NH1 3.47Å; N349-R359 PolarHBondContact OD1-NH2 3.09Å; L354-R359 HydrophobicContact CB-CG 4.12Å; L354-R359 HydrophobicContact CD1-CG 4.41Å; P355-R359 PolarHBondContact O-N 3.48Å; T356-R359 PolarHBondContact O-N 3.03Å; R359-L363 PolarHBondContact O-N 3.41Å; R359-L363 VanDerWaalsContact O-N 3.14Å; R359-N388 PolarHBondContact NE-OD1 3.05Å; R359-N388 PolarHBondContact NH2-OD1 2.89Å |
| 360 | R | 91 | Very high | 89 | Confident | 93 Ų | 93 | 58 Ų | 58 | 35% | 0.351 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 175.3 | -71.8 | 172.2 | 179.2 | 178 | 0.5 | 111.8 | T356 H357 F358 L363 R364 D392 | T356-R360 WeakPolarHBondContact O-CB 3.32Å; T356-R360 VanDerWaalsContact O-CG 3.3Å; T356-R360 WeakPolarHBondContact O-CG 3.38Å; T356-R360 PolarHBondContact O-N 3.01Å; H357-R360 PolarHBondContact O-N 3.23Å; F358-R360 VanDerWaalsContact C-N 3.29Å; F358-R360 PolarHBondContact O-N 3.33Å; R360-L363 PolarHBondContact O-N 3.35Å; R360-R364 VanDerWaalsContact O-CG 3.29Å; R360-R364 WeakPolarHBondContact O-CG 3.27Å; R360-R364 PolarHBondContact O-N 2.94Å; R360-D392 IonicContact CZ-OD2 3.13Å; R360-D392 IonicContact NE-OD2 3.15Å; R360-D392 IonicContact NH2-OD1 2.65Å; R360-D392 IonicContact NH2-OD2 2.92Å; R360-D392 PolarHBondContact NH2-OD2 3.34Å |
| 361 | S | 91.3 | Very high | 89.1 | Confident | 69 Ų | 69 | 63.5 Ų | 63.5 | 48% | 0.483 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 175.9 | -165.5 | 0 | 0 | 0 | 0 | 111.4 | H357 F358 L363 R364 E365 | H357-S361 WeakPolarHBondContact O-CB 3.49Å; H357-S361 PolarHBondContact O-N 2.99Å; F358-S361 WeakPolarHBondContact O-CB 3.36Å; F358-S361 PolarHBondContact O-N 3.18Å; S361-L363 PolarHBondContact O-N 3.44Å; S361-R364 PolarHBondContact O-N 3.44Å; S361-E365 WeakPolarHBondContact O-CB 3.29Å; S361-E365 PolarHBondContact O-N 3.25Å |
| 362 | V | 91.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 177.4 | 171.5 | 0 | 0 | 0 | 0 | 111 | I329 I333 F345 F358 R364 E365 L366 | I329-V362 HydrophobicContact CG2-CG2 4.45Å; I333-V362 HydrophobicContact CD1-CG1 3.73Å; F345-V362 HydrophobicContact CZ-CB 4.19Å; F345-V362 HydrophobicContact CZ-CG1 4.01Å; F358-V362 HydrophobicContact CD1-CG2 4.48Å; F358-V362 HydrophobicContact CD2-CG2 4.44Å; F358-V362 HydrophobicContact CE1-CG2 4.02Å; F358-V362 HydrophobicContact CE2-CG2 3.97Å; F358-V362 HydrophobicContact CZ-CG2 3.75Å; F358-V362 WeakPolarHBondContact O-CG2 3.43Å; F358-V362 PolarHBondContact O-N 3.44Å; V362-R364 PolarHBondContact O-N 2.93Å; V362-E365 PolarHBondContact O-N 2.81Å; V362-L366 HydrophobicContact CG1-CD1 3.99Å; V362-L366 WeakPolarHBondContact O-CG 3.25Å; V362-L366 PolarHBondContact O-N 2.93Å |
| 363 | L | 92 | Very high | 89.2 | Confident | 19 Ų | 19 | 65.5 Ų | 65.5 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62 | -41.9 | 177 | 176.6 | 60 | 0 | 0 | 0 | 112.2 | R359 R360 S361 L366 L367 C381 L384 C385 | R359-L363 PolarHBondContact O-N 3.41Å; R359-L363 VanDerWaalsContact O-N 3.14Å; R360-L363 PolarHBondContact O-N 3.35Å; S361-L363 PolarHBondContact O-N 3.44Å; L363-L366 PolarHBondContact O-N 3.42Å; L363-L367 HydrophobicContact CD1-CD1 4.04Å; L363-L367 HydrophobicContact CD1-CG 4.1Å; L363-L367 HydrophobicContact CG-CD1 3.94Å; L363-L367 HydrophobicContact CG-CG 4.45Å; L363-L367 WeakPolarHBondContact O-CB 3.22Å; L363-L367 VanDerWaalsContact O-CG 3.27Å; L363-L367 WeakPolarHBondContact O-CG 3.12Å; L363-L367 PolarHBondContact O-N 2.9Å; L363-C381 HydrophobicContact CD1-CB 4.28Å; L363-C381 WeakPolarHBondContact CD1-O 3.46Å; L363-L384 HydrophobicContact CD1-CB 3.98Å; L363-C385 HydrophobicContact CD2-CB 4.24Å |
| 364 | R | 91.1 | Very high | 89.1 | Confident | 178 Ų | 178 | 67.4 Ų | 67.4 | 67% | 0.672 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.3 | -41.8 | 177.4 | -74 | 175.8 | -163.2 | -179.2 | 3.9 | 112 | R360 S361 V362 L367 Y368 | R360-R364 VanDerWaalsContact O-CG 3.29Å; R360-R364 WeakPolarHBondContact O-CG 3.27Å; R360-R364 PolarHBondContact O-N 2.94Å; S361-R364 PolarHBondContact O-N 3.44Å; V362-R364 PolarHBondContact O-N 2.93Å; R364-L367 PolarHBondContact O-N 3.39Å; R364-Y368 WeakPolarHBondContact O-CB 3.33Å; R364-Y368 PolarHBondContact O-N 2.98Å |
| 365 | E | 90.7 | Very high | 88.7 | Confident | 75 Ų | 75 | 73 Ų | 73 | 35% | 0.35 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 177.1 | -176.3 | 178.6 | 177.1 | 0 | 0 | 111.2 | S361 V362 Y368 R369 | S361-E365 WeakPolarHBondContact O-CB 3.29Å; S361-E365 PolarHBondContact O-N 3.25Å; V362-E365 PolarHBondContact O-N 2.81Å; E365-Y368 WeakPolarHBondContact O-CB 3.38Å; E365-Y368 PolarHBondContact O-N 2.92Å; E365-R369 WeakPolarHBondContact O-CG 3.35Å; E365-R369 PolarHBondContact O-N 3.16Å; E365-R369 IonicContact OE1-CZ 3.86Å; E365-R369 IonicContact OE1-NE 2.78Å; E365-R369 IonicContact OE1-NH2 3.26Å; E365-R369 PolarHBondContact OE1-NH2 3.37Å |
| 366 | L | 90.1 | Very high | 88.3 | Confident | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.9 | -37.5 | 178.5 | -67.1 | 171.9 | 0 | 0 | 0 | 112.5 | I333 V362 L363 Y368 R369 A370 L377 L380 C381 L384 | I333-L366 HydrophobicContact CG2-CD2 4.43Å; V362-L366 HydrophobicContact CG1-CD1 3.99Å; V362-L366 WeakPolarHBondContact O-CG 3.25Å; V362-L366 PolarHBondContact O-N 2.93Å; L363-L366 PolarHBondContact O-N 3.42Å; L366-Y368 VanDerWaalsContact C-N 3.33Å; L366-R369 PolarHBondContact O-N 3.41Å; L366-A370 WeakPolarHBondContact O-CB 3.39Å; L366-A370 PolarHBondContact O-N 3.39Å; L366-L377 HydrophobicContact CD2-CD2 4.12Å; L366-L380 HydrophobicContact CD1-CD2 3.94Å; L366-L380 HydrophobicContact CD1-CG 4.5Å; L366-L380 HydrophobicContact CD2-CD2 4.5Å; L366-C381 VanDerWaalsContact C-SG 3.53Å; L366-L384 HydrophobicContact CD1-CD1 3.38Å |
| 367 | L | 89.8 | Confident | 88.3 | Confident | 71 Ų | 71 | 71.2 Ų | 71.2 | 37% | 0.372 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 173.6 | -79.8 | 169.5 | 0 | 0 | 0 | 111.8 | L363 R364 A370 Q371 C381 | L363-L367 HydrophobicContact CD1-CD1 4.04Å; L363-L367 HydrophobicContact CD1-CG 4.1Å; L363-L367 HydrophobicContact CG-CD1 3.94Å; L363-L367 HydrophobicContact CG-CG 4.45Å; L363-L367 WeakPolarHBondContact O-CB 3.22Å; L363-L367 VanDerWaalsContact O-CG 3.27Å; L363-L367 WeakPolarHBondContact O-CG 3.12Å; L363-L367 PolarHBondContact O-N 2.9Å; R364-L367 PolarHBondContact O-N 3.39Å; L367-A370 PolarHBondContact O-N 3.15Å; L367-Q371 VanDerWaalsContact O-CG 3.31Å; L367-Q371 WeakPolarHBondContact O-CG 3.46Å; L367-Q371 PolarHBondContact O-N 2.63Å; L367-C381 HydrophobicContact CD2-CB 3.58Å; L367-C381 HydrophobicContact CG-CB 4.08Å |
| 368 | Y | 89.7 | Confident | 88.1 | Confident | 140 Ų | 140 | 69.4 Ų | 69.4 | 55% | 0.549 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 176 | 179.4 | -105.7 | 0 | 0 | 0 | 111.3 | R364 E365 L366 A370 Q371 Q372 | R364-Y368 WeakPolarHBondContact O-CB 3.33Å; R364-Y368 PolarHBondContact O-N 2.98Å; E365-Y368 WeakPolarHBondContact O-CB 3.38Å; E365-Y368 PolarHBondContact O-N 2.92Å; L366-Y368 VanDerWaalsContact C-N 3.33Å; Y368-A370 PolarHBondContact O-N 3.02Å; Y368-Q371 WeakPolarHBondContact O-CB 3.3Å; Y368-Q371 PolarHBondContact O-N 3.18Å; Y368-Q372 HydrophobicContact CE1-CG 4.41Å; Y368-Q372 WeakPolarHBondContact O-CG 3.36Å; Y368-Q372 PolarHBondContact O-N 3.35Å; Y368-Q372 VanDerWaalsContact O-N 3.07Å; Y368-Q372 PolarHBondContact OH-NE2 2.91Å |
| 369 | R | 88.2 | Confident | 88 | Confident | 73 Ų | 73 | 71.3 Ų | 71.3 | 28% | 0.275 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 174.4 | -66.2 | -179.2 | -167.3 | -155.6 | 3.8 | 112.8 | E365 L366 Q371 Q372 G373 E374 L377 | E365-R369 WeakPolarHBondContact O-CG 3.35Å; E365-R369 PolarHBondContact O-N 3.16Å; E365-R369 IonicContact OE1-CZ 3.86Å; E365-R369 IonicContact OE1-NE 2.78Å; E365-R369 IonicContact OE1-NH2 3.26Å; E365-R369 PolarHBondContact OE1-NH2 3.37Å; L366-R369 PolarHBondContact O-N 3.41Å; R369-Q371 PolarHBondContact O-N 2.96Å; R369-Q372 WeakPolarHBondContact O-CB 3.46Å; R369-Q372 PolarHBondContact O-N 3.02Å; R369-Q372 VanDerWaalsContact O-N 3.17Å; R369-G373 PolarHBondContact O-N 3.09Å; R369-E374 PolarHBondContact O-N 3.49Å; R369-L377 HydrophobicContact CB-CD1 3.57Å |
| 370 | A | 88.9 | Confident | 88 | Confident | 12 Ų | 12 | 71.3 Ų | 71.3 | 10% | 0.099 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.4 | -42 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L366 L367 Y368 Q372 G373 L377 | L366-A370 WeakPolarHBondContact O-CB 3.39Å; L366-A370 PolarHBondContact O-N 3.39Å; L367-A370 PolarHBondContact O-N 3.15Å; Y368-A370 PolarHBondContact O-N 3.02Å; A370-Q372 PolarHBondContact O-N 2.97Å; A370-G373 PolarHBondContact O-N 2.99Å; A370-L377 HydrophobicContact CB-CB 3.82Å |
| 371 | Q | 88.6 | Confident | 88 | Confident | 162 Ų | 162 | 67 Ų | 67 | 76% | 0.757 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.7 | -27 | 174.8 | -73.2 | 173.1 | 1 | 0 | 0 | 113.1 | L367 Y368 R369 G373 | L367-Q371 VanDerWaalsContact O-CG 3.31Å; L367-Q371 WeakPolarHBondContact O-CG 3.46Å; L367-Q371 PolarHBondContact O-N 2.63Å; Y368-Q371 WeakPolarHBondContact O-CB 3.3Å; Y368-Q371 PolarHBondContact O-N 3.18Å; R369-Q371 PolarHBondContact O-N 2.96Å; Q371-G373 PolarHBondContact O-N 3.33Å |
| 372 | Q | 89 | Confident | 88 | Confident | 120 Ų | 120 | 69.7 Ų | 69.7 | 56% | 0.561 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -6.2 | 172 | -69.3 | -175.6 | -18.8 | 0 | 0 | 113.6 | Y368 R369 A370 | Y368-Q372 HydrophobicContact CE1-CG 4.41Å; Y368-Q372 WeakPolarHBondContact O-CG 3.36Å; Y368-Q372 PolarHBondContact O-N 3.35Å; Y368-Q372 VanDerWaalsContact O-N 3.07Å; Y368-Q372 PolarHBondContact OH-NE2 2.91Å; R369-Q372 WeakPolarHBondContact O-CB 3.46Å; R369-Q372 PolarHBondContact O-N 3.02Å; R369-Q372 VanDerWaalsContact O-N 3.17Å; A370-Q372 PolarHBondContact O-N 2.97Å |
| 373 | G | 85.3 | Confident | 88.1 | Confident | 60 Ų | 60 | 71.7 Ų | 71.7 | 62% | 0.619 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.4 | 14.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R369 A370 Q371 P375 | R369-G373 PolarHBondContact O-N 3.09Å; A370-G373 PolarHBondContact O-N 2.99Å; Q371-G373 PolarHBondContact O-N 3.33Å; G373-P375 WeakPolarHBondContact O-CD 3.45Å |
| 374 | E | 84.3 | Confident | 88.2 | Confident | 80 Ų | 80 | 70.8 Ų | 70.8 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | trans | -67 | 121.2 | 174.2 | -80.2 | -172.7 | -168.7 | 0 | 0 | 111.5 | R369 L377 | R369-E374 PolarHBondContact O-N 3.49Å; E374-L377 HydrophobicContact CB-CD1 3.7Å; E374-L377 HydrophobicContact CB-CG 4.27Å; E374-L377 VanDerWaalsContact OE2-CD1 3.26Å; E374-L377 WeakPolarHBondContact OE2-CD1 3.37Å | ||
| 375 | P | 78 | Confident | 88.3 | Confident | 127 Ų | 127 | 62.9 Ų | 62.9 | 83% | 0.825 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 140.2 | -173 | 28.2 | -34.4 | 0 | 0 | 0 | 112.4 | G373 L377 | G373-P375 WeakPolarHBondContact O-CD 3.45Å; P375-L377 VanDerWaalsContact C-N 3.34Å; P375-L377 PolarHBondContact O-N 3.08Å |
| 376 | G | 78.8 | Confident | 88.5 | Confident | 52 Ų | 52 | 59.4 Ų | 59.4 | 54% | 0.536 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -19.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | D378 S379 | G376-D378 VanDerWaalsContact C-N 3.33Å; G376-D378 PolarHBondContact O-N 2.68Å; G376-S379 PolarHBondContact O-N 3.2Å; G376-S379 PolarHBondContact O-OG 2.99Å |
| 377 | L | 87.1 | Confident | 88.8 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.4 | -26.4 | -179.4 | -74.5 | -174.4 | 0 | 0 | 0 | 114.3 | Y338 L366 R369 A370 E374 P375 S379 L380 C381 | Y338-L377 HydrophobicContact CD1-CD2 4.48Å; Y338-L377 HydrophobicContact CE1-CD2 3.86Å; Y338-L377 HydrophobicContact CE2-CD2 4.04Å; L366-L377 HydrophobicContact CD2-CD2 4.12Å; R369-L377 HydrophobicContact CB-CD1 3.57Å; A370-L377 HydrophobicContact CB-CB 3.82Å; E374-L377 HydrophobicContact CB-CD1 3.7Å; E374-L377 HydrophobicContact CB-CG 4.27Å; E374-L377 VanDerWaalsContact OE2-CD1 3.26Å; E374-L377 WeakPolarHBondContact OE2-CD1 3.37Å; P375-L377 VanDerWaalsContact C-N 3.34Å; P375-L377 PolarHBondContact O-N 3.08Å; L377-S379 VanDerWaalsContact C-N 3.28Å; L377-S379 PolarHBondContact O-N 3.41Å; L377-L380 HydrophobicContact CD2-CD2 3.82Å; L377-L380 WeakPolarHBondContact O-CB 3.32Å; L377-L380 PolarHBondContact O-N 3.02Å; L377-C381 WeakPolarHBondContact O-CB 3.5Å; L377-C381 PolarHBondContact O-N 2.85Å; L377-C381 PolarHBondContact O-SG 3.41Å |
| 378 | D | 85.5 | Confident | 89 | Confident | 96 Ų | 96 | 56.4 Ų | 56.4 | 51% | 0.513 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.8 | -38.2 | 178.1 | -75.7 | -30.1 | 0 | 0 | 0 | 112.6 | G376 R382 | G376-D378 VanDerWaalsContact C-N 3.33Å; G376-D378 PolarHBondContact O-N 2.68Å; D378-R382 VanDerWaalsContact O-CG 3.29Å; D378-R382 WeakPolarHBondContact O-CG 3.38Å; D378-R382 PolarHBondContact O-N 3.4Å; D378-R382 PolarHBondContact O-NE 2.98Å |
| 379 | S | 87.2 | Confident | 89.2 | Confident | 62 Ų | 62 | 49.7 Ų | 49.7 | 43% | 0.434 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 176.8 | 73.6 | 0 | 0 | 0 | 0 | 111.1 | G376 L377 R382 Q383 | G376-S379 PolarHBondContact O-N 3.2Å; G376-S379 PolarHBondContact O-OG 2.99Å; L377-S379 VanDerWaalsContact C-N 3.28Å; L377-S379 PolarHBondContact O-N 3.41Å; S379-R382 PolarHBondContact O-N 2.96Å; S379-Q383 WeakPolarHBondContact O-CG 3.37Å; S379-Q383 PolarHBondContact O-N 3.29Å; S379-Q383 VanDerWaalsContact O-N 3.1Å |
| 380 | L | 89.9 | Confident | 89.5 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -47.5 | 177.3 | 176.5 | 63.8 | 0 | 0 | 0 | 111.7 | Y338 V342 L366 L377 R382 Q383 L384 | Y338-L380 HydrophobicContact CD1-CD2 3.28Å; Y338-L380 HydrophobicContact CD2-CD2 4.41Å; Y338-L380 HydrophobicContact CE1-CD2 3.93Å; Y338-L380 HydrophobicContact CG-CD2 3.57Å; V342-L380 HydrophobicContact CG2-CD1 3.39Å; L366-L380 HydrophobicContact CD1-CD2 3.94Å; L366-L380 HydrophobicContact CD1-CG 4.5Å; L366-L380 HydrophobicContact CD2-CD2 4.5Å; L377-L380 HydrophobicContact CD2-CD2 3.82Å; L377-L380 WeakPolarHBondContact O-CB 3.32Å; L377-L380 PolarHBondContact O-N 3.02Å; L380-R382 VanDerWaalsContact C-N 3.26Å; L380-R382 PolarHBondContact O-N 3.23Å; L380-Q383 WeakPolarHBondContact O-CB 3.46Å; L380-Q383 PolarHBondContact O-N 3.14Å; L380-L384 HydrophobicContact CD1-CD1 4.05Å; L380-L384 HydrophobicContact CD1-CG 4Å; L380-L384 HydrophobicContact CG-CD1 3.97Å; L380-L384 HydrophobicContact CG-CG 4.29Å; L380-L384 WeakPolarHBondContact O-CG 3.41Å; L380-L384 PolarHBondContact O-N 3.34Å |
| 381 | C | 91.7 | Very high | 89.7 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.027 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.9 | -38.9 | 179.8 | -69.3 | 0 | 0 | 0 | 0 | 111.3 | L363 L366 L367 L377 C385 | L363-C381 HydrophobicContact CD1-CB 4.28Å; L363-C381 WeakPolarHBondContact CD1-O 3.46Å; L366-C381 VanDerWaalsContact C-SG 3.53Å; L367-C381 HydrophobicContact CD2-CB 3.58Å; L367-C381 HydrophobicContact CG-CB 4.08Å; L377-C381 WeakPolarHBondContact O-CB 3.5Å; L377-C381 PolarHBondContact O-N 2.85Å; L377-C381 PolarHBondContact O-SG 3.41Å; C381-C385 WeakPolarHBondContact O-CB 3.35Å; C381-C385 PolarHBondContact O-N 2.9Å |
| 382 | R | 91.6 | Very high | 89.9 | Confident | 124 Ų | 124 | 39.1 Ų | 39.1 | 47% | 0.468 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.6 | -44.3 | 173.2 | -71.3 | -175.3 | -73.6 | -140.1 | -2.5 | 111.7 | D378 S379 L380 C385 V386 L406 | D378-R382 VanDerWaalsContact O-CG 3.29Å; D378-R382 WeakPolarHBondContact O-CG 3.38Å; D378-R382 PolarHBondContact O-N 3.4Å; D378-R382 PolarHBondContact O-NE 2.98Å; S379-R382 PolarHBondContact O-N 2.96Å; L380-R382 VanDerWaalsContact C-N 3.26Å; L380-R382 PolarHBondContact O-N 3.23Å; R382-C385 WeakPolarHBondContact O-CB 3.38Å; R382-C385 PolarHBondContact O-N 3.22Å; R382-V386 WeakPolarHBondContact O-CG2 3.49Å; R382-V386 PolarHBondContact O-N 3.42Å; R382-L406 HydrophobicContact CB-CD1 3.83Å; R382-L406 HydrophobicContact CG-CD1 3.43Å; R382-L406 VanDerWaalsContact CG-CD1 3.43Å |
| 383 | Q | 92.9 | Very high | 90.1 | Very high | 44 Ų | 44 | 33.9 Ų | 33.9 | 21% | 0.206 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 177.3 | -71.7 | 177.6 | -43 | 0 | 0 | 112.5 | V342 S379 L380 C385 V386 C387 F417 | V342-Q383 HydrophobicContact CG1-CB 4.42Å; V342-Q383 HydrophobicContact CG2-CB 4.06Å; S379-Q383 WeakPolarHBondContact O-CG 3.37Å; S379-Q383 PolarHBondContact O-N 3.29Å; S379-Q383 VanDerWaalsContact O-N 3.1Å; L380-Q383 WeakPolarHBondContact O-CB 3.46Å; L380-Q383 PolarHBondContact O-N 3.14Å; Q383-C385 VanDerWaalsContact C-N 3.32Å; Q383-C385 PolarHBondContact O-N 3.37Å; Q383-V386 PolarHBondContact O-N 3.04Å; Q383-C387 PolarHBondContact O-N 3.16Å; Q383-C387 PolarHBondContact O-SG 2.62Å; Q383-F417 HydrophobicContact CB-CD1 4.43Å; Q383-F417 HydrophobicContact CB-CE1 3.66Å; Q383-F417 HydrophobicContact CB-CZ 3.9Å; Q383-F417 HydrophobicContact CG-CD1 4.12Å; Q383-F417 HydrophobicContact CG-CE1 3.77Å; Q383-F417 HydrophobicContact CG-CZ 3.99Å |
| 384 | L | 93.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.5 | -34.8 | 176.6 | -66.5 | 179.5 | 0 | 0 | 0 | 112 | V341 V342 F345 L363 L366 L380 C387 N388 | V341-L384 HydrophobicContact CG1-CD1 4.47Å; V341-L384 HydrophobicContact CG1-CD2 4.22Å; V342-L384 HydrophobicContact CG2-CD2 4.09Å; F345-L384 HydrophobicContact CB-CD2 4.18Å; F345-L384 HydrophobicContact CD1-CD2 3.75Å; F345-L384 HydrophobicContact CD2-CD2 4.17Å; F345-L384 HydrophobicContact CE1-CD2 4.15Å; F345-L384 HydrophobicContact CG-CD2 3.78Å; L363-L384 HydrophobicContact CD1-CB 3.98Å; L366-L384 HydrophobicContact CD1-CD1 3.38Å; L380-L384 HydrophobicContact CD1-CD1 4.05Å; L380-L384 HydrophobicContact CD1-CG 4Å; L380-L384 HydrophobicContact CG-CD1 3.97Å; L380-L384 HydrophobicContact CG-CG 4.29Å; L380-L384 WeakPolarHBondContact O-CG 3.41Å; L380-L384 PolarHBondContact O-N 3.34Å; L384-C387 PolarHBondContact O-N 2.92Å; L384-N388 WeakPolarHBondContact O-CB 3.3Å; L384-N388 PolarHBondContact O-N 3.4Å |
| 385 | C | 94.4 | Very high | 90.6 | Very high | 13 Ų | 13 | 29.9 Ų | 29.9 | 9% | 0.088 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.1 | -45.2 | 171.5 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | L363 C381 R382 Q383 N388 A389 | L363-C385 HydrophobicContact CD2-CB 4.24Å; C381-C385 WeakPolarHBondContact O-CB 3.35Å; C381-C385 PolarHBondContact O-N 2.9Å; R382-C385 WeakPolarHBondContact O-CB 3.38Å; R382-C385 PolarHBondContact O-N 3.22Å; Q383-C385 VanDerWaalsContact C-N 3.32Å; Q383-C385 PolarHBondContact O-N 3.37Å; C385-N388 PolarHBondContact O-N 3.04Å; C385-A389 WeakPolarHBondContact O-CB 3.39Å; C385-A389 PolarHBondContact O-N 3.2Å |
| 386 | V | 95.1 | Very high | 91.2 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.2 | -45 | 173.4 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | R382 Q383 N388 A389 V390 F403 L406 I414 F417 L418 | R382-V386 WeakPolarHBondContact O-CG2 3.49Å; R382-V386 PolarHBondContact O-N 3.42Å; Q383-V386 PolarHBondContact O-N 3.04Å; V386-N388 VanDerWaalsContact C-N 3.32Å; V386-N388 PolarHBondContact O-N 3.28Å; V386-A389 PolarHBondContact O-N 2.88Å; V386-V390 HydrophobicContact CG1-CG2 4.34Å; V386-V390 WeakPolarHBondContact O-CG2 3.46Å; V386-V390 PolarHBondContact O-N 3.37Å; V386-F403 HydrophobicContact CG2-CE2 4.33Å; V386-L406 HydrophobicContact CG2-CD2 3.66Å; V386-I414 HydrophobicContact CG2-CG2 4.28Å; V386-F417 HydrophobicContact CB-CD1 4.17Å; V386-F417 HydrophobicContact CB-CE1 4.15Å; V386-F417 HydrophobicContact CG1-CD1 4.04Å; V386-F417 HydrophobicContact CG1-CE1 4.21Å; V386-L418 HydrophobicContact CG1-CB 3.79Å; V386-L418 HydrophobicContact CG1-CD1 4.35Å; V386-L418 HydrophobicContact CG1-CG 4.1Å |
| 387 | C | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.3 | -43 | 178.9 | -65.1 | 0 | 0 | 0 | 0 | 112.2 | F345 N349 Q383 L384 R391 | F345-C387 HydrophobicContact CB-CB 4.09Å; F345-C387 HydrophobicContact CD1-CB 4.45Å; N349-C387 PolarHBondContact ND2-O 3.22Å; N349-C387 PolarHBondContact OD1-O 2.84Å; Q383-C387 PolarHBondContact O-N 3.16Å; Q383-C387 PolarHBondContact O-SG 2.62Å; L384-C387 PolarHBondContact O-N 2.92Å; C387-R391 PolarHBondContact O-N 3.26Å |
| 388 | N | 94.8 | Very high | 91.8 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 5% | 0.053 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.2 | -38.5 | 176.4 | -71.2 | -16.5 | 0 | 0 | 0 | 112.2 | R359 L384 C385 V386 R391 D392 | R359-N388 PolarHBondContact NE-OD1 3.05Å; R359-N388 PolarHBondContact NH2-OD1 2.89Å; L384-N388 WeakPolarHBondContact O-CB 3.3Å; L384-N388 PolarHBondContact O-N 3.4Å; C385-N388 PolarHBondContact O-N 3.04Å; V386-N388 VanDerWaalsContact C-N 3.32Å; V386-N388 PolarHBondContact O-N 3.28Å; N388-R391 WeakPolarHBondContact O-CB 3.38Å; N388-R391 PolarHBondContact O-N 2.94Å; N388-D392 WeakPolarHBondContact O-CB 3.47Å; N388-D392 VanDerWaalsContact O-CG 3.3Å; N388-D392 PolarHBondContact O-N 3.37Å |
| 389 | A | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.5 | -40.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | C385 V386 D392 A393 L399 F403 | C385-A389 WeakPolarHBondContact O-CB 3.39Å; C385-A389 PolarHBondContact O-N 3.2Å; V386-A389 PolarHBondContact O-N 2.88Å; A389-D392 PolarHBondContact O-N 3.04Å; A389-A393 VanDerWaalsContact O-CB 3.26Å; A389-A393 WeakPolarHBondContact O-CB 3.37Å; A389-A393 PolarHBondContact O-N 3.49Å; A389-L399 HydrophobicContact CB-CD2 4.39Å; A389-L399 WeakPolarHBondContact O-CD2 3.48Å; A389-F403 HydrophobicContact CB-CB 3.97Å; A389-F403 HydrophobicContact CB-CD1 3.88Å; A389-F403 HydrophobicContact CB-CD2 3.47Å; A389-F403 VanDerWaalsContact CB-CD2 3.47Å; A389-F403 HydrophobicContact CB-CE1 4.23Å; A389-F403 HydrophobicContact CB-CE2 3.88Å; A389-F403 HydrophobicContact CB-CG 3.47Å; A389-F403 VanDerWaalsContact CB-CG 3.47Å; A389-F403 HydrophobicContact CB-CZ 4.24Å |
| 390 | V | 94.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.8 | -42.1 | 174.1 | 173 | 0 | 0 | 0 | 0 | 110.9 | V386 A393 L394 V421 F440 | V386-V390 HydrophobicContact CG1-CG2 4.34Å; V386-V390 WeakPolarHBondContact O-CG2 3.46Å; V386-V390 PolarHBondContact O-N 3.37Å; V390-A393 PolarHBondContact O-N 3.43Å; V390-L394 HydrophobicContact CG1-CD1 3.89Å; V390-L394 HydrophobicContact CG1-CG 4.31Å; V390-L394 WeakPolarHBondContact O-CB 3.45Å; V390-L394 VanDerWaalsContact O-CG 3.22Å; V390-L394 WeakPolarHBondContact O-CG 3.25Å; V390-L394 PolarHBondContact O-N 2.92Å; V390-V421 HydrophobicContact CB-CG1 4.02Å; V390-V421 HydrophobicContact CG1-CG1 4.12Å; V390-V421 HydrophobicContact CG2-CB 4.46Å; V390-V421 HydrophobicContact CG2-CG1 3.94Å; V390-F440 HydrophobicContact CG2-CE1 4.35Å |
| 391 | R | 92.9 | Very high | 92.2 | Very high | 15 Ų | 15 | 36.5 Ų | 36.5 | 6% | 0.057 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.3 | -52 | 173.8 | -173.2 | 80.1 | -176.9 | 91.7 | 25.5 | 111.4 | N349 C387 N388 A393 L394 D395 | N349-R391 PolarHBondContact O-NH1 3.27Å; C387-R391 PolarHBondContact O-N 3.26Å; N388-R391 WeakPolarHBondContact O-CB 3.38Å; N388-R391 PolarHBondContact O-N 2.94Å; R391-A393 PolarHBondContact O-N 3.18Å; R391-L394 PolarHBondContact O-N 3.15Å; R391-D395 IonicContact CZ-OD1 3.67Å; R391-D395 IonicContact CZ-OD2 3.65Å; R391-D395 IonicContact NE-OD2 3.55Å; R391-D395 VanDerWaalsContact NH1-CG 3.32Å; R391-D395 IonicContact NH1-OD1 3.38Å; R391-D395 PolarHBondContact NH1-OD1 3Å; R391-D395 IonicContact NH1-OD2 2.74Å; R391-D395 PolarHBondContact NH1-OD2 3.03Å; R391-D395 VanDerWaalsContact NH1-OD2 3.1Å; R391-D395 IonicContact NH2-OD1 2.73Å; R391-D395 IonicContact NH2-OD2 2.68Å; R391-D395 PolarHBondContact NH2-OD2 2.9Å; R391-D395 PolarHBondContact O-N 3.47Å |
| 392 | D | 92.7 | Very high | 91.9 | Very high | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.4 | -43.3 | -178.4 | -72.6 | -6.2 | 0 | 0 | 0 | 110 | R360 N388 A389 L394 D395 G396 E397 | R360-D392 IonicContact CZ-OD2 3.13Å; R360-D392 IonicContact NE-OD2 3.15Å; R360-D392 IonicContact NH2-OD1 2.65Å; R360-D392 IonicContact NH2-OD2 2.92Å; R360-D392 PolarHBondContact NH2-OD2 3.34Å; N388-D392 WeakPolarHBondContact O-CB 3.47Å; N388-D392 VanDerWaalsContact O-CG 3.3Å; N388-D392 PolarHBondContact O-N 3.37Å; A389-D392 PolarHBondContact O-N 3.04Å; D392-L394 PolarHBondContact O-N 3.05Å; D392-D395 PolarHBondContact O-N 3.05Å; D392-G396 PolarHBondContact O-N 3.31Å; D392-E397 HydrophobicContact CB-CB 3.98Å; D392-E397 PolarHBondContact O-N 3.38Å |
| 393 | A | 92.7 | Very high | 91.9 | Very high | 11 Ų | 11 | 32.2 Ų | 32.2 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.5 | -48.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A389 V390 R391 D395 G396 L399 N436 F440 | A389-A393 VanDerWaalsContact O-CB 3.26Å; A389-A393 WeakPolarHBondContact O-CB 3.37Å; A389-A393 PolarHBondContact O-N 3.49Å; V390-A393 PolarHBondContact O-N 3.43Å; R391-A393 PolarHBondContact O-N 3.18Å; A393-D395 VanDerWaalsContact C-N 3.28Å; A393-D395 PolarHBondContact O-N 3.43Å; A393-G396 PolarHBondContact O-N 3.43Å; A393-G396 VanDerWaalsContact O-N 3.1Å; A393-L399 HydrophobicContact CB-CD2 4.04Å; A393-N436 VanDerWaalsContact O-CB 3.32Å; A393-N436 WeakPolarHBondContact O-CB 3.48Å; A393-F440 HydrophobicContact CB-CB 4.14Å; A393-F440 HydrophobicContact CB-CD1 4.35Å; A393-F440 HydrophobicContact CB-CD2 3.78Å; A393-F440 HydrophobicContact CB-CE2 4.23Å; A393-F440 HydrophobicContact CB-CG 3.83Å |
| 394 | L | 91.5 | Very high | 91.7 | Very high | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.3 | -33.8 | -179.1 | -70.3 | 173 | 0 | 0 | 0 | 112.3 | V390 R391 D392 G396 L426 A433 N436 A437 | V390-L394 HydrophobicContact CG1-CD1 3.89Å; V390-L394 HydrophobicContact CG1-CG 4.31Å; V390-L394 WeakPolarHBondContact O-CB 3.45Å; V390-L394 VanDerWaalsContact O-CG 3.22Å; V390-L394 WeakPolarHBondContact O-CG 3.25Å; V390-L394 PolarHBondContact O-N 2.92Å; R391-L394 PolarHBondContact O-N 3.15Å; D392-L394 PolarHBondContact O-N 3.05Å; L394-G396 VanDerWaalsContact C-N 3.31Å; L394-L426 HydrophobicContact CD2-CD1 4.03Å; L394-A433 HydrophobicContact CD2-CB 4.43Å; L394-N436 PolarHBondContact O-ND2 2.81Å; L394-N436 VanDerWaalsContact O-ND2 3.17Å; L394-A437 HydrophobicContact CD2-CB 3.89Å |
| 395 | D | 89.6 | Confident | 91.4 | Very high | 48 Ų | 48 | 42.2 Ų | 42.2 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -79.6 | -12.6 | 176.5 | -72.7 | -10.3 | 0 | 0 | 0 | 113.1 | R352 R391 D392 A393 E397 | R352-D395 IonicContact CZ-OD1 2.69Å; R352-D395 IonicContact NE-OD1 3.35Å; R352-D395 IonicContact NH1-OD1 2.74Å; R352-D395 PolarHBondContact NH1-OD1 3.43Å; R352-D395 IonicContact NH2-OD1 3.66Å; R352-D395 PolarHBondContact NH2-OD1 3.29Å; R391-D395 IonicContact CZ-OD1 3.67Å; R391-D395 IonicContact CZ-OD2 3.65Å; R391-D395 IonicContact NE-OD2 3.55Å; R391-D395 VanDerWaalsContact NH1-CG 3.32Å; R391-D395 IonicContact NH1-OD1 3.38Å; R391-D395 PolarHBondContact NH1-OD1 3Å; R391-D395 IonicContact NH1-OD2 2.74Å; R391-D395 PolarHBondContact NH1-OD2 3.03Å; R391-D395 VanDerWaalsContact NH1-OD2 3.1Å; R391-D395 IonicContact NH2-OD1 2.73Å; R391-D395 IonicContact NH2-OD2 2.68Å; R391-D395 PolarHBondContact NH2-OD2 2.9Å; R391-D395 PolarHBondContact O-N 3.47Å; D392-D395 PolarHBondContact O-N 3.05Å; A393-D395 VanDerWaalsContact C-N 3.28Å; A393-D395 PolarHBondContact O-N 3.43Å; D395-E397 HydrophobicContact CB-CG 4.22Å |
| 396 | G | 89.3 | Confident | 91.1 | Very high | 54 Ų | 54 | 42.8 Ų | 42.8 | 56% | 0.557 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | 19.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D392 A393 L394 N436 | D392-G396 PolarHBondContact O-N 3.31Å; A393-G396 PolarHBondContact O-N 3.43Å; A393-G396 VanDerWaalsContact O-N 3.1Å; L394-G396 VanDerWaalsContact C-N 3.31Å; G396-N436 PolarHBondContact N-ND2 2.73Å |
| 397 | E | 90.3 | Very high | 90.7 | Very high | 115 Ų | 115 | 44.2 Ų | 44.2 | 54% | 0.537 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 161.8 | 178.5 | -67.4 | -68.3 | 157.3 | 0 | 0 | 111.8 | D392 D395 | D392-E397 HydrophobicContact CB-CB 3.98Å; D392-E397 PolarHBondContact O-N 3.38Å; D395-E397 HydrophobicContact CB-CG 4.22Å |
| 398 | V | 89.4 | Confident | 90.3 | Very high | 122 Ų | 122 | 51.3 Ų | 51.3 | 74% | 0.739 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 131.2 | 178 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 399 | L | 90.8 | Very high | 89.8 | Confident | 46 Ų | 46 | 60 Ų | 60 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 140.6 | 177.1 | -55.7 | 177.6 | 0 | 0 | 0 | 111.5 | A389 A393 F403 F440 | A389-L399 HydrophobicContact CB-CD2 4.39Å; A389-L399 WeakPolarHBondContact O-CD2 3.48Å; A393-L399 HydrophobicContact CB-CD2 4.04Å; L399-F403 HydrophobicContact CB-CD1 4.29Å; L399-F403 HydrophobicContact CD1-CD1 4.04Å; L399-F403 HydrophobicContact CD1-CE1 3.99Å; L399-F440 HydrophobicContact CD1-CD2 4.06Å; L399-F440 HydrophobicContact CD1-CE2 3.76Å; L399-F440 HydrophobicContact CD2-CE2 4.19Å |
| 400 | S | 89.3 | Confident | 89.4 | Confident | 49 Ų | 49 | 61.1 Ų | 61.1 | 34% | 0.343 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 149.3 | 179.3 | 77.8 | 0 | 0 | 0 | 0 | 113.2 | G402 F403 Q404 | S400-G402 PolarHBondContact O-N 2.99Å; S400-F403 WeakPolarHBondContact O-CB 3.01Å; S400-F403 PolarHBondContact O-N 3.38Å; S400-F403 PolarHBondContact OG-N 2.94Å; S400-Q404 PolarHBondContact O-N 3.43Å |
| 401 | V | 89.3 | Confident | 89 | Confident | 93 Ų | 93 | 62.8 Ų | 62.8 | 56% | 0.564 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -58.2 | -35.6 | 173.8 | 178 | 0 | 0 | 0 | 0 | 111.6 | F403 Q404 Q405 | V401-F403 PolarHBondContact O-N 3.45Å; V401-Q404 PolarHBondContact O-N 3.29Å; V401-Q404 VanDerWaalsContact O-N 3.11Å; V401-Q405 HydrophobicContact CG1-CG 4.4Å; V401-Q405 WeakPolarHBondContact O-CG 3.45Å; V401-Q405 PolarHBondContact O-N 3.35Å |
| 402 | G | 86.3 | Confident | 88.8 | Confident | 37 Ų | 37 | 68 Ų | 68 | 38% | 0.381 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.9 | -33.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | S400 L406 | S400-G402 PolarHBondContact O-N 2.99Å; G402-L406 PolarHBondContact O-N 2.96Å |
| 403 | F | 90.6 | Very high | 88.7 | Confident | 1 Ų | 1 | 78.2 Ų | 78.2 | 0% | 0.004 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -72.8 | -39.5 | 173.4 | 178.6 | -107.2 | 0 | 0 | 0 | 112.2 | V386 A389 L399 S400 V401 Q405 L406 L407 L418 F440 | V386-F403 HydrophobicContact CG2-CE2 4.33Å; A389-F403 HydrophobicContact CB-CB 3.97Å; A389-F403 HydrophobicContact CB-CD1 3.88Å; A389-F403 HydrophobicContact CB-CD2 3.47Å; A389-F403 VanDerWaalsContact CB-CD2 3.47Å; A389-F403 HydrophobicContact CB-CE1 4.23Å; A389-F403 HydrophobicContact CB-CE2 3.88Å; A389-F403 HydrophobicContact CB-CG 3.47Å; A389-F403 VanDerWaalsContact CB-CG 3.47Å; A389-F403 HydrophobicContact CB-CZ 4.24Å; L399-F403 HydrophobicContact CB-CD1 4.29Å; L399-F403 HydrophobicContact CD1-CD1 4.04Å; L399-F403 HydrophobicContact CD1-CE1 3.99Å; S400-F403 WeakPolarHBondContact O-CB 3.01Å; S400-F403 PolarHBondContact O-N 3.38Å; S400-F403 PolarHBondContact OG-N 2.94Å; V401-F403 PolarHBondContact O-N 3.45Å; F403-Q405 VanDerWaalsContact C-N 3.32Å; F403-Q405 PolarHBondContact O-N 2.86Å; F403-L406 HydrophobicContact CD2-CD2 4.24Å; F403-L406 HydrophobicContact CE2-CD2 4.4Å; F403-L406 VanDerWaalsContact O-CB 3.25Å; F403-L406 WeakPolarHBondContact O-CB 3.41Å; F403-L406 PolarHBondContact O-N 2.95Å; F403-L407 HydrophobicContact CD1-CD1 4.05Å; F403-L407 HydrophobicContact CE1-CD1 3.32Å; F403-L407 HydrophobicContact CE1-CG 4Å; F403-L407 HydrophobicContact CE2-CD1 4.39Å; F403-L407 HydrophobicContact CE2-CD2 4.38Å; F403-L407 HydrophobicContact CE2-CG 4.24Å; F403-L407 HydrophobicContact CZ-CD1 3.52Å; F403-L407 HydrophobicContact CZ-CD2 4.07Å; F403-L407 HydrophobicContact CZ-CG 3.84Å; F403-L407 PolarHBondContact O-N 3.32Å; F403-L407 VanDerWaalsContact O-N 3.14Å; F403-L418 HydrophobicContact CE2-CD1 3.7Å; F403-L418 HydrophobicContact CZ-CD1 3.54Å; F403-F440 AromaticContact CE1-CE2 3.88Å; F403-F440 HydrophobicContact CE1-CE2 3.88Å; F403-F440 HydrophobicContact CE1-CZ 4.08Å; F403-F440 HydrophobicContact CZ-CE2 4.12Å; F403-F440 AromaticContact CZ-CZ 3.83Å; F403-F440 HydrophobicContact CZ-CZ 3.83Å |
| 404 | Q | 88.9 | Confident | 88.6 | Confident | 114 Ų | 114 | 79.6 Ų | 79.6 | 53% | 0.533 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 175.6 | -66.1 | 178.8 | -17.8 | 0 | 0 | 112 | S400 V401 L406 L407 L408 | S400-Q404 PolarHBondContact O-N 3.43Å; V401-Q404 PolarHBondContact O-N 3.29Å; V401-Q404 VanDerWaalsContact O-N 3.11Å; Q404-L406 VanDerWaalsContact C-N 3.32Å; Q404-L406 PolarHBondContact O-N 3.03Å; Q404-L407 PolarHBondContact O-N 3.39Å; Q404-L408 PolarHBondContact O-N 3.15Å |
| 405 | Q | 88 | Confident | 88.6 | Confident | 141 Ų | 141 | 79.3 Ų | 79.3 | 66% | 0.659 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.7 | -38.2 | 174.4 | -71.7 | 176.9 | -10.7 | 0 | 0 | 112.3 | V401 F403 L407 L408 | V401-Q405 HydrophobicContact CG1-CG 4.4Å; V401-Q405 WeakPolarHBondContact O-CG 3.45Å; V401-Q405 PolarHBondContact O-N 3.35Å; F403-Q405 VanDerWaalsContact C-N 3.32Å; F403-Q405 PolarHBondContact O-N 2.86Å; Q405-L407 VanDerWaalsContact C-N 3.27Å; Q405-L407 PolarHBondContact O-N 3.15Å; Q405-L408 PolarHBondContact O-N 3.19Å |
| 406 | L | 87.3 | Confident | 88.7 | Confident | 24 Ų | 24 | 80 Ų | 80 | 13% | 0.126 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.9 | -36.6 | 174.4 | -166.7 | 88.2 | 0 | 0 | 0 | 112.1 | R382 V386 G402 F403 Q404 I414 | R382-L406 HydrophobicContact CB-CD1 3.83Å; R382-L406 HydrophobicContact CG-CD1 3.43Å; R382-L406 VanDerWaalsContact CG-CD1 3.43Å; V386-L406 HydrophobicContact CG2-CD2 3.66Å; G402-L406 PolarHBondContact O-N 2.96Å; F403-L406 HydrophobicContact CD2-CD2 4.24Å; F403-L406 HydrophobicContact CE2-CD2 4.4Å; F403-L406 VanDerWaalsContact O-CB 3.25Å; F403-L406 WeakPolarHBondContact O-CB 3.41Å; F403-L406 PolarHBondContact O-N 2.95Å; Q404-L406 VanDerWaalsContact C-N 3.32Å; Q404-L406 PolarHBondContact O-N 3.03Å; L406-I414 HydrophobicContact CD1-CD1 4.1Å; L406-I414 HydrophobicContact CD2-CG2 3.52Å; L406-I414 HydrophobicContact CG-CD1 4.32Å; L406-I414 HydrophobicContact CG-CG2 4.13Å |
| 407 | L | 86.8 | Confident | 88.9 | Confident | 32 Ų | 32 | 78.8 Ų | 78.8 | 17% | 0.168 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -81.3 | -7.6 | -178.2 | -71 | -175 | 0 | 0 | 0 | 114.5 | F403 Q404 Q405 K409 P410 L444 | F403-L407 HydrophobicContact CD1-CD1 4.05Å; F403-L407 HydrophobicContact CE1-CD1 3.32Å; F403-L407 HydrophobicContact CE1-CG 4Å; F403-L407 HydrophobicContact CE2-CD1 4.39Å; F403-L407 HydrophobicContact CE2-CD2 4.38Å; F403-L407 HydrophobicContact CE2-CG 4.24Å; F403-L407 HydrophobicContact CZ-CD1 3.52Å; F403-L407 HydrophobicContact CZ-CD2 4.07Å; F403-L407 HydrophobicContact CZ-CG 3.84Å; F403-L407 PolarHBondContact O-N 3.32Å; F403-L407 VanDerWaalsContact O-N 3.14Å; Q404-L407 PolarHBondContact O-N 3.39Å; Q405-L407 VanDerWaalsContact C-N 3.27Å; Q405-L407 PolarHBondContact O-N 3.15Å; L407-K409 VanDerWaalsContact C-N 3.33Å; L407-K409 PolarHBondContact O-N 3.04Å; L407-P410 HydrophobicContact CD2-CB 4.45Å; L407-P410 VanDerWaalsContact O-CD 3.31Å; L407-P410 WeakPolarHBondContact O-CD 3.42Å; L407-L444 HydrophobicContact CD1-CD1 3.89Å; L407-L444 HydrophobicContact CD2-CD1 3.68Å; L407-L444 HydrophobicContact CG-CD1 4.46Å |
| 408 | L | 86.4 | Confident | 89.1 | Confident | 149 Ų | 149 | 73.3 Ų | 73.3 | 78% | 0.78 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -35.6 | -179.9 | -159.2 | 77.9 | 0 | 0 | 0 | 112.2 | Q404 Q405 | Q404-L408 PolarHBondContact O-N 3.15Å; Q405-L408 PolarHBondContact O-N 3.19Å |
| 409 | K | 84.7 | Confident | 89.3 | Confident | 193 Ų | 193 | 67.6 Ų | 67.6 | 84% | 0.839 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -141.8 | 72.8 | 173.5 | -69.1 | -172.2 | 178.3 | -178.9 | 0 | 109.7 | L407 | L407-K409 VanDerWaalsContact C-N 3.33Å; L407-K409 PolarHBondContact O-N 3.04Å |
| 410 | P | 85.8 | Confident | 89.4 | Confident | 23 Ų | 23 | 69.5 Ų | 69.5 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | trans | -76.3 | 134.7 | -172.7 | 26.3 | -21.4 | 0 | 0 | 0 | 110.2 | L407 V415 L448 L453 | L407-P410 HydrophobicContact CD2-CB 4.45Å; L407-P410 VanDerWaalsContact O-CD 3.31Å; L407-P410 WeakPolarHBondContact O-CD 3.42Å; P410-V415 HydrophobicContact CB-CG2 4.06Å; P410-L448 HydrophobicContact CB-CD2 4.44Å; P410-L448 HydrophobicContact CG-CD2 3.34Å; P410-L453 HydrophobicContact CG-CD1 3.96Å; P410-L453 WeakPolarHBondContact O-CD1 3.24Å | ||
| 411 | G | 86.6 | Confident | 89.7 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 37% | 0.371 | 34% | 0.335 | S | S | . | . | trans | -81.3 | 152 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R413 I414 V415 | G411-R413 VanDerWaalsContact C-N 3.26Å; G411-R413 PolarHBondContact O-N 3.47Å; G411-I414 PolarHBondContact O-N 3.48Å; G411-V415 PolarHBondContact O-N 3.1Å | ||
| 412 | K | 89.5 | Confident | 89.9 | Confident | 124 Ų | 124 | 63.1 Ų | 63.1 | 54% | 0.539 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -49.2 | -45.6 | 177.8 | -171.9 | -175.1 | 173.7 | -177.3 | 0 | 112.9 | I414 V415 D416 L453 | K412-I414 VanDerWaalsContact C-N 3.26Å; K412-I414 PolarHBondContact O-N 3.42Å; K412-V415 PolarHBondContact O-N 2.92Å; K412-V415 VanDerWaalsContact O-N 3.13Å; K412-D416 VanDerWaalsContact O-CG 3.29Å; K412-D416 PolarHBondContact O-N 3.06Å; K412-L453 HydrophobicContact CB-CD2 4.06Å; K412-L453 HydrophobicContact CG-CD2 4.39Å |
| 413 | R | 90 | Very high | 90.1 | Very high | 223 Ų | 223 | 63.8 Ų | 63.8 | 84% | 0.842 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -56.9 | -35.7 | 178.9 | -65.7 | -176.8 | -178.7 | 176.3 | 0.3 | 113.8 | G411 F417 | G411-R413 VanDerWaalsContact C-N 3.26Å; G411-R413 PolarHBondContact O-N 3.47Å; R413-F417 VanDerWaalsContact O-CB 3.27Å; R413-F417 WeakPolarHBondContact O-CB 3.5Å; R413-F417 PolarHBondContact O-N 2.93Å |
| 414 | I | 90.3 | Very high | 90.2 | Very high | 39 Ų | 39 | 68.8 Ų | 68.8 | 20% | 0.2 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -74.2 | -40.5 | -179.5 | -66.1 | 172.7 | 0 | 0 | 0 | 110 | V386 L406 G411 K412 F417 L418 | V386-I414 HydrophobicContact CG2-CG2 4.28Å; L406-I414 HydrophobicContact CD1-CD1 4.1Å; L406-I414 HydrophobicContact CD2-CG2 3.52Å; L406-I414 HydrophobicContact CG-CD1 4.32Å; L406-I414 HydrophobicContact CG-CG2 4.13Å; G411-I414 PolarHBondContact O-N 3.48Å; K412-I414 VanDerWaalsContact C-N 3.26Å; K412-I414 PolarHBondContact O-N 3.42Å; I414-F417 PolarHBondContact O-N 3.36Å; I414-L418 VanDerWaalsContact O-CB 3.31Å; I414-L418 WeakPolarHBondContact O-CB 3.3Å; I414-L418 PolarHBondContact O-N 3.26Å |
| 415 | V | 91.8 | Very high | 90.3 | Very high | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.9 | -46 | 175.7 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | P410 G411 K412 F417 L418 L419 L453 V457 | P410-V415 HydrophobicContact CB-CG2 4.06Å; G411-V415 PolarHBondContact O-N 3.1Å; K412-V415 PolarHBondContact O-N 2.92Å; K412-V415 VanDerWaalsContact O-N 3.13Å; V415-F417 PolarHBondContact O-N 2.88Å; V415-L418 PolarHBondContact O-N 3.48Å; V415-L419 HydrophobicContact CG1-CD1 4.12Å; V415-L419 VanDerWaalsContact O-CG 3.29Å; V415-L419 WeakPolarHBondContact O-CG 3.49Å; V415-L419 PolarHBondContact O-N 3.04Å; V415-L453 HydrophobicContact CG2-CD2 4.32Å; V415-V457 HydrophobicContact CG1-CG2 3.51Å |
| 416 | D | 91.9 | Very high | 90.3 | Very high | 64 Ų | 64 | 57.6 Ų | 57.6 | 34% | 0.342 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.2 | -48.8 | 175.7 | -67.2 | -24.5 | 0 | 0 | 0 | 110.9 | K412 L418 L419 E420 T456 | K412-D416 VanDerWaalsContact O-CG 3.29Å; K412-D416 PolarHBondContact O-N 3.06Å; D416-L418 PolarHBondContact O-N 3.44Å; D416-L419 PolarHBondContact O-N 3.46Å; D416-E420 PolarHBondContact O-N 3.11Å; D416-T456 VanDerWaalsContact OD1-CG2 3.22Å; D416-T456 WeakPolarHBondContact OD1-CG2 3.46Å |
| 417 | F | 93.9 | Very high | 90.2 | Very high | 27 Ų | 27 | 59.3 Ų | 59.3 | 12% | 0.118 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 177 | -177.3 | -106.6 | 0 | 0 | 0 | 112.4 | V342 I346 Q383 V386 R413 I414 V415 L419 E420 V421 | V342-F417 HydrophobicContact CG1-CE2 4.14Å; V342-F417 HydrophobicContact CG1-CZ 3.6Å; I346-F417 HydrophobicContact CD1-CE2 4.33Å; I346-F417 HydrophobicContact CD1-CZ 4.27Å; Q383-F417 HydrophobicContact CB-CD1 4.43Å; Q383-F417 HydrophobicContact CB-CE1 3.66Å; Q383-F417 HydrophobicContact CB-CZ 3.9Å; Q383-F417 HydrophobicContact CG-CD1 4.12Å; Q383-F417 HydrophobicContact CG-CE1 3.77Å; Q383-F417 HydrophobicContact CG-CZ 3.99Å; V386-F417 HydrophobicContact CB-CD1 4.17Å; V386-F417 HydrophobicContact CB-CE1 4.15Å; V386-F417 HydrophobicContact CG1-CD1 4.04Å; V386-F417 HydrophobicContact CG1-CE1 4.21Å; R413-F417 VanDerWaalsContact O-CB 3.27Å; R413-F417 WeakPolarHBondContact O-CB 3.5Å; R413-F417 PolarHBondContact O-N 2.93Å; I414-F417 PolarHBondContact O-N 3.36Å; V415-F417 PolarHBondContact O-N 2.88Å; F417-L419 VanDerWaalsContact C-N 3.32Å; F417-L419 PolarHBondContact O-N 2.7Å; F417-E420 WeakPolarHBondContact O-CB 3.34Å; F417-E420 PolarHBondContact O-N 3.33Å; F417-V421 HydrophobicContact CD1-CG2 4.03Å; F417-V421 HydrophobicContact CD2-CG2 4.22Å; F417-V421 HydrophobicContact CE1-CG2 3.59Å; F417-V421 HydrophobicContact CE2-CG2 3.81Å; F417-V421 HydrophobicContact CG-CG2 4.33Å; F417-V421 HydrophobicContact CZ-CG2 3.46Å; F417-V421 VanDerWaalsContact CZ-CG2 3.46Å; F417-V421 WeakPolarHBondContact O-CB 3.14Å; F417-V421 VanDerWaalsContact O-CG2 3.23Å; F417-V421 WeakPolarHBondContact O-CG2 3.18Å; F417-V421 PolarHBondContact O-N 3.1Å |
| 418 | L | 94.2 | Very high | 90 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.9 | -41 | 176.1 | 177.2 | 152.2 | 0 | 0 | 0 | 112 | V386 F403 I414 V415 D416 S422 F440 L444 | V386-L418 HydrophobicContact CG1-CB 3.79Å; V386-L418 HydrophobicContact CG1-CD1 4.35Å; V386-L418 HydrophobicContact CG1-CG 4.1Å; F403-L418 HydrophobicContact CE2-CD1 3.7Å; F403-L418 HydrophobicContact CZ-CD1 3.54Å; I414-L418 VanDerWaalsContact O-CB 3.31Å; I414-L418 WeakPolarHBondContact O-CB 3.3Å; I414-L418 PolarHBondContact O-N 3.26Å; V415-L418 PolarHBondContact O-N 3.48Å; D416-L418 PolarHBondContact O-N 3.44Å; L418-S422 VanDerWaalsContact O-CB 3.25Å; L418-S422 WeakPolarHBondContact O-CB 3.49Å; L418-S422 PolarHBondContact O-N 3.36Å; L418-S422 PolarHBondContact O-OG 3.42Å; L418-F440 HydrophobicContact CD1-CE1 4.29Å; L418-F440 HydrophobicContact CD1-CZ 4.01Å; L418-F440 HydrophobicContact CD2-CE1 3.97Å; L418-F440 HydrophobicContact CD2-CZ 4.49Å; L418-F440 HydrophobicContact CG-CE1 4.3Å; L418-F440 HydrophobicContact CG-CZ 4.49Å; L418-L444 HydrophobicContact CD1-CD2 4.38Å; L418-L444 HydrophobicContact CD2-CD2 3.51Å |
| 419 | L | 93.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68 | -41.4 | 177.7 | -66.4 | 167.7 | 0 | 0 | 0 | 111.2 | V415 D416 F417 S422 S423 L441 T456 V457 H460 | V415-L419 HydrophobicContact CG1-CD1 4.12Å; V415-L419 VanDerWaalsContact O-CG 3.29Å; V415-L419 WeakPolarHBondContact O-CG 3.49Å; V415-L419 PolarHBondContact O-N 3.04Å; D416-L419 PolarHBondContact O-N 3.46Å; F417-L419 VanDerWaalsContact C-N 3.32Å; F417-L419 PolarHBondContact O-N 2.7Å; L419-S422 PolarHBondContact O-N 3.45Å; L419-S423 WeakPolarHBondContact O-CB 3.4Å; L419-S423 PolarHBondContact O-N 2.96Å; L419-L441 HydrophobicContact CD2-CD2 3.86Å; L419-T456 HydrophobicContact CD1-CG2 4.43Å; L419-V457 HydrophobicContact CD1-CG2 4.28Å; L419-V457 HydrophobicContact CD2-CG1 4.12Å; L419-V457 HydrophobicContact CD2-CG2 4.49Å; L419-H460 HydrophobicContact CD1-CB 4.03Å; L419-H460 HydrophobicContact CD2-CB 4.3Å |
| 420 | E | 93.6 | Very high | 89.7 | Confident | 86 Ų | 86 | 60.6 Ų | 60.6 | 40% | 0.402 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.1 | -53.7 | 173.5 | -170.8 | -160 | 151.3 | 0 | 0 | 111.1 | D416 F417 S422 S423 R424 | D416-E420 PolarHBondContact O-N 3.11Å; F417-E420 WeakPolarHBondContact O-CB 3.34Å; F417-E420 PolarHBondContact O-N 3.33Å; E420-S422 VanDerWaalsContact C-N 3.32Å; E420-S422 PolarHBondContact O-N 3.48Å; E420-S423 PolarHBondContact O-N 3.19Å; E420-S423 VanDerWaalsContact O-N 3.16Å; E420-R424 WeakPolarHBondContact O-CG 3.25Å; E420-R424 PolarHBondContact O-N 3.38Å; E420-R424 IonicContact OE1-NH1 2.78Å; E420-R424 PolarHBondContact OE1-NH1 3.01Å |
| 421 | V | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 179.9 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | I346 V390 F417 S423 R424 S425 | I346-V421 HydrophobicContact CD1-CG2 3.85Å; I346-V421 HydrophobicContact CG1-CG1 4.28Å; I346-V421 HydrophobicContact CG1-CG2 3.97Å; V390-V421 HydrophobicContact CB-CG1 4.02Å; V390-V421 HydrophobicContact CG1-CG1 4.12Å; V390-V421 HydrophobicContact CG2-CB 4.46Å; V390-V421 HydrophobicContact CG2-CG1 3.94Å; F417-V421 HydrophobicContact CD1-CG2 4.03Å; F417-V421 HydrophobicContact CD2-CG2 4.22Å; F417-V421 HydrophobicContact CE1-CG2 3.59Å; F417-V421 HydrophobicContact CE2-CG2 3.81Å; F417-V421 HydrophobicContact CG-CG2 4.33Å; F417-V421 HydrophobicContact CZ-CG2 3.46Å; F417-V421 VanDerWaalsContact CZ-CG2 3.46Å; F417-V421 WeakPolarHBondContact O-CB 3.14Å; F417-V421 VanDerWaalsContact O-CG2 3.23Å; F417-V421 WeakPolarHBondContact O-CG2 3.18Å; F417-V421 PolarHBondContact O-N 3.1Å; V421-S423 VanDerWaalsContact C-N 3.31Å; V421-S423 PolarHBondContact O-N 3.04Å; V421-R424 PolarHBondContact O-N 3.28Å; V421-S425 WeakPolarHBondContact O-CB 3.34Å; V421-S425 PolarHBondContact O-N 3.32Å; V421-S425 PolarHBondContact O-OG 3.06Å |
| 422 | S | 93.3 | Very high | 89.7 | Confident | 8 Ų | 8 | 65 Ų | 65 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 177.1 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | L418 L419 E420 L426 | L418-S422 VanDerWaalsContact O-CB 3.25Å; L418-S422 WeakPolarHBondContact O-CB 3.49Å; L418-S422 PolarHBondContact O-N 3.36Å; L418-S422 PolarHBondContact O-OG 3.42Å; L419-S422 PolarHBondContact O-N 3.45Å; E420-S422 VanDerWaalsContact C-N 3.32Å; E420-S422 PolarHBondContact O-N 3.48Å; S422-L426 WeakPolarHBondContact O-CB 3.32Å; S422-L426 PolarHBondContact O-N 3.28Å |
| 423 | S | 91.9 | Very high | 89.6 | Confident | 52 Ų | 52 | 59 Ų | 59 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.7 | -40.1 | 179.3 | -168.1 | 0 | 0 | 0 | 0 | 112.3 | L419 E420 V421 | L419-S423 WeakPolarHBondContact O-CB 3.4Å; L419-S423 PolarHBondContact O-N 2.96Å; E420-S423 PolarHBondContact O-N 3.19Å; E420-S423 VanDerWaalsContact O-N 3.16Å; V421-S423 VanDerWaalsContact C-N 3.31Å; V421-S423 PolarHBondContact O-N 3.04Å |
| 424 | R | 92.1 | Very high | 89.5 | Confident | 105 Ų | 105 | 53.4 Ų | 53.4 | 40% | 0.396 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -76.4 | -24.2 | -179.4 | -66.3 | 179 | 66 | -162.3 | -7 | 113.1 | E343 I346 E420 V421 | E343-R424 IonicContact OE1-CZ 3.86Å; E343-R424 IonicContact OE1-NH2 3.45Å; E343-R424 PolarHBondContact OE1-NH2 2.99Å; E343-R424 IonicContact OE2-CZ 2.96Å; E343-R424 VanDerWaalsContact OE2-CZ 3.25Å; E343-R424 IonicContact OE2-NH1 3.21Å; E343-R424 PolarHBondContact OE2-NH1 3.17Å; E343-R424 IonicContact OE2-NH2 4Å; E343-R424 PolarHBondContact OE2-NH2 3.48Å; I346-R424 HydrophobicContact CG2-CB 3.8Å; E420-R424 WeakPolarHBondContact O-CG 3.25Å; E420-R424 PolarHBondContact O-N 3.38Å; E420-R424 IonicContact OE1-NH1 2.78Å; E420-R424 PolarHBondContact OE1-NH1 3.01Å; V421-R424 PolarHBondContact O-N 3.28Å |
| 425 | S | 89.9 | Confident | 89.4 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.014 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -90.9 | -15.2 | -177 | -58.1 | 0 | 0 | 0 | 0 | 113.9 | N349 V421 D427 | N349-S425 VanDerWaalsContact CB-CB 3.49Å; N349-S425 WeakPolarHBondContact CB-OG 3.45Å; N349-S425 PolarHBondContact ND2-OG 2.93Å; V421-S425 WeakPolarHBondContact O-CB 3.34Å; V421-S425 PolarHBondContact O-N 3.32Å; V421-S425 PolarHBondContact O-OG 3.06Å; S425-D427 PolarHBondContact O-N 2.98Å |
| 426 | L | 88.4 | Confident | 89.4 | Confident | 18 Ų | 18 | 62.9 Ų | 62.9 | 9% | 0.094 | 30% | 0.297 | C | S | . | . | trans | -75.9 | 116.2 | -173.4 | 179.7 | 67.6 | 0 | 0 | 0 | 111.4 | L394 S422 R428 A433 R434 A437 L462 L466 | L394-L426 HydrophobicContact CD2-CD1 4.03Å; S422-L426 WeakPolarHBondContact O-CB 3.32Å; S422-L426 PolarHBondContact O-N 3.28Å; L426-R428 PolarHBondContact O-N 3.1Å; L426-A433 HydrophobicContact CD1-CB 4.35Å; L426-R434 HydrophobicContact CD1-CG 4.21Å; L426-A437 HydrophobicContact CD1-CB 4.01Å; L426-L462 HydrophobicContact CD2-CD1 3.78Å; L426-L466 HydrophobicContact CD2-CD1 4.17Å; L426-L466 HydrophobicContact CD2-CD2 3.9Å; L426-L466 HydrophobicContact CD2-CG 4.45Å | ||
| 427 | D | 85.1 | Confident | 89.4 | Confident | 61 Ų | 61 | 60.2 Ų | 60.2 | 33% | 0.326 | 28% | 0.284 | S | S | . | . | trans | -77.7 | 109 | 164.2 | -179.9 | 0.5 | 0 | 0 | 0 | 109.8 | S425 D429 R430 | S425-D427 PolarHBondContact O-N 2.98Å; D427-D429 VanDerWaalsContact C-N 3.27Å; D427-D429 PolarHBondContact O-N 3.41Å; D427-D429 PolarHBondContact OD1-N 3.01Å; D427-R430 HydrophobicContact CB-CB 4.39Å; D427-R430 PolarHBondContact O-N 3.01Å | ||
| 428 | R | 83.2 | Confident | 89.2 | Confident | 143 Ų | 143 | 59.9 Ų | 59.9 | 54% | 0.54 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -21.4 | -176.2 | -69.1 | -177 | 168 | -168.5 | -9 | 113.1 | L426 R430 R434 E465 | L426-R428 PolarHBondContact O-N 3.1Å; R428-R430 VanDerWaalsContact C-N 3.31Å; R428-R434 WeakPolarHBondContact O-CD 3.27Å; R428-E465 IonicContact CZ-OE1 3.66Å; R428-E465 IonicContact CZ-OE2 2.71Å; R428-E465 IonicContact NE-OE1 3.44Å; R428-E465 PolarHBondContact NE-OE1 3.14Å; R428-E465 IonicContact NE-OE2 3.92Å; R428-E465 IonicContact NH2-OE1 2.63Å; R428-E465 IonicContact NH2-OE2 3.66Å; R428-E465 PolarHBondContact NH2-OE2 3.23Å |
| 429 | D | 81.5 | Confident | 89 | Confident | 151 Ų | 151 | 62.2 Ų | 62.2 | 81% | 0.807 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -19 | -177.7 | -62.4 | -29.2 | 0 | 0 | 0 | 111.3 | D427 P431 | D427-D429 VanDerWaalsContact C-N 3.27Å; D427-D429 PolarHBondContact O-N 3.41Å; D427-D429 PolarHBondContact OD1-N 3.01Å; D429-P431 WeakPolarHBondContact O-CD 3.49Å |
| 430 | R | 84 | Confident | 88.9 | Confident | 107 Ų | 107 | 63.1 Ų | 63.1 | 40% | 0.404 | 31% | 0.31 | S | S | . | . | trans | -94.8 | 109.5 | -178.8 | -168.8 | 172.9 | 178.2 | 156.2 | -2 | 112.5 | D427 R428 S432 A433 R434 | D427-R430 HydrophobicContact CB-CB 4.39Å; D427-R430 PolarHBondContact O-N 3.01Å; R428-R430 VanDerWaalsContact C-N 3.31Å; R430-S432 VanDerWaalsContact C-N 3.32Å; R430-S432 WeakPolarHBondContact CG-OG 3.47Å; R430-S432 PolarHBondContact NE-OG 2.92Å; R430-S432 PolarHBondContact O-N 3.28Å; R430-A433 HydrophobicContact CB-CB 4.07Å; R430-A433 HydrophobicContact CG-CB 4.16Å; R430-A433 PolarHBondContact O-N 3.16Å; R430-R434 PolarHBondContact O-N 2.83Å | ||
| 431 | P | 85.4 | Confident | 88.8 | Confident | 103 Ų | 103 | 59 Ų | 59 | 67% | 0.669 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.3 | -31.8 | -176.3 | 25.4 | -34.1 | 0 | 0 | 0 | 113.3 | D429 R434 R435 | D429-P431 WeakPolarHBondContact O-CD 3.49Å; P431-R434 PolarHBondContact O-N 3.09Å; P431-R435 PolarHBondContact O-N 3.05Å |
| 432 | S | 87.4 | Confident | 88.5 | Confident | 47 Ų | 47 | 62.9 Ų | 62.9 | 33% | 0.329 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.9 | -40.8 | 176.9 | 69.5 | 0 | 0 | 0 | 0 | 111.9 | R430 R435 N436 | R430-S432 VanDerWaalsContact C-N 3.32Å; R430-S432 WeakPolarHBondContact CG-OG 3.47Å; R430-S432 PolarHBondContact NE-OG 2.92Å; R430-S432 PolarHBondContact O-N 3.28Å; S432-R435 PolarHBondContact O-N 3.44Å; S432-N436 WeakPolarHBondContact O-CB 3.36Å; S432-N436 PolarHBondContact O-N 3.42Å; S432-N436 PolarHBondContact O-ND2 3.14Å; S432-N436 PolarHBondContact O-OD1 3.34Å |
| 433 | A | 86 | Confident | 88.3 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L394 L426 R430 N436 A437 | L394-A433 HydrophobicContact CD2-CB 4.43Å; L426-A433 HydrophobicContact CD1-CB 4.35Å; R430-A433 HydrophobicContact CB-CB 4.07Å; R430-A433 HydrophobicContact CG-CB 4.16Å; R430-A433 PolarHBondContact O-N 3.16Å; A433-N436 PolarHBondContact O-N 3.49Å; A433-A437 VanDerWaalsContact O-CB 3.3Å; A433-A437 WeakPolarHBondContact O-CB 3.5Å; A433-A437 PolarHBondContact O-N 3.12Å |
| 434 | R | 88.4 | Confident | 88.1 | Confident | 104 Ų | 104 | 63.5 Ų | 63.5 | 39% | 0.392 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 173.8 | -69.7 | 179.9 | 64.4 | 171.9 | 2.7 | 112.6 | L426 R428 R430 P431 A437 A438 L466 | L426-R434 HydrophobicContact CD1-CG 4.21Å; R428-R434 WeakPolarHBondContact O-CD 3.27Å; R430-R434 PolarHBondContact O-N 2.83Å; P431-R434 PolarHBondContact O-N 3.09Å; R434-A437 PolarHBondContact O-N 3.28Å; R434-A438 WeakPolarHBondContact O-CB 3.34Å; R434-A438 PolarHBondContact O-N 3.43Å; R434-L466 HydrophobicContact CB-CD2 4.19Å; R434-L466 HydrophobicContact CG-CD2 4.29Å |
| 435 | R | 89.1 | Confident | 87.8 | Confident | 195 Ų | 195 | 58.7 Ų | 58.7 | 74% | 0.736 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.7 | -45.6 | 176.7 | -176.9 | -177.9 | -71.5 | 162.8 | -2.6 | 111.3 | P431 S432 A438 A439 | P431-R435 PolarHBondContact O-N 3.05Å; S432-R435 PolarHBondContact O-N 3.44Å; R435-A438 PolarHBondContact O-N 3.22Å; R435-A439 PolarHBondContact O-N 3.13Å |
| 436 | N | 91.6 | Very high | 87.5 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 25% | 0.246 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.8 | -42.1 | -179.8 | -68.3 | -5.9 | 0 | 0 | 0 | 112 | A393 L394 G396 S432 A433 A439 F440 | A393-N436 VanDerWaalsContact O-CB 3.32Å; A393-N436 WeakPolarHBondContact O-CB 3.48Å; L394-N436 PolarHBondContact O-ND2 2.81Å; L394-N436 VanDerWaalsContact O-ND2 3.17Å; G396-N436 PolarHBondContact N-ND2 2.73Å; S432-N436 WeakPolarHBondContact O-CB 3.36Å; S432-N436 PolarHBondContact O-N 3.42Å; S432-N436 PolarHBondContact O-ND2 3.14Å; S432-N436 PolarHBondContact O-OD1 3.34Å; A433-N436 PolarHBondContact O-N 3.49Å; N436-A439 PolarHBondContact O-N 3.49Å; N436-F440 WeakPolarHBondContact O-CB 3.34Å; N436-F440 PolarHBondContact O-N 2.87Å |
| 437 | A | 90.6 | Very high | 87.2 | Confident | 8 Ų | 8 | 66.6 Ų | 66.6 | 7% | 0.066 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L394 L426 A433 R434 F440 L441 L466 | L394-A437 HydrophobicContact CD2-CB 3.89Å; L426-A437 HydrophobicContact CD1-CB 4.01Å; A433-A437 VanDerWaalsContact O-CB 3.3Å; A433-A437 WeakPolarHBondContact O-CB 3.5Å; A433-A437 PolarHBondContact O-N 3.12Å; R434-A437 PolarHBondContact O-N 3.28Å; A437-F440 PolarHBondContact O-N 3.34Å; A437-L441 WeakPolarHBondContact O-CG 3.46Å; A437-L441 PolarHBondContact O-N 3.13Å; A437-L466 HydrophobicContact CB-CD1 3.72Å |
| 438 | A | 89.8 | Confident | 87.2 | Confident | 19 Ų | 19 | 64.2 Ų | 64.2 | 16% | 0.157 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R434 R435 R442 L466 L467 | R434-A438 WeakPolarHBondContact O-CB 3.34Å; R434-A438 PolarHBondContact O-N 3.43Å; R435-A438 PolarHBondContact O-N 3.22Å; A438-R442 WeakPolarHBondContact O-CB 3.41Å; A438-R442 PolarHBondContact O-N 2.95Å; A438-L466 HydrophobicContact CB-CB 4.06Å; A438-L467 HydrophobicContact CB-CD1 4.27Å |
| 439 | A | 90.3 | Very high | 87.1 | Confident | 51 Ų | 51 | 66.4 Ų | 66.4 | 42% | 0.421 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63 | -43 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | R435 N436 R442 T443 | R435-A439 PolarHBondContact O-N 3.13Å; N436-A439 PolarHBondContact O-N 3.49Å; A439-R442 PolarHBondContact O-N 3.38Å; A439-T443 PolarHBondContact O-N 3.42Å; A439-T443 PolarHBondContact O-OG1 3.33Å |
| 440 | F | 92.1 | Very high | 87.2 | Confident | 19 Ų | 19 | 63.1 Ų | 63.1 | 8% | 0.083 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.2 | -48 | 177.8 | 176.9 | -113.5 | 0 | 0 | 0 | 112.4 | V390 A393 L399 F403 L418 N436 A437 R442 T443 L444 | V390-F440 HydrophobicContact CG2-CE1 4.35Å; A393-F440 HydrophobicContact CB-CB 4.14Å; A393-F440 HydrophobicContact CB-CD1 4.35Å; A393-F440 HydrophobicContact CB-CD2 3.78Å; A393-F440 HydrophobicContact CB-CE2 4.23Å; A393-F440 HydrophobicContact CB-CG 3.83Å; L399-F440 HydrophobicContact CD1-CD2 4.06Å; L399-F440 HydrophobicContact CD1-CE2 3.76Å; L399-F440 HydrophobicContact CD2-CE2 4.19Å; F403-F440 AromaticContact CE1-CE2 3.88Å; F403-F440 HydrophobicContact CE1-CE2 3.88Å; F403-F440 HydrophobicContact CE1-CZ 4.08Å; F403-F440 HydrophobicContact CZ-CE2 4.12Å; F403-F440 AromaticContact CZ-CZ 3.83Å; F403-F440 HydrophobicContact CZ-CZ 3.83Å; L418-F440 HydrophobicContact CD1-CE1 4.29Å; L418-F440 HydrophobicContact CD1-CZ 4.01Å; L418-F440 HydrophobicContact CD2-CE1 3.97Å; L418-F440 HydrophobicContact CD2-CZ 4.49Å; L418-F440 HydrophobicContact CG-CE1 4.3Å; L418-F440 HydrophobicContact CG-CZ 4.49Å; N436-F440 WeakPolarHBondContact O-CB 3.34Å; N436-F440 PolarHBondContact O-N 2.87Å; A437-F440 PolarHBondContact O-N 3.34Å; F440-R442 VanDerWaalsContact C-N 3.35Å; F440-R442 PolarHBondContact O-N 2.99Å; F440-T443 PolarHBondContact O-N 3.39Å; F440-L444 WeakPolarHBondContact O-CB 3.42Å; F440-L444 PolarHBondContact O-N 3.14Å |
| 441 | L | 90.7 | Very high | 87 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.1 | -36.5 | 178.1 | -68.2 | 178 | 0 | 0 | 0 | 112.4 | L419 A437 L444 C445 L462 F463 L466 L467 | L419-L441 HydrophobicContact CD2-CD2 3.86Å; A437-L441 WeakPolarHBondContact O-CG 3.46Å; A437-L441 PolarHBondContact O-N 3.13Å; L441-L444 PolarHBondContact O-N 3.08Å; L441-C445 PolarHBondContact O-N 3.24Å; L441-C445 VanDerWaalsContact O-N 3.08Å; L441-L462 HydrophobicContact CD1-CD2 4.04Å; L441-L462 HydrophobicContact CD1-CG 4.09Å; L441-F463 HydrophobicContact CB-CD2 4.03Å; L441-F463 HydrophobicContact CB-CE2 4.43Å; L441-F463 HydrophobicContact CD1-CD2 4.44Å; L441-L466 HydrophobicContact CD1-CD1 4.1Å; L441-L467 HydrophobicContact CB-CD1 4.41Å |
| 442 | R | 88.6 | Confident | 87 | Confident | 80 Ų | 80 | 62.9 Ų | 62.9 | 30% | 0.302 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.4 | -53.1 | 173.5 | -177.4 | -179.7 | -179.2 | 142 | 3.2 | 111 | A438 A439 F440 L444 C445 E446 L467 D471 | A438-R442 WeakPolarHBondContact O-CB 3.41Å; A438-R442 PolarHBondContact O-N 2.95Å; A439-R442 PolarHBondContact O-N 3.38Å; F440-R442 VanDerWaalsContact C-N 3.35Å; F440-R442 PolarHBondContact O-N 2.99Å; R442-L444 VanDerWaalsContact C-N 3.26Å; R442-L444 PolarHBondContact O-N 2.89Å; R442-C445 PolarHBondContact O-N 3.03Å; R442-C445 VanDerWaalsContact O-N 3.14Å; R442-E446 IonicContact NE-OE1 3.09Å; R442-E446 PolarHBondContact NE-OE1 3.09Å; R442-E446 WeakPolarHBondContact O-CG 3.37Å; R442-E446 PolarHBondContact O-N 3.19Å; R442-L467 HydrophobicContact CB-CD2 4.26Å; R442-D471 IonicContact CZ-OD1 2.82Å; R442-D471 IonicContact NH1-OD1 3.87Å; R442-D471 PolarHBondContact NH1-OD1 3.35Å |
| 443 | T | 87.9 | Confident | 87 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.1 | -35.5 | 178.4 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | A439 F440 E446 N447 | A439-T443 PolarHBondContact O-N 3.42Å; A439-T443 PolarHBondContact O-OG1 3.33Å; F440-T443 PolarHBondContact O-N 3.39Å; T443-E446 PolarHBondContact O-N 3.08Å; T443-N447 WeakPolarHBondContact CG2-ND2 3.49Å; T443-N447 PolarHBondContact O-N 2.91Å; T443-N447 PolarHBondContact O-ND2 3.42Å |
| 444 | L | 87.9 | Confident | 87 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.6 | -49.1 | 173.9 | 180 | 66.8 | 0 | 0 | 0 | 111.2 | L407 L418 F440 L441 R442 E446 N447 L448 V457 | L407-L444 HydrophobicContact CD1-CD1 3.89Å; L407-L444 HydrophobicContact CD2-CD1 3.68Å; L407-L444 HydrophobicContact CG-CD1 4.46Å; L418-L444 HydrophobicContact CD1-CD2 4.38Å; L418-L444 HydrophobicContact CD2-CD2 3.51Å; F440-L444 WeakPolarHBondContact O-CB 3.42Å; F440-L444 PolarHBondContact O-N 3.14Å; L441-L444 PolarHBondContact O-N 3.08Å; R442-L444 VanDerWaalsContact C-N 3.26Å; R442-L444 PolarHBondContact O-N 2.89Å; L444-E446 VanDerWaalsContact C-N 3.33Å; L444-E446 PolarHBondContact O-N 3Å; L444-N447 PolarHBondContact O-N 3.45Å; L444-L448 HydrophobicContact CD1-CD1 4.49Å; L444-L448 HydrophobicContact CG-CD1 4.21Å; L444-L448 WeakPolarHBondContact O-CG 3.42Å; L444-L448 PolarHBondContact O-N 3.15Å; L444-V457 HydrophobicContact CD2-CG1 4.46Å; L444-V457 HydrophobicContact CD2-CG2 4.1Å |
| 445 | C | 85.9 | Confident | 86.9 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 3% | 0.027 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.6 | -37.5 | 177.6 | -73.6 | 0 | 0 | 0 | 0 | 113.3 | L441 R442 N447 L448 V457 L475 | L441-C445 PolarHBondContact O-N 3.24Å; L441-C445 VanDerWaalsContact O-N 3.08Å; R442-C445 PolarHBondContact O-N 3.03Å; R442-C445 VanDerWaalsContact O-N 3.14Å; C445-N447 VanDerWaalsContact C-N 3.27Å; C445-N447 PolarHBondContact O-N 3.47Å; C445-L448 PolarHBondContact O-N 3.32Å; C445-V457 WeakPolarHBondContact SG-CG1 3.42Å; C445-L475 HydrophobicContact CB-CD1 4.29Å; C445-L475 HydrophobicContact CB-CD2 3.66Å; C445-L475 HydrophobicContact CB-CG 4.38Å |
| 446 | E | 83.6 | Confident | 86.8 | Confident | 80 Ų | 80 | 53.2 Ų | 53.2 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.3 | -33.4 | 179.3 | -71.9 | 172.8 | -177.7 | 0 | 0 | 112.1 | R442 T443 L444 L475 | R442-E446 IonicContact NE-OE1 3.09Å; R442-E446 PolarHBondContact NE-OE1 3.09Å; R442-E446 WeakPolarHBondContact O-CG 3.37Å; R442-E446 PolarHBondContact O-N 3.19Å; T443-E446 PolarHBondContact O-N 3.08Å; L444-E446 VanDerWaalsContact C-N 3.33Å; L444-E446 PolarHBondContact O-N 3Å; E446-L475 HydrophobicContact CG-CD1 3.76Å |
| 447 | N | 83.1 | Confident | 86.6 | Confident | 107 Ų | 107 | 51 Ų | 51 | 57% | 0.572 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -87 | -14.3 | -178.1 | -70.9 | -42 | 0 | 0 | 0 | 114.7 | T443 L444 C445 | T443-N447 WeakPolarHBondContact CG2-ND2 3.49Å; T443-N447 PolarHBondContact O-N 2.91Å; T443-N447 PolarHBondContact O-ND2 3.42Å; L444-N447 PolarHBondContact O-N 3.45Å; C445-N447 VanDerWaalsContact C-N 3.27Å; C445-N447 PolarHBondContact O-N 3.47Å |
| 448 | L | 85.1 | Confident | 86.4 | Confident | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.052 | 27% | 0.265 | C | S | . | . | trans | -81.6 | 120.8 | 179.1 | -71.8 | 171.2 | 0 | 0 | 0 | 111 | P410 L444 C445 L453 V454 V457 | P410-L448 HydrophobicContact CB-CD2 4.44Å; P410-L448 HydrophobicContact CG-CD2 3.34Å; L444-L448 HydrophobicContact CD1-CD1 4.49Å; L444-L448 HydrophobicContact CG-CD1 4.21Å; L444-L448 WeakPolarHBondContact O-CG 3.42Å; L444-L448 PolarHBondContact O-N 3.15Å; C445-L448 PolarHBondContact O-N 3.32Å; L448-L453 HydrophobicContact CD1-CB 4.16Å; L448-L453 HydrophobicContact CD2-CB 4.4Å; L448-L453 HydrophobicContact CD2-CD1 4.26Å; L448-V454 HydrophobicContact CB-CG2 3.68Å; L448-V457 HydrophobicContact CD1-CG2 3.93Å | ||
| 449 | E | 80.4 | Confident | 86.2 | Confident | 190 Ų | 190 | 54 Ų | 54 | 89% | 0.888 | 28% | 0.284 | S | S | * | . | trans | -79.2 | -36.2 | 175.6 | -64.2 | -175.4 | 172.1 | 0 | 0 | 112.6 | R451 | E449-R451 PolarHBondContact O-N 3.49Š| ||
| 450 | D | 82.8 | Confident | 86.2 | Confident | 82 Ų | 82 | 53.6 Ų | 53.6 | 44% | 0.439 | 27% | 0.274 | S | S | . | . | trans | -76 | 118.4 | -177.9 | -174.7 | -5.8 | 0 | 0 | 0 | 111.7 | V452 L453 V454 | D450-V452 VanDerWaalsContact C-N 3.25Å; D450-V452 PolarHBondContact O-N 2.83Å; D450-V452 WeakPolarHBondContact OD1-CB 3.2Å; D450-V452 PolarHBondContact OD1-N 2.7Å; D450-L453 HydrophobicContact CB-CB 4.34Å; D450-L453 HydrophobicContact CB-CD1 4.02Å; D450-L453 HydrophobicContact CB-CG 4.02Å; D450-L453 PolarHBondContact O-N 2.85Å; D450-L453 VanDerWaalsContact O-N 3.13Å; D450-V454 WeakPolarHBondContact O-CG2 3.39Å; D450-V454 PolarHBondContact O-N 3.2Å | ||
| 451 | R | 81.2 | Confident | 86.1 | Confident | 115 Ų | 115 | 57.1 Ų | 57.1 | 43% | 0.434 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.4 | -36.8 | 177.1 | -67.9 | 176.9 | 170.6 | -133.5 | -31.4 | 113 | E449 L453 V454 L455 T479 K482 | E449-R451 PolarHBondContact O-N 3.49Å; R451-L453 VanDerWaalsContact C-N 3.3Å; R451-L453 PolarHBondContact O-N 2.97Å; R451-V454 PolarHBondContact O-N 3.47Å; R451-L455 WeakPolarHBondContact O-CB 3.19Å; R451-L455 VanDerWaalsContact O-CG 3.29Å; R451-L455 WeakPolarHBondContact O-CG 3.33Å; R451-L455 PolarHBondContact O-N 3.01Å; R451-T479 PolarHBondContact NH2-O 3.35Å; R451-K482 PolarHBondContact NH2-O 3.48Å |
| 452 | V | 85.4 | Confident | 85.9 | Confident | 90 Ų | 90 | 57.2 Ų | 57.2 | 55% | 0.545 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.9 | -38.4 | -179.2 | -179 | 0 | 0 | 0 | 0 | 110.4 | D450 T456 | D450-V452 VanDerWaalsContact C-N 3.25Å; D450-V452 PolarHBondContact O-N 2.83Å; D450-V452 WeakPolarHBondContact OD1-CB 3.2Å; D450-V452 PolarHBondContact OD1-N 2.7Å; V452-T456 PolarHBondContact O-N 3.35Å; V452-T456 PolarHBondContact O-OG1 2.77Å |
| 453 | L | 86.9 | Confident | 85.8 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.9 | -40.4 | 176.3 | -60.6 | -179.3 | 0 | 0 | 0 | 111.5 | P410 K412 V415 L448 D450 R451 L455 T456 V457 | P410-L453 HydrophobicContact CG-CD1 3.96Å; P410-L453 WeakPolarHBondContact O-CD1 3.24Å; K412-L453 HydrophobicContact CB-CD2 4.06Å; K412-L453 HydrophobicContact CG-CD2 4.39Å; V415-L453 HydrophobicContact CG2-CD2 4.32Å; L448-L453 HydrophobicContact CD1-CB 4.16Å; L448-L453 HydrophobicContact CD2-CB 4.4Å; L448-L453 HydrophobicContact CD2-CD1 4.26Å; D450-L453 HydrophobicContact CB-CB 4.34Å; D450-L453 HydrophobicContact CB-CD1 4.02Å; D450-L453 HydrophobicContact CB-CG 4.02Å; D450-L453 PolarHBondContact O-N 2.85Å; D450-L453 VanDerWaalsContact O-N 3.13Å; R451-L453 VanDerWaalsContact C-N 3.3Å; R451-L453 PolarHBondContact O-N 2.97Å; L453-L455 VanDerWaalsContact C-N 3.31Å; L453-L455 PolarHBondContact O-N 2.82Å; L453-T456 WeakPolarHBondContact O-CB 3.3Å; L453-T456 PolarHBondContact O-N 3.24Å; L453-T456 VanDerWaalsContact O-N 3.13Å; L453-V457 PolarHBondContact O-N 2.94Å |
| 454 | V | 86.1 | Confident | 85.7 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 174.6 | 178 | 0 | 0 | 0 | 0 | 111.1 | L448 D450 R451 T456 V457 T458 T479 | L448-V454 HydrophobicContact CB-CG2 3.68Å; D450-V454 WeakPolarHBondContact O-CG2 3.39Å; D450-V454 PolarHBondContact O-N 3.2Å; R451-V454 PolarHBondContact O-N 3.47Å; V454-T456 VanDerWaalsContact C-N 3.33Å; V454-T456 PolarHBondContact O-N 2.81Å; V454-V457 PolarHBondContact O-N 3.48Å; V454-T458 HydrophobicContact CG1-CG2 4.17Å; V454-T458 WeakPolarHBondContact O-CB 3.39Å; V454-T458 VanDerWaalsContact O-CG2 3.31Å; V454-T458 WeakPolarHBondContact O-CG2 3.06Å; V454-T458 PolarHBondContact O-N 3.49Å; V454-T458 PolarHBondContact O-OG1 3.48Å; V454-T479 HydrophobicContact CB-CG2 4.37Å; V454-T479 HydrophobicContact CG1-CG2 3.88Å |
| 455 | L | 84.9 | Confident | 85.7 | Confident | 104 Ų | 104 | 57.4 Ų | 57.4 | 55% | 0.545 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 174.6 | -73.6 | 167.4 | 0 | 0 | 0 | 111.9 | R451 L453 V457 T458 S459 | R451-L455 WeakPolarHBondContact O-CB 3.19Å; R451-L455 VanDerWaalsContact O-CG 3.29Å; R451-L455 WeakPolarHBondContact O-CG 3.33Å; R451-L455 PolarHBondContact O-N 3.01Å; L453-L455 VanDerWaalsContact C-N 3.31Å; L453-L455 PolarHBondContact O-N 2.82Å; L455-V457 PolarHBondContact O-N 3.32Å; L455-T458 WeakPolarHBondContact CA-OG1 3.35Å; L455-T458 PolarHBondContact O-N 3Å; L455-T458 PolarHBondContact O-OG1 2.95Å; L455-S459 VanDerWaalsContact O-CB 3.25Å; L455-S459 WeakPolarHBondContact O-CB 3.35Å; L455-S459 PolarHBondContact O-N 3.33Å; L455-S459 PolarHBondContact O-OG 2.99Å |
| 456 | T | 87.6 | Confident | 85.7 | Confident | 24 Ų | 24 | 58.3 Ų | 58.3 | 15% | 0.147 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59 | -46.6 | 174.5 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | D416 L419 V452 L453 V454 S459 H460 | D416-T456 VanDerWaalsContact OD1-CG2 3.22Å; D416-T456 WeakPolarHBondContact OD1-CG2 3.46Å; L419-T456 HydrophobicContact CD1-CG2 4.43Å; V452-T456 PolarHBondContact O-N 3.35Å; V452-T456 PolarHBondContact O-OG1 2.77Å; L453-T456 WeakPolarHBondContact O-CB 3.3Å; L453-T456 PolarHBondContact O-N 3.24Å; L453-T456 VanDerWaalsContact O-N 3.13Å; V454-T456 VanDerWaalsContact C-N 3.33Å; V454-T456 PolarHBondContact O-N 2.81Å; T456-S459 PolarHBondContact O-OG 3.44Å; T456-H460 PolarHBondContact O-N 2.88Å |
| 457 | V | 87.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.6 | -45.8 | 179.3 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | V415 L419 L444 C445 L448 L453 V454 L455 S459 H460 F463 | V415-V457 HydrophobicContact CG1-CG2 3.51Å; L419-V457 HydrophobicContact CD1-CG2 4.28Å; L419-V457 HydrophobicContact CD2-CG1 4.12Å; L419-V457 HydrophobicContact CD2-CG2 4.49Å; L444-V457 HydrophobicContact CD2-CG1 4.46Å; L444-V457 HydrophobicContact CD2-CG2 4.1Å; C445-V457 WeakPolarHBondContact SG-CG1 3.42Å; L448-V457 HydrophobicContact CD1-CG2 3.93Å; L453-V457 PolarHBondContact O-N 2.94Å; V454-V457 PolarHBondContact O-N 3.48Å; L455-V457 PolarHBondContact O-N 3.32Å; V457-S459 VanDerWaalsContact C-N 3.35Å; V457-S459 PolarHBondContact O-N 3.24Å; V457-H460 VanDerWaalsContact O-CB 3.27Å; V457-H460 WeakPolarHBondContact O-CB 3.12Å; V457-H460 PolarHBondContact O-N 2.9Å; V457-F463 HydrophobicContact CG1-CD2 3.96Å; V457-F463 HydrophobicContact CG1-CE2 4.41Å; V457-F463 VanDerWaalsContact O-CB 3.29Å; V457-F463 WeakPolarHBondContact O-CB 3.27Å |
| 458 | T | 86.3 | Confident | 85.8 | Confident | 7 Ų | 7 | 59.2 Ų | 59.2 | 4% | 0.043 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -73.1 | -25.9 | -174.5 | 51.4 | 0 | 0 | 0 | 0 | 114 | V454 L455 H460 F463 M476 | V454-T458 HydrophobicContact CG1-CG2 4.17Å; V454-T458 WeakPolarHBondContact O-CB 3.39Å; V454-T458 VanDerWaalsContact O-CG2 3.31Å; V454-T458 WeakPolarHBondContact O-CG2 3.06Å; V454-T458 PolarHBondContact O-N 3.49Å; V454-T458 PolarHBondContact O-OG1 3.48Å; L455-T458 WeakPolarHBondContact CA-OG1 3.35Å; L455-T458 PolarHBondContact O-N 3Å; L455-T458 PolarHBondContact O-OG1 2.95Å; T458-H460 VanDerWaalsContact C-N 3.3Å; T458-F463 HydrophobicContact CG2-CD1 4.44Å; T458-F463 HydrophobicContact CG2-CE1 3.9Å; T458-F463 HydrophobicContact CG2-CE2 4.44Å; T458-F463 HydrophobicContact CG2-CZ 3.91Å; T458-M476 HydrophobicContact CG2-CE 3.6Å; T458-M476 HydrophobicContact CG2-SD 4.37Å; T458-M476 VanDerWaalsContact OG1-CE 3.27Å; T458-M476 WeakPolarHBondContact OG1-CE 3.41Å |
| 459 | S | 86.7 | Confident | 85.5 | Confident | 82 Ų | 82 | 63.2 Ų | 63.2 | 57% | 0.573 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -11 | 173 | 58.8 | 0 | 0 | 0 | 0 | 113.4 | L455 T456 V457 | L455-S459 VanDerWaalsContact O-CB 3.25Å; L455-S459 WeakPolarHBondContact O-CB 3.35Å; L455-S459 PolarHBondContact O-N 3.33Å; L455-S459 PolarHBondContact O-OG 2.99Å; T456-S459 PolarHBondContact O-OG 3.44Å; V457-S459 VanDerWaalsContact C-N 3.35Å; V457-S459 PolarHBondContact O-N 3.24Å |
| 460 | H | 90.1 | Very high | 85.5 | Confident | 43 Ų | 43 | 59.5 Ų | 59.5 | 20% | 0.199 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -70.6 | 136.5 | -177.3 | -168.9 | -91.9 | 0 | 0 | 0 | 111.8 | L419 T456 V457 T458 L462 F463 L464 | L419-H460 HydrophobicContact CD1-CB 4.03Å; L419-H460 HydrophobicContact CD2-CB 4.3Å; T456-H460 PolarHBondContact O-N 2.88Å; V457-H460 VanDerWaalsContact O-CB 3.27Å; V457-H460 WeakPolarHBondContact O-CB 3.12Å; V457-H460 PolarHBondContact O-N 2.9Å; T458-H460 VanDerWaalsContact C-N 3.3Å; H460-L462 VanDerWaalsContact C-N 3.28Å; H460-L462 VanDerWaalsContact ND1-CB 3.29Å; H460-L462 WeakPolarHBondContact ND1-CB 3.25Å; H460-L462 PolarHBondContact ND1-N 3.42Å; H460-L462 PolarHBondContact O-N 3.29Å; H460-F463 WeakPolarHBondContact O-CB 3.31Å; H460-F463 PolarHBondContact O-N 3.48Å; H460-L464 PolarHBondContact O-N 3.48Å |
| 461 | P | 89.1 | Confident | 85.3 | Confident | 94 Ų | 94 | 58.3 Ų | 58.3 | 61% | 0.61 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -54.3 | -39.9 | -177 | -28.3 | 34.9 | 0 | 0 | 0 | 114.3 | F463 L464 E465 | P461-F463 VanDerWaalsContact C-N 3.28Å; P461-F463 PolarHBondContact O-N 3.35Å; P461-L464 PolarHBondContact O-N 3Å; P461-E465 WeakPolarHBondContact O-CB 3.35Å; P461-E465 PolarHBondContact O-N 3.45Å |
| 462 | L | 87.4 | Confident | 85.3 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.8 | -37.3 | 178 | -171.4 | 68.3 | 0 | 0 | 0 | 112.7 | L426 L441 H460 E465 L466 | L426-L462 HydrophobicContact CD2-CD1 3.78Å; L441-L462 HydrophobicContact CD1-CD2 4.04Å; L441-L462 HydrophobicContact CD1-CG 4.09Å; H460-L462 VanDerWaalsContact C-N 3.28Å; H460-L462 VanDerWaalsContact ND1-CB 3.29Å; H460-L462 WeakPolarHBondContact ND1-CB 3.25Å; H460-L462 PolarHBondContact ND1-N 3.42Å; H460-L462 PolarHBondContact O-N 3.29Å; L462-E465 PolarHBondContact O-N 2.87Å; L462-L466 HydrophobicContact CD1-CD1 3.82Å; L462-L466 HydrophobicContact CD1-CG 4.23Å; L462-L466 HydrophobicContact CD2-CD1 4.48Å; L462-L466 HydrophobicContact CG-CD1 3.79Å; L462-L466 HydrophobicContact CG-CG 4.43Å; L462-L466 WeakPolarHBondContact O-CB 3.27Å; L462-L466 VanDerWaalsContact O-CG 3.29Å; L462-L466 WeakPolarHBondContact O-CG 3.25Å; L462-L466 PolarHBondContact O-N 2.87Å |
| 463 | F | 86.4 | Confident | 85.2 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.7 | -42.6 | 179.3 | -174.6 | -86.8 | 0 | 0 | 0 | 110.8 | L441 V457 T458 H460 P461 E465 L467 R472 L475 | L441-F463 HydrophobicContact CB-CD2 4.03Å; L441-F463 HydrophobicContact CB-CE2 4.43Å; L441-F463 HydrophobicContact CD1-CD2 4.44Å; V457-F463 HydrophobicContact CG1-CD2 3.96Å; V457-F463 HydrophobicContact CG1-CE2 4.41Å; V457-F463 VanDerWaalsContact O-CB 3.29Å; V457-F463 WeakPolarHBondContact O-CB 3.27Å; T458-F463 HydrophobicContact CG2-CD1 4.44Å; T458-F463 HydrophobicContact CG2-CE1 3.9Å; T458-F463 HydrophobicContact CG2-CE2 4.44Å; T458-F463 HydrophobicContact CG2-CZ 3.91Å; H460-F463 WeakPolarHBondContact O-CB 3.31Å; H460-F463 PolarHBondContact O-N 3.48Å; P461-F463 VanDerWaalsContact C-N 3.28Å; P461-F463 PolarHBondContact O-N 3.35Å; F463-E465 VanDerWaalsContact C-N 3.32Å; F463-E465 PolarHBondContact O-N 3.32Å; F463-L467 HydrophobicContact CD2-CD1 3.96Å; F463-L467 HydrophobicContact CE1-CD2 4.27Å; F463-L467 HydrophobicContact CE2-CD1 3.96Å; F463-L467 HydrophobicContact CE2-CD2 3.8Å; F463-L467 HydrophobicContact CE2-CG 4.47Å; F463-L467 HydrophobicContact CG-CD1 4.36Å; F463-L467 HydrophobicContact CZ-CD1 4.36Å; F463-L467 HydrophobicContact CZ-CD2 3.6Å; F463-L467 HydrophobicContact CZ-CG 4.45Å; F463-L467 PolarHBondContact O-N 2.91Å; F463-L467 VanDerWaalsContact O-N 3.14Å; F463-R472 HydrophobicContact CE1-CG 3.85Å; F463-L475 HydrophobicContact CE2-CD2 4.18Å; F463-L475 HydrophobicContact CZ-CD2 3.59Å |
| 464 | L | 85.5 | Confident | 85 | Confident | 79 Ų | 79 | 60.6 Ų | 60.6 | 41% | 0.414 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.2 | -32 | 176.8 | -60.9 | 174.9 | 0 | 0 | 0 | 112.6 | H460 P461 R472 | H460-L464 PolarHBondContact O-N 3.48Å; P461-L464 PolarHBondContact O-N 3Å; L464-R472 PolarHBondContact O-NH2 3.46Å |
| 465 | E | 87.1 | Confident | 84.7 | Confident | 75 Ų | 75 | 60.6 Ų | 60.6 | 35% | 0.35 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -72.8 | -43 | 176.8 | -175.1 | -174 | 159.8 | 0 | 0 | 112.4 | R428 P461 L462 F463 | R428-E465 IonicContact CZ-OE1 3.66Å; R428-E465 IonicContact CZ-OE2 2.71Å; R428-E465 IonicContact NE-OE1 3.44Å; R428-E465 PolarHBondContact NE-OE1 3.14Å; R428-E465 IonicContact NE-OE2 3.92Å; R428-E465 IonicContact NH2-OE1 2.63Å; R428-E465 IonicContact NH2-OE2 3.66Å; R428-E465 PolarHBondContact NH2-OE2 3.23Å; P461-E465 WeakPolarHBondContact O-CB 3.35Å; P461-E465 PolarHBondContact O-N 3.45Å; L462-E465 PolarHBondContact O-N 2.87Å; F463-E465 VanDerWaalsContact C-N 3.32Å; F463-E465 PolarHBondContact O-N 3.32Å |
| 466 | L | 86.4 | Confident | 84.3 | Confident | 24 Ų | 24 | 59.3 Ų | 59.3 | 13% | 0.126 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -89.3 | -33.1 | -168.6 | -68.7 | 177.7 | 0 | 0 | 0 | 114.5 | L426 R434 A437 A438 L441 L462 | L426-L466 HydrophobicContact CD2-CD1 4.17Å; L426-L466 HydrophobicContact CD2-CD2 3.9Å; L426-L466 HydrophobicContact CD2-CG 4.45Å; R434-L466 HydrophobicContact CB-CD2 4.19Å; R434-L466 HydrophobicContact CG-CD2 4.29Å; A437-L466 HydrophobicContact CB-CD1 3.72Å; A438-L466 HydrophobicContact CB-CB 4.06Å; L441-L466 HydrophobicContact CD1-CD1 4.1Å; L462-L466 HydrophobicContact CD1-CD1 3.82Å; L462-L466 HydrophobicContact CD1-CG 4.23Å; L462-L466 HydrophobicContact CD2-CD1 4.48Å; L462-L466 HydrophobicContact CG-CD1 3.79Å; L462-L466 HydrophobicContact CG-CG 4.43Å; L462-L466 WeakPolarHBondContact O-CB 3.27Å; L462-L466 VanDerWaalsContact O-CG 3.29Å; L462-L466 WeakPolarHBondContact O-CG 3.25Å; L462-L466 PolarHBondContact O-N 2.87Å |
| 467 | L | 86 | Confident | 84 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -96.4 | 137.8 | -178.6 | -77.8 | 83 | 0 | 0 | 0 | 111.4 | A438 L441 R442 F463 R472 | A438-L467 HydrophobicContact CB-CD1 4.27Å; L441-L467 HydrophobicContact CB-CD1 4.41Å; R442-L467 HydrophobicContact CB-CD2 4.26Å; F463-L467 HydrophobicContact CD2-CD1 3.96Å; F463-L467 HydrophobicContact CE1-CD2 4.27Å; F463-L467 HydrophobicContact CE2-CD1 3.96Å; F463-L467 HydrophobicContact CE2-CD2 3.8Å; F463-L467 HydrophobicContact CE2-CG 4.47Å; F463-L467 HydrophobicContact CG-CD1 4.36Å; F463-L467 HydrophobicContact CZ-CD1 4.36Å; F463-L467 HydrophobicContact CZ-CD2 3.6Å; F463-L467 HydrophobicContact CZ-CG 4.45Å; F463-L467 PolarHBondContact O-N 2.91Å; F463-L467 VanDerWaalsContact O-N 3.14Å; L467-R472 HydrophobicContact CB-CG 3.79Å; L467-R472 PolarHBondContact O-NH2 2.73Å |
| 468 | R | 82.6 | Confident | 83.5 | Confident | 195 Ų | 195 | 66.7 Ų | 66.7 | 74% | 0.736 | 33% | 0.334 | S | S | * | . | trans | -67.5 | 148.4 | 175.3 | -61.3 | 178.9 | -175.7 | -177 | 1.1 | 110.7 | D470 D471 R472 | R468-D470 PolarHBondContact O-N 3.19Å; R468-D470 VanDerWaalsContact O-N 3.15Å; R468-D471 PolarHBondContact O-N 3.17Å; R468-D471 VanDerWaalsContact O-N 3.08Å; R468-R472 WeakPolarHBondContact O-CG 3.23Å; R468-R472 PolarHBondContact O-N 2.83Å | ||
| 469 | D | 79.6 | Confident | 82.8 | Confident | 94 Ų | 94 | 67.8 Ų | 67.8 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -53.2 | -37.8 | -179.5 | -81.2 | -44.8 | 0 | 0 | 0 | 113.8 | R472 K473 | D469-R472 PolarHBondContact O-N 3.22Å; D469-R472 IonicContact OD1-CZ 3.23Å; D469-R472 IonicContact OD1-NE 2.63Å; D469-R472 PolarHBondContact OD1-NE 2.98Å; D469-R472 IonicContact OD1-NH1 3.68Å; D469-R472 PolarHBondContact OD1-NH1 3.46Å; D469-R472 IonicContact OD1-NH2 3.5Å; D469-R472 PolarHBondContact OD1-NH2 2.88Å; D469-K473 WeakPolarHBondContact O-CG 3.49Å; D469-K473 PolarHBondContact O-N 3.47Å |
| 470 | D | 79.5 | Confident | 82.1 | Confident | 112 Ų | 112 | 72.9 Ų | 72.9 | 60% | 0.599 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.6 | -42.3 | 179.3 | -63.4 | -31.7 | 0 | 0 | 0 | 112.3 | R468 R472 K473 V474 | R468-D470 PolarHBondContact O-N 3.19Å; R468-D470 VanDerWaalsContact O-N 3.15Å; D470-R472 VanDerWaalsContact C-N 3.3Å; D470-R472 PolarHBondContact O-N 3.11Å; D470-K473 PolarHBondContact O-N 3.03Å; D470-K473 IonicContact OD1-NZ 3.73Å; D470-V474 WeakPolarHBondContact O-CG2 3.31Å; D470-V474 PolarHBondContact O-N 3.48Å |
| 471 | D | 79.6 | Confident | 81.2 | Confident | 56 Ų | 56 | 78.2 Ų | 78.2 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 174.9 | -74.7 | -53.5 | 0 | 0 | 0 | 111.1 | R442 R468 V474 L475 | R442-D471 IonicContact CZ-OD1 2.82Å; R442-D471 IonicContact NH1-OD1 3.87Å; R442-D471 PolarHBondContact NH1-OD1 3.35Å; R468-D471 PolarHBondContact O-N 3.17Å; R468-D471 VanDerWaalsContact O-N 3.08Å; D471-V474 PolarHBondContact O-N 3.42Å; D471-L475 WeakPolarHBondContact O-CB 3.42Å; D471-L475 PolarHBondContact O-N 3.21Å |
| 472 | R | 81.5 | Confident | 80 | Confident | 54 Ų | 54 | 81 Ų | 81 | 20% | 0.204 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 177.1 | -61.2 | -171.6 | -51.5 | -140.7 | -132.4 | 111.4 | F463 L464 L467 R468 D469 D470 L475 M476 | F463-R472 HydrophobicContact CE1-CG 3.85Å; L464-R472 PolarHBondContact O-NH2 3.46Å; L467-R472 HydrophobicContact CB-CG 3.79Å; L467-R472 PolarHBondContact O-NH2 2.73Å; R468-R472 WeakPolarHBondContact O-CG 3.23Å; R468-R472 PolarHBondContact O-N 2.83Å; D469-R472 PolarHBondContact O-N 3.22Å; D469-R472 IonicContact OD1-CZ 3.23Å; D469-R472 IonicContact OD1-NE 2.63Å; D469-R472 PolarHBondContact OD1-NE 2.98Å; D469-R472 IonicContact OD1-NH1 3.68Å; D469-R472 PolarHBondContact OD1-NH1 3.46Å; D469-R472 IonicContact OD1-NH2 3.5Å; D469-R472 PolarHBondContact OD1-NH2 2.88Å; D470-R472 VanDerWaalsContact C-N 3.3Å; D470-R472 PolarHBondContact O-N 3.11Å; R472-L475 PolarHBondContact O-N 3.44Å; R472-M476 WeakPolarHBondContact O-CB 3.3Å; R472-M476 VanDerWaalsContact O-CG 3.27Å; R472-M476 WeakPolarHBondContact O-CG 3.29Å; R472-M476 PolarHBondContact O-N 3.43Å |
| 473 | K | 82.7 | Confident | 78.9 | Confident | 137 Ų | 137 | 81.9 Ų | 81.9 | 60% | 0.596 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.8 | -45.6 | 176 | -73.4 | 170.7 | -172 | 167.5 | 0 | 111.6 | D469 D470 M476 E477 | D469-K473 WeakPolarHBondContact O-CG 3.49Å; D469-K473 PolarHBondContact O-N 3.47Å; D470-K473 PolarHBondContact O-N 3.03Å; D470-K473 IonicContact OD1-NZ 3.73Å; K473-M476 PolarHBondContact O-N 3.29Å; K473-E477 WeakPolarHBondContact O-CB 3.46Å; K473-E477 PolarHBondContact O-N 3.36Å |
| 474 | V | 82.8 | Confident | 77.8 | Confident | 72 Ų | 72 | 85.6 Ų | 85.6 | 44% | 0.436 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 178.5 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | D470 D471 E477 Q478 | D470-V474 WeakPolarHBondContact O-CG2 3.31Å; D470-V474 PolarHBondContact O-N 3.48Å; D471-V474 PolarHBondContact O-N 3.42Å; V474-E477 PolarHBondContact O-N 3.26Å; V474-Q478 WeakPolarHBondContact O-CG 3.36Å; V474-Q478 PolarHBondContact O-N 2.68Å |
| 475 | L | 79.7 | Confident | 77.3 | Confident | 5 Ų | 5 | 87.5 Ų | 87.5 | 3% | 0.026 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 179.5 | -171.1 | 75.5 | 0 | 0 | 0 | 111.7 | C445 E446 F463 D471 R472 E477 Q478 T479 | C445-L475 HydrophobicContact CB-CD1 4.29Å; C445-L475 HydrophobicContact CB-CD2 3.66Å; C445-L475 HydrophobicContact CB-CG 4.38Å; E446-L475 HydrophobicContact CG-CD1 3.76Å; F463-L475 HydrophobicContact CE2-CD2 4.18Å; F463-L475 HydrophobicContact CZ-CD2 3.59Å; D471-L475 WeakPolarHBondContact O-CB 3.42Å; D471-L475 PolarHBondContact O-N 3.21Å; R472-L475 PolarHBondContact O-N 3.44Å; L475-E477 VanDerWaalsContact C-N 3.31Å; L475-E477 PolarHBondContact O-N 3.39Å; L475-Q478 WeakPolarHBondContact O-CB 3.37Å; L475-Q478 PolarHBondContact O-N 3.43Å; L475-T479 PolarHBondContact O-N 3.27Å; L475-T479 PolarHBondContact O-OG1 3.31Å |
| 476 | M | 77.3 | Confident | 76.8 | Confident | 77 Ų | 77 | 91.9 Ų | 91.9 | 38% | 0.379 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 176.7 | -75.4 | -66.4 | -168.3 | 0 | 0 | 112.5 | T458 R472 K473 T479 R480 | T458-M476 HydrophobicContact CG2-CE 3.6Å; T458-M476 HydrophobicContact CG2-SD 4.37Å; T458-M476 VanDerWaalsContact OG1-CE 3.27Å; T458-M476 WeakPolarHBondContact OG1-CE 3.41Å; R472-M476 WeakPolarHBondContact O-CB 3.3Å; R472-M476 VanDerWaalsContact O-CG 3.27Å; R472-M476 WeakPolarHBondContact O-CG 3.29Å; R472-M476 PolarHBondContact O-N 3.43Å; K473-M476 PolarHBondContact O-N 3.29Å; M476-T479 PolarHBondContact O-N 3.02Å; M476-R480 VanDerWaalsContact O-CB 3.25Å; M476-R480 WeakPolarHBondContact O-CB 3.31Å; M476-R480 PolarHBondContact O-N 2.87Å |
| 477 | E | 80.9 | Confident | 76.5 | Confident | 86 Ų | 86 | 98 Ų | 98 | 40% | 0.402 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 175.8 | -176.1 | 58.2 | -157.3 | 0 | 0 | 111.2 | K473 V474 L475 R480 K481 | K473-E477 WeakPolarHBondContact O-CB 3.46Å; K473-E477 PolarHBondContact O-N 3.36Å; V474-E477 PolarHBondContact O-N 3.26Å; L475-E477 VanDerWaalsContact C-N 3.31Å; L475-E477 PolarHBondContact O-N 3.39Å; E477-R480 PolarHBondContact O-N 2.96Å; E477-K481 HydrophobicContact CG-CD 4.46Å; E477-K481 WeakPolarHBondContact O-CB 3.26Å; E477-K481 VanDerWaalsContact O-CG 3.26Å; E477-K481 WeakPolarHBondContact O-CG 3.4Å; E477-K481 PolarHBondContact O-N 3.17Å; E477-K481 WeakPolarHBondContact OE1-CE 3.42Å |
| 478 | Q | 76.1 | Confident | 76 | Confident | 92 Ų | 92 | 102.2 Ų | 102.2 | 43% | 0.43 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 173.1 | -71.6 | 175.5 | -4.5 | 0 | 0 | 112.1 | V474 L475 R480 | V474-Q478 WeakPolarHBondContact O-CG 3.36Å; V474-Q478 PolarHBondContact O-N 2.68Å; L475-Q478 WeakPolarHBondContact O-CB 3.37Å; L475-Q478 PolarHBondContact O-N 3.43Å; Q478-R480 VanDerWaalsContact C-N 3.35Å |
| 479 | T | 71.3 | Confident | 75.5 | Confident | 31 Ų | 31 | 97.9 Ų | 97.9 | 19% | 0.19 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 175.1 | -47.8 | 0 | 0 | 0 | 0 | 111.7 | R451 V454 L475 M476 K482 | R451-T479 PolarHBondContact NH2-O 3.35Å; V454-T479 HydrophobicContact CB-CG2 4.37Å; V454-T479 HydrophobicContact CG1-CG2 3.88Å; L475-T479 PolarHBondContact O-N 3.27Å; L475-T479 PolarHBondContact O-OG1 3.31Å; M476-T479 PolarHBondContact O-N 3.02Å; T479-K482 PolarHBondContact O-N 3.26Å |
| 480 | R | 72.5 | Confident | 75.1 | Confident | 189 Ų | 189 | 101.9 Ų | 101.9 | 71% | 0.713 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.4 | -40.1 | 178.8 | -171.9 | 179.6 | -180 | -177.8 | 0.9 | 112.2 | M476 E477 Q478 K482 G483 | M476-R480 VanDerWaalsContact O-CB 3.25Å; M476-R480 WeakPolarHBondContact O-CB 3.31Å; M476-R480 PolarHBondContact O-N 2.87Å; E477-R480 PolarHBondContact O-N 2.96Å; Q478-R480 VanDerWaalsContact C-N 3.35Å; R480-K482 PolarHBondContact O-N 3.11Å; R480-G483 WeakPolarHBondContact O-CA 3.31Å; R480-G483 PolarHBondContact O-N 3.43Å |
| 481 | K | 70.4 | Confident | 74.5 | Confident | 154 Ų | 154 | 100.6 Ų | 100.6 | 67% | 0.67 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -57.8 | -27.9 | 175.2 | -80.1 | 175.9 | 179.4 | 179.5 | 0 | 113.1 | E477 G483 | E477-K481 HydrophobicContact CG-CD 4.46Å; E477-K481 WeakPolarHBondContact O-CB 3.26Å; E477-K481 VanDerWaalsContact O-CG 3.26Å; E477-K481 WeakPolarHBondContact O-CG 3.4Å; E477-K481 PolarHBondContact O-N 3.17Å; E477-K481 WeakPolarHBondContact OE1-CE 3.42Å; K481-G483 PolarHBondContact O-N 3.14Å |
| 482 | K | 65.3 | Low | 73.8 | Confident | 152 Ų | 152 | 105.3 Ų | 105.3 | 66% | 0.661 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 16.1 | 170.9 | -62.2 | -179.2 | 179.7 | -179.1 | 0 | 113.5 | R451 T479 R480 | R451-K482 PolarHBondContact NH2-O 3.48Å; T479-K482 PolarHBondContact O-N 3.26Å; R480-K482 PolarHBondContact O-N 3.11Å |
| 483 | G | 63.3 | Low | 72.7 | Confident | 23 Ų | 23 | 108.1 Ų | 108.1 | 24% | 0.237 | 59% | 0.591 | C | S | . | * | S | Bend | trans | -98.9 | 153.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R480 K481 | R480-G483 WeakPolarHBondContact O-CA 3.31Å; R480-G483 PolarHBondContact O-N 3.43Å; K481-G483 PolarHBondContact O-N 3.14Å |
| 484 | G | 64.8 | Low | 71.5 | Confident | 79 Ų | 79 | 105.6 Ų | 105.6 | 81% | 0.814 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 135.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 485 | V | 74.2 | Confident | 70.5 | Confident | 119 Ų | 119 | 106.6 Ų | 106.6 | 72% | 0.721 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 126.4 | 170.3 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | L487 | V485-L487 HydrophobicContact CG1-CD2 3.82Å; V485-L487 HydrophobicContact CG1-CG 4.28Å; V485-L487 PolarHBondContact O-N 3.06Å; V485-L487 VanDerWaalsContact O-N 3.15Å |
| 486 | N | 76.8 | Confident | 69.8 | Low | 167 Ų | 167 | 116.3 Ų | 116.3 | 89% | 0.893 | 63% | 0.627 | S | S | * | * | trans | -76.2 | 101.1 | 172 | -69.8 | -31.7 | 0 | 0 | 0 | 109 | ||||
| 487 | L | 78.8 | Confident | 69 | Low | 152 Ų | 152 | 119.6 Ų | 119.6 | 80% | 0.796 | 65% | 0.646 | S | S | * | * | trans | -88 | 136.7 | 173.6 | -61.2 | 174.7 | 0 | 0 | 0 | 109.5 | V485 A489 | V485-L487 HydrophobicContact CG1-CD2 3.82Å; V485-L487 HydrophobicContact CG1-CG 4.28Å; V485-L487 PolarHBondContact O-N 3.06Å; V485-L487 VanDerWaalsContact O-N 3.15Å; L487-A489 PolarHBondContact O-N 3.28Å | ||
| 488 | S | 77.3 | Confident | 68.3 | Low | 100 Ų | 100 | 123 Ų | 123 | 70% | 0.699 | 67% | 0.665 | S | S | * | * | trans | -74 | 120.9 | 171.2 | 177.5 | 0 | 0 | 0 | 0 | 109.7 | K490 | S488-K490 VanDerWaalsContact C-N 3.28Å; S488-K490 PolarHBondContact OG-N 3.3Å; S488-K490 PolarHBondContact OG-O 3.32Å | ||
| 489 | A | 71.1 | Confident | 67.8 | Low | 105 Ų | 105 | 120 Ų | 120 | 87% | 0.868 | 65% | 0.653 | S | S | * | * | trans | -79.8 | -9.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L487 | L487-A489 PolarHBondContact O-N 3.28Š| ||
| 490 | K | 72.1 | Confident | 67.6 | Low | 177 Ų | 177 | 124.1 Ų | 124.1 | 77% | 0.77 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -82.6 | 125.1 | -178.3 | -67.8 | -174.5 | 179.9 | -179.3 | 0 | 110.3 | S488 | S488-K490 VanDerWaalsContact C-N 3.28Å; S488-K490 PolarHBondContact OG-N 3.3Å; S488-K490 PolarHBondContact OG-O 3.32Å |
| 491 | P | 65.3 | Low | 68 | Low | 85 Ų | 85 | 117.5 Ų | 117.5 | 55% | 0.552 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 146.5 | 170.1 | -17.6 | 29.3 | 0 | 0 | 0 | 110.6 | P493 | P491-P493 WeakPolarHBondContact O-CD 3.44Š|
| 492 | L | 65.9 | Low | 68.3 | Low | 155 Ų | 155 | 113.6 Ų | 113.6 | 81% | 0.812 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 121.8 | 174.2 | -74.7 | 157.2 | 0 | 0 | 0 | 110 | S494 R515 | L492-S494 PolarHBondContact O-N 3.18Å; L492-R515 PolarHBondContact O-NH1 3.46Å; L492-R515 VanDerWaalsContact O-NH1 3.09Å |
| 493 | P | 57.8 | Low | 69 | Low | 114 Ų | 114 | 110.4 Ų | 110.4 | 74% | 0.74 | 67% | 0.667 | S | S | * | * | trans | -79.2 | 107.5 | 167.9 | 8.7 | 6.4 | 0 | 0 | 0 | 107.8 | P491 | P491-P493 WeakPolarHBondContact O-CD 3.44Š| ||
| 494 | S | 57.4 | Low | 69.9 | Low | 84 Ų | 84 | 112.5 Ų | 112.5 | 59% | 0.587 | 68% | 0.675 | S | S | * | * | trans | -95 | 9.3 | 178.8 | 65.4 | 0 | 0 | 0 | 0 | 113.6 | L492 | L492-S494 PolarHBondContact O-N 3.18Š| ||
| 495 | F | 62.2 | Low | 70.8 | Confident | 93 Ų | 93 | 110.8 Ų | 110.8 | 41% | 0.408 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -124.6 | 140.5 | -174 | -64.7 | -82.4 | 0 | 0 | 0 | 110.9 | Q508 | F495-Q508 HydrophobicContact CB-CG 4.14Š|
| 496 | Y | 64.2 | Low | 71.4 | Confident | 208 Ų | 208 | 106.6 Ų | 106.6 | 82% | 0.816 | 62% | 0.62 | S | S | * | * | trans | -73.2 | 143.1 | 176 | -60.3 | -84.4 | 0 | 0 | 0 | 110.4 | I498 Q508 | Y496-I498 PolarHBondContact O-N 3.42Å; Y496-Q508 PolarHBondContact O-NE2 2.97Å; Y496-Q508 PolarHBondContact O-OE1 3Å; Y496-Q508 VanDerWaalsContact O-OE1 3.11Å | ||
| 497 | D | 60.7 | Low | 71.8 | Confident | 146 Ų | 146 | 100.2 Ų | 100.2 | 78% | 0.781 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -67.8 | -15.3 | -172.4 | -68.8 | -39.5 | 0 | 0 | 0 | 114.9 | ||
| 498 | I | 66.4 | Low | 72.1 | Confident | 157 Ų | 157 | 93.5 Ų | 93.5 | 81% | 0.805 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -135.4 | 86.7 | 179 | -50.2 | 175.2 | 0 | 0 | 0 | 109.5 | Y496 | Y496-I498 PolarHBondContact O-N 3.42Š|
| 499 | P | 65.9 | Low | 72.6 | Confident | 29 Ų | 29 | 89 Ų | 89 | 19% | 0.188 | 53% | 0.527 | C | S | . | . | trans | -74 | 135.9 | 173.4 | 27.8 | -31.3 | 0 | 0 | 0 | 110.9 | S501 V504 N505 | P499-S501 PolarHBondContact O-N 3.5Å; P499-S501 VanDerWaalsContact O-N 3.12Å; P499-V504 HydrophobicContact CB-CB 3.79Å; P499-V504 HydrophobicContact CB-CG1 3.46Å; P499-V504 VanDerWaalsContact CB-CG1 3.46Å; P499-V504 HydrophobicContact CG-CB 4.4Å; P499-V504 HydrophobicContact CG-CG1 4.13Å; P499-N505 HydrophobicContact CG-CB 3.75Å | ||
| 500 | A | 67.5 | Low | 73.4 | Confident | 119 Ų | 119 | 85.6 Ų | 85.6 | 98% | 0.983 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -68.7 | -6.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 501 | S | 80.2 | Confident | 74.1 | Confident | 50 Ų | 50 | 79.8 Ų | 79.8 | 35% | 0.35 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -120.1 | 134.7 | -178.3 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | P499 S503 V504 N505 | P499-S501 PolarHBondContact O-N 3.5Å; P499-S501 VanDerWaalsContact O-N 3.12Å; S501-S503 VanDerWaalsContact C-N 3.26Å; S501-S503 PolarHBondContact O-N 3.14Å; S501-S503 PolarHBondContact OG-N 2.9Å; S501-S503 PolarHBondContact OG-OG 3.38Å; S501-V504 PolarHBondContact O-N 3.03Å; S501-N505 PolarHBondContact O-N 3.35Å |
| 502 | A | 77.1 | Confident | 75.2 | Confident | 72 Ų | 72 | 78.4 Ų | 78.4 | 60% | 0.595 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -58.5 | -35.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N505 I506 | A502-N505 PolarHBondContact O-N 3.05Å; A502-I506 VanDerWaalsContact O-CG1 3.25Å; A502-I506 WeakPolarHBondContact O-CG1 3.32Å; A502-I506 PolarHBondContact O-N 2.88Å |
| 503 | S | 80.9 | Confident | 76.4 | Confident | 84 Ų | 84 | 71 Ų | 71 | 59% | 0.587 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -68.1 | -35.9 | 178.6 | 61.1 | 0 | 0 | 0 | 0 | 112.8 | S501 G507 | S501-S503 VanDerWaalsContact C-N 3.26Å; S501-S503 PolarHBondContact O-N 3.14Å; S501-S503 PolarHBondContact OG-N 2.9Å; S501-S503 PolarHBondContact OG-OG 3.38Å; S503-G507 PolarHBondContact O-N 3.49Å; S503-G507 VanDerWaalsContact O-N 3.07Å |
| 504 | V | 82.3 | Confident | 77.9 | Confident | 68 Ų | 68 | 68.8 Ų | 68.8 | 41% | 0.412 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -74.3 | -37.7 | 176.7 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | P499 S501 G507 Q508 | P499-V504 HydrophobicContact CB-CB 3.79Å; P499-V504 HydrophobicContact CB-CG1 3.46Å; P499-V504 VanDerWaalsContact CB-CG1 3.46Å; P499-V504 HydrophobicContact CG-CB 4.4Å; P499-V504 HydrophobicContact CG-CG1 4.13Å; S501-V504 PolarHBondContact O-N 3.03Å; V504-G507 PolarHBondContact O-N 3.29Å; V504-Q508 WeakPolarHBondContact O-CB 3.24Å; V504-Q508 PolarHBondContact O-N 3.14Å |
| 505 | N | 83.9 | Confident | 79.3 | Confident | 43 Ų | 43 | 69.9 Ų | 69.9 | 23% | 0.23 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 174.2 | -163.6 | 15.8 | 0 | 0 | 0 | 111.8 | P499 S501 A502 G507 Q508 L509 | P499-N505 HydrophobicContact CG-CB 3.75Å; S501-N505 PolarHBondContact O-N 3.35Å; A502-N505 PolarHBondContact O-N 3.05Å; N505-G507 VanDerWaalsContact C-N 3.35Å; N505-G507 PolarHBondContact O-N 3.34Å; N505-Q508 PolarHBondContact O-N 3.24Å; N505-L509 WeakPolarHBondContact O-CG 3.16Å; N505-L509 PolarHBondContact O-N 3.35Å |
| 506 | I | 85.1 | Confident | 80.7 | Confident | 30 Ų | 30 | 66.1 Ų | 66.1 | 15% | 0.154 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 176.4 | -67.8 | 165.6 | 0 | 0 | 0 | 110.4 | A502 Q508 L509 E510 L529 L532 A533 | A502-I506 VanDerWaalsContact O-CG1 3.25Å; A502-I506 WeakPolarHBondContact O-CG1 3.32Å; A502-I506 PolarHBondContact O-N 2.88Å; I506-Q508 VanDerWaalsContact C-N 3.33Å; I506-Q508 PolarHBondContact O-N 3.14Å; I506-L509 PolarHBondContact O-N 2.89Å; I506-E510 HydrophobicContact CG2-CG 4.43Å; I506-E510 WeakPolarHBondContact O-CB 3.32Å; I506-E510 VanDerWaalsContact O-CG 3.32Å; I506-E510 WeakPolarHBondContact O-CG 3.29Å; I506-E510 PolarHBondContact O-N 3.49Å; I506-L529 HydrophobicContact CG2-CD2 4.13Å; I506-L532 HydrophobicContact CG1-CB 4.4Å; I506-L532 HydrophobicContact CG1-CD1 4.42Å; I506-A533 HydrophobicContact CD1-CB 4.5Å |
| 507 | G | 85.7 | Confident | 81.9 | Confident | 33 Ų | 33 | 59.8 Ų | 59.8 | 34% | 0.34 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.3 | -36.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S503 V504 N505 Q511 | S503-G507 PolarHBondContact O-N 3.49Å; S503-G507 VanDerWaalsContact O-N 3.07Å; V504-G507 PolarHBondContact O-N 3.29Å; N505-G507 VanDerWaalsContact C-N 3.35Å; N505-G507 PolarHBondContact O-N 3.34Å; G507-Q511 WeakPolarHBondContact O-CB 3.38Å; G507-Q511 PolarHBondContact O-N 2.91Å |
| 508 | Q | 85.2 | Confident | 83.4 | Confident | 12 Ų | 12 | 56.4 Ų | 56.4 | 6% | 0.056 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69 | -44.9 | 176.2 | -178 | 174.4 | 2.6 | 0 | 0 | 111.6 | F495 Y496 V504 N505 I506 Q511 Q512 | F495-Q508 HydrophobicContact CB-CG 4.14Å; Y496-Q508 PolarHBondContact O-NE2 2.97Å; Y496-Q508 PolarHBondContact O-OE1 3Å; Y496-Q508 VanDerWaalsContact O-OE1 3.11Å; V504-Q508 WeakPolarHBondContact O-CB 3.24Å; V504-Q508 PolarHBondContact O-N 3.14Å; N505-Q508 PolarHBondContact O-N 3.24Å; I506-Q508 VanDerWaalsContact C-N 3.33Å; I506-Q508 PolarHBondContact O-N 3.14Å; Q508-Q511 PolarHBondContact O-N 2.98Å; Q508-Q512 WeakPolarHBondContact O-CG 3.34Å; Q508-Q512 PolarHBondContact O-N 3.3Å |
| 509 | L | 86.9 | Confident | 84.7 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 175.2 | -73.3 | 172.8 | 0 | 0 | 0 | 111.5 | N505 I506 Q511 Q512 L513 I525 E528 L529 L532 | N505-L509 WeakPolarHBondContact O-CG 3.16Å; N505-L509 PolarHBondContact O-N 3.35Å; I506-L509 PolarHBondContact O-N 2.89Å; L509-Q511 VanDerWaalsContact C-N 3.34Å; L509-Q511 PolarHBondContact O-N 3.09Å; L509-Q512 PolarHBondContact O-N 3.12Å; L509-L513 VanDerWaalsContact O-CB 3.31Å; L509-L513 WeakPolarHBondContact O-CB 3.29Å; L509-L513 PolarHBondContact O-N 3.13Å; L509-I525 HydrophobicContact CB-CG2 4.15Å; L509-I525 HydrophobicContact CD2-CG2 4.28Å; L509-I525 WeakPolarHBondContact O-CG2 3.44Å; L509-E528 HydrophobicContact CD1-CG 3.87Å; L509-L529 HydrophobicContact CB-CD1 4.39Å; L509-L529 HydrophobicContact CB-CD2 3.65Å; L509-L529 HydrophobicContact CB-CG 4Å; L509-L529 HydrophobicContact CD1-CD2 4.08Å; L509-L529 HydrophobicContact CD1-CG 4.42Å; L509-L532 HydrophobicContact CD1-CD1 3.86Å |
| 510 | E | 88.8 | Confident | 86 | Confident | 32 Ų | 32 | 57.6 Ų | 57.6 | 15% | 0.15 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.6 | -42 | 172.9 | -77.4 | 179.5 | 171.8 | 0 | 0 | 112 | I506 L513 I514 L529 R535 F537 V540 | I506-E510 HydrophobicContact CG2-CG 4.43Å; I506-E510 WeakPolarHBondContact O-CB 3.32Å; I506-E510 VanDerWaalsContact O-CG 3.32Å; I506-E510 WeakPolarHBondContact O-CG 3.29Å; I506-E510 PolarHBondContact O-N 3.49Å; E510-L513 WeakPolarHBondContact O-CB 3.25Å; E510-L513 PolarHBondContact O-N 2.88Å; E510-I514 WeakPolarHBondContact O-CG1 3.43Å; E510-I514 PolarHBondContact O-N 3.4Å; E510-L529 HydrophobicContact CG-CD1 4.27Å; E510-L529 HydrophobicContact CG-CD2 4.33Å; E510-R535 IonicContact OE1-CZ 3.54Å; E510-R535 IonicContact OE1-NE 3.52Å; E510-R535 IonicContact OE1-NH2 2.78Å; E510-R535 PolarHBondContact OE1-NH2 2.97Å; E510-R535 IonicContact OE2-NH2 3.76Å; E510-F537 HydrophobicContact CG-CD1 4.5Å; E510-V540 HydrophobicContact CB-CG1 3.88Å; E510-V540 HydrophobicContact CG-CG1 4.04Å; E510-V540 HydrophobicContact CG-CG2 4.04Å |
| 511 | Q | 87.2 | Confident | 87.2 | Confident | 55 Ų | 55 | 56.5 Ų | 56.5 | 26% | 0.257 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 175.8 | -165 | -171.4 | 43.7 | 0 | 0 | 112.3 | G507 Q508 L509 L513 I514 R515 | G507-Q511 WeakPolarHBondContact O-CB 3.38Å; G507-Q511 PolarHBondContact O-N 2.91Å; Q508-Q511 PolarHBondContact O-N 2.98Å; L509-Q511 VanDerWaalsContact C-N 3.34Å; L509-Q511 PolarHBondContact O-N 3.09Å; Q511-L513 VanDerWaalsContact C-N 3.29Å; Q511-L513 PolarHBondContact O-N 3.08Å; Q511-I514 PolarHBondContact O-N 3.2Å; Q511-R515 WeakPolarHBondContact O-CG 3.46Å; Q511-R515 PolarHBondContact O-N 3.02Å; Q511-R515 VanDerWaalsContact O-N 3.07Å |
| 512 | Q | 87.6 | Confident | 87.9 | Confident | 57 Ų | 57 | 54.1 Ų | 54.1 | 27% | 0.266 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 174 | -72.5 | -176.2 | 21.1 | 0 | 0 | 111 | Q508 L509 R515 A516 I525 | Q508-Q512 WeakPolarHBondContact O-CG 3.34Å; Q508-Q512 PolarHBondContact O-N 3.3Å; L509-Q512 PolarHBondContact O-N 3.12Å; Q512-R515 PolarHBondContact O-N 3.14Å; Q512-A516 VanDerWaalsContact O-CB 3.27Å; Q512-A516 WeakPolarHBondContact O-CB 3.49Å; Q512-A516 PolarHBondContact O-N 3.45Å; Q512-I525 HydrophobicContact CB-CD1 3.85Å |
| 513 | L | 91 | Very high | 88.6 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 175 | -178.3 | 64.6 | 0 | 0 | 0 | 111.4 | L509 E510 Q511 R515 I522 I525 L526 L529 W544 I568 K572 | L509-L513 VanDerWaalsContact O-CB 3.31Å; L509-L513 WeakPolarHBondContact O-CB 3.29Å; L509-L513 PolarHBondContact O-N 3.13Å; E510-L513 WeakPolarHBondContact O-CB 3.25Å; E510-L513 PolarHBondContact O-N 2.88Å; Q511-L513 VanDerWaalsContact C-N 3.29Å; Q511-L513 PolarHBondContact O-N 3.08Å; L513-R515 VanDerWaalsContact C-N 3.31Å; L513-R515 PolarHBondContact O-N 2.86Å; L513-I522 HydrophobicContact CD1-CB 4.42Å; L513-I522 HydrophobicContact CD1-CG2 3.89Å; L513-I525 HydrophobicContact CB-CG2 3.86Å; L513-I525 HydrophobicContact CD1-CB 4.44Å; L513-I525 HydrophobicContact CD1-CG2 4.33Å; L513-L526 HydrophobicContact CD1-CD1 4.36Å; L513-L526 HydrophobicContact CD1-CD2 4.25Å; L513-L526 HydrophobicContact CD1-CG 3.9Å; L513-L526 HydrophobicContact CD2-CD2 3.7Å; L513-L526 HydrophobicContact CD2-CG 4.29Å; L513-L529 HydrophobicContact CD2-CD1 4.01Å; L513-W544 HydrophobicContact CD2-CH2 4.42Å; L513-W544 HydrophobicContact CG-CH2 4.2Å; L513-I568 HydrophobicContact CD2-CD1 4.11Å; L513-K572 VanDerWaalsContact O-CE 3.25Å; L513-K572 WeakPolarHBondContact O-CE 3.31Å; L513-K572 PolarHBondContact O-NZ 3.47Å |
| 514 | I | 90.6 | Very high | 89.2 | Confident | 66 Ų | 66 | 58.9 Ų | 58.9 | 34% | 0.338 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 175.3 | -68.1 | 167.3 | 0 | 0 | 0 | 110.8 | E510 Q511 V540 N541 W544 K572 | E510-I514 WeakPolarHBondContact O-CG1 3.43Å; E510-I514 PolarHBondContact O-N 3.4Å; Q511-I514 PolarHBondContact O-N 3.2Å; I514-V540 HydrophobicContact CD1-CG1 3.94Å; I514-V540 HydrophobicContact CG1-CG1 4.13Å; I514-N541 HydrophobicContact CD1-CB 4.48Å; I514-N541 HydrophobicContact CG1-CB 4.32Å; I514-W544 HydrophobicContact CG1-CH2 4.29Å; I514-W544 HydrophobicContact CG1-CZ2 4.21Å; I514-K572 PolarHBondContact O-NZ 2.99Å |
| 515 | R | 86.1 | Confident | 89.7 | Confident | 107 Ų | 107 | 55.7 Ų | 55.7 | 40% | 0.404 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -78 | -27.4 | -176.7 | -67 | 175.6 | -177.2 | -161.5 | 3 | 114.3 | L492 Q511 Q512 L513 | L492-R515 PolarHBondContact O-NH1 3.46Å; L492-R515 VanDerWaalsContact O-NH1 3.09Å; Q511-R515 WeakPolarHBondContact O-CG 3.46Å; Q511-R515 PolarHBondContact O-N 3.02Å; Q511-R515 VanDerWaalsContact O-N 3.07Å; Q512-R515 PolarHBondContact O-N 3.14Å; L513-R515 VanDerWaalsContact C-N 3.31Å; L513-R515 PolarHBondContact O-N 2.86Å |
| 516 | A | 90.4 | Very high | 90.1 | Very high | 15 Ų | 15 | 53.6 Ų | 53.6 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | trans | -68.8 | 136 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q512 R521 I522 I525 K572 | Q512-A516 VanDerWaalsContact O-CB 3.27Å; Q512-A516 WeakPolarHBondContact O-CB 3.49Å; Q512-A516 PolarHBondContact O-N 3.45Å; A516-R521 HydrophobicContact CB-CG 4.28Å; A516-I522 HydrophobicContact CB-CG1 3.83Å; A516-I525 HydrophobicContact CB-CD1 4.42Å; A516-K572 PolarHBondContact O-NZ 3.32Å | ||
| 517 | L | 90 | Very high | 90.5 | Very high | 74 Ų | 74 | 56.2 Ų | 56.2 | 39% | 0.387 | 26% | 0.26 | S | S | . | . | trans | -117 | -15.4 | 172.5 | -65.8 | 175.6 | 0 | 0 | 0 | 112.6 | P519 P584 L588 | L517-P519 WeakPolarHBondContact O-CD 3.49Å; L517-P584 HydrophobicContact CB-CB 4.38Å; L517-L588 WeakPolarHBondContact O-CD2 3.47Å | ||
| 518 | D | 92.6 | Very high | 90.7 | Very high | 76 Ų | 76 | 58.7 Ų | 58.7 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | trans | -74.6 | 120.7 | 174.1 | 170.6 | 30.2 | 0 | 0 | 0 | 110.3 | R520 R521 I522 | D518-R520 PolarHBondContact O-N 3.43Å; D518-R520 PolarHBondContact OD1-N 2.85Å; D518-R521 HydrophobicContact CB-CB 4.12Å; D518-R521 PolarHBondContact O-N 2.93Å; D518-R521 PolarHBondContact OD2-N 3.39Å; D518-I522 WeakPolarHBondContact O-CG1 3.13Å; D518-I522 PolarHBondContact O-N 2.98Å | ||
| 519 | P | 93.2 | Very high | 91 | Very high | 13 Ų | 13 | 58.1 Ų | 58.1 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.6 | -35.1 | -179.6 | -20.1 | 27.3 | 0 | 0 | 0 | 113.4 | L517 I522 R523 L569 Q587 L588 A591 | L517-P519 WeakPolarHBondContact O-CD 3.49Å; P519-I522 PolarHBondContact O-N 3.43Å; P519-R523 WeakPolarHBondContact O-CB 3.02Å; P519-R523 PolarHBondContact O-N 2.96Å; P519-L569 HydrophobicContact CB-CD2 4Å; P519-Q587 HydrophobicContact CG-CB 4.26Å; P519-L588 HydrophobicContact CB-CD2 4.45Å; P519-L588 HydrophobicContact CG-CD2 4Å; P519-L588 HydrophobicContact CG-CG 4.39Å; P519-A591 HydrophobicContact CB-CB 3.43Å; P519-A591 VanDerWaalsContact CB-CB 3.43Å; P519-A591 HydrophobicContact CG-CB 3.81Å |
| 520 | R | 93.6 | Very high | 91.2 | Very high | 198 Ų | 198 | 60 Ų | 60 | 75% | 0.747 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -68.8 | -46.1 | -179.3 | -65.2 | 179.7 | 179.2 | 177.1 | 0.6 | 110.9 | D518 R523 Q524 | D518-R520 PolarHBondContact O-N 3.43Å; D518-R520 PolarHBondContact OD1-N 2.85Å; R520-R523 PolarHBondContact O-N 3.14Å; R520-Q524 WeakPolarHBondContact O-CG 3.33Å; R520-Q524 PolarHBondContact O-N 2.87Å |
| 521 | R | 92.1 | Very high | 91.1 | Very high | 95 Ų | 95 | 61.9 Ų | 61.9 | 36% | 0.358 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 175 | -174.6 | 58.3 | 179.1 | 171.2 | 4.8 | 112.2 | A516 D518 R523 Q524 I525 | A516-R521 HydrophobicContact CB-CG 4.28Å; D518-R521 HydrophobicContact CB-CB 4.12Å; D518-R521 PolarHBondContact O-N 2.93Å; D518-R521 PolarHBondContact OD2-N 3.39Å; R521-R523 VanDerWaalsContact C-N 3.34Å; R521-R523 PolarHBondContact O-N 3.49Å; R521-Q524 PolarHBondContact O-N 3.44Å; R521-I525 HydrophobicContact CG-CD1 3.84Å; R521-I525 HydrophobicContact CG-CG1 4.44Å; R521-I525 VanDerWaalsContact O-CG1 3.3Å; R521-I525 WeakPolarHBondContact O-CG1 3.3Å; R521-I525 PolarHBondContact O-N 3.1Å |
| 522 | I | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.9 | -48 | 174.9 | -70.2 | 164.1 | 0 | 0 | 0 | 110.5 | L513 A516 D518 P519 Q524 I525 L526 L565 I568 L569 K572 L588 | L513-I522 HydrophobicContact CD1-CB 4.42Å; L513-I522 HydrophobicContact CD1-CG2 3.89Å; A516-I522 HydrophobicContact CB-CG1 3.83Å; D518-I522 WeakPolarHBondContact O-CG1 3.13Å; D518-I522 PolarHBondContact O-N 2.98Å; P519-I522 PolarHBondContact O-N 3.43Å; I522-Q524 PolarHBondContact O-N 3.45Å; I522-I525 PolarHBondContact O-N 3.23Å; I522-L526 HydrophobicContact CG2-CD1 3.92Å; I522-L526 WeakPolarHBondContact O-CB 3.16Å; I522-L526 WeakPolarHBondContact O-CG 3.39Å; I522-L526 PolarHBondContact O-N 3.39Å; I522-L565 HydrophobicContact CG2-CD1 4.17Å; I522-I568 HydrophobicContact CG2-CG2 3.97Å; I522-L569 HydrophobicContact CD1-CD2 4.22Å; I522-L569 HydrophobicContact CG2-CD2 4.28Å; I522-K572 HydrophobicContact CD1-CD 3.63Å; I522-K572 HydrophobicContact CG1-CD 4.49Å; I522-L588 HydrophobicContact CD1-CD2 3.59Å |
| 523 | R | 93.4 | Very high | 90.9 | Very high | 145 Ų | 145 | 62 Ų | 62 | 55% | 0.547 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 177.9 | -176.1 | 178.3 | -177.1 | -156.2 | 3.1 | 112.3 | P519 R520 R521 L526 I527 L565 | P519-R523 WeakPolarHBondContact O-CB 3.02Å; P519-R523 PolarHBondContact O-N 2.96Å; R520-R523 PolarHBondContact O-N 3.14Å; R521-R523 VanDerWaalsContact C-N 3.34Å; R521-R523 PolarHBondContact O-N 3.49Å; R523-L526 PolarHBondContact O-N 2.91Å; R523-I527 HydrophobicContact CG-CD1 3.93Å; R523-I527 VanDerWaalsContact O-CG1 3.3Å; R523-I527 WeakPolarHBondContact O-CG1 3.37Å; R523-I527 PolarHBondContact O-N 3.48Å; R523-L565 HydrophobicContact CB-CD1 4.06Å; R523-L565 HydrophobicContact CB-CD2 4.39Å; R523-L565 HydrophobicContact CG-CD1 4.45Å; R523-L565 HydrophobicContact CG-CD2 3.95Å |
| 524 | Q | 93.4 | Very high | 90.2 | Very high | 111 Ų | 111 | 71.8 Ų | 71.8 | 52% | 0.519 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.6 | -49.7 | 177.9 | -73.9 | 173.4 | -9.4 | 0 | 0 | 112 | R520 R521 I522 L526 I527 E528 | R520-Q524 WeakPolarHBondContact O-CG 3.33Å; R520-Q524 PolarHBondContact O-N 2.87Å; R521-Q524 PolarHBondContact O-N 3.44Å; I522-Q524 PolarHBondContact O-N 3.45Å; Q524-L526 VanDerWaalsContact C-N 3.29Å; Q524-L526 PolarHBondContact O-N 3.39Å; Q524-I527 PolarHBondContact O-N 3.4Å; Q524-E528 PolarHBondContact O-N 2.83Å |
| 525 | I | 91.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 180 | -64.7 | 165.1 | 0 | 0 | 0 | 110.7 | L509 Q512 L513 A516 R521 I522 E528 L529 | L509-I525 HydrophobicContact CB-CG2 4.15Å; L509-I525 HydrophobicContact CD2-CG2 4.28Å; L509-I525 WeakPolarHBondContact O-CG2 3.44Å; Q512-I525 HydrophobicContact CB-CD1 3.85Å; L513-I525 HydrophobicContact CB-CG2 3.86Å; L513-I525 HydrophobicContact CD1-CB 4.44Å; L513-I525 HydrophobicContact CD1-CG2 4.33Å; A516-I525 HydrophobicContact CB-CD1 4.42Å; R521-I525 HydrophobicContact CG-CD1 3.84Å; R521-I525 HydrophobicContact CG-CG1 4.44Å; R521-I525 VanDerWaalsContact O-CG1 3.3Å; R521-I525 WeakPolarHBondContact O-CG1 3.3Å; R521-I525 PolarHBondContact O-N 3.1Å; I522-I525 PolarHBondContact O-N 3.23Å; I525-E528 PolarHBondContact O-N 2.79Å; I525-L529 HydrophobicContact CG2-CD1 3.85Å; I525-L529 HydrophobicContact CG2-CG 4.26Å; I525-L529 WeakPolarHBondContact O-CB 3.46Å; I525-L529 WeakPolarHBondContact O-CG 3.34Å; I525-L529 PolarHBondContact O-N 3.17Å |
| 526 | L | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.7 | -38.2 | 178.4 | -77.4 | 171 | 0 | 0 | 0 | 113.3 | L513 I522 R523 Q524 E528 L529 H530 F537 L561 L565 I568 | L513-L526 HydrophobicContact CD1-CD1 4.36Å; L513-L526 HydrophobicContact CD1-CD2 4.25Å; L513-L526 HydrophobicContact CD1-CG 3.9Å; L513-L526 HydrophobicContact CD2-CD2 3.7Å; L513-L526 HydrophobicContact CD2-CG 4.29Å; I522-L526 HydrophobicContact CG2-CD1 3.92Å; I522-L526 WeakPolarHBondContact O-CB 3.16Å; I522-L526 WeakPolarHBondContact O-CG 3.39Å; I522-L526 PolarHBondContact O-N 3.39Å; R523-L526 PolarHBondContact O-N 2.91Å; Q524-L526 VanDerWaalsContact C-N 3.29Å; Q524-L526 PolarHBondContact O-N 3.39Å; L526-E528 VanDerWaalsContact C-N 3.34Å; L526-L529 PolarHBondContact O-N 2.83Å; L526-H530 PolarHBondContact O-N 3.41Å; L526-H530 PolarHBondContact O-ND1 2.94Å; L526-F537 HydrophobicContact CD2-CB 4.06Å; L526-L561 HydrophobicContact CB-CD1 4.03Å; L526-L565 HydrophobicContact CD1-CB 4.24Å; L526-L565 HydrophobicContact CD1-CD1 3.78Å; L526-I568 HydrophobicContact CD1-CD1 3.8Å; L526-I568 HydrophobicContact CD2-CD1 3.68Å; L526-I568 HydrophobicContact CG-CD1 4.29Å |
| 527 | I | 92.8 | Very high | 90.1 | Very high | 84 Ų | 84 | 71.7 Ų | 71.7 | 43% | 0.431 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 174.1 | -70 | 164.9 | 0 | 0 | 0 | 110 | R523 Q524 H530 G531 L561 | R523-I527 HydrophobicContact CG-CD1 3.93Å; R523-I527 VanDerWaalsContact O-CG1 3.3Å; R523-I527 WeakPolarHBondContact O-CG1 3.37Å; R523-I527 PolarHBondContact O-N 3.48Å; Q524-I527 PolarHBondContact O-N 3.4Å; I527-H530 PolarHBondContact O-N 2.87Å; I527-G531 PolarHBondContact O-N 2.92Å; I527-G531 VanDerWaalsContact O-N 3.11Å; I527-L561 HydrophobicContact CG1-CD1 4.14Å; I527-L561 HydrophobicContact CG1-CD2 3.85Å |
| 528 | E | 90.7 | Very high | 90.1 | Very high | 86 Ų | 86 | 69.3 Ų | 69.3 | 40% | 0.402 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 178.3 | -169.4 | 177.1 | 173.8 | 0 | 0 | 111.9 | L509 Q524 I525 L526 G531 L532 | L509-E528 HydrophobicContact CD1-CG 3.87Å; Q524-E528 PolarHBondContact O-N 2.83Å; I525-E528 PolarHBondContact O-N 2.79Å; L526-E528 VanDerWaalsContact C-N 3.34Å; E528-G531 PolarHBondContact O-N 3.18Å; E528-L532 HydrophobicContact CG-CD1 4.4Å; E528-L532 WeakPolarHBondContact O-CG 3.46Å; E528-L532 PolarHBondContact O-N 3.36Å |
| 529 | L | 90.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 177.5 | -78.6 | 173.1 | 0 | 0 | 0 | 113.1 | I506 L509 E510 L513 I525 L526 G531 L532 A533 F537 | I506-L529 HydrophobicContact CG2-CD2 4.13Å; L509-L529 HydrophobicContact CB-CD1 4.39Å; L509-L529 HydrophobicContact CB-CD2 3.65Å; L509-L529 HydrophobicContact CB-CG 4Å; L509-L529 HydrophobicContact CD1-CD2 4.08Å; L509-L529 HydrophobicContact CD1-CG 4.42Å; E510-L529 HydrophobicContact CG-CD1 4.27Å; E510-L529 HydrophobicContact CG-CD2 4.33Å; L513-L529 HydrophobicContact CD2-CD1 4.01Å; I525-L529 HydrophobicContact CG2-CD1 3.85Å; I525-L529 HydrophobicContact CG2-CG 4.26Å; I525-L529 WeakPolarHBondContact O-CB 3.46Å; I525-L529 WeakPolarHBondContact O-CG 3.34Å; I525-L529 PolarHBondContact O-N 3.17Å; L526-L529 PolarHBondContact O-N 2.83Å; L529-G531 VanDerWaalsContact C-N 3.26Å; L529-G531 PolarHBondContact O-N 3.37Å; L529-L532 PolarHBondContact O-N 3.45Å; L529-L532 VanDerWaalsContact O-N 3.12Å; L529-A533 PolarHBondContact O-N 3.04Å; L529-F537 HydrophobicContact CB-CD1 4.21Å; L529-F537 HydrophobicContact CB-CD2 4.14Å; L529-F537 HydrophobicContact CB-CE1 3.92Å; L529-F537 HydrophobicContact CB-CE2 3.85Å; L529-F537 HydrophobicContact CB-CG 4.3Å; L529-F537 HydrophobicContact CB-CZ 3.73Å; L529-F537 HydrophobicContact CD1-CD1 4.01Å; L529-F537 HydrophobicContact CD1-CE1 4.31Å; L529-F537 HydrophobicContact CD1-CG 4.34Å; L529-F537 HydrophobicContact CD2-CD1 4.42Å; L529-F537 HydrophobicContact CD2-CE1 3.92Å; L529-F537 HydrophobicContact CD2-CZ 4.35Å; L529-F537 HydrophobicContact CG-CD1 4.46Å; L529-F537 HydrophobicContact CG-CE1 4.28Å; L529-F537 WeakPolarHBondContact O-CZ 3.4Å |
| 530 | H | 90.6 | Very high | 89.7 | Confident | 46 Ų | 46 | 75.6 Ų | 75.6 | 21% | 0.213 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.5 | -26.6 | 176.1 | -76.8 | 81.4 | 0 | 0 | 0 | 112.7 | L526 I527 L532 F537 D564 | L526-H530 PolarHBondContact O-N 3.41Å; L526-H530 PolarHBondContact O-ND1 2.94Å; I527-H530 PolarHBondContact O-N 2.87Å; H530-L532 VanDerWaalsContact C-N 3.31Å; H530-F537 AromaticContact CE1-CD2 3.62Å; H530-F537 AromaticContact ND1-CD2 3.79Å; H530-D564 IonicContact CE1-OD2 3.51Å; H530-D564 IonicContact NE2-OD2 3.24Å |
| 531 | G | 87.6 | Confident | 89.4 | Confident | 71 Ų | 71 | 67.9 Ų | 67.9 | 73% | 0.732 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -73.1 | -20.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114 | I527 E528 L529 | I527-G531 PolarHBondContact O-N 2.92Å; I527-G531 VanDerWaalsContact O-N 3.11Å; E528-G531 PolarHBondContact O-N 3.18Å; L529-G531 VanDerWaalsContact C-N 3.26Å; L529-G531 PolarHBondContact O-N 3.37Å |
| 532 | L | 86.3 | Confident | 89.1 | Confident | 87 Ų | 87 | 66.9 Ų | 66.9 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -99.1 | -28.8 | -177.8 | -67.7 | 172.9 | 0 | 0 | 0 | 113.7 | I506 L509 E528 L529 H530 | I506-L532 HydrophobicContact CG1-CB 4.4Å; I506-L532 HydrophobicContact CG1-CD1 4.42Å; L509-L532 HydrophobicContact CD1-CD1 3.86Å; E528-L532 HydrophobicContact CG-CD1 4.4Å; E528-L532 WeakPolarHBondContact O-CG 3.46Å; E528-L532 PolarHBondContact O-N 3.36Å; L529-L532 PolarHBondContact O-N 3.45Å; L529-L532 VanDerWaalsContact O-N 3.12Å; H530-L532 VanDerWaalsContact C-N 3.31Å |
| 533 | A | 83.3 | Confident | 88.8 | Confident | 28 Ų | 28 | 74.5 Ų | 74.5 | 23% | 0.231 | 38% | 0.383 | C | S | . | . | trans | -152.5 | 138 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I506 L529 R535 F537 | I506-A533 HydrophobicContact CD1-CB 4.5Å; L529-A533 PolarHBondContact O-N 3.04Å; A533-R535 PolarHBondContact O-N 3.29Å; A533-R535 VanDerWaalsContact O-N 3.13Å; A533-F537 HydrophobicContact CB-CZ 4.19Å | ||
| 534 | E | 77.8 | Confident | 88.7 | Confident | 205 Ų | 205 | 68.4 Ų | 68.4 | 96% | 0.958 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -86.7 | 73.4 | 176.7 | -65.3 | -168.7 | 163 | 0 | 0 | 111.7 | ||
| 535 | R | 87.4 | Confident | 88.4 | Confident | 123 Ų | 123 | 70.4 Ų | 70.4 | 46% | 0.464 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -144.6 | 159.2 | 174.1 | 73.1 | 176.9 | -174.2 | 178.3 | -0.9 | 111.6 | E510 A533 F537 | E510-R535 IonicContact OE1-CZ 3.54Å; E510-R535 IonicContact OE1-NE 3.52Å; E510-R535 IonicContact OE1-NH2 2.78Å; E510-R535 PolarHBondContact OE1-NH2 2.97Å; E510-R535 IonicContact OE2-NH2 3.76Å; A533-R535 PolarHBondContact O-N 3.29Å; A533-R535 VanDerWaalsContact O-N 3.13Å; R535-F537 HydrophobicContact CG-CE1 4.06Å; R535-F537 HydrophobicContact CG-CE2 4.24Å; R535-F537 HydrophobicContact CG-CZ 3.89Å; R535-F537 WeakPolarHBondContact O-CD2 3.34Å; R535-F537 WeakPolarHBondContact O-CE2 3.5Å |
| 536 | P | 86.6 | Confident | 88.3 | Confident | 63 Ų | 63 | 70.9 Ų | 70.9 | 41% | 0.409 | 37% | 0.372 | S | S | . | . | trans | -71.5 | 129.4 | 172.4 | 27.2 | -32.5 | 0 | 0 | 0 | 111.9 | W538 D564 | P536-W538 VanDerWaalsContact CB-CD1 3.48Å; P536-D564 WeakPolarHBondContact CA-OD2 3.41Å | ||
| 537 | F | 90.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 38% | 0.379 | C | S | . | . | trans | -99.5 | -7.7 | 177.8 | -64.3 | -80.5 | 0 | 0 | 0 | 113.6 | E510 L526 L529 H530 A533 R535 R539 V540 D564 | E510-F537 HydrophobicContact CG-CD1 4.5Å; L526-F537 HydrophobicContact CD2-CB 4.06Å; L529-F537 HydrophobicContact CB-CD1 4.21Å; L529-F537 HydrophobicContact CB-CD2 4.14Å; L529-F537 HydrophobicContact CB-CE1 3.92Å; L529-F537 HydrophobicContact CB-CE2 3.85Å; L529-F537 HydrophobicContact CB-CG 4.3Å; L529-F537 HydrophobicContact CB-CZ 3.73Å; L529-F537 HydrophobicContact CD1-CD1 4.01Å; L529-F537 HydrophobicContact CD1-CE1 4.31Å; L529-F537 HydrophobicContact CD1-CG 4.34Å; L529-F537 HydrophobicContact CD2-CD1 4.42Å; L529-F537 HydrophobicContact CD2-CE1 3.92Å; L529-F537 HydrophobicContact CD2-CZ 4.35Å; L529-F537 HydrophobicContact CG-CD1 4.46Å; L529-F537 HydrophobicContact CG-CE1 4.28Å; L529-F537 WeakPolarHBondContact O-CZ 3.4Å; H530-F537 AromaticContact CE1-CD2 3.62Å; H530-F537 AromaticContact ND1-CD2 3.79Å; A533-F537 HydrophobicContact CB-CZ 4.19Å; R535-F537 HydrophobicContact CG-CE1 4.06Å; R535-F537 HydrophobicContact CG-CE2 4.24Å; R535-F537 HydrophobicContact CG-CZ 3.89Å; R535-F537 WeakPolarHBondContact O-CD2 3.34Å; R535-F537 WeakPolarHBondContact O-CE2 3.5Å; F537-R539 PolarHBondContact O-N 3.11Å; F537-V540 HydrophobicContact CB-CG2 4.21Å; F537-V540 HydrophobicContact CD1-CG2 4.23Å; F537-V540 WeakPolarHBondContact O-CB 3.31Å; F537-V540 WeakPolarHBondContact O-CG2 3.48Å; F537-V540 PolarHBondContact O-N 3.19Å; F537-D564 PolarHBondContact N-OD2 3.36Å | ||
| 538 | W | 88.4 | Confident | 87.9 | Confident | 23 Ų | 23 | 73.1 Ų | 73.1 | 9% | 0.087 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18.9 | 176.8 | 67.9 | -89.6 | 0 | 0 | 0 | 114.7 | P536 L555 D564 Y567 I568 | P536-W538 VanDerWaalsContact CB-CD1 3.48Å; W538-L555 HydrophobicContact CD2-CD2 4.47Å; W538-L555 HydrophobicContact CH2-CD1 4.24Å; W538-L555 HydrophobicContact CH2-CD2 4.08Å; W538-L555 HydrophobicContact CZ2-CD1 4.3Å; W538-L555 HydrophobicContact CZ2-CD2 3.62Å; W538-D564 HydrophobicContact CB-CB 4.44Å; W538-D564 PolarHBondContact N-OD2 3.48Å; W538-Y567 HydrophobicContact CB-CD1 3.7Å; W538-Y567 HydrophobicContact CB-CE1 4.34Å; W538-Y567 HydrophobicContact CB-CG 3.97Å; W538-Y567 HydrophobicContact CD2-CD1 4.45Å; W538-Y567 HydrophobicContact CD2-CE1 4.46Å; W538-Y567 HydrophobicContact CD2-CG 4.47Å; W538-Y567 AromaticContact CE3-CD1 3.99Å; W538-Y567 HydrophobicContact CE3-CD1 3.99Å; W538-Y567 HydrophobicContact CE3-CD2 4.1Å; W538-Y567 AromaticContact CE3-CE1 3.59Å; W538-Y567 HydrophobicContact CE3-CE1 3.59Å; W538-Y567 AromaticContact CE3-CE2 3.71Å; W538-Y567 HydrophobicContact CE3-CE2 3.71Å; W538-Y567 HydrophobicContact CE3-CG 4.23Å; W538-Y567 AromaticContact CE3-CZ 3.43Å; W538-Y567 VanDerWaalsContact CE3-CZ 3.43Å; W538-Y567 HydrophobicContact CG-CD1 4.41Å; W538-Y567 HydrophobicContact CG-CG 4.43Å; W538-Y567 HydrophobicContact CZ3-CE1 4.3Å; W538-Y567 AromaticContact CZ3-CE2 3.85Å; W538-Y567 HydrophobicContact CZ3-CE2 3.85Å; W538-Y567 AromaticContact CZ3-CZ 3.69Å; W538-I568 HydrophobicContact CB-CG1 4.42Å |
| 539 | R | 88.5 | Confident | 87.6 | Confident | 180 Ų | 180 | 72.6 Ų | 72.6 | 68% | 0.679 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 4.9 | 177.5 | -67.3 | -171.4 | -178.1 | -176.4 | 0.1 | 114.8 | F537 N541 | F537-R539 PolarHBondContact O-N 3.11Å; R539-N541 PolarHBondContact O-N 3.29Å; R539-N541 VanDerWaalsContact O-N 3.11Å |
| 540 | V | 89.4 | Confident | 87.5 | Confident | 41 Ų | 41 | 72.6 Ų | 72.6 | 25% | 0.248 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -59.4 | -24.7 | -176.8 | 166.7 | 0 | 0 | 0 | 0 | 112.6 | E510 I514 F537 | E510-V540 HydrophobicContact CB-CG1 3.88Å; E510-V540 HydrophobicContact CG-CG1 4.04Å; E510-V540 HydrophobicContact CG-CG2 4.04Å; I514-V540 HydrophobicContact CD1-CG1 3.94Å; I514-V540 HydrophobicContact CG1-CG1 4.13Å; F537-V540 HydrophobicContact CB-CG2 4.21Å; F537-V540 HydrophobicContact CD1-CG2 4.23Å; F537-V540 WeakPolarHBondContact O-CB 3.31Å; F537-V540 WeakPolarHBondContact O-CG2 3.48Å; F537-V540 PolarHBondContact O-N 3.19Å |
| 541 | N | 87.8 | Confident | 87.3 | Confident | 36 Ų | 36 | 73 Ų | 73 | 19% | 0.193 | 40% | 0.396 | C | S | . | . | trans | -129.2 | 119.1 | 175.5 | -175.7 | -0.7 | 0 | 0 | 0 | 111.5 | I514 R539 K543 W544 | I514-N541 HydrophobicContact CD1-CB 4.48Å; I514-N541 HydrophobicContact CG1-CB 4.32Å; R539-N541 PolarHBondContact O-N 3.29Å; R539-N541 VanDerWaalsContact O-N 3.11Å; N541-K543 PolarHBondContact O-N 3.33Å; N541-K543 VanDerWaalsContact O-N 3.14Å; N541-K543 WeakPolarHBondContact OD1-CB 3.3Å; N541-K543 PolarHBondContact OD1-N 2.93Å; N541-W544 HydrophobicContact CB-CD2 3.73Å; N541-W544 HydrophobicContact CB-CE3 4.02Å; N541-W544 HydrophobicContact CB-CG 4.09Å; N541-W544 HydrophobicContact CB-CH2 4.43Å; N541-W544 HydrophobicContact CB-CZ2 4.18Å; N541-W544 HydrophobicContact CB-CZ3 4.35Å; N541-W544 PolarHBondContact ND2-NE1 3.45Å; N541-W544 PolarHBondContact O-N 3.41Å | ||
| 542 | G | 86.6 | Confident | 87.3 | Confident | 75 Ų | 75 | 72.1 Ų | 72.1 | 77% | 0.773 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -10.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 543 | K | 87.4 | Confident | 87.2 | Confident | 160 Ų | 160 | 69.4 Ų | 69.4 | 70% | 0.696 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -7.2 | 176.2 | -59.6 | -173.3 | 178.1 | -175.7 | 0 | 113.9 | N541 E545 | N541-K543 PolarHBondContact O-N 3.33Å; N541-K543 VanDerWaalsContact O-N 3.14Å; N541-K543 WeakPolarHBondContact OD1-CB 3.3Å; N541-K543 PolarHBondContact OD1-N 2.93Å; K543-E545 PolarHBondContact O-N 3.5Å |
| 544 | W | 90.8 | Very high | 87.5 | Confident | 16 Ų | 16 | 68 Ų | 68 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | trans | -82.7 | 99 | 177.5 | -70.8 | -14.5 | 0 | 0 | 0 | 109.7 | L513 I514 N541 Y567 I568 A571 K572 | L513-W544 HydrophobicContact CD2-CH2 4.42Å; L513-W544 HydrophobicContact CG-CH2 4.2Å; I514-W544 HydrophobicContact CG1-CH2 4.29Å; I514-W544 HydrophobicContact CG1-CZ2 4.21Å; N541-W544 HydrophobicContact CB-CD2 3.73Å; N541-W544 HydrophobicContact CB-CE3 4.02Å; N541-W544 HydrophobicContact CB-CG 4.09Å; N541-W544 HydrophobicContact CB-CH2 4.43Å; N541-W544 HydrophobicContact CB-CZ2 4.18Å; N541-W544 HydrophobicContact CB-CZ3 4.35Å; N541-W544 PolarHBondContact ND2-NE1 3.45Å; N541-W544 PolarHBondContact O-N 3.41Å; W544-Y567 HydrophobicContact CB-CE1 4.37Å; W544-Y567 PolarHBondContact O-OH 3.35Å; W544-I568 HydrophobicContact CE3-CG1 4.04Å; W544-I568 HydrophobicContact CH2-CG1 4.39Å; W544-I568 HydrophobicContact CH2-CG2 4.21Å; W544-I568 HydrophobicContact CZ3-CD1 3.95Å; W544-I568 HydrophobicContact CZ3-CG1 3.7Å; W544-I568 HydrophobicContact CZ3-CG2 4.31Å; W544-A571 HydrophobicContact CB-CB 3.74Å; W544-A571 HydrophobicContact CG-CB 4.14Å; W544-K572 VanDerWaalsContact CZ2-CE 3.44Å; W544-K572 HydrophobicContact CZ2-CG 4.43Å | ||
| 545 | E | 88.1 | Confident | 88 | Confident | 153 Ų | 153 | 61.2 Ų | 61.2 | 72% | 0.715 | 33% | 0.332 | S | S | * | . | trans | -109.1 | 114.8 | -178.3 | -66.5 | -176.7 | 179.3 | 0 | 0 | 110.4 | K543 | K543-E545 PolarHBondContact O-N 3.5Š| ||
| 546 | V | 89.7 | Confident | 88 | Confident | 11 Ų | 11 | 58.9 Ų | 58.9 | 7% | 0.067 | 34% | 0.339 | C | S | . | . | trans | -94.8 | 134.9 | 166.5 | 177.1 | 0 | 0 | 0 | 0 | 108.2 | Y567 M570 A571 | V546-Y567 HydrophobicContact CB-CD2 4.36Å; V546-Y567 HydrophobicContact CB-CE2 3.83Å; V546-Y567 HydrophobicContact CG2-CD1 4.2Å; V546-Y567 HydrophobicContact CG2-CD2 3.77Å; V546-Y567 HydrophobicContact CG2-CE1 4Å; V546-Y567 HydrophobicContact CG2-CE2 3.54Å; V546-Y567 HydrophobicContact CG2-CG 4.1Å; V546-M570 HydrophobicContact CG1-SD 3.69Å; V546-A571 HydrophobicContact CG2-CB 3.89Å | ||
| 547 | P | 89.9 | Confident | 88.2 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 14% | 0.136 | 33% | 0.325 | C | S | . | . | trans | -51.2 | 142.2 | 178.9 | -28.1 | 32.1 | 0 | 0 | 0 | 112.9 | D549 Y550 I551 L574 | P547-D549 PolarHBondContact O-N 2.95Å; P547-D549 VanDerWaalsContact O-N 3.13Å; P547-Y550 HydrophobicContact CB-CD2 3.93Å; P547-Y550 HydrophobicContact CB-CE2 4.28Å; P547-Y550 HydrophobicContact CG-CD2 3.93Å; P547-Y550 HydrophobicContact CG-CE2 4.17Å; P547-Y550 PolarHBondContact O-N 2.93Å; P547-I551 PolarHBondContact O-N 3.42Å; P547-I551 VanDerWaalsContact O-N 3.12Å; P547-L574 VanDerWaalsContact CD-CD1 3.47Å; P547-L574 HydrophobicContact CG-CD1 4.14Å | ||
| 548 | P | 86.4 | Confident | 88 | Confident | 110 Ų | 110 | 66.9 Ų | 66.9 | 71% | 0.714 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.8 | -25.8 | -179.4 | 25.8 | -34.6 | 0 | 0 | 0 | 112.4 | Y550 I551 | P548-Y550 PolarHBondContact O-N 3.3Å; P548-I551 WeakPolarHBondContact O-CG2 3.31Å |
| 549 | D | 85.3 | Confident | 88.1 | Confident | 76 Ų | 76 | 69.7 Ų | 69.7 | 41% | 0.406 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.8 | -28.1 | 175.2 | -52.4 | -76.6 | 0 | 0 | 0 | 113 | P547 P649 | P547-D549 PolarHBondContact O-N 2.95Å; P547-D549 VanDerWaalsContact O-N 3.13Å; D549-P649 HydrophobicContact CB-CB 4.31Å; D549-P649 WeakPolarHBondContact O-CB 3.46Å; D549-P649 WeakPolarHBondContact O-CG 3.36Å |
| 550 | Y | 88.2 | Confident | 88 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -107.4 | -25.8 | -174.9 | -54.4 | -37.7 | 0 | 0 | 0 | 113.3 | P547 P548 G552 T553 V554 M570 V606 E610 P649 R651 | P547-Y550 HydrophobicContact CB-CD2 3.93Å; P547-Y550 HydrophobicContact CB-CE2 4.28Å; P547-Y550 HydrophobicContact CG-CD2 3.93Å; P547-Y550 HydrophobicContact CG-CE2 4.17Å; P547-Y550 PolarHBondContact O-N 2.93Å; P548-Y550 PolarHBondContact O-N 3.3Å; Y550-G552 VanDerWaalsContact C-N 3.29Å; Y550-G552 PolarHBondContact O-N 3.18Å; Y550-T553 PolarHBondContact O-N 3.32Å; Y550-V554 PolarHBondContact O-N 2.84Å; Y550-M570 HydrophobicContact CD2-SD 4.34Å; Y550-V606 HydrophobicContact CD1-CB 4.49Å; Y550-V606 HydrophobicContact CD1-CG1 3.64Å; Y550-V606 HydrophobicContact CD1-CG2 3.96Å; Y550-V606 HydrophobicContact CD2-CG1 4.01Å; Y550-V606 HydrophobicContact CE1-CB 4.41Å; Y550-V606 HydrophobicContact CE1-CG1 3.65Å; Y550-V606 HydrophobicContact CE1-CG2 3.93Å; Y550-V606 HydrophobicContact CE2-CG1 4.03Å; Y550-V606 HydrophobicContact CG-CG1 3.84Å; Y550-E610 HydrophobicContact CE2-CG 4.32Å; Y550-E610 WeakPolarHBondContact CE2-OE1 3.47Å; Y550-E610 PolarHBondContact OH-OE1 2.86Å; Y550-P649 HydrophobicContact CD1-CB 4.4Å; Y550-P649 HydrophobicContact CD1-CG 3.77Å; Y550-P649 HydrophobicContact CE1-CB 4.29Å; Y550-P649 HydrophobicContact CE1-CG 3.91Å; Y550-P649 WeakPolarHBondContact CE1-O 3.39Å; Y550-R651 WeakPolarHBondContact OH-CB 3.35Å |
| 551 | I | 87.5 | Confident | 88.1 | Confident | 55 Ų | 55 | 62.4 Ų | 62.4 | 28% | 0.282 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55.9 | -41.7 | -172.5 | -160.3 | 168.3 | 0 | 0 | 0 | 112.7 | P547 P548 T553 V554 L555 Y567 | P547-I551 PolarHBondContact O-N 3.42Å; P547-I551 VanDerWaalsContact O-N 3.12Å; P548-I551 WeakPolarHBondContact O-CG2 3.31Å; I551-T553 VanDerWaalsContact C-N 3.32Å; I551-T553 PolarHBondContact O-N 3.14Å; I551-V554 PolarHBondContact O-N 3.22Å; I551-L555 HydrophobicContact CD1-CD1 4.39Å; I551-L555 HydrophobicContact CG1-CD1 3.82Å; I551-L555 HydrophobicContact CG1-CG 4.14Å; I551-L555 WeakPolarHBondContact O-CB 3.24Å; I551-L555 VanDerWaalsContact O-CG 3.28Å; I551-L555 WeakPolarHBondContact O-CG 3.35Å; I551-L555 PolarHBondContact O-N 3.44Å; I551-Y567 HydrophobicContact CD1-CE2 4.41Å; I551-Y567 HydrophobicContact CG1-CE2 4.29Å |
| 552 | G | 86.1 | Confident | 88.2 | Confident | 52 Ų | 52 | 62.1 Ų | 62.1 | 54% | 0.536 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.3 | -34.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y550 A556 | Y550-G552 VanDerWaalsContact C-N 3.29Å; Y550-G552 PolarHBondContact O-N 3.18Å; G552-A556 WeakPolarHBondContact O-CB 3.45Å; G552-A556 PolarHBondContact O-N 3.46Å |
| 553 | T | 86 | Confident | 88.5 | Confident | 29 Ų | 29 | 61.3 Ų | 61.3 | 18% | 0.178 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -75.7 | -37.9 | 178.2 | -52.6 | 0 | 0 | 0 | 0 | 111.2 | Y550 I551 K602 L603 | Y550-T553 PolarHBondContact O-N 3.32Å; I551-T553 VanDerWaalsContact C-N 3.32Å; I551-T553 PolarHBondContact O-N 3.14Å; T553-K602 HydrophobicContact CG2-CD 3.95Å; T553-K602 HydrophobicContact CG2-CG 4.19Å; T553-L603 HydrophobicContact CG2-CD2 3.6Å; T553-L603 HydrophobicContact CG2-CG 3.82Å |
| 554 | V | 88.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.5 | -44.7 | 177.6 | 176.8 | 0 | 0 | 0 | 0 | 111 | Y550 I551 A556 I557 V566 Y567 L603 | Y550-V554 PolarHBondContact O-N 2.84Å; I551-V554 PolarHBondContact O-N 3.22Å; V554-A556 PolarHBondContact O-N 3.09Å; V554-I557 WeakPolarHBondContact O-CB 3.5Å; V554-I557 WeakPolarHBondContact O-CD1 3.37Å; V554-I557 VanDerWaalsContact O-CG1 3.25Å; V554-I557 WeakPolarHBondContact O-CG1 3.31Å; V554-I557 PolarHBondContact O-N 3Å; V554-V566 HydrophobicContact CG1-CG1 4.11Å; V554-V566 HydrophobicContact CG2-CG1 4.28Å; V554-Y567 HydrophobicContact CG1-CD2 4.11Å; V554-L603 HydrophobicContact CG2-CD2 3.97Å |
| 555 | L | 88.6 | Confident | 88.9 | Confident | 61 Ų | 61 | 53.3 Ų | 53.3 | 32% | 0.319 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -71.4 | -16 | -179.1 | -66 | -178.9 | 0 | 0 | 0 | 113.8 | W538 I551 I557 R563 | W538-L555 HydrophobicContact CD2-CD2 4.47Å; W538-L555 HydrophobicContact CH2-CD1 4.24Å; W538-L555 HydrophobicContact CH2-CD2 4.08Å; W538-L555 HydrophobicContact CZ2-CD1 4.3Å; W538-L555 HydrophobicContact CZ2-CD2 3.62Å; I551-L555 HydrophobicContact CD1-CD1 4.39Å; I551-L555 HydrophobicContact CG1-CD1 3.82Å; I551-L555 HydrophobicContact CG1-CG 4.14Å; I551-L555 WeakPolarHBondContact O-CB 3.24Å; I551-L555 VanDerWaalsContact O-CG 3.28Å; I551-L555 WeakPolarHBondContact O-CG 3.35Å; I551-L555 PolarHBondContact O-N 3.44Å; L555-I557 PolarHBondContact O-N 3.18Å; L555-R563 HydrophobicContact CD2-CG 4.46Å |
| 556 | A | 87.6 | Confident | 89.2 | Confident | 74 Ų | 74 | 46.1 Ų | 46.1 | 61% | 0.612 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | G552 V554 K558 | G552-A556 WeakPolarHBondContact O-CB 3.45Å; G552-A556 PolarHBondContact O-N 3.46Å; V554-A556 PolarHBondContact O-N 3.09Å; A556-K558 PolarHBondContact O-N 3.31Å |
| 557 | I | 90.1 | Very high | 89.4 | Confident | 22 Ų | 22 | 46.2 Ų | 46.2 | 11% | 0.113 | 27% | 0.267 | C | S | . | . | trans | -67.3 | 124.2 | 175.1 | -60.9 | 168.6 | 0 | 0 | 0 | 109.3 | V554 L555 T562 R563 V566 F599 L603 | V554-I557 WeakPolarHBondContact O-CB 3.5Å; V554-I557 WeakPolarHBondContact O-CD1 3.37Å; V554-I557 VanDerWaalsContact O-CG1 3.25Å; V554-I557 WeakPolarHBondContact O-CG1 3.31Å; V554-I557 PolarHBondContact O-N 3Å; L555-I557 PolarHBondContact O-N 3.18Å; I557-T562 HydrophobicContact CG2-CG2 4.24Å; I557-R563 HydrophobicContact CB-CB 3.93Å; I557-R563 HydrophobicContact CB-CG 4.36Å; I557-R563 HydrophobicContact CG2-CB 4.06Å; I557-V566 HydrophobicContact CD1-CB 4.35Å; I557-V566 HydrophobicContact CD1-CG2 4.31Å; I557-F599 HydrophobicContact CD1-CE2 4.06Å; I557-F599 HydrophobicContact CD1-CZ 4.05Å; I557-F599 HydrophobicContact CG1-CE2 4.18Å; I557-L603 HydrophobicContact CD1-CD1 3.84Å; I557-L603 HydrophobicContact CG1-CD1 4.28Å | ||
| 558 | K | 87.3 | Confident | 89.7 | Confident | 209 Ų | 209 | 45.2 Ų | 45.2 | 91% | 0.909 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -71.9 | -38.2 | -176.6 | -66.5 | -173.9 | 179.7 | -178.9 | 0 | 113.2 | A556 G560 | A556-K558 PolarHBondContact O-N 3.31Å; K558-G560 PolarHBondContact O-N 2.92Å |
| 559 | D | 89.7 | Confident | 90.1 | Very high | 82 Ų | 82 | 40.2 Ų | 40.2 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -74.2 | 120.6 | 177.5 | 175.4 | 40.8 | 0 | 0 | 0 | 110.9 | L561 T562 R563 | D559-L561 PolarHBondContact O-N 2.98Å; D559-T562 WeakPolarHBondContact OD2-CB 3.34Å; D559-T562 PolarHBondContact OD2-N 3.5Å; D559-T562 PolarHBondContact OD2-OG1 3.41Å; D559-R563 VanDerWaalsContact O-CB 3.25Å; D559-R563 WeakPolarHBondContact O-CB 3.33Å; D559-R563 PolarHBondContact O-N 3.3Å |
| 560 | G | 87.3 | Confident | 90.5 | Very high | 21 Ų | 21 | 36.6 Ų | 36.6 | 22% | 0.216 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K558 D564 | K558-G560 PolarHBondContact O-N 2.92Å; G560-D564 WeakPolarHBondContact O-CB 3.34Å; G560-D564 VanDerWaalsContact O-CG 3.26Å; G560-D564 PolarHBondContact O-N 2.69Å; G560-D564 VanDerWaalsContact O-N 3.08Å; G560-D564 VanDerWaalsContact O-OD1 3.13Å |
| 561 | L | 90.8 | Very high | 90.8 | Very high | 47 Ų | 47 | 36.7 Ų | 36.7 | 25% | 0.246 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68 | -49 | -179.9 | 175.9 | 65.6 | 0 | 0 | 0 | 111.4 | L526 I527 D559 R563 D564 L565 | L526-L561 HydrophobicContact CB-CD1 4.03Å; I527-L561 HydrophobicContact CG1-CD1 4.14Å; I527-L561 HydrophobicContact CG1-CD2 3.85Å; D559-L561 PolarHBondContact O-N 2.98Å; L561-R563 VanDerWaalsContact C-N 3.34Å; L561-R563 PolarHBondContact O-N 3.36Å; L561-D564 PolarHBondContact O-N 3.15Å; L561-L565 VanDerWaalsContact O-CB 3.31Å; L561-L565 WeakPolarHBondContact O-CB 3.43Å; L561-L565 PolarHBondContact O-N 3.09Å |
| 562 | T | 90.9 | Very high | 91.1 | Very high | 30 Ų | 30 | 34.3 Ų | 34.3 | 18% | 0.184 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.6 | -40.8 | 178.8 | -60 | 0 | 0 | 0 | 0 | 111.5 | I557 D559 D564 L565 V566 F599 | I557-T562 HydrophobicContact CG2-CG2 4.24Å; D559-T562 WeakPolarHBondContact OD2-CB 3.34Å; D559-T562 PolarHBondContact OD2-N 3.5Å; D559-T562 PolarHBondContact OD2-OG1 3.41Å; T562-D564 PolarHBondContact O-N 3.18Å; T562-L565 PolarHBondContact O-N 2.79Å; T562-V566 HydrophobicContact CG2-CG2 4.35Å; T562-V566 WeakPolarHBondContact O-CB 3.34Å; T562-V566 VanDerWaalsContact O-CG2 3.31Å; T562-V566 WeakPolarHBondContact O-CG2 3.29Å; T562-V566 PolarHBondContact O-N 3.03Å; T562-F599 HydrophobicContact CG2-CD1 4.4Å; T562-F599 HydrophobicContact CG2-CE1 3.61Å; T562-F599 HydrophobicContact CG2-CZ 3.7Å |
| 563 | R | 92.9 | Very high | 91.5 | Very high | 59 Ų | 59 | 31.9 Ų | 31.9 | 22% | 0.223 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.8 | -50.5 | 174.9 | -179.1 | -175.9 | 64.5 | -152.7 | -7.2 | 111.5 | L555 I557 D559 L561 Y567 | L555-R563 HydrophobicContact CD2-CG 4.46Å; I557-R563 HydrophobicContact CB-CB 3.93Å; I557-R563 HydrophobicContact CB-CG 4.36Å; I557-R563 HydrophobicContact CG2-CB 4.06Å; D559-R563 VanDerWaalsContact O-CB 3.25Å; D559-R563 WeakPolarHBondContact O-CB 3.33Å; D559-R563 PolarHBondContact O-N 3.3Å; L561-R563 VanDerWaalsContact C-N 3.34Å; L561-R563 PolarHBondContact O-N 3.36Å; R563-Y567 WeakPolarHBondContact O-CB 3.49Å; R563-Y567 PolarHBondContact O-N 3.08Å |
| 564 | D | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.6 | -38.3 | -176.4 | -74 | 23.8 | 0 | 0 | 0 | 111.4 | H530 P536 F537 W538 G560 L561 T562 Y567 I568 | H530-D564 IonicContact CE1-OD2 3.51Å; H530-D564 IonicContact NE2-OD2 3.24Å; P536-D564 WeakPolarHBondContact CA-OD2 3.41Å; F537-D564 PolarHBondContact N-OD2 3.36Å; W538-D564 HydrophobicContact CB-CB 4.44Å; W538-D564 PolarHBondContact N-OD2 3.48Å; G560-D564 WeakPolarHBondContact O-CB 3.34Å; G560-D564 VanDerWaalsContact O-CG 3.26Å; G560-D564 PolarHBondContact O-N 2.69Å; G560-D564 VanDerWaalsContact O-N 3.08Å; G560-D564 VanDerWaalsContact O-OD1 3.13Å; L561-D564 PolarHBondContact O-N 3.15Å; T562-D564 PolarHBondContact O-N 3.18Å; D564-Y567 PolarHBondContact O-N 2.92Å; D564-I568 VanDerWaalsContact O-CB 3.32Å; D564-I568 WeakPolarHBondContact O-CB 3.46Å; D564-I568 WeakPolarHBondContact O-CD1 3.22Å; D564-I568 WeakPolarHBondContact O-CG1 3.33Å; D564-I568 PolarHBondContact O-N 3.42Å |
| 565 | L | 93.3 | Very high | 92.1 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.7 | -47.7 | 176 | -174.5 | 59.9 | 0 | 0 | 0 | 112 | I522 R523 L526 L561 T562 I568 L569 L595 | I522-L565 HydrophobicContact CG2-CD1 4.17Å; R523-L565 HydrophobicContact CB-CD1 4.06Å; R523-L565 HydrophobicContact CB-CD2 4.39Å; R523-L565 HydrophobicContact CG-CD1 4.45Å; R523-L565 HydrophobicContact CG-CD2 3.95Å; L526-L565 HydrophobicContact CD1-CB 4.24Å; L526-L565 HydrophobicContact CD1-CD1 3.78Å; L561-L565 VanDerWaalsContact O-CB 3.31Å; L561-L565 WeakPolarHBondContact O-CB 3.43Å; L561-L565 PolarHBondContact O-N 3.09Å; T562-L565 PolarHBondContact O-N 2.79Å; L565-I568 PolarHBondContact O-N 3.13Å; L565-L569 HydrophobicContact CD1-CD1 3.93Å; L565-L569 HydrophobicContact CD1-CG 4.08Å; L565-L569 HydrophobicContact CG-CD1 3.97Å; L565-L569 HydrophobicContact CG-CG 4.48Å; L565-L569 WeakPolarHBondContact O-CB 3.27Å; L565-L569 WeakPolarHBondContact O-CG 3.39Å; L565-L569 PolarHBondContact O-N 3.02Å; L565-L595 HydrophobicContact CB-CD2 4.3Å; L565-L595 HydrophobicContact CD2-CD1 4.46Å; L565-L595 HydrophobicContact CD2-CD2 3.57Å; L565-L595 HydrophobicContact CG-CD2 3.78Å |
| 566 | V | 93.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.2 | -45.2 | 177.1 | 171.3 | 0 | 0 | 0 | 0 | 111 | V554 I557 T562 M570 L595 V596 F599 | V554-V566 HydrophobicContact CG1-CG1 4.11Å; V554-V566 HydrophobicContact CG2-CG1 4.28Å; I557-V566 HydrophobicContact CD1-CB 4.35Å; I557-V566 HydrophobicContact CD1-CG2 4.31Å; T562-V566 HydrophobicContact CG2-CG2 4.35Å; T562-V566 WeakPolarHBondContact O-CB 3.34Å; T562-V566 VanDerWaalsContact O-CG2 3.31Å; T562-V566 WeakPolarHBondContact O-CG2 3.29Å; T562-V566 PolarHBondContact O-N 3.03Å; V566-M570 VanDerWaalsContact O-CB 3.29Å; V566-M570 WeakPolarHBondContact O-CB 3.42Å; V566-M570 PolarHBondContact O-N 3.48Å; V566-L595 HydrophobicContact CG2-CD2 3.73Å; V566-L595 HydrophobicContact CG2-CG 4.47Å; V566-V596 HydrophobicContact CG1-CG2 4.34Å; V566-V596 HydrophobicContact CG2-CG2 3.83Å; V566-F599 HydrophobicContact CG2-CZ 4.28Å |
| 567 | Y | 94.6 | Very high | 92.5 | Very high | 14 Ų | 14 | 30 Ų | 30 | 6% | 0.055 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.6 | -48.9 | 178.9 | -171.1 | -81.5 | 0 | 0 | 0 | 111.7 | W538 W544 V546 I551 V554 R563 D564 M570 A571 | W538-Y567 HydrophobicContact CB-CD1 3.7Å; W538-Y567 HydrophobicContact CB-CE1 4.34Å; W538-Y567 HydrophobicContact CB-CG 3.97Å; W538-Y567 HydrophobicContact CD2-CD1 4.45Å; W538-Y567 HydrophobicContact CD2-CE1 4.46Å; W538-Y567 HydrophobicContact CD2-CG 4.47Å; W538-Y567 AromaticContact CE3-CD1 3.99Å; W538-Y567 HydrophobicContact CE3-CD1 3.99Å; W538-Y567 HydrophobicContact CE3-CD2 4.1Å; W538-Y567 AromaticContact CE3-CE1 3.59Å; W538-Y567 HydrophobicContact CE3-CE1 3.59Å; W538-Y567 AromaticContact CE3-CE2 3.71Å; W538-Y567 HydrophobicContact CE3-CE2 3.71Å; W538-Y567 HydrophobicContact CE3-CG 4.23Å; W538-Y567 AromaticContact CE3-CZ 3.43Å; W538-Y567 VanDerWaalsContact CE3-CZ 3.43Å; W538-Y567 HydrophobicContact CG-CD1 4.41Å; W538-Y567 HydrophobicContact CG-CG 4.43Å; W538-Y567 HydrophobicContact CZ3-CE1 4.3Å; W538-Y567 AromaticContact CZ3-CE2 3.85Å; W538-Y567 HydrophobicContact CZ3-CE2 3.85Å; W538-Y567 AromaticContact CZ3-CZ 3.69Å; W544-Y567 HydrophobicContact CB-CE1 4.37Å; W544-Y567 PolarHBondContact O-OH 3.35Å; V546-Y567 HydrophobicContact CB-CD2 4.36Å; V546-Y567 HydrophobicContact CB-CE2 3.83Å; V546-Y567 HydrophobicContact CG2-CD1 4.2Å; V546-Y567 HydrophobicContact CG2-CD2 3.77Å; V546-Y567 HydrophobicContact CG2-CE1 4Å; V546-Y567 HydrophobicContact CG2-CE2 3.54Å; V546-Y567 HydrophobicContact CG2-CG 4.1Å; I551-Y567 HydrophobicContact CD1-CE2 4.41Å; I551-Y567 HydrophobicContact CG1-CE2 4.29Å; V554-Y567 HydrophobicContact CG1-CD2 4.11Å; R563-Y567 WeakPolarHBondContact O-CB 3.49Å; R563-Y567 PolarHBondContact O-N 3.08Å; D564-Y567 PolarHBondContact O-N 2.92Å; Y567-M570 PolarHBondContact O-N 3.45Å; Y567-A571 HydrophobicContact CD1-CB 4.46Å; Y567-A571 HydrophobicContact CE1-CB 4.34Å; Y567-A571 VanDerWaalsContact O-CB 3.26Å; Y567-A571 WeakPolarHBondContact O-CB 3.48Å; Y567-A571 PolarHBondContact O-N 2.88Å |
| 568 | I | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69 | -42.7 | -175.5 | -69.9 | 167.8 | 0 | 0 | 0 | 111.4 | L513 I522 L526 W538 W544 D564 L565 K572 | L513-I568 HydrophobicContact CD2-CD1 4.11Å; I522-I568 HydrophobicContact CG2-CG2 3.97Å; L526-I568 HydrophobicContact CD1-CD1 3.8Å; L526-I568 HydrophobicContact CD2-CD1 3.68Å; L526-I568 HydrophobicContact CG-CD1 4.29Å; W538-I568 HydrophobicContact CB-CG1 4.42Å; W544-I568 HydrophobicContact CE3-CG1 4.04Å; W544-I568 HydrophobicContact CH2-CG1 4.39Å; W544-I568 HydrophobicContact CH2-CG2 4.21Å; W544-I568 HydrophobicContact CZ3-CD1 3.95Å; W544-I568 HydrophobicContact CZ3-CG1 3.7Å; W544-I568 HydrophobicContact CZ3-CG2 4.31Å; D564-I568 VanDerWaalsContact O-CB 3.32Å; D564-I568 WeakPolarHBondContact O-CB 3.46Å; D564-I568 WeakPolarHBondContact O-CD1 3.22Å; D564-I568 WeakPolarHBondContact O-CG1 3.33Å; D564-I568 PolarHBondContact O-N 3.42Å; L565-I568 PolarHBondContact O-N 3.13Å; I568-K572 HydrophobicContact CG2-CD 3.7Å; I568-K572 HydrophobicContact CG2-CG 4.3Å; I568-K572 VanDerWaalsContact O-CB 3.28Å; I568-K572 WeakPolarHBondContact O-CB 3.46Å; I568-K572 VanDerWaalsContact O-CG 3.31Å; I568-K572 WeakPolarHBondContact O-CG 3.48Å; I568-K572 PolarHBondContact O-N 3.26Å |
| 569 | L | 94.9 | Very high | 92.8 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.8 | -45.3 | 176.6 | -69.4 | 174.8 | 0 | 0 | 0 | 111 | P519 I522 L565 A573 L588 C592 | P519-L569 HydrophobicContact CB-CD2 4Å; I522-L569 HydrophobicContact CD1-CD2 4.22Å; I522-L569 HydrophobicContact CG2-CD2 4.28Å; L565-L569 HydrophobicContact CD1-CD1 3.93Å; L565-L569 HydrophobicContact CD1-CG 4.08Å; L565-L569 HydrophobicContact CG-CD1 3.97Å; L565-L569 HydrophobicContact CG-CG 4.48Å; L565-L569 WeakPolarHBondContact O-CB 3.27Å; L565-L569 WeakPolarHBondContact O-CG 3.39Å; L565-L569 PolarHBondContact O-N 3.02Å; L569-A573 VanDerWaalsContact O-CB 3.24Å; L569-A573 WeakPolarHBondContact O-CB 3.5Å; L569-A573 PolarHBondContact O-N 2.93Å; L569-L588 HydrophobicContact CD2-CD2 3.53Å; L569-C592 HydrophobicContact CB-CB 3.93Å; L569-C592 HydrophobicContact CD1-CB 3.99Å |
| 570 | M | 94.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.4 | -48.7 | 177.9 | -176.4 | 177.3 | -76.8 | 0 | 0 | 111.8 | V546 Y550 V566 Y567 K572 A573 L574 V606 M607 | V546-M570 HydrophobicContact CG1-SD 3.69Å; Y550-M570 HydrophobicContact CD2-SD 4.34Å; V566-M570 VanDerWaalsContact O-CB 3.29Å; V566-M570 WeakPolarHBondContact O-CB 3.42Å; V566-M570 PolarHBondContact O-N 3.48Å; Y567-M570 PolarHBondContact O-N 3.45Å; M570-K572 PolarHBondContact O-N 3.27Å; M570-A573 PolarHBondContact O-N 3.06Å; M570-L574 HydrophobicContact CG-CD1 3.92Å; M570-L574 HydrophobicContact CG-CG 4.46Å; M570-L574 WeakPolarHBondContact O-CB 3.47Å; M570-L574 VanDerWaalsContact O-CG 3.27Å; M570-L574 WeakPolarHBondContact O-CG 3.44Å; M570-L574 PolarHBondContact O-N 3.44Å; M570-V606 HydrophobicContact CE-CG1 3.95Å; M570-M607 HydrophobicContact CE-SD 3.31Å; M570-M607 WeakPolarHBondContact CE-SD 3.45Å |
| 571 | A | 94.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | W544 V546 Y567 H575 | W544-A571 HydrophobicContact CB-CB 3.74Å; W544-A571 HydrophobicContact CG-CB 4.14Å; V546-A571 HydrophobicContact CG2-CB 3.89Å; Y567-A571 HydrophobicContact CD1-CB 4.46Å; Y567-A571 HydrophobicContact CE1-CB 4.34Å; Y567-A571 VanDerWaalsContact O-CB 3.26Å; Y567-A571 WeakPolarHBondContact O-CB 3.48Å; Y567-A571 PolarHBondContact O-N 2.88Å; A571-H575 WeakPolarHBondContact O-CB 3.43Å; A571-H575 PolarHBondContact O-N 3.2Å |
| 572 | K | 94.9 | Very high | 93.3 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.8 | -42.5 | 176.5 | -76 | 174.3 | 174.1 | -82.1 | 0 | 111.8 | L513 I514 A516 I522 W544 I568 M570 H575 C576 L588 | L513-K572 VanDerWaalsContact O-CE 3.25Å; L513-K572 WeakPolarHBondContact O-CE 3.31Å; L513-K572 PolarHBondContact O-NZ 3.47Å; I514-K572 PolarHBondContact O-NZ 2.99Å; A516-K572 PolarHBondContact O-NZ 3.32Å; I522-K572 HydrophobicContact CD1-CD 3.63Å; I522-K572 HydrophobicContact CG1-CD 4.49Å; W544-K572 VanDerWaalsContact CZ2-CE 3.44Å; W544-K572 HydrophobicContact CZ2-CG 4.43Å; I568-K572 HydrophobicContact CG2-CD 3.7Å; I568-K572 HydrophobicContact CG2-CG 4.3Å; I568-K572 VanDerWaalsContact O-CB 3.28Å; I568-K572 WeakPolarHBondContact O-CB 3.46Å; I568-K572 VanDerWaalsContact O-CG 3.31Å; I568-K572 WeakPolarHBondContact O-CG 3.48Å; I568-K572 PolarHBondContact O-N 3.26Å; M570-K572 PolarHBondContact O-N 3.27Å; K572-H575 WeakPolarHBondContact O-CB 3.15Å; K572-H575 PolarHBondContact O-N 3.37Å; K572-C576 WeakPolarHBondContact O-CB 3.49Å; K572-C576 PolarHBondContact O-N 3.37Å; K572-C576 PolarHBondContact O-SG 3.27Å; K572-L588 HydrophobicContact CB-CD1 3.88Å |
| 573 | A | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.6 | -43.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L569 M570 H575 C576 I577 L588 F589 | L569-A573 VanDerWaalsContact O-CB 3.24Å; L569-A573 WeakPolarHBondContact O-CB 3.5Å; L569-A573 PolarHBondContact O-N 2.93Å; M570-A573 PolarHBondContact O-N 3.06Å; A573-H575 VanDerWaalsContact C-N 3.3Å; A573-H575 PolarHBondContact O-N 3.22Å; A573-C576 WeakPolarHBondContact O-CB 3.43Å; A573-C576 PolarHBondContact O-N 3.25Å; A573-I577 VanDerWaalsContact O-CG1 3.28Å; A573-I577 WeakPolarHBondContact O-CG1 3.43Å; A573-I577 PolarHBondContact O-N 3.27Å; A573-L588 HydrophobicContact CB-CB 3.77Å; A573-L588 HydrophobicContact CB-CD1 4.29Å; A573-F589 HydrophobicContact CB-CD1 3.18Å; A573-F589 HydrophobicContact CB-CD2 4.46Å; A573-F589 HydrophobicContact CB-CE1 3.16Å; A573-F589 HydrophobicContact CB-CE2 4.41Å; A573-F589 HydrophobicContact CB-CG 3.9Å; A573-F589 HydrophobicContact CB-CZ 3.81Å |
| 574 | L | 93.3 | Very high | 93.5 | Very high | 26 Ų | 26 | 31.1 Ų | 31.1 | 14% | 0.136 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62 | -37.8 | 173.9 | -71.7 | 171.2 | 0 | 0 | 0 | 112.2 | P547 M570 I577 S578 F589 E610 | P547-L574 VanDerWaalsContact CD-CD1 3.47Å; P547-L574 HydrophobicContact CG-CD1 4.14Å; M570-L574 HydrophobicContact CG-CD1 3.92Å; M570-L574 HydrophobicContact CG-CG 4.46Å; M570-L574 WeakPolarHBondContact O-CB 3.47Å; M570-L574 VanDerWaalsContact O-CG 3.27Å; M570-L574 WeakPolarHBondContact O-CG 3.44Å; M570-L574 PolarHBondContact O-N 3.44Å; L574-I577 PolarHBondContact O-N 3.41Å; L574-S578 PolarHBondContact O-N 3.18Å; L574-S578 VanDerWaalsContact O-N 3.08Å; L574-F589 HydrophobicContact CD2-CZ 4.02Å; L574-F589 HydrophobicContact CG-CZ 4.18Å; L574-E610 WeakPolarHBondContact CD2-OE2 3.42Å |
| 575 | H | 93.1 | Very high | 93.6 | Very high | 87 Ų | 87 | 31.1 Ų | 31.1 | 40% | 0.403 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.2 | -45 | 172.6 | -174.9 | 69.9 | 0 | 0 | 0 | 112 | A571 K572 A573 I577 S578 I579 | A571-H575 WeakPolarHBondContact O-CB 3.43Å; A571-H575 PolarHBondContact O-N 3.2Å; K572-H575 WeakPolarHBondContact O-CB 3.15Å; K572-H575 PolarHBondContact O-N 3.37Å; A573-H575 VanDerWaalsContact C-N 3.3Å; A573-H575 PolarHBondContact O-N 3.22Å; H575-I577 VanDerWaalsContact C-N 3.28Å; H575-I577 PolarHBondContact O-N 3.05Å; H575-S578 PolarHBondContact O-N 3.13Å; H575-S578 VanDerWaalsContact O-N 3.16Å; H575-S578 PolarHBondContact O-OG 3.43Å; H575-I579 PolarHBondContact O-N 3.29Å |
| 576 | C | 93.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.2 | -40.5 | 174 | -72.6 | 0 | 0 | 0 | 0 | 111.6 | K572 A573 S578 I579 K580 D581 A585 | K572-C576 WeakPolarHBondContact O-CB 3.49Å; K572-C576 PolarHBondContact O-N 3.37Å; K572-C576 PolarHBondContact O-SG 3.27Å; A573-C576 WeakPolarHBondContact O-CB 3.43Å; A573-C576 PolarHBondContact O-N 3.25Å; C576-S578 PolarHBondContact O-N 2.99Å; C576-I579 VanDerWaalsContact O-CG1 3.24Å; C576-I579 WeakPolarHBondContact O-CG1 3.47Å; C576-I579 PolarHBondContact O-N 3.02Å; C576-K580 PolarHBondContact O-N 3.41Å; C576-K580 VanDerWaalsContact O-N 3.17Å; C576-D581 HydrophobicContact CB-CB 4.44Å; C576-D581 WeakPolarHBondContact CB-O 3.35Å; C576-D581 PolarHBondContact O-N 2.92Å; C576-A585 HydrophobicContact CB-CB 3.76Å |
| 577 | I | 92.3 | Very high | 93.8 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 5% | 0.046 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.5 | -41.4 | 175.6 | -70 | 164.5 | 0 | 0 | 0 | 111.7 | A573 L574 H575 I579 K580 A585 F589 L614 | A573-I577 VanDerWaalsContact O-CG1 3.28Å; A573-I577 WeakPolarHBondContact O-CG1 3.43Å; A573-I577 PolarHBondContact O-N 3.27Å; L574-I577 PolarHBondContact O-N 3.41Å; H575-I577 VanDerWaalsContact C-N 3.28Å; H575-I577 PolarHBondContact O-N 3.05Å; I577-I579 VanDerWaalsContact C-N 3.31Å; I577-I579 PolarHBondContact O-N 3.22Å; I577-K580 PolarHBondContact O-N 3.44Å; I577-K580 VanDerWaalsContact O-N 3.11Å; I577-A585 HydrophobicContact CG1-CB 3.87Å; I577-F589 HydrophobicContact CD1-CD2 4.32Å; I577-F589 HydrophobicContact CD1-CE2 3.39Å; I577-F589 HydrophobicContact CD1-CZ 3.76Å; I577-L614 HydrophobicContact CD1-CB 4.03Å; I577-L614 HydrophobicContact CD1-CD1 3.85Å; I577-L614 HydrophobicContact CD1-CG 4.46Å; I577-L614 HydrophobicContact CG1-CD1 3.57Å |
| 578 | S | 91.1 | Very high | 93.9 | Very high | 84 Ų | 84 | 40.9 Ų | 40.9 | 59% | 0.587 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -68.5 | -30 | -178.3 | 72.9 | 0 | 0 | 0 | 0 | 113 | L574 H575 C576 K580 | L574-S578 PolarHBondContact O-N 3.18Å; L574-S578 VanDerWaalsContact O-N 3.08Å; H575-S578 PolarHBondContact O-N 3.13Å; H575-S578 VanDerWaalsContact O-N 3.16Å; H575-S578 PolarHBondContact O-OG 3.43Å; C576-S578 PolarHBondContact O-N 2.99Å; S578-K580 VanDerWaalsContact C-N 3.33Å |
| 579 | I | 92.4 | Very high | 93.9 | Very high | 100 Ų | 100 | 41 Ų | 41 | 51% | 0.513 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 5.7 | 173 | 67.8 | 175 | 0 | 0 | 0 | 113.6 | H575 C576 I577 D581 | H575-I579 PolarHBondContact O-N 3.29Å; C576-I579 VanDerWaalsContact O-CG1 3.24Å; C576-I579 WeakPolarHBondContact O-CG1 3.47Å; C576-I579 PolarHBondContact O-N 3.02Å; I577-I579 VanDerWaalsContact C-N 3.31Å; I577-I579 PolarHBondContact O-N 3.22Å; I579-D581 VanDerWaalsContact C-N 3.31Å; I579-D581 HydrophobicContact CD1-CB 4.14Å; I579-D581 HydrophobicContact CG1-CB 3.99Å; I579-D581 PolarHBondContact O-N 3.31Å |
| 580 | K | 92.3 | Very high | 94 | Very high | 150 Ų | 150 | 42.9 Ų | 42.9 | 65% | 0.652 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 26.1 | -178.3 | -52.8 | -178.4 | 177.1 | -175.6 | 0 | 115.2 | C576 I577 S578 F582 | C576-K580 PolarHBondContact O-N 3.41Å; C576-K580 VanDerWaalsContact O-N 3.17Å; I577-K580 PolarHBondContact O-N 3.44Å; I577-K580 VanDerWaalsContact O-N 3.11Å; S578-K580 VanDerWaalsContact C-N 3.33Å; K580-F582 HydrophobicContact CB-CE2 3.93Å; K580-F582 HydrophobicContact CB-CZ 3.91Å; K580-F582 HydrophobicContact CG-CZ 4.27Å; K580-F582 WeakPolarHBondContact O-CD2 3.39Å; K580-F582 WeakPolarHBondContact O-CE2 3.27Å; K580-F582 PolarHBondContact O-N 3.1Å |
| 581 | D | 92.8 | Very high | 94 | Very high | 64 Ų | 64 | 44 Ų | 44 | 34% | 0.342 | 24% | 0.236 | S | C | . | . | trans | -92.9 | 79.1 | 173.7 | -168.4 | 6.5 | 0 | 0 | 0 | 111 | C576 I579 G583 P584 A585 | C576-D581 HydrophobicContact CB-CB 4.44Å; C576-D581 WeakPolarHBondContact CB-O 3.35Å; C576-D581 PolarHBondContact O-N 2.92Å; I579-D581 VanDerWaalsContact C-N 3.31Å; I579-D581 HydrophobicContact CD1-CB 4.14Å; I579-D581 HydrophobicContact CG1-CB 3.99Å; I579-D581 PolarHBondContact O-N 3.31Å; D581-G583 VanDerWaalsContact C-N 3.35Å; D581-G583 PolarHBondContact O-N 3.2Å; D581-P584 VanDerWaalsContact CG-CD 3.47Å; D581-P584 WeakPolarHBondContact OD1-CD 3.41Å; D581-P584 WeakPolarHBondContact OD2-CG 3.48Å; D581-A585 WeakPolarHBondContact O-CB 3.29Å | ||
| 582 | F | 93.4 | Very high | 94 | Very high | 36 Ų | 36 | 44 Ų | 44 | 16% | 0.158 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -74.7 | -21.1 | -170.4 | -53.6 | -67.9 | 0 | 0 | 0 | 114.3 | K580 R586 L614 R617 A618 A621 | K580-F582 HydrophobicContact CB-CE2 3.93Å; K580-F582 HydrophobicContact CB-CZ 3.91Å; K580-F582 HydrophobicContact CG-CZ 4.27Å; K580-F582 WeakPolarHBondContact O-CD2 3.39Å; K580-F582 WeakPolarHBondContact O-CE2 3.27Å; K580-F582 PolarHBondContact O-N 3.1Å; F582-R586 WeakPolarHBondContact O-CB 3.39Å; F582-R586 PolarHBondContact O-N 3.06Å; F582-R586 VanDerWaalsContact O-N 3.07Å; F582-L614 HydrophobicContact CB-CD1 4.31Å; F582-L614 HydrophobicContact CD1-CD1 3.8Å; F582-R617 HydrophobicContact CE1-CB 4.1Å; F582-A618 HydrophobicContact CB-CB 4Å; F582-A618 HydrophobicContact CD1-CB 3.91Å; F582-A618 HydrophobicContact CD2-CB 4.15Å; F582-A618 HydrophobicContact CE1-CB 4.43Å; F582-A618 HydrophobicContact CG-CB 3.74Å; F582-A621 HydrophobicContact CE2-CB 3.46Å; F582-A621 VanDerWaalsContact CE2-CB 3.46Å; F582-A621 HydrophobicContact CZ-CB 3.51Å |
| 583 | G | 93.5 | Very high | 94 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.3 | -61.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D581 A585 R586 Q587 | D581-G583 VanDerWaalsContact C-N 3.35Å; D581-G583 PolarHBondContact O-N 3.2Å; G583-A585 VanDerWaalsContact C-N 3.31Å; G583-A585 PolarHBondContact O-N 3.39Å; G583-R586 PolarHBondContact O-N 3.18Å; G583-Q587 PolarHBondContact O-N 3.31Å |
| 584 | P | 93.7 | Very high | 93.9 | Very high | 26 Ų | 26 | 52 Ų | 52 | 17% | 0.169 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.5 | -36.8 | 174.2 | -24.1 | 36.9 | 0 | 0 | 0 | 112.7 | L517 D581 R586 Q587 L588 | L517-P584 HydrophobicContact CB-CB 4.38Å; D581-P584 VanDerWaalsContact CG-CD 3.47Å; D581-P584 WeakPolarHBondContact OD1-CD 3.41Å; D581-P584 WeakPolarHBondContact OD2-CG 3.48Å; P584-R586 VanDerWaalsContact C-N 3.29Å; P584-R586 PolarHBondContact O-N 2.84Å; P584-Q587 PolarHBondContact O-N 2.81Å; P584-Q587 VanDerWaalsContact O-N 3.15Å; P584-L588 WeakPolarHBondContact O-CB 3.24Å; P584-L588 WeakPolarHBondContact O-CG 3.2Å; P584-L588 PolarHBondContact O-N 3.33Å |
| 585 | A | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.6 | -43.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C576 I577 D581 G583 L588 F589 L614 | C576-A585 HydrophobicContact CB-CB 3.76Å; I577-A585 HydrophobicContact CG1-CB 3.87Å; D581-A585 WeakPolarHBondContact O-CB 3.29Å; G583-A585 VanDerWaalsContact C-N 3.31Å; G583-A585 PolarHBondContact O-N 3.39Å; A585-L588 PolarHBondContact O-N 3.46Å; A585-F589 WeakPolarHBondContact O-CB 3.39Å; A585-F589 PolarHBondContact O-N 3.17Å; A585-L614 HydrophobicContact CB-CD1 3.8Å; A585-L614 HydrophobicContact CB-CD2 4.38Å |
| 586 | R | 95.2 | Very high | 93.8 | Very high | 114 Ų | 114 | 48 Ų | 48 | 43% | 0.43 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 177.2 | -169.4 | 175.7 | -69.2 | 110.6 | -1.6 | 112.2 | F582 G583 P584 A590 L614 D615 | F582-R586 WeakPolarHBondContact O-CB 3.39Å; F582-R586 PolarHBondContact O-N 3.06Å; F582-R586 VanDerWaalsContact O-N 3.07Å; G583-R586 PolarHBondContact O-N 3.18Å; P584-R586 VanDerWaalsContact C-N 3.29Å; P584-R586 PolarHBondContact O-N 2.84Å; R586-A590 WeakPolarHBondContact O-CB 3.43Å; R586-A590 PolarHBondContact O-N 3.01Å; R586-L614 HydrophobicContact CB-CD2 3.94Å; R586-L614 HydrophobicContact CG-CD2 4.39Å; R586-D615 IonicContact NE-OD1 3.98Å; R586-D615 IonicContact NH2-OD1 3.49Å |
| 587 | Q | 95.6 | Very high | 93.7 | Very high | 115 Ų | 115 | 51.4 Ų | 51.4 | 54% | 0.537 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.4 | -44 | 177.6 | -65.2 | 176.5 | 0.5 | 0 | 0 | 111.9 | P519 G583 P584 A590 A591 | P519-Q587 HydrophobicContact CG-CB 4.26Å; G583-Q587 PolarHBondContact O-N 3.31Å; P584-Q587 PolarHBondContact O-N 2.81Å; P584-Q587 VanDerWaalsContact O-N 3.15Å; Q587-A590 PolarHBondContact O-N 2.7Å; Q587-A591 WeakPolarHBondContact O-CB 3.25Å; Q587-A591 PolarHBondContact O-N 3.32Å |
| 588 | L | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 177.9 | -70.8 | 165.3 | 0 | 0 | 0 | 112.1 | L517 P519 I522 L569 K572 A573 P584 A585 C592 | L517-L588 WeakPolarHBondContact O-CD2 3.47Å; P519-L588 HydrophobicContact CB-CD2 4.45Å; P519-L588 HydrophobicContact CG-CD2 4Å; P519-L588 HydrophobicContact CG-CG 4.39Å; I522-L588 HydrophobicContact CD1-CD2 3.59Å; L569-L588 HydrophobicContact CD2-CD2 3.53Å; K572-L588 HydrophobicContact CB-CD1 3.88Å; A573-L588 HydrophobicContact CB-CB 3.77Å; A573-L588 HydrophobicContact CB-CD1 4.29Å; P584-L588 WeakPolarHBondContact O-CB 3.24Å; P584-L588 WeakPolarHBondContact O-CG 3.2Å; P584-L588 PolarHBondContact O-N 3.33Å; A585-L588 PolarHBondContact O-N 3.46Å; L588-C592 WeakPolarHBondContact O-CB 3.49Å; L588-C592 PolarHBondContact O-N 2.95Å |
| 589 | F | 96.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.4 | -39.2 | 175.4 | -81.5 | -10.8 | 0 | 0 | 0 | 113 | A573 L574 I577 A585 C592 L593 M607 E610 L614 | A573-F589 HydrophobicContact CB-CD1 3.18Å; A573-F589 HydrophobicContact CB-CD2 4.46Å; A573-F589 HydrophobicContact CB-CE1 3.16Å; A573-F589 HydrophobicContact CB-CE2 4.41Å; A573-F589 HydrophobicContact CB-CG 3.9Å; A573-F589 HydrophobicContact CB-CZ 3.81Å; L574-F589 HydrophobicContact CD2-CZ 4.02Å; L574-F589 HydrophobicContact CG-CZ 4.18Å; I577-F589 HydrophobicContact CD1-CD2 4.32Å; I577-F589 HydrophobicContact CD1-CE2 3.39Å; I577-F589 HydrophobicContact CD1-CZ 3.76Å; A585-F589 WeakPolarHBondContact O-CB 3.39Å; A585-F589 PolarHBondContact O-N 3.17Å; F589-C592 PolarHBondContact O-N 2.93Å; F589-L593 VanDerWaalsContact O-CB 3.28Å; F589-L593 WeakPolarHBondContact O-CB 3.34Å; F589-L593 PolarHBondContact O-N 3.47Å; F589-M607 HydrophobicContact CB-CE 4.03Å; F589-M607 HydrophobicContact CD1-CE 3.44Å; F589-M607 VanDerWaalsContact CD1-CE 3.44Å; F589-M607 HydrophobicContact CE1-CE 4.05Å; F589-M607 HydrophobicContact CG-CE 3.88Å; F589-E610 HydrophobicContact CD2-CB 4.43Å; F589-E610 HydrophobicContact CE1-CB 4.45Å; F589-E610 HydrophobicContact CE2-CB 3.73Å; F589-E610 HydrophobicContact CZ-CB 3.75Å; F589-E610 HydrophobicContact CZ-CG 4.42Å; F589-L614 HydrophobicContact CD2-CB 4.17Å; F589-L614 HydrophobicContact CD2-CD2 3.83Å; F589-L614 HydrophobicContact CE2-CB 4.18Å |
| 590 | A | 95.6 | Very high | 92.9 | Very high | 44 Ų | 44 | 55.4 Ų | 55.4 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.7 | -48.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R586 Q587 C592 L593 E594 | R586-A590 WeakPolarHBondContact O-CB 3.43Å; R586-A590 PolarHBondContact O-N 3.01Å; Q587-A590 PolarHBondContact O-N 2.7Å; A590-C592 VanDerWaalsContact C-N 3.32Å; A590-C592 PolarHBondContact O-N 3.43Å; A590-L593 PolarHBondContact O-N 3.41Å; A590-E594 WeakPolarHBondContact O-CG 3.48Å; A590-E594 PolarHBondContact O-N 3.46Å |
| 591 | A | 94.6 | Very high | 92.6 | Very high | 25 Ų | 25 | 53.5 Ų | 53.5 | 21% | 0.207 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P519 Q587 L595 | P519-A591 HydrophobicContact CB-CB 3.43Å; P519-A591 VanDerWaalsContact CB-CB 3.43Å; P519-A591 HydrophobicContact CG-CB 3.81Å; Q587-A591 WeakPolarHBondContact O-CB 3.25Å; Q587-A591 PolarHBondContact O-N 3.32Å; A591-L595 WeakPolarHBondContact O-CB 3.33Å; A591-L595 PolarHBondContact O-N 3.26Å; A591-L595 VanDerWaalsContact O-N 3.12Å |
| 592 | C | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.3 | -37.1 | 175.8 | -169.5 | 0 | 0 | 0 | 0 | 112.1 | L569 L588 F589 A590 V596 M607 | L569-C592 HydrophobicContact CB-CB 3.93Å; L569-C592 HydrophobicContact CD1-CB 3.99Å; L588-C592 WeakPolarHBondContact O-CB 3.49Å; L588-C592 PolarHBondContact O-N 2.95Å; F589-C592 PolarHBondContact O-N 2.93Å; A590-C592 VanDerWaalsContact C-N 3.32Å; A590-C592 PolarHBondContact O-N 3.43Å; C592-V596 WeakPolarHBondContact O-CB 3.45Å; C592-V596 WeakPolarHBondContact O-CG2 3.33Å; C592-V596 PolarHBondContact O-N 2.94Å; C592-M607 HydrophobicContact CB-CE 3.66Å; C592-M607 HydrophobicContact CB-SD 4.26Å; C592-M607 VanDerWaalsContact SG-SD 3.62Å |
| 593 | L | 94.8 | Very high | 92.1 | Very high | 35 Ų | 35 | 52.8 Ų | 52.8 | 18% | 0.183 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 176.4 | 177.2 | 63.5 | 0 | 0 | 0 | 111.4 | F589 A590 V596 T597 R604 M607 L608 | F589-L593 VanDerWaalsContact O-CB 3.28Å; F589-L593 WeakPolarHBondContact O-CB 3.34Å; F589-L593 PolarHBondContact O-N 3.47Å; A590-L593 PolarHBondContact O-N 3.41Å; L593-V596 PolarHBondContact O-N 3.02Å; L593-T597 WeakPolarHBondContact O-CB 3.42Å; L593-T597 PolarHBondContact O-N 2.68Å; L593-T597 PolarHBondContact O-OG1 3.28Å; L593-R604 HydrophobicContact CD1-CG 3.93Å; L593-M607 HydrophobicContact CB-CB 4.19Å; L593-M607 HydrophobicContact CD1-CB 3.74Å; L593-L608 HydrophobicContact CD1-CD2 4.09Å; L593-L608 HydrophobicContact CD1-CG 4.05Å; L593-L608 HydrophobicContact CD2-CD2 3.84Å |
| 594 | E | 93.6 | Very high | 92 | Very high | 139 Ų | 139 | 56.1 Ų | 56.1 | 65% | 0.65 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -57.1 | -51.4 | 174.1 | -74.9 | 176.7 | -179.6 | 0 | 0 | 110.8 | A590 V596 T597 | A590-E594 WeakPolarHBondContact O-CG 3.48Å; A590-E594 PolarHBondContact O-N 3.46Å; E594-V596 PolarHBondContact O-N 3.18Å; E594-T597 PolarHBondContact O-N 3.26Å |
| 595 | L | 91.6 | Very high | 91.8 | Very high | 29 Ų | 29 | 56.6 Ų | 56.6 | 15% | 0.152 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.3 | -45.6 | 179.3 | 177.4 | 65.3 | 0 | 0 | 0 | 112.9 | L565 V566 A591 T597 F599 | L565-L595 HydrophobicContact CB-CD2 4.3Å; L565-L595 HydrophobicContact CD2-CD1 4.46Å; L565-L595 HydrophobicContact CD2-CD2 3.57Å; L565-L595 HydrophobicContact CG-CD2 3.78Å; V566-L595 HydrophobicContact CG2-CD2 3.73Å; V566-L595 HydrophobicContact CG2-CG 4.47Å; A591-L595 WeakPolarHBondContact O-CB 3.33Å; A591-L595 PolarHBondContact O-N 3.26Å; A591-L595 VanDerWaalsContact O-N 3.12Å; L595-T597 VanDerWaalsContact C-N 3.35Å; L595-F599 HydrophobicContact CG-CE1 4.39Å; L595-F599 WeakPolarHBondContact O-CD1 3.45Å; L595-F599 WeakPolarHBondContact O-CE1 3.29Å |
| 596 | V | 92.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -76 | -25.8 | -174.1 | 169.4 | 0 | 0 | 0 | 0 | 112.7 | V566 C592 L593 E594 E598 F599 S600 L603 R604 | V566-V596 HydrophobicContact CG1-CG2 4.34Å; V566-V596 HydrophobicContact CG2-CG2 3.83Å; C592-V596 WeakPolarHBondContact O-CB 3.45Å; C592-V596 WeakPolarHBondContact O-CG2 3.33Å; C592-V596 PolarHBondContact O-N 2.94Å; L593-V596 PolarHBondContact O-N 3.02Å; E594-V596 PolarHBondContact O-N 3.18Å; V596-E598 PolarHBondContact O-N 2.94Å; V596-E598 VanDerWaalsContact O-N 3.16Å; V596-F599 HydrophobicContact CB-CE1 4.45Å; V596-F599 HydrophobicContact CG2-CE1 4.25Å; V596-F599 HydrophobicContact CG2-CZ 4.13Å; V596-F599 PolarHBondContact O-N 3.15Å; V596-S600 WeakPolarHBondContact CG1-O 3.46Å; V596-S600 PolarHBondContact O-N 2.86Å; V596-L603 HydrophobicContact CB-CB 4.44Å; V596-L603 HydrophobicContact CG1-CB 3.22Å; V596-L603 HydrophobicContact CG2-CB 4.36Å; V596-R604 HydrophobicContact CG1-CB 4.2Å |
| 597 | T | 91.1 | Very high | 91.4 | Very high | 74 Ų | 74 | 51.2 Ų | 51.2 | 45% | 0.454 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.9 | -26 | 179.4 | -65.2 | 0 | 0 | 0 | 0 | 112.1 | L593 E594 L595 | L593-T597 WeakPolarHBondContact O-CB 3.42Å; L593-T597 PolarHBondContact O-N 2.68Å; L593-T597 PolarHBondContact O-OG1 3.28Å; E594-T597 PolarHBondContact O-N 3.26Å; L595-T597 VanDerWaalsContact C-N 3.35Å |
| 598 | E | 85 | Confident | 91.2 | Very high | 166 Ų | 166 | 48.3 Ų | 48.3 | 78% | 0.776 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -26.3 | -178.4 | -61.8 | -178.9 | 174.8 | 0 | 0 | 114 | V596 | V596-E598 PolarHBondContact O-N 2.94Å; V596-E598 VanDerWaalsContact O-N 3.16Å |
| 599 | F | 86.1 | Confident | 91 | Very high | 88 Ų | 88 | 48.5 Ų | 48.5 | 39% | 0.386 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.5 | -16.4 | -168.3 | 73.5 | -94.2 | 0 | 0 | 0 | 116.5 | I557 T562 V566 L595 V596 L603 | I557-F599 HydrophobicContact CD1-CE2 4.06Å; I557-F599 HydrophobicContact CD1-CZ 4.05Å; I557-F599 HydrophobicContact CG1-CE2 4.18Å; T562-F599 HydrophobicContact CG2-CD1 4.4Å; T562-F599 HydrophobicContact CG2-CE1 3.61Å; T562-F599 HydrophobicContact CG2-CZ 3.7Å; V566-F599 HydrophobicContact CG2-CZ 4.28Å; L595-F599 HydrophobicContact CG-CE1 4.39Å; L595-F599 WeakPolarHBondContact O-CD1 3.45Å; L595-F599 WeakPolarHBondContact O-CE1 3.29Å; V596-F599 HydrophobicContact CB-CE1 4.45Å; V596-F599 HydrophobicContact CG2-CE1 4.25Å; V596-F599 HydrophobicContact CG2-CZ 4.13Å; V596-F599 PolarHBondContact O-N 3.15Å; F599-L603 HydrophobicContact CE2-CD1 4.11Å; F599-L603 HydrophobicContact CZ-CD1 4.36Å |
| 600 | S | 87.4 | Confident | 90.8 | Very high | 24 Ų | 24 | 48.4 Ų | 48.4 | 17% | 0.168 | 25% | 0.252 | C | S | . | . | trans | -144.6 | 106.7 | -177 | -175.3 | 0 | 0 | 0 | 0 | 113.6 | V596 K602 L603 R604 | V596-S600 WeakPolarHBondContact CG1-O 3.46Å; V596-S600 PolarHBondContact O-N 2.86Å; S600-K602 VanDerWaalsContact C-N 3.25Å; S600-K602 PolarHBondContact O-N 2.79Å; S600-L603 PolarHBondContact O-N 3.2Å; S600-L603 PolarHBondContact OG-N 3.14Å; S600-R604 WeakPolarHBondContact O-CB 3.44Å; S600-R604 PolarHBondContact O-N 3.42Å | ||
| 601 | P | 86.7 | Confident | 90.7 | Very high | 110 Ų | 110 | 47.5 Ų | 47.5 | 71% | 0.714 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -65.9 | -29.2 | 175.6 | 26.4 | -33.6 | 0 | 0 | 0 | 112.4 | R604 Q605 | P601-R604 PolarHBondContact O-N 3.44Å; P601-Q605 PolarHBondContact O-N 3.35Å; P601-Q605 VanDerWaalsContact O-N 3.07Å |
| 602 | K | 87.4 | Confident | 90.6 | Very high | 81 Ų | 81 | 46.7 Ų | 46.7 | 35% | 0.352 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.3 | -51.1 | 177.5 | 179.9 | 171.5 | 176 | 155.9 | 0 | 111.6 | T553 S600 R604 Q605 V606 D647 V648 | T553-K602 HydrophobicContact CG2-CD 3.95Å; T553-K602 HydrophobicContact CG2-CG 4.19Å; S600-K602 VanDerWaalsContact C-N 3.25Å; S600-K602 PolarHBondContact O-N 2.79Å; K602-R604 VanDerWaalsContact C-N 3.29Å; K602-R604 PolarHBondContact O-N 2.99Å; K602-Q605 PolarHBondContact O-N 3Å; K602-V606 PolarHBondContact O-N 3.39Å; K602-V606 VanDerWaalsContact O-N 3.16Å; K602-D647 WeakPolarHBondContact CD-O 3.34Å; K602-D647 WeakPolarHBondContact CE-O 3.11Å; K602-D647 PolarHBondContact NZ-O 3.29Å; K602-V648 HydrophobicContact CG-CG2 4.44Å |
| 603 | L | 88.2 | Confident | 90.5 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.6 | -31.9 | 176.7 | -72.9 | 171.7 | 0 | 0 | 0 | 111.1 | T553 V554 I557 V596 F599 S600 Q605 V606 M607 | T553-L603 HydrophobicContact CG2-CD2 3.6Å; T553-L603 HydrophobicContact CG2-CG 3.82Å; V554-L603 HydrophobicContact CG2-CD2 3.97Å; I557-L603 HydrophobicContact CD1-CD1 3.84Å; I557-L603 HydrophobicContact CG1-CD1 4.28Å; V596-L603 HydrophobicContact CB-CB 4.44Å; V596-L603 HydrophobicContact CG1-CB 3.22Å; V596-L603 HydrophobicContact CG2-CB 4.36Å; F599-L603 HydrophobicContact CE2-CD1 4.11Å; F599-L603 HydrophobicContact CZ-CD1 4.36Å; S600-L603 PolarHBondContact O-N 3.2Å; S600-L603 PolarHBondContact OG-N 3.14Å; L603-Q605 VanDerWaalsContact C-N 3.3Å; L603-Q605 PolarHBondContact O-N 3.49Å; L603-V606 WeakPolarHBondContact O-CB 3.3Å; L603-V606 PolarHBondContact O-N 3.49Å; L603-M607 WeakPolarHBondContact O-CG 3.32Å; L603-M607 PolarHBondContact O-N 3.38Å |
| 604 | R | 91.1 | Very high | 90.5 | Very high | 104 Ų | 104 | 45.1 Ų | 45.1 | 39% | 0.392 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57.8 | -45.9 | 173.9 | 179.9 | -176.7 | 175.6 | -87.7 | -0.3 | 110.5 | L593 V596 S600 P601 K602 M607 L608 | L593-R604 HydrophobicContact CD1-CG 3.93Å; V596-R604 HydrophobicContact CG1-CB 4.2Å; S600-R604 WeakPolarHBondContact O-CB 3.44Å; S600-R604 PolarHBondContact O-N 3.42Å; P601-R604 PolarHBondContact O-N 3.44Å; K602-R604 VanDerWaalsContact C-N 3.29Å; K602-R604 PolarHBondContact O-N 2.99Å; R604-M607 PolarHBondContact O-N 3.45Å; R604-L608 HydrophobicContact CG-CD1 4.46Å; R604-L608 WeakPolarHBondContact O-CG 3.5Å; R604-L608 PolarHBondContact O-N 3.38Å |
| 605 | Q | 89.4 | Confident | 90.5 | Very high | 36 Ų | 36 | 39.8 Ų | 39.8 | 17% | 0.168 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.8 | -38.7 | 176.8 | -168.3 | 59.9 | 50 | 0 | 0 | 112.6 | P601 K602 L603 M607 L608 N609 M643 I645 V648 | P601-Q605 PolarHBondContact O-N 3.35Å; P601-Q605 VanDerWaalsContact O-N 3.07Å; K602-Q605 PolarHBondContact O-N 3Å; L603-Q605 VanDerWaalsContact C-N 3.3Å; L603-Q605 PolarHBondContact O-N 3.49Å; Q605-M607 VanDerWaalsContact C-N 3.32Å; Q605-M607 PolarHBondContact O-N 2.95Å; Q605-L608 PolarHBondContact O-N 3.27Å; Q605-N609 PolarHBondContact NE2-OD1 2.81Å; Q605-N609 PolarHBondContact O-N 3.46Å; Q605-N609 PolarHBondContact O-ND2 3.46Å; Q605-N609 PolarHBondContact O-OD1 3.27Å; Q605-M643 HydrophobicContact CG-CE 4.18Å; Q605-M643 HydrophobicContact CG-SD 4.16Å; Q605-M643 PolarHBondContact NE2-SD 3.09Å; Q605-M643 VanDerWaalsContact NE2-SD 3.43Å; Q605-I645 HydrophobicContact CG-CD1 4.13Å; Q605-V648 HydrophobicContact CB-CG1 4.28Å; Q605-V648 HydrophobicContact CB-CG2 3.91Å; Q605-V648 HydrophobicContact CG-CG1 4.1Å; Q605-V648 HydrophobicContact CG-CG2 4.01Å |
| 606 | V | 90.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.6 | -46.7 | 173.2 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | Y550 M570 K602 L603 L608 N609 E610 V648 P649 | Y550-V606 HydrophobicContact CD1-CB 4.49Å; Y550-V606 HydrophobicContact CD1-CG1 3.64Å; Y550-V606 HydrophobicContact CD1-CG2 3.96Å; Y550-V606 HydrophobicContact CD2-CG1 4.01Å; Y550-V606 HydrophobicContact CE1-CB 4.41Å; Y550-V606 HydrophobicContact CE1-CG1 3.65Å; Y550-V606 HydrophobicContact CE1-CG2 3.93Å; Y550-V606 HydrophobicContact CE2-CG1 4.03Å; Y550-V606 HydrophobicContact CG-CG1 3.84Å; M570-V606 HydrophobicContact CE-CG1 3.95Å; K602-V606 PolarHBondContact O-N 3.39Å; K602-V606 VanDerWaalsContact O-N 3.16Å; L603-V606 WeakPolarHBondContact O-CB 3.3Å; L603-V606 PolarHBondContact O-N 3.49Å; V606-L608 PolarHBondContact O-N 3Å; V606-N609 PolarHBondContact O-N 3.39Å; V606-E610 PolarHBondContact O-N 3.48Å; V606-V648 HydrophobicContact CG2-CG1 4.09Å; V606-P649 HydrophobicContact CG2-CG 4.34Å |
| 607 | M | 91.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.4 | -38.5 | 178.2 | -68.9 | -51.9 | -52.8 | 0 | 0 | 112.8 | M570 F589 C592 L593 L603 R604 Q605 N609 E610 T611 | M570-M607 HydrophobicContact CE-SD 3.31Å; M570-M607 WeakPolarHBondContact CE-SD 3.45Å; F589-M607 HydrophobicContact CB-CE 4.03Å; F589-M607 HydrophobicContact CD1-CE 3.44Å; F589-M607 VanDerWaalsContact CD1-CE 3.44Å; F589-M607 HydrophobicContact CE1-CE 4.05Å; F589-M607 HydrophobicContact CG-CE 3.88Å; C592-M607 HydrophobicContact CB-CE 3.66Å; C592-M607 HydrophobicContact CB-SD 4.26Å; C592-M607 VanDerWaalsContact SG-SD 3.62Å; L593-M607 HydrophobicContact CB-CB 4.19Å; L593-M607 HydrophobicContact CD1-CB 3.74Å; L603-M607 WeakPolarHBondContact O-CG 3.32Å; L603-M607 PolarHBondContact O-N 3.38Å; R604-M607 PolarHBondContact O-N 3.45Å; Q605-M607 VanDerWaalsContact C-N 3.32Å; Q605-M607 PolarHBondContact O-N 2.95Å; M607-N609 VanDerWaalsContact C-N 3.34Å; M607-E610 PolarHBondContact O-N 3.22Å; M607-T611 VanDerWaalsContact O-CB 3.3Å; M607-T611 WeakPolarHBondContact O-CB 3.34Å; M607-T611 PolarHBondContact O-N 3.16Å; M607-T611 PolarHBondContact O-OG1 3.48Å |
| 608 | L | 91.8 | Very high | 90.4 | Very high | 55 Ų | 55 | 39.1 Ų | 39.1 | 29% | 0.288 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.7 | -41.1 | 174.2 | -71.6 | 172.8 | 0 | 0 | 0 | 111.8 | L593 R604 Q605 V606 T611 L612 | L593-L608 HydrophobicContact CD1-CD2 4.09Å; L593-L608 HydrophobicContact CD1-CG 4.05Å; L593-L608 HydrophobicContact CD2-CD2 3.84Å; R604-L608 HydrophobicContact CG-CD1 4.46Å; R604-L608 WeakPolarHBondContact O-CG 3.5Å; R604-L608 PolarHBondContact O-N 3.38Å; Q605-L608 PolarHBondContact O-N 3.27Å; V606-L608 PolarHBondContact O-N 3Å; L608-T611 PolarHBondContact O-N 2.92Å; L608-L612 WeakPolarHBondContact O-CB 3.26Å; L608-L612 PolarHBondContact O-N 2.87Å |
| 609 | N | 90.8 | Very high | 90.6 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67 | -41.7 | 178.1 | -60.4 | -14.9 | 0 | 0 | 0 | 111.9 | Q605 V606 M607 L612 L613 Y640 I654 | Q605-N609 PolarHBondContact NE2-OD1 2.81Å; Q605-N609 PolarHBondContact O-N 3.46Å; Q605-N609 PolarHBondContact O-ND2 3.46Å; Q605-N609 PolarHBondContact O-OD1 3.27Å; V606-N609 PolarHBondContact O-N 3.39Å; M607-N609 VanDerWaalsContact C-N 3.34Å; N609-L612 WeakPolarHBondContact O-CB 3.16Å; N609-L612 PolarHBondContact O-N 2.86Å; N609-L613 PolarHBondContact O-N 3.24Å; N609-Y640 HydrophobicContact CB-CD2 4.39Å; N609-Y640 HydrophobicContact CB-CE2 3.93Å; N609-Y640 VanDerWaalsContact CG-CE2 3.45Å; N609-Y640 WeakPolarHBondContact OD1-CD2 3.36Å; N609-I654 HydrophobicContact CB-CD1 3.99Å |
| 610 | E | 92.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.2 | -35.8 | 175.3 | -71.4 | -59.3 | 148.9 | 0 | 0 | 112.5 | Y550 L574 F589 V606 M607 L612 L613 L614 R651 | Y550-E610 HydrophobicContact CE2-CG 4.32Å; Y550-E610 WeakPolarHBondContact CE2-OE1 3.47Å; Y550-E610 PolarHBondContact OH-OE1 2.86Å; L574-E610 WeakPolarHBondContact CD2-OE2 3.42Å; F589-E610 HydrophobicContact CD2-CB 4.43Å; F589-E610 HydrophobicContact CE1-CB 4.45Å; F589-E610 HydrophobicContact CE2-CB 3.73Å; F589-E610 HydrophobicContact CZ-CB 3.75Å; F589-E610 HydrophobicContact CZ-CG 4.42Å; V606-E610 PolarHBondContact O-N 3.48Å; M607-E610 PolarHBondContact O-N 3.22Å; E610-L612 VanDerWaalsContact C-N 3.35Å; E610-L613 PolarHBondContact O-N 3.47Å; E610-L614 WeakPolarHBondContact O-CB 3.29Å; E610-L614 PolarHBondContact O-N 3.41Å; E610-R651 VanDerWaalsContact CD-NH2 3.28Å; E610-R651 IonicContact OE1-CZ 2.94Å; E610-R651 IonicContact OE1-NE 2.74Å; E610-R651 IonicContact OE1-NH1 2.86Å; E610-R651 PolarHBondContact OE1-NH1 3.29Å; E610-R651 IonicContact OE1-NH2 3.1Å; E610-R651 PolarHBondContact OE1-NH2 3.02Å; E610-R651 IonicContact OE2-CZ 3.36Å; E610-R651 IonicContact OE2-NH1 3.83Å; E610-R651 PolarHBondContact OE2-NH1 3.22Å; E610-R651 IonicContact OE2-NH2 2.83Å; E610-R651 PolarHBondContact OE2-NH2 3.39Å |
| 611 | T | 93.7 | Very high | 90.4 | Very high | 25 Ų | 25 | 30.1 Ų | 30.1 | 15% | 0.153 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.3 | -40.1 | 174.1 | -56.3 | 0 | 0 | 0 | 0 | 110.9 | M607 L608 L614 D615 | M607-T611 VanDerWaalsContact O-CB 3.3Å; M607-T611 WeakPolarHBondContact O-CB 3.34Å; M607-T611 PolarHBondContact O-N 3.16Å; M607-T611 PolarHBondContact O-OG1 3.48Å; L608-T611 PolarHBondContact O-N 2.92Å; T611-L614 WeakPolarHBondContact O-CB 3.44Å; T611-L614 PolarHBondContact O-N 2.7Å; T611-D615 PolarHBondContact O-N 2.86Å |
| 612 | L | 93.6 | Very high | 90 | Very high | 8 Ų | 8 | 27.1 Ų | 27.1 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.6 | -47.2 | 172.6 | 177.9 | 63.6 | 0 | 0 | 0 | 111.4 | L608 N609 E610 L614 D615 V616 L633 R636 V637 Y640 | L608-L612 WeakPolarHBondContact O-CB 3.26Å; L608-L612 PolarHBondContact O-N 2.87Å; N609-L612 WeakPolarHBondContact O-CB 3.16Å; N609-L612 PolarHBondContact O-N 2.86Å; E610-L612 VanDerWaalsContact C-N 3.35Å; L612-L614 VanDerWaalsContact C-N 3.33Å; L612-L614 PolarHBondContact O-N 3.37Å; L612-D615 PolarHBondContact O-N 3.27Å; L612-V616 HydrophobicContact CD1-CG2 4.5Å; L612-V616 WeakPolarHBondContact O-CG2 3.31Å; L612-V616 PolarHBondContact O-N 3.13Å; L612-L633 HydrophobicContact CD1-CD1 3.79Å; L612-R636 HydrophobicContact CD1-CB 3.79Å; L612-V637 HydrophobicContact CD1-CG2 3.88Å; L612-V637 HydrophobicContact CD2-CG2 4.5Å; L612-V637 HydrophobicContact CG-CG2 4.45Å; L612-Y640 HydrophobicContact CD2-CD1 4.48Å; L612-Y640 HydrophobicContact CD2-CD2 4.36Å; L612-Y640 HydrophobicContact CD2-CG 3.88Å |
| 613 | L | 92.7 | Very high | 88.4 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.5 | -39.5 | 177.6 | -179.6 | 65.2 | 0 | 0 | 0 | 112.1 | N609 E610 D615 V616 R617 I654 E657 | N609-L613 PolarHBondContact O-N 3.24Å; E610-L613 PolarHBondContact O-N 3.47Å; L613-D615 VanDerWaalsContact C-N 3.34Å; L613-V616 PolarHBondContact O-N 2.97Å; L613-R617 HydrophobicContact CD1-CG 4.17Å; L613-R617 HydrophobicContact CG-CG 4.41Å; L613-R617 WeakPolarHBondContact O-CB 3.42Å; L613-R617 WeakPolarHBondContact O-CG 3.31Å; L613-R617 PolarHBondContact O-N 3.18Å; L613-I654 HydrophobicContact CB-CG1 4.45Å; L613-I654 HydrophobicContact CD2-CG1 4.08Å; L613-E657 HydrophobicContact CD1-CB 3.58Å; L613-E657 HydrophobicContact CD1-CG 3.73Å |
| 614 | L | 94.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.8 | -49.1 | 173.3 | 167.5 | 69 | 0 | 0 | 0 | 110.7 | I577 F582 A585 R586 F589 E610 T611 L612 R617 A618 | I577-L614 HydrophobicContact CD1-CB 4.03Å; I577-L614 HydrophobicContact CD1-CD1 3.85Å; I577-L614 HydrophobicContact CD1-CG 4.46Å; I577-L614 HydrophobicContact CG1-CD1 3.57Å; F582-L614 HydrophobicContact CB-CD1 4.31Å; F582-L614 HydrophobicContact CD1-CD1 3.8Å; A585-L614 HydrophobicContact CB-CD1 3.8Å; A585-L614 HydrophobicContact CB-CD2 4.38Å; R586-L614 HydrophobicContact CB-CD2 3.94Å; R586-L614 HydrophobicContact CG-CD2 4.39Å; F589-L614 HydrophobicContact CD2-CB 4.17Å; F589-L614 HydrophobicContact CD2-CD2 3.83Å; F589-L614 HydrophobicContact CE2-CB 4.18Å; E610-L614 WeakPolarHBondContact O-CB 3.29Å; E610-L614 PolarHBondContact O-N 3.41Å; T611-L614 WeakPolarHBondContact O-CB 3.44Å; T611-L614 PolarHBondContact O-N 2.7Å; L612-L614 VanDerWaalsContact C-N 3.33Å; L612-L614 PolarHBondContact O-N 3.37Å; L614-R617 PolarHBondContact O-N 3.3Å; L614-A618 VanDerWaalsContact O-CB 3.22Å; L614-A618 WeakPolarHBondContact O-CB 3.44Å; L614-A618 PolarHBondContact O-N 2.98Å |
| 615 | D | 92.6 | Very high | 84.7 | Confident | 27 Ų | 27 | 30.6 Ų | 30.6 | 14% | 0.144 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | -179.5 | -73.1 | -20.7 | 0 | 0 | 0 | 111.6 | R586 T611 L612 L613 A618 H619 L633 R636 | R586-D615 IonicContact NE-OD1 3.98Å; R586-D615 IonicContact NH2-OD1 3.49Å; T611-D615 PolarHBondContact O-N 2.86Å; L612-D615 PolarHBondContact O-N 3.27Å; L613-D615 VanDerWaalsContact C-N 3.34Å; D615-A618 PolarHBondContact O-N 2.89Å; D615-H619 WeakPolarHBondContact O-CB 3.41Å; D615-H619 PolarHBondContact O-N 3.17Å; D615-L633 HydrophobicContact CB-CD1 3.8Å; D615-R636 IonicContact OD2-CZ 2.86Å; D615-R636 IonicContact OD2-NH1 3.94Å; D615-R636 PolarHBondContact OD2-NH1 3.22Å; D615-R636 IonicContact OD2-NH2 2.98Å; D615-R636 PolarHBondContact OD2-NH2 2.95Å |
| 616 | V | 91.9 | Very high | 83.4 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.3 | -50.4 | 174.4 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | L612 L613 A618 H619 E620 L633 V637 F661 | L612-V616 HydrophobicContact CD1-CG2 4.5Å; L612-V616 WeakPolarHBondContact O-CG2 3.31Å; L612-V616 PolarHBondContact O-N 3.13Å; L613-V616 PolarHBondContact O-N 2.97Å; V616-A618 PolarHBondContact O-N 3Å; V616-H619 PolarHBondContact O-N 3.27Å; V616-E620 HydrophobicContact CG1-CG 4.44Å; V616-E620 WeakPolarHBondContact O-CB 3.43Å; V616-E620 WeakPolarHBondContact O-CG 3.26Å; V616-E620 PolarHBondContact O-N 3.18Å; V616-L633 HydrophobicContact CG2-CD1 4.19Å; V616-V637 HydrophobicContact CG2-CG2 3.91Å; V616-F661 HydrophobicContact CG1-CB 3.92Å; V616-F661 HydrophobicContact CG1-CD2 3.81Å; V616-F661 HydrophobicContact CG1-CG 4.03Å; V616-F661 HydrophobicContact CG2-CD2 4.45Å; V616-F661 HydrophobicContact CG2-CG 4.42Å |
| 617 | R | 91.3 | Very high | 82.6 | Confident | 72 Ų | 72 | 47.7 Ų | 47.7 | 27% | 0.272 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66 | -37.9 | -179.8 | -75.7 | -177.2 | 171.2 | 177.8 | 0.1 | 113 | F582 L613 L614 H619 A621 E657 | F582-R617 HydrophobicContact CE1-CB 4.1Å; L613-R617 HydrophobicContact CD1-CG 4.17Å; L613-R617 HydrophobicContact CG-CG 4.41Å; L613-R617 WeakPolarHBondContact O-CB 3.42Å; L613-R617 WeakPolarHBondContact O-CG 3.31Å; L613-R617 PolarHBondContact O-N 3.18Å; L614-R617 PolarHBondContact O-N 3.3Å; R617-H619 VanDerWaalsContact C-N 3.33Å; R617-A621 WeakPolarHBondContact O-CB 3.42Å; R617-A621 PolarHBondContact O-N 3.41Å; R617-E657 IonicContact CZ-OE1 3.91Å; R617-E657 IonicContact NE-OE1 3.79Å; R617-E657 PolarHBondContact NE-OE1 3.15Å; R617-E657 VanDerWaalsContact NE-OE1 3.15Å; R617-E657 IonicContact NH2-OE1 2.86Å; R617-E657 PolarHBondContact NH2-OE1 3.39Å |
| 618 | A | 90.7 | Very high | 82.2 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 12% | 0.124 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | F582 L614 D615 V616 A622 | F582-A618 HydrophobicContact CB-CB 4Å; F582-A618 HydrophobicContact CD1-CB 3.91Å; F582-A618 HydrophobicContact CD2-CB 4.15Å; F582-A618 HydrophobicContact CE1-CB 4.43Å; F582-A618 HydrophobicContact CG-CB 3.74Å; L614-A618 VanDerWaalsContact O-CB 3.22Å; L614-A618 WeakPolarHBondContact O-CB 3.44Å; L614-A618 PolarHBondContact O-N 2.98Å; D615-A618 PolarHBondContact O-N 2.89Å; V616-A618 PolarHBondContact O-N 3Å; A618-A622 PolarHBondContact O-N 2.88Å |
| 619 | H | 88.9 | Confident | 82 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 17% | 0.167 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.8 | -46.3 | 176.5 | -168 | 70.9 | 0 | 0 | 0 | 111.7 | D615 V616 R617 A621 A622 P629 L633 F661 W665 | D615-H619 WeakPolarHBondContact O-CB 3.41Å; D615-H619 PolarHBondContact O-N 3.17Å; V616-H619 PolarHBondContact O-N 3.27Å; R617-H619 VanDerWaalsContact C-N 3.33Å; H619-A621 VanDerWaalsContact C-N 3.28Å; H619-A621 PolarHBondContact O-N 3.37Å; H619-A622 PolarHBondContact O-N 3.48Å; H619-P629 WeakPolarHBondContact NE2-CA 3.5Å; H619-L633 HydrophobicContact CB-CD2 4.28Å; H619-F661 AromaticContact CD2-CE2 3.98Å; H619-W665 AromaticContact CD2-CE2 3.94Å; H619-W665 AromaticContact CD2-CZ2 3.62Å; H619-W665 AromaticContact NE2-CE2 3.84Å; H619-W665 AromaticContact NE2-CH2 3.79Å; H619-W665 AromaticContact NE2-CZ2 3.29Å; H619-W665 VanDerWaalsContact NE2-CZ2 3.29Å; H619-W665 WeakPolarHBondContact NE2-CZ2 3.41Å |
| 620 | E | 86.1 | Confident | 81.9 | Confident | 24 Ų | 24 | 56.8 Ų | 56.8 | 11% | 0.112 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.5 | -28.5 | 176.2 | -70.6 | -70.8 | 144.5 | 0 | 0 | 112.8 | V616 F661 N664 W665 R760 | V616-E620 HydrophobicContact CG1-CG 4.44Å; V616-E620 WeakPolarHBondContact O-CB 3.43Å; V616-E620 WeakPolarHBondContact O-CG 3.26Å; V616-E620 PolarHBondContact O-N 3.18Å; E620-F661 HydrophobicContact CG-CD2 4.2Å; E620-F661 WeakPolarHBondContact OE1-CD2 3.31Å; E620-N664 PolarHBondContact OE2-ND2 3.23Å; E620-W665 PolarHBondContact OE1-NE1 3.34Å; E620-R760 PolarHBondContact O-NH1 3.27Å; E620-R760 PolarHBondContact O-NH2 3.19Å; E620-R760 IonicContact OE2-CZ 3.46Å; E620-R760 IonicContact OE2-NE 2.65Å |
| 621 | A | 84.4 | Confident | 81.7 | Confident | 30 Ų | 30 | 62.1 Ų | 62.1 | 25% | 0.248 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -86.5 | -8.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | F582 R617 H619 D623 | F582-A621 HydrophobicContact CE2-CB 3.46Å; F582-A621 VanDerWaalsContact CE2-CB 3.46Å; F582-A621 HydrophobicContact CZ-CB 3.51Å; R617-A621 WeakPolarHBondContact O-CB 3.42Å; R617-A621 PolarHBondContact O-N 3.41Å; H619-A621 VanDerWaalsContact C-N 3.28Å; H619-A621 PolarHBondContact O-N 3.37Å; A621-D623 PolarHBondContact O-N 3.19Å |
| 622 | A | 77.2 | Confident | 81.6 | Confident | 47 Ų | 47 | 65.5 Ų | 65.5 | 39% | 0.388 | 35% | 0.351 | S | S | . | . | trans | -73.3 | 71.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | A618 H619 G624 S625 | A618-A622 PolarHBondContact O-N 2.88Å; H619-A622 PolarHBondContact O-N 3.48Å; A622-G624 VanDerWaalsContact C-N 3.26Å; A622-G624 PolarHBondContact O-N 3.36Å; A622-S625 PolarHBondContact O-N 3.37Å | ||
| 623 | D | 54.2 | Low | 81.5 | Confident | 143 Ų | 143 | 65.3 Ų | 65.3 | 77% | 0.765 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 87.5 | 174.1 | -85.3 | -22.5 | 0 | 0 | 0 | 109.1 | A621 R760 | A621-D623 PolarHBondContact O-N 3.19Å; D623-R760 IonicContact OD1-NH1 3.75Å |
| 624 | G | 52.6 | Low | 81.4 | Confident | 80 Ų | 80 | 65.8 Ų | 65.8 | 83% | 0.825 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 161.2 | -30.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A622 R626 | A622-G624 VanDerWaalsContact C-N 3.26Å; A622-G624 PolarHBondContact O-N 3.36Å; G624-R626 PolarHBondContact O-N 2.96Å |
| 625 | S | 49.2 | Very low | 81.3 | Confident | 38 Ų | 38 | 69.3 Ų | 69.3 | 27% | 0.266 | 38% | 0.378 | S | S | . | . | trans | -94.6 | 99.1 | 177.8 | 63.9 | 0 | 0 | 0 | 0 | 110.4 | A622 E627 | A622-S625 PolarHBondContact O-N 3.37Å; S625-E627 PolarHBondContact O-N 3.25Å | ||
| 626 | R | 61.7 | Low | 81.2 | Confident | 250 Ų | 250 | 72.4 Ų | 72.4 | 94% | 0.943 | 39% | 0.387 | S | S | * | . | trans | -67.3 | 14.4 | 155.8 | -68 | -177 | 177.1 | 179.6 | -0.8 | 112 | G624 | G624-R626 PolarHBondContact O-N 2.96Š| ||
| 627 | E | 74.1 | Confident | 81.2 | Confident | 144 Ų | 144 | 72.4 Ų | 72.4 | 67% | 0.673 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -76.2 | 130.9 | -178.8 | -60.8 | -174.7 | 164.9 | 0 | 0 | 108.7 | S625 W665 | S625-E627 PolarHBondContact O-N 3.25Å; E627-W665 WeakPolarHBondContact O-CH2 3.4Å; E627-W665 WeakPolarHBondContact O-CZ3 3.32Å |
| 628 | R | 83.1 | Confident | 81.1 | Confident | 178 Ų | 178 | 72.1 Ų | 72.1 | 67% | 0.672 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 142.3 | 178.7 | -167.9 | 175.4 | -175.6 | 169.5 | 1 | 110.1 | E667 | R628-E667 IonicContact CZ-OE1 3.99Å; R628-E667 IonicContact NE-OE1 2.87Å; R628-E667 IonicContact NH2-OE1 3.49Å; R628-E667 PolarHBondContact NH2-OE1 3.35Å |
| 629 | P | 86.8 | Confident | 80.9 | Confident | 6 Ų | 6 | 73.3 Ų | 73.3 | 4% | 0.039 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 147.5 | 177.7 | 21.8 | -35.3 | 0 | 0 | 0 | 111.2 | H619 V634 F661 W665 | H619-P629 WeakPolarHBondContact NE2-CA 3.5Å; P629-V634 HydrophobicContact CB-CG2 4.14Å; P629-V634 HydrophobicContact CG-CG2 3.85Å; P629-F661 HydrophobicContact CB-CE2 4.23Å; P629-F661 HydrophobicContact CB-CZ 3.58Å; P629-F661 HydrophobicContact CG-CZ 3.86Å; P629-W665 HydrophobicContact CG-CB 4.08Å; P629-W665 HydrophobicContact CG-CD2 3.76Å; P629-W665 HydrophobicContact CG-CE3 4.18Å; P629-W665 HydrophobicContact CG-CG 3.69Å |
| 630 | P | 89 | Confident | 80.9 | Confident | 67 Ų | 67 | 72.6 Ų | 72.6 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 138.4 | 175.5 | 23.7 | -31.1 | 0 | 0 | 0 | 109.8 | D632 L633 V634 | P630-D632 PolarHBondContact O-N 3.02Å; P630-D632 VanDerWaalsContact O-N 3.15Å; P630-L633 HydrophobicContact CG-CB 3.91Å; P630-L633 WeakPolarHBondContact O-CB 3.29Å; P630-L633 PolarHBondContact O-N 2.73Å; P630-V634 PolarHBondContact O-N 3.07Å |
| 631 | P | 88.4 | Confident | 80.8 | Confident | 111 Ų | 111 | 72 Ų | 72 | 72% | 0.721 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.5 | -28 | -174.8 | 24.2 | -34.2 | 0 | 0 | 0 | 112.7 | V634 S635 | P631-V634 PolarHBondContact O-N 3.45Å; P631-S635 WeakPolarHBondContact O-CB 3.27Å; P631-S635 PolarHBondContact O-N 2.89Å |
| 632 | D | 91.5 | Very high | 80.8 | Confident | 96 Ų | 96 | 74.6 Ų | 74.6 | 51% | 0.513 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.4 | -46.1 | 171.7 | 174.8 | 74.3 | 0 | 0 | 0 | 112.2 | P630 V634 S635 R636 | P630-D632 PolarHBondContact O-N 3.02Å; P630-D632 VanDerWaalsContact O-N 3.15Å; D632-V634 PolarHBondContact O-N 3.21Å; D632-S635 WeakPolarHBondContact O-CB 3.48Å; D632-S635 PolarHBondContact O-N 3.44Å; D632-R636 WeakPolarHBondContact O-CG 3.21Å; D632-R636 PolarHBondContact O-N 3.44Å; D632-R636 IonicContact OD2-CZ 3.94Å; D632-R636 IonicContact OD2-NE 3.29Å; D632-R636 PolarHBondContact OD2-NE 2.96Å; D632-R636 IonicContact OD2-NH2 3.92Å; D632-R636 PolarHBondContact OD2-NH2 3.37Å |
| 633 | L | 91.6 | Very high | 80.6 | Confident | 5 Ų | 5 | 74.2 Ų | 74.2 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.2 | -43.7 | -180 | -179.5 | 59.9 | 0 | 0 | 0 | 110.8 | L612 D615 V616 H619 P630 S635 R636 V637 F661 | L612-L633 HydrophobicContact CD1-CD1 3.79Å; D615-L633 HydrophobicContact CB-CD1 3.8Å; V616-L633 HydrophobicContact CG2-CD1 4.19Å; H619-L633 HydrophobicContact CB-CD2 4.28Å; P630-L633 HydrophobicContact CG-CB 3.91Å; P630-L633 WeakPolarHBondContact O-CB 3.29Å; P630-L633 PolarHBondContact O-N 2.73Å; L633-S635 VanDerWaalsContact C-N 3.33Å; L633-S635 PolarHBondContact O-N 3.2Å; L633-R636 PolarHBondContact O-N 3.34Å; L633-V637 WeakPolarHBondContact O-CG2 3.46Å; L633-V637 PolarHBondContact O-N 3.49Å; L633-F661 HydrophobicContact CD2-CE2 4.22Å; L633-F661 HydrophobicContact CD2-CZ 3.86Å; L633-F661 HydrophobicContact CG-CZ 4.09Å |
| 634 | V | 90.8 | Very high | 81 | Confident | 11 Ų | 11 | 75 Ų | 75 | 7% | 0.067 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 175.6 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | P629 P630 P631 D632 V637 R638 F661 M662 E667 | P629-V634 HydrophobicContact CB-CG2 4.14Å; P629-V634 HydrophobicContact CG-CG2 3.85Å; P630-V634 PolarHBondContact O-N 3.07Å; P631-V634 PolarHBondContact O-N 3.45Å; D632-V634 PolarHBondContact O-N 3.21Å; V634-V637 PolarHBondContact O-N 3.29Å; V634-R638 WeakPolarHBondContact O-CG 3.28Å; V634-R638 PolarHBondContact O-N 2.95Å; V634-F661 HydrophobicContact CG2-CE1 4.25Å; V634-M662 HydrophobicContact CG1-CE 4.29Å; V634-M662 HydrophobicContact CG1-SD 4.2Å; V634-E667 HydrophobicContact CG1-CG 4.17Å |
| 635 | S | 90.7 | Very high | 81.6 | Confident | 75 Ų | 75 | 74.6 Ų | 74.6 | 52% | 0.524 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 176.8 | -173.4 | 0 | 0 | 0 | 0 | 112.3 | P631 D632 L633 V637 R638 G639 | P631-S635 WeakPolarHBondContact O-CB 3.27Å; P631-S635 PolarHBondContact O-N 2.89Å; D632-S635 WeakPolarHBondContact O-CB 3.48Å; D632-S635 PolarHBondContact O-N 3.44Å; L633-S635 VanDerWaalsContact C-N 3.33Å; L633-S635 PolarHBondContact O-N 3.2Å; S635-V637 VanDerWaalsContact C-N 3.34Å; S635-V637 PolarHBondContact O-N 2.88Å; S635-R638 PolarHBondContact O-N 3.28Å; S635-G639 PolarHBondContact O-N 3.09Å |
| 636 | R | 91.8 | Very high | 82.1 | Confident | 92 Ų | 92 | 81.3 Ų | 81.3 | 35% | 0.347 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 175.6 | -72.6 | -167.9 | -75.8 | 143.4 | -1.7 | 112.4 | L612 D615 D632 L633 G639 Y640 | L612-R636 HydrophobicContact CD1-CB 3.79Å; D615-R636 IonicContact OD2-CZ 2.86Å; D615-R636 IonicContact OD2-NH1 3.94Å; D615-R636 PolarHBondContact OD2-NH1 3.22Å; D615-R636 IonicContact OD2-NH2 2.98Å; D615-R636 PolarHBondContact OD2-NH2 2.95Å; D632-R636 WeakPolarHBondContact O-CG 3.21Å; D632-R636 PolarHBondContact O-N 3.44Å; D632-R636 IonicContact OD2-CZ 3.94Å; D632-R636 IonicContact OD2-NE 3.29Å; D632-R636 PolarHBondContact OD2-NE 2.96Å; D632-R636 IonicContact OD2-NH2 3.92Å; D632-R636 PolarHBondContact OD2-NH2 3.37Å; L633-R636 PolarHBondContact O-N 3.34Å; R636-G639 PolarHBondContact O-N 3.45Å; R636-Y640 WeakPolarHBondContact O-CB 3.49Å; R636-Y640 PolarHBondContact O-N 3.02Å |
| 637 | V | 91.1 | Very high | 82.3 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 173.7 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | L612 V616 L633 V634 S635 Y640 L641 C658 F661 M662 | L612-V637 HydrophobicContact CD1-CG2 3.88Å; L612-V637 HydrophobicContact CD2-CG2 4.5Å; L612-V637 HydrophobicContact CG-CG2 4.45Å; V616-V637 HydrophobicContact CG2-CG2 3.91Å; L633-V637 WeakPolarHBondContact O-CG2 3.46Å; L633-V637 PolarHBondContact O-N 3.49Å; V634-V637 PolarHBondContact O-N 3.29Å; S635-V637 VanDerWaalsContact C-N 3.34Å; S635-V637 PolarHBondContact O-N 2.88Å; V637-Y640 PolarHBondContact O-N 3.37Å; V637-L641 HydrophobicContact CG1-CD1 4.16Å; V637-L641 WeakPolarHBondContact O-CG 3.42Å; V637-L641 PolarHBondContact O-N 3.31Å; V637-C658 HydrophobicContact CG1-CB 3.78Å; V637-F661 HydrophobicContact CG1-CD1 4.47Å; V637-F661 HydrophobicContact CG2-CD1 4.07Å; V637-F661 HydrophobicContact CG2-CE1 4.17Å; V637-M662 HydrophobicContact CB-SD 4.45Å; V637-M662 HydrophobicContact CG1-CE 4.34Å; V637-M662 HydrophobicContact CG1-CG 3.85Å; V637-M662 HydrophobicContact CG1-SD 3.87Å |
| 638 | R | 88.9 | Confident | 82.4 | Confident | 66 Ų | 66 | 69.2 Ų | 69.2 | 25% | 0.249 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.8 | -48.7 | 175.3 | -66.5 | 177.3 | -173.8 | -157.4 | 4.7 | 111.3 | V634 S635 Y640 L641 E642 M662 E667 Y670 | V634-R638 WeakPolarHBondContact O-CG 3.28Å; V634-R638 PolarHBondContact O-N 2.95Å; S635-R638 PolarHBondContact O-N 3.28Å; R638-Y640 VanDerWaalsContact C-N 3.29Å; R638-Y640 PolarHBondContact O-N 2.98Å; R638-L641 PolarHBondContact O-N 2.82Å; R638-L641 VanDerWaalsContact O-N 3.13Å; R638-E642 PolarHBondContact O-N 3.07Å; R638-M662 HydrophobicContact CG-CE 3.31Å; R638-E667 IonicContact CZ-OE2 2.69Å; R638-E667 IonicContact NH2-OE2 2.72Å; R638-E667 PolarHBondContact NH2-OE2 3.11Å; R638-Y670 HydrophobicContact CB-CE2 3.92Å; R638-Y670 HydrophobicContact CG-CD1 4.28Å; R638-Y670 HydrophobicContact CG-CD2 3.78Å; R638-Y670 HydrophobicContact CG-CE1 4.14Å; R638-Y670 HydrophobicContact CG-CE2 3.64Å; R638-Y670 HydrophobicContact CG-CG 4.09Å; R638-Y670 PolarHBondContact O-OH 3.3Å |
| 639 | G | 87.6 | Confident | 81.8 | Confident | 40 Ų | 40 | 62 Ų | 62 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.4 | -38.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S635 R636 M643 | S635-G639 PolarHBondContact O-N 3.09Å; R636-G639 PolarHBondContact O-N 3.45Å; G639-M643 WeakPolarHBondContact O-CB 3.46Å; G639-M643 PolarHBondContact O-N 2.57Å; G639-M643 VanDerWaalsContact O-N 3.15Å |
| 640 | Y | 87.8 | Confident | 81.3 | Confident | 21 Ų | 21 | 65.9 Ų | 65.9 | 8% | 0.082 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 174.5 | 175.3 | -95.5 | 0 | 0 | 0 | 112.6 | N609 L612 R636 V637 R638 E642 M643 L650 I654 | N609-Y640 HydrophobicContact CB-CD2 4.39Å; N609-Y640 HydrophobicContact CB-CE2 3.93Å; N609-Y640 VanDerWaalsContact CG-CE2 3.45Å; N609-Y640 WeakPolarHBondContact OD1-CD2 3.36Å; L612-Y640 HydrophobicContact CD2-CD1 4.48Å; L612-Y640 HydrophobicContact CD2-CD2 4.36Å; L612-Y640 HydrophobicContact CD2-CG 3.88Å; R636-Y640 WeakPolarHBondContact O-CB 3.49Å; R636-Y640 PolarHBondContact O-N 3.02Å; V637-Y640 PolarHBondContact O-N 3.37Å; R638-Y640 VanDerWaalsContact C-N 3.29Å; R638-Y640 PolarHBondContact O-N 2.98Å; Y640-E642 VanDerWaalsContact C-N 3.27Å; Y640-E642 PolarHBondContact O-N 3.48Å; Y640-M643 HydrophobicContact CD2-CE 3.96Å; Y640-M643 HydrophobicContact CE2-CE 4.04Å; Y640-M643 VanDerWaalsContact O-CB 3.26Å; Y640-M643 WeakPolarHBondContact O-CB 3.36Å; Y640-M643 PolarHBondContact O-N 2.85Å; Y640-L650 HydrophobicContact CE2-CD2 3.94Å; Y640-I654 HydrophobicContact CD1-CG2 4.23Å; Y640-I654 HydrophobicContact CE1-CB 4.22Å; Y640-I654 HydrophobicContact CE1-CG2 3.55Å; Y640-I654 HydrophobicContact CE2-CG2 4.09Å; Y640-I654 VanDerWaalsContact CZ-CG2 3.46Å |
| 641 | L | 85 | Confident | 81 | Confident | 13 Ų | 13 | 63.9 Ų | 63.9 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.4 | -30.4 | -179.9 | -68.7 | 174.2 | 0 | 0 | 0 | 112.4 | V637 R638 C658 V659 Y670 L679 I686 | V637-L641 HydrophobicContact CG1-CD1 4.16Å; V637-L641 WeakPolarHBondContact O-CG 3.42Å; V637-L641 PolarHBondContact O-N 3.31Å; R638-L641 PolarHBondContact O-N 2.82Å; R638-L641 VanDerWaalsContact O-N 3.13Å; L641-C658 HydrophobicContact CD1-CB 4.48Å; L641-C658 HydrophobicContact CD2-CB 4Å; L641-C658 HydrophobicContact CG-CB 4.32Å; L641-V659 HydrophobicContact CD2-CG2 4.27Å; L641-Y670 HydrophobicContact CD1-CE1 4.01Å; L641-L679 WeakPolarHBondContact O-CD1 3.26Å; L641-I686 HydrophobicContact CD2-CD1 4.16Å; L641-I686 HydrophobicContact CD2-CG1 4.48Å |
| 642 | E | 83.1 | Confident | 80.8 | Confident | 84 Ų | 84 | 63 Ų | 63 | 39% | 0.393 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -85.6 | -11 | 176.8 | -75.7 | 162.4 | -148.1 | 0 | 0 | 114.1 | R638 Y640 R644 Y670 | R638-E642 PolarHBondContact O-N 3.07Å; Y640-E642 VanDerWaalsContact C-N 3.27Å; Y640-E642 PolarHBondContact O-N 3.48Å; E642-R644 PolarHBondContact O-N 2.99Å; E642-Y670 WeakPolarHBondContact OE1-CE2 3.35Å; E642-Y670 PolarHBondContact OE1-OH 3.21Å |
| 643 | M | 73.4 | Confident | 80.6 | Confident | 38 Ų | 38 | 60.8 Ų | 60.8 | 19% | 0.187 | 30% | 0.303 | C | S | . | . | trans | -63.8 | 126.2 | -172.9 | -167.8 | 171.3 | 67.2 | 0 | 0 | 111.8 | Q605 G639 Y640 I645 L650 | Q605-M643 HydrophobicContact CG-CE 4.18Å; Q605-M643 HydrophobicContact CG-SD 4.16Å; Q605-M643 PolarHBondContact NE2-SD 3.09Å; Q605-M643 VanDerWaalsContact NE2-SD 3.43Å; G639-M643 WeakPolarHBondContact O-CB 3.46Å; G639-M643 PolarHBondContact O-N 2.57Å; G639-M643 VanDerWaalsContact O-N 3.15Å; Y640-M643 HydrophobicContact CD2-CE 3.96Å; Y640-M643 HydrophobicContact CE2-CE 4.04Å; Y640-M643 VanDerWaalsContact O-CB 3.26Å; Y640-M643 WeakPolarHBondContact O-CB 3.36Å; Y640-M643 PolarHBondContact O-N 2.85Å; M643-I645 HydrophobicContact CG-CB 4.49Å; M643-I645 HydrophobicContact CG-CD1 3.81Å; M643-I645 HydrophobicContact CG-CG1 3.75Å; M643-I645 HydrophobicContact SD-CD1 3.58Å; M643-I645 VanDerWaalsContact SD-CD1 3.58Å; M643-I645 HydrophobicContact SD-CG1 4.19Å; M643-L650 HydrophobicContact CE-CD2 3.93Å | ||
| 644 | R | 62.9 | Low | 80.4 | Confident | 161 Ų | 161 | 60.5 Ų | 60.5 | 61% | 0.608 | 30% | 0.302 | S | S | * | . | trans | -116.3 | 60.9 | 178.1 | -61.4 | -170.3 | -172.3 | -175.9 | 3.4 | 111.9 | E642 S678 | E642-R644 PolarHBondContact O-N 2.99Å; R644-S678 PolarHBondContact NH2-OG 2.83Å | ||
| 645 | I | 64.8 | Low | 80.2 | Confident | 70 Ų | 70 | 60.3 Ų | 60.3 | 36% | 0.359 | 30% | 0.302 | S | S | . | . | trans | -99.2 | 108.6 | 175.2 | -56.5 | 174.7 | 0 | 0 | 0 | 108.5 | Q605 M643 D647 V648 | Q605-I645 HydrophobicContact CG-CD1 4.13Å; M643-I645 HydrophobicContact CG-CB 4.49Å; M643-I645 HydrophobicContact CG-CD1 3.81Å; M643-I645 HydrophobicContact CG-CG1 3.75Å; M643-I645 HydrophobicContact SD-CD1 3.58Å; M643-I645 VanDerWaalsContact SD-CD1 3.58Å; M643-I645 HydrophobicContact SD-CG1 4.19Å; I645-D647 VanDerWaalsContact C-N 3.25Å; I645-D647 PolarHBondContact O-N 3.12Å; I645-V648 HydrophobicContact CB-CG2 4.36Å; I645-V648 HydrophobicContact CG2-CB 4.2Å; I645-V648 HydrophobicContact CG2-CG2 3.62Å | ||
| 646 | H | 59.2 | Low | 80.2 | Confident | 180 Ų | 180 | 57.3 Ų | 57.3 | 83% | 0.833 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -18.8 | -176.2 | -69.1 | -67.9 | 0 | 0 | 0 | 113.9 | ||
| 647 | D | 67.1 | Low | 80.2 | Confident | 126 Ų | 126 | 54.3 Ų | 54.3 | 67% | 0.674 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -1.7 | -172.3 | -64.3 | -33.3 | 0 | 0 | 0 | 115.2 | K602 I645 | K602-D647 WeakPolarHBondContact CD-O 3.34Å; K602-D647 WeakPolarHBondContact CE-O 3.11Å; K602-D647 PolarHBondContact NZ-O 3.29Å; I645-D647 VanDerWaalsContact C-N 3.25Å; I645-D647 PolarHBondContact O-N 3.12Å |
| 648 | V | 75.9 | Confident | 80.2 | Confident | 13 Ų | 13 | 54.3 Ų | 54.3 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -105.4 | 124.7 | -178.5 | 177 | 0 | 0 | 0 | 0 | 110 | K602 Q605 V606 I645 L650 | K602-V648 HydrophobicContact CG-CG2 4.44Å; Q605-V648 HydrophobicContact CB-CG1 4.28Å; Q605-V648 HydrophobicContact CB-CG2 3.91Å; Q605-V648 HydrophobicContact CG-CG1 4.1Å; Q605-V648 HydrophobicContact CG-CG2 4.01Å; V606-V648 HydrophobicContact CG2-CG1 4.09Å; I645-V648 HydrophobicContact CB-CG2 4.36Å; I645-V648 HydrophobicContact CG2-CB 4.2Å; I645-V648 HydrophobicContact CG2-CG2 3.62Å; V648-L650 PolarHBondContact O-N 2.84Å |
| 649 | P | 71 | Confident | 80.3 | Confident | 28 Ų | 28 | 51.1 Ų | 51.1 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 118.9 | 175.5 | 25.6 | -32.5 | 0 | 0 | 0 | 110.4 | D549 Y550 V606 | D549-P649 HydrophobicContact CB-CB 4.31Å; D549-P649 WeakPolarHBondContact O-CB 3.46Å; D549-P649 WeakPolarHBondContact O-CG 3.36Å; Y550-P649 HydrophobicContact CD1-CB 4.4Å; Y550-P649 HydrophobicContact CD1-CG 3.77Å; Y550-P649 HydrophobicContact CE1-CB 4.29Å; Y550-P649 HydrophobicContact CE1-CG 3.91Å; Y550-P649 WeakPolarHBondContact CE1-O 3.39Å; V606-P649 HydrophobicContact CG2-CG 4.34Å |
| 650 | L | 75.6 | Confident | 80.6 | Confident | 87 Ų | 87 | 49.3 Ų | 49.3 | 46% | 0.455 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -95.4 | 118.6 | 178.6 | -66.5 | 170.5 | 0 | 0 | 0 | 109.8 | Y640 M643 V648 | Y640-L650 HydrophobicContact CE2-CD2 3.94Å; M643-L650 HydrophobicContact CE-CD2 3.93Å; V648-L650 PolarHBondContact O-N 2.84Å |
| 651 | R | 83.8 | Confident | 80.8 | Confident | 25 Ų | 25 | 48.3 Ų | 48.3 | 9% | 0.094 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -79.5 | 126.3 | 177.1 | -167.5 | 175.2 | 71.8 | -156.4 | -6.8 | 110 | Y550 E610 V653 I654 | Y550-R651 WeakPolarHBondContact OH-CB 3.35Å; E610-R651 VanDerWaalsContact CD-NH2 3.28Å; E610-R651 IonicContact OE1-CZ 2.94Å; E610-R651 IonicContact OE1-NE 2.74Å; E610-R651 IonicContact OE1-NH1 2.86Å; E610-R651 PolarHBondContact OE1-NH1 3.29Å; E610-R651 IonicContact OE1-NH2 3.1Å; E610-R651 PolarHBondContact OE1-NH2 3.02Å; E610-R651 IonicContact OE2-CZ 3.36Å; E610-R651 IonicContact OE2-NH1 3.83Å; E610-R651 PolarHBondContact OE2-NH1 3.22Å; E610-R651 IonicContact OE2-NH2 2.83Å; E610-R651 PolarHBondContact OE2-NH2 3.39Å; R651-V653 HydrophobicContact CG-CB 4.27Å; R651-V653 HydrophobicContact CG-CG2 4.4Å; R651-V653 PolarHBondContact O-N 3.29Å; R651-V653 VanDerWaalsContact O-N 3.13Å; R651-I654 HydrophobicContact CB-CD1 4.04Å; R651-I654 HydrophobicContact CB-CG1 4.17Å; R651-I654 PolarHBondContact O-N 3.26Å |
| 652 | Q | 82.5 | Confident | 81.1 | Confident | 92 Ų | 92 | 47.7 Ų | 47.7 | 43% | 0.43 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -52.9 | -37.8 | -179.2 | -173.1 | 169.1 | 37.1 | 0 | 0 | 112.6 | I654 G655 E656 Y685 | Q652-I654 VanDerWaalsContact C-N 3.31Å; Q652-I654 PolarHBondContact O-N 2.87Å; Q652-G655 PolarHBondContact O-N 2.99Å; Q652-E656 PolarHBondContact O-N 3.45Å; Q652-E656 VanDerWaalsContact O-N 3.14Å; Q652-Y685 HydrophobicContact CG-CD2 4.48Å; Q652-Y685 HydrophobicContact CG-CE2 3.57Å; Q652-Y685 VanDerWaalsContact NE2-CE2 3.34Å |
| 653 | V | 87.3 | Confident | 81.6 | Confident | 49 Ų | 49 | 43.7 Ų | 43.7 | 30% | 0.297 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.2 | -37.8 | 179 | -179.3 | 0 | 0 | 0 | 0 | 112.7 | R651 E656 E657 | R651-V653 HydrophobicContact CG-CB 4.27Å; R651-V653 HydrophobicContact CG-CG2 4.4Å; R651-V653 PolarHBondContact O-N 3.29Å; R651-V653 VanDerWaalsContact O-N 3.13Å; V653-E656 VanDerWaalsContact O-CG 3.23Å; V653-E656 WeakPolarHBondContact O-CG 3.42Å; V653-E657 HydrophobicContact CG1-CG 4.2Å; V653-E657 WeakPolarHBondContact O-CB 3.44Å; V653-E657 WeakPolarHBondContact O-CG 3.34Å; V653-E657 PolarHBondContact O-N 2.52Å; V653-E657 VanDerWaalsContact O-N 3.12Å |
| 654 | I | 88.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.8 | -43.1 | -179.3 | -55.9 | 172 | 0 | 0 | 0 | 109.6 | N609 L613 Y640 R651 Q652 E657 C658 | N609-I654 HydrophobicContact CB-CD1 3.99Å; L613-I654 HydrophobicContact CB-CG1 4.45Å; L613-I654 HydrophobicContact CD2-CG1 4.08Å; Y640-I654 HydrophobicContact CD1-CG2 4.23Å; Y640-I654 HydrophobicContact CE1-CB 4.22Å; Y640-I654 HydrophobicContact CE1-CG2 3.55Å; Y640-I654 HydrophobicContact CE2-CG2 4.09Å; Y640-I654 VanDerWaalsContact CZ-CG2 3.46Å; R651-I654 HydrophobicContact CB-CD1 4.04Å; R651-I654 HydrophobicContact CB-CG1 4.17Å; R651-I654 PolarHBondContact O-N 3.26Å; Q652-I654 VanDerWaalsContact C-N 3.31Å; Q652-I654 PolarHBondContact O-N 2.87Å; I654-E657 PolarHBondContact O-N 3.03Å; I654-C658 WeakPolarHBondContact O-CB 3.12Å; I654-C658 PolarHBondContact O-N 3.11Å; I654-C658 PolarHBondContact O-SG 2.99Å |
| 655 | G | 87.1 | Confident | 83.7 | Confident | 6 Ų | 6 | 37.5 Ų | 37.5 | 6% | 0.062 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.1 | -44.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q652 V659 | Q652-G655 PolarHBondContact O-N 2.99Å; G655-V659 WeakPolarHBondContact O-CG2 3.37Å; G655-V659 PolarHBondContact O-N 3.09Å; G655-V659 VanDerWaalsContact O-N 3.11Å |
| 656 | E | 89.5 | Confident | 84.9 | Confident | 13 Ų | 13 | 42 Ų | 42 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69 | -36.8 | 179 | 65.6 | 176.7 | -163 | 0 | 0 | 113 | Q652 V653 V659 A660 Y685 F755 K758 | Q652-E656 PolarHBondContact O-N 3.45Å; Q652-E656 VanDerWaalsContact O-N 3.14Å; V653-E656 VanDerWaalsContact O-CG 3.23Å; V653-E656 WeakPolarHBondContact O-CG 3.42Å; E656-V659 PolarHBondContact O-N 3.37Å; E656-A660 WeakPolarHBondContact O-CB 3.33Å; E656-A660 PolarHBondContact O-N 3.23Å; E656-Y685 HydrophobicContact CB-CD1 3.71Å; E656-Y685 HydrophobicContact CB-CD2 3.92Å; E656-Y685 HydrophobicContact CB-CE1 3.76Å; E656-Y685 HydrophobicContact CB-CE2 3.97Å; E656-Y685 HydrophobicContact CB-CG 3.77Å; E656-Y685 VanDerWaalsContact OE2-CE1 3.31Å; E656-Y685 WeakPolarHBondContact OE2-CE1 3.17Å; E656-Y685 PolarHBondContact OE2-OH 3.11Å; E656-F755 HydrophobicContact CB-CD2 4.09Å; E656-F755 WeakPolarHBondContact O-CE2 3.33Å; E656-K758 WeakPolarHBondContact OE1-CE 3.21Å; E656-K758 IonicContact OE1-NZ 3.99Å; E656-K758 PolarHBondContact OE1-NZ 3.19Å; E656-K758 IonicContact OE2-NZ 3.26Å |
| 657 | E | 91.6 | Very high | 86.3 | Confident | 28 Ų | 28 | 34.2 Ų | 34.2 | 13% | 0.131 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.2 | -41 | 176.5 | -67.5 | -95.3 | -155.5 | 0 | 0 | 111.3 | L613 R617 V653 I654 V659 A660 F661 K758 | L613-E657 HydrophobicContact CD1-CB 3.58Å; L613-E657 HydrophobicContact CD1-CG 3.73Å; R617-E657 IonicContact CZ-OE1 3.91Å; R617-E657 IonicContact NE-OE1 3.79Å; R617-E657 PolarHBondContact NE-OE1 3.15Å; R617-E657 VanDerWaalsContact NE-OE1 3.15Å; R617-E657 IonicContact NH2-OE1 2.86Å; R617-E657 PolarHBondContact NH2-OE1 3.39Å; V653-E657 HydrophobicContact CG1-CG 4.2Å; V653-E657 WeakPolarHBondContact O-CB 3.44Å; V653-E657 WeakPolarHBondContact O-CG 3.34Å; V653-E657 PolarHBondContact O-N 2.52Å; V653-E657 VanDerWaalsContact O-N 3.12Å; I654-E657 PolarHBondContact O-N 3.03Å; E657-V659 PolarHBondContact O-N 3.11Å; E657-A660 PolarHBondContact O-N 2.91Å; E657-F661 VanDerWaalsContact O-CB 3.3Å; E657-F661 WeakPolarHBondContact O-CB 3.29Å; E657-F661 PolarHBondContact O-N 3.38Å; E657-K758 VanDerWaalsContact CD-CE 3.45Å; E657-K758 HydrophobicContact CG-CD 3.99Å; E657-K758 WeakPolarHBondContact OE1-CE 3.49Å; E657-K758 WeakPolarHBondContact OE2-CD 3.44Å |
| 658 | C | 91.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.3 | -44.3 | 173.7 | -76.6 | 0 | 0 | 0 | 0 | 112 | V637 L641 I654 F661 M662 | V637-C658 HydrophobicContact CG1-CB 3.78Å; L641-C658 HydrophobicContact CD1-CB 4.48Å; L641-C658 HydrophobicContact CD2-CB 4Å; L641-C658 HydrophobicContact CG-CB 4.32Å; I654-C658 WeakPolarHBondContact O-CB 3.12Å; I654-C658 PolarHBondContact O-N 3.11Å; I654-C658 PolarHBondContact O-SG 2.99Å; C658-F661 PolarHBondContact O-N 3.45Å; C658-M662 VanDerWaalsContact O-CG 3.25Å; C658-M662 WeakPolarHBondContact O-CG 3.4Å; C658-M662 PolarHBondContact O-N 3.45Å; C658-M662 VanDerWaalsContact O-N 3.08Å |
| 659 | V | 91.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.7 | -42.2 | 176.8 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | L641 G655 E656 E657 F661 M662 L663 I686 F755 | L641-V659 HydrophobicContact CD2-CG2 4.27Å; G655-V659 WeakPolarHBondContact O-CG2 3.37Å; G655-V659 PolarHBondContact O-N 3.09Å; G655-V659 VanDerWaalsContact O-N 3.11Å; E656-V659 PolarHBondContact O-N 3.37Å; E657-V659 PolarHBondContact O-N 3.11Å; V659-F661 VanDerWaalsContact C-N 3.34Å; V659-F661 PolarHBondContact O-N 3.37Å; V659-M662 PolarHBondContact O-N 2.98Å; V659-L663 HydrophobicContact CG1-CD1 4.25Å; V659-L663 WeakPolarHBondContact O-CG 3.32Å; V659-L663 PolarHBondContact O-N 3.16Å; V659-I686 HydrophobicContact CG2-CG1 3.79Å; V659-F755 HydrophobicContact CB-CE2 4.25Å; V659-F755 HydrophobicContact CG1-CE2 4.12Å; V659-F755 HydrophobicContact CG1-CZ 3.95Å |
| 660 | A | 93.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -42.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E656 E657 M662 L663 N664 F755 K758 L759 | E656-A660 WeakPolarHBondContact O-CB 3.33Å; E656-A660 PolarHBondContact O-N 3.23Å; E657-A660 PolarHBondContact O-N 2.91Å; A660-M662 PolarHBondContact O-N 3.34Å; A660-L663 PolarHBondContact O-N 3.48Å; A660-N664 WeakPolarHBondContact O-CB 3.15Å; A660-N664 PolarHBondContact O-N 3.41Å; A660-N664 PolarHBondContact O-OD1 3.43Å; A660-F755 HydrophobicContact CB-CE2 4.01Å; A660-K758 HydrophobicContact CB-CB 3.77Å; A660-K758 HydrophobicContact CB-CD 4.49Å; A660-L759 HydrophobicContact CB-CD2 3.97Å |
| 661 | F | 92.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.9 | -47.6 | 174.1 | 176.4 | -97.2 | 0 | 0 | 0 | 111.9 | V616 H619 E620 P629 L633 V634 V637 E657 C658 V659 L663 N664 W665 | V616-F661 HydrophobicContact CG1-CB 3.92Å; V616-F661 HydrophobicContact CG1-CD2 3.81Å; V616-F661 HydrophobicContact CG1-CG 4.03Å; V616-F661 HydrophobicContact CG2-CD2 4.45Å; V616-F661 HydrophobicContact CG2-CG 4.42Å; H619-F661 AromaticContact CD2-CE2 3.98Å; E620-F661 HydrophobicContact CG-CD2 4.2Å; E620-F661 WeakPolarHBondContact OE1-CD2 3.31Å; P629-F661 HydrophobicContact CB-CE2 4.23Å; P629-F661 HydrophobicContact CB-CZ 3.58Å; P629-F661 HydrophobicContact CG-CZ 3.86Å; L633-F661 HydrophobicContact CD2-CE2 4.22Å; L633-F661 HydrophobicContact CD2-CZ 3.86Å; L633-F661 HydrophobicContact CG-CZ 4.09Å; V634-F661 HydrophobicContact CG2-CE1 4.25Å; V637-F661 HydrophobicContact CG1-CD1 4.47Å; V637-F661 HydrophobicContact CG2-CD1 4.07Å; V637-F661 HydrophobicContact CG2-CE1 4.17Å; E657-F661 VanDerWaalsContact O-CB 3.3Å; E657-F661 WeakPolarHBondContact O-CB 3.29Å; E657-F661 PolarHBondContact O-N 3.38Å; C658-F661 PolarHBondContact O-N 3.45Å; V659-F661 VanDerWaalsContact C-N 3.34Å; V659-F661 PolarHBondContact O-N 3.37Å; F661-L663 VanDerWaalsContact C-N 3.3Å; F661-L663 PolarHBondContact O-N 3.39Å; F661-N664 PolarHBondContact O-N 3.17Å; F661-W665 AromaticContact CD2-CD1 3.57Å; F661-W665 AromaticContact CD2-NE1 3.71Å; F661-W665 AromaticContact CE2-CD1 3.47Å; F661-W665 VanDerWaalsContact CE2-CD1 3.47Å; F661-W665 AromaticContact CE2-NE1 3.48Å; F661-W665 AromaticContact CZ-CD1 3.91Å; F661-W665 VanDerWaalsContact O-CD1 3.26Å; F661-W665 PolarHBondContact O-N 3.5Å; F661-W665 VanDerWaalsContact O-N 3.1Å |
| 662 | M | 91.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.3 | -37.5 | 178.6 | -65.1 | -63.6 | -107.4 | 0 | 0 | 112.5 | V634 V637 R638 C658 V659 A660 R666 E667 Y670 L671 | V634-M662 HydrophobicContact CG1-CE 4.29Å; V634-M662 HydrophobicContact CG1-SD 4.2Å; V637-M662 HydrophobicContact CB-SD 4.45Å; V637-M662 HydrophobicContact CG1-CE 4.34Å; V637-M662 HydrophobicContact CG1-CG 3.85Å; V637-M662 HydrophobicContact CG1-SD 3.87Å; R638-M662 HydrophobicContact CG-CE 3.31Å; C658-M662 VanDerWaalsContact O-CG 3.25Å; C658-M662 WeakPolarHBondContact O-CG 3.4Å; C658-M662 PolarHBondContact O-N 3.45Å; C658-M662 VanDerWaalsContact O-N 3.08Å; V659-M662 PolarHBondContact O-N 2.98Å; A660-M662 PolarHBondContact O-N 3.34Å; M662-R666 PolarHBondContact O-N 3.04Å; M662-E667 HydrophobicContact CB-CB 4.32Å; M662-E667 HydrophobicContact CE-CB 4.31Å; M662-E667 PolarHBondContact O-N 3.33Å; M662-E667 HydrophobicContact SD-CB 4.01Å; M662-E667 HydrophobicContact SD-CG 4.14Å; M662-Y670 HydrophobicContact CE-CD1 3.39Å; M662-Y670 HydrophobicContact CE-CE1 3.86Å; M662-Y670 HydrophobicContact CE-CG 3.84Å; M662-L671 HydrophobicContact CB-CD1 4.02Å; M662-L671 HydrophobicContact CB-CG 4.31Å |
| 663 | L | 92.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.3 | -44 | 174.3 | -72.9 | 169.3 | 0 | 0 | 0 | 112.3 | V659 A660 F661 W665 R666 L671 L692 A693 F755 L759 | V659-L663 HydrophobicContact CG1-CD1 4.25Å; V659-L663 WeakPolarHBondContact O-CG 3.32Å; V659-L663 PolarHBondContact O-N 3.16Å; A660-L663 PolarHBondContact O-N 3.48Å; F661-L663 VanDerWaalsContact C-N 3.3Å; F661-L663 PolarHBondContact O-N 3.39Å; L663-W665 VanDerWaalsContact C-N 3.26Å; L663-W665 PolarHBondContact O-N 3.21Å; L663-R666 PolarHBondContact O-N 2.86Å; L663-L671 HydrophobicContact CD2-CD1 3.68Å; L663-L671 HydrophobicContact CG-CD1 3.88Å; L663-L692 HydrophobicContact CD1-CD1 4.3Å; L663-L692 HydrophobicContact CD2-CB 4.24Å; L663-A693 HydrophobicContact CD2-CB 4.06Å; L663-F755 HydrophobicContact CD1-CE1 4.38Å; L663-F755 HydrophobicContact CD1-CZ 3.84Å; L663-L759 HydrophobicContact CB-CD2 3.99Å; L663-L759 HydrophobicContact CD1-CD2 3.71Å |
| 664 | N | 91.6 | Very high | 88 | Confident | 12 Ų | 12 | 32.8 Ų | 32.8 | 6% | 0.064 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.2 | -37.3 | -179.2 | -73.8 | -11.3 | 0 | 0 | 0 | 112.1 | E620 A660 F661 K758 L759 R760 | E620-N664 PolarHBondContact OE2-ND2 3.23Å; A660-N664 WeakPolarHBondContact O-CB 3.15Å; A660-N664 PolarHBondContact O-N 3.41Å; A660-N664 PolarHBondContact O-OD1 3.43Å; F661-N664 PolarHBondContact O-N 3.17Å; N664-K758 PolarHBondContact ND2-O 2.72Å; N664-L759 VanDerWaalsContact OD1-CA 3.28Å; N664-L759 WeakPolarHBondContact OD1-CA 3.34Å; N664-R760 PolarHBondContact OD1-N 2.96Å |
| 665 | W | 90.2 | Very high | 87.5 | Confident | 57 Ų | 57 | 33.6 Ų | 33.6 | 22% | 0.216 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 14.4 | -178 | -66.6 | 103 | 0 | 0 | 0 | 114.4 | H619 E620 E627 P629 F661 L663 E667 | H619-W665 AromaticContact CD2-CE2 3.94Å; H619-W665 AromaticContact CD2-CZ2 3.62Å; H619-W665 AromaticContact NE2-CE2 3.84Å; H619-W665 AromaticContact NE2-CH2 3.79Å; H619-W665 AromaticContact NE2-CZ2 3.29Å; H619-W665 VanDerWaalsContact NE2-CZ2 3.29Å; H619-W665 WeakPolarHBondContact NE2-CZ2 3.41Å; E620-W665 PolarHBondContact OE1-NE1 3.34Å; E627-W665 WeakPolarHBondContact O-CH2 3.4Å; E627-W665 WeakPolarHBondContact O-CZ3 3.32Å; P629-W665 HydrophobicContact CG-CB 4.08Å; P629-W665 HydrophobicContact CG-CD2 3.76Å; P629-W665 HydrophobicContact CG-CE3 4.18Å; P629-W665 HydrophobicContact CG-CG 3.69Å; F661-W665 AromaticContact CD2-CD1 3.57Å; F661-W665 AromaticContact CD2-NE1 3.71Å; F661-W665 AromaticContact CE2-CD1 3.47Å; F661-W665 VanDerWaalsContact CE2-CD1 3.47Å; F661-W665 AromaticContact CE2-NE1 3.48Å; F661-W665 AromaticContact CZ-CD1 3.91Å; F661-W665 VanDerWaalsContact O-CD1 3.26Å; F661-W665 PolarHBondContact O-N 3.5Å; F661-W665 VanDerWaalsContact O-N 3.1Å; L663-W665 VanDerWaalsContact C-N 3.26Å; L663-W665 PolarHBondContact O-N 3.21Å; W665-E667 VanDerWaalsContact C-N 3.27Å; W665-E667 PolarHBondContact O-N 3.35Å |
| 666 | R | 88.8 | Confident | 87.2 | Confident | 163 Ų | 163 | 34.9 Ų | 34.9 | 62% | 0.615 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 34.8 | 176 | -53.6 | 178.2 | 177.6 | -176.8 | -1.7 | 113.8 | M662 L663 N668 E761 | M662-R666 PolarHBondContact O-N 3.04Å; L663-R666 PolarHBondContact O-N 2.86Å; R666-N668 PolarHBondContact O-N 3.2Å; R666-E761 HydrophobicContact CG-CG 4.46Å; R666-E761 IonicContact CZ-OE1 2.93Å; R666-E761 IonicContact NE-OE1 3.35Å; R666-E761 PolarHBondContact NE-OE1 3.28Å; R666-E761 IonicContact NE-OE2 2.82Å; R666-E761 IonicContact NH2-OE1 3.32Å; R666-E761 PolarHBondContact NH2-OE1 3.45Å |
| 667 | E | 88.1 | Confident | 86.7 | Confident | 17 Ų | 17 | 39.3 Ų | 39.3 | 8% | 0.079 | 20% | 0.197 | C | C | . | . | trans | -77.7 | 49.2 | 173.5 | -66.2 | -68.3 | 143.5 | 0 | 0 | 110.8 | R628 V634 R638 M662 W665 D669 Y670 L671 | R628-E667 IonicContact CZ-OE1 3.99Å; R628-E667 IonicContact NE-OE1 2.87Å; R628-E667 IonicContact NH2-OE1 3.49Å; R628-E667 PolarHBondContact NH2-OE1 3.35Å; V634-E667 HydrophobicContact CG1-CG 4.17Å; R638-E667 IonicContact CZ-OE2 2.69Å; R638-E667 IonicContact NH2-OE2 2.72Å; R638-E667 PolarHBondContact NH2-OE2 3.11Å; M662-E667 HydrophobicContact CB-CB 4.32Å; M662-E667 HydrophobicContact CE-CB 4.31Å; M662-E667 PolarHBondContact O-N 3.33Å; M662-E667 HydrophobicContact SD-CB 4.01Å; M662-E667 HydrophobicContact SD-CG 4.14Å; W665-E667 VanDerWaalsContact C-N 3.27Å; W665-E667 PolarHBondContact O-N 3.35Å; E667-D669 VanDerWaalsContact C-N 3.35Å; E667-D669 PolarHBondContact O-N 3.36Å; E667-Y670 PolarHBondContact O-N 3.06Å; E667-L671 PolarHBondContact O-N 3.49Å | ||
| 668 | N | 83.9 | Confident | 86.1 | Confident | 30 Ų | 30 | 40.3 Ų | 40.3 | 16% | 0.16 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.7 | -35.3 | -172.5 | -65.6 | -30.2 | 0 | 0 | 0 | 112 | R666 Y670 L671 T672 A693 | R666-N668 PolarHBondContact O-N 3.2Å; N668-Y670 VanDerWaalsContact C-N 3.28Å; N668-Y670 PolarHBondContact O-N 3.38Å; N668-L671 PolarHBondContact O-N 3.36Å; N668-T672 WeakPolarHBondContact O-CB 3.25Å; N668-T672 VanDerWaalsContact O-CG2 3.24Å; N668-T672 WeakPolarHBondContact O-CG2 3.43Å; N668-T672 PolarHBondContact O-N 3Å; N668-T672 PolarHBondContact O-OG1 2.88Å; N668-A693 HydrophobicContact CB-CB 4.31Å |
| 669 | D | 84.8 | Confident | 85.3 | Confident | 92 Ų | 92 | 41.7 Ų | 41.7 | 49% | 0.492 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64 | -35.3 | -179.1 | -68.4 | -30.7 | 0 | 0 | 0 | 112.4 | E667 L673 K697 | E667-D669 VanDerWaalsContact C-N 3.35Å; E667-D669 PolarHBondContact O-N 3.36Å; D669-L673 WeakPolarHBondContact O-CB 3.44Å; D669-L673 PolarHBondContact O-N 3.19Å; D669-K697 IonicContact OD1-NZ 2.81Å; D669-K697 PolarHBondContact OD1-NZ 3.2Å |
| 670 | Y | 84.8 | Confident | 84.7 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -64.3 | -56.9 | 174 | 177.1 | -104 | 0 | 0 | 0 | 110.8 | R638 L641 E642 M662 E667 N668 T672 Q674 V675 | R638-Y670 HydrophobicContact CB-CE2 3.92Å; R638-Y670 HydrophobicContact CG-CD1 4.28Å; R638-Y670 HydrophobicContact CG-CD2 3.78Å; R638-Y670 HydrophobicContact CG-CE1 4.14Å; R638-Y670 HydrophobicContact CG-CE2 3.64Å; R638-Y670 HydrophobicContact CG-CG 4.09Å; R638-Y670 PolarHBondContact O-OH 3.3Å; L641-Y670 HydrophobicContact CD1-CE1 4.01Å; E642-Y670 WeakPolarHBondContact OE1-CE2 3.35Å; E642-Y670 PolarHBondContact OE1-OH 3.21Å; M662-Y670 HydrophobicContact CE-CD1 3.39Å; M662-Y670 HydrophobicContact CE-CE1 3.86Å; M662-Y670 HydrophobicContact CE-CG 3.84Å; E667-Y670 PolarHBondContact O-N 3.06Å; N668-Y670 VanDerWaalsContact C-N 3.28Å; N668-Y670 PolarHBondContact O-N 3.38Å; Y670-T672 PolarHBondContact O-N 3.42Å; Y670-Q674 HydrophobicContact CD2-CB 3.85Å; Y670-Q674 HydrophobicContact CE2-CB 4.25Å; Y670-Q674 PolarHBondContact O-N 3.37Å; Y670-Q674 VanDerWaalsContact O-N 3.07Å; Y670-V675 HydrophobicContact CD1-CG2 4.47Å; Y670-V675 HydrophobicContact CE1-CG2 4.25Å; Y670-V675 WeakPolarHBondContact O-CG2 2.94Å; Y670-V675 PolarHBondContact O-N 3.08Å |
| 671 | L | 84.3 | Confident | 84 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -61.4 | -28.4 | -175.5 | -71.4 | 174.9 | 0 | 0 | 0 | 113.1 | M662 L663 E667 N668 V675 Q690 A693 | M662-L671 HydrophobicContact CB-CD1 4.02Å; M662-L671 HydrophobicContact CB-CG 4.31Å; L663-L671 HydrophobicContact CD2-CD1 3.68Å; L663-L671 HydrophobicContact CG-CD1 3.88Å; E667-L671 PolarHBondContact O-N 3.49Å; N668-L671 PolarHBondContact O-N 3.36Å; L671-V675 WeakPolarHBondContact O-CG2 3.44Å; L671-Q690 WeakPolarHBondContact O-CB 3.24Å; L671-Q690 VanDerWaalsContact O-CG 3.24Å; L671-Q690 WeakPolarHBondContact O-CG 3.44Å; L671-A693 HydrophobicContact CB-CB 3.85Å; L671-A693 HydrophobicContact CD1-CB 4.04Å |
| 672 | T | 83.4 | Confident | 83.3 | Confident | 23 Ų | 23 | 55 Ų | 55 | 14% | 0.141 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -92.6 | -47.1 | -176.5 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | N668 Y670 A693 S694 | N668-T672 WeakPolarHBondContact O-CB 3.25Å; N668-T672 VanDerWaalsContact O-CG2 3.24Å; N668-T672 WeakPolarHBondContact O-CG2 3.43Å; N668-T672 PolarHBondContact O-N 3Å; N668-T672 PolarHBondContact O-OG1 2.88Å; Y670-T672 PolarHBondContact O-N 3.42Å; T672-A693 HydrophobicContact CG2-CB 3.96Å; T672-S694 VanDerWaalsContact CG2-OG 3.31Å; T672-S694 WeakPolarHBondContact CG2-OG 3.49Å |
| 673 | L | 78.9 | Confident | 83 | Confident | 135 Ų | 135 | 57.1 Ų | 57.1 | 71% | 0.707 | 29% | 0.294 | S | S | * | . | I | π-helix | trans | -105.8 | -24.4 | -169 | -61.7 | 174.4 | 0 | 0 | 0 | 114.3 | D669 | D669-L673 WeakPolarHBondContact O-CB 3.44Å; D669-L673 PolarHBondContact O-N 3.19Å |
| 674 | Q | 78.8 | Confident | 82.7 | Confident | 106 Ų | 106 | 58.6 Ų | 58.6 | 50% | 0.495 | 30% | 0.304 | S | S | . | . | I | π-helix | trans | -107.8 | -12.6 | -168.1 | -59.3 | -177.5 | 0.6 | 0 | 0 | 113.6 | Y670 P676 | Y670-Q674 HydrophobicContact CD2-CB 3.85Å; Y670-Q674 HydrophobicContact CE2-CB 4.25Å; Y670-Q674 PolarHBondContact O-N 3.37Å; Y670-Q674 VanDerWaalsContact O-N 3.07Å; Q674-P676 WeakPolarHBondContact O-CD 3.3Å |
| 675 | V | 78.4 | Confident | 82.6 | Confident | 17 Ų | 17 | 58.2 Ų | 58.2 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -73.1 | 124.9 | -178.6 | -173.5 | 0 | 0 | 0 | 0 | 111.7 | Y670 L671 L679 V680 I686 | Y670-V675 HydrophobicContact CD1-CG2 4.47Å; Y670-V675 HydrophobicContact CE1-CG2 4.25Å; Y670-V675 WeakPolarHBondContact O-CG2 2.94Å; Y670-V675 PolarHBondContact O-N 3.08Å; L671-V675 WeakPolarHBondContact O-CG2 3.44Å; V675-L679 HydrophobicContact CG1-CB 4.43Å; V675-V680 HydrophobicContact CB-CG2 4.28Å; V675-V680 HydrophobicContact CG1-CG2 3.6Å; V675-I686 HydrophobicContact CG1-CG2 3.59Å |
| 676 | P | 80.2 | Confident | 82.6 | Confident | 34 Ų | 34 | 55.8 Ų | 55.8 | 22% | 0.221 | 29% | 0.293 | C | S | . | . | trans | -58.3 | 134.1 | 174.2 | -26.5 | 33.8 | 0 | 0 | 0 | 113.6 | Q674 S678 L679 V680 | Q674-P676 WeakPolarHBondContact O-CD 3.3Å; P676-S678 PolarHBondContact O-N 3.3Å; P676-S678 VanDerWaalsContact O-N 3.12Å; P676-L679 HydrophobicContact CB-CD1 4.1Å; P676-L679 HydrophobicContact CB-CG 4.34Å; P676-L679 HydrophobicContact CG-CD1 3.84Å; P676-L679 PolarHBondContact O-N 3.07Å; P676-V680 PolarHBondContact O-N 2.95Å | ||
| 677 | P | 79.5 | Confident | 82.6 | Confident | 105 Ų | 105 | 50.3 Ų | 50.3 | 68% | 0.682 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -56.8 | -31.6 | -179.8 | -27.5 | 34.4 | 0 | 0 | 0 | 114.7 | L679 V680 M681 | P677-L679 VanDerWaalsContact C-N 3.34Å; P677-L679 PolarHBondContact O-N 3.28Å; P677-V680 PolarHBondContact O-N 2.75Å; P677-M681 WeakPolarHBondContact O-CG 3.38Å; P677-M681 PolarHBondContact O-N 3.13Å |
| 678 | S | 78.5 | Confident | 82.7 | Confident | 49 Ų | 49 | 49.5 Ų | 49.5 | 34% | 0.343 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66 | -33.8 | 177.5 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | R644 P676 N682 | R644-S678 PolarHBondContact NH2-OG 2.83Å; P676-S678 PolarHBondContact O-N 3.3Å; P676-S678 VanDerWaalsContact O-N 3.12Å; S678-N682 VanDerWaalsContact O-CG 3.27Å; S678-N682 PolarHBondContact O-N 2.59Å; S678-N682 PolarHBondContact O-ND2 3.34Å |
| 679 | L | 76.1 | Confident | 83.1 | Confident | 29 Ų | 29 | 48 Ų | 48 | 15% | 0.152 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.7 | -34.6 | 177.8 | -70.1 | 170.7 | 0 | 0 | 0 | 111.4 | L641 V675 P676 P677 M681 N682 N683 I686 | L641-L679 WeakPolarHBondContact O-CD1 3.26Å; V675-L679 HydrophobicContact CG1-CB 4.43Å; P676-L679 HydrophobicContact CB-CD1 4.1Å; P676-L679 HydrophobicContact CB-CG 4.34Å; P676-L679 HydrophobicContact CG-CD1 3.84Å; P676-L679 PolarHBondContact O-N 3.07Å; P677-L679 VanDerWaalsContact C-N 3.34Å; P677-L679 PolarHBondContact O-N 3.28Å; L679-M681 VanDerWaalsContact C-N 3.33Å; L679-M681 PolarHBondContact O-N 2.89Å; L679-N682 PolarHBondContact O-N 2.81Å; L679-N683 PolarHBondContact O-N 2.81Å; L679-I686 HydrophobicContact CB-CD1 4.41Å |
| 680 | V | 78.9 | Confident | 83.4 | Confident | 10 Ų | 10 | 45.4 Ų | 45.4 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.7 | -37.2 | 174.8 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | V675 P676 P677 I686 K687 Q690 | V675-V680 HydrophobicContact CB-CG2 4.28Å; V675-V680 HydrophobicContact CG1-CG2 3.6Å; P676-V680 PolarHBondContact O-N 2.95Å; P677-V680 PolarHBondContact O-N 2.75Å; V680-I686 HydrophobicContact CG2-CG2 4.32Å; V680-K687 HydrophobicContact CG1-CB 4.2Å; V680-K687 HydrophobicContact CG1-CD 3.33Å; V680-K687 HydrophobicContact CG1-CG 4.34Å; V680-Q690 VanDerWaalsContact CG1-OE1 3.24Å |
| 681 | M | 78.1 | Confident | 83.6 | Confident | 139 Ų | 139 | 45.4 Ų | 45.4 | 69% | 0.685 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -74.4 | -30.4 | 177.7 | -67.7 | -65.9 | 110.6 | 0 | 0 | 113.2 | P677 L679 | P677-M681 WeakPolarHBondContact O-CG 3.38Å; P677-M681 PolarHBondContact O-N 3.13Å; L679-M681 VanDerWaalsContact C-N 3.33Å; L679-M681 PolarHBondContact O-N 2.89Å |
| 682 | N | 79 | Confident | 84 | Confident | 134 Ų | 134 | 45.4 Ų | 45.4 | 72% | 0.717 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -96.2 | -27.4 | -171.9 | -68.1 | -17 | 0 | 0 | 0 | 113.9 | S678 L679 | S678-N682 VanDerWaalsContact O-CG 3.27Å; S678-N682 PolarHBondContact O-N 2.59Å; S678-N682 PolarHBondContact O-ND2 3.34Å; L679-N682 PolarHBondContact O-N 2.81Å |
| 683 | N | 84.3 | Confident | 84.3 | Confident | 43 Ų | 43 | 44.3 Ų | 44.3 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | trans | -115.2 | 110.6 | -178.2 | -171.5 | -25.5 | 0 | 0 | 0 | 111.5 | L679 Y685 I686 K687 | L679-N683 PolarHBondContact O-N 2.81Å; N683-Y685 VanDerWaalsContact C-N 3.29Å; N683-Y685 PolarHBondContact O-N 3.11Å; N683-Y685 PolarHBondContact OD1-N 3.18Å; N683-I686 HydrophobicContact CB-CB 4.18Å; N683-I686 HydrophobicContact CB-CD1 3.86Å; N683-I686 HydrophobicContact CB-CG1 3.98Å; N683-I686 PolarHBondContact O-N 3.34Å; N683-K687 PolarHBondContact O-N 3.4Å; N683-K687 VanDerWaalsContact O-N 3.15Å | ||
| 684 | P | 87.2 | Confident | 84.8 | Confident | 32 Ų | 32 | 38.9 Ų | 38.9 | 21% | 0.208 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67 | -27.1 | -175.3 | 27.5 | -36.1 | 0 | 0 | 0 | 113.7 | L688 I746 L747 | P684-L688 WeakPolarHBondContact O-CB 3.47Å; P684-L688 PolarHBondContact O-N 3.26Å; P684-I746 HydrophobicContact CB-CB 4.1Å; P684-I746 HydrophobicContact CB-CD1 4.22Å; P684-I746 HydrophobicContact CB-CG1 4.28Å; P684-I746 WeakPolarHBondContact CB-O 3.27Å; P684-L747 HydrophobicContact CB-CD1 4.39Å; P684-L747 HydrophobicContact CB-CD2 3.68Å; P684-L747 HydrophobicContact CB-CG 3.79Å; P684-L747 HydrophobicContact CG-CD2 3.5Å; P684-L747 VanDerWaalsContact CG-CD2 3.5Å; P684-L747 HydrophobicContact CG-CG 4.2Å |
| 685 | Y | 89.4 | Confident | 85.3 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.9 | -38.6 | 176.5 | -61 | -76 | 0 | 0 | 0 | 111.6 | Q652 E656 N683 L688 G689 L747 F755 | Q652-Y685 HydrophobicContact CG-CD2 4.48Å; Q652-Y685 HydrophobicContact CG-CE2 3.57Å; Q652-Y685 VanDerWaalsContact NE2-CE2 3.34Å; E656-Y685 HydrophobicContact CB-CD1 3.71Å; E656-Y685 HydrophobicContact CB-CD2 3.92Å; E656-Y685 HydrophobicContact CB-CE1 3.76Å; E656-Y685 HydrophobicContact CB-CE2 3.97Å; E656-Y685 HydrophobicContact CB-CG 3.77Å; E656-Y685 VanDerWaalsContact OE2-CE1 3.31Å; E656-Y685 WeakPolarHBondContact OE2-CE1 3.17Å; E656-Y685 PolarHBondContact OE2-OH 3.11Å; N683-Y685 VanDerWaalsContact C-N 3.29Å; N683-Y685 PolarHBondContact O-N 3.11Å; N683-Y685 PolarHBondContact OD1-N 3.18Å; Y685-L688 PolarHBondContact O-N 2.93Å; Y685-G689 PolarHBondContact O-N 2.64Å; Y685-L747 HydrophobicContact CD1-CD1 4.06Å; Y685-L747 HydrophobicContact CE1-CD1 4.04Å; Y685-L747 HydrophobicContact CE1-CD2 4.16Å; Y685-L747 HydrophobicContact CE2-CD2 4.34Å; Y685-F755 HydrophobicContact CD1-CB 4.25Å; Y685-F755 AromaticContact CD1-CD2 3.82Å; Y685-F755 HydrophobicContact CD1-CD2 3.82Å; Y685-F755 HydrophobicContact CD1-CE2 4.34Å; Y685-F755 HydrophobicContact CD1-CG 4.03Å; Y685-F755 HydrophobicContact CE1-CB 4.01Å; Y685-F755 HydrophobicContact CE1-CD2 4.3Å; Y685-F755 HydrophobicContact CE1-CG 4.3Å |
| 686 | I | 88.3 | Confident | 85.7 | Confident | 5 Ų | 5 | 33.3 Ų | 33.3 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 175.5 | -63.5 | 179.3 | 0 | 0 | 0 | 109.9 | L641 V659 V675 L679 V680 N683 L688 G689 Q690 | L641-I686 HydrophobicContact CD2-CD1 4.16Å; L641-I686 HydrophobicContact CD2-CG1 4.48Å; V659-I686 HydrophobicContact CG2-CG1 3.79Å; V675-I686 HydrophobicContact CG1-CG2 3.59Å; L679-I686 HydrophobicContact CB-CD1 4.41Å; V680-I686 HydrophobicContact CG2-CG2 4.32Å; N683-I686 HydrophobicContact CB-CB 4.18Å; N683-I686 HydrophobicContact CB-CD1 3.86Å; N683-I686 HydrophobicContact CB-CG1 3.98Å; N683-I686 PolarHBondContact O-N 3.34Å; I686-L688 PolarHBondContact O-N 3.13Å; I686-G689 PolarHBondContact O-N 3.01Å; I686-Q690 WeakPolarHBondContact O-CB 3.33Å; I686-Q690 PolarHBondContact O-N 3.32Å |
| 687 | K | 89.6 | Confident | 85.9 | Confident | 48 Ų | 48 | 36.1 Ų | 36.1 | 21% | 0.209 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.8 | -47.3 | 174.5 | 179.9 | 64.5 | -174.4 | 171.1 | 0 | 111.9 | V680 N683 L691 I746 | V680-K687 HydrophobicContact CG1-CB 4.2Å; V680-K687 HydrophobicContact CG1-CD 3.33Å; V680-K687 HydrophobicContact CG1-CG 4.34Å; N683-K687 PolarHBondContact O-N 3.4Å; N683-K687 VanDerWaalsContact O-N 3.15Å; K687-L691 HydrophobicContact CD-CD1 4.43Å; K687-L691 HydrophobicContact CG-CD1 4.34Å; K687-L691 WeakPolarHBondContact O-CG 3.5Å; K687-L691 PolarHBondContact O-N 3.43Å; K687-I746 HydrophobicContact CB-CD1 4.44Å; K687-I746 HydrophobicContact CG-CD1 4.31Å |
| 688 | L | 91.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.4 | -43.7 | 178.7 | -178.7 | 62.5 | 0 | 0 | 0 | 111.7 | P684 Y685 I686 L691 L692 L712 L747 F752 F755 | P684-L688 WeakPolarHBondContact O-CB 3.47Å; P684-L688 PolarHBondContact O-N 3.26Å; Y685-L688 PolarHBondContact O-N 2.93Å; I686-L688 PolarHBondContact O-N 3.13Å; L688-L691 PolarHBondContact O-N 3.43Å; L688-L692 HydrophobicContact CD1-CD1 4.24Å; L688-L692 HydrophobicContact CD1-CG 4.41Å; L688-L692 HydrophobicContact CG-CD1 4.01Å; L688-L692 WeakPolarHBondContact O-CB 3.29Å; L688-L692 WeakPolarHBondContact O-CG 3.24Å; L688-L692 PolarHBondContact O-N 2.89Å; L688-L712 HydrophobicContact CD1-CD1 3.93Å; L688-L747 HydrophobicContact CD2-CD1 4.17Å; L688-F752 HydrophobicContact CD1-CE2 4.19Å; L688-F752 HydrophobicContact CD2-CD2 3.71Å; L688-F752 HydrophobicContact CD2-CE2 3.71Å; L688-F755 HydrophobicContact CD2-CD1 3.76Å; L688-F755 HydrophobicContact CD2-CE1 3.77Å; L688-F755 HydrophobicContact CG-CE1 4.3Å |
| 689 | G | 90.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.9 | -40.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y685 I686 L692 A693 | Y685-G689 PolarHBondContact O-N 2.64Å; I686-G689 PolarHBondContact O-N 3.01Å; G689-L692 PolarHBondContact O-N 3.09Å; G689-A693 VanDerWaalsContact O-CB 3.27Å; G689-A693 WeakPolarHBondContact O-CB 3.4Å; G689-A693 PolarHBondContact O-N 3.44Å |
| 690 | Q | 91.1 | Very high | 85 | Confident | 36 Ų | 36 | 36.8 Ų | 36.8 | 17% | 0.168 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.2 | -50 | 172.1 | 174.4 | 179.3 | 42.1 | 0 | 0 | 111.2 | L671 V680 I686 L692 A693 S694 | L671-Q690 WeakPolarHBondContact O-CB 3.24Å; L671-Q690 VanDerWaalsContact O-CG 3.24Å; L671-Q690 WeakPolarHBondContact O-CG 3.44Å; V680-Q690 VanDerWaalsContact CG1-OE1 3.24Å; I686-Q690 WeakPolarHBondContact O-CB 3.33Å; I686-Q690 PolarHBondContact O-N 3.32Å; Q690-L692 PolarHBondContact O-N 3Å; Q690-A693 PolarHBondContact O-N 2.98Å; Q690-S694 WeakPolarHBondContact O-CB 3.3Å; Q690-S694 PolarHBondContact O-N 2.94Å; Q690-S694 PolarHBondContact O-OG 3.29Å |
| 691 | L | 90.2 | Very high | 84 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.5 | -43.8 | -179.9 | -73.5 | 174 | 0 | 0 | 0 | 111.8 | K687 L688 S694 T695 E711 L712 V715 | K687-L691 HydrophobicContact CD-CD1 4.43Å; K687-L691 HydrophobicContact CG-CD1 4.34Å; K687-L691 WeakPolarHBondContact O-CG 3.5Å; K687-L691 PolarHBondContact O-N 3.43Å; L688-L691 PolarHBondContact O-N 3.43Å; L691-S694 PolarHBondContact O-N 3.4Å; L691-T695 WeakPolarHBondContact O-CB 3.38Å; L691-T695 PolarHBondContact O-N 2.96Å; L691-T695 PolarHBondContact O-OG1 3.29Å; L691-T695 VanDerWaalsContact O-OG1 3.07Å; L691-E711 HydrophobicContact CD2-CB 3.79Å; L691-L712 HydrophobicContact CB-CB 4.26Å; L691-L712 HydrophobicContact CB-CD1 3.97Å; L691-V715 HydrophobicContact CD1-CB 4.37Å; L691-V715 HydrophobicContact CD1-CG2 3.87Å |
| 692 | L | 91.6 | Very high | 83 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.5 | -46.7 | 176.1 | -74.5 | 168.7 | 0 | 0 | 0 | 112 | L663 L688 G689 Q690 T695 C696 L712 F755 V764 L768 | L663-L692 HydrophobicContact CD1-CD1 4.3Å; L663-L692 HydrophobicContact CD2-CB 4.24Å; L688-L692 HydrophobicContact CD1-CD1 4.24Å; L688-L692 HydrophobicContact CD1-CG 4.41Å; L688-L692 HydrophobicContact CG-CD1 4.01Å; L688-L692 WeakPolarHBondContact O-CB 3.29Å; L688-L692 WeakPolarHBondContact O-CG 3.24Å; L688-L692 PolarHBondContact O-N 2.89Å; G689-L692 PolarHBondContact O-N 3.09Å; Q690-L692 PolarHBondContact O-N 3Å; L692-T695 PolarHBondContact O-N 3.33Å; L692-C696 VanDerWaalsContact O-CB 3.28Å; L692-C696 WeakPolarHBondContact O-CB 3.44Å; L692-C696 PolarHBondContact O-N 3.36Å; L692-C696 PolarHBondContact O-SG 3.44Å; L692-L712 HydrophobicContact CD2-CD1 4.21Å; L692-L712 HydrophobicContact CD2-CD2 3.68Å; L692-L712 HydrophobicContact CG-CD1 4.32Å; L692-L712 HydrophobicContact CG-CD2 4.39Å; L692-F755 HydrophobicContact CD1-CE1 4.4Å; L692-V764 HydrophobicContact CD1-CG1 4.36Å; L692-V764 HydrophobicContact CD2-CG1 4.44Å; L692-L768 HydrophobicContact CD2-CD1 4.43Å; L692-L768 HydrophobicContact CD2-CD2 3.61Å; L692-L768 HydrophobicContact CD2-CG 3.87Å |
| 693 | A | 90.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | L663 N668 L671 T672 G689 Q690 C696 K697 | L663-A693 HydrophobicContact CD2-CB 4.06Å; N668-A693 HydrophobicContact CB-CB 4.31Å; L671-A693 HydrophobicContact CB-CB 3.85Å; L671-A693 HydrophobicContact CD1-CB 4.04Å; T672-A693 HydrophobicContact CG2-CB 3.96Å; G689-A693 VanDerWaalsContact O-CB 3.27Å; G689-A693 WeakPolarHBondContact O-CB 3.4Å; G689-A693 PolarHBondContact O-N 3.44Å; Q690-A693 PolarHBondContact O-N 2.98Å; A693-C696 PolarHBondContact O-N 3.37Å; A693-K697 VanDerWaalsContact O-CB 3.29Å; A693-K697 WeakPolarHBondContact O-CB 3.42Å; A693-K697 PolarHBondContact O-N 3.49Å |
| 694 | S | 88.4 | Confident | 80.8 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.8 | -51.2 | 176.3 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | T672 Q690 L691 C696 K697 E698 | T672-S694 VanDerWaalsContact CG2-OG 3.31Å; T672-S694 WeakPolarHBondContact CG2-OG 3.49Å; Q690-S694 WeakPolarHBondContact O-CB 3.3Å; Q690-S694 PolarHBondContact O-N 2.94Å; Q690-S694 PolarHBondContact O-OG 3.29Å; L691-S694 PolarHBondContact O-N 3.4Å; S694-C696 PolarHBondContact O-N 3.47Å; S694-K697 PolarHBondContact O-N 3.48Å; S694-E698 WeakPolarHBondContact O-CG 3.48Å; S694-E698 PolarHBondContact O-N 3.34Å |
| 695 | T | 88.9 | Confident | 79.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62 | -44.5 | 178.7 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | L691 L692 K697 E698 L699 T708 A709 L712 T767 W795 | L691-T695 WeakPolarHBondContact O-CB 3.38Å; L691-T695 PolarHBondContact O-N 2.96Å; L691-T695 PolarHBondContact O-OG1 3.29Å; L691-T695 VanDerWaalsContact O-OG1 3.07Å; L692-T695 PolarHBondContact O-N 3.33Å; T695-K697 VanDerWaalsContact C-N 3.34Å; T695-K697 PolarHBondContact O-N 3.12Å; T695-E698 PolarHBondContact O-N 3.36Å; T695-L699 WeakPolarHBondContact O-CG 3.37Å; T695-L699 PolarHBondContact O-N 2.93Å; T695-L699 VanDerWaalsContact O-N 3.12Å; T695-T708 PolarHBondContact OG1-O 3.1Å; T695-A709 HydrophobicContact CG2-CB 4.12Å; T695-L712 HydrophobicContact CG2-CD2 4.44Å; T695-T767 HydrophobicContact CG2-CG2 4Å; T695-W795 HydrophobicContact CG2-CH2 4.19Å |
| 696 | C | 87.9 | Confident | 79 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.034 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.5 | -36.9 | 179.2 | -68.1 | 0 | 0 | 0 | 0 | 113.1 | L692 A693 S694 E698 L763 | L692-C696 VanDerWaalsContact O-CB 3.28Å; L692-C696 WeakPolarHBondContact O-CB 3.44Å; L692-C696 PolarHBondContact O-N 3.36Å; L692-C696 PolarHBondContact O-SG 3.44Å; A693-C696 PolarHBondContact O-N 3.37Å; S694-C696 PolarHBondContact O-N 3.47Å; C696-E698 VanDerWaalsContact C-N 3.32Å; C696-L763 HydrophobicContact CB-CD2 4.05Å; C696-L763 HydrophobicContact CB-CG 4.33Å |
| 697 | K | 83.9 | Confident | 78.7 | Confident | 94 Ų | 94 | 59.4 Ų | 59.4 | 41% | 0.409 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.6 | -33.2 | 176.9 | -176.4 | 173.1 | 176.8 | 170.5 | 0 | 112.4 | D669 A693 S694 T695 P700 | D669-K697 IonicContact OD1-NZ 2.81Å; D669-K697 PolarHBondContact OD1-NZ 3.2Å; A693-K697 VanDerWaalsContact O-CB 3.29Å; A693-K697 WeakPolarHBondContact O-CB 3.42Å; A693-K697 PolarHBondContact O-N 3.49Å; S694-K697 PolarHBondContact O-N 3.48Å; T695-K697 VanDerWaalsContact C-N 3.34Å; T695-K697 PolarHBondContact O-N 3.12Å; K697-P700 WeakPolarHBondContact O-CD 3.4Å |
| 698 | E | 79.3 | Confident | 78.4 | Confident | 54 Ų | 54 | 57.9 Ų | 57.9 | 25% | 0.252 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -91.9 | -12.5 | -175.6 | -68.3 | 175.2 | -179.7 | 0 | 0 | 114.4 | S694 T695 C696 P700 G701 S705 T708 | S694-E698 WeakPolarHBondContact O-CG 3.48Å; S694-E698 PolarHBondContact O-N 3.34Å; T695-E698 PolarHBondContact O-N 3.36Å; C696-E698 VanDerWaalsContact C-N 3.32Å; E698-P700 VanDerWaalsContact O-N 3.09Å; E698-G701 PolarHBondContact O-N 3.29Å; E698-S705 WeakPolarHBondContact O-CB 3.25Å; E698-S705 WeakPolarHBondContact OE2-CA 3.23Å; E698-T708 WeakPolarHBondContact OE2-CB 3.4Å; E698-T708 WeakPolarHBondContact OE2-CG2 3.33Å; E698-T708 PolarHBondContact OE2-OG1 3.26Å |
| 699 | L | 73.4 | Confident | 78.2 | Confident | 24 Ų | 24 | 57.9 Ų | 57.9 | 13% | 0.126 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -31.6 | 176.9 | -79.2 | 165.6 | 0 | 0 | 0 | 115.6 | T695 G701 L763 T767 H791 I794 | T695-L699 WeakPolarHBondContact O-CG 3.37Å; T695-L699 PolarHBondContact O-N 2.93Å; T695-L699 VanDerWaalsContact O-N 3.12Å; L699-G701 PolarHBondContact O-N 2.98Å; L699-L763 HydrophobicContact CD1-CD1 3.77Å; L699-L763 HydrophobicContact CD1-CG 4.27Å; L699-T767 HydrophobicContact CD1-CG2 4.47Å; L699-T767 VanDerWaalsContact CD1-OG1 3.29Å; L699-T767 WeakPolarHBondContact CD1-OG1 3.2Å; L699-H791 HydrophobicContact CD2-CB 4.09Å; L699-I794 HydrophobicContact CD2-CD1 3.39Å; L699-I794 HydrophobicContact CD2-CG2 4.45Å |
| 700 | P | 61.9 | Low | 78.1 | Confident | 118 Ų | 118 | 63.4 Ų | 63.4 | 77% | 0.766 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11 | 174.1 | -20.1 | 33.5 | 0 | 0 | 0 | 115.2 | K697 E698 | K697-P700 WeakPolarHBondContact O-CD 3.4Å; E698-P700 VanDerWaalsContact O-N 3.09Å |
| 701 | G | 58.8 | Low | 78 | Confident | 30 Ų | 30 | 65.1 Ų | 65.1 | 31% | 0.309 | 32% | 0.316 | S | S | . | . | trans | -122.9 | 127.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | E698 L699 K703 S705 | E698-G701 PolarHBondContact O-N 3.29Å; L699-G701 PolarHBondContact O-N 2.98Å; G701-K703 PolarHBondContact O-N 3.45Å; G701-S705 WeakPolarHBondContact O-CB 3.32Å; G701-S705 PolarHBondContact O-OG 2.87Å | ||
| 702 | P | 57 | Low | 78.1 | Confident | 106 Ų | 106 | 65 Ų | 65 | 69% | 0.688 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -12.2 | -170.9 | 27.2 | -33.3 | 0 | 0 | 0 | 116.6 | ||
| 703 | K | 58.9 | Low | 78.1 | Confident | 197 Ų | 197 | 65.4 Ų | 65.4 | 86% | 0.857 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -33.6 | -172.5 | -70.2 | -175.4 | 179 | 179.3 | 0 | 115.1 | G701 | G701-K703 PolarHBondContact O-N 3.45Š|
| 704 | E | 57.9 | Low | 78.1 | Confident | 152 Ų | 152 | 69.8 Ų | 69.8 | 71% | 0.71 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -30.9 | -176.7 | -67.9 | 180 | 165.4 | 0 | 0 | 113.2 | R706 R707 | E704-R706 PolarHBondContact O-N 3.5Å; E704-R707 PolarHBondContact O-N 3.1Å |
| 705 | S | 64.8 | Low | 78.2 | Confident | 4 Ų | 4 | 69.6 Ų | 69.6 | 3% | 0.028 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -54.9 | -29 | -179.4 | 51.1 | 0 | 0 | 0 | 0 | 115.3 | E698 G701 R707 T708 A709 | E698-S705 WeakPolarHBondContact O-CB 3.25Å; E698-S705 WeakPolarHBondContact OE2-CA 3.23Å; G701-S705 WeakPolarHBondContact O-CB 3.32Å; G701-S705 PolarHBondContact O-OG 2.87Å; S705-R707 VanDerWaalsContact C-N 3.31Å; S705-R707 PolarHBondContact O-N 2.95Å; S705-T708 PolarHBondContact O-OG1 3.1Å; S705-A709 WeakPolarHBondContact O-CB 3.45Å; S705-A709 PolarHBondContact O-N 3.38Å |
| 706 | R | 73.1 | Confident | 78.3 | Confident | 163 Ų | 163 | 69.6 Ų | 69.6 | 62% | 0.615 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -68.3 | -27.8 | -177 | -67.1 | -175.2 | -176.6 | -178.8 | -0.2 | 113.3 | E704 K710 | E704-R706 PolarHBondContact O-N 3.5Å; R706-K710 VanDerWaalsContact O-CB 3.25Å; R706-K710 WeakPolarHBondContact O-CB 3.36Å; R706-K710 PolarHBondContact O-N 3.12Å |
| 707 | R | 82.1 | Confident | 78.4 | Confident | 190 Ų | 190 | 70.2 Ų | 70.2 | 72% | 0.717 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -73 | -54.2 | -178.4 | -177.2 | -179.3 | 176 | 172.4 | 1.7 | 110.7 | E704 S705 A709 K710 E711 | E704-R707 PolarHBondContact O-N 3.1Å; S705-R707 VanDerWaalsContact C-N 3.31Å; S705-R707 PolarHBondContact O-N 2.95Å; R707-A709 VanDerWaalsContact C-N 3.33Å; R707-A709 PolarHBondContact O-N 2.68Å; R707-K710 WeakPolarHBondContact O-CB 3.34Å; R707-K710 PolarHBondContact O-N 3.37Å; R707-E711 IonicContact NE-OE1 3.9Å; R707-E711 PolarHBondContact O-N 3.07Å; R707-E711 VanDerWaalsContact O-N 3.14Å |
| 708 | T | 84.4 | Confident | 78.6 | Confident | 17 Ų | 17 | 69.9 Ų | 69.9 | 10% | 0.104 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66 | -37.7 | 179.3 | 60.5 | 0 | 0 | 0 | 0 | 111.1 | T695 E698 S705 K710 E711 L712 | T695-T708 PolarHBondContact OG1-O 3.1Å; E698-T708 WeakPolarHBondContact OE2-CB 3.4Å; E698-T708 WeakPolarHBondContact OE2-CG2 3.33Å; E698-T708 PolarHBondContact OE2-OG1 3.26Å; S705-T708 PolarHBondContact O-OG1 3.1Å; T708-K710 VanDerWaalsContact C-N 3.34Å; T708-K710 PolarHBondContact O-N 2.96Å; T708-E711 PolarHBondContact O-N 3.4Å; T708-L712 PolarHBondContact O-N 2.69Å |
| 709 | A | 86.8 | Confident | 79 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T695 S705 R707 L712 W713 I794 W795 | T695-A709 HydrophobicContact CG2-CB 4.12Å; S705-A709 WeakPolarHBondContact O-CB 3.45Å; S705-A709 PolarHBondContact O-N 3.38Å; R707-A709 VanDerWaalsContact C-N 3.33Å; R707-A709 PolarHBondContact O-N 2.68Å; A709-L712 PolarHBondContact O-N 3.21Å; A709-W713 WeakPolarHBondContact O-CB 3.46Å; A709-W713 PolarHBondContact O-N 3.12Å; A709-I794 HydrophobicContact CB-CG1 4.4Å; A709-W795 HydrophobicContact CB-CE3 4.05Å; A709-W795 HydrophobicContact CB-CH2 4.39Å; A709-W795 HydrophobicContact CB-CZ3 3.77Å; A709-W795 VanDerWaalsContact O-CZ3 3.31Å; A709-W795 WeakPolarHBondContact O-CZ3 3.47Å |
| 710 | K | 88.8 | Confident | 79.6 | Confident | 115 Ų | 115 | 66.3 Ų | 66.3 | 50% | 0.5 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 175.7 | -174.4 | -177.3 | 176.1 | -169.5 | 0 | 111.9 | R706 R707 T708 W713 E714 | R706-K710 VanDerWaalsContact O-CB 3.25Å; R706-K710 WeakPolarHBondContact O-CB 3.36Å; R706-K710 PolarHBondContact O-N 3.12Å; R707-K710 WeakPolarHBondContact O-CB 3.34Å; R707-K710 PolarHBondContact O-N 3.37Å; T708-K710 VanDerWaalsContact C-N 3.34Å; T708-K710 PolarHBondContact O-N 2.96Å; K710-W713 WeakPolarHBondContact O-CB 3.41Å; K710-W713 PolarHBondContact O-N 2.9Å; K710-E714 WeakPolarHBondContact CE-OE1 3.36Å; K710-E714 IonicContact NZ-OE1 3.84Å; K710-E714 WeakPolarHBondContact O-CG 3.33Å; K710-E714 PolarHBondContact O-N 3.31Å |
| 711 | E | 89.5 | Confident | 80.8 | Confident | 73 Ų | 73 | 61.1 Ų | 61.1 | 34% | 0.341 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 176.8 | -68.5 | 179.9 | -161 | 0 | 0 | 111.8 | L691 R707 T708 E714 V715 | L691-E711 HydrophobicContact CD2-CB 3.79Å; R707-E711 IonicContact NE-OE1 3.9Å; R707-E711 PolarHBondContact O-N 3.07Å; R707-E711 VanDerWaalsContact O-N 3.14Å; T708-E711 PolarHBondContact O-N 3.4Å; E711-E714 PolarHBondContact O-N 3.38Å; E711-V715 WeakPolarHBondContact O-CG2 3.27Å; E711-V715 PolarHBondContact O-N 3.19Å |
| 712 | L | 91.8 | Very high | 81.8 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 174.8 | 179.9 | 58.6 | 0 | 0 | 0 | 112 | L688 L691 L692 T695 T708 A709 V715 V716 L771 W795 | L688-L712 HydrophobicContact CD1-CD1 3.93Å; L691-L712 HydrophobicContact CB-CB 4.26Å; L691-L712 HydrophobicContact CB-CD1 3.97Å; L692-L712 HydrophobicContact CD2-CD1 4.21Å; L692-L712 HydrophobicContact CD2-CD2 3.68Å; L692-L712 HydrophobicContact CG-CD1 4.32Å; L692-L712 HydrophobicContact CG-CD2 4.39Å; T695-L712 HydrophobicContact CG2-CD2 4.44Å; T708-L712 PolarHBondContact O-N 2.69Å; A709-L712 PolarHBondContact O-N 3.21Å; L712-V715 PolarHBondContact O-N 3.23Å; L712-V716 HydrophobicContact CD1-CG2 4.04Å; L712-V716 WeakPolarHBondContact O-CG2 3.39Å; L712-V716 PolarHBondContact O-N 3.38Å; L712-L771 HydrophobicContact CD2-CD1 4.22Å; L712-L771 HydrophobicContact CG-CD1 3.87Å; L712-W795 HydrophobicContact CD2-CH2 4Å; L712-W795 HydrophobicContact CD2-CZ3 4.48Å |
| 713 | W | 91.6 | Very high | 82.5 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 4% | 0.038 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.1 | -50.9 | 175.6 | 175.2 | -90.8 | 0 | 0 | 0 | 111.8 | A709 K710 V715 V716 V717 L771 R774 L775 I778 W795 P796 L799 | A709-W713 WeakPolarHBondContact O-CB 3.46Å; A709-W713 PolarHBondContact O-N 3.12Å; K710-W713 WeakPolarHBondContact O-CB 3.41Å; K710-W713 PolarHBondContact O-N 2.9Å; W713-V715 VanDerWaalsContact C-N 3.34Å; W713-V715 PolarHBondContact O-N 3.31Å; W713-V716 PolarHBondContact O-N 3.07Å; W713-V717 HydrophobicContact CD2-CG2 4.22Å; W713-V717 HydrophobicContact CG-CG2 4.37Å; W713-V717 HydrophobicContact CZ2-CG2 4.28Å; W713-V717 WeakPolarHBondContact O-CB 3.24Å; W713-V717 WeakPolarHBondContact O-CG2 3.43Å; W713-V717 PolarHBondContact O-N 3.41Å; W713-L771 HydrophobicContact CE3-CD2 4.4Å; W713-L771 HydrophobicContact CE3-CG 4.06Å; W713-L771 HydrophobicContact CZ3-CG 4.45Å; W713-R774 HydrophobicContact CH2-CB 4.22Å; W713-R774 HydrophobicContact CH2-CG 3.77Å; W713-R774 HydrophobicContact CZ3-CB 3.92Å; W713-R774 HydrophobicContact CZ3-CG 3.8Å; W713-L775 HydrophobicContact CH2-CB 3.91Å; W713-L775 HydrophobicContact CH2-CD1 4.15Å; W713-L775 HydrophobicContact CZ2-CD1 4.18Å; W713-L775 HydrophobicContact CZ3-CB 4.15Å; W713-I778 HydrophobicContact CH2-CD1 3.75Å; W713-I778 HydrophobicContact CZ2-CD1 3.76Å; W713-W795 HydrophobicContact CB-CE3 4.2Å; W713-W795 HydrophobicContact CB-CZ3 4.42Å; W713-W795 HydrophobicContact CE3-CB 4.12Å; W713-W795 HydrophobicContact CE3-CD2 4.22Å; W713-W795 AromaticContact CE3-CE3 3.92Å; W713-W795 HydrophobicContact CE3-CE3 3.92Å; W713-W795 HydrophobicContact CE3-CG 4.31Å; W713-W795 HydrophobicContact CZ3-CB 4.11Å; W713-W795 HydrophobicContact CZ3-CG 4.39Å; W713-P796 HydrophobicContact CB-CG 4.45Å; W713-P796 HydrophobicContact CD2-CG 4.2Å; W713-P796 HydrophobicContact CG-CG 3.91Å; W713-L799 HydrophobicContact CZ2-CD2 3.67Å; W713-L799 HydrophobicContact CZ2-CG 4.18Å |
| 714 | E | 90.9 | Very high | 82.7 | Confident | 92 Ų | 92 | 52.5 Ų | 52.5 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.2 | -44 | -179.9 | -73.7 | 175.4 | -175.1 | 0 | 0 | 111.9 | K710 E711 Q718 | K710-E714 WeakPolarHBondContact CE-OE1 3.36Å; K710-E714 IonicContact NZ-OE1 3.84Å; K710-E714 WeakPolarHBondContact O-CG 3.33Å; K710-E714 PolarHBondContact O-N 3.31Å; E711-E714 PolarHBondContact O-N 3.38Å; E714-Q718 VanDerWaalsContact O-CG 3.26Å; E714-Q718 WeakPolarHBondContact O-CG 3.36Å; E714-Q718 PolarHBondContact O-N 3.21Å; E714-Q718 VanDerWaalsContact O-N 3.08Å |
| 715 | V | 90.7 | Very high | 82.5 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 11% | 0.109 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.2 | -46.3 | 178.1 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | L691 E711 L712 W713 Q718 I719 I746 | L691-V715 HydrophobicContact CD1-CB 4.37Å; L691-V715 HydrophobicContact CD1-CG2 3.87Å; E711-V715 WeakPolarHBondContact O-CG2 3.27Å; E711-V715 PolarHBondContact O-N 3.19Å; L712-V715 PolarHBondContact O-N 3.23Å; W713-V715 VanDerWaalsContact C-N 3.34Å; W713-V715 PolarHBondContact O-N 3.31Å; V715-Q718 PolarHBondContact O-N 3.01Å; V715-I719 HydrophobicContact CG1-CD1 4.3Å; V715-I719 WeakPolarHBondContact O-CG1 3.47Å; V715-I719 PolarHBondContact O-N 3.43Å; V715-I719 VanDerWaalsContact O-N 3.16Å; V715-I746 HydrophobicContact CG1-CD1 3.54Å; V715-I746 HydrophobicContact CG1-CG1 3.8Å |
| 716 | V | 90.4 | Very high | 81.9 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.4 | -37.1 | -178 | 176.1 | 0 | 0 | 0 | 0 | 111.9 | L712 W713 Q718 I719 C720 L771 F772 | L712-V716 HydrophobicContact CD1-CG2 4.04Å; L712-V716 WeakPolarHBondContact O-CG2 3.39Å; L712-V716 PolarHBondContact O-N 3.38Å; W713-V716 PolarHBondContact O-N 3.07Å; V716-Q718 VanDerWaalsContact C-N 3.32Å; V716-Q718 PolarHBondContact O-N 2.95Å; V716-I719 WeakPolarHBondContact O-CB 3.41Å; V716-I719 PolarHBondContact O-N 3.38Å; V716-C720 PolarHBondContact O-N 2.91Å; V716-C720 PolarHBondContact O-SG 2.99Å; V716-L771 HydrophobicContact CB-CD1 4.17Å; V716-L771 HydrophobicContact CB-CD2 3.9Å; V716-L771 HydrophobicContact CG1-CD2 3.5Å; V716-L771 HydrophobicContact CG2-CD1 3.95Å; V716-L771 HydrophobicContact CG2-CD2 4.4Å; V716-F772 HydrophobicContact CG1-CE1 4Å; V716-F772 HydrophobicContact CG1-CE2 3.88Å; V716-F772 HydrophobicContact CG1-CZ 3.46Å; V716-F772 VanDerWaalsContact CG1-CZ 3.46Å |
| 717 | V | 90.1 | Very high | 80.9 | Confident | 18 Ų | 18 | 60.7 Ų | 60.7 | 11% | 0.109 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 173.7 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | W713 I719 C720 S721 L775 L799 V805 | W713-V717 HydrophobicContact CD2-CG2 4.22Å; W713-V717 HydrophobicContact CG-CG2 4.37Å; W713-V717 HydrophobicContact CZ2-CG2 4.28Å; W713-V717 WeakPolarHBondContact O-CB 3.24Å; W713-V717 WeakPolarHBondContact O-CG2 3.43Å; W713-V717 PolarHBondContact O-N 3.41Å; V717-I719 PolarHBondContact O-N 2.88Å; V717-C720 CarbonylContact O-C 3.42Å; V717-C720 PolarHBondContact O-N 3.26Å; V717-C720 VanDerWaalsContact O-N 3.13Å; V717-S721 WeakPolarHBondContact O-CB 3.26Å; V717-S721 PolarHBondContact O-N 3.46Å; V717-S721 VanDerWaalsContact O-N 3.12Å; V717-S721 PolarHBondContact O-OG 3.33Å; V717-L775 HydrophobicContact CG2-CD1 3.87Å; V717-L775 HydrophobicContact CG2-CD2 4.3Å; V717-L799 HydrophobicContact CG1-CD2 4.04Å; V717-L799 HydrophobicContact CG2-CD2 3.85Å; V717-V805 HydrophobicContact CG1-CG2 4.13Å |
| 718 | Q | 88.1 | Confident | 79.2 | Confident | 87 Ų | 87 | 63.5 Ų | 63.5 | 41% | 0.407 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 176.8 | -73 | 172 | -0.5 | 0 | 0 | 112.7 | E714 V715 V716 C720 S721 G745 | E714-Q718 VanDerWaalsContact O-CG 3.26Å; E714-Q718 WeakPolarHBondContact O-CG 3.36Å; E714-Q718 PolarHBondContact O-N 3.21Å; E714-Q718 VanDerWaalsContact O-N 3.08Å; V715-Q718 PolarHBondContact O-N 3.01Å; V716-Q718 VanDerWaalsContact C-N 3.32Å; V716-Q718 PolarHBondContact O-N 2.95Å; Q718-C720 PolarHBondContact O-N 2.86Å; Q718-S721 PolarHBondContact O-N 2.89Å; Q718-S721 VanDerWaalsContact O-N 3.1Å; Q718-G745 PolarHBondContact O-N 3.37Å |
| 719 | I | 87.6 | Confident | 77.5 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.6 | -36.1 | 174.6 | -67.3 | 169 | 0 | 0 | 0 | 110.9 | V715 V716 V717 S721 S743 I746 L747 F752 | V715-I719 HydrophobicContact CG1-CD1 4.3Å; V715-I719 WeakPolarHBondContact O-CG1 3.47Å; V715-I719 PolarHBondContact O-N 3.43Å; V715-I719 VanDerWaalsContact O-N 3.16Å; V716-I719 WeakPolarHBondContact O-CB 3.41Å; V716-I719 PolarHBondContact O-N 3.38Å; V717-I719 PolarHBondContact O-N 2.88Å; I719-S721 VanDerWaalsContact C-N 3.35Å; I719-S743 PolarHBondContact O-OG 3.36Å; I719-S743 VanDerWaalsContact O-OG 3.12Å; I719-I746 HydrophobicContact CD1-CG1 4.38Å; I719-L747 HydrophobicContact CD1-CB 4.38Å; I719-F752 HydrophobicContact CD1-CD2 3.99Å; I719-F752 HydrophobicContact CG2-CB 4.31Å |
| 720 | C | 86.6 | Confident | 75.8 | Confident | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.014 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 8.9 | 178.9 | -56 | 0 | 0 | 0 | 0 | 114.1 | V716 V717 Q718 L736 D806 V810 | V716-C720 PolarHBondContact O-N 2.91Å; V716-C720 PolarHBondContact O-SG 2.99Å; V717-C720 CarbonylContact O-C 3.42Å; V717-C720 PolarHBondContact O-N 3.26Å; V717-C720 VanDerWaalsContact O-N 3.13Å; Q718-C720 PolarHBondContact O-N 2.86Å; C720-L736 VanDerWaalsContact O-CD1 3.22Å; C720-L736 WeakPolarHBondContact O-CD1 3.45Å; C720-D806 PolarHBondContact O-N 2.94Å; C720-D806 VanDerWaalsContact O-N 3.08Å; C720-V810 HydrophobicContact CB-CG2 3.97Å |
| 721 | S | 86.1 | Confident | 73.9 | Confident | 8 Ų | 8 | 74.8 Ų | 74.8 | 6% | 0.056 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -110.2 | 146.9 | -178.8 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | V717 Q718 I719 L744 A804 | V717-S721 WeakPolarHBondContact O-CB 3.26Å; V717-S721 PolarHBondContact O-N 3.46Å; V717-S721 VanDerWaalsContact O-N 3.12Å; V717-S721 PolarHBondContact O-OG 3.33Å; Q718-S721 PolarHBondContact O-N 2.89Å; Q718-S721 VanDerWaalsContact O-N 3.1Å; I719-S721 VanDerWaalsContact C-N 3.35Å; S721-L744 PolarHBondContact O-N 3.16Å; S721-A804 CarbonylContact C-O 3.52Å; S721-A804 VanDerWaalsContact CA-O 3.27Å; S721-A804 WeakPolarHBondContact CA-O 3.47Å |
| 722 | V | 80.8 | Confident | 72.3 | Confident | 37 Ų | 37 | 73.7 Ų | 73.7 | 22% | 0.224 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -97.5 | 138.3 | 178 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | V724 L736 L744 A804 | V722-V724 PolarHBondContact O-N 2.94Å; V722-L736 HydrophobicContact CG2-CD1 4.07Å; V722-L736 HydrophobicContact CG2-CD2 4.3Å; V722-L736 HydrophobicContact CG2-CG 3.68Å; V722-L744 WeakPolarHBondContact O-CD1 3.31Å; V722-A804 PolarHBondContact N-O 2.65Å |
| 723 | S | 71.8 | Confident | 70.5 | Confident | 22 Ų | 22 | 84.7 Ų | 84.7 | 15% | 0.154 | 43% | 0.426 | C | S | . | . | trans | -66 | 123.4 | 171.8 | -178.3 | 0 | 0 | 0 | 0 | 112.1 | Q725 S742 | S723-Q725 PolarHBondContact O-N 3.23Å; S723-S742 PolarHBondContact N-O 3.44Å | ||
| 724 | V | 61.7 | Low | 68.8 | Low | 93 Ų | 93 | 87.8 Ų | 87.8 | 56% | 0.564 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -71.5 | -17.5 | -178.7 | -174.5 | 0 | 0 | 0 | 0 | 112.4 | V722 H726 | V722-V724 PolarHBondContact O-N 2.94Å; V724-H726 VanDerWaalsContact C-N 3.31Å; V724-H726 PolarHBondContact O-N 3.07Å |
| 725 | Q | 55 | Low | 67.4 | Low | 173 Ų | 173 | 84.6 Ų | 84.6 | 81% | 0.808 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -73 | -14.5 | -174.5 | -72.8 | 179.7 | -17.9 | 0 | 0 | 114.8 | S723 | S723-Q725 PolarHBondContact O-N 3.23Š|
| 726 | H | 51.6 | Low | 66.3 | Low | 145 Ų | 145 | 84.3 Ų | 84.3 | 67% | 0.671 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -100.2 | 12.5 | -174.9 | -74.2 | 70.8 | 0 | 0 | 0 | 114.9 | V724 R728 | V724-H726 VanDerWaalsContact C-N 3.31Å; V724-H726 PolarHBondContact O-N 3.07Å; H726-R728 PolarHBondContact O-N 3.44Å |
| 727 | K | 52.5 | Low | 65.3 | Low | 174 Ų | 174 | 87.9 Ų | 87.9 | 76% | 0.757 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 8 | -179.6 | -102.3 | -173.9 | 178.7 | -179.9 | 0 | 116.4 | ||
| 728 | R | 46.4 | Very low | 64.1 | Low | 249 Ų | 249 | 95.5 Ų | 95.5 | 94% | 0.94 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 0.5 | -169.4 | -80.7 | -172.9 | 178.5 | 172.5 | 0.5 | 116.8 | H726 | H726-R728 PolarHBondContact O-N 3.44Š|
| 729 | S | 49.1 | Very low | 62.9 | Low | 119 Ų | 119 | 95.8 Ų | 95.8 | 83% | 0.832 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -132.2 | 1.9 | -169.7 | -168.9 | 0 | 0 | 0 | 0 | 118.5 | ||
| 730 | S | 50.1 | Low | 61.5 | Low | 67 Ų | 67 | 104 Ų | 104 | 47% | 0.469 | 52% | 0.515 | S | S | . | . | trans | -154.2 | 129 | 177.7 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | G732 L734 | S730-G732 PolarHBondContact O-N 3.27Å; S730-L734 WeakPolarHBondContact OG-CD1 3.5Å | ||
| 731 | D | 49.7 | Very low | 60.2 | Low | 183 Ų | 183 | 112.2 Ų | 112.2 | 98% | 0.979 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -77.5 | 59.6 | -176.7 | -160.6 | 16.9 | 0 | 0 | 0 | 112.6 | ||
| 732 | G | 56.1 | Low | 59 | Low | 49 Ų | 49 | 112.5 Ų | 112.5 | 51% | 0.505 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -176.9 | 147.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S730 L734 | S730-G732 PolarHBondContact O-N 3.27Å; G732-L734 VanDerWaalsContact C-N 3.33Å; G732-L734 PolarHBondContact O-N 3.28Å |
| 733 | R | 53.2 | Low | 58.5 | Low | 231 Ų | 231 | 112.1 Ų | 112.1 | 87% | 0.872 | 55% | 0.553 | S | S | * | * | trans | -64 | 92.1 | 169.7 | -82.8 | -175.6 | 176.5 | -177.2 | -1.3 | 109 | G735 | R733-G735 PolarHBondContact O-N 2.81Š| ||
| 734 | L | 55.3 | Low | 58.5 | Low | 76 Ų | 76 | 115.1 Ų | 115.1 | 40% | 0.398 | 57% | 0.567 | S | S | . | * | trans | -75 | 106.2 | 166.3 | -71.4 | 170.6 | 0 | 0 | 0 | 108.4 | S730 G732 | S730-L734 WeakPolarHBondContact OG-CD1 3.5Å; G732-L734 VanDerWaalsContact C-N 3.33Å; G732-L734 PolarHBondContact O-N 3.28Å | ||
| 735 | G | 62 | Low | 59.3 | Low | 24 Ų | 24 | 111.6 Ų | 111.6 | 25% | 0.247 | 55% | 0.55 | C | S | . | * | trans | -78.5 | 170.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R733 I737 K738 Q739 D806 | R733-G735 PolarHBondContact O-N 2.81Å; G735-I737 PolarHBondContact O-N 2.9Å; G735-K738 PolarHBondContact O-N 2.98Å; G735-K738 VanDerWaalsContact O-N 3.1Å; G735-Q739 PolarHBondContact O-N 3.38Å; G735-D806 WeakPolarHBondContact CA-OD2 3.48Å | ||
| 736 | L | 68 | Low | 60.6 | Low | 12 Ų | 12 | 106.6 Ų | 106.6 | 6% | 0.063 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -16.7 | 178.8 | -81.8 | 162.8 | 0 | 0 | 0 | 113.5 | C720 V722 D806 A809 | C720-L736 VanDerWaalsContact O-CD1 3.22Å; C720-L736 WeakPolarHBondContact O-CD1 3.45Å; V722-L736 HydrophobicContact CG2-CD1 4.07Å; V722-L736 HydrophobicContact CG2-CD2 4.3Å; V722-L736 HydrophobicContact CG2-CG 3.68Å; L736-D806 HydrophobicContact CB-CB 4.41Å; L736-D806 HydrophobicContact CD1-CB 3.84Å; L736-D806 HydrophobicContact CG-CB 4.37Å; L736-D806 PolarHBondContact N-OD2 3.48Å; L736-A809 HydrophobicContact CB-CB 4.18Å |
| 737 | I | 68.9 | Low | 62.2 | Low | 76 Ų | 76 | 100.1 Ų | 100.1 | 39% | 0.39 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -36.5 | 179.2 | -59.2 | 173.7 | 0 | 0 | 0 | 111.4 | G735 E808 A809 | G735-I737 PolarHBondContact O-N 2.9Å; I737-E808 HydrophobicContact CD1-CB 4Å; I737-E808 HydrophobicContact CD1-CG 3.68Å; I737-A809 HydrophobicContact CG1-CB 4.32Å |
| 738 | K | 64.7 | Low | 63.8 | Low | 178 Ų | 178 | 95.1 Ų | 95.1 | 77% | 0.774 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -37.2 | -175.1 | -67.9 | -175.8 | -179.1 | 177.9 | 0 | 113.2 | G735 | G735-K738 PolarHBondContact O-N 2.98Å; G735-K738 VanDerWaalsContact O-N 3.1Å |
| 739 | Q | 63.2 | Low | 65.7 | Low | 92 Ų | 92 | 85.1 Ų | 85.1 | 43% | 0.43 | 44% | 0.44 | S | S | . | . | trans | -112.3 | 103 | -179.5 | -158.3 | 173.3 | 4.3 | 0 | 0 | 110.2 | G735 E741 S742 | G735-Q739 PolarHBondContact O-N 3.38Å; Q739-E741 VanDerWaalsContact C-N 3.33Å; Q739-E741 PolarHBondContact O-N 2.82Å; Q739-S742 PolarHBondContact O-OG 2.87Å | ||
| 740 | R | 59.3 | Low | 67.5 | Low | 175 Ų | 175 | 81.4 Ų | 81.4 | 66% | 0.66 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -13.7 | -169.2 | -66.8 | -178.6 | 178.2 | -177.3 | 0 | 114.8 | ||
| 741 | E | 57.9 | Low | 69.3 | Low | 173 Ų | 173 | 81.7 Ų | 81.7 | 81% | 0.808 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -7.1 | -168 | -63.7 | -174.9 | 167.1 | 0 | 0 | 114.6 | Q739 | Q739-E741 VanDerWaalsContact C-N 3.33Å; Q739-E741 PolarHBondContact O-N 2.82Å |
| 742 | S | 61.5 | Low | 71.2 | Confident | 14 Ų | 14 | 73.2 Ų | 73.2 | 10% | 0.098 | 36% | 0.361 | C | S | . | . | trans | -96.8 | 17.1 | -171.8 | 57.1 | 0 | 0 | 0 | 0 | 115.5 | S723 Q739 | S723-S742 PolarHBondContact N-O 3.44Å; Q739-S742 PolarHBondContact O-OG 2.87Å | ||
| 743 | S | 69.6 | Low | 72.8 | Confident | 29 Ų | 29 | 71.6 Ų | 71.6 | 20% | 0.203 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -74.9 | 139.2 | -180 | -176.2 | 0 | 0 | 0 | 0 | 111.9 | I719 G745 | I719-S743 PolarHBondContact O-OG 3.36Å; I719-S743 VanDerWaalsContact O-OG 3.12Å; S743-G745 PolarHBondContact OG-N 3.21Å |
| 744 | L | 72.3 | Confident | 74.6 | Confident | 85 Ų | 85 | 64.1 Ų | 64.1 | 45% | 0.445 | 32% | 0.321 | S | S | . | . | trans | -88 | -6.6 | 177.1 | -72 | 170.5 | 0 | 0 | 0 | 113.8 | S721 V722 | S721-L744 PolarHBondContact O-N 3.16Å; V722-L744 WeakPolarHBondContact O-CD1 3.31Å | ||
| 745 | G | 78.1 | Confident | 76.4 | Confident | 20 Ų | 20 | 60.5 Ų | 60.5 | 21% | 0.206 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -90.3 | 170.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q718 S743 L747 | Q718-G745 PolarHBondContact O-N 3.37Å; S743-G745 PolarHBondContact OG-N 3.21Å; G745-L747 PolarHBondContact O-N 3.11Å; G745-L747 VanDerWaalsContact O-N 3.11Å |
| 746 | I | 83.7 | Confident | 77.8 | Confident | 67 Ų | 67 | 59.5 Ų | 59.5 | 34% | 0.344 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -61.4 | -17.7 | 176.5 | 63.7 | 170.3 | 0 | 0 | 0 | 113.8 | P684 K687 V715 I719 | P684-I746 HydrophobicContact CB-CB 4.1Å; P684-I746 HydrophobicContact CB-CD1 4.22Å; P684-I746 HydrophobicContact CB-CG1 4.28Å; P684-I746 WeakPolarHBondContact CB-O 3.27Å; K687-I746 HydrophobicContact CB-CD1 4.44Å; K687-I746 HydrophobicContact CG-CD1 4.31Å; V715-I746 HydrophobicContact CG1-CD1 3.54Å; V715-I746 HydrophobicContact CG1-CG1 3.8Å; I719-I746 HydrophobicContact CD1-CG1 4.38Å |
| 747 | L | 85.4 | Confident | 78.9 | Confident | 9 Ų | 9 | 64 Ų | 64 | 5% | 0.047 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -141.8 | 150.8 | -179.8 | -70.7 | 170.5 | 0 | 0 | 0 | 110.5 | P684 Y685 L688 I719 G745 | P684-L747 HydrophobicContact CB-CD1 4.39Å; P684-L747 HydrophobicContact CB-CD2 3.68Å; P684-L747 HydrophobicContact CB-CG 3.79Å; P684-L747 HydrophobicContact CG-CD2 3.5Å; P684-L747 VanDerWaalsContact CG-CD2 3.5Å; P684-L747 HydrophobicContact CG-CG 4.2Å; Y685-L747 HydrophobicContact CD1-CD1 4.06Å; Y685-L747 HydrophobicContact CE1-CD1 4.04Å; Y685-L747 HydrophobicContact CE1-CD2 4.16Å; Y685-L747 HydrophobicContact CE2-CD2 4.34Å; L688-L747 HydrophobicContact CD2-CD1 4.17Å; I719-L747 HydrophobicContact CD1-CB 4.38Å; G745-L747 PolarHBondContact O-N 3.11Å; G745-L747 VanDerWaalsContact O-N 3.11Å |
| 748 | Q | 85.8 | Confident | 80 | Confident | 70 Ų | 70 | 61.9 Ų | 61.9 | 33% | 0.327 | 30% | 0.298 | S | S | . | . | trans | -69.6 | 145.2 | 165.3 | -67.3 | 175.7 | -8.2 | 0 | 0 | 110.6 | S750 K751 F752 | Q748-S750 VanDerWaalsContact C-N 3.29Å; Q748-S750 PolarHBondContact O-N 3.43Å; Q748-K751 HydrophobicContact CB-CG 4.42Å; Q748-K751 PolarHBondContact O-N 2.82Å; Q748-F752 PolarHBondContact O-N 3.27Å | ||
| 749 | R | 85.7 | Confident | 81.4 | Confident | 39 Ų | 39 | 53.4 Ų | 53.4 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -49.5 | -45.5 | 177.3 | 179.3 | -174.4 | 170.7 | -83.9 | -10.4 | 113 | K751 F752 I753 A809 T813 E816 | R749-K751 VanDerWaalsContact C-N 3.34Å; R749-K751 PolarHBondContact O-N 2.76Å; R749-F752 WeakPolarHBondContact O-CB 3.28Å; R749-F752 PolarHBondContact O-N 3.45Å; R749-I753 HydrophobicContact CG-CG1 4.48Å; R749-I753 WeakPolarHBondContact O-CG1 3.46Å; R749-I753 PolarHBondContact O-N 3.1Å; R749-A809 PolarHBondContact NE-O 3.17Å; R749-T813 PolarHBondContact NE-OG1 3.24Å; R749-T813 PolarHBondContact NH2-OG1 2.96Å; R749-T813 VanDerWaalsContact NH2-OG1 3.1Å; R749-E816 IonicContact NH2-OE1 3.15Å; R749-E816 PolarHBondContact NH2-OE1 3.28Å |
| 750 | S | 86.1 | Confident | 82.6 | Confident | 41 Ų | 41 | 53.6 Ų | 53.6 | 29% | 0.287 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.8 | -40.1 | -179.5 | 53 | 0 | 0 | 0 | 0 | 112.8 | Q748 T754 | Q748-S750 VanDerWaalsContact C-N 3.29Å; Q748-S750 PolarHBondContact O-N 3.43Å; S750-T754 WeakPolarHBondContact O-CB 3.28Å; S750-T754 PolarHBondContact O-N 3.39Å; S750-T754 PolarHBondContact O-OG1 2.92Å |
| 751 | K | 88.4 | Confident | 84.1 | Confident | 73 Ų | 73 | 46.4 Ų | 46.4 | 32% | 0.317 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.2 | -40.2 | 175.6 | -65.1 | -168.1 | 178.4 | -168.8 | 0 | 111.3 | Q748 R749 T754 F755 | Q748-K751 HydrophobicContact CB-CG 4.42Å; Q748-K751 PolarHBondContact O-N 2.82Å; R749-K751 VanDerWaalsContact C-N 3.34Å; R749-K751 PolarHBondContact O-N 2.76Å; K751-T754 PolarHBondContact O-N 2.69Å; K751-F755 WeakPolarHBondContact O-CB 3.38Å; K751-F755 PolarHBondContact O-N 2.92Å |
| 752 | F | 90.1 | Very high | 85.7 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 2% | 0.022 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.1 | -51.5 | 173.8 | 177.6 | -92.8 | 0 | 0 | 0 | 111.7 | L688 I719 Q748 R749 T754 F755 T756 L768 F772 | L688-F752 HydrophobicContact CD1-CE2 4.19Å; L688-F752 HydrophobicContact CD2-CD2 3.71Å; L688-F752 HydrophobicContact CD2-CE2 3.71Å; I719-F752 HydrophobicContact CD1-CD2 3.99Å; I719-F752 HydrophobicContact CG2-CB 4.31Å; Q748-F752 PolarHBondContact O-N 3.27Å; R749-F752 WeakPolarHBondContact O-CB 3.28Å; R749-F752 PolarHBondContact O-N 3.45Å; F752-T754 VanDerWaalsContact C-N 3.31Å; F752-T754 PolarHBondContact O-N 3.47Å; F752-F755 WeakPolarHBondContact O-CB 3.22Å; F752-F755 PolarHBondContact O-N 3.26Å; F752-F755 VanDerWaalsContact O-N 3.1Å; F752-T756 PolarHBondContact O-N 2.92Å; F752-T756 PolarHBondContact O-OG1 2.66Å; F752-T756 VanDerWaalsContact O-OG1 3.05Å; F752-L768 HydrophobicContact CZ-CD2 4.08Å; F752-F772 HydrophobicContact CD1-CZ 4.39Å; F752-F772 AromaticContact CE1-CE2 3.49Å; F752-F772 HydrophobicContact CE1-CE2 3.49Å; F752-F772 VanDerWaalsContact CE1-CE2 3.49Å; F752-F772 AromaticContact CE1-CZ 3.58Å; F752-F772 HydrophobicContact CE1-CZ 3.58Å; F752-F772 AromaticContact CZ-CE2 3.69Å; F752-F772 HydrophobicContact CZ-CE2 3.69Å; F752-F772 HydrophobicContact CZ-CZ 4.03Å |
| 753 | I | 89.4 | Confident | 87.1 | Confident | 14 Ų | 14 | 43 Ų | 43 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.2 | -42.6 | 176.7 | -63.3 | -62.8 | 0 | 0 | 0 | 111.5 | R749 F755 T756 K757 T813 E816 | R749-I753 HydrophobicContact CG-CG1 4.48Å; R749-I753 WeakPolarHBondContact O-CG1 3.46Å; R749-I753 PolarHBondContact O-N 3.1Å; I753-F755 PolarHBondContact O-N 3.1Å; I753-T756 PolarHBondContact O-N 2.9Å; I753-K757 HydrophobicContact CG2-CD 4.18Å; I753-K757 HydrophobicContact CG2-CG 4.45Å; I753-K757 WeakPolarHBondContact O-CG 3.15Å; I753-K757 PolarHBondContact O-N 3Å; I753-T813 HydrophobicContact CD1-CG2 3.56Å; I753-E816 WeakPolarHBondContact CG2-OE2 3.42Å |
| 754 | T | 90.8 | Very high | 88.2 | Confident | 74 Ų | 74 | 41.8 Ų | 41.8 | 45% | 0.454 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65 | -29.6 | 179.2 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | S750 K751 F752 K758 | S750-T754 WeakPolarHBondContact O-CB 3.28Å; S750-T754 PolarHBondContact O-N 3.39Å; S750-T754 PolarHBondContact O-OG1 2.92Å; K751-T754 PolarHBondContact O-N 2.69Å; F752-T754 VanDerWaalsContact C-N 3.31Å; F752-T754 PolarHBondContact O-N 3.47Å; T754-K758 PolarHBondContact O-NZ 3.45Å |
| 755 | F | 92.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -74.6 | -46.1 | 171.4 | 173.3 | -104.7 | 0 | 0 | 0 | 111.6 | E656 V659 A660 L663 Y685 L688 L692 K751 F752 I753 K757 K758 L759 | E656-F755 HydrophobicContact CB-CD2 4.09Å; E656-F755 WeakPolarHBondContact O-CE2 3.33Å; V659-F755 HydrophobicContact CB-CE2 4.25Å; V659-F755 HydrophobicContact CG1-CE2 4.12Å; V659-F755 HydrophobicContact CG1-CZ 3.95Å; A660-F755 HydrophobicContact CB-CE2 4.01Å; L663-F755 HydrophobicContact CD1-CE1 4.38Å; L663-F755 HydrophobicContact CD1-CZ 3.84Å; Y685-F755 HydrophobicContact CD1-CB 4.25Å; Y685-F755 AromaticContact CD1-CD2 3.82Å; Y685-F755 HydrophobicContact CD1-CD2 3.82Å; Y685-F755 HydrophobicContact CD1-CE2 4.34Å; Y685-F755 HydrophobicContact CD1-CG 4.03Å; Y685-F755 HydrophobicContact CE1-CB 4.01Å; Y685-F755 HydrophobicContact CE1-CD2 4.3Å; Y685-F755 HydrophobicContact CE1-CG 4.3Å; L688-F755 HydrophobicContact CD2-CD1 3.76Å; L688-F755 HydrophobicContact CD2-CE1 3.77Å; L688-F755 HydrophobicContact CG-CE1 4.3Å; L692-F755 HydrophobicContact CD1-CE1 4.4Å; K751-F755 WeakPolarHBondContact O-CB 3.38Å; K751-F755 PolarHBondContact O-N 2.92Å; F752-F755 WeakPolarHBondContact O-CB 3.22Å; F752-F755 PolarHBondContact O-N 3.26Å; F752-F755 VanDerWaalsContact O-N 3.1Å; I753-F755 PolarHBondContact O-N 3.1Å; F755-K757 PolarHBondContact O-N 2.79Å; F755-K758 WeakPolarHBondContact O-CB 3.46Å; F755-K758 PolarHBondContact O-N 3.33Å; F755-L759 HydrophobicContact CE1-CD1 4.18Å; F755-L759 HydrophobicContact CE1-CD2 4.45Å; F755-L759 HydrophobicContact CZ-CD2 4.26Å |
| 756 | T | 91.8 | Very high | 90 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.6 | -34.5 | 178.2 | -49.4 | 0 | 0 | 0 | 0 | 112.6 | F752 I753 K758 L759 L765 L768 L817 Y820 | F752-T756 PolarHBondContact O-N 2.92Å; F752-T756 PolarHBondContact O-OG1 2.66Å; F752-T756 VanDerWaalsContact O-OG1 3.05Å; I753-T756 PolarHBondContact O-N 2.9Å; T756-K758 PolarHBondContact O-N 3.1Å; T756-K758 VanDerWaalsContact O-N 3.12Å; T756-L759 HydrophobicContact CG2-CD1 4.4Å; T756-L759 WeakPolarHBondContact O-CB 2.85Å; T756-L759 PolarHBondContact O-N 3.11Å; T756-L765 HydrophobicContact CG2-CD2 4.24Å; T756-L768 HydrophobicContact CG2-CD1 3.78Å; T756-L817 HydrophobicContact CG2-CD1 3.28Å; T756-Y820 VanDerWaalsContact O-CE1 3.31Å; T756-Y820 WeakPolarHBondContact O-CE1 3.43Å |
| 757 | K | 91.9 | Very high | 90.4 | Very high | 107 Ų | 107 | 34 Ų | 34 | 47% | 0.465 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -1.4 | 173.5 | -73.8 | -178.8 | 179.5 | 177.6 | 0 | 115 | I753 F755 E816 Y820 | I753-K757 HydrophobicContact CG2-CD 4.18Å; I753-K757 HydrophobicContact CG2-CG 4.45Å; I753-K757 WeakPolarHBondContact O-CG 3.15Å; I753-K757 PolarHBondContact O-N 3Å; F755-K757 PolarHBondContact O-N 2.79Å; K757-E816 IonicContact NZ-OE2 3.47Å; K757-Y820 VanDerWaalsContact C-OH 3.24Å; K757-Y820 HydrophobicContact CB-CD2 4.49Å; K757-Y820 HydrophobicContact CB-CE2 4.24Å; K757-Y820 HydrophobicContact CG-CD2 4.09Å; K757-Y820 HydrophobicContact CG-CE2 4.34Å; K757-Y820 HydrophobicContact CG-CG 4.22Å; K757-Y820 PolarHBondContact O-OH 3.17Å |
| 758 | K | 91.9 | Very high | 90.8 | Very high | 31 Ų | 31 | 33.7 Ų | 33.7 | 14% | 0.135 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -13.8 | 169.7 | -58.1 | -179.6 | 178.5 | 83.2 | 0 | 112.3 | E656 E657 A660 N664 T754 F755 T756 | E656-K758 WeakPolarHBondContact OE1-CE 3.21Å; E656-K758 IonicContact OE1-NZ 3.99Å; E656-K758 PolarHBondContact OE1-NZ 3.19Å; E656-K758 IonicContact OE2-NZ 3.26Å; E657-K758 VanDerWaalsContact CD-CE 3.45Å; E657-K758 HydrophobicContact CG-CD 3.99Å; E657-K758 WeakPolarHBondContact OE1-CE 3.49Å; E657-K758 WeakPolarHBondContact OE2-CD 3.44Å; A660-K758 HydrophobicContact CB-CB 3.77Å; A660-K758 HydrophobicContact CB-CD 4.49Å; N664-K758 PolarHBondContact ND2-O 2.72Å; T754-K758 PolarHBondContact O-NZ 3.45Å; F755-K758 WeakPolarHBondContact O-CB 3.46Å; F755-K758 PolarHBondContact O-N 3.33Å; T756-K758 PolarHBondContact O-N 3.1Å; T756-K758 VanDerWaalsContact O-N 3.12Å |
| 759 | L | 92.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -80.9 | 136.6 | 180 | -57.5 | 176.6 | 0 | 0 | 0 | 110 | A660 L663 N664 F755 T756 V764 L765 L768 Y820 | A660-L759 HydrophobicContact CB-CD2 3.97Å; L663-L759 HydrophobicContact CB-CD2 3.99Å; L663-L759 HydrophobicContact CD1-CD2 3.71Å; N664-L759 VanDerWaalsContact OD1-CA 3.28Å; N664-L759 WeakPolarHBondContact OD1-CA 3.34Å; F755-L759 HydrophobicContact CE1-CD1 4.18Å; F755-L759 HydrophobicContact CE1-CD2 4.45Å; F755-L759 HydrophobicContact CZ-CD2 4.26Å; T756-L759 HydrophobicContact CG2-CD1 4.4Å; T756-L759 WeakPolarHBondContact O-CB 2.85Å; T756-L759 PolarHBondContact O-N 3.11Å; L759-V764 HydrophobicContact CD1-CG1 3.93Å; L759-L765 HydrophobicContact CB-CD2 4.09Å; L759-L768 HydrophobicContact CD1-CD1 3.89Å; L759-Y820 VanDerWaalsContact O-CE1 3.26Å; L759-Y820 WeakPolarHBondContact O-CE1 3.45Å; L759-Y820 PolarHBondContact O-OH 3.28Å | ||
| 760 | R | 89.9 | Confident | 91.5 | Very high | 96 Ų | 96 | 28.7 Ų | 28.7 | 36% | 0.362 | 14% | 0.144 | S | C | . | . | trans | -125.2 | -16.9 | -179 | -60.1 | -175.2 | -176.7 | -163.2 | 15.1 | 113.2 | E620 D623 N664 P762 L824 | E620-R760 PolarHBondContact O-NH1 3.27Å; E620-R760 PolarHBondContact O-NH2 3.19Å; E620-R760 IonicContact OE2-CZ 3.46Å; E620-R760 IonicContact OE2-NE 2.65Å; D623-R760 IonicContact OD1-NH1 3.75Å; N664-R760 PolarHBondContact OD1-N 2.96Å; R760-P762 WeakPolarHBondContact O-CD 3.11Å; R760-L824 HydrophobicContact CB-CD1 4.44Å; R760-L824 HydrophobicContact CG-CD1 4.39Å | ||
| 761 | E | 90.6 | Very high | 91.8 | Very high | 24 Ų | 24 | 26.7 Ų | 26.7 | 11% | 0.112 | 13% | 0.13 | C | C | . | . | trans | -69.5 | 122.3 | -176.9 | 179.4 | 55.9 | -159.2 | 0 | 0 | 111.7 | R666 L763 V764 L765 | R666-E761 HydrophobicContact CG-CG 4.46Å; R666-E761 IonicContact CZ-OE1 2.93Å; R666-E761 IonicContact NE-OE1 3.35Å; R666-E761 PolarHBondContact NE-OE1 3.28Å; R666-E761 IonicContact NE-OE2 2.82Å; R666-E761 IonicContact NH2-OE1 3.32Å; R666-E761 PolarHBondContact NH2-OE1 3.45Å; E761-L763 PolarHBondContact O-N 2.81Å; E761-V764 HydrophobicContact CB-CB 4.42Å; E761-V764 HydrophobicContact CB-CG2 4.1Å; E761-V764 HydrophobicContact CG-CG2 4Å; E761-V764 PolarHBondContact O-N 3.31Å; E761-L765 PolarHBondContact O-N 2.84Å; E761-L765 VanDerWaalsContact O-N 3.12Å | ||
| 762 | P | 90.9 | Very high | 92 | Very high | 51 Ų | 51 | 23.3 Ų | 23.3 | 33% | 0.331 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -58.7 | -40.9 | -174.3 | -28.1 | 35.9 | 0 | 0 | 0 | 114.2 | R760 V764 L765 T766 W831 | R760-P762 WeakPolarHBondContact O-CD 3.11Å; P762-V764 PolarHBondContact O-N 3.39Å; P762-L765 PolarHBondContact O-N 3.49Å; P762-T766 WeakPolarHBondContact O-CB 3.34Å; P762-T766 PolarHBondContact O-N 3.1Å; P762-T766 PolarHBondContact O-OG1 3.47Å; P762-T766 VanDerWaalsContact O-OG1 3.1Å; P762-W831 HydrophobicContact CB-CH2 4.15Å; P762-W831 HydrophobicContact CB-CZ2 4.21Å |
| 763 | L | 91.3 | Very high | 92.1 | Very high | 64 Ų | 64 | 23 Ų | 23 | 34% | 0.335 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -62.3 | -46.6 | -178.8 | -177.8 | 61.1 | 0 | 0 | 0 | 111.2 | C696 L699 E761 L765 T766 T767 | C696-L763 HydrophobicContact CB-CD2 4.05Å; C696-L763 HydrophobicContact CB-CG 4.33Å; L699-L763 HydrophobicContact CD1-CD1 3.77Å; L699-L763 HydrophobicContact CD1-CG 4.27Å; E761-L763 PolarHBondContact O-N 2.81Å; L763-L765 PolarHBondContact O-N 3.28Å; L763-T766 PolarHBondContact O-N 3.42Å; L763-T767 PolarHBondContact O-N 3.31Å; L763-T767 PolarHBondContact O-OG1 2.86Å |
| 764 | V | 92.6 | Very high | 92.2 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.024 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | -180 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | L692 L759 E761 P762 T767 L768 | L692-V764 HydrophobicContact CD1-CG1 4.36Å; L692-V764 HydrophobicContact CD2-CG1 4.44Å; L759-V764 HydrophobicContact CD1-CG1 3.93Å; E761-V764 HydrophobicContact CB-CB 4.42Å; E761-V764 HydrophobicContact CB-CG2 4.1Å; E761-V764 HydrophobicContact CG-CG2 4Å; E761-V764 PolarHBondContact O-N 3.31Å; P762-V764 PolarHBondContact O-N 3.39Å; V764-T767 PolarHBondContact O-N 2.94Å; V764-L768 HydrophobicContact CG1-CD1 4.44Å; V764-L768 WeakPolarHBondContact O-CG 3.46Å; V764-L768 PolarHBondContact O-N 3.29Å |
| 765 | L | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 176.4 | -69.1 | 174.4 | 0 | 0 | 0 | 111.7 | T756 L759 E761 P762 L763 T767 L768 I769 L817 Y820 A821 L824 W831 | T756-L765 HydrophobicContact CG2-CD2 4.24Å; L759-L765 HydrophobicContact CB-CD2 4.09Å; E761-L765 PolarHBondContact O-N 2.84Å; E761-L765 VanDerWaalsContact O-N 3.12Å; P762-L765 PolarHBondContact O-N 3.49Å; L763-L765 PolarHBondContact O-N 3.28Å; L765-T767 PolarHBondContact O-N 3.09Å; L765-L768 PolarHBondContact O-N 3.46Å; L765-I769 WeakPolarHBondContact O-CB 3.41Å; L765-I769 VanDerWaalsContact O-CG1 3.22Å; L765-I769 WeakPolarHBondContact O-CG1 3.44Å; L765-I769 PolarHBondContact O-N 3.12Å; L765-L817 HydrophobicContact CD2-CD1 4.26Å; L765-Y820 HydrophobicContact CD2-CD1 4.4Å; L765-Y820 HydrophobicContact CD2-CE1 4.14Å; L765-A821 HydrophobicContact CD1-CB 4.39Å; L765-L824 HydrophobicContact CD1-CD1 3.71Å; L765-W831 HydrophobicContact CB-CH2 4.35Å; L765-W831 HydrophobicContact CB-CZ2 4.09Å; L765-W831 HydrophobicContact CD1-CH2 4.27Å |
| 766 | T | 93.4 | Very high | 91.9 | Very high | 9 Ų | 9 | 22.1 Ų | 22.1 | 6% | 0.055 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.3 | -43.2 | 174.9 | -70.3 | 0 | 0 | 0 | 0 | 111.9 | P762 L763 I769 S770 E790 W831 | P762-T766 WeakPolarHBondContact O-CB 3.34Å; P762-T766 PolarHBondContact O-N 3.1Å; P762-T766 PolarHBondContact O-OG1 3.47Å; P762-T766 VanDerWaalsContact O-OG1 3.1Å; L763-T766 PolarHBondContact O-N 3.42Å; T766-I769 PolarHBondContact O-N 2.87Å; T766-S770 WeakPolarHBondContact O-CB 3.43Å; T766-S770 PolarHBondContact O-N 3.5Å; T766-S770 PolarHBondContact O-OG 3.41Å; T766-E790 HydrophobicContact CG2-CB 3.91Å; T766-E790 VanDerWaalsContact CG2-OE2 3.28Å; T766-E790 WeakPolarHBondContact CG2-OE2 3.26Å; T766-W831 PolarHBondContact OG1-NE1 3.46Å |
| 767 | T | 92.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.1 | -41.3 | 176.7 | -54.2 | 0 | 0 | 0 | 0 | 111.8 | T695 L699 L763 V764 L765 S770 L771 W795 | T695-T767 HydrophobicContact CG2-CG2 4Å; L699-T767 HydrophobicContact CD1-CG2 4.47Å; L699-T767 VanDerWaalsContact CD1-OG1 3.29Å; L699-T767 WeakPolarHBondContact CD1-OG1 3.2Å; L763-T767 PolarHBondContact O-N 3.31Å; L763-T767 PolarHBondContact O-OG1 2.86Å; V764-T767 PolarHBondContact O-N 2.94Å; L765-T767 PolarHBondContact O-N 3.09Å; T767-S770 PolarHBondContact O-OG 3.09Å; T767-L771 WeakPolarHBondContact O-CB 3.4Å; T767-L771 PolarHBondContact O-N 2.81Å; T767-W795 HydrophobicContact CG2-CH2 4.05Å; T767-W795 HydrophobicContact CG2-CZ2 3.81Å; T767-W795 WeakPolarHBondContact O-CZ2 3.48Å |
| 768 | L | 93.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.2 | -43.9 | 175.1 | -75.6 | 174.4 | 0 | 0 | 0 | 111.7 | L692 F752 T756 L759 V764 L765 S770 L771 F772 L817 | L692-L768 HydrophobicContact CD2-CD1 4.43Å; L692-L768 HydrophobicContact CD2-CD2 3.61Å; L692-L768 HydrophobicContact CD2-CG 3.87Å; F752-L768 HydrophobicContact CZ-CD2 4.08Å; T756-L768 HydrophobicContact CG2-CD1 3.78Å; L759-L768 HydrophobicContact CD1-CD1 3.89Å; V764-L768 HydrophobicContact CG1-CD1 4.44Å; V764-L768 WeakPolarHBondContact O-CG 3.46Å; V764-L768 PolarHBondContact O-N 3.29Å; L765-L768 PolarHBondContact O-N 3.46Å; L768-S770 VanDerWaalsContact C-N 3.34Å; L768-S770 PolarHBondContact O-N 3.39Å; L768-L771 PolarHBondContact O-N 2.75Å; L768-F772 VanDerWaalsContact O-CD2 3.31Å; L768-F772 WeakPolarHBondContact O-CD2 3.3Å; L768-F772 PolarHBondContact O-N 3.23Å; L768-L817 HydrophobicContact CB-CD2 3.83Å |
| 769 | I | 93.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.015 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.2 | -47.1 | 176.7 | -71 | 165.7 | 0 | 0 | 0 | 109.8 | L765 T766 L771 F772 V773 L817 V818 A821 W831 T834 | L765-I769 WeakPolarHBondContact O-CB 3.41Å; L765-I769 VanDerWaalsContact O-CG1 3.22Å; L765-I769 WeakPolarHBondContact O-CG1 3.44Å; L765-I769 PolarHBondContact O-N 3.12Å; T766-I769 PolarHBondContact O-N 2.87Å; I769-L771 PolarHBondContact O-N 3.09Å; I769-F772 PolarHBondContact O-N 3.42Å; I769-V773 HydrophobicContact CG2-CG2 4.08Å; I769-V773 WeakPolarHBondContact O-CB 3.31Å; I769-V773 WeakPolarHBondContact O-CG2 3.25Å; I769-V773 PolarHBondContact O-N 3.35Å; I769-L817 HydrophobicContact CB-CD2 4.46Å; I769-L817 HydrophobicContact CG1-CD2 3.73Å; I769-L817 HydrophobicContact CG1-CG 3.73Å; I769-V818 HydrophobicContact CD1-CG2 4.19Å; I769-V818 HydrophobicContact CG1-CG2 4.01Å; I769-V818 HydrophobicContact CG2-CG2 3.86Å; I769-A821 HydrophobicContact CD1-CB 3.88Å; I769-W831 HydrophobicContact CD1-CD2 4.39Å; I769-W831 HydrophobicContact CD1-CG 4.22Å; I769-T834 HydrophobicContact CG2-CG2 4.01Å |
| 770 | S | 92.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.9 | -38.9 | -179.2 | 73.7 | 0 | 0 | 0 | 0 | 113.2 | T766 T767 L768 R774 E790 L792 W795 | T766-S770 WeakPolarHBondContact O-CB 3.43Å; T766-S770 PolarHBondContact O-N 3.5Å; T766-S770 PolarHBondContact O-OG 3.41Å; T767-S770 PolarHBondContact O-OG 3.09Å; L768-S770 VanDerWaalsContact C-N 3.34Å; L768-S770 PolarHBondContact O-N 3.39Å; S770-R774 WeakPolarHBondContact O-CB 3.36Å; S770-R774 PolarHBondContact O-N 2.62Å; S770-E790 WeakPolarHBondContact CB-O 3.35Å; S770-L792 WeakPolarHBondContact O-CD2 3.33Å; S770-W795 PolarHBondContact OG-NE1 2.84Å |
| 771 | L | 93.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.2 | -52.8 | 173.1 | -173.9 | 161.9 | 0 | 0 | 0 | 110.4 | L712 W713 V716 T767 L768 I769 R774 L775 W795 | L712-L771 HydrophobicContact CD2-CD1 4.22Å; L712-L771 HydrophobicContact CG-CD1 3.87Å; W713-L771 HydrophobicContact CE3-CD2 4.4Å; W713-L771 HydrophobicContact CE3-CG 4.06Å; W713-L771 HydrophobicContact CZ3-CG 4.45Å; V716-L771 HydrophobicContact CB-CD1 4.17Å; V716-L771 HydrophobicContact CB-CD2 3.9Å; V716-L771 HydrophobicContact CG1-CD2 3.5Å; V716-L771 HydrophobicContact CG2-CD1 3.95Å; V716-L771 HydrophobicContact CG2-CD2 4.4Å; T767-L771 WeakPolarHBondContact O-CB 3.4Å; T767-L771 PolarHBondContact O-N 2.81Å; L768-L771 PolarHBondContact O-N 2.75Å; I769-L771 PolarHBondContact O-N 3.09Å; L771-R774 PolarHBondContact O-N 3.11Å; L771-L775 WeakPolarHBondContact O-CB 3.08Å; L771-L775 PolarHBondContact O-N 3.14Å; L771-W795 HydrophobicContact CB-CD2 4.3Å; L771-W795 HydrophobicContact CB-CH2 3.91Å; L771-W795 HydrophobicContact CB-CZ2 3.57Å; L771-W795 HydrophobicContact CB-CZ3 4.37Å; L771-W795 HydrophobicContact CD1-CE3 4.37Å; L771-W795 HydrophobicContact CD1-CH2 3.66Å; L771-W795 HydrophobicContact CD1-CZ2 4.22Å; L771-W795 HydrophobicContact CD1-CZ3 3.72Å; L771-W795 HydrophobicContact CG-CD2 4.42Å; L771-W795 HydrophobicContact CG-CE3 4.28Å; L771-W795 HydrophobicContact CG-CH2 4.06Å; L771-W795 HydrophobicContact CG-CZ2 4.19Å; L771-W795 HydrophobicContact CG-CZ3 4.08Å |
| 772 | F | 92.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.3 | -36.1 | -176.8 | -89.8 | -72.2 | 0 | 0 | 0 | 112.7 | V716 F752 L768 I769 L775 H776 T813 V814 L817 | V716-F772 HydrophobicContact CG1-CE1 4Å; V716-F772 HydrophobicContact CG1-CE2 3.88Å; V716-F772 HydrophobicContact CG1-CZ 3.46Å; V716-F772 VanDerWaalsContact CG1-CZ 3.46Å; F752-F772 HydrophobicContact CD1-CZ 4.39Å; F752-F772 AromaticContact CE1-CE2 3.49Å; F752-F772 HydrophobicContact CE1-CE2 3.49Å; F752-F772 VanDerWaalsContact CE1-CE2 3.49Å; F752-F772 AromaticContact CE1-CZ 3.58Å; F752-F772 HydrophobicContact CE1-CZ 3.58Å; F752-F772 AromaticContact CZ-CE2 3.69Å; F752-F772 HydrophobicContact CZ-CE2 3.69Å; F752-F772 HydrophobicContact CZ-CZ 4.03Å; L768-F772 VanDerWaalsContact O-CD2 3.31Å; L768-F772 WeakPolarHBondContact O-CD2 3.3Å; L768-F772 PolarHBondContact O-N 3.23Å; I769-F772 PolarHBondContact O-N 3.42Å; F772-L775 PolarHBondContact O-N 2.81Å; F772-H776 VanDerWaalsContact O-CB 3.26Å; F772-H776 WeakPolarHBondContact O-CB 3.44Å; F772-H776 PolarHBondContact O-N 3.29Å; F772-T813 HydrophobicContact CD1-CG2 3.75Å; F772-T813 HydrophobicContact CD2-CG2 4.35Å; F772-T813 HydrophobicContact CE1-CG2 3.35Å; F772-T813 HydrophobicContact CE2-CG2 4.03Å; F772-T813 HydrophobicContact CG-CG2 4.24Å; F772-T813 HydrophobicContact CZ-CG2 3.52Å; F772-V814 HydrophobicContact CB-CG2 3.68Å; F772-V814 HydrophobicContact CD1-CG2 4.33Å; F772-V814 HydrophobicContact CG-CG2 4.41Å; F772-V814 WeakPolarHBondContact O-CG2 3.47Å; F772-L817 HydrophobicContact CD2-CD2 3.99Å |
| 773 | V | 91.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.9 | -45.8 | 172.8 | 167.3 | 0 | 0 | 0 | 0 | 110.4 | I769 L775 H776 S777 V787 A789 L792 V814 T834 | I769-V773 HydrophobicContact CG2-CG2 4.08Å; I769-V773 WeakPolarHBondContact O-CB 3.31Å; I769-V773 WeakPolarHBondContact O-CG2 3.25Å; I769-V773 PolarHBondContact O-N 3.35Å; V773-L775 PolarHBondContact O-N 3.28Å; V773-H776 WeakPolarHBondContact O-CB 3.42Å; V773-H776 PolarHBondContact O-N 3.49Å; V773-S777 PolarHBondContact O-N 2.94Å; V773-S777 PolarHBondContact O-OG 3.44Å; V773-S777 VanDerWaalsContact O-OG 3.12Å; V773-V787 HydrophobicContact CG1-CB 3.88Å; V773-V787 HydrophobicContact CG1-CG1 3.73Å; V773-V787 VanDerWaalsContact CG1-O 3.23Å; V773-V787 WeakPolarHBondContact CG1-O 3.46Å; V773-V787 HydrophobicContact CG2-CG1 4.04Å; V773-A789 HydrophobicContact CB-CB 4.01Å; V773-A789 HydrophobicContact CG1-CB 3.91Å; V773-A789 HydrophobicContact CG2-CB 4.09Å; V773-L792 HydrophobicContact CB-CD2 4.39Å; V773-L792 HydrophobicContact CG1-CD2 4.01Å; V773-V814 HydrophobicContact CG2-CG1 4.07Å; V773-T834 HydrophobicContact CG2-CG2 3.69Å |
| 774 | R | 90.6 | Very high | 86.1 | Confident | 54 Ų | 54 | 33.1 Ų | 33.1 | 20% | 0.204 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 176.1 | -177.7 | 62.1 | 169.6 | 172.7 | -7.6 | 111.9 | W713 S770 L771 H776 S777 I778 L792 W795 P796 S797 | W713-R774 HydrophobicContact CH2-CB 4.22Å; W713-R774 HydrophobicContact CH2-CG 3.77Å; W713-R774 HydrophobicContact CZ3-CB 3.92Å; W713-R774 HydrophobicContact CZ3-CG 3.8Å; S770-R774 WeakPolarHBondContact O-CB 3.36Å; S770-R774 PolarHBondContact O-N 2.62Å; L771-R774 PolarHBondContact O-N 3.11Å; R774-H776 VanDerWaalsContact C-N 3.33Å; R774-H776 PolarHBondContact O-N 2.93Å; R774-S777 PolarHBondContact O-N 3.44Å; R774-I778 HydrophobicContact CG-CD1 4.16Å; R774-I778 WeakPolarHBondContact O-CG1 3.34Å; R774-I778 PolarHBondContact O-N 3.21Å; R774-I778 VanDerWaalsContact O-N 3.09Å; R774-L792 HydrophobicContact CB-CD2 3.95Å; R774-W795 HydrophobicContact CB-CB 4.19Å; R774-W795 HydrophobicContact CB-CG 4.3Å; R774-W795 HydrophobicContact CG-CB 3.75Å; R774-W795 HydrophobicContact CG-CG 4.39Å; R774-P796 PolarHBondContact NE-O 2.75Å; R774-S797 VanDerWaalsContact NH2-CA 3.29Å; R774-S797 VanDerWaalsContact NH2-CB 3.27Å |
| 775 | L | 89.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.9 | -43.8 | 176.7 | -178 | 56.8 | 0 | 0 | 0 | 111.4 | W713 V717 L771 F772 V773 S777 I778 V779 L799 V810 | W713-L775 HydrophobicContact CH2-CB 3.91Å; W713-L775 HydrophobicContact CH2-CD1 4.15Å; W713-L775 HydrophobicContact CZ2-CD1 4.18Å; W713-L775 HydrophobicContact CZ3-CB 4.15Å; V717-L775 HydrophobicContact CG2-CD1 3.87Å; V717-L775 HydrophobicContact CG2-CD2 4.3Å; L771-L775 WeakPolarHBondContact O-CB 3.08Å; L771-L775 PolarHBondContact O-N 3.14Å; F772-L775 PolarHBondContact O-N 2.81Å; V773-L775 PolarHBondContact O-N 3.28Å; L775-S777 PolarHBondContact O-N 2.83Å; L775-I778 PolarHBondContact O-N 3.22Å; L775-V779 HydrophobicContact CD1-CG2 3.94Å; L775-V779 HydrophobicContact CG-CG2 4.48Å; L775-V779 WeakPolarHBondContact O-CB 3.34Å; L775-V779 WeakPolarHBondContact O-CG2 3.31Å; L775-V779 PolarHBondContact O-N 3.28Å; L775-V779 VanDerWaalsContact O-N 3.09Å; L775-L799 HydrophobicContact CD1-CD1 3.75Å; L775-L799 HydrophobicContact CD1-CD2 4.45Å; L775-V810 HydrophobicContact CB-CG1 4.41Å; L775-V810 HydrophobicContact CD2-CG1 4.25Å; L775-V810 HydrophobicContact CD2-CG2 3.89Å; L775-V810 HydrophobicContact CG-CG1 4Å; L775-V810 HydrophobicContact CG-CG2 4.14Å |
| 776 | H | 89.1 | Confident | 84.6 | Confident | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.065 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60 | -45.1 | 175.8 | 176.5 | -94.2 | 0 | 0 | 0 | 112.1 | F772 V773 R774 V779 R780 V810 V814 | F772-H776 VanDerWaalsContact O-CB 3.26Å; F772-H776 WeakPolarHBondContact O-CB 3.44Å; F772-H776 PolarHBondContact O-N 3.29Å; V773-H776 WeakPolarHBondContact O-CB 3.42Å; V773-H776 PolarHBondContact O-N 3.49Å; R774-H776 VanDerWaalsContact C-N 3.33Å; R774-H776 PolarHBondContact O-N 2.93Å; H776-V779 PolarHBondContact O-N 3.43Å; H776-R780 PolarHBondContact NE2-NE 3.34Å; H776-R780 PolarHBondContact O-N 3.07Å; H776-R780 VanDerWaalsContact O-N 3.09Å; H776-V810 HydrophobicContact CB-CG1 4Å; H776-V814 HydrophobicContact CB-CG2 4.05Å |
| 777 | S | 87.7 | Confident | 84.2 | Confident | 20 Ų | 20 | 38.7 Ų | 38.7 | 14% | 0.14 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63 | -42.5 | 178.9 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | V773 R774 L775 D781 | V773-S777 PolarHBondContact O-N 2.94Å; V773-S777 PolarHBondContact O-OG 3.44Å; V773-S777 VanDerWaalsContact O-OG 3.12Å; R774-S777 PolarHBondContact O-N 3.44Å; L775-S777 PolarHBondContact O-N 2.83Å; S777-D781 PolarHBondContact O-N 2.9Å |
| 778 | I | 87.1 | Confident | 83.9 | Confident | 25 Ų | 25 | 40.5 Ų | 40.5 | 13% | 0.128 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.7 | -40.6 | 178.9 | -64.1 | 170.7 | 0 | 0 | 0 | 111.5 | W713 R774 L775 L799 | W713-I778 HydrophobicContact CH2-CD1 3.75Å; W713-I778 HydrophobicContact CZ2-CD1 3.76Å; R774-I778 HydrophobicContact CG-CD1 4.16Å; R774-I778 WeakPolarHBondContact O-CG1 3.34Å; R774-I778 PolarHBondContact O-N 3.21Å; R774-I778 VanDerWaalsContact O-N 3.09Å; L775-I778 PolarHBondContact O-N 3.22Å; I778-L799 HydrophobicContact CB-CD1 4.31Å; I778-L799 HydrophobicContact CG2-CB 4.39Å; I778-L799 HydrophobicContact CG2-CD1 3.68Å; I778-L799 HydrophobicContact CG2-CG 3.93Å |
| 779 | V | 84.1 | Confident | 83.5 | Confident | 14 Ų | 14 | 41.4 Ų | 41.4 | 9% | 0.085 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -78.1 | -27.7 | -173.3 | 178.1 | 0 | 0 | 0 | 0 | 112.4 | L775 H776 L799 V805 V807 | L775-V779 HydrophobicContact CD1-CG2 3.94Å; L775-V779 HydrophobicContact CG-CG2 4.48Å; L775-V779 WeakPolarHBondContact O-CB 3.34Å; L775-V779 WeakPolarHBondContact O-CG2 3.31Å; L775-V779 PolarHBondContact O-N 3.28Å; L775-V779 VanDerWaalsContact O-N 3.09Å; H776-V779 PolarHBondContact O-N 3.43Å; V779-L799 HydrophobicContact CG2-CD1 3.87Å; V779-V805 HydrophobicContact CG2-CB 4.43Å; V779-V805 HydrophobicContact CG2-CG1 3.96Å; V779-V807 HydrophobicContact CG1-CB 3.79Å; V779-V807 HydrophobicContact CG1-CG1 3.81Å; V779-V807 HydrophobicContact CG1-CG2 3.32Å |
| 780 | R | 78.3 | Confident | 83 | Confident | 102 Ų | 102 | 45.4 Ų | 45.4 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -79.6 | -22.3 | 175.1 | -85.2 | -155.9 | 178.5 | -147.1 | -1.5 | 114.5 | H776 D782 V807 | H776-R780 PolarHBondContact NE2-NE 3.34Å; H776-R780 PolarHBondContact O-N 3.07Å; H776-R780 VanDerWaalsContact O-N 3.09Å; R780-D782 PolarHBondContact O-N 3.19Å; R780-V807 HydrophobicContact CG-CG1 4.38Å |
| 781 | D | 71.1 | Confident | 82.6 | Confident | 136 Ų | 136 | 48.6 Ų | 48.6 | 73% | 0.727 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 35.3 | -178.6 | -157 | 27.8 | 0 | 0 | 0 | 113.8 | S777 | S777-D781 PolarHBondContact O-N 2.9Š|
| 782 | D | 70.1 | Confident | 82.2 | Confident | 57 Ų | 57 | 51 Ų | 51 | 31% | 0.305 | 26% | 0.261 | S | S | . | . | trans | -109.8 | 88.5 | 177.7 | -174 | -7 | 0 | 0 | 0 | 110.2 | R780 V784 N785 | R780-D782 PolarHBondContact O-N 3.19Å; D782-V784 PolarHBondContact O-N 3.26Å; D782-V784 PolarHBondContact OD1-N 3.4Å; D782-V784 VanDerWaalsContact OD1-N 3.11Å; D782-N785 PolarHBondContact O-N 3.48Å; D782-N785 PolarHBondContact OD1-N 2.83Å; D782-N785 WeakPolarHBondContact OD2-CB 2.97Å; D782-N785 PolarHBondContact OD2-ND2 3.08Å | ||
| 783 | I | 64.6 | Low | 81.7 | Confident | 137 Ų | 137 | 55.8 Ų | 55.8 | 70% | 0.703 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22.7 | -179.1 | -59.5 | 160.2 | 0 | 0 | 0 | 111.6 | ||
| 784 | V | 65.8 | Low | 81.5 | Confident | 117 Ų | 117 | 56.8 Ų | 56.8 | 71% | 0.709 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -32.5 | -175.1 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | D782 | D782-V784 PolarHBondContact O-N 3.26Å; D782-V784 PolarHBondContact OD1-N 3.4Å; D782-V784 VanDerWaalsContact OD1-N 3.11Å |
| 785 | N | 73.7 | Confident | 81.4 | Confident | 38 Ų | 38 | 54.9 Ų | 54.9 | 20% | 0.203 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -114.5 | 45.6 | -174.2 | -59.7 | -55.3 | 0 | 0 | 0 | 113.1 | D782 V787 V841 | D782-N785 PolarHBondContact O-N 3.48Å; D782-N785 PolarHBondContact OD1-N 2.83Å; D782-N785 WeakPolarHBondContact OD2-CB 2.97Å; D782-N785 PolarHBondContact OD2-ND2 3.08Å; N785-V787 PolarHBondContact O-N 3.47Å; N785-V841 HydrophobicContact CB-CG2 3.97Å; N785-V841 VanDerWaalsContact O-CG2 3.26Å; N785-V841 WeakPolarHBondContact O-CG2 3.33Å |
| 786 | E | 80.4 | Confident | 81.3 | Confident | 89 Ų | 89 | 56.6 Ų | 56.6 | 42% | 0.416 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 129 | 178.4 | -69.7 | -166 | 155.2 | 0 | 0 | 112.6 | R879 | E786-R879 PolarHBondContact O-NH1 3.31Å; E786-R879 VanDerWaalsContact O-NH1 3.13Å; E786-R879 PolarHBondContact O-NH2 3.45Å |
| 787 | V | 86.4 | Confident | 81 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 131.6 | 175.9 | 175.1 | 0 | 0 | 0 | 0 | 109.4 | V773 N785 T834 D837 I838 V841 | V773-V787 HydrophobicContact CG1-CB 3.88Å; V773-V787 HydrophobicContact CG1-CG1 3.73Å; V773-V787 VanDerWaalsContact CG1-O 3.23Å; V773-V787 WeakPolarHBondContact CG1-O 3.46Å; V773-V787 HydrophobicContact CG2-CG1 4.04Å; N785-V787 PolarHBondContact O-N 3.47Å; V787-T834 HydrophobicContact CG1-CG2 3.97Å; V787-D837 HydrophobicContact CB-CB 4.31Å; V787-D837 HydrophobicContact CG1-CB 3.86Å; V787-D837 HydrophobicContact CG2-CB 4.34Å; V787-I838 HydrophobicContact CG1-CG1 4Å; V787-I838 HydrophobicContact CG2-CG1 4.41Å; V787-V841 HydrophobicContact CG2-CG2 3.78Å |
| 788 | T | 85.8 | Confident | 80.8 | Confident | 38 Ų | 38 | 63.3 Ų | 63.3 | 23% | 0.233 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 143 | -179.9 | 65.1 | 0 | 0 | 0 | 0 | 111.5 | V833 T834 D837 | T788-V833 WeakPolarHBondContact OG1-CG1 3.3Å; T788-T834 WeakPolarHBondContact O-CB 3.21Å; T788-T834 PolarHBondContact O-OG1 3.03Å; T788-D837 VanDerWaalsContact CB-OD2 3.27Å; T788-D837 WeakPolarHBondContact CB-OD2 3.47Å; T788-D837 WeakPolarHBondContact CG2-OD2 3.44Å; T788-D837 PolarHBondContact N-OD2 3.04Å; T788-D837 PolarHBondContact OG1-OD2 3.41Å |
| 789 | A | 85.6 | Confident | 80.7 | Confident | 22 Ų | 22 | 63 Ų | 63 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | trans | -156 | 161.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | V773 L792 | V773-A789 HydrophobicContact CB-CB 4.01Å; V773-A789 HydrophobicContact CG1-CB 3.91Å; V773-A789 HydrophobicContact CG2-CB 4.09Å; A789-L792 HydrophobicContact CB-CD1 4.32Å; A789-L792 HydrophobicContact CB-CD2 4.11Å; A789-L792 HydrophobicContact CB-CG 4.1Å; A789-L792 WeakPolarHBondContact O-CD1 3.47Å; A789-L792 WeakPolarHBondContact O-CG 3.28Å | ||
| 790 | E | 83.4 | Confident | 80.4 | Confident | 86 Ų | 86 | 68.8 Ų | 68.8 | 40% | 0.402 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 156.2 | 174 | -63.3 | -176.2 | 161.6 | 0 | 0 | 111.6 | T766 S770 L792 A830 | T766-E790 HydrophobicContact CG2-CB 3.91Å; T766-E790 VanDerWaalsContact CG2-OE2 3.28Å; T766-E790 WeakPolarHBondContact CG2-OE2 3.26Å; S770-E790 WeakPolarHBondContact CB-O 3.35Å; E790-L792 PolarHBondContact O-N 3.27Å; E790-L792 VanDerWaalsContact O-N 3.1Å; E790-A830 HydrophobicContact CG-CB 3.96Å; E790-A830 WeakPolarHBondContact OE1-CB 3.33Å |
| 791 | H | 83.4 | Confident | 80.4 | Confident | 68 Ų | 68 | 68 Ų | 68 | 32% | 0.315 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 22.4 | 173.9 | -48.3 | 106.5 | 0 | 0 | 0 | 116.1 | L699 S793 I794 | L699-H791 HydrophobicContact CD2-CB 4.09Å; H791-S793 PolarHBondContact O-N 3.33Å; H791-S793 VanDerWaalsContact O-N 3.16Å; H791-I794 HydrophobicContact CB-CD1 4.18Å; H791-I794 WeakPolarHBondContact O-CG1 3.5Å; H791-I794 PolarHBondContact O-N 2.82Å |
| 792 | L | 84.2 | Confident | 80.9 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -60.6 | -25.9 | -179.5 | -75 | 173.2 | 0 | 0 | 0 | 114.4 | S770 V773 R774 A789 E790 I794 W795 | S770-L792 WeakPolarHBondContact O-CD2 3.33Å; V773-L792 HydrophobicContact CB-CD2 4.39Å; V773-L792 HydrophobicContact CG1-CD2 4.01Å; R774-L792 HydrophobicContact CB-CD2 3.95Å; A789-L792 HydrophobicContact CB-CD1 4.32Å; A789-L792 HydrophobicContact CB-CD2 4.11Å; A789-L792 HydrophobicContact CB-CG 4.1Å; A789-L792 WeakPolarHBondContact O-CD1 3.47Å; A789-L792 WeakPolarHBondContact O-CG 3.28Å; E790-L792 PolarHBondContact O-N 3.27Å; E790-L792 VanDerWaalsContact O-N 3.1Å; L792-I794 VanDerWaalsContact C-N 3.27Å; L792-I794 PolarHBondContact O-N 2.88Å; L792-W795 PolarHBondContact O-N 3.36Å |
| 793 | S | 83.7 | Confident | 81.4 | Confident | 102 Ų | 102 | 71 Ų | 71 | 71% | 0.713 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -72.4 | -12.2 | -174.1 | 56.9 | 0 | 0 | 0 | 0 | 115.2 | H791 | H791-S793 PolarHBondContact O-N 3.33Å; H791-S793 VanDerWaalsContact O-N 3.16Å |
| 794 | I | 86.3 | Confident | 82.1 | Confident | 22 Ų | 22 | 65 Ų | 65 | 11% | 0.113 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -83.6 | -19.5 | -179.2 | 74.8 | -170.8 | 0 | 0 | 0 | 112.6 | L699 A709 H791 L792 | L699-I794 HydrophobicContact CD2-CD1 3.39Å; L699-I794 HydrophobicContact CD2-CG2 4.45Å; A709-I794 HydrophobicContact CB-CG1 4.4Å; H791-I794 HydrophobicContact CB-CD1 4.18Å; H791-I794 WeakPolarHBondContact O-CG1 3.5Å; H791-I794 PolarHBondContact O-N 2.82Å; L792-I794 VanDerWaalsContact C-N 3.27Å; L792-I794 PolarHBondContact O-N 2.88Å |
| 795 | W | 88.9 | Confident | 83 | Confident | 13 Ų | 13 | 59.9 Ų | 59.9 | 5% | 0.049 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -89.8 | 150.2 | -172.9 | -58.2 | 117.7 | 0 | 0 | 0 | 112.2 | T695 A709 L712 W713 T767 S770 L771 R774 L792 | T695-W795 HydrophobicContact CG2-CH2 4.19Å; A709-W795 HydrophobicContact CB-CE3 4.05Å; A709-W795 HydrophobicContact CB-CH2 4.39Å; A709-W795 HydrophobicContact CB-CZ3 3.77Å; A709-W795 VanDerWaalsContact O-CZ3 3.31Å; A709-W795 WeakPolarHBondContact O-CZ3 3.47Å; L712-W795 HydrophobicContact CD2-CH2 4Å; L712-W795 HydrophobicContact CD2-CZ3 4.48Å; W713-W795 HydrophobicContact CB-CE3 4.2Å; W713-W795 HydrophobicContact CB-CZ3 4.42Å; W713-W795 HydrophobicContact CE3-CB 4.12Å; W713-W795 HydrophobicContact CE3-CD2 4.22Å; W713-W795 AromaticContact CE3-CE3 3.92Å; W713-W795 HydrophobicContact CE3-CE3 3.92Å; W713-W795 HydrophobicContact CE3-CG 4.31Å; W713-W795 HydrophobicContact CZ3-CB 4.11Å; W713-W795 HydrophobicContact CZ3-CG 4.39Å; T767-W795 HydrophobicContact CG2-CH2 4.05Å; T767-W795 HydrophobicContact CG2-CZ2 3.81Å; T767-W795 WeakPolarHBondContact O-CZ2 3.48Å; S770-W795 PolarHBondContact OG-NE1 2.84Å; L771-W795 HydrophobicContact CB-CD2 4.3Å; L771-W795 HydrophobicContact CB-CH2 3.91Å; L771-W795 HydrophobicContact CB-CZ2 3.57Å; L771-W795 HydrophobicContact CB-CZ3 4.37Å; L771-W795 HydrophobicContact CD1-CE3 4.37Å; L771-W795 HydrophobicContact CD1-CH2 3.66Å; L771-W795 HydrophobicContact CD1-CZ2 4.22Å; L771-W795 HydrophobicContact CD1-CZ3 3.72Å; L771-W795 HydrophobicContact CG-CD2 4.42Å; L771-W795 HydrophobicContact CG-CE3 4.28Å; L771-W795 HydrophobicContact CG-CH2 4.06Å; L771-W795 HydrophobicContact CG-CZ2 4.19Å; L771-W795 HydrophobicContact CG-CZ3 4.08Å; R774-W795 HydrophobicContact CB-CB 4.19Å; R774-W795 HydrophobicContact CB-CG 4.3Å; R774-W795 HydrophobicContact CG-CB 3.75Å; R774-W795 HydrophobicContact CG-CG 4.39Å; L792-W795 PolarHBondContact O-N 3.36Å |
| 796 | P | 87.5 | Confident | 83.5 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 24% | 0.24 | 34% | 0.338 | C | S | . | . | trans | -55 | 152 | 173.6 | -25.9 | 35.7 | 0 | 0 | 0 | 113.5 | W713 R774 | W713-P796 HydrophobicContact CB-CG 4.45Å; W713-P796 HydrophobicContact CD2-CG 4.2Å; W713-P796 HydrophobicContact CG-CG 3.91Å; R774-P796 PolarHBondContact NE-O 2.75Å | ||
| 797 | S | 83.4 | Confident | 83.8 | Confident | 88 Ų | 88 | 57.9 Ų | 57.9 | 62% | 0.615 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -96.9 | -11.7 | 178.8 | 52.7 | 0 | 0 | 0 | 0 | 115 | R774 | R774-S797 VanDerWaalsContact NH2-CA 3.29Å; R774-S797 VanDerWaalsContact NH2-CB 3.27Å |
| 798 | S | 83.2 | Confident | 83.6 | Confident | 87 Ų | 87 | 64 Ų | 64 | 61% | 0.608 | 37% | 0.365 | S | S | * | . | trans | -136.3 | 156.3 | -179.3 | 62.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 799 | L | 84.1 | Confident | 83.6 | Confident | 17 Ų | 17 | 62.2 Ų | 62.2 | 9% | 0.089 | 35% | 0.354 | C | S | . | . | trans | -117 | 132.8 | 178.8 | -77.3 | 171.8 | 0 | 0 | 0 | 110.5 | W713 V717 L775 I778 V779 N801 I802 | W713-L799 HydrophobicContact CZ2-CD2 3.67Å; W713-L799 HydrophobicContact CZ2-CG 4.18Å; V717-L799 HydrophobicContact CG1-CD2 4.04Å; V717-L799 HydrophobicContact CG2-CD2 3.85Å; L775-L799 HydrophobicContact CD1-CD1 3.75Å; L775-L799 HydrophobicContact CD1-CD2 4.45Å; I778-L799 HydrophobicContact CB-CD1 4.31Å; I778-L799 HydrophobicContact CG2-CB 4.39Å; I778-L799 HydrophobicContact CG2-CD1 3.68Å; I778-L799 HydrophobicContact CG2-CG 3.93Å; V779-L799 HydrophobicContact CG2-CD1 3.87Å; L799-N801 VanDerWaalsContact C-N 3.34Å; L799-N801 PolarHBondContact O-N 2.92Å; L799-I802 HydrophobicContact CB-CD1 4.42Å; L799-I802 HydrophobicContact CB-CG1 3.65Å; L799-I802 HydrophobicContact CD1-CG1 4.3Å | ||
| 800 | P | 77.9 | Confident | 83.7 | Confident | 137 Ų | 137 | 61.2 Ų | 61.2 | 89% | 0.89 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -65 | -32.8 | 179 | -21.6 | 31.8 | 0 | 0 | 0 | 114.2 | ||
| 801 | N | 79.8 | Confident | 83.9 | Confident | 86 Ų | 86 | 58.4 Ų | 58.4 | 46% | 0.46 | 34% | 0.336 | S | S | . | . | trans | -140.9 | 77.9 | -176.8 | -171.1 | 0.1 | 0 | 0 | 0 | 111.9 | L799 Q803 A804 | L799-N801 VanDerWaalsContact C-N 3.34Å; L799-N801 PolarHBondContact O-N 2.92Å; N801-Q803 VanDerWaalsContact C-N 3.27Å; N801-Q803 PolarHBondContact O-N 3.02Å; N801-A804 PolarHBondContact O-N 3.28Å; N801-A804 PolarHBondContact OD1-N 3.02Å | ||
| 802 | I | 81.5 | Confident | 84.1 | Confident | 83 Ų | 83 | 57.7 Ų | 57.7 | 43% | 0.426 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -62.3 | -33.6 | 179.6 | -67.9 | 169.6 | 0 | 0 | 0 | 111.8 | L799 A804 V805 | L799-I802 HydrophobicContact CB-CD1 4.42Å; L799-I802 HydrophobicContact CB-CG1 3.65Å; L799-I802 HydrophobicContact CD1-CG1 4.3Å; I802-A804 PolarHBondContact O-N 3.06Å; I802-V805 PolarHBondContact O-N 2.73Å |
| 803 | Q | 78.8 | Confident | 84.4 | Confident | 172 Ų | 172 | 55.4 Ų | 55.4 | 80% | 0.804 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -68.7 | -20.7 | -175.5 | -65.6 | -169.6 | -1.9 | 0 | 0 | 114.2 | N801 | N801-Q803 VanDerWaalsContact C-N 3.27Å; N801-Q803 PolarHBondContact O-N 3.02Å |
| 804 | A | 80.5 | Confident | 84.7 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 8% | 0.083 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -83.4 | -18.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S721 V722 N801 I802 | S721-A804 CarbonylContact C-O 3.52Å; S721-A804 VanDerWaalsContact CA-O 3.27Å; S721-A804 WeakPolarHBondContact CA-O 3.47Å; V722-A804 PolarHBondContact N-O 2.65Å; N801-A804 PolarHBondContact O-N 3.28Å; N801-A804 PolarHBondContact OD1-N 3.02Å; I802-A804 PolarHBondContact O-N 3.06Å |
| 805 | V | 85 | Confident | 84.9 | Confident | 11 Ų | 11 | 53.7 Ų | 53.7 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -82.7 | 132.5 | -176.6 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | V717 V779 I802 V807 V810 | V717-V805 HydrophobicContact CG1-CG2 4.13Å; V779-V805 HydrophobicContact CG2-CB 4.43Å; V779-V805 HydrophobicContact CG2-CG1 3.96Å; I802-V805 PolarHBondContact O-N 2.73Å; V805-V807 PolarHBondContact O-N 3.12Å; V805-V810 HydrophobicContact CG1-CG2 3.96Å |
| 806 | D | 84.4 | Confident | 85 | Confident | 22 Ų | 22 | 56.1 Ų | 56.1 | 12% | 0.118 | 32% | 0.316 | C | S | . | . | trans | -84.7 | 105.2 | 175.8 | -173.3 | -21.8 | 0 | 0 | 0 | 110.8 | C720 G735 L736 E808 A809 V810 | C720-D806 PolarHBondContact O-N 2.94Å; C720-D806 VanDerWaalsContact O-N 3.08Å; G735-D806 WeakPolarHBondContact CA-OD2 3.48Å; L736-D806 HydrophobicContact CB-CB 4.41Å; L736-D806 HydrophobicContact CD1-CB 3.84Å; L736-D806 HydrophobicContact CG-CB 4.37Å; L736-D806 PolarHBondContact N-OD2 3.48Å; D806-E808 VanDerWaalsContact C-N 3.31Å; D806-E808 PolarHBondContact O-N 3.27Å; D806-E808 PolarHBondContact OD1-N 2.94Å; D806-E808 VanDerWaalsContact OD1-N 3.12Å; D806-A809 HydrophobicContact CB-CB 3.78Å; D806-A809 PolarHBondContact O-N 2.98Å; D806-A809 PolarHBondContact OD1-N 3.47Å; D806-V810 WeakPolarHBondContact O-CG2 3.28Å; D806-V810 PolarHBondContact O-N 2.7Å; D806-V810 VanDerWaalsContact O-N 3.11Å | ||
| 807 | V | 84.9 | Confident | 85.3 | Confident | 63 Ų | 63 | 54.9 Ų | 54.9 | 38% | 0.382 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.8 | -42 | -177.8 | -171.3 | 0 | 0 | 0 | 0 | 112.4 | V779 R780 V805 V810 A811 | V779-V807 HydrophobicContact CG1-CB 3.79Å; V779-V807 HydrophobicContact CG1-CG1 3.81Å; V779-V807 HydrophobicContact CG1-CG2 3.32Å; R780-V807 HydrophobicContact CG-CG1 4.38Å; V805-V807 PolarHBondContact O-N 3.12Å; V807-V810 PolarHBondContact O-N 2.78Å; V807-A811 PolarHBondContact O-N 3.05Å; V807-A811 VanDerWaalsContact O-N 3.1Å |
| 808 | E | 84.1 | Confident | 85.7 | Confident | 132 Ų | 132 | 50.7 Ų | 50.7 | 62% | 0.617 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -72 | -40.9 | -176.5 | -166.9 | 178.3 | 177.5 | 0 | 0 | 110.2 | I737 D806 V810 A811 V812 | I737-E808 HydrophobicContact CD1-CB 4Å; I737-E808 HydrophobicContact CD1-CG 3.68Å; D806-E808 VanDerWaalsContact C-N 3.31Å; D806-E808 PolarHBondContact O-N 3.27Å; D806-E808 PolarHBondContact OD1-N 2.94Å; D806-E808 VanDerWaalsContact OD1-N 3.12Å; E808-V810 VanDerWaalsContact C-N 3.3Å; E808-V810 PolarHBondContact O-N 2.76Å; E808-A811 PolarHBondContact O-N 3.42Å; E808-V812 WeakPolarHBondContact O-CG2 3.45Å; E808-V812 PolarHBondContact O-N 3.02Å |
| 809 | A | 84.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62 | -36.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L736 I737 R749 D806 T813 | L736-A809 HydrophobicContact CB-CB 4.18Å; I737-A809 HydrophobicContact CG1-CB 4.32Å; R749-A809 PolarHBondContact NE-O 3.17Å; D806-A809 HydrophobicContact CB-CB 3.78Å; D806-A809 PolarHBondContact O-N 2.98Å; D806-A809 PolarHBondContact OD1-N 3.47Å; A809-T813 WeakPolarHBondContact O-CB 3.41Å; A809-T813 PolarHBondContact O-N 3.35Å; A809-T813 VanDerWaalsContact O-N 3.1Å; A809-T813 PolarHBondContact O-OG1 3.05Å |
| 810 | V | 88.5 | Confident | 86.7 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.4 | -49.2 | 174.3 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | C720 L775 H776 V805 D806 V807 E808 V812 T813 V814 | C720-V810 HydrophobicContact CB-CG2 3.97Å; L775-V810 HydrophobicContact CB-CG1 4.41Å; L775-V810 HydrophobicContact CD2-CG1 4.25Å; L775-V810 HydrophobicContact CD2-CG2 3.89Å; L775-V810 HydrophobicContact CG-CG1 4Å; L775-V810 HydrophobicContact CG-CG2 4.14Å; H776-V810 HydrophobicContact CB-CG1 4Å; V805-V810 HydrophobicContact CG1-CG2 3.96Å; D806-V810 WeakPolarHBondContact O-CG2 3.28Å; D806-V810 PolarHBondContact O-N 2.7Å; D806-V810 VanDerWaalsContact O-N 3.11Å; V807-V810 PolarHBondContact O-N 2.78Å; E808-V810 VanDerWaalsContact C-N 3.3Å; E808-V810 PolarHBondContact O-N 2.76Å; V810-V812 PolarHBondContact O-N 3.36Å; V810-T813 PolarHBondContact O-N 3.3Å; V810-V814 HydrophobicContact CG1-CG2 4.25Å; V810-V814 WeakPolarHBondContact O-CG2 3.38Å; V810-V814 PolarHBondContact O-N 2.9Å |
| 811 | A | 86.1 | Confident | 87.5 | Confident | 26 Ų | 26 | 42.9 Ų | 42.9 | 22% | 0.215 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -43.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V807 E808 K815 | V807-A811 PolarHBondContact O-N 3.05Å; V807-A811 VanDerWaalsContact O-N 3.1Å; E808-A811 PolarHBondContact O-N 3.42Å; A811-K815 PolarHBondContact O-N 3.38Å |
| 812 | V | 88.4 | Confident | 88.2 | Confident | 54 Ų | 54 | 39.6 Ų | 39.6 | 33% | 0.327 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.6 | -42.4 | 176.6 | 175.8 | 0 | 0 | 0 | 0 | 111 | E808 V810 K815 E816 | E808-V812 WeakPolarHBondContact O-CG2 3.45Å; E808-V812 PolarHBondContact O-N 3.02Å; V810-V812 PolarHBondContact O-N 3.36Å; V812-K815 PolarHBondContact O-N 3.1Å; V812-E816 HydrophobicContact CG1-CG 4.34Å; V812-E816 VanDerWaalsContact CG1-OE1 3.24Å; V812-E816 WeakPolarHBondContact CG1-OE1 3.28Å; V812-E816 WeakPolarHBondContact O-CB 3.41Å; V812-E816 WeakPolarHBondContact O-CG 3.38Å; V812-E816 PolarHBondContact O-N 2.93Å |
| 813 | T | 90 | Very high | 88.7 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -46 | 177.9 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | R749 I753 F772 A809 V810 K815 E816 L817 | R749-T813 PolarHBondContact NE-OG1 3.24Å; R749-T813 PolarHBondContact NH2-OG1 2.96Å; R749-T813 VanDerWaalsContact NH2-OG1 3.1Å; I753-T813 HydrophobicContact CD1-CG2 3.56Å; F772-T813 HydrophobicContact CD1-CG2 3.75Å; F772-T813 HydrophobicContact CD2-CG2 4.35Å; F772-T813 HydrophobicContact CE1-CG2 3.35Å; F772-T813 HydrophobicContact CE2-CG2 4.03Å; F772-T813 HydrophobicContact CG-CG2 4.24Å; F772-T813 HydrophobicContact CZ-CG2 3.52Å; A809-T813 WeakPolarHBondContact O-CB 3.41Å; A809-T813 PolarHBondContact O-N 3.35Å; A809-T813 VanDerWaalsContact O-N 3.1Å; A809-T813 PolarHBondContact O-OG1 3.05Å; V810-T813 PolarHBondContact O-N 3.3Å; T813-K815 VanDerWaalsContact C-N 3.33Å; T813-K815 PolarHBondContact O-N 3.12Å; T813-E816 PolarHBondContact O-N 3.48Å; T813-L817 VanDerWaalsContact O-CB 3.28Å; T813-L817 WeakPolarHBondContact O-CB 3.41Å; T813-L817 PolarHBondContact O-N 2.85Å |
| 814 | V | 91.1 | Very high | 89.2 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.024 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.4 | -48.4 | 178.1 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | F772 V773 H776 V810 L817 V818 I838 | F772-V814 HydrophobicContact CB-CG2 3.68Å; F772-V814 HydrophobicContact CD1-CG2 4.33Å; F772-V814 HydrophobicContact CG-CG2 4.41Å; F772-V814 WeakPolarHBondContact O-CG2 3.47Å; V773-V814 HydrophobicContact CG2-CG1 4.07Å; H776-V814 HydrophobicContact CB-CG2 4.05Å; V810-V814 HydrophobicContact CG1-CG2 4.25Å; V810-V814 WeakPolarHBondContact O-CG2 3.38Å; V810-V814 PolarHBondContact O-N 2.9Å; V814-L817 PolarHBondContact O-N 3.23Å; V814-V818 HydrophobicContact CG1-CG2 4.38Å; V814-V818 WeakPolarHBondContact O-CG2 3.09Å; V814-V818 PolarHBondContact O-N 3Å; V814-I838 HydrophobicContact CG1-CD1 3.59Å; V814-I838 HydrophobicContact CG1-CG1 4.38Å |
| 815 | K | 89.6 | Confident | 89.7 | Confident | 84 Ų | 84 | 38.1 Ų | 38.1 | 37% | 0.365 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.2 | -45.8 | -179.7 | -174.9 | 177.7 | 179 | 177.4 | 0 | 112.1 | A811 V812 T813 L817 S819 | A811-K815 PolarHBondContact O-N 3.38Å; V812-K815 PolarHBondContact O-N 3.1Å; T813-K815 VanDerWaalsContact C-N 3.33Å; T813-K815 PolarHBondContact O-N 3.12Å; K815-L817 VanDerWaalsContact C-N 3.32Å; K815-L817 PolarHBondContact O-N 3.47Å; K815-S819 VanDerWaalsContact O-CB 3.24Å; K815-S819 WeakPolarHBondContact O-CB 3.36Å; K815-S819 PolarHBondContact O-N 3.1Å; K815-S819 PolarHBondContact O-OG 3.3Å |
| 816 | E | 91.3 | Very high | 89.9 | Confident | 64 Ų | 64 | 41.2 Ų | 41.2 | 30% | 0.299 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.3 | -40.6 | 176.9 | -77.1 | -175.9 | -136.4 | 0 | 0 | 111.9 | R749 I753 K757 V812 T813 Y820 | R749-E816 IonicContact NH2-OE1 3.15Å; R749-E816 PolarHBondContact NH2-OE1 3.28Å; I753-E816 WeakPolarHBondContact CG2-OE2 3.42Å; K757-E816 IonicContact NZ-OE2 3.47Å; V812-E816 HydrophobicContact CG1-CG 4.34Å; V812-E816 VanDerWaalsContact CG1-OE1 3.24Å; V812-E816 WeakPolarHBondContact CG1-OE1 3.28Å; V812-E816 WeakPolarHBondContact O-CB 3.41Å; V812-E816 WeakPolarHBondContact O-CG 3.38Å; V812-E816 PolarHBondContact O-N 2.93Å; T813-E816 PolarHBondContact O-N 3.48Å; E816-Y820 VanDerWaalsContact O-CB 3.3Å; E816-Y820 WeakPolarHBondContact O-CB 3.35Å; E816-Y820 PolarHBondContact O-N 3.39Å |
| 817 | L | 92.9 | Very high | 90.3 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 5% | 0.052 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67 | -50.3 | -179.1 | 179 | 58.6 | 0 | 0 | 0 | 112.2 | T756 L765 L768 I769 F772 T813 V814 K815 S819 Y820 A821 | T756-L817 HydrophobicContact CG2-CD1 3.28Å; L765-L817 HydrophobicContact CD2-CD1 4.26Å; L768-L817 HydrophobicContact CB-CD2 3.83Å; I769-L817 HydrophobicContact CB-CD2 4.46Å; I769-L817 HydrophobicContact CG1-CD2 3.73Å; I769-L817 HydrophobicContact CG1-CG 3.73Å; F772-L817 HydrophobicContact CD2-CD2 3.99Å; T813-L817 VanDerWaalsContact O-CB 3.28Å; T813-L817 WeakPolarHBondContact O-CB 3.41Å; T813-L817 PolarHBondContact O-N 2.85Å; V814-L817 PolarHBondContact O-N 3.23Å; K815-L817 VanDerWaalsContact C-N 3.32Å; K815-L817 PolarHBondContact O-N 3.47Å; L817-S819 VanDerWaalsContact C-N 3.33Å; L817-Y820 PolarHBondContact O-N 3.21Å; L817-A821 WeakPolarHBondContact O-CB 3.47Å; L817-A821 PolarHBondContact O-N 3.01Å |
| 818 | V | 93.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.2 | -40.9 | 179.2 | -179 | 0 | 0 | 0 | 0 | 110.2 | I769 V814 Y820 A821 L822 T834 Q835 I838 | I769-V818 HydrophobicContact CD1-CG2 4.19Å; I769-V818 HydrophobicContact CG1-CG2 4.01Å; I769-V818 HydrophobicContact CG2-CG2 3.86Å; V814-V818 HydrophobicContact CG1-CG2 4.38Å; V814-V818 WeakPolarHBondContact O-CG2 3.09Å; V814-V818 PolarHBondContact O-N 3Å; V818-Y820 VanDerWaalsContact C-N 3.35Å; V818-Y820 PolarHBondContact O-N 2.84Å; V818-A821 PolarHBondContact O-N 3.47Å; V818-L822 HydrophobicContact CG1-CD1 4.12Å; V818-L822 HydrophobicContact CG1-CG 4.5Å; V818-L822 WeakPolarHBondContact O-CG 3.5Å; V818-L822 PolarHBondContact O-N 3.39Å; V818-T834 HydrophobicContact CG2-CG2 4.1Å; V818-Q835 HydrophobicContact CG1-CB 3.77Å; V818-Q835 HydrophobicContact CG1-CG 4.35Å; V818-I838 HydrophobicContact CG2-CD1 4.04Å |
| 819 | S | 93.4 | Very high | 91 | Very high | 47 Ų | 47 | 40.6 Ų | 40.6 | 33% | 0.329 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.4 | -45.5 | 174.8 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | K815 L817 L822 T823 | K815-S819 VanDerWaalsContact O-CB 3.24Å; K815-S819 WeakPolarHBondContact O-CB 3.36Å; K815-S819 PolarHBondContact O-N 3.1Å; K815-S819 PolarHBondContact O-OG 3.3Å; L817-S819 VanDerWaalsContact C-N 3.33Å; S819-L822 PolarHBondContact O-N 2.89Å; S819-T823 WeakPolarHBondContact O-CG2 3.43Å; S819-T823 PolarHBondContact O-N 3.44Å; S819-T823 VanDerWaalsContact O-N 3.09Å |
| 820 | Y | 94.5 | Very high | 91.4 | Very high | 30 Ų | 30 | 41.4 Ų | 41.4 | 12% | 0.118 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.4 | -46.5 | 176.2 | 169.2 | -107 | 0 | 0 | 0 | 112 | T756 K757 L759 L765 E816 L817 V818 L822 T823 L824 | T756-Y820 VanDerWaalsContact O-CE1 3.31Å; T756-Y820 WeakPolarHBondContact O-CE1 3.43Å; K757-Y820 VanDerWaalsContact C-OH 3.24Å; K757-Y820 HydrophobicContact CB-CD2 4.49Å; K757-Y820 HydrophobicContact CB-CE2 4.24Å; K757-Y820 HydrophobicContact CG-CD2 4.09Å; K757-Y820 HydrophobicContact CG-CE2 4.34Å; K757-Y820 HydrophobicContact CG-CG 4.22Å; K757-Y820 PolarHBondContact O-OH 3.17Å; L759-Y820 VanDerWaalsContact O-CE1 3.26Å; L759-Y820 WeakPolarHBondContact O-CE1 3.45Å; L759-Y820 PolarHBondContact O-OH 3.28Å; L765-Y820 HydrophobicContact CD2-CD1 4.4Å; L765-Y820 HydrophobicContact CD2-CE1 4.14Å; E816-Y820 VanDerWaalsContact O-CB 3.3Å; E816-Y820 WeakPolarHBondContact O-CB 3.35Å; E816-Y820 PolarHBondContact O-N 3.39Å; L817-Y820 PolarHBondContact O-N 3.21Å; V818-Y820 VanDerWaalsContact C-N 3.35Å; V818-Y820 PolarHBondContact O-N 2.84Å; Y820-L822 VanDerWaalsContact C-N 3.28Å; Y820-L822 PolarHBondContact O-N 3.34Å; Y820-T823 WeakPolarHBondContact O-CB 3.31Å; Y820-T823 PolarHBondContact O-N 2.88Å; Y820-T823 PolarHBondContact O-OG1 2.92Å; Y820-L824 HydrophobicContact CD1-CD1 4.48Å; Y820-L824 HydrophobicContact CE1-CD1 3.74Å; Y820-L824 HydrophobicContact CE2-CD1 4.29Å; Y820-L824 HydrophobicContact CE2-CD2 4.35Å; Y820-L824 HydrophobicContact CE2-CG 4.29Å; Y820-L824 PolarHBondContact O-N 3.41Å |
| 821 | A | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.4 | -41.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L765 I769 L817 V818 T823 L824 N825 W831 | L765-A821 HydrophobicContact CD1-CB 4.39Å; I769-A821 HydrophobicContact CD1-CB 3.88Å; L817-A821 WeakPolarHBondContact O-CB 3.47Å; L817-A821 PolarHBondContact O-N 3.01Å; V818-A821 PolarHBondContact O-N 3.47Å; A821-T823 VanDerWaalsContact C-N 3.33Å; A821-T823 PolarHBondContact O-N 3.28Å; A821-L824 WeakPolarHBondContact O-CB 3.41Å; A821-L824 PolarHBondContact O-N 3.12Å; A821-L824 VanDerWaalsContact O-N 3.13Å; A821-N825 PolarHBondContact O-N 3.21Å; A821-W831 HydrophobicContact CB-CD2 4.02Å; A821-W831 HydrophobicContact CB-CE3 3.68Å; A821-W831 HydrophobicContact CB-CH2 4.18Å; A821-W831 HydrophobicContact CB-CZ2 4.49Å; A821-W831 HydrophobicContact CB-CZ3 3.75Å; A821-W831 VanDerWaalsContact O-CZ3 3.29Å; A821-W831 WeakPolarHBondContact O-CZ3 3.22Å |
| 822 | L | 94.1 | Very high | 92.1 | Very high | 18 Ų | 18 | 40.5 Ų | 40.5 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.6 | -27.4 | 175.1 | -70.8 | 172.6 | 0 | 0 | 0 | 113.5 | V818 S819 Y820 L824 N825 P826 W831 L832 Q835 F851 | V818-L822 HydrophobicContact CG1-CD1 4.12Å; V818-L822 HydrophobicContact CG1-CG 4.5Å; V818-L822 WeakPolarHBondContact O-CG 3.5Å; V818-L822 PolarHBondContact O-N 3.39Å; S819-L822 PolarHBondContact O-N 2.89Å; Y820-L822 VanDerWaalsContact C-N 3.28Å; Y820-L822 PolarHBondContact O-N 3.34Å; L822-L824 PolarHBondContact O-N 3.43Å; L822-N825 CarbonylContact O-C 3.55Å; L822-P826 WeakPolarHBondContact O-CA 3.5Å; L822-P826 WeakPolarHBondContact O-CD 3.27Å; L822-P826 VanDerWaalsContact O-CG 3.32Å; L822-P826 WeakPolarHBondContact O-CG 3.5Å; L822-P826 VanDerWaalsContact O-N 3.16Å; L822-W831 HydrophobicContact CD2-CB 3.79Å; L822-W831 HydrophobicContact CG-CB 4.28Å; L822-L832 HydrophobicContact CD1-CD2 4.26Å; L822-L832 HydrophobicContact CD2-CD2 3.64Å; L822-L832 HydrophobicContact CD2-CG 3.9Å; L822-Q835 HydrophobicContact CD1-CB 3.87Å; L822-Q835 HydrophobicContact CD1-CG 3.9Å; L822-F851 HydrophobicContact CD1-CE1 4.14Å |
| 823 | T | 93.3 | Very high | 92.4 | Very high | 105 Ų | 105 | 38.6 Ų | 38.6 | 64% | 0.644 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -67.5 | -26.3 | 171.2 | 67.1 | 0 | 0 | 0 | 0 | 113.1 | S819 Y820 A821 | S819-T823 WeakPolarHBondContact O-CG2 3.43Å; S819-T823 PolarHBondContact O-N 3.44Å; S819-T823 VanDerWaalsContact O-N 3.09Å; Y820-T823 WeakPolarHBondContact O-CB 3.31Å; Y820-T823 PolarHBondContact O-N 2.88Å; Y820-T823 PolarHBondContact O-OG1 2.92Å; A821-T823 VanDerWaalsContact C-N 3.33Å; A821-T823 PolarHBondContact O-N 3.28Å |
| 824 | L | 89.4 | Confident | 92.6 | Very high | 70 Ų | 70 | 38.7 Ų | 38.7 | 37% | 0.366 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -85.5 | -45.8 | 177.8 | -61.7 | 176 | 0 | 0 | 0 | 112 | R760 L765 Y820 A821 L822 | R760-L824 HydrophobicContact CB-CD1 4.44Å; R760-L824 HydrophobicContact CG-CD1 4.39Å; L765-L824 HydrophobicContact CD1-CD1 3.71Å; Y820-L824 HydrophobicContact CD1-CD1 4.48Å; Y820-L824 HydrophobicContact CE1-CD1 3.74Å; Y820-L824 HydrophobicContact CE2-CD1 4.29Å; Y820-L824 HydrophobicContact CE2-CD2 4.35Å; Y820-L824 HydrophobicContact CE2-CG 4.29Å; Y820-L824 PolarHBondContact O-N 3.41Å; A821-L824 WeakPolarHBondContact O-CB 3.41Å; A821-L824 PolarHBondContact O-N 3.12Å; A821-L824 VanDerWaalsContact O-N 3.13Å; L822-L824 PolarHBondContact O-N 3.43Å |
| 825 | N | 89 | Confident | 92.8 | Very high | 59 Ų | 59 | 38.6 Ų | 38.6 | 32% | 0.316 | 21% | 0.21 | S | C | . | . | trans | -135.7 | 90.4 | 177.5 | -174 | 1.8 | 0 | 0 | 0 | 110.4 | A821 L822 N827 N828 W831 | A821-N825 PolarHBondContact O-N 3.21Å; L822-N825 CarbonylContact O-C 3.55Å; N825-N827 PolarHBondContact O-N 3Å; N825-N827 PolarHBondContact OD1-N 3.37Å; N825-N827 VanDerWaalsContact OD1-N 3.16Å; N825-N828 PolarHBondContact O-N 3.13Å; N825-W831 HydrophobicContact CB-CZ3 3.85Å | ||
| 826 | P | 90.7 | Very high | 93 | Very high | 75 Ų | 75 | 34.6 Ų | 34.6 | 49% | 0.487 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -20.7 | 177.4 | -20.9 | 31.2 | 0 | 0 | 0 | 113.5 | L822 N828 | L822-P826 WeakPolarHBondContact O-CA 3.5Å; L822-P826 WeakPolarHBondContact O-CD 3.27Å; L822-P826 VanDerWaalsContact O-CG 3.32Å; L822-P826 WeakPolarHBondContact O-CG 3.5Å; L822-P826 VanDerWaalsContact O-N 3.16Å; P826-N828 VanDerWaalsContact C-N 3.31Å; P826-N828 PolarHBondContact O-N 3.32Å |
| 827 | N | 91.8 | Very high | 93.1 | Very high | 114 Ų | 114 | 31.6 Ų | 31.6 | 61% | 0.61 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 17.1 | -173.5 | -60.9 | -17.7 | 0 | 0 | 0 | 112.8 | N825 Q829 V858 | N825-N827 PolarHBondContact O-N 3Å; N825-N827 PolarHBondContact OD1-N 3.37Å; N825-N827 VanDerWaalsContact OD1-N 3.16Å; N827-Q829 PolarHBondContact O-N 2.98Å; N827-V858 HydrophobicContact CB-CG1 4.16Å; N827-V858 WeakPolarHBondContact O-CG1 3.37Å |
| 828 | N | 92.8 | Very high | 93.1 | Very high | 28 Ų | 28 | 31.7 Ų | 31.7 | 15% | 0.15 | 18% | 0.179 | C | C | . | . | trans | -88.3 | 107.5 | 175.5 | -169.7 | -33.9 | 0 | 0 | 0 | 110.8 | N825 P826 A830 W831 L832 | N825-N828 PolarHBondContact O-N 3.13Å; P826-N828 VanDerWaalsContact C-N 3.31Å; P826-N828 PolarHBondContact O-N 3.32Å; N828-A830 VanDerWaalsContact C-N 3.34Å; N828-A830 PolarHBondContact O-N 3.05Å; N828-A830 PolarHBondContact OD1-N 3.08Å; N828-A830 VanDerWaalsContact OD1-N 3.1Å; N828-W831 HydrophobicContact CB-CB 4.19Å; N828-W831 HydrophobicContact CB-CD2 3.67Å; N828-W831 HydrophobicContact CB-CE3 3.5Å; N828-W831 HydrophobicContact CB-CG 4Å; N828-W831 HydrophobicContact CB-CZ3 4.13Å; N828-W831 VanDerWaalsContact CG-CD2 3.49Å; N828-W831 VanDerWaalsContact ND2-CD2 3.28Å; N828-W831 WeakPolarHBondContact ND2-CZ2 3.38Å; N828-W831 PolarHBondContact O-N 2.94Å; N828-W831 PolarHBondContact OD1-N 2.91Å; N828-L832 WeakPolarHBondContact O-CG 3.4Å; N828-L832 PolarHBondContact O-N 3Å; N828-L832 VanDerWaalsContact O-N 3.12Å | ||
| 829 | Q | 92.4 | Very high | 93 | Very high | 62 Ų | 62 | 33.4 Ų | 33.4 | 29% | 0.29 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -57.7 | -40.8 | -177.9 | 70 | -174.7 | 29.2 | 0 | 0 | 113.6 | N827 L832 V833 V871 | N827-Q829 PolarHBondContact O-N 2.98Å; Q829-L832 PolarHBondContact O-N 3.16Å; Q829-V833 WeakPolarHBondContact O-CG2 3.45Å; Q829-V833 PolarHBondContact O-N 3.43Å; Q829-V871 HydrophobicContact CG-CG2 4.42Å; Q829-V871 VanDerWaalsContact NE2-CG2 3.29Å |
| 830 | A | 91.8 | Very high | 92.9 | Very high | 17 Ų | 17 | 31.6 Ų | 31.6 | 14% | 0.14 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.3 | -40.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111 | E790 N828 V833 T834 | E790-A830 HydrophobicContact CG-CB 3.96Å; E790-A830 WeakPolarHBondContact OE1-CB 3.33Å; N828-A830 VanDerWaalsContact C-N 3.34Å; N828-A830 PolarHBondContact O-N 3.05Å; N828-A830 PolarHBondContact OD1-N 3.08Å; N828-A830 VanDerWaalsContact OD1-N 3.1Å; A830-V833 PolarHBondContact O-N 3.25Å; A830-T834 PolarHBondContact O-N 2.86Å; A830-T834 PolarHBondContact O-OG1 3.12Å; A830-T834 VanDerWaalsContact O-OG1 3.1Å |
| 831 | W | 95.3 | Very high | 92.7 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 2% | 0.019 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.7 | -36.7 | 177.1 | -60.5 | -12.4 | 0 | 0 | 0 | 112.2 | P762 L765 T766 I769 A821 L822 N825 N828 T834 Q835 | P762-W831 HydrophobicContact CB-CH2 4.15Å; P762-W831 HydrophobicContact CB-CZ2 4.21Å; L765-W831 HydrophobicContact CB-CH2 4.35Å; L765-W831 HydrophobicContact CB-CZ2 4.09Å; L765-W831 HydrophobicContact CD1-CH2 4.27Å; T766-W831 PolarHBondContact OG1-NE1 3.46Å; I769-W831 HydrophobicContact CD1-CD2 4.39Å; I769-W831 HydrophobicContact CD1-CG 4.22Å; A821-W831 HydrophobicContact CB-CD2 4.02Å; A821-W831 HydrophobicContact CB-CE3 3.68Å; A821-W831 HydrophobicContact CB-CH2 4.18Å; A821-W831 HydrophobicContact CB-CZ2 4.49Å; A821-W831 HydrophobicContact CB-CZ3 3.75Å; A821-W831 VanDerWaalsContact O-CZ3 3.29Å; A821-W831 WeakPolarHBondContact O-CZ3 3.22Å; L822-W831 HydrophobicContact CD2-CB 3.79Å; L822-W831 HydrophobicContact CG-CB 4.28Å; N825-W831 HydrophobicContact CB-CZ3 3.85Å; N828-W831 HydrophobicContact CB-CB 4.19Å; N828-W831 HydrophobicContact CB-CD2 3.67Å; N828-W831 HydrophobicContact CB-CE3 3.5Å; N828-W831 HydrophobicContact CB-CG 4Å; N828-W831 HydrophobicContact CB-CZ3 4.13Å; N828-W831 VanDerWaalsContact CG-CD2 3.49Å; N828-W831 VanDerWaalsContact ND2-CD2 3.28Å; N828-W831 WeakPolarHBondContact ND2-CZ2 3.38Å; N828-W831 PolarHBondContact O-N 2.94Å; N828-W831 PolarHBondContact OD1-N 2.91Å; W831-T834 PolarHBondContact O-N 3.5Å; W831-Q835 VanDerWaalsContact O-CB 3.31Å; W831-Q835 WeakPolarHBondContact O-CB 3.49Å; W831-Q835 PolarHBondContact O-N 3.3Å |
| 832 | L | 95.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 174.2 | -67.5 | 168.2 | 0 | 0 | 0 | 111.3 | L822 N828 Q829 Q835 A836 F851 Q854 A855 V858 | L822-L832 HydrophobicContact CD1-CD2 4.26Å; L822-L832 HydrophobicContact CD2-CD2 3.64Å; L822-L832 HydrophobicContact CD2-CG 3.9Å; N828-L832 WeakPolarHBondContact O-CG 3.4Å; N828-L832 PolarHBondContact O-N 3Å; N828-L832 VanDerWaalsContact O-N 3.12Å; Q829-L832 PolarHBondContact O-N 3.16Å; L832-Q835 PolarHBondContact O-N 3.18Å; L832-A836 WeakPolarHBondContact O-CB 3.35Å; L832-A836 PolarHBondContact O-N 3.43Å; L832-F851 HydrophobicContact CD2-CD1 3.62Å; L832-F851 HydrophobicContact CD2-CE1 3.95Å; L832-Q854 HydrophobicContact CD1-CB 4.25Å; L832-Q854 HydrophobicContact CD2-CB 4.38Å; L832-A855 HydrophobicContact CB-CB 3.78Å; L832-A855 HydrophobicContact CD1-CB 4.32Å; L832-V858 HydrophobicContact CD1-CG2 4.06Å |
| 833 | V | 94.8 | Very high | 92.2 | Very high | 14 Ų | 14 | 38 Ų | 38 | 9% | 0.085 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.7 | -45.5 | 175.3 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | T788 Q829 A830 Q835 A836 D837 Y852 A855 V876 | T788-V833 WeakPolarHBondContact OG1-CG1 3.3Å; Q829-V833 WeakPolarHBondContact O-CG2 3.45Å; Q829-V833 PolarHBondContact O-N 3.43Å; A830-V833 PolarHBondContact O-N 3.25Å; V833-Q835 VanDerWaalsContact C-N 3.29Å; V833-Q835 PolarHBondContact O-N 3.12Å; V833-A836 WeakPolarHBondContact O-CB 3.49Å; V833-A836 PolarHBondContact O-N 3.22Å; V833-D837 WeakPolarHBondContact O-CB 3.4Å; V833-D837 PolarHBondContact O-N 3.48Å; V833-Y852 HydrophobicContact CG1-CE1 4.31Å; V833-A855 HydrophobicContact CG2-CB 3.79Å; V833-V876 HydrophobicContact CG1-CG2 4.28Å |
| 834 | T | 93.8 | Very high | 92.2 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.6 | -41 | 174.7 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | I769 V773 V787 T788 V818 A830 W831 D837 I838 | I769-T834 HydrophobicContact CG2-CG2 4.01Å; V773-T834 HydrophobicContact CG2-CG2 3.69Å; V787-T834 HydrophobicContact CG1-CG2 3.97Å; T788-T834 WeakPolarHBondContact O-CB 3.21Å; T788-T834 PolarHBondContact O-OG1 3.03Å; V818-T834 HydrophobicContact CG2-CG2 4.1Å; A830-T834 PolarHBondContact O-N 2.86Å; A830-T834 PolarHBondContact O-OG1 3.12Å; A830-T834 VanDerWaalsContact O-OG1 3.1Å; W831-T834 PolarHBondContact O-N 3.5Å; T834-D837 PolarHBondContact O-N 3.27Å; T834-I838 HydrophobicContact CG2-CD1 4.06Å; T834-I838 WeakPolarHBondContact O-CD1 3.43Å; T834-I838 VanDerWaalsContact O-CG1 3.25Å; T834-I838 WeakPolarHBondContact O-CG1 3.19Å; T834-I838 PolarHBondContact O-N 3.19Å |
| 835 | Q | 94.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.2 | -41.6 | 176.3 | -171.2 | 58.8 | 54.8 | 0 | 0 | 112 | V818 L822 W831 L832 V833 I838 Y839 F851 | V818-Q835 HydrophobicContact CG1-CB 3.77Å; V818-Q835 HydrophobicContact CG1-CG 4.35Å; L822-Q835 HydrophobicContact CD1-CB 3.87Å; L822-Q835 HydrophobicContact CD1-CG 3.9Å; W831-Q835 VanDerWaalsContact O-CB 3.31Å; W831-Q835 WeakPolarHBondContact O-CB 3.49Å; W831-Q835 PolarHBondContact O-N 3.3Å; L832-Q835 PolarHBondContact O-N 3.18Å; V833-Q835 VanDerWaalsContact C-N 3.29Å; V833-Q835 PolarHBondContact O-N 3.12Å; Q835-I838 PolarHBondContact O-N 3.5Å; Q835-Y839 HydrophobicContact CG-CD2 3.99Å; Q835-Y839 HydrophobicContact CG-CE2 3.72Å; Q835-Y839 WeakPolarHBondContact O-CD2 3.32Å; Q835-Y839 PolarHBondContact O-N 3.06Å; Q835-F851 HydrophobicContact CB-CD1 4.36Å; Q835-F851 HydrophobicContact CB-CG 4.47Å; Q835-F851 HydrophobicContact CG-CD1 4.14Å; Q835-F851 HydrophobicContact CG-CD2 4.13Å; Q835-F851 HydrophobicContact CG-CE1 4.07Å; Q835-F851 HydrophobicContact CG-CE2 4.08Å; Q835-F851 HydrophobicContact CG-CG 4.18Å; Q835-F851 HydrophobicContact CG-CZ 4.04Å |
| 836 | A | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61 | -45.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L832 V833 I838 Y839 F840 A848 F851 Y852 | L832-A836 WeakPolarHBondContact O-CB 3.35Å; L832-A836 PolarHBondContact O-N 3.43Å; V833-A836 WeakPolarHBondContact O-CB 3.49Å; V833-A836 PolarHBondContact O-N 3.22Å; A836-I838 PolarHBondContact O-N 2.91Å; A836-Y839 PolarHBondContact O-N 3.28Å; A836-F840 WeakPolarHBondContact O-CB 3.44Å; A836-F840 PolarHBondContact O-N 3.36Å; A836-A848 WeakPolarHBondContact CB-O 3.27Å; A836-A848 WeakPolarHBondContact O-CB 3.26Å; A836-F851 HydrophobicContact CB-CB 3.65Å; A836-Y852 HydrophobicContact CB-CD1 3.47Å; A836-Y852 VanDerWaalsContact CB-CD1 3.47Å; A836-Y852 HydrophobicContact CB-CD2 3.98Å; A836-Y852 HydrophobicContact CB-CE1 3.41Å; A836-Y852 VanDerWaalsContact CB-CE1 3.41Å; A836-Y852 HydrophobicContact CB-CE2 3.93Å; A836-Y852 HydrophobicContact CB-CG 3.75Å |
| 837 | D | 93.4 | Very high | 93 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.6 | -44.9 | 176.1 | -76.5 | -10.6 | 0 | 0 | 0 | 111.8 | V787 T788 V833 T834 Y839 F840 V841 Y852 R879 | V787-D837 HydrophobicContact CB-CB 4.31Å; V787-D837 HydrophobicContact CG1-CB 3.86Å; V787-D837 HydrophobicContact CG2-CB 4.34Å; T788-D837 VanDerWaalsContact CB-OD2 3.27Å; T788-D837 WeakPolarHBondContact CB-OD2 3.47Å; T788-D837 WeakPolarHBondContact CG2-OD2 3.44Å; T788-D837 PolarHBondContact N-OD2 3.04Å; T788-D837 PolarHBondContact OG1-OD2 3.41Å; V833-D837 WeakPolarHBondContact O-CB 3.4Å; V833-D837 PolarHBondContact O-N 3.48Å; T834-D837 PolarHBondContact O-N 3.27Å; D837-Y839 VanDerWaalsContact C-N 3.29Å; D837-Y839 PolarHBondContact O-N 3.01Å; D837-F840 WeakPolarHBondContact O-CB 3.37Å; D837-F840 PolarHBondContact O-N 3.01Å; D837-F840 VanDerWaalsContact O-N 3.12Å; D837-V841 VanDerWaalsContact O-CG2 3.3Å; D837-V841 WeakPolarHBondContact O-CG2 3.47Å; D837-V841 PolarHBondContact O-N 3.33Å; D837-Y852 PolarHBondContact OD1-OH 3.06Å; D837-R879 IonicContact OD1-CZ 2.69Å; D837-R879 IonicContact OD1-NH1 3.59Å; D837-R879 PolarHBondContact OD1-NH1 3.4Å; D837-R879 IonicContact OD2-NH1 3.92Å; D837-R879 PolarHBondContact OD2-NH1 3.34Å |
| 838 | I | 91.3 | Very high | 93.2 | Very high | 13 Ų | 13 | 28.5 Ų | 28.5 | 7% | 0.067 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.2 | -42.5 | 175.8 | -67.7 | 160.9 | 0 | 0 | 0 | 110.8 | V787 V814 V818 T834 Q835 A836 F840 T842 | V787-I838 HydrophobicContact CG1-CG1 4Å; V787-I838 HydrophobicContact CG2-CG1 4.41Å; V814-I838 HydrophobicContact CG1-CD1 3.59Å; V814-I838 HydrophobicContact CG1-CG1 4.38Å; V818-I838 HydrophobicContact CG2-CD1 4.04Å; T834-I838 HydrophobicContact CG2-CD1 4.06Å; T834-I838 WeakPolarHBondContact O-CD1 3.43Å; T834-I838 VanDerWaalsContact O-CG1 3.25Å; T834-I838 WeakPolarHBondContact O-CG1 3.19Å; T834-I838 PolarHBondContact O-N 3.19Å; Q835-I838 PolarHBondContact O-N 3.5Å; A836-I838 PolarHBondContact O-N 2.91Å; I838-F840 VanDerWaalsContact C-N 3.35Å; I838-T842 WeakPolarHBondContact O-CG2 3.2Å; I838-T842 PolarHBondContact O-N 3.38Å; I838-T842 VanDerWaalsContact O-N 3.11Å; I838-T842 PolarHBondContact O-OG1 3.49Å |
| 839 | Y | 92.4 | Very high | 93.4 | Very high | 36 Ų | 36 | 27.2 Ų | 27.2 | 14% | 0.141 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.9 | -37.7 | 175.3 | -79 | -56 | 0 | 0 | 0 | 112.5 | Q835 A836 D837 T842 N843 Q844 A847 F851 | Q835-Y839 HydrophobicContact CG-CD2 3.99Å; Q835-Y839 HydrophobicContact CG-CE2 3.72Å; Q835-Y839 WeakPolarHBondContact O-CD2 3.32Å; Q835-Y839 PolarHBondContact O-N 3.06Å; A836-Y839 PolarHBondContact O-N 3.28Å; D837-Y839 VanDerWaalsContact C-N 3.29Å; D837-Y839 PolarHBondContact O-N 3.01Å; Y839-T842 WeakPolarHBondContact CA-OG1 3.41Å; Y839-T842 CarbonylContact O-C 3.57Å; Y839-T842 PolarHBondContact O-N 2.81Å; Y839-T842 PolarHBondContact O-OG1 3Å; Y839-T842 VanDerWaalsContact O-OG1 3.09Å; Y839-N843 PolarHBondContact O-N 3.01Å; Y839-Q844 HydrophobicContact CD1-CB 3.9Å; Y839-Q844 HydrophobicContact CD1-CG 4.3Å; Y839-Q844 HydrophobicContact CG-CB 4.48Å; Y839-Q844 PolarHBondContact O-N 3.39Å; Y839-A847 HydrophobicContact CD1-CB 4.07Å; Y839-A847 HydrophobicContact CD2-CB 4.09Å; Y839-A847 HydrophobicContact CE1-CB 4.43Å; Y839-A847 HydrophobicContact CE2-CB 4.44Å; Y839-A847 HydrophobicContact CG-CB 3.9Å; Y839-F851 AromaticContact CD2-CD2 3.66Å; Y839-F851 HydrophobicContact CD2-CD2 3.66Å; Y839-F851 AromaticContact CD2-CE2 3.86Å; Y839-F851 HydrophobicContact CD2-CE2 3.86Å; Y839-F851 AromaticContact CE2-CD2 3.7Å; Y839-F851 HydrophobicContact CE2-CD2 3.7Å; Y839-F851 AromaticContact CE2-CE2 3.37Å; Y839-F851 HydrophobicContact CE2-CE2 3.37Å; Y839-F851 HydrophobicContact CE2-CZ 4.29Å |
| 840 | F | 92.5 | Very high | 93.6 | Very high | 9 Ų | 9 | 25 Ų | 25 | 4% | 0.039 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -48.1 | 175.4 | -179.7 | -95.2 | 0 | 0 | 0 | 111.9 | A836 D837 I838 T842 N843 Y845 A848 R879 K882 C883 | A836-F840 WeakPolarHBondContact O-CB 3.44Å; A836-F840 PolarHBondContact O-N 3.36Å; D837-F840 WeakPolarHBondContact O-CB 3.37Å; D837-F840 PolarHBondContact O-N 3.01Å; D837-F840 VanDerWaalsContact O-N 3.12Å; I838-F840 VanDerWaalsContact C-N 3.35Å; F840-T842 PolarHBondContact O-N 3.43Å; F840-N843 PolarHBondContact O-N 3.48Å; F840-Y845 HydrophobicContact CD2-CD1 4.2Å; F840-Y845 HydrophobicContact CD2-CE1 4.35Å; F840-Y845 HydrophobicContact CE2-CD1 4.42Å; F840-Y845 HydrophobicContact CE2-CE1 4.34Å; F840-A848 HydrophobicContact CB-CB 4.07Å; F840-R879 HydrophobicContact CD1-CG 4.3Å; F840-R879 HydrophobicContact CD2-CB 4.21Å; F840-R879 HydrophobicContact CD2-CG 4.41Å; F840-R879 HydrophobicContact CE1-CG 4Å; F840-R879 HydrophobicContact CE2-CB 4.02Å; F840-R879 HydrophobicContact CE2-CG 4.11Å; F840-R879 HydrophobicContact CG-CG 4.48Å; F840-R879 HydrophobicContact CZ-CB 4.3Å; F840-R879 HydrophobicContact CZ-CG 3.88Å; F840-K882 HydrophobicContact CE2-CB 4.11Å; F840-K882 HydrophobicContact CE2-CD 4.28Å; F840-K882 HydrophobicContact CE2-CG 4.07Å; F840-K882 HydrophobicContact CZ-CB 4.32Å; F840-K882 HydrophobicContact CZ-CD 3.81Å; F840-K882 HydrophobicContact CZ-CG 4.11Å; F840-C883 VanDerWaalsContact CD2-SG 3.56Å |
| 841 | V | 89.6 | Confident | 93.8 | Very high | 15 Ų | 15 | 26.1 Ų | 26.1 | 9% | 0.091 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.6 | -26.3 | 177.8 | 178.2 | 0 | 0 | 0 | 0 | 112.4 | N785 V787 D837 N843 | N785-V841 HydrophobicContact CB-CG2 3.97Å; N785-V841 VanDerWaalsContact O-CG2 3.26Å; N785-V841 WeakPolarHBondContact O-CG2 3.33Å; V787-V841 HydrophobicContact CG2-CG2 3.78Å; D837-V841 VanDerWaalsContact O-CG2 3.3Å; D837-V841 WeakPolarHBondContact O-CG2 3.47Å; D837-V841 PolarHBondContact O-N 3.33Å; V841-N843 VanDerWaalsContact C-N 3.29Å |
| 842 | T | 87.8 | Confident | 93.9 | Very high | 59 Ų | 59 | 25.9 Ų | 25.9 | 36% | 0.362 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 12.8 | 175.2 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | I838 Y839 F840 Q844 | I838-T842 WeakPolarHBondContact O-CG2 3.2Å; I838-T842 PolarHBondContact O-N 3.38Å; I838-T842 VanDerWaalsContact O-N 3.11Å; I838-T842 PolarHBondContact O-OG1 3.49Å; Y839-T842 WeakPolarHBondContact CA-OG1 3.41Å; Y839-T842 CarbonylContact O-C 3.57Å; Y839-T842 PolarHBondContact O-N 2.81Å; Y839-T842 PolarHBondContact O-OG1 3Å; Y839-T842 VanDerWaalsContact O-OG1 3.09Å; F840-T842 PolarHBondContact O-N 3.43Å; T842-Q844 PolarHBondContact O-N 3.23Å |
| 843 | N | 90.6 | Very high | 94 | Very high | 109 Ų | 109 | 25.7 Ų | 25.7 | 58% | 0.583 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 25.9 | 179.8 | -59.8 | -40.7 | 0 | 0 | 0 | 114.5 | Y839 F840 V841 Y845 | Y839-N843 PolarHBondContact O-N 3.01Å; F840-N843 PolarHBondContact O-N 3.48Å; V841-N843 VanDerWaalsContact C-N 3.29Å; N843-Y845 HydrophobicContact CB-CE2 4.31Å; N843-Y845 PolarHBondContact O-N 3.2Å; N843-Y845 PolarHBondContact OD1-OH 3Å |
| 844 | Q | 93.1 | Very high | 94.1 | Very high | 90 Ų | 90 | 27.5 Ų | 27.5 | 42% | 0.421 | 15% | 0.148 | S | C | . | . | trans | -95.7 | 71.9 | 173.8 | -59.2 | -167.8 | 7.8 | 0 | 0 | 110.1 | Y839 T842 S846 A847 A848 | Y839-Q844 HydrophobicContact CD1-CB 3.9Å; Y839-Q844 HydrophobicContact CD1-CG 4.3Å; Y839-Q844 HydrophobicContact CG-CB 4.48Å; Y839-Q844 PolarHBondContact O-N 3.39Å; T842-Q844 PolarHBondContact O-N 3.23Å; Q844-S846 PolarHBondContact O-N 3.48Å; Q844-A847 HydrophobicContact CB-CB 4.33Å; Q844-A847 PolarHBondContact O-N 3.21Å; Q844-A848 WeakPolarHBondContact O-CB 3.24Å; Q844-A848 PolarHBondContact O-N 3.19Å | ||
| 845 | Y | 95.3 | Very high | 94.1 | Very high | 37 Ų | 37 | 27.3 Ų | 27.3 | 15% | 0.145 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.5 | -37 | -169.8 | -56.1 | -56.4 | 0 | 0 | 0 | 114.5 | F840 N843 A848 L849 M886 | F840-Y845 HydrophobicContact CD2-CD1 4.2Å; F840-Y845 HydrophobicContact CD2-CE1 4.35Å; F840-Y845 HydrophobicContact CE2-CD1 4.42Å; F840-Y845 HydrophobicContact CE2-CE1 4.34Å; N843-Y845 HydrophobicContact CB-CE2 4.31Å; N843-Y845 PolarHBondContact O-N 3.2Å; N843-Y845 PolarHBondContact OD1-OH 3Å; Y845-A848 PolarHBondContact O-N 3.3Å; Y845-L849 WeakPolarHBondContact O-CB 3.21Å; Y845-L849 PolarHBondContact O-N 3.13Å; Y845-M886 HydrophobicContact CD2-CB 3.4Å; Y845-M886 VanDerWaalsContact CD2-CB 3.4Å; Y845-M886 HydrophobicContact CD2-CG 4.12Å; Y845-M886 HydrophobicContact CE1-CG 4.33Å; Y845-M886 HydrophobicContact CE2-CB 3.44Å; Y845-M886 VanDerWaalsContact CE2-CB 3.44Å; Y845-M886 HydrophobicContact CE2-CE 3.92Å; Y845-M886 HydrophobicContact CE2-CG 3.7Å; Y845-M886 HydrophobicContact CG-CB 3.97Å |
| 846 | S | 95.6 | Very high | 94.2 | Very high | 67 Ų | 67 | 27.2 Ų | 27.2 | 47% | 0.469 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -65.8 | -46.9 | 178.3 | 175.7 | 0 | 0 | 0 | 0 | 111.9 | Q844 L849 S850 M887 | Q844-S846 PolarHBondContact O-N 3.48Å; S846-L849 PolarHBondContact O-N 2.99Å; S846-S850 PolarHBondContact O-N 3.22Å; S846-M887 WeakPolarHBondContact CA-SD 3.42Å |
| 847 | A | 95 | Very high | 94.2 | Very high | 29 Ų | 29 | 27.9 Ų | 27.9 | 24% | 0.24 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y839 Q844 L849 S850 F851 | Y839-A847 HydrophobicContact CD1-CB 4.07Å; Y839-A847 HydrophobicContact CD2-CB 4.09Å; Y839-A847 HydrophobicContact CE1-CB 4.43Å; Y839-A847 HydrophobicContact CE2-CB 4.44Å; Y839-A847 HydrophobicContact CG-CB 3.9Å; Q844-A847 HydrophobicContact CB-CB 4.33Å; Q844-A847 PolarHBondContact O-N 3.21Å; A847-L849 PolarHBondContact O-N 2.68Å; A847-S850 PolarHBondContact O-N 3Å; A847-F851 VanDerWaalsContact O-CD2 3.28Å; A847-F851 WeakPolarHBondContact O-CD2 3.47Å; A847-F851 PolarHBondContact O-N 3.27Å |
| 848 | A | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.6 | -47.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | A836 F840 Q844 Y845 S850 F851 Y852 | A836-A848 WeakPolarHBondContact CB-O 3.27Å; A836-A848 WeakPolarHBondContact O-CB 3.26Å; F840-A848 HydrophobicContact CB-CB 4.07Å; Q844-A848 WeakPolarHBondContact O-CB 3.24Å; Q844-A848 PolarHBondContact O-N 3.19Å; Y845-A848 PolarHBondContact O-N 3.3Å; A848-S850 PolarHBondContact O-N 3.47Å; A848-F851 PolarHBondContact O-N 2.93Å; A848-Y852 HydrophobicContact CB-CE2 4.3Å; A848-Y852 WeakPolarHBondContact O-CD2 3.44Å; A848-Y852 PolarHBondContact O-N 3Å |
| 849 | L | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | 178.5 | -173.1 | 62.3 | 0 | 0 | 0 | 112.3 | Y845 S846 A847 F851 Y852 L853 M880 C883 M887 Y990 | Y845-L849 WeakPolarHBondContact O-CB 3.21Å; Y845-L849 PolarHBondContact O-N 3.13Å; S846-L849 PolarHBondContact O-N 2.99Å; A847-L849 PolarHBondContact O-N 2.68Å; L849-F851 PolarHBondContact O-N 2.98Å; L849-Y852 PolarHBondContact O-N 2.91Å; L849-L853 HydrophobicContact CD1-CD1 4.42Å; L849-L853 HydrophobicContact CG-CD1 4.08Å; L849-L853 WeakPolarHBondContact O-CB 3.43Å; L849-L853 WeakPolarHBondContact O-CG 3.46Å; L849-L853 PolarHBondContact O-N 3.42Å; L849-M880 HydrophobicContact CD1-CB 4Å; L849-M880 HydrophobicContact CD1-CE 3.71Å; L849-M880 HydrophobicContact CD1-CG 3.95Å; L849-C883 HydrophobicContact CB-CB 4.36Å; L849-M887 HydrophobicContact CB-CE 4.36Å; L849-M887 HydrophobicContact CD2-CE 3.6Å; L849-Y990 HydrophobicContact CD2-CD1 4.41Å; L849-Y990 HydrophobicContact CD2-CD2 3.92Å; L849-Y990 HydrophobicContact CD2-CE1 3.91Å; L849-Y990 HydrophobicContact CD2-CE2 3.38Å; L849-Y990 HydrophobicContact CD2-CG 4.44Å; L849-Y990 HydrophobicContact CG-CD2 4.37Å; L849-Y990 HydrophobicContact CG-CE2 4.28Å |
| 850 | S | 96.8 | Very high | 94.5 | Very high | 16 Ų | 16 | 29.5 Ų | 29.5 | 11% | 0.112 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.3 | -47.5 | 174.9 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | S846 A847 A848 L853 Q854 | S846-S850 PolarHBondContact O-N 3.22Å; A847-S850 PolarHBondContact O-N 3Å; A848-S850 PolarHBondContact O-N 3.47Å; S850-L853 PolarHBondContact O-N 3.33Å; S850-Q854 WeakPolarHBondContact O-CG 3.29Å; S850-Q854 PolarHBondContact O-N 3.15Å; S850-Q854 PolarHBondContact OG-NE2 3.32Å |
| 851 | F | 96.5 | Very high | 94.5 | Very high | 41 Ų | 41 | 33.4 Ų | 33.4 | 18% | 0.18 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.9 | -36.2 | 178.6 | -81.7 | -72.8 | 0 | 0 | 0 | 113.7 | L822 L832 Q835 A836 Y839 A847 A848 L849 L853 Q854 A855 | L822-F851 HydrophobicContact CD1-CE1 4.14Å; L832-F851 HydrophobicContact CD2-CD1 3.62Å; L832-F851 HydrophobicContact CD2-CE1 3.95Å; Q835-F851 HydrophobicContact CB-CD1 4.36Å; Q835-F851 HydrophobicContact CB-CG 4.47Å; Q835-F851 HydrophobicContact CG-CD1 4.14Å; Q835-F851 HydrophobicContact CG-CD2 4.13Å; Q835-F851 HydrophobicContact CG-CE1 4.07Å; Q835-F851 HydrophobicContact CG-CE2 4.08Å; Q835-F851 HydrophobicContact CG-CG 4.18Å; Q835-F851 HydrophobicContact CG-CZ 4.04Å; A836-F851 HydrophobicContact CB-CB 3.65Å; Y839-F851 AromaticContact CD2-CD2 3.66Å; Y839-F851 HydrophobicContact CD2-CD2 3.66Å; Y839-F851 AromaticContact CD2-CE2 3.86Å; Y839-F851 HydrophobicContact CD2-CE2 3.86Å; Y839-F851 AromaticContact CE2-CD2 3.7Å; Y839-F851 HydrophobicContact CE2-CD2 3.7Å; Y839-F851 AromaticContact CE2-CE2 3.37Å; Y839-F851 HydrophobicContact CE2-CE2 3.37Å; Y839-F851 HydrophobicContact CE2-CZ 4.29Å; A847-F851 VanDerWaalsContact O-CD2 3.28Å; A847-F851 WeakPolarHBondContact O-CD2 3.47Å; A847-F851 PolarHBondContact O-N 3.27Å; A848-F851 PolarHBondContact O-N 2.93Å; L849-F851 PolarHBondContact O-N 2.98Å; F851-L853 VanDerWaalsContact C-N 3.32Å; F851-L853 PolarHBondContact O-N 2.87Å; F851-Q854 PolarHBondContact O-N 3.46Å; F851-A855 PolarHBondContact O-N 3.36Å |
| 852 | Y | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61 | -43.4 | 171.9 | -72.3 | -52.2 | 0 | 0 | 0 | 111.5 | V833 A836 D837 A848 L849 A855 G856 Y872 V876 R879 M880 | V833-Y852 HydrophobicContact CG1-CE1 4.31Å; A836-Y852 HydrophobicContact CB-CD1 3.47Å; A836-Y852 VanDerWaalsContact CB-CD1 3.47Å; A836-Y852 HydrophobicContact CB-CD2 3.98Å; A836-Y852 HydrophobicContact CB-CE1 3.41Å; A836-Y852 VanDerWaalsContact CB-CE1 3.41Å; A836-Y852 HydrophobicContact CB-CE2 3.93Å; A836-Y852 HydrophobicContact CB-CG 3.75Å; D837-Y852 PolarHBondContact OD1-OH 3.06Å; A848-Y852 HydrophobicContact CB-CE2 4.3Å; A848-Y852 WeakPolarHBondContact O-CD2 3.44Å; A848-Y852 PolarHBondContact O-N 3Å; L849-Y852 PolarHBondContact O-N 2.91Å; Y852-A855 WeakPolarHBondContact O-CB 3.22Å; Y852-A855 PolarHBondContact O-N 3.46Å; Y852-G856 PolarHBondContact O-N 2.87Å; Y852-Y872 WeakPolarHBondContact O-CE1 3.42Å; Y852-Y872 PolarHBondContact O-OH 2.93Å; Y852-Y872 VanDerWaalsContact O-OH 3.07Å; Y852-V876 HydrophobicContact CD1-CG1 3.61Å; Y852-V876 HydrophobicContact CE1-CG1 3.89Å; Y852-V876 HydrophobicContact CE1-CG2 4.35Å; Y852-V876 HydrophobicContact CG-CG1 4.2Å; Y852-R879 HydrophobicContact CE2-CB 4.04Å; Y852-R879 WeakPolarHBondContact OH-CD 3.39Å; Y852-M880 HydrophobicContact CD2-CG 3.74Å; Y852-M880 HydrophobicContact CE2-CG 4.46Å; Y852-M880 HydrophobicContact CG-CG 4.01Å |
| 853 | L | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.2 | -36 | 177.9 | -70.7 | 166.8 | 0 | 0 | 0 | 112.6 | L849 S850 F851 A855 G856 A857 F863 M880 L983 M986 Y990 F991 | L849-L853 HydrophobicContact CD1-CD1 4.42Å; L849-L853 HydrophobicContact CG-CD1 4.08Å; L849-L853 WeakPolarHBondContact O-CB 3.43Å; L849-L853 WeakPolarHBondContact O-CG 3.46Å; L849-L853 PolarHBondContact O-N 3.42Å; S850-L853 PolarHBondContact O-N 3.33Å; F851-L853 VanDerWaalsContact C-N 3.32Å; F851-L853 PolarHBondContact O-N 2.87Å; L853-A855 VanDerWaalsContact C-N 3.35Å; L853-G856 PolarHBondContact O-N 2.98Å; L853-A857 VanDerWaalsContact O-CB 3.29Å; L853-A857 WeakPolarHBondContact O-CB 3.4Å; L853-A857 PolarHBondContact O-N 2.93Å; L853-F863 HydrophobicContact CD2-CZ 4.13Å; L853-F863 WeakPolarHBondContact O-CZ 3.48Å; L853-M880 HydrophobicContact CD2-CE 3.96Å; L853-M880 HydrophobicContact CG-CE 4.27Å; L853-L983 HydrophobicContact CD2-CD2 4.12Å; L853-M986 HydrophobicContact CD1-CB 3.91Å; L853-M986 HydrophobicContact CD1-CE 4.19Å; L853-M986 HydrophobicContact CD2-CB 4.21Å; L853-M986 HydrophobicContact CD2-CE 3.63Å; L853-M986 HydrophobicContact CG-CE 4.33Å; L853-Y990 HydrophobicContact CD1-CD2 3.75Å; L853-Y990 HydrophobicContact CD1-CG 4.39Å; L853-F991 HydrophobicContact CB-CD1 4.5Å; L853-F991 HydrophobicContact CB-CE1 3.5Å; L853-F991 HydrophobicContact CB-CZ 4.17Å; L853-F991 HydrophobicContact CD1-CE1 4.5Å |
| 854 | Q | 96.1 | Very high | 95.2 | Very high | 51 Ų | 51 | 32.8 Ų | 32.8 | 24% | 0.238 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 171.3 | -73.2 | 172.7 | 38.1 | 0 | 0 | 111.1 | L832 S850 F851 G856 A857 V858 F991 | L832-Q854 HydrophobicContact CD1-CB 4.25Å; L832-Q854 HydrophobicContact CD2-CB 4.38Å; S850-Q854 WeakPolarHBondContact O-CG 3.29Å; S850-Q854 PolarHBondContact O-N 3.15Å; S850-Q854 PolarHBondContact OG-NE2 3.32Å; F851-Q854 PolarHBondContact O-N 3.46Å; Q854-G856 VanDerWaalsContact C-N 3.34Å; Q854-G856 PolarHBondContact O-N 2.95Å; Q854-A857 PolarHBondContact O-N 3.24Å; Q854-V858 WeakPolarHBondContact O-CB 3.41Å; Q854-V858 VanDerWaalsContact O-CG2 3.27Å; Q854-V858 WeakPolarHBondContact O-CG2 3.34Å; Q854-V858 PolarHBondContact O-N 3.37Å; Q854-F991 HydrophobicContact CB-CZ 4.34Å; Q854-F991 HydrophobicContact CG-CD1 4.07Å; Q854-F991 HydrophobicContact CG-CD2 3.77Å; Q854-F991 HydrophobicContact CG-CE1 3.88Å; Q854-F991 HydrophobicContact CG-CE2 3.52Å; Q854-F991 HydrophobicContact CG-CG 4.03Å; Q854-F991 HydrophobicContact CG-CZ 3.58Å |
| 855 | A | 95.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.9 | -46.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L832 V833 F851 Y852 L853 A857 V858 C859 | L832-A855 HydrophobicContact CB-CB 3.78Å; L832-A855 HydrophobicContact CD1-CB 4.32Å; V833-A855 HydrophobicContact CG2-CB 3.79Å; F851-A855 PolarHBondContact O-N 3.36Å; Y852-A855 WeakPolarHBondContact O-CB 3.22Å; Y852-A855 PolarHBondContact O-N 3.46Å; L853-A855 VanDerWaalsContact C-N 3.35Å; A855-A857 PolarHBondContact O-N 2.78Å; A855-V858 PolarHBondContact O-N 2.9Å; A855-C859 PolarHBondContact O-N 3.43Å; A855-C859 PolarHBondContact O-SG 2.95Å; A855-C859 VanDerWaalsContact O-SG 3.35Å |
| 856 | G | 95.3 | Very high | 95 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.5 | -39.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y852 L853 Q854 C859 S860 | Y852-G856 PolarHBondContact O-N 2.87Å; L853-G856 PolarHBondContact O-N 2.98Å; Q854-G856 VanDerWaalsContact C-N 3.34Å; Q854-G856 PolarHBondContact O-N 2.95Å; G856-C859 PolarHBondContact O-SG 3.3Å; G856-S860 WeakPolarHBondContact O-CB 3.05Å; G856-S860 PolarHBondContact O-N 3.12Å; G856-S860 PolarHBondContact O-OG 2.91Å |
| 857 | A | 95.8 | Very high | 94.9 | Very high | 13 Ų | 13 | 35.2 Ų | 35.2 | 11% | 0.107 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.5 | -40.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | L853 Q854 A855 D861 F862 F863 | L853-A857 VanDerWaalsContact O-CB 3.29Å; L853-A857 WeakPolarHBondContact O-CB 3.4Å; L853-A857 PolarHBondContact O-N 2.93Å; Q854-A857 PolarHBondContact O-N 3.24Å; A855-A857 PolarHBondContact O-N 2.78Å; A857-D861 PolarHBondContact O-N 3.15Å; A857-F862 HydrophobicContact CB-CD2 4.13Å; A857-F862 PolarHBondContact O-N 2.85Å; A857-F863 HydrophobicContact CB-CE2 3.89Å; A857-F863 HydrophobicContact CB-CZ 4.03Å |
| 858 | V | 94.9 | Very high | 94.8 | Very high | 51 Ų | 51 | 35.7 Ų | 35.7 | 31% | 0.309 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.5 | -45 | 178.5 | 165.8 | 0 | 0 | 0 | 0 | 111.5 | N827 L832 Q854 A855 S860 | N827-V858 HydrophobicContact CB-CG1 4.16Å; N827-V858 WeakPolarHBondContact O-CG1 3.37Å; L832-V858 HydrophobicContact CD1-CG2 4.06Å; Q854-V858 WeakPolarHBondContact O-CB 3.41Å; Q854-V858 VanDerWaalsContact O-CG2 3.27Å; Q854-V858 WeakPolarHBondContact O-CG2 3.34Å; Q854-V858 PolarHBondContact O-N 3.37Å; A855-V858 PolarHBondContact O-N 2.9Å; V858-S860 VanDerWaalsContact C-N 3.33Å; V858-S860 PolarHBondContact O-N 3.49Å |
| 859 | C | 93.6 | Very high | 94.5 | Very high | 31 Ų | 31 | 40.4 Ų | 40.4 | 21% | 0.209 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -80.4 | -11.2 | -175 | 69.6 | 0 | 0 | 0 | 0 | 114.3 | A855 G856 P868 V871 | A855-C859 PolarHBondContact O-N 3.43Å; A855-C859 PolarHBondContact O-SG 2.95Å; A855-C859 VanDerWaalsContact O-SG 3.35Å; G856-C859 PolarHBondContact O-SG 3.3Å; C859-P868 HydrophobicContact CB-CG 4.45Å; C859-P868 VanDerWaalsContact SG-CD 3.55Å; C859-V871 HydrophobicContact CB-CG2 4.43Å |
| 860 | S | 93.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.1 | 12.9 | -170.6 | 70.4 | 0 | 0 | 0 | 0 | 115.3 | G856 V858 F863 T864 K865 | G856-S860 WeakPolarHBondContact O-CB 3.05Å; G856-S860 PolarHBondContact O-N 3.12Å; G856-S860 PolarHBondContact O-OG 2.91Å; V858-S860 VanDerWaalsContact C-N 3.33Å; V858-S860 PolarHBondContact O-N 3.49Å; S860-F863 PolarHBondContact O-N 3.1Å; S860-F863 WeakPolarHBondContact OG-CA 3.08Å; S860-F863 WeakPolarHBondContact OG-CD1 3.41Å; S860-F863 PolarHBondContact OG-N 3.23Å; S860-T864 PolarHBondContact O-N 2.79Å; S860-T864 VanDerWaalsContact O-N 3.14Å; S860-K865 WeakPolarHBondContact CB-O 3.35Å; S860-K865 PolarHBondContact O-N 3.45Å; S860-K865 VanDerWaalsContact O-N 3.09Å |
| 861 | D | 92.9 | Very high | 93.9 | Very high | 92 Ų | 92 | 45.3 Ų | 45.3 | 49% | 0.492 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 59.4 | -175 | -56.7 | -46 | 0 | 0 | 0 | 111.5 | A857 F863 T864 K865 | A857-D861 PolarHBondContact O-N 3.15Å; D861-F863 VanDerWaalsContact C-N 3.34Å; D861-F863 PolarHBondContact O-N 3.46Å; D861-T864 VanDerWaalsContact O-CB 3.25Å; D861-T864 WeakPolarHBondContact O-CB 3.3Å; D861-T864 PolarHBondContact O-N 2.7Å; D861-T864 PolarHBondContact O-OG1 2.95Å; D861-K865 WeakPolarHBondContact OD2-CE 3.47Å; D861-K865 IonicContact OD2-NZ 3.7Å; D861-K865 PolarHBondContact OD2-NZ 3.33Å |
| 862 | F | 94.3 | Very high | 93.7 | Very high | 85 Ų | 85 | 44.2 Ų | 44.2 | 37% | 0.373 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 46.1 | -177.4 | -159.7 | -107.3 | 0 | 0 | 0 | 112.6 | A857 T864 Q984 A987 | A857-F862 HydrophobicContact CB-CD2 4.13Å; A857-F862 PolarHBondContact O-N 2.85Å; F862-T864 PolarHBondContact O-N 3.45Å; F862-T864 VanDerWaalsContact O-N 3.15Å; F862-Q984 HydrophobicContact CD1-CG 4.14Å; F862-Q984 HydrophobicContact CE1-CB 4.44Å; F862-Q984 HydrophobicContact CE1-CG 4.11Å; F862-Q984 PolarHBondContact O-NE2 3.36Å; F862-A987 HydrophobicContact CE2-CB 3.96Å; F862-A987 HydrophobicContact CZ-CB 4.02Å |
| 863 | F | 95.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 19.8 | 179.5 | -45.2 | -74.1 | 0 | 0 | 0 | 114.2 | L853 A857 S860 D861 K865 V867 K980 L983 Q984 A987 | L853-F863 HydrophobicContact CD2-CZ 4.13Å; L853-F863 WeakPolarHBondContact O-CZ 3.48Å; A857-F863 HydrophobicContact CB-CE2 3.89Å; A857-F863 HydrophobicContact CB-CZ 4.03Å; S860-F863 PolarHBondContact O-N 3.1Å; S860-F863 WeakPolarHBondContact OG-CA 3.08Å; S860-F863 WeakPolarHBondContact OG-CD1 3.41Å; S860-F863 PolarHBondContact OG-N 3.23Å; D861-F863 VanDerWaalsContact C-N 3.34Å; D861-F863 PolarHBondContact O-N 3.46Å; F863-K865 CarbonylContact C-O 3.48Å; F863-K865 PolarHBondContact O-N 3.48Å; F863-V867 HydrophobicContact CD1-CG2 3.82Å; F863-V867 HydrophobicContact CE1-CG2 4.06Å; F863-K980 WeakPolarHBondContact O-CD 3.39Å; F863-K980 VanDerWaalsContact O-CG 3.24Å; F863-K980 WeakPolarHBondContact O-CG 3.23Å; F863-L983 HydrophobicContact CB-CB 4.12Å; F863-L983 HydrophobicContact CD1-CB 3.72Å; F863-L983 HydrophobicContact CD1-CD1 3.49Å; F863-L983 VanDerWaalsContact CD1-CD1 3.49Å; F863-L983 HydrophobicContact CD1-CG 4.19Å; F863-L983 HydrophobicContact CD2-CB 3.86Å; F863-L983 HydrophobicContact CE1-CB 4Å; F863-L983 HydrophobicContact CE1-CD1 3.84Å; F863-L983 HydrophobicContact CE1-CD2 4.49Å; F863-L983 HydrophobicContact CE1-CG 4.34Å; F863-L983 HydrophobicContact CE2-CB 4.17Å; F863-L983 HydrophobicContact CG-CB 3.6Å; F863-L983 HydrophobicContact CG-CD1 4.14Å; F863-L983 HydrophobicContact CZ-CB 4.2Å; F863-Q984 HydrophobicContact CB-CG 4.16Å; F863-Q984 HydrophobicContact CD2-CG 4.22Å; F863-A987 HydrophobicContact CE2-CB 3.95Å |
| 864 | T | 93.4 | Very high | 93.3 | Very high | 80 Ų | 80 | 49.1 Ų | 49.1 | 49% | 0.491 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -32.7 | 173 | -59 | 0 | 0 | 0 | 0 | 110.6 | S860 D861 F862 | S860-T864 PolarHBondContact O-N 2.79Å; S860-T864 VanDerWaalsContact O-N 3.14Å; D861-T864 VanDerWaalsContact O-CB 3.25Å; D861-T864 WeakPolarHBondContact O-CB 3.3Å; D861-T864 PolarHBondContact O-N 2.7Å; D861-T864 PolarHBondContact O-OG1 2.95Å; F862-T864 PolarHBondContact O-N 3.45Å; F862-T864 VanDerWaalsContact O-N 3.15Å |
| 865 | K | 92 | Very high | 93 | Very high | 124 Ų | 124 | 50.9 Ų | 50.9 | 54% | 0.539 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -107.7 | 160.8 | 174.8 | -67.5 | 170.6 | -174.4 | 157.7 | 0 | 110.6 | S860 D861 F863 | S860-K865 WeakPolarHBondContact CB-O 3.35Å; S860-K865 PolarHBondContact O-N 3.45Å; S860-K865 VanDerWaalsContact O-N 3.09Å; D861-K865 WeakPolarHBondContact OD2-CE 3.47Å; D861-K865 IonicContact OD2-NZ 3.7Å; D861-K865 PolarHBondContact OD2-NZ 3.33Å; F863-K865 CarbonylContact C-O 3.48Å; F863-K865 PolarHBondContact O-N 3.48Å |
| 866 | P | 91.4 | Very high | 92.9 | Very high | 93 Ų | 93 | 51.1 Ų | 51.1 | 60% | 0.604 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 141.7 | 171.2 | 27.3 | -33.7 | 0 | 0 | 0 | 110.5 | ||
| 867 | V | 93.5 | Very high | 92.9 | Very high | 28 Ų | 28 | 51.4 Ų | 51.4 | 17% | 0.17 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 134.3 | 176.3 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | F863 V871 Y872 L983 | F863-V867 HydrophobicContact CD1-CG2 3.82Å; F863-V867 HydrophobicContact CE1-CG2 4.06Å; V867-V871 HydrophobicContact CG1-CB 4.31Å; V867-V871 HydrophobicContact CG1-CG1 4.48Å; V867-Y872 HydrophobicContact CB-CD2 4.04Å; V867-Y872 HydrophobicContact CB-CG 4.25Å; V867-Y872 HydrophobicContact CG1-CD1 3.82Å; V867-Y872 HydrophobicContact CG1-CD2 3.76Å; V867-Y872 HydrophobicContact CG1-CE1 4.35Å; V867-Y872 HydrophobicContact CG1-CE2 4.3Å; V867-Y872 HydrophobicContact CG1-CG 3.49Å; V867-Y872 VanDerWaalsContact CG1-CG 3.49Å; V867-Y872 HydrophobicContact CG2-CD2 4.14Å; V867-Y872 HydrophobicContact CG2-CE2 4.14Å; V867-L983 HydrophobicContact CG2-CD1 4.32Å |
| 868 | P | 93.6 | Very high | 92.9 | Very high | 40 Ų | 40 | 56.4 Ų | 56.4 | 26% | 0.26 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -59 | 139 | 176.7 | -25.1 | 35.9 | 0 | 0 | 0 | 112.5 | C859 D870 V871 Y872 | C859-P868 HydrophobicContact CB-CG 4.45Å; C859-P868 VanDerWaalsContact SG-CD 3.55Å; P868-D870 WeakPolarHBondContact CB-OD1 3.31Å; P868-D870 PolarHBondContact O-N 3.27Å; P868-V871 HydrophobicContact CB-CG2 4.2Å; P868-V871 PolarHBondContact O-N 2.86Å; P868-V871 VanDerWaalsContact O-N 3.07Å; P868-Y872 PolarHBondContact O-N 3.42Å; P868-Y872 VanDerWaalsContact O-N 3.08Å |
| 869 | P | 89.7 | Confident | 92.9 | Very high | 98 Ų | 98 | 54.6 Ų | 54.6 | 64% | 0.636 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -16.9 | -175.1 | 29.1 | -35.7 | 0 | 0 | 0 | 113.9 | ||
| 870 | D | 88.4 | Confident | 93 | Very high | 111 Ų | 111 | 53.1 Ų | 53.1 | 59% | 0.594 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -25.1 | 171.5 | 58.5 | -55.1 | 0 | 0 | 0 | 112.6 | P868 | P868-D870 WeakPolarHBondContact CB-OD1 3.31Å; P868-D870 PolarHBondContact O-N 3.27Å |
| 871 | V | 90.7 | Very high | 93.2 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -55 | 176.3 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | Q829 C859 V867 P868 T873 | Q829-V871 HydrophobicContact CG-CG2 4.42Å; Q829-V871 VanDerWaalsContact NE2-CG2 3.29Å; C859-V871 HydrophobicContact CB-CG2 4.43Å; V867-V871 HydrophobicContact CG1-CB 4.31Å; V867-V871 HydrophobicContact CG1-CG1 4.48Å; P868-V871 HydrophobicContact CB-CG2 4.2Å; P868-V871 PolarHBondContact O-N 2.86Å; P868-V871 VanDerWaalsContact O-N 3.07Å; V871-T873 PolarHBondContact O-N 3.23Å |
| 872 | Y | 93.8 | Very high | 93.3 | Very high | 18 Ų | 18 | 53.6 Ų | 53.6 | 7% | 0.071 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -94.5 | 75.8 | 174 | -83.1 | 14.6 | 0 | 0 | 0 | 110.2 | Y852 V867 P868 V876 L877 M880 L983 | Y852-Y872 WeakPolarHBondContact O-CE1 3.42Å; Y852-Y872 PolarHBondContact O-OH 2.93Å; Y852-Y872 VanDerWaalsContact O-OH 3.07Å; V867-Y872 HydrophobicContact CB-CD2 4.04Å; V867-Y872 HydrophobicContact CB-CG 4.25Å; V867-Y872 HydrophobicContact CG1-CD1 3.82Å; V867-Y872 HydrophobicContact CG1-CD2 3.76Å; V867-Y872 HydrophobicContact CG1-CE1 4.35Å; V867-Y872 HydrophobicContact CG1-CE2 4.3Å; V867-Y872 HydrophobicContact CG1-CG 3.49Å; V867-Y872 VanDerWaalsContact CG1-CG 3.49Å; V867-Y872 HydrophobicContact CG2-CD2 4.14Å; V867-Y872 HydrophobicContact CG2-CE2 4.14Å; P868-Y872 PolarHBondContact O-N 3.42Å; P868-Y872 VanDerWaalsContact O-N 3.08Å; Y872-V876 HydrophobicContact CD1-CG1 4.04Å; Y872-V876 HydrophobicContact CE1-CG1 4.38Å; Y872-L877 HydrophobicContact CD2-CD2 4.05Å; Y872-L877 HydrophobicContact CG-CD2 4.48Å; Y872-M880 HydrophobicContact CE1-SD 4.48Å; Y872-M880 HydrophobicContact CE2-SD 4.32Å; Y872-L983 HydrophobicContact CE2-CD1 4.43Å; Y872-L983 HydrophobicContact CE2-CD2 4.31Å |
| 873 | T | 92.6 | Very high | 93.4 | Very high | 50 Ų | 50 | 49.5 Ų | 49.5 | 31% | 0.307 | 26% | 0.263 | S | S | . | . | trans | -72.4 | 161.7 | 170 | 65.7 | 0 | 0 | 0 | 0 | 110.8 | V871 Q875 V876 L877 | V871-T873 PolarHBondContact O-N 3.23Å; T873-Q875 PolarHBondContact O-N 3.33Å; T873-Q875 VanDerWaalsContact O-N 3.11Å; T873-V876 PolarHBondContact O-N 3.09Å; T873-V876 PolarHBondContact OG1-N 3.43Å; T873-L877 PolarHBondContact O-N 3.28Å | ||
| 874 | D | 91.5 | Very high | 93.4 | Very high | 54 Ų | 54 | 49.3 Ų | 49.3 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56 | -30 | 173.5 | -73.5 | -8.2 | 0 | 0 | 0 | 112 | K878 L900 | D874-K878 VanDerWaalsContact O-CB 3.29Å; D874-K878 WeakPolarHBondContact O-CB 3.39Å; D874-K878 WeakPolarHBondContact O-CG 3.44Å; D874-K878 PolarHBondContact O-N 3.16Å; D874-L900 HydrophobicContact CB-CD2 4.17Å |
| 875 | Q | 90.7 | Very high | 93.4 | Very high | 87 Ų | 87 | 48 Ų | 48 | 41% | 0.407 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.4 | -46.9 | 175.3 | -174.5 | 178.9 | 10.2 | 0 | 0 | 111.7 | T873 K878 R879 | T873-Q875 PolarHBondContact O-N 3.33Å; T873-Q875 VanDerWaalsContact O-N 3.11Å; Q875-K878 PolarHBondContact O-N 2.96Å; Q875-R879 WeakPolarHBondContact O-CG 3.47Å; Q875-R879 PolarHBondContact O-N 3.46Å |
| 876 | V | 93.9 | Very high | 93.5 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.03 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | 177.1 | 170.9 | 0 | 0 | 0 | 0 | 110.2 | V833 Y852 Y872 T873 K878 R879 M880 | V833-V876 HydrophobicContact CG1-CG2 4.28Å; Y852-V876 HydrophobicContact CD1-CG1 3.61Å; Y852-V876 HydrophobicContact CE1-CG1 3.89Å; Y852-V876 HydrophobicContact CE1-CG2 4.35Å; Y852-V876 HydrophobicContact CG-CG1 4.2Å; Y872-V876 HydrophobicContact CD1-CG1 4.04Å; Y872-V876 HydrophobicContact CE1-CG1 4.38Å; T873-V876 PolarHBondContact O-N 3.09Å; T873-V876 PolarHBondContact OG1-N 3.43Å; V876-K878 PolarHBondContact O-N 3.25Å; V876-R879 WeakPolarHBondContact O-CB 3.36Å; V876-R879 PolarHBondContact O-N 3.46Å; V876-R879 VanDerWaalsContact O-N 3.11Å; V876-M880 HydrophobicContact CG1-CG 4.48Å; V876-M880 HydrophobicContact CG1-SD 4.21Å; V876-M880 WeakPolarHBondContact O-CG 3.29Å; V876-M880 PolarHBondContact O-N 2.85Å |
| 877 | L | 95.5 | Very high | 93.7 | Very high | 6 Ų | 6 | 44.7 Ų | 44.7 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62 | -42.7 | 177.7 | -68.8 | 172.5 | 0 | 0 | 0 | 112.1 | Y872 T873 R879 M880 I881 F899 L900 | Y872-L877 HydrophobicContact CD2-CD2 4.05Å; Y872-L877 HydrophobicContact CG-CD2 4.48Å; T873-L877 PolarHBondContact O-N 3.28Å; L877-R879 VanDerWaalsContact C-N 3.29Å; L877-R879 PolarHBondContact O-N 3.1Å; L877-M880 HydrophobicContact CD2-SD 4.24Å; L877-M880 PolarHBondContact O-N 3.25Å; L877-I881 VanDerWaalsContact O-CG1 3.29Å; L877-I881 WeakPolarHBondContact O-CG1 3.47Å; L877-I881 PolarHBondContact O-N 2.9Å; L877-F899 HydrophobicContact CD1-CB 3.93Å; L877-F899 WeakPolarHBondContact CD1-O 3.41Å; L877-F899 HydrophobicContact CD2-CB 3.92Å; L877-L900 HydrophobicContact CB-CD2 3.66Å; L877-L900 HydrophobicContact CD1-CD2 4.08Å |
| 878 | K | 94.6 | Very high | 93.7 | Very high | 119 Ų | 119 | 46 Ų | 46 | 52% | 0.517 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.2 | -35.9 | 173.5 | -76.8 | 172.5 | -178.2 | 179.8 | 0 | 112.5 | D874 Q875 V876 K882 L900 | D874-K878 VanDerWaalsContact O-CB 3.29Å; D874-K878 WeakPolarHBondContact O-CB 3.39Å; D874-K878 WeakPolarHBondContact O-CG 3.44Å; D874-K878 PolarHBondContact O-N 3.16Å; Q875-K878 PolarHBondContact O-N 2.96Å; V876-K878 PolarHBondContact O-N 3.25Å; K878-K882 WeakPolarHBondContact O-CB 3.38Å; K878-K882 PolarHBondContact O-N 3.32Å; K878-L900 HydrophobicContact CG-CD2 4.26Å |
| 879 | R | 94.6 | Very high | 93.8 | Very high | 13 Ų | 13 | 44.5 Ų | 44.5 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.6 | -42.9 | 173.4 | -72.8 | -175 | 173.6 | 167 | -0.3 | 112 | E786 D837 F840 Y852 Q875 V876 L877 I881 K882 C883 | E786-R879 PolarHBondContact O-NH1 3.31Å; E786-R879 VanDerWaalsContact O-NH1 3.13Å; E786-R879 PolarHBondContact O-NH2 3.45Å; D837-R879 IonicContact OD1-CZ 2.69Å; D837-R879 IonicContact OD1-NH1 3.59Å; D837-R879 PolarHBondContact OD1-NH1 3.4Å; D837-R879 IonicContact OD2-NH1 3.92Å; D837-R879 PolarHBondContact OD2-NH1 3.34Å; F840-R879 HydrophobicContact CD1-CG 4.3Å; F840-R879 HydrophobicContact CD2-CB 4.21Å; F840-R879 HydrophobicContact CD2-CG 4.41Å; F840-R879 HydrophobicContact CE1-CG 4Å; F840-R879 HydrophobicContact CE2-CB 4.02Å; F840-R879 HydrophobicContact CE2-CG 4.11Å; F840-R879 HydrophobicContact CG-CG 4.48Å; F840-R879 HydrophobicContact CZ-CB 4.3Å; F840-R879 HydrophobicContact CZ-CG 3.88Å; Y852-R879 HydrophobicContact CE2-CB 4.04Å; Y852-R879 WeakPolarHBondContact OH-CD 3.39Å; Q875-R879 WeakPolarHBondContact O-CG 3.47Å; Q875-R879 PolarHBondContact O-N 3.46Å; V876-R879 WeakPolarHBondContact O-CB 3.36Å; V876-R879 PolarHBondContact O-N 3.46Å; V876-R879 VanDerWaalsContact O-N 3.11Å; L877-R879 VanDerWaalsContact C-N 3.29Å; L877-R879 PolarHBondContact O-N 3.1Å; R879-I881 VanDerWaalsContact C-N 3.33Å; R879-I881 PolarHBondContact O-N 3.35Å; R879-K882 PolarHBondContact O-N 3.02Å; R879-C883 PolarHBondContact O-N 3.32Å; R879-C883 PolarHBondContact O-SG 3.37Å |
| 880 | M | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -44.2 | 173.4 | -66.6 | 175.3 | 73.2 | 0 | 0 | 111.3 | L849 Y852 L853 Y872 V876 L877 K882 C883 C884 L896 M986 | L849-M880 HydrophobicContact CD1-CB 4Å; L849-M880 HydrophobicContact CD1-CE 3.71Å; L849-M880 HydrophobicContact CD1-CG 3.95Å; Y852-M880 HydrophobicContact CD2-CG 3.74Å; Y852-M880 HydrophobicContact CE2-CG 4.46Å; Y852-M880 HydrophobicContact CG-CG 4.01Å; L853-M880 HydrophobicContact CD2-CE 3.96Å; L853-M880 HydrophobicContact CG-CE 4.27Å; Y872-M880 HydrophobicContact CE1-SD 4.48Å; Y872-M880 HydrophobicContact CE2-SD 4.32Å; V876-M880 HydrophobicContact CG1-CG 4.48Å; V876-M880 HydrophobicContact CG1-SD 4.21Å; V876-M880 WeakPolarHBondContact O-CG 3.29Å; V876-M880 PolarHBondContact O-N 2.85Å; L877-M880 HydrophobicContact CD2-SD 4.24Å; L877-M880 PolarHBondContact O-N 3.25Å; M880-K882 PolarHBondContact O-N 3.28Å; M880-C883 WeakPolarHBondContact O-CB 3.49Å; M880-C883 PolarHBondContact O-N 3.37Å; M880-C884 PolarHBondContact O-N 3.42Å; M880-C884 PolarHBondContact O-SG 2.93Å; M880-C884 VanDerWaalsContact O-SG 3.35Å; M880-L896 HydrophobicContact CB-CD1 4.1Å; M880-L896 HydrophobicContact CE-CD2 4.28Å; M880-M986 HydrophobicContact CE-CE 3.9Å |
| 881 | I | 96.8 | Very high | 94.3 | Very high | 12 Ų | 12 | 35 Ų | 35 | 6% | 0.062 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.2 | -49.1 | 174.1 | -72.4 | 163.1 | 0 | 0 | 0 | 110.6 | L877 R879 C883 C884 S885 V893 L896 L900 T907 | L877-I881 VanDerWaalsContact O-CG1 3.29Å; L877-I881 WeakPolarHBondContact O-CG1 3.47Å; L877-I881 PolarHBondContact O-N 2.9Å; R879-I881 VanDerWaalsContact C-N 3.33Å; R879-I881 PolarHBondContact O-N 3.35Å; I881-C883 PolarHBondContact O-N 2.69Å; I881-C884 PolarHBondContact O-N 3.11Å; I881-S885 WeakPolarHBondContact O-CB 3.28Å; I881-S885 PolarHBondContact O-N 3.34Å; I881-V893 HydrophobicContact CG2-CG1 3.89Å; I881-V893 WeakPolarHBondContact O-CG2 3.35Å; I881-L896 HydrophobicContact CD1-CB 4.34Å; I881-L896 HydrophobicContact CG1-CB 3.6Å; I881-L896 HydrophobicContact CG1-CD1 4.42Å; I881-L900 HydrophobicContact CD1-CD1 4.07Å; I881-L900 HydrophobicContact CD1-CG 4.41Å; I881-T907 HydrophobicContact CG2-CG2 3.91Å |
| 882 | K | 95.4 | Very high | 94.6 | Very high | 90 Ų | 90 | 34.7 Ų | 34.7 | 39% | 0.391 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.3 | -38.6 | 177.9 | -178.9 | 160.6 | 163.1 | -167.7 | 0 | 112.2 | F840 K878 R879 M880 S885 M886 | F840-K882 HydrophobicContact CE2-CB 4.11Å; F840-K882 HydrophobicContact CE2-CD 4.28Å; F840-K882 HydrophobicContact CE2-CG 4.07Å; F840-K882 HydrophobicContact CZ-CB 4.32Å; F840-K882 HydrophobicContact CZ-CD 3.81Å; F840-K882 HydrophobicContact CZ-CG 4.11Å; K878-K882 WeakPolarHBondContact O-CB 3.38Å; K878-K882 PolarHBondContact O-N 3.32Å; R879-K882 PolarHBondContact O-N 3.02Å; M880-K882 PolarHBondContact O-N 3.28Å; K882-S885 PolarHBondContact O-N 3.47Å; K882-M886 HydrophobicContact CG-CG 4.36Å; K882-M886 VanDerWaalsContact O-CG 3.26Å; K882-M886 WeakPolarHBondContact O-CG 3.38Å; K882-M886 PolarHBondContact O-N 3.43Å |
| 883 | C | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.8 | -51.5 | 173 | -71.5 | 0 | 0 | 0 | 0 | 111.3 | F840 L849 R879 M880 I881 S885 M886 M887 | F840-C883 VanDerWaalsContact CD2-SG 3.56Å; L849-C883 HydrophobicContact CB-CB 4.36Å; R879-C883 PolarHBondContact O-N 3.32Å; R879-C883 PolarHBondContact O-SG 3.37Å; M880-C883 WeakPolarHBondContact O-CB 3.49Å; M880-C883 PolarHBondContact O-N 3.37Å; I881-C883 PolarHBondContact O-N 2.69Å; C883-S885 VanDerWaalsContact C-N 3.34Å; C883-S885 PolarHBondContact O-N 3.08Å; C883-M886 PolarHBondContact O-N 2.92Å; C883-M887 HydrophobicContact CB-CE 4.36Å; C883-M887 WeakPolarHBondContact O-CE 3.48Å; C883-M887 VanDerWaalsContact O-CG 3.31Å; C883-M887 WeakPolarHBondContact O-CG 3.31Å; C883-M887 PolarHBondContact O-N 3.49Å; C883-M887 VanDerWaalsContact O-N 3.11Å |
| 884 | C | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62 | -41.6 | 180 | -66.6 | 0 | 0 | 0 | 0 | 111.8 | M880 I881 M886 M887 N888 C889 Q892 V893 | M880-C884 PolarHBondContact O-N 3.42Å; M880-C884 PolarHBondContact O-SG 2.93Å; M880-C884 VanDerWaalsContact O-SG 3.35Å; I881-C884 PolarHBondContact O-N 3.11Å; C884-M886 PolarHBondContact O-N 3.49Å; C884-M887 CarbonylContact O-C 3.52Å; C884-M887 PolarHBondContact O-N 2.95Å; C884-N888 PolarHBondContact O-N 3.02Å; C884-C889 HydrophobicContact CB-CB 4.13Å; C884-C889 PolarHBondContact O-N 3.46Å; C884-Q892 HydrophobicContact CB-CB 4.37Å; C884-V893 HydrophobicContact CB-CG2 3.6Å |
| 885 | S | 95.1 | Very high | 95.1 | Very high | 51 Ų | 51 | 29 Ų | 29 | 36% | 0.357 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 177.1 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | I881 K882 C883 M887 N888 | I881-S885 WeakPolarHBondContact O-CB 3.28Å; I881-S885 PolarHBondContact O-N 3.34Å; K882-S885 PolarHBondContact O-N 3.47Å; C883-S885 VanDerWaalsContact C-N 3.34Å; C883-S885 PolarHBondContact O-N 3.08Å; S885-M887 PolarHBondContact O-N 3.08Å; S885-N888 PolarHBondContact O-N 2.97Å; S885-N888 VanDerWaalsContact O-N 3.09Å |
| 886 | M | 94.3 | Very high | 95.4 | Very high | 104 Ų | 104 | 24.8 Ų | 24.8 | 51% | 0.512 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -70.2 | -17.1 | 178.4 | -65.2 | -60.3 | -63.6 | 0 | 0 | 113.5 | Y845 K882 C883 C884 | Y845-M886 HydrophobicContact CD2-CB 3.4Å; Y845-M886 VanDerWaalsContact CD2-CB 3.4Å; Y845-M886 HydrophobicContact CD2-CG 4.12Å; Y845-M886 HydrophobicContact CE1-CG 4.33Å; Y845-M886 HydrophobicContact CE2-CB 3.44Å; Y845-M886 VanDerWaalsContact CE2-CB 3.44Å; Y845-M886 HydrophobicContact CE2-CE 3.92Å; Y845-M886 HydrophobicContact CE2-CG 3.7Å; Y845-M886 HydrophobicContact CG-CB 3.97Å; K882-M886 HydrophobicContact CG-CG 4.36Å; K882-M886 VanDerWaalsContact O-CG 3.26Å; K882-M886 WeakPolarHBondContact O-CG 3.38Å; K882-M886 PolarHBondContact O-N 3.43Å; C883-M886 PolarHBondContact O-N 2.92Å; C884-M886 PolarHBondContact O-N 3.49Å |
| 887 | M | 93.8 | Very high | 95.5 | Very high | 44 Ų | 44 | 24.6 Ų | 24.6 | 22% | 0.217 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 5.8 | 173.2 | -66.4 | -173.4 | -61.2 | 0 | 0 | 113.1 | S846 L849 C883 C884 S885 C889 Y990 | S846-M887 WeakPolarHBondContact CA-SD 3.42Å; L849-M887 HydrophobicContact CB-CE 4.36Å; L849-M887 HydrophobicContact CD2-CE 3.6Å; C883-M887 HydrophobicContact CB-CE 4.36Å; C883-M887 WeakPolarHBondContact O-CE 3.48Å; C883-M887 VanDerWaalsContact O-CG 3.31Å; C883-M887 WeakPolarHBondContact O-CG 3.31Å; C883-M887 PolarHBondContact O-N 3.49Å; C883-M887 VanDerWaalsContact O-N 3.11Å; C884-M887 CarbonylContact O-C 3.52Å; C884-M887 PolarHBondContact O-N 2.95Å; S885-M887 PolarHBondContact O-N 3.08Å; M887-C889 VanDerWaalsContact C-N 3.28Å; M887-C889 PolarHBondContact O-N 3.48Å; M887-Y990 HydrophobicContact CE-CE1 4.17Å |
| 888 | N | 94.6 | Very high | 95.6 | Very high | 56 Ų | 56 | 24.5 Ų | 24.5 | 30% | 0.299 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 30.5 | -174.5 | -54 | -50.9 | 0 | 0 | 0 | 114.1 | C884 S885 H890 S917 H918 | C884-N888 PolarHBondContact O-N 3.02Å; S885-N888 PolarHBondContact O-N 2.97Å; S885-N888 VanDerWaalsContact O-N 3.09Å; N888-H890 PolarHBondContact O-N 3.12Å; N888-S917 CarbonylContact O-C 3.55Å; N888-S917 WeakPolarHBondContact O-CA 3.25Å; N888-H918 PolarHBondContact O-N 3.22Å |
| 889 | C | 95.5 | Very high | 95.6 | Very high | 9 Ų | 9 | 20 Ų | 20 | 6% | 0.061 | 10% | 0.102 | C | C | . | . | trans | -97.2 | 68.9 | 174.8 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | C884 M887 T891 Q892 V893 D919 | C884-C889 HydrophobicContact CB-CB 4.13Å; C884-C889 PolarHBondContact O-N 3.46Å; M887-C889 VanDerWaalsContact C-N 3.28Å; M887-C889 PolarHBondContact O-N 3.48Å; C889-T891 PolarHBondContact O-N 3.33Å; C889-Q892 HydrophobicContact CB-CB 4.09Å; C889-Q892 HydrophobicContact CB-CG 4.2Å; C889-Q892 PolarHBondContact O-N 3.4Å; C889-V893 WeakPolarHBondContact O-CG2 3.4Å; C889-V893 PolarHBondContact O-N 2.99Å; C889-V893 VanDerWaalsContact O-N 3.13Å; C889-D919 WeakPolarHBondContact CA-OD2 3.21Å; C889-D919 HydrophobicContact CB-CB 3.94Å | ||
| 890 | H | 95 | Very high | 95.6 | Very high | 8 Ų | 8 | 20 Ų | 20 | 4% | 0.037 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -72.3 | -27.5 | -168.4 | -58.7 | -49.9 | 0 | 0 | 0 | 115.1 | N888 V893 A894 A911 E914 N916 S917 D919 | N888-H890 PolarHBondContact O-N 3.12Å; H890-V893 WeakPolarHBondContact O-CB 3.41Å; H890-A894 PolarHBondContact O-N 3.2Å; H890-A911 HydrophobicContact CB-CB 4.11Å; H890-A911 WeakPolarHBondContact CB-O 3.4Å; H890-E914 VanDerWaalsContact CD2-CB 3.46Å; H890-E914 WeakPolarHBondContact CD2-CB 3.36Å; H890-E914 WeakPolarHBondContact NE2-CB 3.46Å; H890-N916 PolarHBondContact NE2-OD1 3.02Å; H890-S917 PolarHBondContact CD2-OG 3.33Å; H890-D919 PolarHBondContact N-OD2 2.93Å |
| 891 | T | 94.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -74.9 | -40.8 | 174.8 | -38.4 | 0 | 0 | 0 | 0 | 110.5 | C889 V893 A894 V895 D919 M921 F924 Y925 | C889-T891 PolarHBondContact O-N 3.33Å; T891-V893 PolarHBondContact O-N 2.7Å; T891-A894 PolarHBondContact O-N 2.9Å; T891-A894 VanDerWaalsContact O-N 3.13Å; T891-V895 WeakPolarHBondContact O-CG2 3.22Å; T891-V895 PolarHBondContact O-N 3.37Å; T891-D919 VanDerWaalsContact CA-OD2 3.24Å; T891-D919 WeakPolarHBondContact CA-OD2 3.36Å; T891-D919 WeakPolarHBondContact CB-OD1 3.4Å; T891-D919 WeakPolarHBondContact CB-OD2 3.27Å; T891-D919 PolarHBondContact N-OD2 2.85Å; T891-D919 PolarHBondContact OG1-OD1 3.37Å; T891-D919 PolarHBondContact OG1-OD2 3.41Å; T891-M921 WeakPolarHBondContact OG1-CA 3.38Å; T891-F924 HydrophobicContact CG2-CB 3.65Å; T891-Y925 HydrophobicContact CG2-CD1 4.47Å; T891-Y925 HydrophobicContact CG2-CE1 4.25Å |
| 892 | Q | 95.9 | Very high | 95 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.1 | -37.5 | 172.3 | -65.7 | 175.7 | 19.6 | 0 | 0 | 111.2 | C884 C889 V895 L896 D919 F924 F982 Y990 | C884-Q892 HydrophobicContact CB-CB 4.37Å; C889-Q892 HydrophobicContact CB-CB 4.09Å; C889-Q892 HydrophobicContact CB-CG 4.2Å; C889-Q892 PolarHBondContact O-N 3.4Å; Q892-V895 PolarHBondContact O-N 3.12Å; Q892-L896 WeakPolarHBondContact O-CB 3.43Å; Q892-L896 VanDerWaalsContact O-CG 3.31Å; Q892-L896 WeakPolarHBondContact O-CG 3.21Å; Q892-L896 PolarHBondContact O-N 2.82Å; Q892-D919 HydrophobicContact CG-CB 4.05Å; Q892-D919 PolarHBondContact N-OD2 3.46Å; Q892-F924 HydrophobicContact CG-CE1 4.27Å; Q892-F924 HydrophobicContact CG-CZ 4.47Å; Q892-F982 HydrophobicContact CB-CZ 4.25Å; Q892-F982 HydrophobicContact CG-CE2 4.37Å; Q892-F982 HydrophobicContact CG-CZ 4.44Å; Q892-Y990 PolarHBondContact OE1-OH 3.21Å |
| 893 | V | 97 | Very high | 95 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.3 | -53.3 | 171.6 | 166.9 | 0 | 0 | 0 | 0 | 111.1 | I881 C884 C889 H890 T891 V895 L896 C897 T907 A911 | I881-V893 HydrophobicContact CG2-CG1 3.89Å; I881-V893 WeakPolarHBondContact O-CG2 3.35Å; C884-V893 HydrophobicContact CB-CG2 3.6Å; C889-V893 WeakPolarHBondContact O-CG2 3.4Å; C889-V893 PolarHBondContact O-N 2.99Å; C889-V893 VanDerWaalsContact O-N 3.13Å; H890-V893 WeakPolarHBondContact O-CB 3.41Å; T891-V893 PolarHBondContact O-N 2.7Å; V893-V895 VanDerWaalsContact C-N 3.27Å; V893-V895 PolarHBondContact O-N 2.87Å; V893-L896 PolarHBondContact O-N 2.92Å; V893-L896 VanDerWaalsContact O-N 3.14Å; V893-C897 PolarHBondContact O-N 3.32Å; V893-C897 PolarHBondContact O-SG 3.42Å; V893-T907 HydrophobicContact CG1-CG2 4.11Å; V893-A911 HydrophobicContact CB-CB 4.02Å; V893-A911 HydrophobicContact CG1-CB 3.61Å |
| 894 | A | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.5 | -39 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | H890 T891 A908 L912 | H890-A894 PolarHBondContact O-N 3.2Å; T891-A894 PolarHBondContact O-N 2.9Å; T891-A894 VanDerWaalsContact O-N 3.13Å; A894-A908 HydrophobicContact CB-CB 4.31Å; A894-L912 HydrophobicContact CB-CD1 3.79Å; A894-L912 HydrophobicContact CB-CD2 3.76Å; A894-L912 HydrophobicContact CB-CG 3.74Å |
| 895 | V | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.5 | -45.7 | 175.5 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | T891 Q892 V893 C897 Q898 F899 I928 F982 | T891-V895 WeakPolarHBondContact O-CG2 3.22Å; T891-V895 PolarHBondContact O-N 3.37Å; Q892-V895 PolarHBondContact O-N 3.12Å; V893-V895 VanDerWaalsContact C-N 3.27Å; V893-V895 PolarHBondContact O-N 2.87Å; V895-C897 VanDerWaalsContact C-N 3.33Å; V895-C897 PolarHBondContact O-N 3.31Å; V895-Q898 WeakPolarHBondContact O-CB 3.31Å; V895-Q898 PolarHBondContact O-N 3.45Å; V895-Q898 PolarHBondContact O-NE2 2.99Å; V895-F899 HydrophobicContact CG1-CE2 4.06Å; V895-F899 WeakPolarHBondContact O-CD2 3.41Å; V895-I928 HydrophobicContact CG2-CG1 3.9Å; V895-F982 HydrophobicContact CB-CD2 4.19Å; V895-F982 HydrophobicContact CB-CE1 4.27Å; V895-F982 HydrophobicContact CB-CE2 3.76Å; V895-F982 HydrophobicContact CB-CZ 3.79Å; V895-F982 HydrophobicContact CG1-CB 4.37Å; V895-F982 HydrophobicContact CG1-CD1 3.76Å; V895-F982 HydrophobicContact CG1-CD2 3.6Å; V895-F982 HydrophobicContact CG1-CE1 3.82Å; V895-F982 HydrophobicContact CG1-CE2 3.66Å; V895-F982 HydrophobicContact CG1-CG 3.62Å; V895-F982 HydrophobicContact CG1-CZ 3.76Å; V895-F982 HydrophobicContact CG2-CD2 4.47Å; V895-F982 HydrophobicContact CG2-CE2 4.15Å |
| 896 | L | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65 | -30.9 | 178.9 | -76.7 | 170.7 | 0 | 0 | 0 | 113.5 | M880 I881 Q892 V893 Q898 F899 F982 M986 | M880-L896 HydrophobicContact CB-CD1 4.1Å; M880-L896 HydrophobicContact CE-CD2 4.28Å; I881-L896 HydrophobicContact CD1-CB 4.34Å; I881-L896 HydrophobicContact CG1-CB 3.6Å; I881-L896 HydrophobicContact CG1-CD1 4.42Å; Q892-L896 WeakPolarHBondContact O-CB 3.43Å; Q892-L896 VanDerWaalsContact O-CG 3.31Å; Q892-L896 WeakPolarHBondContact O-CG 3.21Å; Q892-L896 PolarHBondContact O-N 2.82Å; V893-L896 PolarHBondContact O-N 2.92Å; V893-L896 VanDerWaalsContact O-N 3.14Å; L896-Q898 PolarHBondContact O-N 3.42Å; L896-Q898 VanDerWaalsContact O-N 3.16Å; L896-F899 HydrophobicContact CD2-CD2 4.42Å; L896-F899 WeakPolarHBondContact O-CB 3.32Å; L896-F899 PolarHBondContact O-N 2.93Å; L896-F982 HydrophobicContact CD2-CE1 3.81Å; L896-F982 HydrophobicContact CG-CE1 3.9Å; L896-F982 HydrophobicContact CG-CZ 4.19Å; L896-M986 HydrophobicContact CD2-CE 4.2Å |
| 897 | C | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.7 | -27.4 | 174.6 | -74.3 | 0 | 0 | 0 | 0 | 112.8 | V893 V895 F899 A908 | V893-C897 PolarHBondContact O-N 3.32Å; V893-C897 PolarHBondContact O-SG 3.42Å; V895-C897 VanDerWaalsContact C-N 3.33Å; V895-C897 PolarHBondContact O-N 3.31Å; C897-F899 VanDerWaalsContact C-N 3.3Å; C897-F899 PolarHBondContact O-N 3.35Å; C897-A908 HydrophobicContact CB-CB 3.98Å |
| 898 | Q | 95.8 | Very high | 95 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 2% | 0.023 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -14.1 | 175.6 | -54.3 | 168.1 | 100 | 0 | 0 | 113.4 | V895 L896 L900 W929 D930 I933 | V895-Q898 WeakPolarHBondContact O-CB 3.31Å; V895-Q898 PolarHBondContact O-N 3.45Å; V895-Q898 PolarHBondContact O-NE2 2.99Å; L896-Q898 PolarHBondContact O-N 3.42Å; L896-Q898 VanDerWaalsContact O-N 3.16Å; Q898-L900 VanDerWaalsContact C-N 3.34Å; Q898-W929 HydrophobicContact CB-CD2 4.47Å; Q898-W929 HydrophobicContact CB-CH2 3.51Å; Q898-W929 HydrophobicContact CB-CZ2 3.22Å; Q898-W929 HydrophobicContact CB-CZ3 4.26Å; Q898-W929 HydrophobicContact CG-CH2 4.49Å; Q898-W929 HydrophobicContact CG-CZ2 4.29Å; Q898-W929 WeakPolarHBondContact O-CZ2 3.48Å; Q898-D930 HydrophobicContact CG-CB 4.14Å; Q898-I933 HydrophobicContact CG-CD1 3.56Å |
| 899 | F | 95 | Very high | 95.1 | Very high | 24 Ų | 24 | 41.5 Ų | 41.5 | 11% | 0.105 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -19.4 | -179 | -76.8 | -114.1 | 0 | 0 | 0 | 112.9 | L877 V895 L896 C897 W929 K979 F982 L983 | L877-F899 HydrophobicContact CD1-CB 3.93Å; L877-F899 WeakPolarHBondContact CD1-O 3.41Å; L877-F899 HydrophobicContact CD2-CB 3.92Å; V895-F899 HydrophobicContact CG1-CE2 4.06Å; V895-F899 WeakPolarHBondContact O-CD2 3.41Å; L896-F899 HydrophobicContact CD2-CD2 4.42Å; L896-F899 WeakPolarHBondContact O-CB 3.32Å; L896-F899 PolarHBondContact O-N 2.93Å; C897-F899 VanDerWaalsContact C-N 3.3Å; C897-F899 PolarHBondContact O-N 3.35Å; F899-W929 AromaticContact CD2-CH2 3.8Å; F899-W929 HydrophobicContact CD2-CH2 3.8Å; F899-W929 AromaticContact CE2-CH2 3.67Å; F899-W929 HydrophobicContact CE2-CH2 3.67Å; F899-W929 HydrophobicContact CE2-CZ3 4.07Å; F899-W929 HydrophobicContact CZ-CH2 4.35Å; F899-K979 HydrophobicContact CD1-CD 4.19Å; F899-K979 HydrophobicContact CD1-CG 4.17Å; F899-K979 HydrophobicContact CE1-CB 3.75Å; F899-K979 HydrophobicContact CE1-CD 4.08Å; F899-K979 HydrophobicContact CE1-CG 3.62Å; F899-K979 HydrophobicContact CE2-CG 4.13Å; F899-K979 HydrophobicContact CZ-CB 3.79Å; F899-K979 HydrophobicContact CZ-CG 3.62Å; F899-F982 AromaticContact CE2-CD1 3.81Å; F899-F982 HydrophobicContact CE2-CD1 3.81Å; F899-F982 HydrophobicContact CE2-CE1 4.21Å; F899-F982 AromaticContact CZ-CD1 3.67Å; F899-F982 HydrophobicContact CZ-CD1 3.67Å; F899-F982 HydrophobicContact CZ-CE1 4.37Å; F899-L983 HydrophobicContact CE1-CD1 3.81Å; F899-L983 HydrophobicContact CE1-CD2 4.06Å; F899-L983 HydrophobicContact CE1-CG 3.83Å; F899-L983 HydrophobicContact CZ-CD2 4.36Å; F899-L983 HydrophobicContact CZ-CG 4.12Å |
| 900 | L | 94.8 | Very high | 95 | Very high | 14 Ų | 14 | 47.9 Ų | 47.9 | 7% | 0.073 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -64.6 | 157.8 | 174.9 | -62.6 | 173.1 | 0 | 0 | 0 | 110.7 | D874 L877 K878 I881 Q898 E902 D904 | D874-L900 HydrophobicContact CB-CD2 4.17Å; L877-L900 HydrophobicContact CB-CD2 3.66Å; L877-L900 HydrophobicContact CD1-CD2 4.08Å; K878-L900 HydrophobicContact CG-CD2 4.26Å; I881-L900 HydrophobicContact CD1-CD1 4.07Å; I881-L900 HydrophobicContact CD1-CG 4.41Å; Q898-L900 VanDerWaalsContact C-N 3.34Å; L900-E902 VanDerWaalsContact C-N 3.26Å; L900-E902 WeakPolarHBondContact CB-O 3.44Å; L900-E902 PolarHBondContact O-N 2.83Å; L900-D904 HydrophobicContact CD1-CB 3.83Å |
| 901 | R | 90 | Very high | 95 | Very high | 212 Ų | 212 | 47.9 Ų | 47.9 | 80% | 0.8 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -58.4 | -42.1 | 174.4 | -67.5 | -179.6 | 179.6 | -179.9 | 1.2 | 112 | ||
| 902 | E | 91.9 | Very high | 94.9 | Very high | 170 Ų | 170 | 48 Ų | 48 | 79% | 0.794 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -115.2 | 129.7 | 170.7 | -66.2 | -180 | 179.8 | 0 | 0 | 108.3 | L900 D904 | L900-E902 VanDerWaalsContact C-N 3.26Å; L900-E902 WeakPolarHBondContact CB-O 3.44Å; L900-E902 PolarHBondContact O-N 2.83Å; E902-D904 PolarHBondContact O-N 3.28Å |
| 903 | V | 93.6 | Very high | 94.8 | Very high | 37 Ų | 37 | 53.8 Ų | 53.8 | 22% | 0.224 | 25% | 0.247 | C | C | . | . | trans | -68 | 121.9 | -177.3 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | Y905 I933 | V903-Y905 HydrophobicContact CB-CD2 4.47Å; V903-Y905 HydrophobicContact CB-CE1 4.17Å; V903-Y905 HydrophobicContact CB-CE2 3.97Å; V903-Y905 HydrophobicContact CG1-CD1 3.96Å; V903-Y905 HydrophobicContact CG1-CE1 3.65Å; V903-Y905 HydrophobicContact CG1-CE2 4.27Å; V903-Y905 HydrophobicContact CG1-CG 4.38Å; V903-Y905 WeakPolarHBondContact O-CD2 3.31Å; V903-Y905 PolarHBondContact O-N 2.97Å; V903-Y905 VanDerWaalsContact O-N 3.08Å; V903-I933 HydrophobicContact CG1-CD1 4.15Å | ||
| 904 | D | 94.2 | Very high | 94.4 | Very high | 50 Ų | 50 | 57.7 Ų | 57.7 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | trans | -83.5 | 81.8 | 176.4 | -175.4 | -5.1 | 0 | 0 | 0 | 111 | L900 E902 M906 T907 A908 | L900-D904 HydrophobicContact CD1-CB 3.83Å; E902-D904 PolarHBondContact O-N 3.28Å; D904-M906 VanDerWaalsContact C-N 3.29Å; D904-M906 PolarHBondContact O-N 3.13Å; D904-M906 PolarHBondContact OD1-N 3.37Å; D904-T907 VanDerWaalsContact CG-OG1 3.29Å; D904-T907 PolarHBondContact OD1-N 3.07Å; D904-T907 VanDerWaalsContact OD1-N 3.09Å; D904-T907 PolarHBondContact OD1-OG1 3.13Å; D904-T907 WeakPolarHBondContact OD2-CB 3.28Å; D904-T907 PolarHBondContact OD2-OG1 3.03Å; D904-A908 WeakPolarHBondContact O-CB 3.28Å; D904-A908 PolarHBondContact O-N 3.22Å; D904-A908 VanDerWaalsContact O-N 3.15Å | ||
| 905 | Y | 95.8 | Very high | 93.9 | Very high | 79 Ų | 79 | 64.9 Ų | 64.9 | 31% | 0.31 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.4 | -33.8 | 178.8 | -64.2 | -69.3 | 0 | 0 | 0 | 113.3 | V903 T907 A908 F909 D930 T932 I933 | V903-Y905 HydrophobicContact CB-CD2 4.47Å; V903-Y905 HydrophobicContact CB-CE1 4.17Å; V903-Y905 HydrophobicContact CB-CE2 3.97Å; V903-Y905 HydrophobicContact CG1-CD1 3.96Å; V903-Y905 HydrophobicContact CG1-CE1 3.65Å; V903-Y905 HydrophobicContact CG1-CE2 4.27Å; V903-Y905 HydrophobicContact CG1-CG 4.38Å; V903-Y905 WeakPolarHBondContact O-CD2 3.31Å; V903-Y905 PolarHBondContact O-N 2.97Å; V903-Y905 VanDerWaalsContact O-N 3.08Å; Y905-T907 PolarHBondContact O-N 3.36Å; Y905-A908 PolarHBondContact O-N 3.25Å; Y905-F909 HydrophobicContact CD1-CE1 4.2Å; Y905-F909 AromaticContact CD1-CZ 3.9Å; Y905-F909 HydrophobicContact CD1-CZ 3.9Å; Y905-F909 HydrophobicContact CG-CZ 4.3Å; Y905-F909 VanDerWaalsContact O-CB 3.31Å; Y905-F909 WeakPolarHBondContact O-CB 3.38Å; Y905-F909 WeakPolarHBondContact O-CD2 3.29Å; Y905-F909 WeakPolarHBondContact O-CG 3.3Å; Y905-F909 PolarHBondContact O-N 2.98Å; Y905-D930 WeakPolarHBondContact CE1-OD1 3.48Å; Y905-D930 PolarHBondContact OH-OD2 3.41Å; Y905-T932 HydrophobicContact CD1-CG2 4.42Å; Y905-T932 HydrophobicContact CE1-CG2 4.14Å; Y905-I933 HydrophobicContact CD1-CG1 4.13Å; Y905-I933 HydrophobicContact CE1-CG1 4.11Å |
| 906 | M | 95.3 | Very high | 93.5 | Very high | 157 Ų | 157 | 68.5 Ų | 68.5 | 77% | 0.773 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.7 | -46.7 | -177.2 | -176.7 | 179.4 | 172.6 | 0 | 0 | 110.7 | D904 K910 | D904-M906 VanDerWaalsContact C-N 3.29Å; D904-M906 PolarHBondContact O-N 3.13Å; D904-M906 PolarHBondContact OD1-N 3.37Å; M906-K910 WeakPolarHBondContact O-CB 3.44Å; M906-K910 PolarHBondContact O-N 3.34Å; M906-K910 VanDerWaalsContact O-N 3.15Å |
| 907 | T | 94.9 | Very high | 93.1 | Very high | 51 Ų | 51 | 69.5 Ų | 69.5 | 31% | 0.313 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.8 | -42.7 | 176.4 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | I881 V893 D904 Y905 K910 A911 | I881-T907 HydrophobicContact CG2-CG2 3.91Å; V893-T907 HydrophobicContact CG1-CG2 4.11Å; D904-T907 VanDerWaalsContact CG-OG1 3.29Å; D904-T907 PolarHBondContact OD1-N 3.07Å; D904-T907 VanDerWaalsContact OD1-N 3.09Å; D904-T907 PolarHBondContact OD1-OG1 3.13Å; D904-T907 WeakPolarHBondContact OD2-CB 3.28Å; D904-T907 PolarHBondContact OD2-OG1 3.03Å; Y905-T907 PolarHBondContact O-N 3.36Å; T907-K910 PolarHBondContact O-N 3.08Å; T907-A911 WeakPolarHBondContact O-CB 3.2Å; T907-A911 PolarHBondContact O-N 3.29Å |
| 908 | A | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A894 C897 D904 Y905 A911 L912 I933 | A894-A908 HydrophobicContact CB-CB 4.31Å; C897-A908 HydrophobicContact CB-CB 3.98Å; D904-A908 WeakPolarHBondContact O-CB 3.28Å; D904-A908 PolarHBondContact O-N 3.22Å; D904-A908 VanDerWaalsContact O-N 3.15Å; Y905-A908 PolarHBondContact O-N 3.25Å; A908-A911 PolarHBondContact O-N 3.49Å; A908-L912 VanDerWaalsContact O-CG 3.3Å; A908-L912 WeakPolarHBondContact O-CG 3.48Å; A908-L912 PolarHBondContact O-N 3.11Å; A908-I933 HydrophobicContact CB-CD1 4.39Å |
| 909 | F | 96.3 | Very high | 92.2 | Very high | 51 Ų | 51 | 76.2 Ų | 76.2 | 22% | 0.224 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.6 | -41.1 | -179.5 | -65.4 | -13.3 | 0 | 0 | 0 | 112.1 | Y905 A911 L912 Q913 T932 I933 Y936 | Y905-F909 HydrophobicContact CD1-CE1 4.2Å; Y905-F909 AromaticContact CD1-CZ 3.9Å; Y905-F909 HydrophobicContact CD1-CZ 3.9Å; Y905-F909 HydrophobicContact CG-CZ 4.3Å; Y905-F909 VanDerWaalsContact O-CB 3.31Å; Y905-F909 WeakPolarHBondContact O-CB 3.38Å; Y905-F909 WeakPolarHBondContact O-CD2 3.29Å; Y905-F909 WeakPolarHBondContact O-CG 3.3Å; Y905-F909 PolarHBondContact O-N 2.98Å; F909-A911 PolarHBondContact O-N 2.86Å; F909-L912 PolarHBondContact O-N 3.07Å; F909-Q913 WeakPolarHBondContact O-CB 3.39Å; F909-Q913 PolarHBondContact O-N 2.96Å; F909-T932 HydrophobicContact CZ-CG2 4.15Å; F909-I933 HydrophobicContact CE1-CG1 4.47Å; F909-Y936 VanDerWaalsContact CA-CE1 3.5Å; F909-Y936 HydrophobicContact CB-CD1 4.12Å; F909-Y936 HydrophobicContact CB-CE1 3.58Å; F909-Y936 HydrophobicContact CB-CE2 4.15Å; F909-Y936 AromaticContact CD1-CD1 3.31Å; F909-Y936 HydrophobicContact CD1-CD1 3.31Å; F909-Y936 AromaticContact CD1-CD2 4Å; F909-Y936 HydrophobicContact CD1-CD2 4Å; F909-Y936 AromaticContact CD1-CE1 3.74Å; F909-Y936 HydrophobicContact CD1-CE1 3.74Å; F909-Y936 HydrophobicContact CD1-CE2 4.37Å; F909-Y936 AromaticContact CD1-CG 3.44Å; F909-Y936 HydrophobicContact CD1-CG 3.44Å; F909-Y936 VanDerWaalsContact CD1-CG 3.44Å; F909-Y936 HydrophobicContact CD2-CD2 4.25Å; F909-Y936 HydrophobicContact CD2-CE2 4.29Å; F909-Y936 AromaticContact CE1-CD1 3.92Å; F909-Y936 HydrophobicContact CE1-CD1 3.92Å; F909-Y936 HydrophobicContact CE1-CD2 4.19Å; F909-Y936 AromaticContact CE1-CG 3.62Å; F909-Y936 HydrophobicContact CE1-CG 3.62Å; F909-Y936 HydrophobicContact CE2-CD2 4.44Å; F909-Y936 AromaticContact CG-CD1 3.85Å; F909-Y936 HydrophobicContact CG-CD1 3.85Å; F909-Y936 HydrophobicContact CG-CD2 4.03Å; F909-Y936 AromaticContact CG-CE1 3.81Å; F909-Y936 HydrophobicContact CG-CE1 3.81Å; F909-Y936 HydrophobicContact CG-CE2 4.02Å; F909-Y936 AromaticContact CG-CG 3.94Å; F909-Y936 HydrophobicContact CG-CG 3.94Å; F909-Y936 AromaticContact CG-CZ 3.9Å; F909-Y936 HydrophobicContact CZ-CD2 4.41Å; F909-Y936 HydrophobicContact CZ-CG 4.23Å; F909-Y936 PolarHBondContact O-OH 3.48Å |
| 910 | K | 95.3 | Very high | 91.6 | Very high | 143 Ų | 143 | 78 Ų | 78 | 62% | 0.622 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.6 | -44.5 | 175.4 | -172.6 | 178.9 | 179.4 | -177.7 | 0 | 111.7 | M906 T907 Q913 | M906-K910 WeakPolarHBondContact O-CB 3.44Å; M906-K910 PolarHBondContact O-N 3.34Å; M906-K910 VanDerWaalsContact O-N 3.15Å; T907-K910 PolarHBondContact O-N 3.08Å; K910-Q913 PolarHBondContact O-N 3.05Å |
| 911 | A | 93.5 | Very high | 91.2 | Very high | 8 Ų | 8 | 78.2 Ų | 78.2 | 7% | 0.066 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | H890 V893 T907 A908 F909 Q913 E914 | H890-A911 HydrophobicContact CB-CB 4.11Å; H890-A911 WeakPolarHBondContact CB-O 3.4Å; V893-A911 HydrophobicContact CB-CB 4.02Å; V893-A911 HydrophobicContact CG1-CB 3.61Å; T907-A911 WeakPolarHBondContact O-CB 3.2Å; T907-A911 PolarHBondContact O-N 3.29Å; A908-A911 PolarHBondContact O-N 3.49Å; F909-A911 PolarHBondContact O-N 2.86Å; A911-Q913 PolarHBondContact O-N 3.29Å; A911-E914 WeakPolarHBondContact O-CB 3.35Å; A911-E914 PolarHBondContact O-N 3.14Å; A911-E914 VanDerWaalsContact O-N 3.08Å |
| 912 | L | 92.9 | Very high | 90.9 | Very high | 3 Ų | 3 | 71.3 Ų | 71.3 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.3 | -20.6 | 179.8 | -67.4 | 174.8 | 0 | 0 | 0 | 113.7 | A894 A908 F909 E914 I933 Y936 L937 I940 R944 | A894-L912 HydrophobicContact CB-CD1 3.79Å; A894-L912 HydrophobicContact CB-CD2 3.76Å; A894-L912 HydrophobicContact CB-CG 3.74Å; A908-L912 VanDerWaalsContact O-CG 3.3Å; A908-L912 WeakPolarHBondContact O-CG 3.48Å; A908-L912 PolarHBondContact O-N 3.11Å; F909-L912 PolarHBondContact O-N 3.07Å; L912-E914 VanDerWaalsContact C-N 3.27Å; L912-I933 HydrophobicContact CD1-CG2 3.94Å; L912-Y936 HydrophobicContact CB-CD1 4.43Å; L912-Y936 HydrophobicContact CB-CE1 4.18Å; L912-Y936 HydrophobicContact CD1-CD1 4.24Å; L912-L937 HydrophobicContact CB-CD2 4.43Å; L912-L937 HydrophobicContact CD1-CD1 4.45Å; L912-L937 HydrophobicContact CD1-CD2 3.74Å; L912-L937 HydrophobicContact CD1-CG 3.84Å; L912-L937 HydrophobicContact CD2-CD2 3.73Å; L912-L937 HydrophobicContact CG-CD2 4.16Å; L912-I940 HydrophobicContact CB-CD1 4.44Å; L912-R944 PolarHBondContact O-NH2 2.83Å |
| 913 | Q | 92.8 | Very high | 90.8 | Very high | 124 Ų | 124 | 66.7 Ų | 66.7 | 58% | 0.579 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -71.2 | -21.8 | 173.4 | -171.8 | 174.4 | -6.8 | 0 | 0 | 113 | F909 K910 A911 I940 R944 | F909-Q913 WeakPolarHBondContact O-CB 3.39Å; F909-Q913 PolarHBondContact O-N 2.96Å; K910-Q913 PolarHBondContact O-N 3.05Å; A911-Q913 PolarHBondContact O-N 3.29Å; Q913-I940 HydrophobicContact CB-CD1 4.44Å; Q913-R944 VanDerWaalsContact CA-NH2 3.33Å; Q913-R944 PolarHBondContact O-NH2 3.29Å |
| 914 | E | 90.5 | Very high | 90.8 | Very high | 83 Ų | 83 | 66 Ų | 66 | 39% | 0.388 | 34% | 0.337 | S | S | . | . | trans | -69.1 | 149.3 | 175.9 | -60.7 | -62.2 | 160.3 | 0 | 0 | 111.5 | H890 A911 L912 | H890-E914 VanDerWaalsContact CD2-CB 3.46Å; H890-E914 WeakPolarHBondContact CD2-CB 3.36Å; H890-E914 WeakPolarHBondContact NE2-CB 3.46Å; A911-E914 WeakPolarHBondContact O-CB 3.35Å; A911-E914 PolarHBondContact O-N 3.14Å; A911-E914 VanDerWaalsContact O-N 3.08Å; L912-E914 VanDerWaalsContact C-N 3.27Å | ||
| 915 | Q | 84.4 | Confident | 90.7 | Very high | 151 Ų | 151 | 63.7 Ų | 63.7 | 71% | 0.706 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -106.8 | -12.4 | -179.5 | -69.9 | -173.8 | -18.6 | 0 | 0 | 113.4 | S917 | Q915-S917 VanDerWaalsContact C-N 3.33Å; Q915-S917 PolarHBondContact O-N 2.82Å |
| 916 | N | 87.1 | Confident | 90.6 | Very high | 76 Ų | 76 | 64.6 Ų | 64.6 | 41% | 0.406 | 33% | 0.334 | S | S | . | . | trans | -94.1 | 38.3 | -175.3 | 65.3 | -16.9 | 0 | 0 | 0 | 113.2 | H890 | H890-N916 PolarHBondContact NE2-OD1 3.02Š| ||
| 917 | S | 88.6 | Confident | 90.6 | Very high | 22 Ų | 22 | 59.4 Ų | 59.4 | 15% | 0.154 | 31% | 0.306 | C | S | . | . | trans | -72.8 | 134.9 | -178.2 | -50.9 | 0 | 0 | 0 | 0 | 112.7 | N888 H890 Q915 | N888-S917 CarbonylContact O-C 3.55Å; N888-S917 WeakPolarHBondContact O-CA 3.25Å; H890-S917 PolarHBondContact CD2-OG 3.33Å; Q915-S917 VanDerWaalsContact C-N 3.33Å; Q915-S917 PolarHBondContact O-N 2.82Å | ||
| 918 | H | 88.6 | Confident | 90.6 | Very high | 139 Ų | 139 | 57 Ų | 57 | 64% | 0.644 | 29% | 0.292 | S | S | * | . | trans | -113.9 | 33.3 | 178.6 | -63.4 | -41.6 | 0 | 0 | 0 | 113.4 | N888 | N888-H918 PolarHBondContact O-N 3.22Š| ||
| 919 | D | 85.7 | Confident | 90.7 | Very high | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.032 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -131.7 | 26 | -172.6 | 65.9 | -5.3 | 0 | 0 | 0 | 115 | C889 H890 T891 Q892 M921 F924 | C889-D919 WeakPolarHBondContact CA-OD2 3.21Å; C889-D919 HydrophobicContact CB-CB 3.94Å; H890-D919 PolarHBondContact N-OD2 2.93Å; T891-D919 VanDerWaalsContact CA-OD2 3.24Å; T891-D919 WeakPolarHBondContact CA-OD2 3.36Å; T891-D919 WeakPolarHBondContact CB-OD1 3.4Å; T891-D919 WeakPolarHBondContact CB-OD2 3.27Å; T891-D919 PolarHBondContact N-OD2 2.85Å; T891-D919 PolarHBondContact OG1-OD1 3.37Å; T891-D919 PolarHBondContact OG1-OD2 3.41Å; Q892-D919 HydrophobicContact CG-CB 4.05Å; Q892-D919 PolarHBondContact N-OD2 3.46Å; D919-M921 PolarHBondContact O-N 3.11Å; D919-F924 WeakPolarHBondContact O-CD2 3.35Å; D919-F924 WeakPolarHBondContact O-CE2 3.49Å |
| 920 | A | 82.4 | Confident | 90.6 | Very high | 61 Ų | 61 | 57.7 Ų | 57.7 | 50% | 0.504 | 30% | 0.295 | S | S | . | . | trans | 53.9 | 49.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D922 S923 | A920-D922 PolarHBondContact O-N 3.07Å; A920-D922 VanDerWaalsContact O-N 3.09Å; A920-S923 VanDerWaalsContact O-CB 3.25Å; A920-S923 WeakPolarHBondContact O-CB 3.46Å; A920-S923 PolarHBondContact O-N 2.89Å | ||
| 921 | M | 85.8 | Confident | 90.6 | Very high | 20 Ų | 20 | 53.4 Ų | 53.4 | 10% | 0.099 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -21 | -66.7 | -176.7 | -55.5 | 175.9 | 77.3 | 0 | 0 | 116.8 | T891 D919 S923 F924 Y925 | T891-M921 WeakPolarHBondContact OG1-CA 3.38Å; D919-M921 PolarHBondContact O-N 3.11Å; M921-S923 PolarHBondContact O-N 2.94Å; M921-F924 PolarHBondContact O-N 3.07Å; M921-Y925 WeakPolarHBondContact O-CD1 3.38Å; M921-Y925 VanDerWaalsContact O-CE1 3.29Å; M921-Y925 WeakPolarHBondContact O-CE1 3.44Å |
| 922 | D | 85.3 | Confident | 90.7 | Very high | 67 Ų | 67 | 55.9 Ų | 55.9 | 36% | 0.358 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -66.4 | -22.8 | -173.1 | 56.1 | -49.2 | 0 | 0 | 0 | 113.7 | A920 F924 Y925 K949 I952 | A920-D922 PolarHBondContact O-N 3.07Å; A920-D922 VanDerWaalsContact O-N 3.09Å; D922-F924 PolarHBondContact O-N 3.46Å; D922-Y925 HydrophobicContact CB-CD2 4.41Å; D922-Y925 HydrophobicContact CB-CE2 3.98Å; D922-K949 HydrophobicContact CB-CG 4.26Å; D922-I952 HydrophobicContact CB-CD1 4.24Å |
| 923 | S | 89.8 | Confident | 90.8 | Very high | 72 Ų | 72 | 55.7 Ų | 55.7 | 50% | 0.503 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -72.8 | -16.6 | 173.6 | -58.3 | 0 | 0 | 0 | 0 | 113.1 | A920 M921 | A920-S923 VanDerWaalsContact O-CB 3.25Å; A920-S923 WeakPolarHBondContact O-CB 3.46Å; A920-S923 PolarHBondContact O-N 2.89Å; M921-S923 PolarHBondContact O-N 2.94Å |
| 924 | F | 92.3 | Very high | 90.9 | Very high | 24 Ų | 24 | 49.8 Ų | 49.8 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -99.2 | -4.7 | -177.3 | -79.1 | -95.7 | 0 | 0 | 0 | 114.3 | T891 Q892 D919 M921 D922 D926 Y927 F982 | T891-F924 HydrophobicContact CG2-CB 3.65Å; Q892-F924 HydrophobicContact CG-CE1 4.27Å; Q892-F924 HydrophobicContact CG-CZ 4.47Å; D919-F924 WeakPolarHBondContact O-CD2 3.35Å; D919-F924 WeakPolarHBondContact O-CE2 3.49Å; M921-F924 PolarHBondContact O-N 3.07Å; D922-F924 PolarHBondContact O-N 3.46Å; F924-D926 VanDerWaalsContact C-N 3.25Å; F924-D926 PolarHBondContact O-N 2.86Å; F924-Y927 HydrophobicContact CB-CD2 4.05Å; F924-Y927 AromaticContact CD1-CD2 3.41Å; F924-Y927 HydrophobicContact CD1-CD2 3.41Å; F924-Y927 VanDerWaalsContact CD1-CD2 3.41Å; F924-Y927 AromaticContact CD1-CE2 3.59Å; F924-Y927 HydrophobicContact CD1-CE2 3.59Å; F924-Y927 HydrophobicContact CE1-CD2 4.14Å; F924-Y927 AromaticContact CE1-CE2 3.95Å; F924-Y927 HydrophobicContact CE1-CE2 3.95Å; F924-Y927 AromaticContact CG-CD2 3.99Å; F924-Y927 HydrophobicContact CG-CD2 3.99Å; F924-Y927 HydrophobicContact CG-CE2 4.13Å; F924-Y927 WeakPolarHBondContact O-CB 3.39Å; F924-Y927 PolarHBondContact O-N 2.95Å; F924-F982 AromaticContact CD1-CD2 3.82Å; F924-F982 HydrophobicContact CD1-CD2 3.82Å; F924-F982 AromaticContact CD1-CE2 3.62Å; F924-F982 HydrophobicContact CD1-CE2 3.62Å; F924-F982 AromaticContact CE1-CD2 3.91Å; F924-F982 HydrophobicContact CE1-CD2 3.91Å; F924-F982 AromaticContact CE1-CE2 3.67Å; F924-F982 HydrophobicContact CE1-CE2 3.67Å |
| 925 | Y | 93.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -64.1 | -29.4 | -179.3 | -61.7 | -16.9 | 0 | 0 | 0 | 113.1 | T891 M921 D922 Y927 I928 L937 H941 I952 | T891-Y925 HydrophobicContact CG2-CD1 4.47Å; T891-Y925 HydrophobicContact CG2-CE1 4.25Å; M921-Y925 WeakPolarHBondContact O-CD1 3.38Å; M921-Y925 VanDerWaalsContact O-CE1 3.29Å; M921-Y925 WeakPolarHBondContact O-CE1 3.44Å; D922-Y925 HydrophobicContact CB-CD2 4.41Å; D922-Y925 HydrophobicContact CB-CE2 3.98Å; Y925-Y927 PolarHBondContact O-N 3.45Å; Y925-Y927 VanDerWaalsContact O-N 3.14Å; Y925-I928 HydrophobicContact CD1-CD1 4.13Å; Y925-I928 PolarHBondContact O-N 3.46Å; Y925-I928 VanDerWaalsContact O-N 3.07Å; Y925-L937 HydrophobicContact CD1-CD1 3.75Å; Y925-L937 HydrophobicContact CE1-CD1 3.75Å; Y925-L937 HydrophobicContact CE1-CD2 3.96Å; Y925-L937 HydrophobicContact CE1-CG 4.49Å; Y925-L937 HydrophobicContact CG-CD1 4.46Å; Y925-H941 AromaticContact CE2-NE2 3.84Å; Y925-H941 AromaticContact CZ-NE2 3.51Å; Y925-H941 PolarHBondContact OH-CE1 3.35Å; Y925-H941 PolarHBondContact OH-NE2 3.04Å; Y925-I952 HydrophobicContact CD2-CB 4.43Å; Y925-I952 HydrophobicContact CD2-CG2 3.92Å |
| 926 | D | 92.6 | Very high | 91.6 | Very high | 97 Ų | 97 | 47.1 Ų | 47.1 | 52% | 0.519 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -65.1 | -14.7 | 175.3 | -76.7 | -19.9 | 0 | 0 | 0 | 113.6 | F924 R978 | F924-D926 VanDerWaalsContact C-N 3.25Å; F924-D926 PolarHBondContact O-N 2.86Å; D926-R978 WeakPolarHBondContact O-CG 3.29Å; D926-R978 PolarHBondContact O-NE 3.34Å |
| 927 | Y | 95.6 | Very high | 91.9 | Very high | 49 Ų | 49 | 43.5 Ų | 43.5 | 19% | 0.192 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -93.3 | -4.1 | 176.2 | -53.2 | -55.7 | 0 | 0 | 0 | 113.6 | F924 Y925 W929 R981 F982 | F924-Y927 HydrophobicContact CB-CD2 4.05Å; F924-Y927 AromaticContact CD1-CD2 3.41Å; F924-Y927 HydrophobicContact CD1-CD2 3.41Å; F924-Y927 VanDerWaalsContact CD1-CD2 3.41Å; F924-Y927 AromaticContact CD1-CE2 3.59Å; F924-Y927 HydrophobicContact CD1-CE2 3.59Å; F924-Y927 HydrophobicContact CE1-CD2 4.14Å; F924-Y927 AromaticContact CE1-CE2 3.95Å; F924-Y927 HydrophobicContact CE1-CE2 3.95Å; F924-Y927 AromaticContact CG-CD2 3.99Å; F924-Y927 HydrophobicContact CG-CD2 3.99Å; F924-Y927 HydrophobicContact CG-CE2 4.13Å; F924-Y927 WeakPolarHBondContact O-CB 3.39Å; F924-Y927 PolarHBondContact O-N 2.95Å; Y925-Y927 PolarHBondContact O-N 3.45Å; Y925-Y927 VanDerWaalsContact O-N 3.14Å; Y927-W929 WeakPolarHBondContact O-CZ3 3.4Å; Y927-R981 HydrophobicContact CD1-CB 4.13Å; Y927-R981 HydrophobicContact CE1-CB 3.72Å; Y927-F982 HydrophobicContact CD1-CB 4.03Å; Y927-F982 AromaticContact CD2-CD2 3.88Å; Y927-F982 HydrophobicContact CD2-CD2 3.88Å; Y927-F982 HydrophobicContact CG-CB 3.96Å; Y927-F982 HydrophobicContact CG-CD2 4.04Å; Y927-F982 HydrophobicContact CG-CG 4.46Å |
| 928 | I | 95.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | trans | -89.8 | 124.6 | 176.4 | -55.4 | 173.1 | 0 | 0 | 0 | 107.9 | V895 Y925 I933 L934 L937 | V895-I928 HydrophobicContact CG2-CG1 3.9Å; Y925-I928 HydrophobicContact CD1-CD1 4.13Å; Y925-I928 PolarHBondContact O-N 3.46Å; Y925-I928 VanDerWaalsContact O-N 3.07Å; I928-I933 HydrophobicContact CD1-CG2 4.09Å; I928-I933 HydrophobicContact CG2-CB 3.91Å; I928-I933 HydrophobicContact CG2-CG2 3.9Å; I928-L934 HydrophobicContact CB-CD2 3.9Å; I928-L934 HydrophobicContact CB-CG 4.16Å; I928-L934 HydrophobicContact CD1-CD2 4.24Å; I928-L934 HydrophobicContact CG2-CD1 4.43Å; I928-L934 HydrophobicContact CG2-CD2 3.95Å; I928-L934 HydrophobicContact CG2-CG 3.72Å; I928-L937 HydrophobicContact CD1-CD1 3.46Å; I928-L937 VanDerWaalsContact CD1-CD1 3.46Å | ||
| 929 | W | 95.6 | Very high | 92.5 | Very high | 41 Ų | 41 | 42.3 Ų | 42.3 | 16% | 0.155 | 23% | 0.226 | C | C | . | . | trans | -110.9 | -14.5 | 174.6 | 62 | 87.3 | 0 | 0 | 0 | 112.5 | Q898 F899 Y927 V931 L962 A975 R978 K979 | Q898-W929 HydrophobicContact CB-CD2 4.47Å; Q898-W929 HydrophobicContact CB-CH2 3.51Å; Q898-W929 HydrophobicContact CB-CZ2 3.22Å; Q898-W929 HydrophobicContact CB-CZ3 4.26Å; Q898-W929 HydrophobicContact CG-CH2 4.49Å; Q898-W929 HydrophobicContact CG-CZ2 4.29Å; Q898-W929 WeakPolarHBondContact O-CZ2 3.48Å; F899-W929 AromaticContact CD2-CH2 3.8Å; F899-W929 HydrophobicContact CD2-CH2 3.8Å; F899-W929 AromaticContact CE2-CH2 3.67Å; F899-W929 HydrophobicContact CE2-CH2 3.67Å; F899-W929 HydrophobicContact CE2-CZ3 4.07Å; F899-W929 HydrophobicContact CZ-CH2 4.35Å; Y927-W929 WeakPolarHBondContact O-CZ3 3.4Å; W929-V931 PolarHBondContact O-N 3.46Å; W929-L962 HydrophobicContact CB-CD2 3.69Å; W929-A975 HydrophobicContact CD2-CB 3.93Å; W929-A975 HydrophobicContact CG-CB 3.85Å; W929-R978 HydrophobicContact CE3-CB 3.84Å; W929-R978 HydrophobicContact CZ3-CB 4.32Å; W929-K979 HydrophobicContact CH2-CD 4.07Å; W929-K979 VanDerWaalsContact CH2-CE 3.43Å; W929-K979 HydrophobicContact CH2-CG 3.4Å; W929-K979 HydrophobicContact CZ2-CD 4.28Å; W929-K979 HydrophobicContact CZ2-CG 4.04Å; W929-K979 HydrophobicContact CZ3-CG 3.77Å | ||
| 930 | D | 95.5 | Very high | 92.8 | Very high | 24 Ų | 24 | 42.6 Ų | 42.6 | 13% | 0.128 | 23% | 0.227 | C | C | . | . | trans | -77.9 | 119 | 174.7 | -168.4 | -84.7 | 0 | 0 | 0 | 111.3 | Q898 Y905 T932 I933 L934 | Q898-D930 HydrophobicContact CG-CB 4.14Å; Y905-D930 WeakPolarHBondContact CE1-OD1 3.48Å; Y905-D930 PolarHBondContact OH-OD2 3.41Å; D930-T932 VanDerWaalsContact C-N 3.29Å; D930-T932 PolarHBondContact O-N 2.89Å; D930-T932 WeakPolarHBondContact OD1-CA 3.39Å; D930-T932 WeakPolarHBondContact OD1-CB 3.38Å; D930-T932 PolarHBondContact OD1-N 3.12Å; D930-T932 PolarHBondContact OD1-OG1 3.23Å; D930-T932 VanDerWaalsContact OD1-OG1 3.08Å; D930-I933 HydrophobicContact CB-CB 4.38Å; D930-I933 HydrophobicContact CB-CD1 4.04Å; D930-I933 HydrophobicContact CB-CG1 4.09Å; D930-I933 PolarHBondContact O-N 3.17Å; D930-I933 PolarHBondContact OD1-N 3.31Å; D930-I933 VanDerWaalsContact OD1-N 3.09Å; D930-L934 PolarHBondContact O-N 3.4Å | ||
| 931 | V | 94.1 | Very high | 93.4 | Very high | 52 Ų | 52 | 39.7 Ų | 39.7 | 32% | 0.315 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.2 | -33.5 | -177.2 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | W929 I933 L934 E935 | W929-V931 PolarHBondContact O-N 3.46Å; V931-I933 PolarHBondContact O-N 3.48Å; V931-L934 PolarHBondContact O-N 3.47Å; V931-E935 WeakPolarHBondContact O-CB 3.21Å; V931-E935 PolarHBondContact O-N 3.43Å |
| 932 | T | 95.3 | Very high | 93.8 | Very high | 60 Ų | 60 | 44.4 Ų | 44.4 | 37% | 0.368 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.3 | -41.8 | 179.8 | -34.7 | 0 | 0 | 0 | 0 | 111.1 | Y905 F909 D930 E935 Y936 | Y905-T932 HydrophobicContact CD1-CG2 4.42Å; Y905-T932 HydrophobicContact CE1-CG2 4.14Å; F909-T932 HydrophobicContact CZ-CG2 4.15Å; D930-T932 VanDerWaalsContact C-N 3.29Å; D930-T932 PolarHBondContact O-N 2.89Å; D930-T932 WeakPolarHBondContact OD1-CA 3.39Å; D930-T932 WeakPolarHBondContact OD1-CB 3.38Å; D930-T932 PolarHBondContact OD1-N 3.12Å; D930-T932 PolarHBondContact OD1-OG1 3.23Å; D930-T932 VanDerWaalsContact OD1-OG1 3.08Å; T932-E935 PolarHBondContact O-N 3.28Å; T932-Y936 WeakPolarHBondContact O-CB 3.26Å; T932-Y936 PolarHBondContact O-N 3.46Å |
| 933 | I | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.2 | -42.1 | 176.1 | -61.5 | 179.7 | 0 | 0 | 0 | 110.8 | Q898 V903 Y905 A908 F909 L912 I928 D930 V931 Y936 L937 | Q898-I933 HydrophobicContact CG-CD1 3.56Å; V903-I933 HydrophobicContact CG1-CD1 4.15Å; Y905-I933 HydrophobicContact CD1-CG1 4.13Å; Y905-I933 HydrophobicContact CE1-CG1 4.11Å; A908-I933 HydrophobicContact CB-CD1 4.39Å; F909-I933 HydrophobicContact CE1-CG1 4.47Å; L912-I933 HydrophobicContact CD1-CG2 3.94Å; I928-I933 HydrophobicContact CD1-CG2 4.09Å; I928-I933 HydrophobicContact CG2-CB 3.91Å; I928-I933 HydrophobicContact CG2-CG2 3.9Å; D930-I933 HydrophobicContact CB-CB 4.38Å; D930-I933 HydrophobicContact CB-CD1 4.04Å; D930-I933 HydrophobicContact CB-CG1 4.09Å; D930-I933 PolarHBondContact O-N 3.17Å; D930-I933 PolarHBondContact OD1-N 3.31Å; D930-I933 VanDerWaalsContact OD1-N 3.09Å; V931-I933 PolarHBondContact O-N 3.48Å; I933-Y936 PolarHBondContact O-N 2.94Å; I933-L937 HydrophobicContact CG2-CD1 4.42Å; I933-L937 WeakPolarHBondContact O-CG 3.39Å; I933-L937 PolarHBondContact O-N 3.2Å |
| 934 | L | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.2 | -37.3 | 177.6 | -70.1 | 173 | 0 | 0 | 0 | 112.9 | I928 D930 V931 L937 T938 A956 I957 L962 | I928-L934 HydrophobicContact CB-CD2 3.9Å; I928-L934 HydrophobicContact CB-CG 4.16Å; I928-L934 HydrophobicContact CD1-CD2 4.24Å; I928-L934 HydrophobicContact CG2-CD1 4.43Å; I928-L934 HydrophobicContact CG2-CD2 3.95Å; I928-L934 HydrophobicContact CG2-CG 3.72Å; D930-L934 PolarHBondContact O-N 3.4Å; V931-L934 PolarHBondContact O-N 3.47Å; L934-L937 HydrophobicContact CD2-CD1 4.3Å; L934-L937 PolarHBondContact O-N 3Å; L934-T938 WeakPolarHBondContact O-CB 3.48Å; L934-T938 PolarHBondContact O-N 2.88Å; L934-T938 PolarHBondContact O-OG1 3.19Å; L934-A956 HydrophobicContact CD1-CB 4.19Å; L934-A956 HydrophobicContact CD2-CB 4.03Å; L934-I957 HydrophobicContact CB-CD1 3.92Å; L934-I957 HydrophobicContact CB-CG1 3.46Å; L934-I957 VanDerWaalsContact CB-CG1 3.46Å; L934-I957 HydrophobicContact CD1-CG1 4.01Å; L934-I957 HydrophobicContact CG-CG1 4.33Å; L934-L962 HydrophobicContact CD1-CD1 3.97Å |
| 935 | E | 95 | Very high | 94.3 | Very high | 125 Ų | 125 | 50.1 Ų | 50.1 | 58% | 0.584 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.9 | -45.7 | 173.9 | -176 | 179.4 | -174.7 | 0 | 0 | 110.6 | V931 T932 L937 T938 H939 | V931-E935 WeakPolarHBondContact O-CB 3.21Å; V931-E935 PolarHBondContact O-N 3.43Å; T932-E935 PolarHBondContact O-N 3.28Å; E935-L937 PolarHBondContact O-N 3.03Å; E935-T938 WeakPolarHBondContact O-CB 3.25Å; E935-T938 PolarHBondContact O-N 2.97Å; E935-T938 VanDerWaalsContact O-N 3.17Å; E935-H939 PolarHBondContact O-N 3.03Å |
| 936 | Y | 95.5 | Very high | 94.2 | Very high | 52 Ų | 52 | 52.5 Ų | 52.5 | 20% | 0.204 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 176.3 | -174.5 | -103.2 | 0 | 0 | 0 | 112.5 | F909 L912 T932 I933 T938 H939 I940 | F909-Y936 VanDerWaalsContact CA-CE1 3.5Å; F909-Y936 HydrophobicContact CB-CD1 4.12Å; F909-Y936 HydrophobicContact CB-CE1 3.58Å; F909-Y936 HydrophobicContact CB-CE2 4.15Å; F909-Y936 AromaticContact CD1-CD1 3.31Å; F909-Y936 HydrophobicContact CD1-CD1 3.31Å; F909-Y936 AromaticContact CD1-CD2 4Å; F909-Y936 HydrophobicContact CD1-CD2 4Å; F909-Y936 AromaticContact CD1-CE1 3.74Å; F909-Y936 HydrophobicContact CD1-CE1 3.74Å; F909-Y936 HydrophobicContact CD1-CE2 4.37Å; F909-Y936 AromaticContact CD1-CG 3.44Å; F909-Y936 HydrophobicContact CD1-CG 3.44Å; F909-Y936 VanDerWaalsContact CD1-CG 3.44Å; F909-Y936 HydrophobicContact CD2-CD2 4.25Å; F909-Y936 HydrophobicContact CD2-CE2 4.29Å; F909-Y936 AromaticContact CE1-CD1 3.92Å; F909-Y936 HydrophobicContact CE1-CD1 3.92Å; F909-Y936 HydrophobicContact CE1-CD2 4.19Å; F909-Y936 AromaticContact CE1-CG 3.62Å; F909-Y936 HydrophobicContact CE1-CG 3.62Å; F909-Y936 HydrophobicContact CE2-CD2 4.44Å; F909-Y936 AromaticContact CG-CD1 3.85Å; F909-Y936 HydrophobicContact CG-CD1 3.85Å; F909-Y936 HydrophobicContact CG-CD2 4.03Å; F909-Y936 AromaticContact CG-CE1 3.81Å; F909-Y936 HydrophobicContact CG-CE1 3.81Å; F909-Y936 HydrophobicContact CG-CE2 4.02Å; F909-Y936 AromaticContact CG-CG 3.94Å; F909-Y936 HydrophobicContact CG-CG 3.94Å; F909-Y936 AromaticContact CG-CZ 3.9Å; F909-Y936 HydrophobicContact CZ-CD2 4.41Å; F909-Y936 HydrophobicContact CZ-CG 4.23Å; F909-Y936 PolarHBondContact O-OH 3.48Å; L912-Y936 HydrophobicContact CB-CD1 4.43Å; L912-Y936 HydrophobicContact CB-CE1 4.18Å; L912-Y936 HydrophobicContact CD1-CD1 4.24Å; T932-Y936 WeakPolarHBondContact O-CB 3.26Å; T932-Y936 PolarHBondContact O-N 3.46Å; I933-Y936 PolarHBondContact O-N 2.94Å; Y936-T938 VanDerWaalsContact C-N 3.33Å; Y936-T938 PolarHBondContact O-N 3.14Å; Y936-H939 PolarHBondContact O-N 3.38Å; Y936-I940 HydrophobicContact CD1-CD1 3.87Å; Y936-I940 HydrophobicContact CD1-CG1 4.33Å; Y936-I940 HydrophobicContact CE1-CD1 3.13Å; Y936-I940 HydrophobicContact CE1-CG1 3.9Å; Y936-I940 HydrophobicContact CE2-CD1 4.41Å; Y936-I940 HydrophobicContact CE2-CG1 4.48Å; Y936-I940 VanDerWaalsContact CZ-CD1 3.47Å; Y936-I940 PolarHBondContact O-N 3.18Å |
| 937 | L | 93.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.1 | -47 | 172.3 | -80.9 | 170.2 | 0 | 0 | 0 | 111.4 | L912 Y925 I928 I933 L934 E935 H939 I940 H941 A953 | L912-L937 HydrophobicContact CB-CD2 4.43Å; L912-L937 HydrophobicContact CD1-CD1 4.45Å; L912-L937 HydrophobicContact CD1-CD2 3.74Å; L912-L937 HydrophobicContact CD1-CG 3.84Å; L912-L937 HydrophobicContact CD2-CD2 3.73Å; L912-L937 HydrophobicContact CG-CD2 4.16Å; Y925-L937 HydrophobicContact CD1-CD1 3.75Å; Y925-L937 HydrophobicContact CE1-CD1 3.75Å; Y925-L937 HydrophobicContact CE1-CD2 3.96Å; Y925-L937 HydrophobicContact CE1-CG 4.49Å; Y925-L937 HydrophobicContact CG-CD1 4.46Å; I928-L937 HydrophobicContact CD1-CD1 3.46Å; I928-L937 VanDerWaalsContact CD1-CD1 3.46Å; I933-L937 HydrophobicContact CG2-CD1 4.42Å; I933-L937 WeakPolarHBondContact O-CG 3.39Å; I933-L937 PolarHBondContact O-N 3.2Å; L934-L937 HydrophobicContact CD2-CD1 4.3Å; L934-L937 PolarHBondContact O-N 3Å; E935-L937 PolarHBondContact O-N 3.03Å; L937-H939 VanDerWaalsContact C-N 3.31Å; L937-H939 PolarHBondContact O-N 3.49Å; L937-I940 PolarHBondContact O-N 3.36Å; L937-H941 PolarHBondContact O-CD2 3.06Å; L937-H941 PolarHBondContact O-N 2.62Å; L937-A953 HydrophobicContact CB-CB 4.48Å |
| 938 | T | 94.1 | Very high | 94 | Very high | 27 Ų | 27 | 56.5 Ų | 56.5 | 17% | 0.166 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 178.2 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | L934 E935 Y936 H942 R950 A953 V954 | L934-T938 WeakPolarHBondContact O-CB 3.48Å; L934-T938 PolarHBondContact O-N 2.88Å; L934-T938 PolarHBondContact O-OG1 3.19Å; E935-T938 WeakPolarHBondContact O-CB 3.25Å; E935-T938 PolarHBondContact O-N 2.97Å; E935-T938 VanDerWaalsContact O-N 3.17Å; Y936-T938 VanDerWaalsContact C-N 3.33Å; Y936-T938 PolarHBondContact O-N 3.14Å; T938-H942 WeakPolarHBondContact O-CB 3.15Å; T938-H942 PolarHBondContact O-N 2.72Å; T938-R950 HydrophobicContact CG2-CG 3.93Å; T938-A953 WeakPolarHBondContact OG1-CB 3.39Å; T938-V954 HydrophobicContact CG2-CG2 3.69Å |
| 939 | H | 94.8 | Very high | 93.8 | Very high | 109 Ų | 109 | 59.1 Ų | 59.1 | 51% | 0.505 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.5 | -47.5 | 176.3 | 177.4 | 72.5 | 0 | 0 | 0 | 112.3 | E935 Y936 L937 H942 K943 | E935-H939 PolarHBondContact O-N 3.03Å; Y936-H939 PolarHBondContact O-N 3.38Å; L937-H939 VanDerWaalsContact C-N 3.31Å; L937-H939 PolarHBondContact O-N 3.49Å; H939-H942 PolarHBondContact O-N 3.44Å; H939-K943 WeakPolarHBondContact O-CB 3.07Å; H939-K943 PolarHBondContact O-N 2.9Å |
| 940 | I | 93.1 | Very high | 93.7 | Very high | 11 Ų | 11 | 60.8 Ų | 60.8 | 6% | 0.056 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 178.3 | -78.9 | -169.9 | 0 | 0 | 0 | 111.3 | L912 Q913 Y936 L937 H942 K943 R944 | L912-I940 HydrophobicContact CB-CD1 4.44Å; Q913-I940 HydrophobicContact CB-CD1 4.44Å; Y936-I940 HydrophobicContact CD1-CD1 3.87Å; Y936-I940 HydrophobicContact CD1-CG1 4.33Å; Y936-I940 HydrophobicContact CE1-CD1 3.13Å; Y936-I940 HydrophobicContact CE1-CG1 3.9Å; Y936-I940 HydrophobicContact CE2-CD1 4.41Å; Y936-I940 HydrophobicContact CE2-CG1 4.48Å; Y936-I940 VanDerWaalsContact CZ-CD1 3.47Å; Y936-I940 PolarHBondContact O-N 3.18Å; L937-I940 PolarHBondContact O-N 3.36Å; I940-H942 VanDerWaalsContact C-N 3.28Å; I940-H942 PolarHBondContact O-N 2.56Å; I940-K943 PolarHBondContact O-N 3.44Å; I940-K943 VanDerWaalsContact O-N 3.17Å; I940-R944 HydrophobicContact CG2-CG 4.41Å; I940-R944 WeakPolarHBondContact O-CG 3.14Å; I940-R944 PolarHBondContact O-N 2.97Å |
| 941 | H | 93.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.6 | -37.1 | 180 | -69.5 | -52.6 | 0 | 0 | 0 | 111.6 | Y925 L937 R944 G945 E946 R950 | Y925-H941 AromaticContact CE2-NE2 3.84Å; Y925-H941 AromaticContact CZ-NE2 3.51Å; Y925-H941 PolarHBondContact OH-CE1 3.35Å; Y925-H941 PolarHBondContact OH-NE2 3.04Å; L937-H941 PolarHBondContact O-CD2 3.06Å; L937-H941 PolarHBondContact O-N 2.62Å; H941-R944 PolarHBondContact O-N 3.37Å; H941-G945 PolarHBondContact O-N 3.44Å; H941-G945 VanDerWaalsContact O-N 3.08Å; H941-E946 HydrophobicContact CB-CB 4.1Å; H941-E946 IonicContact CE1-OE2 3.96Å; H941-E946 PolarHBondContact CE1-OE2 3.32Å; H941-E946 VanDerWaalsContact CE1-OE2 3.26Å; H941-E946 IonicContact CG-OE2 2.62Å; H941-E946 IonicContact ND1-OE2 3.62Å; H941-E946 PolarHBondContact ND1-OE2 2.82Å; H941-E946 PolarHBondContact O-N 3.05Å; H941-R950 HydrophobicContact CB-CB 3.84Å |
| 942 | H | 94.3 | Very high | 93.5 | Very high | 118 Ų | 118 | 66.4 Ų | 66.4 | 55% | 0.546 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 173.1 | -177.5 | 43.9 | 0 | 0 | 0 | 111.9 | T938 H939 I940 R944 G945 R950 | T938-H942 WeakPolarHBondContact O-CB 3.15Å; T938-H942 PolarHBondContact O-N 2.72Å; H939-H942 PolarHBondContact O-N 3.44Å; I940-H942 VanDerWaalsContact C-N 3.28Å; I940-H942 PolarHBondContact O-N 2.56Å; H942-R944 VanDerWaalsContact C-N 3.27Å; H942-R944 PolarHBondContact O-N 3.05Å; H942-G945 PolarHBondContact O-N 3.33Å; H942-R950 PolarHBondContact ND1-NH1 3.3Å |
| 943 | K | 94.5 | Very high | 93.3 | Very high | 169 Ų | 169 | 63.5 Ų | 63.5 | 74% | 0.735 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.3 | -32.7 | 178.3 | -174.3 | 177 | 179.1 | 179 | 0 | 112.8 | H939 I940 | H939-K943 WeakPolarHBondContact O-CB 3.07Å; H939-K943 PolarHBondContact O-N 2.9Å; I940-K943 PolarHBondContact O-N 3.44Å; I940-K943 VanDerWaalsContact O-N 3.17Å |
| 944 | R | 92.4 | Very high | 93.2 | Very high | 61 Ų | 61 | 67.2 Ų | 67.2 | 23% | 0.23 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -88.2 | -6 | 179.1 | -65.9 | 179.8 | -175.2 | 160.1 | 6.8 | 114.3 | L912 Q913 I940 H941 H942 E946 | L912-R944 PolarHBondContact O-NH2 2.83Å; Q913-R944 VanDerWaalsContact CA-NH2 3.33Å; Q913-R944 PolarHBondContact O-NH2 3.29Å; I940-R944 HydrophobicContact CG2-CG 4.41Å; I940-R944 WeakPolarHBondContact O-CG 3.14Å; I940-R944 PolarHBondContact O-N 2.97Å; H941-R944 PolarHBondContact O-N 3.37Å; H942-R944 VanDerWaalsContact C-N 3.27Å; H942-R944 PolarHBondContact O-N 3.05Å; R944-E946 VanDerWaalsContact C-N 3.32Å; R944-E946 HydrophobicContact CB-CG 3.96Å; R944-E946 WeakPolarHBondContact CB-OE1 3.25Å; R944-E946 WeakPolarHBondContact CD-OE1 3.31Å |
| 945 | G | 92.1 | Very high | 93.1 | Very high | 54 Ų | 54 | 75 Ų | 75 | 56% | 0.557 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 15 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | H941 H942 T947 | H941-G945 PolarHBondContact O-N 3.44Å; H941-G945 VanDerWaalsContact O-N 3.08Å; H942-G945 PolarHBondContact O-N 3.33Å; G945-T947 PolarHBondContact O-N 2.68Å |
| 946 | E | 91.9 | Very high | 93 | Very high | 50 Ų | 50 | 69.2 Ų | 69.2 | 23% | 0.234 | 34% | 0.338 | C | S | . | . | trans | -84.4 | 73.2 | -177.1 | -64 | 171.9 | -154.8 | 0 | 0 | 110.9 | H941 R944 E948 K949 R950 | H941-E946 HydrophobicContact CB-CB 4.1Å; H941-E946 IonicContact CE1-OE2 3.96Å; H941-E946 PolarHBondContact CE1-OE2 3.32Å; H941-E946 VanDerWaalsContact CE1-OE2 3.26Å; H941-E946 IonicContact CG-OE2 2.62Å; H941-E946 IonicContact ND1-OE2 3.62Å; H941-E946 PolarHBondContact ND1-OE2 2.82Å; H941-E946 PolarHBondContact O-N 3.05Å; R944-E946 VanDerWaalsContact C-N 3.32Å; R944-E946 HydrophobicContact CB-CG 3.96Å; R944-E946 WeakPolarHBondContact CB-OE1 3.25Å; R944-E946 WeakPolarHBondContact CD-OE1 3.31Å; E946-E948 PolarHBondContact O-N 3.29Å; E946-K949 HydrophobicContact CB-CB 4.47Å; E946-K949 WeakPolarHBondContact OE2-CD 3.33Å; E946-K949 IonicContact OE2-NZ 3.45Å; E946-R950 WeakPolarHBondContact O-CB 3.41Å; E946-R950 PolarHBondContact O-N 3.45Å | ||
| 947 | T | 91.6 | Very high | 92.8 | Very high | 76 Ų | 76 | 69.5 Ų | 69.5 | 47% | 0.466 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.4 | -36.9 | -169.4 | 56.7 | 0 | 0 | 0 | 0 | 114.6 | G945 R950 Q951 | G945-T947 PolarHBondContact O-N 2.68Å; T947-R950 PolarHBondContact O-N 3.29Å; T947-Q951 WeakPolarHBondContact O-CG 3.5Å; T947-Q951 PolarHBondContact O-N 3.36Å |
| 948 | E | 91.9 | Very high | 92.7 | Very high | 154 Ų | 154 | 72.4 Ų | 72.4 | 72% | 0.72 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.8 | -51.4 | 178.6 | -65.2 | -178.2 | 170.3 | 0 | 0 | 111.4 | E946 R950 Q951 I952 | E946-E948 PolarHBondContact O-N 3.29Å; E948-R950 VanDerWaalsContact C-N 3.3Å; E948-R950 PolarHBondContact O-N 3Å; E948-Q951 WeakPolarHBondContact O-CB 3.17Å; E948-Q951 PolarHBondContact O-N 2.98Å; E948-I952 WeakPolarHBondContact O-CG1 3.47Å; E948-I952 PolarHBondContact O-N 3.2Å; E948-I952 VanDerWaalsContact O-N 3.1Å |
| 949 | K | 90.3 | Very high | 92.7 | Very high | 56 Ų | 56 | 73.7 Ų | 73.7 | 24% | 0.243 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.7 | -37.3 | 177.7 | -64.8 | -176 | -177.4 | 174 | 0 | 112.2 | D922 E946 Q951 I952 A953 | D922-K949 HydrophobicContact CB-CG 4.26Å; E946-K949 HydrophobicContact CB-CB 4.47Å; E946-K949 WeakPolarHBondContact OE2-CD 3.33Å; E946-K949 IonicContact OE2-NZ 3.45Å; K949-Q951 VanDerWaalsContact C-N 3.34Å; K949-Q951 PolarHBondContact O-N 3.24Å; K949-I952 PolarHBondContact O-N 3.16Å; K949-A953 PolarHBondContact O-N 2.91Å |
| 950 | R | 93.6 | Very high | 92.6 | Very high | 76 Ų | 76 | 74.2 Ų | 74.2 | 29% | 0.287 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 172 | -173.6 | -170.3 | 65.1 | -178.3 | -2.7 | 111.5 | T938 H941 H942 E946 T947 E948 I952 A953 V954 | T938-R950 HydrophobicContact CG2-CG 3.93Å; H941-R950 HydrophobicContact CB-CB 3.84Å; H942-R950 PolarHBondContact ND1-NH1 3.3Å; E946-R950 WeakPolarHBondContact O-CB 3.41Å; E946-R950 PolarHBondContact O-N 3.45Å; T947-R950 PolarHBondContact O-N 3.29Å; E948-R950 VanDerWaalsContact C-N 3.3Å; E948-R950 PolarHBondContact O-N 3Å; R950-I952 VanDerWaalsContact C-N 3.31Å; R950-I952 PolarHBondContact O-N 3.42Å; R950-A953 PolarHBondContact O-N 2.98Å; R950-V954 HydrophobicContact CG-CG2 4.49Å; R950-V954 VanDerWaalsContact O-CG2 3.29Å; R950-V954 WeakPolarHBondContact O-CG2 3.46Å; R950-V954 PolarHBondContact O-N 2.96Å |
| 951 | Q | 93.1 | Very high | 92.5 | Very high | 129 Ų | 129 | 76.8 Ų | 76.8 | 60% | 0.603 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.6 | -38.2 | 178 | -73.8 | 178.8 | 1.7 | 0 | 0 | 111.9 | T947 E948 K949 V954 K955 | T947-Q951 WeakPolarHBondContact O-CG 3.5Å; T947-Q951 PolarHBondContact O-N 3.36Å; E948-Q951 WeakPolarHBondContact O-CB 3.17Å; E948-Q951 PolarHBondContact O-N 2.98Å; K949-Q951 VanDerWaalsContact C-N 3.34Å; K949-Q951 PolarHBondContact O-N 3.24Å; Q951-V954 PolarHBondContact O-N 3.48Å; Q951-K955 VanDerWaalsContact O-CB 3.31Å; Q951-K955 WeakPolarHBondContact O-CB 3.39Å; Q951-K955 PolarHBondContact O-N 3.18Å |
| 952 | I | 93.2 | Very high | 92.4 | Very high | 65 Ų | 65 | 77.1 Ų | 77.1 | 33% | 0.333 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 175.3 | -60.4 | 170.1 | 0 | 0 | 0 | 110.5 | D922 Y925 E948 K949 R950 K955 A956 | D922-I952 HydrophobicContact CB-CD1 4.24Å; Y925-I952 HydrophobicContact CD2-CB 4.43Å; Y925-I952 HydrophobicContact CD2-CG2 3.92Å; E948-I952 WeakPolarHBondContact O-CG1 3.47Å; E948-I952 PolarHBondContact O-N 3.2Å; E948-I952 VanDerWaalsContact O-N 3.1Å; K949-I952 PolarHBondContact O-N 3.16Å; R950-I952 VanDerWaalsContact C-N 3.31Å; R950-I952 PolarHBondContact O-N 3.42Å; I952-K955 WeakPolarHBondContact O-CB 3.25Å; I952-K955 PolarHBondContact O-N 2.99Å; I952-A956 PolarHBondContact O-N 3.28Å |
| 953 | A | 91.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L937 T938 K949 R950 K955 A956 I957 | L937-A953 HydrophobicContact CB-CB 4.48Å; T938-A953 WeakPolarHBondContact OG1-CB 3.39Å; K949-A953 PolarHBondContact O-N 2.91Å; R950-A953 PolarHBondContact O-N 2.98Å; A953-K955 VanDerWaalsContact C-N 3.32Å; A953-K955 PolarHBondContact O-N 3.22Å; A953-A956 WeakPolarHBondContact O-CB 3.49Å; A953-A956 PolarHBondContact O-N 3.37Å; A953-A956 VanDerWaalsContact O-N 3.13Å; A953-I957 WeakPolarHBondContact O-CG1 3.41Å; A953-I957 PolarHBondContact O-N 2.87Å |
| 954 | V | 93 | Very high | 92 | Very high | 77 Ų | 77 | 71.8 Ų | 71.8 | 47% | 0.467 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 175.1 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | T938 R950 Q951 A956 I957 G958 | T938-V954 HydrophobicContact CG2-CG2 3.69Å; R950-V954 HydrophobicContact CG-CG2 4.49Å; R950-V954 VanDerWaalsContact O-CG2 3.29Å; R950-V954 WeakPolarHBondContact O-CG2 3.46Å; R950-V954 PolarHBondContact O-N 2.96Å; Q951-V954 PolarHBondContact O-N 3.48Å; V954-A956 VanDerWaalsContact C-N 3.31Å; V954-A956 PolarHBondContact O-N 2.93Å; V954-I957 PolarHBondContact O-N 3.15Å; V954-G958 PolarHBondContact O-N 3.47Å |
| 955 | K | 93.1 | Very high | 91.9 | Very high | 165 Ų | 165 | 73.7 Ų | 73.7 | 72% | 0.717 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.9 | -37.1 | 175.3 | -175.1 | -176.2 | 177 | -173 | 0 | 111.7 | Q951 I952 A953 G958 | Q951-K955 VanDerWaalsContact O-CB 3.31Å; Q951-K955 WeakPolarHBondContact O-CB 3.39Å; Q951-K955 PolarHBondContact O-N 3.18Å; I952-K955 WeakPolarHBondContact O-CB 3.25Å; I952-K955 PolarHBondContact O-N 2.99Å; A953-K955 VanDerWaalsContact C-N 3.32Å; A953-K955 PolarHBondContact O-N 3.22Å; K955-G958 PolarHBondContact O-N 3.29Å |
| 956 | A | 91.4 | Very high | 92 | Very high | 3 Ų | 3 | 73.1 Ų | 73.1 | 3% | 0.025 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L934 I952 A953 V954 G958 Q959 | L934-A956 HydrophobicContact CD1-CB 4.19Å; L934-A956 HydrophobicContact CD2-CB 4.03Å; I952-A956 PolarHBondContact O-N 3.28Å; A953-A956 WeakPolarHBondContact O-CB 3.49Å; A953-A956 PolarHBondContact O-N 3.37Å; A953-A956 VanDerWaalsContact O-N 3.13Å; V954-A956 VanDerWaalsContact C-N 3.31Å; V954-A956 PolarHBondContact O-N 2.93Å; A956-G958 VanDerWaalsContact C-N 3.3Å; A956-G958 PolarHBondContact O-N 2.96Å; A956-Q959 WeakPolarHBondContact O-CB 3.38Å; A956-Q959 VanDerWaalsContact O-CG 3.26Å; A956-Q959 WeakPolarHBondContact O-CG 3.46Å; A956-Q959 PolarHBondContact O-N 2.95Å |
| 957 | I | 92.5 | Very high | 92.1 | Very high | 57 Ų | 57 | 74.7 Ų | 74.7 | 29% | 0.292 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 174.4 | -64.4 | 170.3 | 0 | 0 | 0 | 111.3 | L934 A953 V954 Q959 | L934-I957 HydrophobicContact CB-CD1 3.92Å; L934-I957 HydrophobicContact CB-CG1 3.46Å; L934-I957 VanDerWaalsContact CB-CG1 3.46Å; L934-I957 HydrophobicContact CD1-CG1 4.01Å; L934-I957 HydrophobicContact CG-CG1 4.33Å; A953-I957 WeakPolarHBondContact O-CG1 3.41Å; A953-I957 PolarHBondContact O-N 2.87Å; V954-I957 PolarHBondContact O-N 3.15Å; I957-Q959 PolarHBondContact O-N 3.44Å; I957-Q959 VanDerWaalsContact O-N 3.09Å |
| 958 | G | 91.5 | Very high | 92.2 | Very high | 63 Ų | 63 | 76.5 Ų | 76.5 | 65% | 0.649 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | 3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | V954 K955 A956 | V954-G958 PolarHBondContact O-N 3.47Å; K955-G958 PolarHBondContact O-N 3.29Å; A956-G958 VanDerWaalsContact C-N 3.3Å; A956-G958 PolarHBondContact O-N 2.96Å |
| 959 | Q | 93.3 | Very high | 92.3 | Very high | 54 Ų | 54 | 76.9 Ų | 76.9 | 25% | 0.252 | 42% | 0.419 | S | S | . | . | trans | -71.1 | 129.6 | 177.4 | -68.2 | 179.1 | 4.1 | 0 | 0 | 110.9 | A956 I957 E961 L962 | A956-Q959 WeakPolarHBondContact O-CB 3.38Å; A956-Q959 VanDerWaalsContact O-CG 3.26Å; A956-Q959 WeakPolarHBondContact O-CG 3.46Å; A956-Q959 PolarHBondContact O-N 2.95Å; I957-Q959 PolarHBondContact O-N 3.44Å; I957-Q959 VanDerWaalsContact O-N 3.09Å; Q959-E961 PolarHBondContact O-N 3.25Å; Q959-L962 HydrophobicContact CB-CG 4.39Å; Q959-L962 PolarHBondContact O-N 3.3Å | ||
| 960 | T | 92.8 | Very high | 92.4 | Very high | 120 Ų | 120 | 77.1 Ų | 77.1 | 74% | 0.736 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -59.9 | -29.9 | -179.9 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | L962 N963 N966 | T960-L962 PolarHBondContact O-N 2.87Å; T960-N963 PolarHBondContact O-N 3Å; T960-N966 PolarHBondContact O-ND2 3.46Å |
| 961 | E | 92.1 | Very high | 92.4 | Very high | 65 Ų | 65 | 75.6 Ų | 75.6 | 30% | 0.304 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -63.9 | -26.4 | 176.8 | -61.8 | -176.7 | 173.5 | 0 | 0 | 113 | Q959 N966 A974 K977 R978 | Q959-E961 PolarHBondContact O-N 3.25Å; E961-N966 PolarHBondContact O-ND2 2.92Å; E961-A974 HydrophobicContact CB-CB 4.19Å; E961-K977 IonicContact OE1-NZ 3.81Å; E961-K977 PolarHBondContact OE1-NZ 3.49Å; E961-K977 VanDerWaalsContact OE1-NZ 3.16Å; E961-R978 IonicContact OE2-CZ 2.72Å; E961-R978 IonicContact OE2-NH1 3.6Å; E961-R978 PolarHBondContact OE2-NH1 3.34Å; E961-R978 IonicContact OE2-NH2 3.59Å; E961-R978 PolarHBondContact OE2-NH2 3.07Å |
| 962 | L | 90.9 | Very high | 92.4 | Very high | 7 Ų | 7 | 74.9 Ų | 74.9 | 4% | 0.037 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -102 | 7.6 | -174.2 | -59.5 | -175.2 | 0 | 0 | 0 | 113.5 | W929 L934 Q959 T960 S964 | W929-L962 HydrophobicContact CB-CD2 3.69Å; L934-L962 HydrophobicContact CD1-CD1 3.97Å; Q959-L962 HydrophobicContact CB-CG 4.39Å; Q959-L962 PolarHBondContact O-N 3.3Å; T960-L962 PolarHBondContact O-N 2.87Å; L962-S964 PolarHBondContact O-N 3.42Å; L962-S964 VanDerWaalsContact O-N 3.14Å |
| 963 | N | 91.4 | Very high | 92.4 | Very high | 77 Ų | 77 | 77.1 Ų | 77.1 | 41% | 0.412 | 43% | 0.431 | S | S | . | . | trans | -63.3 | 118 | 177 | -176.8 | -6.7 | 0 | 0 | 0 | 109.7 | T960 S965 N966 | T960-N963 PolarHBondContact O-N 3Å; N963-S965 PolarHBondContact O-N 3.21Å; N963-S965 WeakPolarHBondContact OD1-CB 3.41Å; N963-S965 PolarHBondContact OD1-N 3.47Å; N963-N966 WeakPolarHBondContact O-CB 3.38Å; N963-N966 VanDerWaalsContact O-CG 3.26Å; N963-N966 PolarHBondContact O-N 3.04Å; N963-N966 PolarHBondContact O-ND2 3.13Å | ||
| 964 | S | 87.9 | Confident | 92.5 | Very high | 98 Ų | 98 | 77.4 Ų | 77.4 | 69% | 0.685 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -15.5 | 179.7 | 55.2 | 0 | 0 | 0 | 0 | 113.9 | L962 N966 | L962-S964 PolarHBondContact O-N 3.42Å; L962-S964 VanDerWaalsContact O-N 3.14Å; S964-N966 VanDerWaalsContact C-N 3.34Å |
| 965 | S | 91.5 | Very high | 92.6 | Very high | 101 Ų | 101 | 74.2 Ų | 74.2 | 71% | 0.706 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -1.7 | 174 | -53.7 | 0 | 0 | 0 | 0 | 113.8 | N963 | N963-S965 PolarHBondContact O-N 3.21Å; N963-S965 WeakPolarHBondContact OD1-CB 3.41Å; N963-S965 PolarHBondContact OD1-N 3.47Å |
| 966 | N | 93.1 | Very high | 92.6 | Very high | 42 Ų | 42 | 70.7 Ų | 70.7 | 23% | 0.225 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -67.9 | 152.9 | 174.9 | -74 | -22.2 | 0 | 0 | 0 | 111.1 | T960 E961 N963 S964 V970 L971 | T960-N966 PolarHBondContact O-ND2 3.46Å; E961-N966 PolarHBondContact O-ND2 2.92Å; N963-N966 WeakPolarHBondContact O-CB 3.38Å; N963-N966 VanDerWaalsContact O-CG 3.26Å; N963-N966 PolarHBondContact O-N 3.04Å; N963-N966 PolarHBondContact O-ND2 3.13Å; S964-N966 VanDerWaalsContact C-N 3.34Å; N966-V970 HydrophobicContact CB-CB 4.28Å; N966-V970 HydrophobicContact CB-CG1 4.3Å; N966-L971 HydrophobicContact CB-CD2 4.06Å; N966-L971 HydrophobicContact CB-CG 4.12Å |
| 967 | P | 94.9 | Very high | 92.8 | Very high | 83 Ų | 83 | 74.4 Ų | 74.4 | 54% | 0.539 | 42% | 0.417 | S | S | . | . | trans | -61.9 | 147 | 169.1 | 27.9 | -34.3 | 0 | 0 | 0 | 110.7 | E969 V970 L971 | P967-E969 PolarHBondContact O-N 2.69Å; P967-E969 VanDerWaalsContact O-N 3.09Å; P967-V970 HydrophobicContact CG-CB 4.43Å; P967-V970 HydrophobicContact CG-CG2 3.86Å; P967-V970 WeakPolarHBondContact O-CB 3.44Å; P967-V970 PolarHBondContact O-N 3.46Å; P967-L971 PolarHBondContact O-N 3.36Å | ||
| 968 | E | 92 | Very high | 93 | Very high | 115 Ų | 115 | 72.3 Ų | 72.3 | 54% | 0.537 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -53.5 | -35.8 | -173.7 | -177.8 | 60.4 | -160.9 | 0 | 0 | 113.2 | V970 L971 Q972 | E968-V970 VanDerWaalsContact C-N 3.28Å; E968-V970 PolarHBondContact O-N 3.34Å; E968-L971 PolarHBondContact O-N 3.37Å; E968-Q972 HydrophobicContact CG-CG 4.11Å; E968-Q972 VanDerWaalsContact CG-NE2 3.29Å; E968-Q972 WeakPolarHBondContact O-CB 3.44Å; E968-Q972 WeakPolarHBondContact O-CG 3.43Å; E968-Q972 PolarHBondContact O-N 3.42Å; E968-Q972 VanDerWaalsContact OE1-CG 3.3Å; E968-Q972 WeakPolarHBondContact OE1-CG 3.5Å; E968-Q972 PolarHBondContact OE1-NE2 3.15Å |
| 969 | E | 93.9 | Very high | 93.1 | Very high | 161 Ų | 161 | 72.7 Ų | 72.7 | 75% | 0.752 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -57.6 | -39.1 | 177.7 | -62.4 | 178.9 | 179.5 | 0 | 0 | 113 | P967 L973 | P967-E969 PolarHBondContact O-N 2.69Å; P967-E969 VanDerWaalsContact O-N 3.09Å; E969-L973 WeakPolarHBondContact O-CB 3.36Å; E969-L973 PolarHBondContact O-N 2.94Å |
| 970 | V | 94.1 | Very high | 93.3 | Very high | 62 Ų | 62 | 73.6 Ų | 73.6 | 38% | 0.376 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -71.1 | -42.1 | 179.3 | 174.3 | 0 | 0 | 0 | 0 | 110 | N966 P967 E968 L973 A974 | N966-V970 HydrophobicContact CB-CB 4.28Å; N966-V970 HydrophobicContact CB-CG1 4.3Å; P967-V970 HydrophobicContact CG-CB 4.43Å; P967-V970 HydrophobicContact CG-CG2 3.86Å; P967-V970 WeakPolarHBondContact O-CB 3.44Å; P967-V970 PolarHBondContact O-N 3.46Å; E968-V970 VanDerWaalsContact C-N 3.28Å; E968-V970 PolarHBondContact O-N 3.34Å; V970-L973 PolarHBondContact O-N 3.45Å; V970-A974 VanDerWaalsContact O-CB 3.24Å; V970-A974 WeakPolarHBondContact O-CB 3.49Å; V970-A974 PolarHBondContact O-N 2.68Å |
| 971 | L | 93.1 | Very high | 93.4 | Very high | 43 Ų | 43 | 74.6 Ų | 74.6 | 23% | 0.225 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 178 | -63.2 | 178.2 | 0 | 0 | 0 | 111.4 | N966 P967 E968 A974 A975 | N966-L971 HydrophobicContact CB-CD2 4.06Å; N966-L971 HydrophobicContact CB-CG 4.12Å; P967-L971 PolarHBondContact O-N 3.36Å; E968-L971 PolarHBondContact O-N 3.37Å; L971-A974 PolarHBondContact O-N 2.98Å; L971-A975 WeakPolarHBondContact O-CB 3.39Å; L971-A975 PolarHBondContact O-N 3.19Å |
| 972 | Q | 92.8 | Very high | 93.7 | Very high | 114 Ų | 114 | 71.5 Ų | 71.5 | 53% | 0.533 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 176.7 | -72.5 | -178.1 | 4.4 | 0 | 0 | 112.1 | E968 A975 Q976 | E968-Q972 HydrophobicContact CG-CG 4.11Å; E968-Q972 VanDerWaalsContact CG-NE2 3.29Å; E968-Q972 WeakPolarHBondContact O-CB 3.44Å; E968-Q972 WeakPolarHBondContact O-CG 3.43Å; E968-Q972 PolarHBondContact O-N 3.42Å; E968-Q972 VanDerWaalsContact OE1-CG 3.3Å; E968-Q972 WeakPolarHBondContact OE1-CG 3.5Å; E968-Q972 PolarHBondContact OE1-NE2 3.15Å; Q972-A975 PolarHBondContact O-N 2.72Å; Q972-Q976 WeakPolarHBondContact O-CB 3.43Å; Q972-Q976 PolarHBondContact O-N 3.39Å |
| 973 | L | 94.1 | Very high | 94 | Very high | 112 Ų | 112 | 71.6 Ų | 71.6 | 59% | 0.586 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.1 | -42.5 | 176.7 | -177.8 | 63.2 | 0 | 0 | 0 | 111.7 | E969 V970 Q976 K977 | E969-L973 WeakPolarHBondContact O-CB 3.36Å; E969-L973 PolarHBondContact O-N 2.94Å; V970-L973 PolarHBondContact O-N 3.45Å; L973-Q976 PolarHBondContact O-N 3.23Å; L973-K977 WeakPolarHBondContact O-CB 3.43Å; L973-K977 PolarHBondContact O-N 3.29Å |
| 974 | A | 94 | Very high | 94.2 | Very high | 6 Ų | 6 | 70 Ų | 70 | 5% | 0.05 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E961 V970 L971 R978 | E961-A974 HydrophobicContact CB-CB 4.19Å; V970-A974 VanDerWaalsContact O-CB 3.24Å; V970-A974 WeakPolarHBondContact O-CB 3.49Å; V970-A974 PolarHBondContact O-N 2.68Å; L971-A974 PolarHBondContact O-N 2.98Å; A974-R978 WeakPolarHBondContact O-CG 3.24Å; A974-R978 PolarHBondContact O-N 3.47Å; A974-R978 VanDerWaalsContact O-N 3.17Å; A974-R978 PolarHBondContact O-NH1 3.33Å; A974-R978 VanDerWaalsContact O-NH1 3.12Å |
| 975 | A | 94.3 | Very high | 94.6 | Very high | 11 Ų | 11 | 66.7 Ų | 66.7 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.9 | -47.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | W929 L971 Q972 K977 R978 K979 | W929-A975 HydrophobicContact CD2-CB 3.93Å; W929-A975 HydrophobicContact CG-CB 3.85Å; L971-A975 WeakPolarHBondContact O-CB 3.39Å; L971-A975 PolarHBondContact O-N 3.19Å; Q972-A975 PolarHBondContact O-N 2.72Å; A975-K977 PolarHBondContact O-N 2.96Å; A975-R978 PolarHBondContact O-N 3.47Å; A975-K979 WeakPolarHBondContact O-CB 3.39Å; A975-K979 VanDerWaalsContact O-CG 3.31Å; A975-K979 WeakPolarHBondContact O-CG 3.37Å; A975-K979 PolarHBondContact O-N 2.93Å |
| 976 | Q | 93.6 | Very high | 94.8 | Very high | 91 Ų | 91 | 61.9 Ų | 61.9 | 43% | 0.425 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 179.6 | -171.7 | -174.5 | 4.4 | 0 | 0 | 112.2 | Q972 L973 R978 K979 K980 | Q972-Q976 WeakPolarHBondContact O-CB 3.43Å; Q972-Q976 PolarHBondContact O-N 3.39Å; L973-Q976 PolarHBondContact O-N 3.23Å; Q976-R978 VanDerWaalsContact C-N 3.34Å; Q976-R978 PolarHBondContact O-N 3.16Å; Q976-K979 PolarHBondContact O-N 3.03Å; Q976-K980 WeakPolarHBondContact O-CB 3.35Å; Q976-K980 PolarHBondContact O-N 3.43Å |
| 977 | K | 94.9 | Very high | 94.9 | Very high | 81 Ų | 81 | 59.9 Ų | 59.9 | 35% | 0.352 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 175.9 | -179.2 | -177.4 | 171.8 | -168.2 | 0 | 111.5 | E961 L973 A975 R981 | E961-K977 IonicContact OE1-NZ 3.81Å; E961-K977 PolarHBondContact OE1-NZ 3.49Å; E961-K977 VanDerWaalsContact OE1-NZ 3.16Å; L973-K977 WeakPolarHBondContact O-CB 3.43Å; L973-K977 PolarHBondContact O-N 3.29Å; A975-K977 PolarHBondContact O-N 2.96Å; K977-R981 WeakPolarHBondContact O-CG 3.35Å; K977-R981 PolarHBondContact O-N 3.32Å; K977-R981 VanDerWaalsContact O-N 3.1Å |
| 978 | R | 96 | Very high | 94.9 | Very high | 13 Ų | 13 | 63.4 Ų | 63.4 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.2 | -44.7 | 176.4 | -75.1 | 171.2 | 179.2 | 73.2 | -0.6 | 111.7 | D926 W929 E961 A974 A975 Q976 K980 R981 F982 | D926-R978 WeakPolarHBondContact O-CG 3.29Å; D926-R978 PolarHBondContact O-NE 3.34Å; W929-R978 HydrophobicContact CE3-CB 3.84Å; W929-R978 HydrophobicContact CZ3-CB 4.32Å; E961-R978 IonicContact OE2-CZ 2.72Å; E961-R978 IonicContact OE2-NH1 3.6Å; E961-R978 PolarHBondContact OE2-NH1 3.34Å; E961-R978 IonicContact OE2-NH2 3.59Å; E961-R978 PolarHBondContact OE2-NH2 3.07Å; A974-R978 WeakPolarHBondContact O-CG 3.24Å; A974-R978 PolarHBondContact O-N 3.47Å; A974-R978 VanDerWaalsContact O-N 3.17Å; A974-R978 PolarHBondContact O-NH1 3.33Å; A974-R978 VanDerWaalsContact O-NH1 3.12Å; A975-R978 PolarHBondContact O-N 3.47Å; Q976-R978 VanDerWaalsContact C-N 3.34Å; Q976-R978 PolarHBondContact O-N 3.16Å; R978-K980 VanDerWaalsContact C-N 3.35Å; R978-K980 PolarHBondContact O-N 3.29Å; R978-R981 PolarHBondContact O-N 2.87Å; R978-F982 WeakPolarHBondContact O-CB 3.34Å; R978-F982 PolarHBondContact O-N 3.25Å |
| 979 | K | 95.3 | Very high | 95 | Very high | 70 Ų | 70 | 63 Ų | 63 | 30% | 0.304 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -53.1 | -50.4 | 173.2 | -73.7 | -177.2 | 178.9 | -176.3 | 0 | 111.5 | F899 W929 A975 Q976 F982 L983 | F899-K979 HydrophobicContact CD1-CD 4.19Å; F899-K979 HydrophobicContact CD1-CG 4.17Å; F899-K979 HydrophobicContact CE1-CB 3.75Å; F899-K979 HydrophobicContact CE1-CD 4.08Å; F899-K979 HydrophobicContact CE1-CG 3.62Å; F899-K979 HydrophobicContact CE2-CG 4.13Å; F899-K979 HydrophobicContact CZ-CB 3.79Å; F899-K979 HydrophobicContact CZ-CG 3.62Å; W929-K979 HydrophobicContact CH2-CD 4.07Å; W929-K979 VanDerWaalsContact CH2-CE 3.43Å; W929-K979 HydrophobicContact CH2-CG 3.4Å; W929-K979 HydrophobicContact CZ2-CD 4.28Å; W929-K979 HydrophobicContact CZ2-CG 4.04Å; W929-K979 HydrophobicContact CZ3-CG 3.77Å; A975-K979 WeakPolarHBondContact O-CB 3.39Å; A975-K979 VanDerWaalsContact O-CG 3.31Å; A975-K979 WeakPolarHBondContact O-CG 3.37Å; A975-K979 PolarHBondContact O-N 2.93Å; Q976-K979 PolarHBondContact O-N 3.03Å; K979-F982 PolarHBondContact O-N 3.23Å; K979-L983 WeakPolarHBondContact O-CB 3.24Å; K979-L983 WeakPolarHBondContact O-CG 3.31Å; K979-L983 PolarHBondContact O-N 3.4Å |
| 980 | K | 96.1 | Very high | 94.9 | Very high | 73 Ų | 73 | 57.4 Ų | 57.4 | 32% | 0.317 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.7 | -53.5 | 176.4 | 167.8 | 170 | -177.7 | 177 | 0 | 112 | F863 Q976 R978 F982 L983 Q984 | F863-K980 WeakPolarHBondContact O-CD 3.39Å; F863-K980 VanDerWaalsContact O-CG 3.24Å; F863-K980 WeakPolarHBondContact O-CG 3.23Å; Q976-K980 WeakPolarHBondContact O-CB 3.35Å; Q976-K980 PolarHBondContact O-N 3.43Å; R978-K980 VanDerWaalsContact C-N 3.35Å; R978-K980 PolarHBondContact O-N 3.29Å; K980-F982 VanDerWaalsContact C-N 3.33Å; K980-F982 PolarHBondContact O-N 3.15Å; K980-L983 PolarHBondContact O-N 3.03Å; K980-Q984 WeakPolarHBondContact O-CB 3.05Å; K980-Q984 VanDerWaalsContact O-CG 3.3Å; K980-Q984 WeakPolarHBondContact O-CG 3.26Å; K980-Q984 PolarHBondContact O-N 2.77Å |
| 981 | R | 96.3 | Very high | 94.6 | Very high | 142 Ų | 142 | 59.8 Ų | 59.8 | 54% | 0.536 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | -177.3 | -72.4 | 177.3 | 172.4 | -169.7 | -3.8 | 111.9 | Y927 K977 R978 Q984 A985 | Y927-R981 HydrophobicContact CD1-CB 4.13Å; Y927-R981 HydrophobicContact CE1-CB 3.72Å; K977-R981 WeakPolarHBondContact O-CG 3.35Å; K977-R981 PolarHBondContact O-N 3.32Å; K977-R981 VanDerWaalsContact O-N 3.1Å; R978-R981 PolarHBondContact O-N 2.87Å; R981-Q984 PolarHBondContact O-N 3.47Å; R981-A985 WeakPolarHBondContact O-CB 3.47Å; R981-A985 PolarHBondContact O-N 3.35Å |
| 982 | F | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.5 | -49.6 | 177.6 | 176.9 | -105.4 | 0 | 0 | 0 | 111.9 | Q892 V895 L896 F899 F924 Y927 R978 K979 K980 Q984 A985 M986 | Q892-F982 HydrophobicContact CB-CZ 4.25Å; Q892-F982 HydrophobicContact CG-CE2 4.37Å; Q892-F982 HydrophobicContact CG-CZ 4.44Å; V895-F982 HydrophobicContact CB-CD2 4.19Å; V895-F982 HydrophobicContact CB-CE1 4.27Å; V895-F982 HydrophobicContact CB-CE2 3.76Å; V895-F982 HydrophobicContact CB-CZ 3.79Å; V895-F982 HydrophobicContact CG1-CB 4.37Å; V895-F982 HydrophobicContact CG1-CD1 3.76Å; V895-F982 HydrophobicContact CG1-CD2 3.6Å; V895-F982 HydrophobicContact CG1-CE1 3.82Å; V895-F982 HydrophobicContact CG1-CE2 3.66Å; V895-F982 HydrophobicContact CG1-CG 3.62Å; V895-F982 HydrophobicContact CG1-CZ 3.76Å; V895-F982 HydrophobicContact CG2-CD2 4.47Å; V895-F982 HydrophobicContact CG2-CE2 4.15Å; L896-F982 HydrophobicContact CD2-CE1 3.81Å; L896-F982 HydrophobicContact CG-CE1 3.9Å; L896-F982 HydrophobicContact CG-CZ 4.19Å; F899-F982 AromaticContact CE2-CD1 3.81Å; F899-F982 HydrophobicContact CE2-CD1 3.81Å; F899-F982 HydrophobicContact CE2-CE1 4.21Å; F899-F982 AromaticContact CZ-CD1 3.67Å; F899-F982 HydrophobicContact CZ-CD1 3.67Å; F899-F982 HydrophobicContact CZ-CE1 4.37Å; F924-F982 AromaticContact CD1-CD2 3.82Å; F924-F982 HydrophobicContact CD1-CD2 3.82Å; F924-F982 AromaticContact CD1-CE2 3.62Å; F924-F982 HydrophobicContact CD1-CE2 3.62Å; F924-F982 AromaticContact CE1-CD2 3.91Å; F924-F982 HydrophobicContact CE1-CD2 3.91Å; F924-F982 AromaticContact CE1-CE2 3.67Å; F924-F982 HydrophobicContact CE1-CE2 3.67Å; Y927-F982 HydrophobicContact CD1-CB 4.03Å; Y927-F982 AromaticContact CD2-CD2 3.88Å; Y927-F982 HydrophobicContact CD2-CD2 3.88Å; Y927-F982 HydrophobicContact CG-CB 3.96Å; Y927-F982 HydrophobicContact CG-CD2 4.04Å; Y927-F982 HydrophobicContact CG-CG 4.46Å; R978-F982 WeakPolarHBondContact O-CB 3.34Å; R978-F982 PolarHBondContact O-N 3.25Å; K979-F982 PolarHBondContact O-N 3.23Å; K980-F982 VanDerWaalsContact C-N 3.33Å; K980-F982 PolarHBondContact O-N 3.15Å; F982-Q984 VanDerWaalsContact C-N 3.32Å; F982-Q984 PolarHBondContact O-N 3.24Å; F982-A985 WeakPolarHBondContact O-CB 3.12Å; F982-A985 PolarHBondContact O-N 3.33Å; F982-A985 VanDerWaalsContact O-N 3.14Å; F982-M986 HydrophobicContact CD1-CG 4.35Å; F982-M986 HydrophobicContact CD1-SD 4.43Å; F982-M986 HydrophobicContact CD2-CG 4.4Å; F982-M986 HydrophobicContact CE1-CE 3.77Å; F982-M986 HydrophobicContact CE1-CG 3.94Å; F982-M986 HydrophobicContact CE1-SD 3.5Å; F982-M986 VanDerWaalsContact CE1-SD 3.5Å; F982-M986 HydrophobicContact CE2-CG 3.99Å; F982-M986 HydrophobicContact CE2-SD 4.07Å; F982-M986 HydrophobicContact CZ-CE 4.2Å; F982-M986 HydrophobicContact CZ-CG 3.76Å; F982-M986 HydrophobicContact CZ-SD 3.3Å; F982-M986 WeakPolarHBondContact CZ-SD 3.34Å; F982-M986 WeakPolarHBondContact O-CG 3.43Å; F982-M986 PolarHBondContact O-N 3.49Å |
| 983 | L | 96.9 | Very high | 94.7 | Very high | 9 Ų | 9 | 57.8 Ų | 57.8 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 178.6 | -69.7 | 176.6 | 0 | 0 | 0 | 112.2 | L853 F863 V867 Y872 F899 K979 K980 M986 A987 | L853-L983 HydrophobicContact CD2-CD2 4.12Å; F863-L983 HydrophobicContact CB-CB 4.12Å; F863-L983 HydrophobicContact CD1-CB 3.72Å; F863-L983 HydrophobicContact CD1-CD1 3.49Å; F863-L983 VanDerWaalsContact CD1-CD1 3.49Å; F863-L983 HydrophobicContact CD1-CG 4.19Å; F863-L983 HydrophobicContact CD2-CB 3.86Å; F863-L983 HydrophobicContact CE1-CB 4Å; F863-L983 HydrophobicContact CE1-CD1 3.84Å; F863-L983 HydrophobicContact CE1-CD2 4.49Å; F863-L983 HydrophobicContact CE1-CG 4.34Å; F863-L983 HydrophobicContact CE2-CB 4.17Å; F863-L983 HydrophobicContact CG-CB 3.6Å; F863-L983 HydrophobicContact CG-CD1 4.14Å; F863-L983 HydrophobicContact CZ-CB 4.2Å; V867-L983 HydrophobicContact CG2-CD1 4.32Å; Y872-L983 HydrophobicContact CE2-CD1 4.43Å; Y872-L983 HydrophobicContact CE2-CD2 4.31Å; F899-L983 HydrophobicContact CE1-CD1 3.81Å; F899-L983 HydrophobicContact CE1-CD2 4.06Å; F899-L983 HydrophobicContact CE1-CG 3.83Å; F899-L983 HydrophobicContact CZ-CD2 4.36Å; F899-L983 HydrophobicContact CZ-CG 4.12Å; K979-L983 WeakPolarHBondContact O-CB 3.24Å; K979-L983 WeakPolarHBondContact O-CG 3.31Å; K979-L983 PolarHBondContact O-N 3.4Å; K980-L983 PolarHBondContact O-N 3.03Å; L983-M986 HydrophobicContact CD2-CE 4.19Å; L983-M986 PolarHBondContact O-N 3.37Å; L983-A987 WeakPolarHBondContact O-CB 3.33Å; L983-A987 PolarHBondContact O-N 3.38Å |
| 984 | Q | 96.6 | Very high | 94.8 | Very high | 42 Ų | 42 | 54.8 Ų | 54.8 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.8 | -36.1 | 173.8 | -72.1 | -177.2 | -18.9 | 0 | 0 | 112.9 | F862 F863 K980 R981 F982 K988 | F862-Q984 HydrophobicContact CD1-CG 4.14Å; F862-Q984 HydrophobicContact CE1-CB 4.44Å; F862-Q984 HydrophobicContact CE1-CG 4.11Å; F862-Q984 PolarHBondContact O-NE2 3.36Å; F863-Q984 HydrophobicContact CB-CG 4.16Å; F863-Q984 HydrophobicContact CD2-CG 4.22Å; K980-Q984 WeakPolarHBondContact O-CB 3.05Å; K980-Q984 VanDerWaalsContact O-CG 3.3Å; K980-Q984 WeakPolarHBondContact O-CG 3.26Å; K980-Q984 PolarHBondContact O-N 2.77Å; R981-Q984 PolarHBondContact O-N 3.47Å; F982-Q984 VanDerWaalsContact C-N 3.32Å; F982-Q984 PolarHBondContact O-N 3.24Å; Q984-K988 WeakPolarHBondContact O-CG 3.38Å; Q984-K988 PolarHBondContact O-N 3.12Å |
| 985 | A | 95.9 | Very high | 94.8 | Very high | 29 Ų | 29 | 57.6 Ų | 57.6 | 24% | 0.24 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.5 | -44.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R981 F982 K988 L989 | R981-A985 WeakPolarHBondContact O-CB 3.47Å; R981-A985 PolarHBondContact O-N 3.35Å; F982-A985 WeakPolarHBondContact O-CB 3.12Å; F982-A985 PolarHBondContact O-N 3.33Å; F982-A985 VanDerWaalsContact O-N 3.14Å; A985-K988 PolarHBondContact O-N 3.37Å; A985-L989 PolarHBondContact O-N 3.04Å; A985-L989 VanDerWaalsContact O-N 3.12Å |
| 986 | M | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63 | -42.8 | 174.7 | -67.6 | -147.4 | -46 | 0 | 0 | 111.8 | L853 M880 L896 F982 L983 K988 L989 Y990 | L853-M986 HydrophobicContact CD1-CB 3.91Å; L853-M986 HydrophobicContact CD1-CE 4.19Å; L853-M986 HydrophobicContact CD2-CB 4.21Å; L853-M986 HydrophobicContact CD2-CE 3.63Å; L853-M986 HydrophobicContact CG-CE 4.33Å; M880-M986 HydrophobicContact CE-CE 3.9Å; L896-M986 HydrophobicContact CD2-CE 4.2Å; F982-M986 HydrophobicContact CD1-CG 4.35Å; F982-M986 HydrophobicContact CD1-SD 4.43Å; F982-M986 HydrophobicContact CD2-CG 4.4Å; F982-M986 HydrophobicContact CE1-CE 3.77Å; F982-M986 HydrophobicContact CE1-CG 3.94Å; F982-M986 HydrophobicContact CE1-SD 3.5Å; F982-M986 VanDerWaalsContact CE1-SD 3.5Å; F982-M986 HydrophobicContact CE2-CG 3.99Å; F982-M986 HydrophobicContact CE2-SD 4.07Å; F982-M986 HydrophobicContact CZ-CE 4.2Å; F982-M986 HydrophobicContact CZ-CG 3.76Å; F982-M986 HydrophobicContact CZ-SD 3.3Å; F982-M986 WeakPolarHBondContact CZ-SD 3.34Å; F982-M986 WeakPolarHBondContact O-CG 3.43Å; F982-M986 PolarHBondContact O-N 3.49Å; L983-M986 HydrophobicContact CD2-CE 4.19Å; L983-M986 PolarHBondContact O-N 3.37Å; M986-K988 PolarHBondContact O-N 3.07Å; M986-L989 WeakPolarHBondContact O-CB 3.46Å; M986-L989 PolarHBondContact O-N 3.18Å; M986-L989 VanDerWaalsContact O-N 3.08Å; M986-Y990 HydrophobicContact CB-CD2 4.36Å; M986-Y990 HydrophobicContact CB-CE2 4.46Å; M986-Y990 WeakPolarHBondContact O-CD2 3.45Å; M986-Y990 PolarHBondContact O-N 3.36Å; M986-Y990 VanDerWaalsContact O-N 3.14Å |
| 987 | A | 95.7 | Very high | 95 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55 | -55 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | F862 F863 L983 L989 Y990 F991 | F862-A987 HydrophobicContact CE2-CB 3.96Å; F862-A987 HydrophobicContact CZ-CB 4.02Å; F863-A987 HydrophobicContact CE2-CB 3.95Å; L983-A987 WeakPolarHBondContact O-CB 3.33Å; L983-A987 PolarHBondContact O-N 3.38Å; A987-L989 PolarHBondContact O-N 3.33Å; A987-L989 VanDerWaalsContact O-N 3.09Å; A987-Y990 PolarHBondContact O-N 3.01Å; A987-F991 HydrophobicContact CB-CE1 4.1Å; A987-F991 HydrophobicContact CB-CZ 4.02Å; A987-F991 PolarHBondContact O-N 3.47Å |
| 988 | K | 95.1 | Very high | 95 | Very high | 158 Ų | 158 | 56.9 Ų | 56.9 | 69% | 0.687 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -57.5 | -25.7 | 177 | -69.7 | 174.3 | -179.1 | -178.2 | 0 | 114.5 | Q984 A985 M986 | Q984-K988 WeakPolarHBondContact O-CG 3.38Å; Q984-K988 PolarHBondContact O-N 3.12Å; A985-K988 PolarHBondContact O-N 3.37Å; M986-K988 PolarHBondContact O-N 3.07Å |
| 989 | L | 93.6 | Very high | 94.9 | Very high | 105 Ų | 105 | 60.3 Ų | 60.3 | 55% | 0.55 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -77.6 | -34.4 | 178.4 | -177.7 | 64.9 | 0 | 0 | 0 | 111.9 | A985 M986 A987 | A985-L989 PolarHBondContact O-N 3.04Å; A985-L989 VanDerWaalsContact O-N 3.12Å; M986-L989 WeakPolarHBondContact O-CB 3.46Å; M986-L989 PolarHBondContact O-N 3.18Å; M986-L989 VanDerWaalsContact O-N 3.08Å; A987-L989 PolarHBondContact O-N 3.33Å; A987-L989 VanDerWaalsContact O-N 3.09Å |
| 990 | Y | 92.1 | Very high | 94.8 | Very high | 45 Ų | 45 | 59.5 Ų | 59.5 | 18% | 0.176 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -108.9 | -20.4 | -167.9 | -69.2 | -71.6 | 0 | 0 | 0 | 115 | L849 L853 M887 Q892 M986 A987 | L849-Y990 HydrophobicContact CD2-CD1 4.41Å; L849-Y990 HydrophobicContact CD2-CD2 3.92Å; L849-Y990 HydrophobicContact CD2-CE1 3.91Å; L849-Y990 HydrophobicContact CD2-CE2 3.38Å; L849-Y990 HydrophobicContact CD2-CG 4.44Å; L849-Y990 HydrophobicContact CG-CD2 4.37Å; L849-Y990 HydrophobicContact CG-CE2 4.28Å; L853-Y990 HydrophobicContact CD1-CD2 3.75Å; L853-Y990 HydrophobicContact CD1-CG 4.39Å; M887-Y990 HydrophobicContact CE-CE1 4.17Å; Q892-Y990 PolarHBondContact OE1-OH 3.21Å; M986-Y990 HydrophobicContact CB-CD2 4.36Å; M986-Y990 HydrophobicContact CB-CE2 4.46Å; M986-Y990 WeakPolarHBondContact O-CD2 3.45Å; M986-Y990 PolarHBondContact O-N 3.36Å; M986-Y990 VanDerWaalsContact O-N 3.14Å; A987-Y990 PolarHBondContact O-N 3.01Å |
| 991 | F | 87.2 | Confident | 94.7 | Very high | 111 Ų | 111 | 58.3 Ų | 58.3 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | trans | -163.8 | 0 | 173.9 | 65.3 | -80.1 | 0 | 0 | 0 | 111.9 | L853 Q854 A987 | L853-F991 HydrophobicContact CB-CD1 4.5Å; L853-F991 HydrophobicContact CB-CE1 3.5Å; L853-F991 HydrophobicContact CB-CZ 4.17Å; L853-F991 HydrophobicContact CD1-CE1 4.5Å; Q854-F991 HydrophobicContact CB-CZ 4.34Å; Q854-F991 HydrophobicContact CG-CD1 4.07Å; Q854-F991 HydrophobicContact CG-CD2 3.77Å; Q854-F991 HydrophobicContact CG-CE1 3.88Å; Q854-F991 HydrophobicContact CG-CE2 3.52Å; Q854-F991 HydrophobicContact CG-CG 4.03Å; Q854-F991 HydrophobicContact CG-CZ 3.58Å; A987-F991 HydrophobicContact CB-CE1 4.1Å; A987-F991 HydrophobicContact CB-CZ 4.02Å; A987-F991 PolarHBondContact O-N 3.47Å |
Retrieved 991 of 991 residues in 2663.1 ms
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