| 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 | 32.8 | Very low | 41.5 | Very low | 196 Ų | 196 | 125.6 Ų | 125.6 | 97% | 0.966 | 71% | 0.708 | S | S | * | * | 0 | 122.2 | 0 | -64.9 | 167.1 | 178.9 | 0 | 0 | 107.5 | N72 | M1-N72 HydrophobicContact CE-CB 4.37Š| |||
| 2 | A | 28.3 | Very low | 42.6 | Very low | 112 Ų | 112 | 124.1 Ų | 124.1 | 93% | 0.926 | 68% | 0.683 | S | S | * | * | trans | -135.4 | 20.6 | -172 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 3 | A | 34.6 | Very low | 43.2 | Very low | 86 Ų | 86 | 123.5 Ų | 123.5 | 71% | 0.711 | 69% | 0.689 | S | S | * | * | trans | -117 | -13 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | G5 | A3-G5 VanDerWaalsContact C-N 3.31Å; A3-G5 PolarHBondContact O-N 2.9Å | ||
| 4 | F | 39.7 | Very low | 43.9 | Very low | 201 Ų | 201 | 125.3 Ų | 125.3 | 88% | 0.882 | 70% | 0.695 | S | S | * | * | trans | -94.4 | 45.9 | -177.7 | -78.1 | -80.8 | 0 | 0 | 0 | 112.9 | ||||
| 5 | G | 37.5 | Very low | 44.1 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 78% | 0.784 | 71% | 0.708 | S | S | * | * | trans | -91.1 | -1.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | A3 | A3-G5 VanDerWaalsContact C-N 3.31Å; A3-G5 PolarHBondContact O-N 2.9Å | ||
| 6 | I | 38 | Very low | 44.4 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 70% | 0.703 | 72% | 0.716 | S | S | * | * | trans | -130.5 | 101.8 | -173.1 | -52.8 | 172.8 | 0 | 0 | 0 | 108.2 | ||||
| 7 | L | 41.5 | Very low | 44.8 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | trans | -170.4 | 71 | 158.4 | -107.4 | 164.6 | 0 | 0 | 0 | 109.6 | ||||
| 8 | S | 47.4 | Very low | 45.2 | Very low | 68 Ų | 68 | 139.8 Ų | 139.8 | 48% | 0.476 | 72% | 0.721 | S | S | . | * | trans | -135.1 | 121.8 | 160.2 | 174.9 | 0 | 0 | 0 | 0 | 106.6 | E10 H11 | S8-E10 PolarHBondContact O-N 3.28Å; S8-H11 PolarHBondContact O-N 3.46Å | ||
| 9 | Y | 50 | Low | 45.5 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 51% | 0.514 | 71% | 0.709 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.8 | -11.8 | -169.9 | -157.9 | -104.5 | 0 | 0 | 0 | 113.8 | N47 Q48 | Y9-N47 WeakPolarHBondContact CE1-OD1 3.45Å; Y9-N47 VanDerWaalsContact CZ-OD1 3.26Å; Y9-N47 PolarHBondContact OH-OD1 3.25Å; Y9-Q48 PolarHBondContact OH-O 3.12Å |
| 10 | E | 55.9 | Low | 46.1 | Very low | 55 Ų | 55 | 132.3 Ų | 132.3 | 26% | 0.257 | 69% | 0.692 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.9 | 9.3 | 177 | -63.4 | -160.1 | 144.7 | 0 | 0 | 114.8 | S8 R12 K32 | S8-E10 PolarHBondContact O-N 3.28Å; E10-R12 HydrophobicContact CB-CG 4.08Å; E10-R12 PolarHBondContact O-N 3.49Å; E10-R12 IonicContact OE1-NH2 3.29Å; E10-R12 IonicContact OE2-CZ 2.76Å; E10-R12 IonicContact OE2-NE 2.7Å; E10-R12 PolarHBondContact OE2-NE 3.49Å; E10-R12 IonicContact OE2-NH2 3.95Å; E10-R12 PolarHBondContact OE2-NH2 3.15Å; E10-K32 PolarHBondContact OE1-N 3.47Å |
| 11 | H | 51.5 | Low | 46.7 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 78% | 0.782 | 69% | 0.687 | S | S | * | * | trans | 55.2 | 15.4 | -178.9 | -77.3 | -84 | 0 | 0 | 0 | 116.1 | S8 | S8-H11 PolarHBondContact O-N 3.46Š| ||
| 12 | R | 54.5 | Low | 47.6 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 40% | 0.404 | 68% | 0.679 | S | S | . | * | trans | -74.4 | 129.8 | -178.5 | -58.5 | -166.7 | -162.4 | -153.3 | 4.5 | 111.7 | E10 D28 K30 | E10-R12 HydrophobicContact CB-CG 4.08Å; E10-R12 PolarHBondContact O-N 3.49Å; E10-R12 IonicContact OE1-NH2 3.29Å; E10-R12 IonicContact OE2-CZ 2.76Å; E10-R12 IonicContact OE2-NE 2.7Å; E10-R12 PolarHBondContact OE2-NE 3.49Å; E10-R12 IonicContact OE2-NH2 3.95Å; E10-R12 PolarHBondContact OE2-NH2 3.15Å; R12-D28 IonicContact CZ-OD2 3.73Å; R12-D28 IonicContact NH1-OD2 3.32Å; R12-D28 PolarHBondContact NH1-OD2 2.97Å; R12-K30 PolarHBondContact NH2-O 3.46Å | ||
| 13 | P | 49.6 | Very low | 48.9 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 76% | 0.76 | 67% | 0.673 | S | S | * | * | trans | -76.9 | 132.3 | 179.9 | 29.3 | -34.4 | 0 | 0 | 0 | 112.9 | K15 | P13-K15 PolarHBondContact O-N 3.32Š| ||
| 14 | L | 53.1 | Low | 50.1 | Low | 148 Ų | 148 | 128 Ų | 128 | 78% | 0.775 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -59.7 | -3.6 | -173.6 | -71.5 | 164.1 | 0 | 0 | 0 | 117.1 | R16 L19 | L14-R16 PolarHBondContact O-N 3.24Å; L14-L19 HydrophobicContact CD2-CD1 3.79Å |
| 15 | K | 46.6 | Very low | 51.3 | Low | 205 Ų | 205 | 127.1 Ų | 127.1 | 89% | 0.891 | 65% | 0.652 | S | S | * | * | trans | -91.1 | 50.7 | -171.4 | -77.3 | -174.4 | 171.1 | 178.5 | 0 | 114.6 | P13 | P13-K15 PolarHBondContact O-N 3.32Š| ||
| 16 | R | 49.4 | Very low | 52.6 | Low | 221 Ų | 221 | 127 Ų | 127 | 83% | 0.834 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -140 | 143.8 | 171.8 | -77.8 | -171.5 | 172.3 | 166.3 | -0.6 | 114.6 | L14 R18 | L14-R16 PolarHBondContact O-N 3.24Å; R16-R18 PolarHBondContact O-N 3.31Å |
| 17 | L | 50.8 | Low | 54 | Low | 178 Ų | 178 | 127.3 Ų | 127.3 | 93% | 0.932 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 41.6 | -175.9 | -72 | 136.3 | 0 | 0 | 0 | 115.5 | ||
| 18 | R | 51.7 | Low | 55.1 | Low | 158 Ų | 158 | 122.8 Ų | 122.8 | 60% | 0.596 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144 | -6.1 | -177.8 | -103 | -167.8 | -178.4 | -172.1 | 1.4 | 117.3 | R16 | R16-R18 PolarHBondContact O-N 3.31Š|
| 19 | L | 51.5 | Low | 56 | Low | 93 Ų | 93 | 125 Ų | 125 | 49% | 0.487 | 63% | 0.626 | S | S | . | * | trans | -66.9 | 150.4 | 161.5 | -70.1 | 166.5 | 0 | 0 | 0 | 109.2 | L14 Y25 | L14-L19 HydrophobicContact CD2-CD1 3.79Å; L19-Y25 HydrophobicContact CD2-CD1 4.04Å; L19-Y25 HydrophobicContact CD2-CE1 4.34Å | ||
| 20 | G | 58.8 | Low | 56.9 | Low | 36 Ų | 36 | 126.2 Ų | 126.2 | 37% | 0.371 | 63% | 0.634 | S | S | . | * | trans | -77.7 | -158.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V24 | G20-V24 WeakPolarHBondContact CA-O 3.36Å; G20-V24 PolarHBondContact N-O 3.01Å | ||
| 21 | P | 56.8 | Low | 57.8 | Low | 90 Ų | 90 | 125.3 Ų | 125.3 | 58% | 0.584 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -50.1 | 161.9 | 154.9 | -24.1 | 33.6 | 0 | 0 | 0 | 112.2 | V24 | P21-V24 HydrophobicContact CB-CB 4.34Å; P21-V24 HydrophobicContact CB-CG2 3.99Å; P21-V24 HydrophobicContact CG-CB 4.46Å; P21-V24 HydrophobicContact CG-CG2 4.2Å; P21-V24 WeakPolarHBondContact O-CB 3.41Å; P21-V24 PolarHBondContact O-N 3Å |
| 22 | P | 53.3 | Low | 58.6 | Low | 123 Ų | 123 | 122.1 Ų | 122.1 | 80% | 0.799 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.8 | 144.1 | 163.8 | -25.2 | 35.5 | 0 | 0 | 0 | 111.4 | V24 | P22-V24 PolarHBondContact O-N 3.11Å; P22-V24 VanDerWaalsContact O-N 3.16Å |
| 23 | D | 55.6 | Low | 59.4 | Low | 150 Ų | 150 | 121.6 Ų | 121.6 | 80% | 0.802 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.4 | 11.8 | -170.2 | -63.3 | -24.7 | 0 | 0 | 0 | 116.8 | ||
| 24 | V | 58.4 | Low | 60.6 | Low | 73 Ų | 73 | 119.3 Ų | 119.3 | 44% | 0.442 | 60% | 0.597 | S | S | . | * | trans | -116 | 96.7 | 174.3 | -174.6 | 0 | 0 | 0 | 0 | 111 | G20 P21 P22 P26 | G20-V24 WeakPolarHBondContact CA-O 3.36Å; G20-V24 PolarHBondContact N-O 3.01Å; P21-V24 HydrophobicContact CB-CB 4.34Å; P21-V24 HydrophobicContact CB-CG2 3.99Å; P21-V24 HydrophobicContact CG-CB 4.46Å; P21-V24 HydrophobicContact CG-CG2 4.2Å; P21-V24 WeakPolarHBondContact O-CB 3.41Å; P21-V24 PolarHBondContact O-N 3Å; P22-V24 PolarHBondContact O-N 3.11Å; P22-V24 VanDerWaalsContact O-N 3.16Å; V24-P26 WeakPolarHBondContact O-CD 3.49Å | ||
| 25 | Y | 66 | Low | 61.5 | Low | 183 Ų | 183 | 117.3 Ų | 117.3 | 72% | 0.718 | 58% | 0.584 | S | S | * | * | trans | -98 | 98.2 | 173.8 | -59.8 | -83.4 | 0 | 0 | 0 | 109.7 | L19 | L19-Y25 HydrophobicContact CD2-CD1 4.04Å; L19-Y25 HydrophobicContact CD2-CE1 4.34Å | ||
| 26 | P | 64.9 | Low | 62.8 | Low | 73 Ų | 73 | 114.6 Ų | 114.6 | 47% | 0.474 | 58% | 0.578 | S | S | . | * | trans | -71.3 | 134.5 | 176.1 | 29.7 | -34.4 | 0 | 0 | 0 | 110.6 | V24 D28 | V24-P26 WeakPolarHBondContact O-CD 3.49Å; P26-D28 PolarHBondContact O-N 2.74Å | ||
| 27 | Q | 65.9 | Low | 64 | Low | 144 Ų | 144 | 107.1 Ų | 107.1 | 67% | 0.673 | 56% | 0.557 | S | S | * | * | trans | -57.7 | 131.4 | -178.7 | -157.8 | 178.7 | 5.7 | 0 | 0 | 111.5 | Q31 | Q27-Q31 VanDerWaalsContact CA-OE1 3.24Å; Q27-Q31 VanDerWaalsContact CG-OE1 3.27Å | ||
| 28 | D | 66.1 | Low | 65.3 | Low | 57 Ų | 57 | 102.5 Ų | 102.5 | 31% | 0.305 | 54% | 0.544 | S | S | . | . | trans | -115.3 | 126.4 | 179.1 | -174.1 | 36.2 | 0 | 0 | 0 | 107.4 | R12 P26 K30 Q31 | R12-D28 IonicContact CZ-OD2 3.73Å; R12-D28 IonicContact NH1-OD2 3.32Å; R12-D28 PolarHBondContact NH1-OD2 2.97Å; P26-D28 PolarHBondContact O-N 2.74Å; D28-K30 PolarHBondContact O-N 3.09Å; D28-Q31 PolarHBondContact O-N 3.18Å; D28-Q31 PolarHBondContact O-OE1 3.1Å | ||
| 29 | P | 66.3 | Low | 66.5 | Low | 115 Ų | 115 | 100 Ų | 100 | 75% | 0.747 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -73.7 | 44.6 | -173.9 | 31.5 | -38.4 | 0 | 0 | 0 | 113.8 | ||
| 30 | K | 68.4 | Low | 67.8 | Low | 155 Ų | 155 | 97.6 Ų | 97.6 | 67% | 0.674 | 53% | 0.53 | S | S | * | . | trans | -155.5 | 38.9 | 175.3 | -66.3 | -160.1 | 173.1 | -153.5 | 0 | 109.2 | R12 D28 | R12-K30 PolarHBondContact NH2-O 3.46Å; D28-K30 PolarHBondContact O-N 3.09Å | ||
| 31 | Q | 74.2 | Confident | 68.6 | Low | 36 Ų | 36 | 100.5 Ų | 100.5 | 17% | 0.168 | 54% | 0.541 | C | S | . | . | trans | -86.9 | 150 | 167.4 | -80.9 | 168.4 | -120.7 | 0 | 0 | 109.5 | Q27 D28 E33 D34 E35 | Q27-Q31 VanDerWaalsContact CA-OE1 3.24Å; Q27-Q31 VanDerWaalsContact CG-OE1 3.27Å; D28-Q31 PolarHBondContact O-N 3.18Å; D28-Q31 PolarHBondContact O-OE1 3.1Å; Q31-E33 HydrophobicContact CB-CG 3.91Å; Q31-E33 WeakPolarHBondContact CB-OE2 3.5Å; Q31-E33 PolarHBondContact NE2-OE1 3.3Å; Q31-E33 PolarHBondContact NE2-OE2 3.44Å; Q31-E33 PolarHBondContact O-N 3.47Å; Q31-E33 VanDerWaalsContact O-N 3.17Å; Q31-D34 PolarHBondContact O-N 3.15Å; Q31-E35 PolarHBondContact O-N 3.06Å | ||
| 32 | K | 68.7 | Low | 69.7 | Low | 103 Ų | 103 | 105.1 Ų | 105.1 | 45% | 0.448 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62 | -22 | -179.9 | -73.3 | -177.1 | 173.3 | 179.8 | 0 | 114.4 | E10 F45 | E10-K32 PolarHBondContact OE1-N 3.47Å; K32-F45 HydrophobicContact CB-CE2 3.93Å; K32-F45 HydrophobicContact CB-CZ 4.23Å |
| 33 | E | 72.3 | Confident | 70.9 | Confident | 95 Ų | 95 | 106.4 Ų | 106.4 | 44% | 0.444 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -30.6 | 173 | 67.8 | -138.3 | -119.8 | 0 | 0 | 113 | Q31 F45 | Q31-E33 HydrophobicContact CB-CG 3.91Å; Q31-E33 WeakPolarHBondContact CB-OE2 3.5Å; Q31-E33 PolarHBondContact NE2-OE1 3.3Å; Q31-E33 PolarHBondContact NE2-OE2 3.44Å; Q31-E33 PolarHBondContact O-N 3.47Å; Q31-E33 VanDerWaalsContact O-N 3.17Å; E33-F45 HydrophobicContact CB-CD1 4.15Å; E33-F45 HydrophobicContact CB-CE1 4.17Å; E33-F45 HydrophobicContact CB-CG 4.38Å; E33-F45 HydrophobicContact CB-CZ 4.43Å |
| 34 | D | 73.9 | Confident | 71.9 | Confident | 69 Ų | 69 | 101.3 Ų | 101.3 | 37% | 0.369 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -12.9 | 177.6 | -61.2 | -44.7 | 0 | 0 | 0 | 112.4 | Q31 L36 | Q31-D34 PolarHBondContact O-N 3.15Å; D34-L36 PolarHBondContact O-N 3.32Å |
| 35 | E | 71.4 | Confident | 72.9 | Confident | 106 Ų | 106 | 102.1 Ų | 102.1 | 50% | 0.495 | 53% | 0.527 | S | S | . | . | trans | -75.2 | 90.3 | 178.5 | -68.1 | -171 | 154.8 | 0 | 0 | 110.2 | Q31 T37 N40 | Q31-E35 PolarHBondContact O-N 3.06Å; E35-T37 HydrophobicContact CB-CG2 4.44Å; E35-T37 PolarHBondContact O-N 3.12Å; E35-N40 PolarHBondContact O-ND2 2.71Å | ||
| 36 | L | 73.9 | Confident | 73.2 | Confident | 148 Ų | 148 | 99.5 Ų | 99.5 | 78% | 0.775 | 53% | 0.526 | S | S | * | . | trans | -67 | 54.7 | 177.4 | -62.4 | 174.7 | 0 | 0 | 0 | 113.4 | D34 V41 | D34-L36 PolarHBondContact O-N 3.32Å; L36-V41 HydrophobicContact CB-CG2 4.02Å; L36-V41 HydrophobicContact CD2-CG2 4.01Å | ||
| 37 | T | 74.9 | Confident | 73.4 | Confident | 64 Ų | 64 | 100.7 Ų | 100.7 | 39% | 0.393 | 53% | 0.528 | S | S | . | . | trans | -66.3 | 151.1 | 171 | 70.3 | 0 | 0 | 0 | 0 | 110.4 | E35 L39 N40 V41 | E35-T37 HydrophobicContact CB-CG2 4.44Å; E35-T37 PolarHBondContact O-N 3.12Å; T37-L39 PolarHBondContact O-N 3.12Å; T37-N40 PolarHBondContact O-N 3.49Å; T37-N40 VanDerWaalsContact O-N 3.11Å; T37-N40 PolarHBondContact OG1-N 2.98Å; T37-N40 PolarHBondContact OG1-ND2 2.97Å; T37-V41 WeakPolarHBondContact O-CG2 3.35Å; T37-V41 PolarHBondContact O-N 3.17Å | ||
| 38 | A | 78.8 | Confident | 73.4 | Confident | 81 Ų | 81 | 100.3 Ų | 100.3 | 67% | 0.669 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -14.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K42 | A38-K42 WeakPolarHBondContact O-CB 3.21Å; A38-K42 WeakPolarHBondContact O-CG 3.44Å |
| 39 | L | 75.8 | Confident | 73.2 | Confident | 107 Ų | 107 | 101.6 Ų | 101.6 | 56% | 0.56 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -56.7 | 170.7 | -164.9 | 78.2 | 0 | 0 | 0 | 110.5 | T37 V41 K42 Q43 | T37-L39 PolarHBondContact O-N 3.12Å; L39-V41 VanDerWaalsContact C-N 3.26Å; L39-V41 PolarHBondContact O-N 3.05Å; L39-K42 PolarHBondContact O-N 2.89Å; L39-Q43 PolarHBondContact O-N 2.94Å |
| 40 | N | 78.5 | Confident | 73.1 | Confident | 41 Ų | 41 | 99.5 Ų | 99.5 | 22% | 0.219 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -56.6 | -39.4 | -179.4 | -65.7 | -9.2 | 0 | 0 | 0 | 112.1 | E35 T37 K42 G44 | E35-N40 PolarHBondContact O-ND2 2.71Å; T37-N40 PolarHBondContact O-N 3.49Å; T37-N40 VanDerWaalsContact O-N 3.11Å; T37-N40 PolarHBondContact OG1-N 2.98Å; T37-N40 PolarHBondContact OG1-ND2 2.97Å; N40-K42 VanDerWaalsContact C-N 3.35Å; N40-K42 PolarHBondContact O-N 3.43Å; N40-G44 CarbonylContact O-C 3.56Å; N40-G44 WeakPolarHBondContact O-CA 3.47Å; N40-G44 PolarHBondContact O-N 2.7Å |
| 41 | V | 77.1 | Confident | 72.8 | Confident | 98 Ų | 98 | 96.9 Ų | 96.9 | 59% | 0.594 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.3 | -27.8 | 178.4 | 176.4 | 0 | 0 | 0 | 0 | 112.8 | L36 T37 L39 | L36-V41 HydrophobicContact CB-CG2 4.02Å; L36-V41 HydrophobicContact CD2-CG2 4.01Å; T37-V41 WeakPolarHBondContact O-CG2 3.35Å; T37-V41 PolarHBondContact O-N 3.17Å; L39-V41 VanDerWaalsContact C-N 3.26Å; L39-V41 PolarHBondContact O-N 3.05Å |
| 42 | K | 80.1 | Confident | 72 | Confident | 186 Ų | 186 | 101.3 Ų | 101.3 | 81% | 0.809 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -92.7 | -27.9 | -179.2 | -77.3 | -173.2 | 175.9 | -173.8 | 0 | 114.5 | A38 L39 N40 | A38-K42 WeakPolarHBondContact O-CB 3.21Å; A38-K42 WeakPolarHBondContact O-CG 3.44Å; L39-K42 PolarHBondContact O-N 2.89Å; N40-K42 VanDerWaalsContact C-N 3.35Å; N40-K42 PolarHBondContact O-N 3.43Å |
| 43 | Q | 78.2 | Confident | 71.6 | Confident | 151 Ų | 151 | 100.2 Ų | 100.2 | 71% | 0.706 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -116.1 | -8.2 | -172.5 | -64.4 | -177.4 | -19.5 | 0 | 0 | 113.4 | L39 | L39-Q43 PolarHBondContact O-N 2.94Å |
| 44 | G | 76.2 | Confident | 71.1 | Confident | 42 Ų | 42 | 100.9 Ų | 100.9 | 43% | 0.433 | 59% | 0.586 | S | S | . | * | trans | 78.5 | 158.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N40 N46 | N40-G44 CarbonylContact O-C 3.56Å; N40-G44 WeakPolarHBondContact O-CA 3.47Å; N40-G44 PolarHBondContact O-N 2.7Å; G44-N46 PolarHBondContact O-N 3Å | ||
| 45 | F | 79.4 | Confident | 70.7 | Confident | 91 Ų | 91 | 103.6 Ų | 103.6 | 40% | 0.399 | 60% | 0.597 | S | S | . | * | trans | -79.5 | 117.5 | 171.2 | -179.5 | -100.8 | 0 | 0 | 0 | 109.4 | K32 E33 N47 | K32-F45 HydrophobicContact CB-CE2 3.93Å; K32-F45 HydrophobicContact CB-CZ 4.23Å; E33-F45 HydrophobicContact CB-CD1 4.15Å; E33-F45 HydrophobicContact CB-CE1 4.17Å; E33-F45 HydrophobicContact CB-CG 4.38Å; E33-F45 HydrophobicContact CB-CZ 4.43Å; F45-N47 HydrophobicContact CE1-CB 4.14Å | ||
| 46 | N | 72.6 | Confident | 70.5 | Confident | 128 Ų | 128 | 106.3 Ų | 106.3 | 68% | 0.684 | 61% | 0.609 | S | S | * | * | trans | -107.8 | 126.8 | -179 | -170.7 | -7 | 0 | 0 | 0 | 110.5 | G44 | G44-N46 PolarHBondContact O-N 3Š| ||
| 47 | N | 67.8 | Low | 70.2 | Confident | 98 Ų | 98 | 101.3 Ų | 101.3 | 52% | 0.524 | 59% | 0.593 | S | S | . | * | trans | -117.8 | 99.9 | -175.3 | -171.8 | 31.2 | 0 | 0 | 0 | 110.4 | Y9 F45 | Y9-N47 WeakPolarHBondContact CE1-OD1 3.45Å; Y9-N47 VanDerWaalsContact CZ-OD1 3.26Å; Y9-N47 PolarHBondContact OH-OD1 3.25Å; F45-N47 HydrophobicContact CE1-CB 4.14Å | ||
| 48 | Q | 67.6 | Low | 69.7 | Low | 136 Ų | 136 | 102.9 Ų | 102.9 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | trans | -83.6 | 132.3 | 179.5 | -70.7 | -175.5 | -21.6 | 0 | 0 | 111.3 | Y9 | Y9-Q48 PolarHBondContact OH-O 3.12Š| ||
| 49 | P | 61.5 | Low | 69.2 | Low | 83 Ų | 83 | 102 Ų | 102 | 54% | 0.539 | 60% | 0.599 | S | S | . | * | trans | -65.4 | 140.1 | 175.5 | 25.9 | -31.8 | 0 | 0 | 0 | 111 | V51 E55 | P49-V51 PolarHBondContact O-N 2.71Å; P49-E55 VanDerWaalsContact CG-OE2 3.27Å; P49-E55 WeakPolarHBondContact CG-OE2 3.32Å | ||
| 50 | A | 63.3 | Low | 68.6 | Low | 72 Ų | 72 | 105.5 Ų | 105.5 | 60% | 0.595 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -75.5 | 15.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 51 | V | 62 | Low | 68.1 | Low | 99 Ų | 99 | 111.3 Ų | 111.3 | 60% | 0.6 | 64% | 0.641 | S | S | * | * | trans | -117.2 | 86.3 | -176.9 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | P49 G53 | P49-V51 PolarHBondContact O-N 2.71Å; V51-G53 PolarHBondContact O-N 3.46Å | ||
| 52 | S | 57.2 | Low | 67.6 | Low | 130 Ų | 130 | 110.6 Ų | 110.6 | 91% | 0.909 | 64% | 0.637 | S | S | * | * | trans | -74.6 | 92.6 | -179.9 | -49.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 53 | G | 60.2 | Low | 66.6 | Low | 79 Ų | 79 | 109.6 Ų | 109.6 | 81% | 0.814 | 64% | 0.64 | S | S | * | * | S | Bend | trans | 151.7 | -32.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | V51 | V51-G53 PolarHBondContact O-N 3.46Š|
| 54 | D | 62.9 | Low | 65.8 | Low | 110 Ų | 110 | 108.7 Ų | 108.7 | 59% | 0.588 | 63% | 0.634 | S | S | * | * | trans | -157.6 | 80.7 | -176.7 | -166.5 | 3.4 | 0 | 0 | 0 | 112.5 | H56 G57 | D54-H56 VanDerWaalsContact C-N 3.28Å; D54-H56 PolarHBondContact OD1-N 2.74Å; D54-G57 VanDerWaalsContact OD1-CA 3.23Å; D54-G57 WeakPolarHBondContact OD1-CA 3.5Å; D54-G57 PolarHBondContact OD1-N 2.8Å; D54-G57 WeakPolarHBondContact OD2-CA 3.47Å | ||
| 55 | E | 64.2 | Low | 65.9 | Low | 126 Ų | 126 | 111 Ų | 111 | 59% | 0.589 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -84.7 | 4 | 176.2 | 60.3 | 164.5 | -128.2 | 0 | 0 | 114 | P49 | P49-E55 VanDerWaalsContact CG-OE2 3.27Å; P49-E55 WeakPolarHBondContact CG-OE2 3.32Å |
| 56 | H | 69.2 | Low | 65.6 | Low | 163 Ų | 163 | 111.3 Ų | 111.3 | 76% | 0.755 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -124.5 | -6.5 | -179.2 | -62 | -10.9 | 0 | 0 | 0 | 113.3 | D54 | D54-H56 VanDerWaalsContact C-N 3.28Å; D54-H56 PolarHBondContact OD1-N 2.74Å |
| 57 | G | 66.1 | Low | 65.7 | Low | 42 Ų | 42 | 108.7 Ų | 108.7 | 43% | 0.433 | 64% | 0.643 | S | S | . | * | trans | -69.1 | 133.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D54 | D54-G57 VanDerWaalsContact OD1-CA 3.23Å; D54-G57 WeakPolarHBondContact OD1-CA 3.5Å; D54-G57 PolarHBondContact OD1-N 2.8Å; D54-G57 WeakPolarHBondContact OD2-CA 3.47Å | ||
| 58 | S | 65.3 | Low | 66.1 | Low | 98 Ų | 98 | 110.9 Ų | 110.9 | 69% | 0.685 | 65% | 0.649 | S | S | * | * | trans | -81.3 | 120.5 | 169.9 | -171.5 | 0 | 0 | 0 | 0 | 110.2 | K60 | S58-K60 PolarHBondContact O-N 3.47Š| ||
| 59 | A | 68.2 | Low | 66.6 | Low | 61 Ų | 61 | 108.9 Ų | 108.9 | 50% | 0.504 | 64% | 0.641 | S | S | . | * | G | 310 helix | trans | -67.6 | 25.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | N61 V62 | A59-N61 PolarHBondContact O-N 3Å; A59-N61 VanDerWaalsContact O-N 3.16Å; A59-V62 HydrophobicContact CB-CG2 4.03Å; A59-V62 WeakPolarHBondContact O-CB 3.43Å; A59-V62 PolarHBondContact O-N 3.17Å |
| 60 | K | 63.8 | Low | 67.3 | Low | 182 Ų | 182 | 108.3 Ų | 108.3 | 79% | 0.791 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -59.4 | -25.4 | -175.1 | -128.2 | 178.2 | -177.5 | -179.3 | 0 | 114.1 | S58 | S58-K60 PolarHBondContact O-N 3.47Š|
| 61 | N | 68 | Low | 68 | Low | 163 Ų | 163 | 108.1 Ų | 108.1 | 87% | 0.872 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -92.6 | 0.2 | 179.2 | -63.7 | -11.6 | 0 | 0 | 0 | 113.2 | A59 N63 | A59-N61 PolarHBondContact O-N 3Å; A59-N61 VanDerWaalsContact O-N 3.16Å; N61-N63 PolarHBondContact O-N 3.19Å |
| 62 | V | 66.5 | Low | 68.9 | Low | 83 Ų | 83 | 106 Ų | 106 | 50% | 0.503 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -80.9 | 118.4 | 175.1 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | A59 F64 | A59-V62 HydrophobicContact CB-CG2 4.03Å; A59-V62 WeakPolarHBondContact O-CB 3.43Å; A59-V62 PolarHBondContact O-N 3.17Å; V62-F64 HydrophobicContact CB-CD2 4.41Å; V62-F64 HydrophobicContact CB-CE2 3.81Å; V62-F64 HydrophobicContact CB-CZ 4.1Å; V62-F64 HydrophobicContact CG1-CD2 4.43Å; V62-F64 HydrophobicContact CG1-CE1 4.23Å; V62-F64 HydrophobicContact CG1-CE2 3.94Å; V62-F64 HydrophobicContact CG1-CZ 3.83Å; V62-F64 WeakPolarHBondContact O-CD2 3.5Å; V62-F64 PolarHBondContact O-N 2.82Å |
| 63 | N | 58.8 | Low | 69.9 | Low | 165 Ų | 165 | 106 Ų | 106 | 88% | 0.882 | 60% | 0.603 | S | S | * | * | trans | -80.8 | 84.1 | -169.2 | -159.3 | -0.8 | 0 | 0 | 0 | 112.2 | N61 | N61-N63 PolarHBondContact O-N 3.19Š| ||
| 64 | F | 62.1 | Low | 70.7 | Confident | 131 Ų | 131 | 105.6 Ų | 105.6 | 58% | 0.575 | 59% | 0.587 | S | S | * | * | trans | -73.8 | 130.1 | 180 | -65.8 | -79.4 | 0 | 0 | 0 | 112.4 | V62 P66 I69 | V62-F64 HydrophobicContact CB-CD2 4.41Å; V62-F64 HydrophobicContact CB-CE2 3.81Å; V62-F64 HydrophobicContact CB-CZ 4.1Å; V62-F64 HydrophobicContact CG1-CD2 4.43Å; V62-F64 HydrophobicContact CG1-CE1 4.23Å; V62-F64 HydrophobicContact CG1-CE2 3.94Å; V62-F64 HydrophobicContact CG1-CZ 3.83Å; V62-F64 WeakPolarHBondContact O-CD2 3.5Å; V62-F64 PolarHBondContact O-N 2.82Å; F64-P66 VanDerWaalsContact O-CD 3.25Å; F64-P66 WeakPolarHBondContact O-CD 3.36Å; F64-I69 HydrophobicContact CB-CD1 4.17Å; F64-I69 HydrophobicContact CD1-CD1 4.11Å | ||
| 65 | N | 76.6 | Confident | 71.5 | Confident | 91 Ų | 91 | 103.6 Ų | 103.6 | 49% | 0.487 | 58% | 0.582 | S | S | . | * | trans | -94.1 | 103.9 | 170.7 | -178 | -43.1 | 0 | 0 | 0 | 110 | A67 K68 I69 | N65-A67 VanDerWaalsContact C-N 3.34Å; N65-A67 PolarHBondContact O-N 3.49Å; N65-A67 PolarHBondContact OD1-N 2.95Å; N65-A67 VanDerWaalsContact OD1-N 3.16Å; N65-K68 HydrophobicContact CB-CB 4.01Å; N65-K68 PolarHBondContact O-N 3.14Å; N65-K68 PolarHBondContact OD1-N 3.24Å; N65-I69 WeakPolarHBondContact O-CG1 3.21Å; N65-I69 PolarHBondContact O-N 2.76Å | ||
| 66 | P | 74.1 | Confident | 72 | Confident | 98 Ų | 98 | 102.6 Ų | 102.6 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.4 | -31.8 | -174.8 | 25.6 | -34.6 | 0 | 0 | 0 | 113.2 | F64 I69 S70 | F64-P66 VanDerWaalsContact O-CD 3.25Å; F64-P66 WeakPolarHBondContact O-CD 3.36Å; P66-I69 PolarHBondContact O-N 3.02Å; P66-S70 WeakPolarHBondContact O-CB 3.37Å; P66-S70 PolarHBondContact O-N 3.35Å |
| 67 | A | 74.2 | Confident | 72.2 | Confident | 72 Ų | 72 | 98 Ų | 98 | 60% | 0.595 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.5 | -39.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N65 S70 S71 | N65-A67 VanDerWaalsContact C-N 3.34Å; N65-A67 PolarHBondContact O-N 3.49Å; N65-A67 PolarHBondContact OD1-N 2.95Å; N65-A67 VanDerWaalsContact OD1-N 3.16Å; A67-S70 PolarHBondContact O-N 3.22Å; A67-S71 VanDerWaalsContact O-CB 3.31Å; A67-S71 WeakPolarHBondContact O-CB 3.49Å; A67-S71 PolarHBondContact O-N 3.25Å |
| 68 | K | 76.5 | Confident | 72.5 | Confident | 145 Ų | 145 | 98.7 Ų | 98.7 | 63% | 0.63 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.6 | -35.1 | 175.5 | -162 | 169.6 | -173.3 | 173.3 | 0 | 111.9 | N65 N72 | N65-K68 HydrophobicContact CB-CB 4.01Å; N65-K68 PolarHBondContact O-N 3.14Å; N65-K68 PolarHBondContact OD1-N 3.24Å; K68-N72 PolarHBondContact O-N 3.12Å; K68-N72 VanDerWaalsContact O-N 3.16Å; K68-N72 PolarHBondContact O-ND2 3.35Å |
| 69 | I | 78.5 | Confident | 72.9 | Confident | 93 Ų | 93 | 98.4 Ų | 98.4 | 48% | 0.477 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.8 | -50 | 172.7 | -65.8 | 167.8 | 0 | 0 | 0 | 110.2 | F64 N65 P66 S71 N72 F73 | F64-I69 HydrophobicContact CB-CD1 4.17Å; F64-I69 HydrophobicContact CD1-CD1 4.11Å; N65-I69 WeakPolarHBondContact O-CG1 3.21Å; N65-I69 PolarHBondContact O-N 2.76Å; P66-I69 PolarHBondContact O-N 3.02Å; I69-S71 PolarHBondContact O-N 3.19Å; I69-N72 PolarHBondContact O-N 3.13Å; I69-F73 WeakPolarHBondContact O-CB 3.44Å; I69-F73 PolarHBondContact O-N 3.2Å |
| 70 | S | 74.8 | Confident | 72.8 | Confident | 71 Ų | 71 | 102 Ų | 102 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -57.7 | -45.7 | 177.8 | 179.6 | 0 | 0 | 0 | 0 | 112 | P66 A67 N72 F73 S74 | P66-S70 WeakPolarHBondContact O-CB 3.37Å; P66-S70 PolarHBondContact O-N 3.35Å; A67-S70 PolarHBondContact O-N 3.22Å; S70-N72 PolarHBondContact O-N 3.39Å; S70-F73 PolarHBondContact O-N 3.07Å; S70-F73 VanDerWaalsContact O-N 3.15Å; S70-S74 PolarHBondContact O-N 3.06Å; S70-S74 PolarHBondContact O-OG 3.42Å |
| 71 | S | 79.5 | Confident | 72.8 | Confident | 69 Ų | 69 | 97.3 Ų | 97.3 | 48% | 0.483 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -57.6 | -45.5 | 174.5 | 169.1 | 0 | 0 | 0 | 0 | 113.2 | A67 I69 S75 | A67-S71 VanDerWaalsContact O-CB 3.31Å; A67-S71 WeakPolarHBondContact O-CB 3.49Å; A67-S71 PolarHBondContact O-N 3.25Å; I69-S71 PolarHBondContact O-N 3.19Å; S71-S75 WeakPolarHBondContact O-CB 3.49Å; S71-S75 PolarHBondContact O-N 3.14Å; S71-S75 PolarHBondContact O-OG 2.7Å |
| 72 | N | 80 | Confident | 72.9 | Confident | 54 Ų | 54 | 96.6 Ų | 96.6 | 29% | 0.289 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | 175.6 | -79.6 | -86.7 | 0 | 0 | 0 | 111.5 | M1 K68 I69 S70 S75 I76 | M1-N72 HydrophobicContact CE-CB 4.37Å; K68-N72 PolarHBondContact O-N 3.12Å; K68-N72 VanDerWaalsContact O-N 3.16Å; K68-N72 PolarHBondContact O-ND2 3.35Å; I69-N72 PolarHBondContact O-N 3.13Å; S70-N72 PolarHBondContact O-N 3.39Å; N72-S75 WeakPolarHBondContact O-CB 3.45Å; N72-S75 PolarHBondContact O-N 3.09Å; N72-I76 VanDerWaalsContact O-CG1 3.31Å; N72-I76 WeakPolarHBondContact O-CG1 3.48Å; N72-I76 PolarHBondContact O-N 3.38Å |
| 73 | F | 78.1 | Confident | 72.5 | Confident | 131 Ų | 131 | 96.7 Ų | 96.7 | 58% | 0.575 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.2 | -45.9 | 178.1 | -164.9 | -92.2 | 0 | 0 | 0 | 111.7 | I69 S70 S75 I76 I77 | I69-F73 WeakPolarHBondContact O-CB 3.44Å; I69-F73 PolarHBondContact O-N 3.2Å; S70-F73 PolarHBondContact O-N 3.07Å; S70-F73 VanDerWaalsContact O-N 3.15Å; F73-S75 VanDerWaalsContact C-N 3.28Å; F73-S75 PolarHBondContact O-N 2.76Å; F73-I76 PolarHBondContact O-N 3.01Å; F73-I76 VanDerWaalsContact O-N 3.12Å; F73-I77 HydrophobicContact CD1-CG1 3.92Å; F73-I77 HydrophobicContact CE1-CD1 4.01Å; F73-I77 HydrophobicContact CE1-CG1 3.76Å; F73-I77 HydrophobicContact CZ-CD1 4.42Å; F73-I77 WeakPolarHBondContact O-CG1 3.47Å; F73-I77 PolarHBondContact O-N 2.77Å |
| 74 | S | 78.1 | Confident | 72.2 | Confident | 70 Ų | 70 | 94.7 Ų | 94.7 | 49% | 0.49 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.8 | -38.7 | 171.6 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | S70 I76 I77 A78 | S70-S74 PolarHBondContact O-N 3.06Å; S70-S74 PolarHBondContact O-OG 3.42Å; S74-I76 PolarHBondContact O-N 3.15Å; S74-I77 PolarHBondContact O-N 3.08Å; S74-A78 VanDerWaalsContact O-CB 3.26Å; S74-A78 WeakPolarHBondContact O-CB 3.39Å; S74-A78 PolarHBondContact O-N 3.32Å |
| 75 | S | 78.9 | Confident | 71.3 | Confident | 67 Ų | 67 | 91.8 Ų | 91.8 | 47% | 0.469 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 174.6 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | S71 N72 F73 E79 | S71-S75 WeakPolarHBondContact O-CB 3.49Å; S71-S75 PolarHBondContact O-N 3.14Å; S71-S75 PolarHBondContact O-OG 2.7Å; N72-S75 WeakPolarHBondContact O-CB 3.45Å; N72-S75 PolarHBondContact O-N 3.09Å; F73-S75 VanDerWaalsContact C-N 3.28Å; F73-S75 PolarHBondContact O-N 2.76Å; S75-E79 VanDerWaalsContact O-CB 3.25Å; S75-E79 WeakPolarHBondContact O-CB 3.47Å; S75-E79 PolarHBondContact O-N 3.49Å |
| 76 | I | 75.3 | Confident | 69.7 | Low | 106 Ų | 106 | 94 Ų | 94 | 54% | 0.544 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.5 | -39.1 | 175.3 | -69.3 | 162.8 | 0 | 0 | 0 | 111.2 | N72 F73 S74 K80 | N72-I76 VanDerWaalsContact O-CG1 3.31Å; N72-I76 WeakPolarHBondContact O-CG1 3.48Å; N72-I76 PolarHBondContact O-N 3.38Å; F73-I76 PolarHBondContact O-N 3.01Å; F73-I76 VanDerWaalsContact O-N 3.12Å; S74-I76 PolarHBondContact O-N 3.15Å; I76-K80 WeakPolarHBondContact O-CB 3.34Å; I76-K80 PolarHBondContact O-N 2.98Å |
| 77 | I | 73.7 | Confident | 68 | Low | 65 Ų | 65 | 94.5 Ų | 94.5 | 33% | 0.333 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.9 | -46.3 | 174.3 | -68.5 | -68.5 | 0 | 0 | 0 | 110.6 | F73 S74 K80 L81 | F73-I77 HydrophobicContact CD1-CG1 3.92Å; F73-I77 HydrophobicContact CE1-CD1 4.01Å; F73-I77 HydrophobicContact CE1-CG1 3.76Å; F73-I77 HydrophobicContact CZ-CD1 4.42Å; F73-I77 WeakPolarHBondContact O-CG1 3.47Å; F73-I77 PolarHBondContact O-N 2.77Å; S74-I77 PolarHBondContact O-N 3.08Å; I77-K80 PolarHBondContact O-N 2.93Å; I77-L81 HydrophobicContact CG2-CD1 4Å; I77-L81 WeakPolarHBondContact O-CB 3.34Å; I77-L81 WeakPolarHBondContact O-CG 3.28Å; I77-L81 PolarHBondContact O-N 3.2Å |
| 78 | A | 71.4 | Confident | 66.4 | Low | 57 Ų | 57 | 98.4 Ų | 98.4 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S74 L81 R82 | S74-A78 VanDerWaalsContact O-CB 3.26Å; S74-A78 WeakPolarHBondContact O-CB 3.39Å; S74-A78 PolarHBondContact O-N 3.32Å; A78-L81 PolarHBondContact O-N 3.48Å; A78-R82 WeakPolarHBondContact O-CA 3.39Å; A78-R82 PolarHBondContact O-N 3.31Å |
| 79 | E | 73 | Confident | 64.7 | Low | 93 Ų | 93 | 96.9 Ų | 96.9 | 44% | 0.435 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71 | -34.5 | 175.8 | -179.2 | 62.2 | -175 | 0 | 0 | 112.1 | S75 R82 C83 | S75-E79 VanDerWaalsContact O-CB 3.25Å; S75-E79 WeakPolarHBondContact O-CB 3.47Å; S75-E79 PolarHBondContact O-N 3.49Å; E79-R82 CarbonylContact O-C 3.57Å; E79-R82 VanDerWaalsContact O-CA 3.29Å; E79-R82 WeakPolarHBondContact O-CA 3.5Å; E79-R82 PolarHBondContact O-N 3.47Å; E79-R82 IonicContact OE1-CZ 2.74Å; E79-R82 IonicContact OE1-NE 2.64Å; E79-R82 IonicContact OE1-NH2 2.72Å; E79-R82 PolarHBondContact OE1-NH2 3.39Å; E79-R82 IonicContact OE2-CZ 3.76Å; E79-R82 IonicContact OE2-NE 2.7Å; E79-R82 PolarHBondContact OE2-NE 3.35Å; E79-R82 IonicContact OE2-NH2 2.8Å; E79-R82 PolarHBondContact OE2-NH2 3.01Å; E79-C83 PolarHBondContact O-N 2.94Å; E79-C83 PolarHBondContact O-SG 3.15Å |
| 80 | K | 67.5 | Low | 62.8 | Low | 135 Ų | 135 | 96.1 Ų | 96.1 | 59% | 0.587 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.2 | -43 | 171.2 | 179.6 | -179.2 | 170.8 | -176.1 | 0 | 111.1 | I76 I77 C83 N84 | I76-K80 WeakPolarHBondContact O-CB 3.34Å; I76-K80 PolarHBondContact O-N 2.98Å; I77-K80 PolarHBondContact O-N 2.93Å; K80-C83 PolarHBondContact O-N 3.38Å; K80-N84 WeakPolarHBondContact O-CB 3.48Å; K80-N84 PolarHBondContact O-N 3.23Å; K80-N84 VanDerWaalsContact O-N 3.14Å; K80-N84 PolarHBondContact O-ND2 3.14Å |
| 81 | L | 63.2 | Low | 61.1 | Low | 85 Ų | 85 | 104 Ų | 104 | 45% | 0.445 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.5 | -50.4 | 171.1 | -77.4 | 162.3 | 0 | 0 | 0 | 109.7 | I77 A78 C83 N84 T85 | I77-L81 HydrophobicContact CG2-CD1 4Å; I77-L81 WeakPolarHBondContact O-CB 3.34Å; I77-L81 WeakPolarHBondContact O-CG 3.28Å; I77-L81 PolarHBondContact O-N 3.2Å; A78-L81 PolarHBondContact O-N 3.48Å; L81-C83 VanDerWaalsContact C-N 3.3Å; L81-C83 PolarHBondContact O-N 3.29Å; L81-N84 CarbonylContact O-C 3.41Å; L81-N84 PolarHBondContact O-N 3.5Å; L81-T85 PolarHBondContact O-N 3.25Å; L81-T85 PolarHBondContact O-OG1 3.45Å |
| 82 | R | 69 | Low | 59.2 | Low | 148 Ų | 148 | 112.2 Ų | 112.2 | 56% | 0.558 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -22.3 | -66.1 | 160.9 | 171.3 | -80.3 | 95.1 | 69.5 | -8.4 | 113.3 | A78 E79 T85 | A78-R82 WeakPolarHBondContact O-CA 3.39Å; A78-R82 PolarHBondContact O-N 3.31Å; E79-R82 CarbonylContact O-C 3.57Å; E79-R82 VanDerWaalsContact O-CA 3.29Å; E79-R82 WeakPolarHBondContact O-CA 3.5Å; E79-R82 PolarHBondContact O-N 3.47Å; E79-R82 IonicContact OE1-CZ 2.74Å; E79-R82 IonicContact OE1-NE 2.64Å; E79-R82 IonicContact OE1-NH2 2.72Å; E79-R82 PolarHBondContact OE1-NH2 3.39Å; E79-R82 IonicContact OE2-CZ 3.76Å; E79-R82 IonicContact OE2-NE 2.7Å; E79-R82 PolarHBondContact OE2-NE 3.35Å; E79-R82 IonicContact OE2-NH2 2.8Å; E79-R82 PolarHBondContact OE2-NH2 3.01Å; R82-T85 PolarHBondContact O-OG1 2.88Å; R82-T85 VanDerWaalsContact O-OG1 3.09Å |
| 83 | C | 59.1 | Low | 57.3 | Low | 84 Ų | 84 | 119.2 Ų | 119.2 | 57% | 0.568 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -83.6 | -11.5 | -172.8 | -62.1 | 0 | 0 | 0 | 0 | 114.5 | E79 K80 L81 | E79-C83 PolarHBondContact O-N 2.94Å; E79-C83 PolarHBondContact O-SG 3.15Å; K80-C83 PolarHBondContact O-N 3.38Å; L81-C83 VanDerWaalsContact C-N 3.3Å; L81-C83 PolarHBondContact O-N 3.29Å |
| 84 | N | 52.1 | Low | 55.5 | Low | 123 Ų | 123 | 118.3 Ų | 118.3 | 66% | 0.658 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -103.9 | -16 | 176 | -73.5 | -74.9 | 0 | 0 | 0 | 113.2 | K80 L81 | K80-N84 WeakPolarHBondContact O-CB 3.48Å; K80-N84 PolarHBondContact O-N 3.23Å; K80-N84 VanDerWaalsContact O-N 3.14Å; K80-N84 PolarHBondContact O-ND2 3.14Å; L81-N84 CarbonylContact O-C 3.41Å; L81-N84 PolarHBondContact O-N 3.5Å |
| 85 | T | 43 | Very low | 54 | Low | 71 Ų | 71 | 120.5 Ų | 120.5 | 44% | 0.436 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -74.2 | 129.7 | 168.5 | 34.8 | 0 | 0 | 0 | 0 | 111.1 | L81 R82 S87 | L81-T85 PolarHBondContact O-N 3.25Å; L81-T85 PolarHBondContact O-OG1 3.45Å; R82-T85 PolarHBondContact O-OG1 2.88Å; R82-T85 VanDerWaalsContact O-OG1 3.09Å; T85-S87 PolarHBondContact O-N 2.92Å |
| 86 | L | 43.2 | Very low | 52.5 | Low | 136 Ų | 136 | 121.1 Ų | 121.1 | 71% | 0.712 | 63% | 0.633 | S | S | * | * | trans | -70.1 | 115.1 | 174.8 | -69.4 | 159.9 | 0 | 0 | 0 | 109.2 | D88 P1701 | L86-D88 PolarHBondContact O-N 2.88Å; L86-P1701 HydrophobicContact CD1-CB 4.28Å; L86-P1701 HydrophobicContact CD1-CG 3.8Å; L86-P1701 HydrophobicContact CD2-CG 4.24Å; L86-P1701 HydrophobicContact CG-CG 4.43Å | ||
| 87 | S | 39.7 | Very low | 51.2 | Low | 110 Ų | 110 | 120.1 Ų | 120.1 | 77% | 0.769 | 63% | 0.628 | S | S | * | * | trans | -72 | 94.4 | 178.6 | 59 | 0 | 0 | 0 | 0 | 110.7 | T85 T89 | T85-S87 PolarHBondContact O-N 2.92Å; S87-T89 PolarHBondContact O-N 2.84Å | ||
| 88 | D | 39.5 | Very low | 50.2 | Low | 153 Ų | 153 | 118.8 Ų | 118.8 | 82% | 0.818 | 62% | 0.621 | S | S | * | * | trans | -68.2 | 116.7 | 172.4 | -169.9 | 16 | 0 | 0 | 0 | 110.4 | L86 G90 | L86-D88 PolarHBondContact O-N 2.88Å; D88-G90 PolarHBondContact O-N 2.82Å | ||
| 89 | T | 41.3 | Very low | 49.2 | Very low | 113 Ų | 113 | 123.5 Ų | 123.5 | 69% | 0.693 | 63% | 0.63 | S | S | * | * | trans | -82.7 | 85.3 | -173 | 49.2 | 0 | 0 | 0 | 0 | 110.4 | S87 R91 | S87-T89 PolarHBondContact O-N 2.84Å; T89-R91 PolarHBondContact O-N 3.47Å | ||
| 90 | G | 38.9 | Very low | 48.2 | Very low | 77 Ų | 77 | 124.3 Ų | 124.3 | 79% | 0.794 | 64% | 0.638 | S | S | * | * | trans | -63.7 | 54.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117 | D88 | D88-G90 PolarHBondContact O-N 2.82Š| ||
| 91 | R | 37.9 | Very low | 47.4 | Very low | 236 Ų | 236 | 121.5 Ų | 121.5 | 89% | 0.891 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -135.2 | 104.5 | 167.8 | -73.8 | -165.9 | 178.5 | -138.7 | 0.2 | 111.5 | T89 | T89-R91 PolarHBondContact O-N 3.47Š|
| 92 | R | 40.6 | Very low | 46.9 | Very low | 242 Ų | 242 | 119.2 Ų | 119.2 | 91% | 0.913 | 62% | 0.616 | S | S | * | * | S | Bend | trans | 37.9 | 109.2 | 155.1 | -65.4 | -176.1 | 176.9 | -176.2 | -0.8 | 118 | S94 | R92-S94 PolarHBondContact O-N 2.99Å; R92-S94 VanDerWaalsContact O-N 3.07Å |
| 93 | K | 39.9 | Very low | 46.2 | Very low | 201 Ų | 201 | 122.3 Ų | 122.3 | 87% | 0.874 | 63% | 0.628 | S | S | * | * | trans | 25.9 | 71.1 | 147.4 | -68.2 | -168 | 175.2 | -171.2 | 0 | 115.8 | L95 | K93-L95 PolarHBondContact O-N 3.5Š| ||
| 94 | S | 39.6 | Very low | 45.8 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 78% | 0.783 | 61% | 0.609 | S | S | * | * | trans | -78.3 | 106.4 | 153.2 | -167.7 | 0 | 0 | 0 | 0 | 107.3 | R92 | R92-S94 PolarHBondContact O-N 2.99Å; R92-S94 VanDerWaalsContact O-N 3.07Å | ||
| 95 | L | 46.2 | Very low | 45.9 | Very low | 116 Ų | 116 | 120.1 Ų | 120.1 | 61% | 0.607 | 61% | 0.614 | S | S | * | * | trans | -60.7 | 149.1 | 157.3 | -81.6 | 78.9 | 0 | 0 | 0 | 107.5 | K93 N97 | K93-L95 PolarHBondContact O-N 3.5Å; L95-N97 PolarHBondContact O-N 3.06Å; L95-N97 VanDerWaalsContact O-N 3.15Å | ||
| 96 | M | 47.7 | Very low | 46.5 | Very low | 81 Ų | 81 | 118.7 Ų | 118.7 | 40% | 0.399 | 61% | 0.606 | S | S | . | * | trans | -56.1 | 119.8 | 174 | 177.2 | 170.8 | 61.2 | 0 | 0 | 108.7 | Q98 F102 F1692 | M96-Q98 WeakPolarHBondContact O-CG 3.43Å; M96-Q98 PolarHBondContact O-N 3.43Å; M96-F102 HydrophobicContact CE-CE2 4Å; M96-F102 HydrophobicContact CE-CZ 4.21Å; M96-F1692 HydrophobicContact CE-CD2 4.23Å; M96-F1692 HydrophobicContact CE-CE2 3.93Å | ||
| 97 | N | 48.8 | Very low | 47 | Very low | 84 Ų | 84 | 115.5 Ų | 115.5 | 45% | 0.449 | 60% | 0.599 | S | S | . | * | trans | -69.1 | 97.7 | -179.6 | -172.8 | 13.3 | 0 | 0 | 0 | 109.9 | L95 K99 D100 | L95-N97 PolarHBondContact O-N 3.06Å; L95-N97 VanDerWaalsContact O-N 3.15Å; N97-K99 PolarHBondContact O-N 3.41Å; N97-K99 VanDerWaalsContact O-N 3.14Å; N97-D100 PolarHBondContact ND2-OD1 3.26Å; N97-D100 PolarHBondContact ND2-OD2 3.03Å; N97-D100 PolarHBondContact O-N 3.3Å | ||
| 98 | Q | 53.1 | Low | 48 | Very low | 38 Ų | 38 | 122.1 Ų | 122.1 | 18% | 0.178 | 61% | 0.607 | C | S | . | * | H | α-helix | trans | -66.8 | -15.8 | -172.5 | -66.1 | 175.4 | 8.2 | 0 | 0 | 112.5 | M96 F102 A169 | M96-Q98 WeakPolarHBondContact O-CG 3.43Å; M96-Q98 PolarHBondContact O-N 3.43Å; Q98-F102 HydrophobicContact CB-CD2 4.22Å; Q98-F102 HydrophobicContact CB-CE2 4.45Å; Q98-F102 HydrophobicContact CG-CE2 4.31Å; Q98-F102 WeakPolarHBondContact O-CD2 3.36Å; Q98-A169 HydrophobicContact CB-CB 4.05Å; Q98-A169 VanDerWaalsContact OE1-N 3.11Å |
| 99 | K | 50.3 | Low | 49.7 | Very low | 155 Ų | 155 | 117.8 Ų | 117.8 | 67% | 0.674 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.6 | -32.1 | 173.9 | -76.8 | -173.6 | 173 | -179.1 | 0 | 114.3 | N97 | N97-K99 PolarHBondContact O-N 3.41Å; N97-K99 VanDerWaalsContact O-N 3.14Å |
| 100 | D | 50.9 | Low | 51.6 | Low | 111 Ų | 111 | 116.8 Ų | 116.8 | 59% | 0.594 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -86.6 | -21.1 | -171.3 | -60.1 | -25.1 | 0 | 0 | 0 | 113.1 | N97 | N97-D100 PolarHBondContact ND2-OD1 3.26Å; N97-D100 PolarHBondContact ND2-OD2 3.03Å; N97-D100 PolarHBondContact O-N 3.3Å |
| 101 | N | 50.8 | Low | 53.7 | Low | 76 Ų | 76 | 117.2 Ų | 117.2 | 41% | 0.406 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -108.3 | -15.7 | -172.1 | -72.8 | -80.6 | 0 | 0 | 0 | 114.8 | ||
| 102 | F | 54.2 | Low | 55.8 | Low | 36 Ų | 36 | 107.8 Ų | 107.8 | 16% | 0.158 | 54% | 0.54 | C | S | . | . | trans | -115.3 | 83.4 | -171.5 | -68.4 | -93.6 | 0 | 0 | 0 | 113.1 | M96 Q98 L104 M162 A165 | M96-F102 HydrophobicContact CE-CE2 4Å; M96-F102 HydrophobicContact CE-CZ 4.21Å; Q98-F102 HydrophobicContact CB-CD2 4.22Å; Q98-F102 HydrophobicContact CB-CE2 4.45Å; Q98-F102 HydrophobicContact CG-CE2 4.31Å; Q98-F102 WeakPolarHBondContact O-CD2 3.36Å; F102-L104 HydrophobicContact CB-CD1 4.14Å; F102-L104 HydrophobicContact CB-CG 4.3Å; F102-L104 HydrophobicContact CD1-CD1 3.99Å; F102-L104 PolarHBondContact O-N 2.96Å; F102-M162 HydrophobicContact CE1-CE 3.88Å; F102-M162 HydrophobicContact CE1-SD 4.22Å; F102-M162 HydrophobicContact CZ-CE 4.36Å; F102-A165 HydrophobicContact CE1-CB 4.13Å; F102-A165 HydrophobicContact CZ-CB 4.12Å | ||
| 103 | W | 52.9 | Low | 57.9 | Low | 213 Ų | 213 | 97.4 Ų | 97.4 | 81% | 0.807 | 50% | 0.502 | S | S | * | . | trans | -79.6 | 81 | 169.9 | -76.1 | 85.7 | 0 | 0 | 0 | 111.1 | ||||
| 104 | L | 52.3 | Low | 60.1 | Low | 34 Ų | 34 | 90 Ų | 90 | 18% | 0.178 | 47% | 0.472 | C | S | . | . | trans | -104.9 | 78.1 | -172.8 | -73.6 | 176 | 0 | 0 | 0 | 112.9 | F102 V133 I135 Y166 | F102-L104 HydrophobicContact CB-CD1 4.14Å; F102-L104 HydrophobicContact CB-CG 4.3Å; F102-L104 HydrophobicContact CD1-CD1 3.99Å; F102-L104 PolarHBondContact O-N 2.96Å; L104-V133 HydrophobicContact CD2-CB 3.8Å; L104-V133 HydrophobicContact CD2-CG2 4Å; L104-I135 HydrophobicContact CB-CD1 4.17Å; L104-Y166 HydrophobicContact CB-CD2 4.23Å; L104-Y166 HydrophobicContact CB-CE2 4.46Å; L104-Y166 HydrophobicContact CD1-CD2 3.51Å; L104-Y166 HydrophobicContact CD1-CE2 4.49Å; L104-Y166 HydrophobicContact CD1-CG 4.01Å | ||
| 105 | V | 52.5 | Low | 62.4 | Low | 127 Ų | 127 | 88.3 Ų | 88.3 | 77% | 0.77 | 46% | 0.457 | S | S | * | . | trans | -131.9 | 108.3 | 166 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 106 | T | 56 | Low | 64.5 | Low | 41 Ų | 41 | 83.7 Ų | 83.7 | 25% | 0.252 | 43% | 0.432 | S | S | . | . | trans | -122.8 | 133.9 | 176.2 | -49.3 | 0 | 0 | 0 | 0 | 108.7 | K132 V133 | T106-K132 HydrophobicContact CG2-CB 4.46Å; T106-K132 WeakPolarHBondContact OG1-CA 3.44Å; T106-K132 PolarHBondContact OG1-O 2.87Å; T106-V133 WeakPolarHBondContact CB-O 3.44Å; T106-V133 PolarHBondContact OG1-N 3.42Å; T106-V133 PolarHBondContact OG1-O 3.26Å | ||
| 107 | A | 54.4 | Low | 66.6 | Low | 69 Ų | 69 | 79.9 Ų | 79.9 | 57% | 0.57 | 41% | 0.413 | S | S | * | . | trans | -70.5 | 145.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S109 | A107-S109 PolarHBondContact O-N 3.14Š| ||
| 108 | R | 60.4 | Low | 68.6 | Low | 250 Ų | 250 | 79.6 Ų | 79.6 | 94% | 0.943 | 41% | 0.414 | S | S | * | . | trans | -72.9 | 17.1 | -177.7 | -54.8 | -173.7 | -171.2 | 176.4 | 3.7 | 114.8 | ||||
| 109 | S | 75.3 | Confident | 70.4 | Confident | 62 Ų | 62 | 79.6 Ų | 79.6 | 43% | 0.434 | 42% | 0.415 | S | S | . | . | trans | -81.7 | 124.7 | -179.2 | 62.6 | 0 | 0 | 0 | 0 | 110.6 | A107 S111 A112 I113 | A107-S109 PolarHBondContact O-N 3.14Å; S109-S111 PolarHBondContact O-N 3.41Å; S109-S111 VanDerWaalsContact O-N 3.15Å; S109-A112 PolarHBondContact O-N 3.23Å; S109-A112 WeakPolarHBondContact OG-CB 3.32Å; S109-I113 PolarHBondContact O-N 3.3Å | ||
| 110 | Q | 80.4 | Confident | 72.2 | Confident | 92 Ų | 92 | 72.2 Ų | 72.2 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.6 | -30.8 | -175.1 | -168.1 | 66.9 | -9.2 | 0 | 0 | 112.8 | I113 N114 Y145 | Q110-I113 PolarHBondContact O-N 2.99Å; Q110-N114 WeakPolarHBondContact O-CB 3.47Å; Q110-N114 PolarHBondContact O-N 3.4Å; Q110-N114 PolarHBondContact O-ND2 3.43Å; Q110-N114 PolarHBondContact O-OD1 2.7Å; Q110-Y145 PolarHBondContact NE2-OH 3.01Å |
| 111 | S | 83.3 | Confident | 74.1 | Confident | 86 Ų | 86 | 68.3 Ų | 68.3 | 60% | 0.601 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60 | -46.7 | 171.3 | 172.9 | 0 | 0 | 0 | 0 | 112.5 | S109 I113 N114 T115 | S109-S111 PolarHBondContact O-N 3.41Å; S109-S111 VanDerWaalsContact O-N 3.15Å; S111-I113 PolarHBondContact O-N 3.4Å; S111-N114 PolarHBondContact O-N 3.41Å; S111-T115 PolarHBondContact O-N 2.94Å; S111-T115 PolarHBondContact O-OG1 3.09Å |
| 112 | A | 81.9 | Confident | 75.8 | Confident | 38 Ų | 38 | 66.4 Ų | 66.4 | 31% | 0.314 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.9 | -36.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | S109 W116 | S109-A112 PolarHBondContact O-N 3.23Å; S109-A112 WeakPolarHBondContact OG-CB 3.32Å; A112-W116 WeakPolarHBondContact O-CB 3.47Å; A112-W116 PolarHBondContact O-N 2.92Å |
| 113 | I | 85.3 | Confident | 77.1 | Confident | 24 Ų | 24 | 71.2 Ų | 71.2 | 12% | 0.123 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.8 | -51.4 | 173 | -61.5 | 175.4 | 0 | 0 | 0 | 109.8 | S109 Q110 S111 T115 W116 F117 Y145 | S109-I113 PolarHBondContact O-N 3.3Å; Q110-I113 PolarHBondContact O-N 2.99Å; S111-I113 PolarHBondContact O-N 3.4Å; I113-T115 PolarHBondContact O-N 3.17Å; I113-W116 PolarHBondContact O-N 3.07Å; I113-W116 VanDerWaalsContact O-N 3.16Å; I113-F117 HydrophobicContact CG2-CD2 3.88Å; I113-F117 HydrophobicContact CG2-CE2 4.02Å; I113-F117 WeakPolarHBondContact O-CD2 3.43Å; I113-F117 PolarHBondContact O-N 3.39Å; I113-Y145 HydrophobicContact CG2-CD1 4.19Å; I113-Y145 HydrophobicContact CG2-CE1 3.93Å |
| 114 | N | 86.7 | Confident | 78.6 | Confident | 46 Ų | 46 | 65.7 Ų | 65.7 | 25% | 0.246 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.5 | -46.8 | 178.5 | -70.2 | -12.3 | 0 | 0 | 0 | 112.1 | Q110 S111 F117 T118 Y149 | Q110-N114 WeakPolarHBondContact O-CB 3.47Å; Q110-N114 PolarHBondContact O-N 3.4Å; Q110-N114 PolarHBondContact O-ND2 3.43Å; Q110-N114 PolarHBondContact O-OD1 2.7Å; S111-N114 PolarHBondContact O-N 3.41Å; N114-F117 PolarHBondContact O-N 2.98Å; N114-T118 PolarHBondContact O-N 3.49Å; N114-T118 VanDerWaalsContact O-N 3.09Å; N114-T118 PolarHBondContact O-OG1 3.01Å; N114-Y149 VanDerWaalsContact CB-OH 3.3Å; N114-Y149 WeakPolarHBondContact CB-OH 3.44Å; N114-Y149 VanDerWaalsContact CG-OH 3.24Å; N114-Y149 PolarHBondContact OD1-OH 2.92Å |
| 115 | T | 87.7 | Confident | 79.8 | Confident | 76 Ų | 76 | 66.5 Ų | 66.5 | 47% | 0.466 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 176.5 | -58.5 | 0 | 0 | 0 | 0 | 112 | S111 I113 F117 T118 D119 | S111-T115 PolarHBondContact O-N 2.94Å; S111-T115 PolarHBondContact O-OG1 3.09Å; I113-T115 PolarHBondContact O-N 3.17Å; T115-F117 VanDerWaalsContact C-N 3.35Å; T115-F117 PolarHBondContact O-N 3.04Å; T115-T118 PolarHBondContact O-N 2.89Å; T115-D119 WeakPolarHBondContact O-CB 3.4Å; T115-D119 PolarHBondContact O-N 3.5Å |
| 116 | W | 90.5 | Very high | 81.1 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 7% | 0.072 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.9 | -35.9 | 179.1 | -172.5 | 99.3 | 0 | 0 | 0 | 112.4 | A112 I113 D119 L120 L129 K132 V133 P134 W158 L159 | A112-W116 WeakPolarHBondContact O-CB 3.47Å; A112-W116 PolarHBondContact O-N 2.92Å; I113-W116 PolarHBondContact O-N 3.07Å; I113-W116 VanDerWaalsContact O-N 3.16Å; W116-D119 WeakPolarHBondContact O-CB 3.43Å; W116-D119 PolarHBondContact O-N 3.2Å; W116-L120 HydrophobicContact CE3-CB 4.32Å; W116-L120 HydrophobicContact CH2-CB 4.33Å; W116-L120 HydrophobicContact CH2-CD1 4.09Å; W116-L120 HydrophobicContact CH2-CD2 3.78Å; W116-L120 HydrophobicContact CH2-CG 4.28Å; W116-L120 HydrophobicContact CZ3-CB 4.05Å; W116-L120 HydrophobicContact CZ3-CD2 3.62Å; W116-L120 HydrophobicContact CZ3-CG 4.28Å; W116-L120 WeakPolarHBondContact O-CB 3.12Å; W116-L120 PolarHBondContact O-N 3.15Å; W116-L129 HydrophobicContact CZ2-CB 4.07Å; W116-L129 PolarHBondContact NE1-O 3.09Å; W116-K132 VanDerWaalsContact CD1-O 3.25Å; W116-K132 PolarHBondContact NE1-O 3.21Å; W116-V133 HydrophobicContact CH2-CG1 4.16Å; W116-V133 HydrophobicContact CZ2-CB 4.42Å; W116-V133 HydrophobicContact CZ2-CG1 4.07Å; W116-V133 HydrophobicContact CZ2-CG2 4.4Å; W116-P134 HydrophobicContact CB-CG 4.18Å; W116-P134 HydrophobicContact CD2-CG 3.6Å; W116-P134 VanDerWaalsContact CE3-CD 3.43Å; W116-P134 HydrophobicContact CE3-CG 3.54Å; W116-P134 HydrophobicContact CG-CG 3.87Å; W116-P134 HydrophobicContact CZ3-CG 4.15Å; W116-W158 HydrophobicContact CH2-CZ3 4.31Å; W116-W158 HydrophobicContact CZ2-CZ3 4.2Å; W116-L159 HydrophobicContact CH2-CD1 3.9Å; W116-L159 HydrophobicContact CH2-CD2 4.26Å; W116-L159 HydrophobicContact CZ3-CD1 4.35Å; W116-L159 HydrophobicContact CZ3-CD2 4.05Å |
| 117 | F | 91.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.2 | -37.3 | 174.8 | -88.6 | -89.4 | 0 | 0 | 0 | 113 | I113 N114 T115 D119 L120 A121 P134 F136 Y145 L146 Y149 V151 L159 | I113-F117 HydrophobicContact CG2-CD2 3.88Å; I113-F117 HydrophobicContact CG2-CE2 4.02Å; I113-F117 WeakPolarHBondContact O-CD2 3.43Å; I113-F117 PolarHBondContact O-N 3.39Å; N114-F117 PolarHBondContact O-N 2.98Å; T115-F117 VanDerWaalsContact C-N 3.35Å; T115-F117 PolarHBondContact O-N 3.04Å; F117-D119 VanDerWaalsContact C-N 3.29Å; F117-D119 PolarHBondContact O-N 3.31Å; F117-L120 PolarHBondContact O-N 2.9Å; F117-A121 WeakPolarHBondContact O-CB 3.41Å; F117-A121 PolarHBondContact O-N 3.22Å; F117-P134 HydrophobicContact CE2-CB 4.43Å; F117-P134 HydrophobicContact CE2-CG 4.24Å; F117-F136 HydrophobicContact CE2-CE2 4.07Å; F117-F136 AromaticContact CE2-CZ 3.64Å; F117-F136 HydrophobicContact CE2-CZ 3.64Å; F117-F136 AromaticContact CZ-CE2 3.83Å; F117-F136 HydrophobicContact CZ-CE2 3.83Å; F117-F136 AromaticContact CZ-CZ 3.71Å; F117-F136 HydrophobicContact CZ-CZ 3.71Å; F117-Y145 HydrophobicContact CD2-CD1 4.32Å; F117-Y145 HydrophobicContact CE2-CD1 4.43Å; F117-Y145 HydrophobicContact CE2-CG 4.38Å; F117-Y145 HydrophobicContact CZ-CG 4.41Å; F117-L146 HydrophobicContact CE1-CD2 4.03Å; F117-L146 HydrophobicContact CE1-CG 4.24Å; F117-Y149 HydrophobicContact CB-CD1 4.11Å; F117-Y149 HydrophobicContact CB-CD2 3.56Å; F117-Y149 HydrophobicContact CB-CE1 4.46Å; F117-Y149 HydrophobicContact CB-CE2 3.96Å; F117-Y149 HydrophobicContact CB-CG 3.66Å; F117-Y149 HydrophobicContact CD1-CD2 4.42Å; F117-Y149 HydrophobicContact CG-CD2 4.17Å; F117-V151 HydrophobicContact CD1-CG2 4.25Å; F117-L159 HydrophobicContact CE1-CD2 3.82Å; F117-L159 HydrophobicContact CZ-CD2 3.7Å |
| 118 | T | 90.4 | Very high | 83 | Confident | 79 Ų | 79 | 65.1 Ų | 65.1 | 49% | 0.485 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 168.2 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | N114 T115 A121 G122 Y149 | N114-T118 PolarHBondContact O-N 3.49Å; N114-T118 VanDerWaalsContact O-N 3.09Å; N114-T118 PolarHBondContact O-OG1 3.01Å; T115-T118 PolarHBondContact O-N 2.89Å; T118-A121 PolarHBondContact O-N 3.17Å; T118-G122 PolarHBondContact O-N 2.99Å; T118-Y149 WeakPolarHBondContact OG1-CE1 3.43Å |
| 119 | D | 90 | Very high | 83.9 | Confident | 37 Ų | 37 | 53.6 Ų | 53.6 | 20% | 0.198 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.8 | -35.6 | 176.9 | -82.3 | -10.8 | 0 | 0 | 0 | 113.3 | T115 W116 F117 K124 L129 | T115-D119 WeakPolarHBondContact O-CB 3.4Å; T115-D119 PolarHBondContact O-N 3.5Å; W116-D119 WeakPolarHBondContact O-CB 3.43Å; W116-D119 PolarHBondContact O-N 3.2Å; F117-D119 VanDerWaalsContact C-N 3.29Å; F117-D119 PolarHBondContact O-N 3.31Å; D119-K124 HydrophobicContact CB-CD 3.95Å; D119-K124 VanDerWaalsContact CG-CD 3.49Å; D119-K124 WeakPolarHBondContact OD1-CD 3.48Å; D119-K124 WeakPolarHBondContact OD1-CE 3.42Å; D119-K124 IonicContact OD1-NZ 3.75Å; D119-K124 PolarHBondContact OD1-NZ 2.96Å; D119-K124 IonicContact OD2-NZ 2.71Å; D119-K124 PolarHBondContact OD2-NZ 3.16Å; D119-L129 HydrophobicContact CB-CD2 3.94Å |
| 120 | L | 89.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.7 | -42.8 | 173.6 | -174.2 | 70.4 | 0 | 0 | 0 | 111.4 | W116 F117 G122 L126 L129 L146 V151 R155 W158 L159 | W116-L120 HydrophobicContact CE3-CB 4.32Å; W116-L120 HydrophobicContact CH2-CB 4.33Å; W116-L120 HydrophobicContact CH2-CD1 4.09Å; W116-L120 HydrophobicContact CH2-CD2 3.78Å; W116-L120 HydrophobicContact CH2-CG 4.28Å; W116-L120 HydrophobicContact CZ3-CB 4.05Å; W116-L120 HydrophobicContact CZ3-CD2 3.62Å; W116-L120 HydrophobicContact CZ3-CG 4.28Å; W116-L120 WeakPolarHBondContact O-CB 3.12Å; W116-L120 PolarHBondContact O-N 3.15Å; F117-L120 PolarHBondContact O-N 2.9Å; L120-G122 VanDerWaalsContact C-N 3.32Å; L120-G122 PolarHBondContact O-N 3.21Å; L120-L126 HydrophobicContact CD1-CD2 4.11Å; L120-L129 HydrophobicContact CB-CD1 4.23Å; L120-L129 HydrophobicContact CD1-CD1 3.7Å; L120-L146 HydrophobicContact CD2-CD2 4.33Å; L120-V151 HydrophobicContact CD2-CG1 3.68Å; L120-V151 HydrophobicContact CD2-CG2 4.25Å; L120-V151 HydrophobicContact CG-CG1 3.79Å; L120-R155 HydrophobicContact CD1-CB 4.08Å; L120-R155 HydrophobicContact CG-CB 4.3Å; L120-R155 WeakPolarHBondContact O-CD 3.3Å; L120-R155 PolarHBondContact O-NH1 2.68Å; L120-W158 HydrophobicContact CD1-CE3 4.15Å; L120-W158 HydrophobicContact CD1-CZ3 4.09Å; L120-L159 HydrophobicContact CD2-CB 4.33Å; L120-L159 HydrophobicContact CD2-CD2 4.12Å |
| 121 | A | 90.2 | Very high | 83.5 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 25% | 0.248 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.7 | -35.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F117 T118 Y149 V151 | F117-A121 WeakPolarHBondContact O-CB 3.41Å; F117-A121 PolarHBondContact O-N 3.22Å; T118-A121 PolarHBondContact O-N 3.17Å; A121-Y149 VanDerWaalsContact CB-O 3.32Å; A121-Y149 WeakPolarHBondContact CB-O 3.27Å; A121-V151 HydrophobicContact CB-CG2 4.1Å |
| 122 | G | 86.9 | Confident | 83.2 | Confident | 35 Ų | 35 | 56.1 Ų | 56.1 | 36% | 0.361 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -158.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | T118 L120 R155 | T118-G122 PolarHBondContact O-N 2.99Å; L120-G122 VanDerWaalsContact C-N 3.32Å; L120-G122 PolarHBondContact O-N 3.21Å; G122-R155 PolarHBondContact O-NH1 2.73Å |
| 123 | T | 81.2 | Confident | 83.1 | Confident | 137 Ų | 137 | 54.5 Ų | 54.5 | 84% | 0.84 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -5 | -172.5 | 52.2 | 0 | 0 | 0 | 0 | 115 | R155 | T123-R155 PolarHBondContact O-NH2 2.8Š|
| 124 | K | 83.6 | Confident | 83 | Confident | 98 Ų | 98 | 53.5 Ų | 53.5 | 43% | 0.426 | 30% | 0.297 | S | S | . | . | trans | -56.2 | 140.5 | -172.2 | -71.2 | -168.8 | -176.3 | 168.5 | 0 | 112.2 | D119 L129 R155 | D119-K124 HydrophobicContact CB-CD 3.95Å; D119-K124 VanDerWaalsContact CG-CD 3.49Å; D119-K124 WeakPolarHBondContact OD1-CD 3.48Å; D119-K124 WeakPolarHBondContact OD1-CE 3.42Å; D119-K124 IonicContact OD1-NZ 3.75Å; D119-K124 PolarHBondContact OD1-NZ 2.96Å; D119-K124 IonicContact OD2-NZ 2.71Å; D119-K124 PolarHBondContact OD2-NZ 3.16Å; K124-L129 HydrophobicContact CB-CD2 4.45Å; K124-R155 PolarHBondContact O-NH1 3.25Å; K124-R155 PolarHBondContact O-NH2 2.94Å | ||
| 125 | P | 77.9 | Confident | 82.6 | Confident | 51 Ų | 51 | 54.3 Ų | 54.3 | 33% | 0.331 | 30% | 0.3 | S | S | . | . | trans | -64 | 136 | -177.6 | -25.1 | 35 | 0 | 0 | 0 | 113.3 | T127 H128 L129 | P125-T127 PolarHBondContact O-N 3.39Å; P125-T127 VanDerWaalsContact O-N 3.16Å; P125-H128 WeakPolarHBondContact O-CB 3.42Å; P125-H128 PolarHBondContact O-N 3.33Å; P125-L129 PolarHBondContact O-N 3.47Å | ||
| 126 | L | 79.6 | Confident | 82.2 | Confident | 22 Ų | 22 | 51.6 Ų | 51.6 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.6 | -32.3 | 176.4 | -59.9 | 180 | 0 | 0 | 0 | 112.2 | L120 H128 L129 A130 R155 W158 E1693 | L120-L126 HydrophobicContact CD1-CD2 4.11Å; L126-H128 PolarHBondContact O-N 2.93Å; L126-H128 VanDerWaalsContact O-N 3.15Å; L126-L129 HydrophobicContact CD2-CD1 4.37Å; L126-L129 PolarHBondContact O-N 3.36Å; L126-A130 WeakPolarHBondContact O-CB 3.49Å; L126-A130 PolarHBondContact O-N 3.47Å; L126-R155 HydrophobicContact CD2-CG 4.26Å; L126-W158 HydrophobicContact CB-CD2 4.45Å; L126-W158 HydrophobicContact CB-CZ2 3.99Å; L126-W158 HydrophobicContact CD1-CB 4.44Å; L126-W158 HydrophobicContact CD1-CD2 4.12Å; L126-W158 HydrophobicContact CD1-CG 3.89Å; L126-W158 HydrophobicContact CD2-CD2 3.97Å; L126-W158 HydrophobicContact CD2-CE3 3.92Å; L126-W158 HydrophobicContact CD2-CG 4.47Å; L126-W158 HydrophobicContact CD2-CZ3 4.22Å; L126-W158 HydrophobicContact CG-CD2 4.41Å; L126-E1693 HydrophobicContact CD1-CB 4.3Å |
| 127 | T | 72.8 | Confident | 81.6 | Confident | 64 Ų | 64 | 55.5 Ų | 55.5 | 39% | 0.393 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.5 | -24 | 174.1 | 69.5 | 0 | 0 | 0 | 0 | 113.9 | P125 G1694 | P125-T127 PolarHBondContact O-N 3.39Å; P125-T127 VanDerWaalsContact O-N 3.16Å; T127-G1694 VanDerWaalsContact CG2-O 3.29Å; T127-G1694 WeakPolarHBondContact CG2-O 3.19Å |
| 128 | H | 77.2 | Confident | 81.3 | Confident | 121 Ų | 121 | 60.9 Ų | 60.9 | 56% | 0.56 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -92.1 | -40.2 | 177.6 | -139.2 | 121.3 | 0 | 0 | 0 | 111.2 | P125 L126 K131 | P125-H128 WeakPolarHBondContact O-CB 3.42Å; P125-H128 PolarHBondContact O-N 3.33Å; L126-H128 PolarHBondContact O-N 2.93Å; L126-H128 VanDerWaalsContact O-N 3.15Å; H128-K131 PolarHBondContact O-N 3.18Å |
| 129 | L | 79.3 | Confident | 81.2 | Confident | 9 Ų | 9 | 58.8 Ų | 58.8 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.5 | -33.6 | 179.2 | -58.3 | 179 | 0 | 0 | 0 | 112.5 | W116 D119 L120 K124 P125 L126 K131 K132 W158 | W116-L129 HydrophobicContact CZ2-CB 4.07Å; W116-L129 PolarHBondContact NE1-O 3.09Å; D119-L129 HydrophobicContact CB-CD2 3.94Å; L120-L129 HydrophobicContact CB-CD1 4.23Å; L120-L129 HydrophobicContact CD1-CD1 3.7Å; K124-L129 HydrophobicContact CB-CD2 4.45Å; P125-L129 PolarHBondContact O-N 3.47Å; L126-L129 HydrophobicContact CD2-CD1 4.37Å; L126-L129 PolarHBondContact O-N 3.36Å; L129-K131 PolarHBondContact O-N 2.72Å; L129-K132 CarbonylContact O-C 3.59Å; L129-K132 PolarHBondContact O-N 2.7Å; L129-K132 VanDerWaalsContact O-N 3.15Å; L129-W158 HydrophobicContact CB-CH2 4.14Å; L129-W158 HydrophobicContact CB-CZ3 4.46Å |
| 130 | A | 76.1 | Confident | 81.1 | Confident | 32 Ų | 32 | 58.7 Ų | 58.7 | 26% | 0.264 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -52.8 | -26 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L126 K132 W158 | L126-A130 WeakPolarHBondContact O-CB 3.49Å; L126-A130 PolarHBondContact O-N 3.47Å; A130-K132 VanDerWaalsContact C-N 3.31Å; A130-K132 PolarHBondContact O-N 3.39Å; A130-W158 HydrophobicContact CB-CH2 4.28Å; A130-W158 HydrophobicContact CB-CZ2 3.97Å |
| 131 | K | 72.6 | Confident | 81.1 | Confident | 124 Ų | 124 | 61.6 Ų | 61.6 | 54% | 0.539 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -73.5 | -18 | -177.2 | -60.6 | 178 | -178 | 173.6 | 0 | 114.3 | H128 L129 | H128-K131 PolarHBondContact O-N 3.18Å; L129-K131 PolarHBondContact O-N 2.72Å |
| 132 | K | 76.8 | Confident | 81.1 | Confident | 136 Ų | 136 | 60.2 Ų | 60.2 | 59% | 0.591 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -152.9 | 60.7 | -174.3 | -68.7 | -167.4 | 176.1 | -176.7 | 0 | 110.7 | T106 W116 L129 A130 | T106-K132 HydrophobicContact CG2-CB 4.46Å; T106-K132 WeakPolarHBondContact OG1-CA 3.44Å; T106-K132 PolarHBondContact OG1-O 2.87Å; W116-K132 VanDerWaalsContact CD1-O 3.25Å; W116-K132 PolarHBondContact NE1-O 3.21Å; L129-K132 CarbonylContact O-C 3.59Å; L129-K132 PolarHBondContact O-N 2.7Å; L129-K132 VanDerWaalsContact O-N 3.15Å; A130-K132 VanDerWaalsContact C-N 3.31Å; A130-K132 PolarHBondContact O-N 3.39Å |
| 133 | V | 79.1 | Confident | 81.5 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | trans | -73.8 | 132.4 | 177.5 | -169.8 | 0 | 0 | 0 | 0 | 109.6 | L104 T106 W116 W158 L159 | L104-V133 HydrophobicContact CD2-CB 3.8Å; L104-V133 HydrophobicContact CD2-CG2 4Å; T106-V133 WeakPolarHBondContact CB-O 3.44Å; T106-V133 PolarHBondContact OG1-N 3.42Å; T106-V133 PolarHBondContact OG1-O 3.26Å; W116-V133 HydrophobicContact CH2-CG1 4.16Å; W116-V133 HydrophobicContact CZ2-CB 4.42Å; W116-V133 HydrophobicContact CZ2-CG1 4.07Å; W116-V133 HydrophobicContact CZ2-CG2 4.4Å; V133-W158 HydrophobicContact CG2-CH2 4.38Å; V133-L159 HydrophobicContact CG1-CD1 3.4Å; V133-L159 VanDerWaalsContact CG1-CD1 3.4Å | ||
| 134 | P | 82.6 | Confident | 82 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.019 | 27% | 0.272 | C | S | . | . | trans | -65.3 | 148.8 | 170.3 | -23.1 | 34.6 | 0 | 0 | 0 | 112 | W116 F117 | W116-P134 HydrophobicContact CB-CG 4.18Å; W116-P134 HydrophobicContact CD2-CG 3.6Å; W116-P134 VanDerWaalsContact CE3-CD 3.43Å; W116-P134 HydrophobicContact CE3-CG 3.54Å; W116-P134 HydrophobicContact CG-CG 3.87Å; W116-P134 HydrophobicContact CZ3-CG 4.15Å; F117-P134 HydrophobicContact CE2-CB 4.43Å; F117-P134 HydrophobicContact CE2-CG 4.24Å | ||
| 135 | I | 78 | Confident | 82.3 | Confident | 63 Ų | 63 | 50.6 Ų | 50.6 | 32% | 0.323 | 26% | 0.261 | S | S | . | . | trans | -131.6 | 123.2 | -177.5 | -54.2 | -175.3 | 0 | 0 | 0 | 108.8 | L104 Y166 | L104-I135 HydrophobicContact CB-CD1 4.17Å; I135-Y166 HydrophobicContact CD1-CD1 3.96Å; I135-Y166 HydrophobicContact CD1-CD2 3.72Å; I135-Y166 HydrophobicContact CD1-CE1 3.81Å; I135-Y166 HydrophobicContact CD1-CE2 3.52Å; I135-Y166 HydrophobicContact CD1-CG 3.9Å; I135-Y166 HydrophobicContact CG2-CD1 3.97Å; I135-Y166 HydrophobicContact CG2-CE1 3.51Å | ||
| 136 | F | 80.5 | Confident | 83.1 | Confident | 19 Ų | 19 | 48.2 Ų | 48.2 | 8% | 0.083 | 25% | 0.245 | C | C | . | . | trans | -89.3 | 157 | -173.7 | -69.7 | -75.1 | 0 | 0 | 0 | 112.8 | F117 K138 E141 V142 Y145 Y167 | F117-F136 HydrophobicContact CE2-CE2 4.07Å; F117-F136 AromaticContact CE2-CZ 3.64Å; F117-F136 HydrophobicContact CE2-CZ 3.64Å; F117-F136 AromaticContact CZ-CE2 3.83Å; F117-F136 HydrophobicContact CZ-CE2 3.83Å; F117-F136 AromaticContact CZ-CZ 3.71Å; F117-F136 HydrophobicContact CZ-CZ 3.71Å; F136-K138 WeakPolarHBondContact CB-O 3.43Å; F136-E141 HydrophobicContact CB-CB 4.01Å; F136-E141 WeakPolarHBondContact CB-OE2 3.29Å; F136-E141 HydrophobicContact CD1-CB 3.66Å; F136-E141 WeakPolarHBondContact CD1-OE2 3.2Å; F136-E141 HydrophobicContact CE1-CB 4.43Å; F136-E141 HydrophobicContact CG-CB 3.95Å; F136-V142 HydrophobicContact CD2-CB 4.02Å; F136-V142 HydrophobicContact CD2-CG2 4.11Å; F136-V142 HydrophobicContact CE2-CB 4.13Å; F136-V142 HydrophobicContact CE2-CG2 3.86Å; F136-Y145 HydrophobicContact CD1-CD2 4.45Å; F136-Y145 HydrophobicContact CD1-CE2 4.31Å; F136-Y145 AromaticContact CE1-CD2 3.47Å; F136-Y145 HydrophobicContact CE1-CD2 3.47Å; F136-Y145 VanDerWaalsContact CE1-CD2 3.47Å; F136-Y145 AromaticContact CE1-CE2 3.46Å; F136-Y145 HydrophobicContact CE1-CE2 3.46Å; F136-Y145 VanDerWaalsContact CE1-CE2 3.46Å; F136-Y145 HydrophobicContact CE1-CG 4.14Å; F136-Y145 AromaticContact CZ-CD2 3.72Å; F136-Y145 HydrophobicContact CZ-CD2 3.72Å; F136-Y145 HydrophobicContact CZ-CE2 4.16Å; F136-Y145 AromaticContact CZ-CG 3.98Å; F136-Y145 HydrophobicContact CZ-CG 3.98Å; F136-Y167 PolarHBondContact O-OH 2.99Å | ||
| 137 | S | 78.5 | Confident | 83.7 | Confident | 102 Ų | 102 | 47.7 Ų | 47.7 | 71% | 0.713 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -76.3 | -38.4 | -178.7 | 91.7 | 0 | 0 | 0 | 0 | 111.2 | E141 | S137-E141 PolarHBondContact N-OE2 3.05Å; S137-E141 PolarHBondContact OG-OE1 2.97Å |
| 138 | K | 84.8 | Confident | 84.7 | Confident | 112 Ų | 112 | 51.4 Ų | 51.4 | 49% | 0.487 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -116.2 | 137.7 | 169.7 | -58.1 | 159.9 | 143.4 | -138.9 | 0 | 108.6 | F136 E140 E141 | F136-K138 WeakPolarHBondContact CB-O 3.43Å; K138-E140 HydrophobicContact CB-CG 3.89Å; K138-E140 HydrophobicContact CD-CG 4.46Å; K138-E140 WeakPolarHBondContact CD-OE1 3.27Å; K138-E140 IonicContact NZ-OE1 3.09Å; K138-E140 PolarHBondContact NZ-OE1 2.97Å; K138-E140 PolarHBondContact O-N 3.34Å; K138-E141 HydrophobicContact CB-CG 4.11Å; K138-E141 WeakPolarHBondContact CB-OE1 3.44Å; K138-E141 WeakPolarHBondContact CD-OE1 3.3Å; K138-E141 WeakPolarHBondContact CG-OE1 3.4Å; K138-E141 PolarHBondContact N-OE1 2.9Å; K138-E141 WeakPolarHBondContact O-CB 3.33Å; K138-E141 PolarHBondContact O-N 3.26Å; K138-E141 VanDerWaalsContact O-N 3.17Å |
| 139 | K | 87.8 | Confident | 85.4 | Confident | 35 Ų | 35 | 47.6 Ų | 47.6 | 15% | 0.152 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -35.1 | 178.7 | -69.6 | 177.2 | 176.9 | 176.9 | 0 | 112.6 | E141 V142 Y167 E186 W187 I190 | K139-E141 VanDerWaalsContact C-N 3.28Å; K139-E141 PolarHBondContact O-N 3.49Å; K139-V142 VanDerWaalsContact O-CG1 3.27Å; K139-V142 WeakPolarHBondContact O-CG1 3.45Å; K139-V142 PolarHBondContact O-N 3.46Å; K139-Y167 HydrophobicContact CD-CD2 4.41Å; K139-Y167 HydrophobicContact CD-CE2 4.5Å; K139-Y167 HydrophobicContact CG-CD2 4.32Å; K139-Y167 HydrophobicContact CG-CE2 3.94Å; K139-E186 IonicContact NZ-OE1 3.49Å; K139-E186 PolarHBondContact NZ-OE1 3.44Å; K139-E186 IonicContact NZ-OE2 2.78Å; K139-E186 PolarHBondContact NZ-OE2 2.91Å; K139-W187 HydrophobicContact CB-CH2 4.22Å; K139-W187 HydrophobicContact CB-CZ3 4.46Å; K139-W187 HydrophobicContact CD-CZ2 4.3Å; K139-W187 HydrophobicContact CG-CH2 4.44Å; K139-I190 HydrophobicContact CB-CD1 3.93Å; K139-I190 HydrophobicContact CB-CG2 4.3Å; K139-I190 HydrophobicContact CD-CD1 3.59Å; K139-I190 HydrophobicContact CG-CD1 4.39Å |
| 140 | E | 88.9 | Confident | 86.1 | Confident | 36 Ų | 36 | 52.5 Ų | 52.5 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.4 | 179.5 | 69.4 | -157.5 | -178.1 | 0 | 0 | 114.8 | K138 V142 F143 I190 K193 Y194 | K138-E140 HydrophobicContact CB-CG 3.89Å; K138-E140 HydrophobicContact CD-CG 4.46Å; K138-E140 WeakPolarHBondContact CD-OE1 3.27Å; K138-E140 IonicContact NZ-OE1 3.09Å; K138-E140 PolarHBondContact NZ-OE1 2.97Å; K138-E140 PolarHBondContact O-N 3.34Å; E140-V142 PolarHBondContact O-N 2.99Å; E140-F143 PolarHBondContact O-N 3.49Å; E140-I190 HydrophobicContact CB-CG2 4.06Å; E140-K193 IonicContact OE1-NZ 3.26Å; E140-K193 IonicContact OE2-NZ 2.81Å; E140-K193 PolarHBondContact OE2-NZ 3.36Å; E140-Y194 HydrophobicContact CB-CD2 4.25Å |
| 141 | E | 88.2 | Confident | 86.9 | Confident | 60 Ų | 60 | 51 Ų | 51 | 28% | 0.28 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.3 | -30.1 | 178 | -72.9 | 159.8 | -160.2 | 0 | 0 | 112.2 | F136 S137 K138 K139 F143 G144 Y145 | F136-E141 HydrophobicContact CB-CB 4.01Å; F136-E141 WeakPolarHBondContact CB-OE2 3.29Å; F136-E141 HydrophobicContact CD1-CB 3.66Å; F136-E141 WeakPolarHBondContact CD1-OE2 3.2Å; F136-E141 HydrophobicContact CE1-CB 4.43Å; F136-E141 HydrophobicContact CG-CB 3.95Å; S137-E141 PolarHBondContact N-OE2 3.05Å; S137-E141 PolarHBondContact OG-OE1 2.97Å; K138-E141 HydrophobicContact CB-CG 4.11Å; K138-E141 WeakPolarHBondContact CB-OE1 3.44Å; K138-E141 WeakPolarHBondContact CD-OE1 3.3Å; K138-E141 WeakPolarHBondContact CG-OE1 3.4Å; K138-E141 PolarHBondContact N-OE1 2.9Å; K138-E141 WeakPolarHBondContact O-CB 3.33Å; K138-E141 PolarHBondContact O-N 3.26Å; K138-E141 VanDerWaalsContact O-N 3.17Å; K139-E141 VanDerWaalsContact C-N 3.28Å; K139-E141 PolarHBondContact O-N 3.49Å; E141-F143 VanDerWaalsContact C-N 3.28Å; E141-F143 PolarHBondContact O-N 3.07Å; E141-G144 PolarHBondContact O-N 2.93Å; E141-Y145 WeakPolarHBondContact O-CD2 3.42Å |
| 142 | V | 91.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.5 | -35.8 | -174.4 | 78.5 | 0 | 0 | 0 | 0 | 112.7 | F136 K139 E140 G144 Y145 L146 L159 W187 | F136-V142 HydrophobicContact CD2-CB 4.02Å; F136-V142 HydrophobicContact CD2-CG2 4.11Å; F136-V142 HydrophobicContact CE2-CB 4.13Å; F136-V142 HydrophobicContact CE2-CG2 3.86Å; K139-V142 VanDerWaalsContact O-CG1 3.27Å; K139-V142 WeakPolarHBondContact O-CG1 3.45Å; K139-V142 PolarHBondContact O-N 3.46Å; E140-V142 PolarHBondContact O-N 2.99Å; V142-G144 VanDerWaalsContact C-N 3.31Å; V142-G144 PolarHBondContact O-N 3.29Å; V142-Y145 PolarHBondContact O-N 3.15Å; V142-L146 HydrophobicContact CG1-CD1 4.31Å; V142-L146 HydrophobicContact CG2-CD1 3.89Å; V142-L146 HydrophobicContact CG2-CG 4.18Å; V142-L146 WeakPolarHBondContact O-CB 3.29Å; V142-L146 VanDerWaalsContact O-CG 3.26Å; V142-L146 WeakPolarHBondContact O-CG 3.39Å; V142-L146 PolarHBondContact O-N 2.91Å; V142-L159 HydrophobicContact CG2-CD2 3.58Å; V142-L159 HydrophobicContact CG2-CG 4.11Å; V142-W187 HydrophobicContact CG1-CZ3 4.44Å |
| 143 | F | 94.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.7 | -33.1 | -177.7 | -63.1 | -49.7 | 0 | 0 | 0 | 112.9 | E140 E141 A147 I160 W187 I190 I191 Y194 N237 L240 | E140-F143 PolarHBondContact O-N 3.49Å; E141-F143 VanDerWaalsContact C-N 3.28Å; E141-F143 PolarHBondContact O-N 3.07Å; F143-A147 WeakPolarHBondContact O-CB 3.49Å; F143-A147 PolarHBondContact O-N 2.65Å; F143-A147 VanDerWaalsContact O-N 3.09Å; F143-I160 HydrophobicContact CE1-CD1 3.86Å; F143-W187 HydrophobicContact CZ-CE3 4.41Å; F143-W187 HydrophobicContact CZ-CZ3 4.43Å; F143-I190 HydrophobicContact CE2-CG2 3.96Å; F143-I191 HydrophobicContact CE1-CB 4.46Å; F143-I191 HydrophobicContact CE1-CD1 3.83Å; F143-I191 HydrophobicContact CE1-CG1 3.96Å; F143-I191 HydrophobicContact CE2-CB 4.07Å; F143-I191 HydrophobicContact CE2-CG1 4.07Å; F143-I191 HydrophobicContact CZ-CB 3.68Å; F143-I191 HydrophobicContact CZ-CD1 3.92Å; F143-I191 HydrophobicContact CZ-CG1 3.62Å; F143-Y194 HydrophobicContact CB-CD1 3.77Å; F143-Y194 HydrophobicContact CB-CD2 4.22Å; F143-Y194 HydrophobicContact CB-CE1 3.6Å; F143-Y194 HydrophobicContact CB-CE2 4.02Å; F143-Y194 HydrophobicContact CB-CG 4.09Å; F143-Y194 AromaticContact CD2-CD1 3.99Å; F143-Y194 HydrophobicContact CD2-CD1 3.99Å; F143-Y194 AromaticContact CD2-CD2 3.95Å; F143-Y194 HydrophobicContact CD2-CD2 3.95Å; F143-Y194 AromaticContact CD2-CG 3.62Å; F143-Y194 HydrophobicContact CD2-CG 3.62Å; F143-Y194 HydrophobicContact CE2-CG 4.47Å; F143-Y194 HydrophobicContact CG-CD1 4.19Å; F143-Y194 HydrophobicContact CG-CE1 4.5Å; F143-Y194 HydrophobicContact CG-CG 4.26Å; F143-N237 WeakPolarHBondContact CB-OD1 3.33Å; F143-N237 VanDerWaalsContact CD1-OD1 3.32Å; F143-N237 WeakPolarHBondContact CD1-OD1 3.27Å; F143-N237 PolarHBondContact O-ND2 2.95Å; F143-L240 HydrophobicContact CD1-CD2 4.07Å; F143-L240 HydrophobicContact CE1-CD2 4.18Å |
| 144 | G | 91.4 | Very high | 88.8 | Confident | 18 Ų | 18 | 49.2 Ų | 49.2 | 19% | 0.186 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.6 | -42 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | E141 V142 K148 Y194 | E141-G144 PolarHBondContact O-N 2.93Å; V142-G144 VanDerWaalsContact C-N 3.31Å; V142-G144 PolarHBondContact O-N 3.29Å; G144-K148 WeakPolarHBondContact O-CB 3.49Å; G144-K148 PolarHBondContact O-N 3.23Å; G144-Y194 WeakPolarHBondContact CA-OH 3.01Å; G144-Y194 PolarHBondContact N-OH 3.15Å |
| 145 | Y | 91.6 | Very high | 89.2 | Confident | 51 Ų | 51 | 51.2 Ų | 51.2 | 20% | 0.2 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.5 | -43.1 | 176.4 | -73.6 | -95.6 | 0 | 0 | 0 | 112.1 | Q110 I113 F117 F136 E141 V142 A147 K148 Y149 | Q110-Y145 PolarHBondContact NE2-OH 3.01Å; I113-Y145 HydrophobicContact CG2-CD1 4.19Å; I113-Y145 HydrophobicContact CG2-CE1 3.93Å; F117-Y145 HydrophobicContact CD2-CD1 4.32Å; F117-Y145 HydrophobicContact CE2-CD1 4.43Å; F117-Y145 HydrophobicContact CE2-CG 4.38Å; F117-Y145 HydrophobicContact CZ-CG 4.41Å; F136-Y145 HydrophobicContact CD1-CD2 4.45Å; F136-Y145 HydrophobicContact CD1-CE2 4.31Å; F136-Y145 AromaticContact CE1-CD2 3.47Å; F136-Y145 HydrophobicContact CE1-CD2 3.47Å; F136-Y145 VanDerWaalsContact CE1-CD2 3.47Å; F136-Y145 AromaticContact CE1-CE2 3.46Å; F136-Y145 HydrophobicContact CE1-CE2 3.46Å; F136-Y145 VanDerWaalsContact CE1-CE2 3.46Å; F136-Y145 HydrophobicContact CE1-CG 4.14Å; F136-Y145 AromaticContact CZ-CD2 3.72Å; F136-Y145 HydrophobicContact CZ-CD2 3.72Å; F136-Y145 HydrophobicContact CZ-CE2 4.16Å; F136-Y145 AromaticContact CZ-CG 3.98Å; F136-Y145 HydrophobicContact CZ-CG 3.98Å; E141-Y145 WeakPolarHBondContact O-CD2 3.42Å; V142-Y145 PolarHBondContact O-N 3.15Å; Y145-A147 VanDerWaalsContact C-N 3.32Å; Y145-A147 PolarHBondContact O-N 3.48Å; Y145-K148 PolarHBondContact O-N 3.18Å; Y145-Y149 HydrophobicContact CD1-CE2 4.31Å; Y145-Y149 WeakPolarHBondContact O-CD2 3.43Å; Y145-Y149 PolarHBondContact O-N 3.45Å |
| 146 | L | 94 | Very high | 89.8 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.9 | -44.3 | 177.5 | -73.8 | 170 | 0 | 0 | 0 | 111.9 | F117 L120 V142 T150 V151 A156 L159 I160 Y236 L240 | F117-L146 HydrophobicContact CE1-CD2 4.03Å; F117-L146 HydrophobicContact CE1-CG 4.24Å; L120-L146 HydrophobicContact CD2-CD2 4.33Å; V142-L146 HydrophobicContact CG1-CD1 4.31Å; V142-L146 HydrophobicContact CG2-CD1 3.89Å; V142-L146 HydrophobicContact CG2-CG 4.18Å; V142-L146 WeakPolarHBondContact O-CB 3.29Å; V142-L146 VanDerWaalsContact O-CG 3.26Å; V142-L146 WeakPolarHBondContact O-CG 3.39Å; V142-L146 PolarHBondContact O-N 2.91Å; L146-T150 PolarHBondContact O-N 2.79Å; L146-T150 VanDerWaalsContact O-N 3.12Å; L146-V151 HydrophobicContact CD2-CB 3.83Å; L146-V151 HydrophobicContact CD2-CG1 3.95Å; L146-V151 HydrophobicContact CD2-CG2 3.98Å; L146-V151 PolarHBondContact O-N 2.64Å; L146-V151 VanDerWaalsContact O-N 3.09Å; L146-A156 HydrophobicContact CD1-CB 4Å; L146-A156 HydrophobicContact CD2-CB 3.61Å; L146-A156 HydrophobicContact CG-CB 4.33Å; L146-L159 HydrophobicContact CD2-CD2 4.04Å; L146-L159 HydrophobicContact CG-CD2 4.48Å; L146-I160 HydrophobicContact CD1-CD1 4.36Å; L146-Y236 HydrophobicContact CB-CE1 3.59Å; L146-L240 HydrophobicContact CD1-CD2 4.01Å |
| 147 | A | 92.9 | Very high | 90.2 | Very high | 11 Ų | 11 | 47.5 Ų | 47.5 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.8 | -47.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F143 Y145 Y149 T150 Q233 Y236 | F143-A147 WeakPolarHBondContact O-CB 3.49Å; F143-A147 PolarHBondContact O-N 2.65Å; F143-A147 VanDerWaalsContact O-N 3.09Å; Y145-A147 VanDerWaalsContact C-N 3.32Å; Y145-A147 PolarHBondContact O-N 3.48Å; A147-Y149 PolarHBondContact O-N 3.45Å; A147-T150 PolarHBondContact O-N 3.35Å; A147-Q233 HydrophobicContact CB-CG 4.12Å; A147-Y236 HydrophobicContact CB-CD1 3.64Å; A147-Y236 HydrophobicContact CB-CE1 4.45Å; A147-Y236 HydrophobicContact CB-CG 3.73Å |
| 148 | K | 92.2 | Very high | 90.6 | Very high | 142 Ų | 142 | 43.2 Ų | 43.2 | 62% | 0.617 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -57.3 | -35.1 | -179.5 | -179.8 | 178.9 | 178.5 | -176.9 | 0 | 113.2 | G144 Y145 | G144-K148 WeakPolarHBondContact O-CB 3.49Å; G144-K148 PolarHBondContact O-N 3.23Å; Y145-K148 PolarHBondContact O-N 3.18Å |
| 149 | Y | 93.2 | Very high | 90.7 | Very high | 42 Ų | 42 | 37.9 Ų | 37.9 | 17% | 0.165 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 6.8 | 178.9 | -72.5 | -85.9 | 0 | 0 | 0 | 113.6 | N114 F117 T118 A121 Y145 A147 V151 | N114-Y149 VanDerWaalsContact CB-OH 3.3Å; N114-Y149 WeakPolarHBondContact CB-OH 3.44Å; N114-Y149 VanDerWaalsContact CG-OH 3.24Å; N114-Y149 PolarHBondContact OD1-OH 2.92Å; F117-Y149 HydrophobicContact CB-CD1 4.11Å; F117-Y149 HydrophobicContact CB-CD2 3.56Å; F117-Y149 HydrophobicContact CB-CE1 4.46Å; F117-Y149 HydrophobicContact CB-CE2 3.96Å; F117-Y149 HydrophobicContact CB-CG 3.66Å; F117-Y149 HydrophobicContact CD1-CD2 4.42Å; F117-Y149 HydrophobicContact CG-CD2 4.17Å; T118-Y149 WeakPolarHBondContact OG1-CE1 3.43Å; A121-Y149 VanDerWaalsContact CB-O 3.32Å; A121-Y149 WeakPolarHBondContact CB-O 3.27Å; Y145-Y149 HydrophobicContact CD1-CE2 4.31Å; Y145-Y149 WeakPolarHBondContact O-CD2 3.43Å; Y145-Y149 PolarHBondContact O-N 3.45Å; A147-Y149 PolarHBondContact O-N 3.45Å; Y149-V151 PolarHBondContact O-N 2.85Å; Y149-V151 VanDerWaalsContact O-N 3.14Å |
| 150 | T | 92.6 | Very high | 90.8 | Very high | 112 Ų | 112 | 36.2 Ų | 36.2 | 69% | 0.687 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 40.4 | 178.6 | 56.6 | 0 | 0 | 0 | 0 | 113.6 | L146 A147 | L146-T150 PolarHBondContact O-N 2.79Å; L146-T150 VanDerWaalsContact O-N 3.12Å; A147-T150 PolarHBondContact O-N 3.35Å |
| 151 | V | 93.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | trans | -63.2 | 134 | -171.1 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | F117 L120 A121 L146 Y149 V153 R155 A156 Y236 | F117-V151 HydrophobicContact CD1-CG2 4.25Å; L120-V151 HydrophobicContact CD2-CG1 3.68Å; L120-V151 HydrophobicContact CD2-CG2 4.25Å; L120-V151 HydrophobicContact CG-CG1 3.79Å; A121-V151 HydrophobicContact CB-CG2 4.1Å; L146-V151 HydrophobicContact CD2-CB 3.83Å; L146-V151 HydrophobicContact CD2-CG1 3.95Å; L146-V151 HydrophobicContact CD2-CG2 3.98Å; L146-V151 PolarHBondContact O-N 2.64Å; L146-V151 VanDerWaalsContact O-N 3.09Å; Y149-V151 PolarHBondContact O-N 2.85Å; Y149-V151 VanDerWaalsContact O-N 3.14Å; V151-V153 PolarHBondContact O-N 3.41Å; V151-R155 HydrophobicContact CG1-CB 3.89Å; V151-A156 HydrophobicContact CG1-CB 4.26Å; V151-Y236 VanDerWaalsContact O-CE2 3.23Å; V151-Y236 WeakPolarHBondContact O-CE2 3.32Å; V151-Y236 PolarHBondContact O-OH 2.89Å | ||
| 152 | P | 92.2 | Very high | 90.2 | Very high | 60 Ų | 60 | 33 Ų | 33 | 39% | 0.39 | 17% | 0.171 | S | C | . | . | trans | -55.5 | 132 | 177.1 | -27.4 | 35.1 | 0 | 0 | 0 | 112.4 | M154 R155 A156 | P152-M154 VanDerWaalsContact C-N 3.25Å; P152-M154 PolarHBondContact O-N 3.45Å; P152-R155 HydrophobicContact CB-CG 4.45Å; P152-R155 WeakPolarHBondContact O-CA 3.19Å; P152-R155 WeakPolarHBondContact O-CB 3.47Å; P152-R155 PolarHBondContact O-N 2.9Å; P152-A156 PolarHBondContact O-N 2.84Å | ||
| 153 | V | 90.2 | Very high | 89.8 | Confident | 44 Ų | 44 | 33.4 Ų | 33.4 | 27% | 0.267 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -55.8 | -33 | -167.7 | -66 | 0 | 0 | 0 | 0 | 114.6 | V151 R155 A156 A157 L240 F243 | V151-V153 PolarHBondContact O-N 3.41Å; V153-R155 VanDerWaalsContact C-N 3.35Å; V153-R155 PolarHBondContact O-N 3.07Å; V153-A156 WeakPolarHBondContact O-CB 3.41Å; V153-A156 PolarHBondContact O-N 3.48Å; V153-A157 WeakPolarHBondContact O-CB 3.29Å; V153-A157 PolarHBondContact O-N 3.38Å; V153-L240 HydrophobicContact CB-CD1 4.31Å; V153-L240 HydrophobicContact CG1-CB 4.47Å; V153-F243 HydrophobicContact CB-CB 4.12Å; V153-F243 HydrophobicContact CB-CG 4.13Å; V153-F243 HydrophobicContact CG2-CB 4.03Å; V153-F243 HydrophobicContact CG2-CD2 3.8Å; V153-F243 HydrophobicContact CG2-CE2 4.49Å; V153-F243 HydrophobicContact CG2-CG 3.84Å |
| 154 | M | 86.3 | Confident | 89.3 | Confident | 122 Ų | 122 | 34 Ų | 34 | 60% | 0.601 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -63.6 | -38.9 | 174.1 | -56.5 | -167.7 | -62.1 | 0 | 0 | 112.4 | P152 W158 F243 | P152-M154 VanDerWaalsContact C-N 3.25Å; P152-M154 PolarHBondContact O-N 3.45Å; M154-W158 WeakPolarHBondContact O-CB 3.29Å; M154-W158 PolarHBondContact O-N 3.16Å; M154-F243 HydrophobicContact CB-CZ 4.29Å; M154-F243 HydrophobicContact CG-CE2 3.75Å; M154-F243 HydrophobicContact CG-CZ 3.7Å |
| 155 | R | 90.3 | Very high | 88.7 | Confident | 45 Ų | 45 | 33.6 Ų | 33.6 | 17% | 0.17 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -74.6 | -32.1 | 176.7 | -62.8 | -171.1 | 163.7 | -132.7 | -8.5 | 112 | L120 G122 T123 K124 L126 V151 P152 V153 W158 L159 | L120-R155 HydrophobicContact CD1-CB 4.08Å; L120-R155 HydrophobicContact CG-CB 4.3Å; L120-R155 WeakPolarHBondContact O-CD 3.3Å; L120-R155 PolarHBondContact O-NH1 2.68Å; G122-R155 PolarHBondContact O-NH1 2.73Å; T123-R155 PolarHBondContact O-NH2 2.8Å; K124-R155 PolarHBondContact O-NH1 3.25Å; K124-R155 PolarHBondContact O-NH2 2.94Å; L126-R155 HydrophobicContact CD2-CG 4.26Å; V151-R155 HydrophobicContact CG1-CB 3.89Å; P152-R155 HydrophobicContact CB-CG 4.45Å; P152-R155 WeakPolarHBondContact O-CA 3.19Å; P152-R155 WeakPolarHBondContact O-CB 3.47Å; P152-R155 PolarHBondContact O-N 2.9Å; V153-R155 VanDerWaalsContact C-N 3.35Å; V153-R155 PolarHBondContact O-N 3.07Å; R155-W158 PolarHBondContact O-N 2.7Å; R155-L159 PolarHBondContact O-N 3.49Å |
| 156 | A | 91 | Very high | 88 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.5 | -48.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L146 V151 P152 V153 W158 L159 I160 Y236 L240 | L146-A156 HydrophobicContact CD1-CB 4Å; L146-A156 HydrophobicContact CD2-CB 3.61Å; L146-A156 HydrophobicContact CG-CB 4.33Å; V151-A156 HydrophobicContact CG1-CB 4.26Å; P152-A156 PolarHBondContact O-N 2.84Å; V153-A156 WeakPolarHBondContact O-CB 3.41Å; V153-A156 PolarHBondContact O-N 3.48Å; A156-W158 VanDerWaalsContact C-N 3.31Å; A156-W158 PolarHBondContact O-N 3.4Å; A156-L159 WeakPolarHBondContact O-CB 3.38Å; A156-L159 PolarHBondContact O-N 2.89Å; A156-L159 VanDerWaalsContact O-N 3.15Å; A156-I160 WeakPolarHBondContact O-CG1 3.32Å; A156-I160 PolarHBondContact O-N 3.3Å; A156-Y236 WeakPolarHBondContact CB-OH 3.32Å; A156-L240 HydrophobicContact CB-CD1 3.72Å; A156-L240 HydrophobicContact CB-CD2 4.19Å |
| 157 | A | 89.1 | Confident | 87.2 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.2 | -39 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | V153 I160 K161 F243 M249 | V153-A157 WeakPolarHBondContact O-CB 3.29Å; V153-A157 PolarHBondContact O-N 3.38Å; A157-I160 PolarHBondContact O-N 2.87Å; A157-K161 WeakPolarHBondContact O-CG 3.37Å; A157-K161 PolarHBondContact O-N 3.01Å; A157-F243 HydrophobicContact CB-CD1 3.84Å; A157-F243 HydrophobicContact CB-CE1 3.59Å; A157-M249 HydrophobicContact CB-SD 4.06Å |
| 158 | W | 86.9 | Confident | 86.4 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 5% | 0.049 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.3 | -43 | 172.4 | 175.6 | 92 | 0 | 0 | 0 | 112.7 | W116 L120 L126 L129 A130 V133 M154 R155 A156 I160 K161 M162 E1693 | W116-W158 HydrophobicContact CH2-CZ3 4.31Å; W116-W158 HydrophobicContact CZ2-CZ3 4.2Å; L120-W158 HydrophobicContact CD1-CE3 4.15Å; L120-W158 HydrophobicContact CD1-CZ3 4.09Å; L126-W158 HydrophobicContact CB-CD2 4.45Å; L126-W158 HydrophobicContact CB-CZ2 3.99Å; L126-W158 HydrophobicContact CD1-CB 4.44Å; L126-W158 HydrophobicContact CD1-CD2 4.12Å; L126-W158 HydrophobicContact CD1-CG 3.89Å; L126-W158 HydrophobicContact CD2-CD2 3.97Å; L126-W158 HydrophobicContact CD2-CE3 3.92Å; L126-W158 HydrophobicContact CD2-CG 4.47Å; L126-W158 HydrophobicContact CD2-CZ3 4.22Å; L126-W158 HydrophobicContact CG-CD2 4.41Å; L129-W158 HydrophobicContact CB-CH2 4.14Å; L129-W158 HydrophobicContact CB-CZ3 4.46Å; A130-W158 HydrophobicContact CB-CH2 4.28Å; A130-W158 HydrophobicContact CB-CZ2 3.97Å; V133-W158 HydrophobicContact CG2-CH2 4.38Å; M154-W158 WeakPolarHBondContact O-CB 3.29Å; M154-W158 PolarHBondContact O-N 3.16Å; R155-W158 PolarHBondContact O-N 2.7Å; A156-W158 VanDerWaalsContact C-N 3.31Å; A156-W158 PolarHBondContact O-N 3.4Å; W158-I160 VanDerWaalsContact C-N 3.33Å; W158-I160 PolarHBondContact O-N 3.21Å; W158-K161 PolarHBondContact O-N 3.31Å; W158-M162 HydrophobicContact CD2-CG 4.06Å; W158-M162 HydrophobicContact CE3-CG 4.31Å; W158-M162 HydrophobicContact CH2-CG 4.1Å; W158-M162 HydrophobicContact CZ2-CG 3.83Å; W158-M162 HydrophobicContact CZ2-SD 4.03Å; W158-M162 HydrophobicContact CZ3-CG 4.33Å; W158-M162 WeakPolarHBondContact O-CB 3.37Å; W158-M162 VanDerWaalsContact O-CG 3.3Å; W158-M162 WeakPolarHBondContact O-CG 3.33Å; W158-M162 PolarHBondContact O-N 2.87Å; W158-E1693 PolarHBondContact NE1-O 3.23Å |
| 159 | L | 87.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.8 | -39 | 173.1 | 171.4 | 59.7 | 0 | 0 | 0 | 111.7 | W116 F117 L120 V133 V142 L146 R155 A156 M162 T163 | W116-L159 HydrophobicContact CH2-CD1 3.9Å; W116-L159 HydrophobicContact CH2-CD2 4.26Å; W116-L159 HydrophobicContact CZ3-CD1 4.35Å; W116-L159 HydrophobicContact CZ3-CD2 4.05Å; F117-L159 HydrophobicContact CE1-CD2 3.82Å; F117-L159 HydrophobicContact CZ-CD2 3.7Å; L120-L159 HydrophobicContact CD2-CB 4.33Å; L120-L159 HydrophobicContact CD2-CD2 4.12Å; V133-L159 HydrophobicContact CG1-CD1 3.4Å; V133-L159 VanDerWaalsContact CG1-CD1 3.4Å; V142-L159 HydrophobicContact CG2-CD2 3.58Å; V142-L159 HydrophobicContact CG2-CG 4.11Å; L146-L159 HydrophobicContact CD2-CD2 4.04Å; L146-L159 HydrophobicContact CG-CD2 4.48Å; R155-L159 PolarHBondContact O-N 3.49Å; A156-L159 WeakPolarHBondContact O-CB 3.38Å; A156-L159 PolarHBondContact O-N 2.89Å; A156-L159 VanDerWaalsContact O-N 3.15Å; L159-M162 PolarHBondContact O-N 3.27Å; L159-T163 WeakPolarHBondContact O-CB 3.49Å; L159-T163 PolarHBondContact O-N 3.24Å; L159-T163 PolarHBondContact O-OG1 3.46Å |
| 160 | I | 89.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.7 | -43.8 | 176.9 | -70.3 | 167.6 | 0 | 0 | 0 | 111.1 | F143 L146 A156 A157 W158 T163 C164 W187 L240 M244 M249 W1689 | F143-I160 HydrophobicContact CE1-CD1 3.86Å; L146-I160 HydrophobicContact CD1-CD1 4.36Å; A156-I160 WeakPolarHBondContact O-CG1 3.32Å; A156-I160 PolarHBondContact O-N 3.3Å; A157-I160 PolarHBondContact O-N 2.87Å; W158-I160 VanDerWaalsContact C-N 3.33Å; W158-I160 PolarHBondContact O-N 3.21Å; I160-T163 PolarHBondContact O-N 3.26Å; I160-C164 WeakPolarHBondContact O-CB 3.42Å; I160-C164 PolarHBondContact O-N 2.92Å; I160-W187 HydrophobicContact CG1-CZ3 4.26Å; I160-W187 HydrophobicContact CG2-CD2 3.79Å; I160-W187 HydrophobicContact CG2-CE3 3.74Å; I160-W187 HydrophobicContact CG2-CG 4.41Å; I160-W187 HydrophobicContact CG2-CH2 4.07Å; I160-W187 HydrophobicContact CG2-CZ2 4.12Å; I160-W187 HydrophobicContact CG2-CZ3 3.89Å; I160-L240 HydrophobicContact CD1-CD2 4.01Å; I160-M244 HydrophobicContact CD1-CE 4.16Å; I160-M244 HydrophobicContact CD1-SD 3.71Å; I160-M244 HydrophobicContact CG2-CE 3.92Å; I160-M249 HydrophobicContact CG2-CE 4.06Å; I160-W1689 HydrophobicContact CG2-CH2 3.8Å; I160-W1689 HydrophobicContact CG2-CZ3 3.89Å |
| 161 | K | 85.5 | Confident | 83.4 | Confident | 17 Ų | 17 | 30.7 Ų | 30.7 | 7% | 0.074 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61 | -45.1 | 172.9 | -67.5 | -175 | -169.8 | -170.6 | 0 | 111.7 | A157 W158 T163 C164 A165 D247 M249 P1688 W1689 F1692 | A157-K161 WeakPolarHBondContact O-CG 3.37Å; A157-K161 PolarHBondContact O-N 3.01Å; W158-K161 PolarHBondContact O-N 3.31Å; K161-T163 VanDerWaalsContact C-N 3.35Å; K161-T163 PolarHBondContact O-N 2.92Å; K161-C164 PolarHBondContact O-N 3.26Å; K161-A165 WeakPolarHBondContact O-CB 3.38Å; K161-A165 PolarHBondContact O-N 3.39Å; K161-D247 IonicContact NZ-OD2 3.72Å; K161-D247 PolarHBondContact NZ-OD2 2.78Å; K161-M249 HydrophobicContact CD-CE 4.23Å; K161-M249 HydrophobicContact CD-SD 4.46Å; K161-M249 WeakPolarHBondContact CE-SD 3.44Å; K161-M249 HydrophobicContact CG-CE 3.56Å; K161-M249 HydrophobicContact CG-SD 4.39Å; K161-P1688 WeakPolarHBondContact CE-O 3.46Å; K161-P1688 PolarHBondContact NZ-O 2.94Å; K161-W1689 HydrophobicContact CG-CE3 4.1Å; K161-W1689 HydrophobicContact CG-CZ3 4.29Å; K161-F1692 HydrophobicContact CB-CD1 4.26Å; K161-F1692 HydrophobicContact CB-CE1 3.86Å |
| 162 | M | 79 | Confident | 82.1 | Confident | 11 Ų | 11 | 36.6 Ų | 36.6 | 5% | 0.054 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59 | -42.7 | 173.6 | -74.4 | -78.4 | 103 | 0 | 0 | 112.4 | F102 W158 L159 A165 Y166 F1692 | F102-M162 HydrophobicContact CE1-CE 3.88Å; F102-M162 HydrophobicContact CE1-SD 4.22Å; F102-M162 HydrophobicContact CZ-CE 4.36Å; W158-M162 HydrophobicContact CD2-CG 4.06Å; W158-M162 HydrophobicContact CE3-CG 4.31Å; W158-M162 HydrophobicContact CH2-CG 4.1Å; W158-M162 HydrophobicContact CZ2-CG 3.83Å; W158-M162 HydrophobicContact CZ2-SD 4.03Å; W158-M162 HydrophobicContact CZ3-CG 4.33Å; W158-M162 WeakPolarHBondContact O-CB 3.37Å; W158-M162 VanDerWaalsContact O-CG 3.3Å; W158-M162 WeakPolarHBondContact O-CG 3.33Å; W158-M162 PolarHBondContact O-N 2.87Å; L159-M162 PolarHBondContact O-N 3.27Å; M162-A165 PolarHBondContact O-N 3.4Å; M162-Y166 PolarHBondContact O-N 3.01Å; M162-F1692 HydrophobicContact CE-CB 4.41Å; M162-F1692 HydrophobicContact CE-CD1 3.3Å; M162-F1692 HydrophobicContact CE-CE1 3.75Å; M162-F1692 HydrophobicContact CE-CG 4.03Å |
| 163 | T | 83.3 | Confident | 80.8 | Confident | 9 Ų | 9 | 37 Ų | 37 | 6% | 0.055 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.6 | -42.7 | 178.7 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | L159 I160 K161 Y166 Y167 W187 | L159-T163 WeakPolarHBondContact O-CB 3.49Å; L159-T163 PolarHBondContact O-N 3.24Å; L159-T163 PolarHBondContact O-OG1 3.46Å; I160-T163 PolarHBondContact O-N 3.26Å; K161-T163 VanDerWaalsContact C-N 3.35Å; K161-T163 PolarHBondContact O-N 2.92Å; T163-Y166 PolarHBondContact O-N 3.4Å; T163-Y167 HydrophobicContact CG2-CD2 3.87Å; T163-Y167 HydrophobicContact CG2-CE2 3.82Å; T163-Y167 VanDerWaalsContact O-CD2 3.27Å; T163-Y167 WeakPolarHBondContact O-CD2 3.47Å; T163-Y167 PolarHBondContact O-N 3.37Å; T163-Y167 VanDerWaalsContact O-N 3.07Å; T163-W187 HydrophobicContact CG2-CH2 3.94Å; T163-W187 HydrophobicContact CG2-CZ2 4.01Å |
| 164 | C | 84.1 | Confident | 79.3 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 10% | 0.095 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.4 | -47.4 | 174.7 | -172.4 | 0 | 0 | 0 | 0 | 111.7 | I160 K161 Y166 Y167 A168 W187 W1689 | I160-C164 WeakPolarHBondContact O-CB 3.42Å; I160-C164 PolarHBondContact O-N 2.92Å; K161-C164 PolarHBondContact O-N 3.26Å; C164-Y166 VanDerWaalsContact C-N 3.33Å; C164-Y166 PolarHBondContact O-N 2.91Å; C164-Y167 PolarHBondContact O-N 2.95Å; C164-Y167 VanDerWaalsContact O-N 3.17Å; C164-A168 PolarHBondContact O-N 3.22Å; C164-W187 HydrophobicContact CB-CZ2 4.33Å; C164-W1689 HydrophobicContact CB-CE3 3.87Å; C164-W1689 HydrophobicContact CB-CZ3 3.66Å |
| 165 | A | 77.3 | Confident | 77.6 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 7% | 0.066 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.8 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F102 K161 M162 A168 A169 F1692 | F102-A165 HydrophobicContact CE1-CB 4.13Å; F102-A165 HydrophobicContact CZ-CB 4.12Å; K161-A165 WeakPolarHBondContact O-CB 3.38Å; K161-A165 PolarHBondContact O-N 3.39Å; M162-A165 PolarHBondContact O-N 3.4Å; A165-A168 PolarHBondContact O-N 3.28Å; A165-A169 PolarHBondContact O-N 2.91Å; A165-F1692 HydrophobicContact CB-CE1 4.05Å; A165-F1692 HydrophobicContact CB-CZ 3.81Å |
| 166 | Y | 77 | Confident | 75.8 | Confident | 53 Ų | 53 | 49.8 Ų | 49.8 | 21% | 0.208 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 173.6 | 168.6 | -100.7 | 0 | 0 | 0 | 112.6 | L104 I135 M162 T163 C164 A168 A169 M170 | L104-Y166 HydrophobicContact CB-CD2 4.23Å; L104-Y166 HydrophobicContact CB-CE2 4.46Å; L104-Y166 HydrophobicContact CD1-CD2 3.51Å; L104-Y166 HydrophobicContact CD1-CE2 4.49Å; L104-Y166 HydrophobicContact CD1-CG 4.01Å; I135-Y166 HydrophobicContact CD1-CD1 3.96Å; I135-Y166 HydrophobicContact CD1-CD2 3.72Å; I135-Y166 HydrophobicContact CD1-CE1 3.81Å; I135-Y166 HydrophobicContact CD1-CE2 3.52Å; I135-Y166 HydrophobicContact CD1-CG 3.9Å; I135-Y166 HydrophobicContact CG2-CD1 3.97Å; I135-Y166 HydrophobicContact CG2-CE1 3.51Å; M162-Y166 PolarHBondContact O-N 3.01Å; T163-Y166 PolarHBondContact O-N 3.4Å; C164-Y166 VanDerWaalsContact C-N 3.33Å; C164-Y166 PolarHBondContact O-N 2.91Å; Y166-A168 VanDerWaalsContact C-N 3.31Å; Y166-A168 PolarHBondContact O-N 3.11Å; Y166-A169 PolarHBondContact O-N 3.47Å; Y166-M170 HydrophobicContact CD2-CE 4.37Å; Y166-M170 HydrophobicContact CE2-CE 3.52Å; Y166-M170 VanDerWaalsContact O-CB 3.32Å; Y166-M170 WeakPolarHBondContact O-CB 3.23Å; Y166-M170 PolarHBondContact O-N 2.9Å |
| 167 | Y | 78.4 | Confident | 74 | Confident | 66 Ų | 66 | 60.7 Ų | 60.7 | 26% | 0.259 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.6 | -31.9 | 179.6 | -82.6 | -69.6 | 0 | 0 | 0 | 112.4 | F136 K139 T163 C164 S171 | F136-Y167 PolarHBondContact O-OH 2.99Å; K139-Y167 HydrophobicContact CD-CD2 4.41Å; K139-Y167 HydrophobicContact CD-CE2 4.5Å; K139-Y167 HydrophobicContact CG-CD2 4.32Å; K139-Y167 HydrophobicContact CG-CE2 3.94Å; T163-Y167 HydrophobicContact CG2-CD2 3.87Å; T163-Y167 HydrophobicContact CG2-CE2 3.82Å; T163-Y167 VanDerWaalsContact O-CD2 3.27Å; T163-Y167 WeakPolarHBondContact O-CD2 3.47Å; T163-Y167 PolarHBondContact O-N 3.37Å; T163-Y167 VanDerWaalsContact O-N 3.07Å; C164-Y167 PolarHBondContact O-N 2.95Å; C164-Y167 VanDerWaalsContact O-N 3.17Å; Y167-S171 WeakPolarHBondContact O-CB 3.45Å; Y167-S171 PolarHBondContact O-N 3.31Å; Y167-S171 VanDerWaalsContact O-N 3.09Å |
| 168 | A | 76.3 | Confident | 72.2 | Confident | 31 Ų | 31 | 69.8 Ų | 69.8 | 26% | 0.256 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.7 | -54.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111 | C164 A165 Y166 M170 S171 E172 | C164-A168 PolarHBondContact O-N 3.22Å; A165-A168 PolarHBondContact O-N 3.28Å; Y166-A168 VanDerWaalsContact C-N 3.31Å; Y166-A168 PolarHBondContact O-N 3.11Å; A168-M170 VanDerWaalsContact C-N 3.26Å; A168-M170 PolarHBondContact O-N 3.34Å; A168-S171 WeakPolarHBondContact O-CA 3.47Å; A168-S171 WeakPolarHBondContact O-CB 3.31Å; A168-S171 PolarHBondContact O-N 2.81Å; A168-S171 PolarHBondContact O-OG 3.29Å; A168-E172 PolarHBondContact O-N 2.71Å |
| 169 | A | 71.2 | Confident | 70.8 | Confident | 20 Ų | 20 | 76.7 Ų | 76.7 | 17% | 0.165 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -54.3 | -41.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q98 A165 Y166 S171 T173 | Q98-A169 HydrophobicContact CB-CB 4.05Å; Q98-A169 VanDerWaalsContact OE1-N 3.11Å; A165-A169 PolarHBondContact O-N 2.91Å; Y166-A169 PolarHBondContact O-N 3.47Å; A169-S171 PolarHBondContact O-N 3.03Å; A169-T173 WeakPolarHBondContact O-CG2 3.13Å; A169-T173 PolarHBondContact O-N 2.72Å; A169-T173 PolarHBondContact O-OG1 3.24Å |
| 170 | M | 72.2 | Confident | 69.6 | Low | 70 Ų | 70 | 82.2 Ų | 82.2 | 35% | 0.345 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -75.7 | -12.7 | -179.3 | -157.6 | 56 | 56.9 | 0 | 0 | 113.4 | Y166 A168 T173 | Y166-M170 HydrophobicContact CD2-CE 4.37Å; Y166-M170 HydrophobicContact CE2-CE 3.52Å; Y166-M170 VanDerWaalsContact O-CB 3.32Å; Y166-M170 WeakPolarHBondContact O-CB 3.23Å; Y166-M170 PolarHBondContact O-N 2.9Å; A168-M170 VanDerWaalsContact C-N 3.26Å; A168-M170 PolarHBondContact O-N 3.34Å; M170-T173 WeakPolarHBondContact CA-OG1 3.43Å |
| 171 | S | 71.1 | Confident | 68.7 | Low | 57 Ų | 57 | 84.7 Ų | 84.7 | 40% | 0.399 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -90.7 | -44.8 | 171.5 | 75.5 | 0 | 0 | 0 | 0 | 111.9 | Y167 A168 A169 T173 K174 | Y167-S171 WeakPolarHBondContact O-CB 3.45Å; Y167-S171 PolarHBondContact O-N 3.31Å; Y167-S171 VanDerWaalsContact O-N 3.09Å; A168-S171 WeakPolarHBondContact O-CA 3.47Å; A168-S171 WeakPolarHBondContact O-CB 3.31Å; A168-S171 PolarHBondContact O-N 2.81Å; A168-S171 PolarHBondContact O-OG 3.29Å; A169-S171 PolarHBondContact O-N 3.03Å; S171-T173 PolarHBondContact O-N 3.38Å; S171-K174 PolarHBondContact O-N 2.9Å |
| 172 | E | 66.5 | Low | 68.5 | Low | 125 Ų | 125 | 87 Ų | 87 | 58% | 0.584 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.8 | -32.6 | 176.7 | -68.2 | -169.2 | 160.6 | 0 | 0 | 112.3 | A168 K174 | A168-E172 PolarHBondContact O-N 2.71Å; E172-K174 PolarHBondContact O-N 3.26Å |
| 173 | T | 65 | Low | 68.8 | Low | 70 Ų | 70 | 88.1 Ų | 88.1 | 43% | 0.429 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -4.1 | 177.1 | 46.2 | 0 | 0 | 0 | 0 | 114.7 | A169 M170 S171 | A169-T173 WeakPolarHBondContact O-CG2 3.13Å; A169-T173 PolarHBondContact O-N 2.72Å; A169-T173 PolarHBondContact O-OG1 3.24Å; M170-T173 WeakPolarHBondContact CA-OG1 3.43Å; S171-T173 PolarHBondContact O-N 3.38Å |
| 174 | K | 57.4 | Low | 69 | Low | 144 Ų | 144 | 88.3 Ų | 88.3 | 63% | 0.626 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -112.4 | 103.5 | 177 | -71 | 179.4 | -179 | 175.8 | 0 | 110.4 | S171 E172 K176 | S171-K174 PolarHBondContact O-N 2.9Å; E172-K174 PolarHBondContact O-N 3.26Å; K174-K176 VanDerWaalsContact C-N 3.25Å; K174-K176 PolarHBondContact O-N 3.03Å |
| 175 | V | 52.3 | Low | 69.2 | Low | 145 Ų | 145 | 89.4 Ų | 89.4 | 88% | 0.879 | 46% | 0.463 | S | S | * | . | trans | -74.4 | 61.6 | -166.7 | -162.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 176 | K | 51.5 | Low | 69.8 | Low | 190 Ų | 190 | 91.5 Ų | 91.5 | 83% | 0.826 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -135.5 | 118.5 | 165 | -76.1 | -169.2 | 174.3 | -176.4 | 0 | 109.8 | K174 K178 | K174-K176 VanDerWaalsContact C-N 3.25Å; K174-K176 PolarHBondContact O-N 3.03Å; K176-K178 PolarHBondContact O-N 3.5Å |
| 177 | K | 52.8 | Low | 70.5 | Confident | 228 Ų | 228 | 89 Ų | 89 | 99% | 0.991 | 46% | 0.462 | S | S | * | . | trans | -57.9 | 104 | 174 | -73.6 | -177.6 | 176.2 | -179.6 | 0 | 110.3 | ||||
| 178 | K | 51.7 | Low | 71.2 | Confident | 194 Ų | 194 | 85.8 Ų | 85.8 | 84% | 0.843 | 45% | 0.449 | S | S | * | . | trans | -128.6 | 147.1 | 160.4 | -152.5 | 175.5 | -174.4 | -175.7 | 0 | 105.9 | K176 T180 | K176-K178 PolarHBondContact O-N 3.5Å; K178-T180 PolarHBondContact O-N 2.92Å; K178-T180 VanDerWaalsContact O-N 3.15Å | ||
| 179 | N | 57.3 | Low | 72 | Confident | 159 Ų | 159 | 89.2 Ų | 89.2 | 85% | 0.85 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 125.8 | -178.9 | -84 | 7.4 | 0 | 0 | 0 | 110.1 | A181 | N179-A181 PolarHBondContact O-N 3.33Š|
| 180 | T | 62.5 | Low | 73.1 | Confident | 115 Ų | 115 | 89.4 Ų | 89.4 | 71% | 0.706 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 119.4 | 165.7 | -45.7 | 0 | 0 | 0 | 0 | 107 | K178 D182 | K178-T180 PolarHBondContact O-N 2.92Å; K178-T180 VanDerWaalsContact O-N 3.15Å; T180-D182 PolarHBondContact O-N 2.87Å |
| 181 | A | 70.2 | Confident | 74.2 | Confident | 53 Ų | 53 | 86.1 Ų | 86.1 | 44% | 0.438 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 131.2 | 178 | 0 | 0 | 0 | 0 | 0 | 108.8 | N179 P183 E186 | N179-A181 PolarHBondContact O-N 3.33Å; A181-P183 WeakPolarHBondContact O-CD 3.32Å; A181-E186 HydrophobicContact CB-CB 4.37Å; A181-E186 HydrophobicContact CB-CG 4.39Å |
| 182 | D | 81.9 | Confident | 75.3 | Confident | 65 Ų | 65 | 84 Ų | 84 | 35% | 0.348 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 120.7 | -179.1 | 179.8 | 44.9 | 0 | 0 | 0 | 109.9 | T180 F184 T185 E186 K1644 | T180-D182 PolarHBondContact O-N 2.87Å; D182-F184 PolarHBondContact O-N 3.36Å; D182-F184 VanDerWaalsContact O-N 3.15Å; D182-F184 WeakPolarHBondContact OD1-CD2 3.45Å; D182-T185 PolarHBondContact O-N 2.92Å; D182-E186 WeakPolarHBondContact O-CB 3.45Å; D182-E186 PolarHBondContact O-N 2.71Å; D182-K1644 IonicContact OD2-NZ 3.69Å; D182-K1644 PolarHBondContact OD2-NZ 3.04Å |
| 183 | P | 85.7 | Confident | 76.6 | Confident | 35 Ų | 35 | 82.3 Ų | 82.3 | 23% | 0.227 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -56.4 | -33.9 | -173.4 | -30.6 | 38 | 0 | 0 | 0 | 114.7 | A181 W187 W1689 | A181-P183 WeakPolarHBondContact O-CD 3.32Å; P183-W187 WeakPolarHBondContact O-CB 3.39Å; P183-W187 PolarHBondContact O-N 3.28Å; P183-W1689 HydrophobicContact CB-CD2 3.7Å; P183-W1689 HydrophobicContact CB-CE3 4.28Å; P183-W1689 HydrophobicContact CB-CG 3.83Å; P183-W1689 HydrophobicContact CB-CZ2 4.31Å |
| 184 | F | 87.6 | Confident | 78 | Confident | 12 Ų | 12 | 80 Ų | 80 | 5% | 0.053 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.4 | -56.3 | 178.4 | -57.2 | -98.9 | 0 | 0 | 0 | 110.9 | D182 T188 G248 M249 D251 K1644 S1687 W1689 | D182-F184 PolarHBondContact O-N 3.36Å; D182-F184 VanDerWaalsContact O-N 3.15Å; D182-F184 WeakPolarHBondContact OD1-CD2 3.45Å; F184-T188 WeakPolarHBondContact O-CB 3.26Å; F184-T188 PolarHBondContact O-N 3.01Å; F184-T188 PolarHBondContact O-OG1 3.27Å; F184-G248 WeakPolarHBondContact CE1-O 3.38Å; F184-M249 WeakPolarHBondContact CA-O 3.31Å; F184-M249 WeakPolarHBondContact CD1-O 3.49Å; F184-D251 HydrophobicContact CB-CB 4.23Å; F184-K1644 HydrophobicContact CB-CD 4.32Å; F184-K1644 HydrophobicContact CD2-CD 4.16Å; F184-K1644 HydrophobicContact CG-CD 4.14Å; F184-S1687 WeakPolarHBondContact CZ-OG 3.42Å; F184-W1689 AromaticContact CD1-NE1 3.84Å; F184-W1689 AromaticContact CE1-CD1 3.99Å; F184-W1689 AromaticContact CE2-CD1 3.99Å; F184-W1689 AromaticContact CG-NE1 3.91Å; F184-W1689 AromaticContact CZ-CD1 3.91Å |
| 185 | T | 86.6 | Confident | 79.7 | Confident | 37 Ų | 37 | 73.3 Ų | 73.3 | 23% | 0.227 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 179 | -73.8 | 0 | 0 | 0 | 0 | 112 | D182 T188 Q189 E254 | D182-T185 PolarHBondContact O-N 2.92Å; T185-T188 PolarHBondContact O-N 3.09Å; T185-Q189 HydrophobicContact CG2-CG 4.48Å; T185-Q189 WeakPolarHBondContact O-CB 3.33Å; T185-Q189 VanDerWaalsContact O-CG 3.32Å; T185-Q189 WeakPolarHBondContact O-CG 3.35Å; T185-Q189 PolarHBondContact O-N 2.88Å; T185-E254 WeakPolarHBondContact CA-OE2 3.33Å; T185-E254 WeakPolarHBondContact CB-OE2 3.28Å; T185-E254 WeakPolarHBondContact CG2-OE2 3.47Å; T185-E254 PolarHBondContact OG1-OE2 2.91Å; T185-E254 VanDerWaalsContact OG1-OE2 3.06Å |
| 186 | E | 89.9 | Confident | 81.6 | Confident | 52 Ų | 52 | 69.6 Ų | 69.6 | 24% | 0.243 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.1 | -49.3 | -179.6 | -164.2 | -164.9 | -146.5 | 0 | 0 | 111.7 | K139 A181 D182 Q189 I190 | K139-E186 IonicContact NZ-OE1 3.49Å; K139-E186 PolarHBondContact NZ-OE1 3.44Å; K139-E186 IonicContact NZ-OE2 2.78Å; K139-E186 PolarHBondContact NZ-OE2 2.91Å; A181-E186 HydrophobicContact CB-CB 4.37Å; A181-E186 HydrophobicContact CB-CG 4.39Å; D182-E186 WeakPolarHBondContact O-CB 3.45Å; D182-E186 PolarHBondContact O-N 2.71Å; E186-Q189 PolarHBondContact O-N 3.17Å; E186-I190 HydrophobicContact CG-CD1 3.86Å; E186-I190 WeakPolarHBondContact O-CD1 3.38Å; E186-I190 VanDerWaalsContact O-CG1 3.23Å; E186-I190 WeakPolarHBondContact O-CG1 3.47Å; E186-I190 PolarHBondContact O-N 3.24Å |
| 187 | W | 92.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -76.3 | -26.8 | -179.7 | -73.6 | 95.7 | 0 | 0 | 0 | 113.4 | K139 V142 F143 I160 T163 C164 P183 I191 M244 W1689 | K139-W187 HydrophobicContact CB-CH2 4.22Å; K139-W187 HydrophobicContact CB-CZ3 4.46Å; K139-W187 HydrophobicContact CD-CZ2 4.3Å; K139-W187 HydrophobicContact CG-CH2 4.44Å; V142-W187 HydrophobicContact CG1-CZ3 4.44Å; F143-W187 HydrophobicContact CZ-CE3 4.41Å; F143-W187 HydrophobicContact CZ-CZ3 4.43Å; I160-W187 HydrophobicContact CG1-CZ3 4.26Å; I160-W187 HydrophobicContact CG2-CD2 3.79Å; I160-W187 HydrophobicContact CG2-CE3 3.74Å; I160-W187 HydrophobicContact CG2-CG 4.41Å; I160-W187 HydrophobicContact CG2-CH2 4.07Å; I160-W187 HydrophobicContact CG2-CZ2 4.12Å; I160-W187 HydrophobicContact CG2-CZ3 3.89Å; T163-W187 HydrophobicContact CG2-CH2 3.94Å; T163-W187 HydrophobicContact CG2-CZ2 4.01Å; C164-W187 HydrophobicContact CB-CZ2 4.33Å; P183-W187 WeakPolarHBondContact O-CB 3.39Å; P183-W187 PolarHBondContact O-N 3.28Å; W187-I191 WeakPolarHBondContact O-CB 3.41Å; W187-I191 WeakPolarHBondContact O-CG2 3.33Å; W187-I191 PolarHBondContact O-N 3.16Å; W187-M244 HydrophobicContact CB-CE 4.46Å; W187-W1689 HydrophobicContact CB-CH2 3.73Å; W187-W1689 HydrophobicContact CB-CZ2 3.86Å; W187-W1689 AromaticContact CD1-CH2 3.22Å; W187-W1689 AromaticContact CD1-CZ2 3.77Å; W187-W1689 AromaticContact CD1-CZ3 3.76Å; W187-W1689 HydrophobicContact CD2-CH2 4.12Å; W187-W1689 AromaticContact CG-CH2 3.41Å; W187-W1689 HydrophobicContact CG-CH2 3.41Å; W187-W1689 VanDerWaalsContact CG-CH2 3.41Å; W187-W1689 AromaticContact CG-CZ2 3.98Å; W187-W1689 HydrophobicContact CG-CZ2 3.98Å; W187-W1689 HydrophobicContact CG-CZ3 4.26Å; W187-W1689 AromaticContact NE1-CH2 3.8Å; W187-W1689 AromaticContact NE1-CZ3 3.9Å |
| 188 | T | 93.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.9 | -55.6 | 164.1 | -71.5 | 0 | 0 | 0 | 0 | 110 | F184 T185 I190 I191 T192 L250 D251 E254 F255 | F184-T188 WeakPolarHBondContact O-CB 3.26Å; F184-T188 PolarHBondContact O-N 3.01Å; F184-T188 PolarHBondContact O-OG1 3.27Å; T185-T188 PolarHBondContact O-N 3.09Å; T188-I190 VanDerWaalsContact C-N 3.31Å; T188-I190 PolarHBondContact O-N 3.15Å; T188-I191 WeakPolarHBondContact O-CG2 3.23Å; T188-I191 PolarHBondContact O-N 3Å; T188-T192 HydrophobicContact CG2-CG2 4.01Å; T188-T192 WeakPolarHBondContact O-CB 3.37Å; T188-T192 VanDerWaalsContact O-CG2 3.3Å; T188-T192 WeakPolarHBondContact O-CG2 3.23Å; T188-T192 PolarHBondContact O-N 3.38Å; T188-T192 PolarHBondContact O-OG1 2.96Å; T188-L250 WeakPolarHBondContact OG1-CB 3.4Å; T188-D251 PolarHBondContact OG1-N 3.03Å; T188-E254 HydrophobicContact CG2-CB 4.06Å; T188-E254 HydrophobicContact CG2-CG 3.8Å; T188-F255 HydrophobicContact CG2-CB 4.16Å |
| 189 | Q | 93.1 | Very high | 87.1 | Confident | 102 Ų | 102 | 44.4 Ų | 44.4 | 48% | 0.477 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.4 | -36.2 | -177.1 | -71.1 | 176.4 | 4.7 | 0 | 0 | 113.2 | T185 E186 T192 K193 E254 | T185-Q189 HydrophobicContact CG2-CG 4.48Å; T185-Q189 WeakPolarHBondContact O-CB 3.33Å; T185-Q189 VanDerWaalsContact O-CG 3.32Å; T185-Q189 WeakPolarHBondContact O-CG 3.35Å; T185-Q189 PolarHBondContact O-N 2.88Å; E186-Q189 PolarHBondContact O-N 3.17Å; Q189-T192 PolarHBondContact O-OG1 3.04Å; Q189-K193 WeakPolarHBondContact O-CB 3.23Å; Q189-K193 PolarHBondContact O-N 3.29Å; Q189-K193 VanDerWaalsContact O-N 3.12Å; Q189-E254 VanDerWaalsContact CG-OE1 3.31Å; Q189-E254 WeakPolarHBondContact CG-OE1 3.43Å; Q189-E254 PolarHBondContact NE2-OE1 2.91Å |
| 190 | I | 94 | Very high | 88.6 | Confident | 25 Ų | 25 | 39.8 Ų | 39.8 | 13% | 0.128 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.2 | -41 | 178.3 | -60.3 | 158.4 | 0 | 0 | 0 | 111.5 | K139 E140 F143 E186 T188 Y194 | K139-I190 HydrophobicContact CB-CD1 3.93Å; K139-I190 HydrophobicContact CB-CG2 4.3Å; K139-I190 HydrophobicContact CD-CD1 3.59Å; K139-I190 HydrophobicContact CG-CD1 4.39Å; E140-I190 HydrophobicContact CB-CG2 4.06Å; F143-I190 HydrophobicContact CE2-CG2 3.96Å; E186-I190 HydrophobicContact CG-CD1 3.86Å; E186-I190 WeakPolarHBondContact O-CD1 3.38Å; E186-I190 VanDerWaalsContact O-CG1 3.23Å; E186-I190 WeakPolarHBondContact O-CG1 3.47Å; E186-I190 PolarHBondContact O-N 3.24Å; T188-I190 VanDerWaalsContact C-N 3.31Å; T188-I190 PolarHBondContact O-N 3.15Å; I190-Y194 WeakPolarHBondContact O-CB 3.44Å; I190-Y194 PolarHBondContact O-N 2.97Å; I190-Y194 VanDerWaalsContact O-N 3.11Å |
| 191 | I | 94.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -74.6 | -38.1 | 179.6 | -157.7 | 166 | 0 | 0 | 0 | 112.5 | F143 W187 T188 Y194 L195 A241 M244 L250 | F143-I191 HydrophobicContact CE1-CB 4.46Å; F143-I191 HydrophobicContact CE1-CD1 3.83Å; F143-I191 HydrophobicContact CE1-CG1 3.96Å; F143-I191 HydrophobicContact CE2-CB 4.07Å; F143-I191 HydrophobicContact CE2-CG1 4.07Å; F143-I191 HydrophobicContact CZ-CB 3.68Å; F143-I191 HydrophobicContact CZ-CD1 3.92Å; F143-I191 HydrophobicContact CZ-CG1 3.62Å; W187-I191 WeakPolarHBondContact O-CB 3.41Å; W187-I191 WeakPolarHBondContact O-CG2 3.33Å; W187-I191 PolarHBondContact O-N 3.16Å; T188-I191 WeakPolarHBondContact O-CG2 3.23Å; T188-I191 PolarHBondContact O-N 3Å; I191-Y194 PolarHBondContact O-N 3.31Å; I191-L195 HydrophobicContact CG1-CD1 4.28Å; I191-L195 WeakPolarHBondContact O-CB 3.46Å; I191-L195 WeakPolarHBondContact O-CG 3.33Å; I191-L195 PolarHBondContact O-N 3.36Å; I191-A241 HydrophobicContact CD1-CB 3.78Å; I191-A241 HydrophobicContact CG1-CB 4.44Å; I191-M244 HydrophobicContact CD1-SD 3.99Å; I191-L250 HydrophobicContact CG2-CD1 4.26Å; I191-L250 HydrophobicContact CG2-CD2 4.12Å |
| 192 | T | 94 | Very high | 90.6 | Very high | 14 Ų | 14 | 36 Ų | 36 | 9% | 0.086 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.1 | -40.9 | 177.2 | 57.9 | 0 | 0 | 0 | 0 | 111.7 | T188 Q189 L195 W196 F255 W258 | T188-T192 HydrophobicContact CG2-CG2 4.01Å; T188-T192 WeakPolarHBondContact O-CB 3.37Å; T188-T192 VanDerWaalsContact O-CG2 3.3Å; T188-T192 WeakPolarHBondContact O-CG2 3.23Å; T188-T192 PolarHBondContact O-N 3.38Å; T188-T192 PolarHBondContact O-OG1 2.96Å; Q189-T192 PolarHBondContact O-OG1 3.04Å; T192-L195 PolarHBondContact O-N 2.85Å; T192-W196 VanDerWaalsContact O-CB 3.28Å; T192-W196 WeakPolarHBondContact O-CB 3.25Å; T192-W196 PolarHBondContact O-N 2.97Å; T192-F255 HydrophobicContact CG2-CD2 3.75Å; T192-F255 HydrophobicContact CG2-CE2 4.18Å; T192-W258 VanDerWaalsContact CB-CG 3.49Å; T192-W258 HydrophobicContact CG2-CB 3.86Å; T192-W258 HydrophobicContact CG2-CD2 3.48Å; T192-W258 VanDerWaalsContact CG2-CD2 3.48Å; T192-W258 HydrophobicContact CG2-CE3 3.66Å; T192-W258 HydrophobicContact CG2-CG 3.56Å; T192-W258 HydrophobicContact CG2-CZ3 4.45Å; T192-W258 WeakPolarHBondContact O-CZ2 3.4Å; T192-W258 PolarHBondContact O-NE1 3.34Å |
| 193 | K | 93.9 | Very high | 90.7 | Very high | 89 Ų | 89 | 33 Ų | 33 | 39% | 0.387 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -57.9 | -48.6 | 170.1 | 176.8 | 179.9 | 174.2 | -68 | 0 | 111.7 | E140 Q189 L195 W196 E197 | E140-K193 IonicContact OE1-NZ 3.26Å; E140-K193 IonicContact OE2-NZ 2.81Å; E140-K193 PolarHBondContact OE2-NZ 3.36Å; Q189-K193 WeakPolarHBondContact O-CB 3.23Å; Q189-K193 PolarHBondContact O-N 3.29Å; Q189-K193 VanDerWaalsContact O-N 3.12Å; K193-L195 PolarHBondContact O-N 3.19Å; K193-W196 PolarHBondContact O-N 3.15Å; K193-E197 VanDerWaalsContact CE-OE1 3.31Å; K193-E197 WeakPolarHBondContact CE-OE1 3.49Å; K193-E197 IonicContact NZ-OE1 2.73Å; K193-E197 PolarHBondContact NZ-OE1 2.99Å; K193-E197 WeakPolarHBondContact O-CG 3.23Å; K193-E197 PolarHBondContact O-N 3.05Å |
| 194 | Y | 94.5 | Very high | 90.6 | Very high | 20 Ų | 20 | 37.6 Ų | 37.6 | 8% | 0.078 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.1 | -41.2 | -179.2 | -171.4 | -89.3 | 0 | 0 | 0 | 112.6 | E140 F143 G144 I190 I191 E197 Q198 Q233 | E140-Y194 HydrophobicContact CB-CD2 4.25Å; F143-Y194 HydrophobicContact CB-CD1 3.77Å; F143-Y194 HydrophobicContact CB-CD2 4.22Å; F143-Y194 HydrophobicContact CB-CE1 3.6Å; F143-Y194 HydrophobicContact CB-CE2 4.02Å; F143-Y194 HydrophobicContact CB-CG 4.09Å; F143-Y194 AromaticContact CD2-CD1 3.99Å; F143-Y194 HydrophobicContact CD2-CD1 3.99Å; F143-Y194 AromaticContact CD2-CD2 3.95Å; F143-Y194 HydrophobicContact CD2-CD2 3.95Å; F143-Y194 AromaticContact CD2-CG 3.62Å; F143-Y194 HydrophobicContact CD2-CG 3.62Å; F143-Y194 HydrophobicContact CE2-CG 4.47Å; F143-Y194 HydrophobicContact CG-CD1 4.19Å; F143-Y194 HydrophobicContact CG-CE1 4.5Å; F143-Y194 HydrophobicContact CG-CG 4.26Å; G144-Y194 WeakPolarHBondContact CA-OH 3.01Å; G144-Y194 PolarHBondContact N-OH 3.15Å; I190-Y194 WeakPolarHBondContact O-CB 3.44Å; I190-Y194 PolarHBondContact O-N 2.97Å; I190-Y194 VanDerWaalsContact O-N 3.11Å; I191-Y194 PolarHBondContact O-N 3.31Å; Y194-E197 PolarHBondContact O-N 3.41Å; Y194-Q198 HydrophobicContact CD1-CG 4.4Å; Y194-Q198 HydrophobicContact CE1-CG 4.11Å; Y194-Q198 VanDerWaalsContact CZ-NE2 3.31Å; Y194-Q198 WeakPolarHBondContact O-CG 3.37Å; Y194-Q198 PolarHBondContact O-N 3.35Å; Y194-Q233 PolarHBondContact OH-OE1 2.8Å |
| 195 | L | 93.8 | Very high | 90.3 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.1 | -42.1 | 174.8 | -73.8 | 170 | 0 | 0 | 0 | 111.4 | I191 T192 K193 E197 Q198 L199 W234 N237 A241 W258 | I191-L195 HydrophobicContact CG1-CD1 4.28Å; I191-L195 WeakPolarHBondContact O-CB 3.46Å; I191-L195 WeakPolarHBondContact O-CG 3.33Å; I191-L195 PolarHBondContact O-N 3.36Å; T192-L195 PolarHBondContact O-N 2.85Å; K193-L195 PolarHBondContact O-N 3.19Å; L195-E197 VanDerWaalsContact C-N 3.32Å; L195-E197 PolarHBondContact O-N 3.49Å; L195-Q198 PolarHBondContact O-N 2.86Å; L195-Q198 VanDerWaalsContact O-N 3.17Å; L195-L199 WeakPolarHBondContact O-CB 3.5Å; L195-L199 PolarHBondContact O-N 3.03Å; L195-W234 HydrophobicContact CB-CE3 4.17Å; L195-W234 HydrophobicContact CB-CZ3 3.87Å; L195-W234 HydrophobicContact CD2-CD2 4.32Å; L195-W234 HydrophobicContact CD2-CE3 3.76Å; L195-W234 HydrophobicContact CD2-CZ3 4.16Å; L195-W234 WeakPolarHBondContact O-CZ3 3.26Å; L195-N237 HydrophobicContact CD2-CB 3.81Å; L195-A241 HydrophobicContact CD1-CB 4.13Å; L195-W258 HydrophobicContact CB-CH2 3.53Å; L195-W258 HydrophobicContact CB-CZ2 3.65Å; L195-W258 HydrophobicContact CD1-CH2 3.78Å; L195-W258 HydrophobicContact CD1-CZ3 4.12Å; L195-W258 HydrophobicContact CG-CH2 4.29Å |
| 196 | W | 91.8 | Very high | 89.6 | Confident | 68 Ų | 68 | 42.3 Ų | 42.3 | 26% | 0.258 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.2 | -39.9 | 175 | -173.3 | -109.4 | 0 | 0 | 0 | 112.4 | T192 K193 Q198 L199 Q200 W258 C262 K265 | T192-W196 VanDerWaalsContact O-CB 3.28Å; T192-W196 WeakPolarHBondContact O-CB 3.25Å; T192-W196 PolarHBondContact O-N 2.97Å; K193-W196 PolarHBondContact O-N 3.15Å; W196-Q198 VanDerWaalsContact C-N 3.34Å; W196-Q198 PolarHBondContact O-N 3.48Å; W196-L199 HydrophobicContact CE3-CD2 3.95Å; W196-L199 HydrophobicContact CZ3-CD2 3.86Å; W196-L199 PolarHBondContact O-N 2.82Å; W196-Q200 WeakPolarHBondContact O-CG 3.5Å; W196-Q200 PolarHBondContact O-N 3.46Å; W196-W258 HydrophobicContact CB-CZ2 4.46Å; W196-C262 VanDerWaalsContact CE3-SG 3.51Å; W196-C262 HydrophobicContact CZ3-CB 4.11Å; W196-K265 HydrophobicContact CH2-CB 3.89Å; W196-K265 HydrophobicContact CH2-CD 3.5Å; W196-K265 HydrophobicContact CH2-CG 4.33Å; W196-K265 HydrophobicContact CZ2-CD 3.76Å; W196-K265 HydrophobicContact CZ3-CD 4.34Å |
| 197 | E | 91.4 | Very high | 88.8 | Confident | 74 Ų | 74 | 44.1 Ų | 44.1 | 35% | 0.346 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.2 | -31.1 | 174.8 | -76.2 | 172.9 | -161.6 | 0 | 0 | 113.7 | K193 Y194 L195 K201 | K193-E197 VanDerWaalsContact CE-OE1 3.31Å; K193-E197 WeakPolarHBondContact CE-OE1 3.49Å; K193-E197 IonicContact NZ-OE1 2.73Å; K193-E197 PolarHBondContact NZ-OE1 2.99Å; K193-E197 WeakPolarHBondContact O-CG 3.23Å; K193-E197 PolarHBondContact O-N 3.05Å; Y194-E197 PolarHBondContact O-N 3.41Å; L195-E197 VanDerWaalsContact C-N 3.32Å; L195-E197 PolarHBondContact O-N 3.49Å; E197-K201 WeakPolarHBondContact O-CE 3.31Å; E197-K201 WeakPolarHBondContact O-CG 3.47Å |
| 198 | Q | 91.4 | Very high | 87.1 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -77.2 | -37.1 | 170.4 | -49.6 | -40.8 | -38.9 | 0 | 0 | 111.5 | Y194 L195 W196 Q200 K201 M202 A230 Q233 W234 | Y194-Q198 HydrophobicContact CD1-CG 4.4Å; Y194-Q198 HydrophobicContact CE1-CG 4.11Å; Y194-Q198 VanDerWaalsContact CZ-NE2 3.31Å; Y194-Q198 WeakPolarHBondContact O-CG 3.37Å; Y194-Q198 PolarHBondContact O-N 3.35Å; L195-Q198 PolarHBondContact O-N 2.86Å; L195-Q198 VanDerWaalsContact O-N 3.17Å; W196-Q198 VanDerWaalsContact C-N 3.34Å; W196-Q198 PolarHBondContact O-N 3.48Å; Q198-Q200 PolarHBondContact O-N 3.06Å; Q198-K201 PolarHBondContact O-N 3.11Å; Q198-M202 PolarHBondContact O-N 3.3Å; Q198-A230 HydrophobicContact CB-CB 4.35Å; Q198-Q233 HydrophobicContact CG-CB 4.31Å; Q198-W234 HydrophobicContact CB-CB 4.44Å |
| 199 | L | 89.4 | Confident | 85.3 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 179.9 | -178.4 | 54.6 | 0 | 0 | 0 | 112.5 | L195 W196 K201 M202 A203 W234 C262 L273 L277 | L195-L199 WeakPolarHBondContact O-CB 3.5Å; L195-L199 PolarHBondContact O-N 3.03Å; W196-L199 HydrophobicContact CE3-CD2 3.95Å; W196-L199 HydrophobicContact CZ3-CD2 3.86Å; W196-L199 PolarHBondContact O-N 2.82Å; L199-K201 VanDerWaalsContact C-N 3.33Å; L199-K201 PolarHBondContact O-N 3.09Å; L199-M202 WeakPolarHBondContact O-CB 3.31Å; L199-M202 PolarHBondContact O-N 2.61Å; L199-M202 VanDerWaalsContact O-N 3.15Å; L199-A203 WeakPolarHBondContact O-CB 3.48Å; L199-A203 PolarHBondContact O-N 3.14Å; L199-W234 HydrophobicContact CB-CE3 4.35Å; L199-W234 HydrophobicContact CB-CH2 4.47Å; L199-W234 HydrophobicContact CB-CZ3 3.85Å; L199-W234 HydrophobicContact CD2-CH2 4.23Å; L199-W234 HydrophobicContact CD2-CZ3 4.36Å; L199-C262 HydrophobicContact CD2-CB 4.23Å; L199-L273 HydrophobicContact CD1-CD1 4.04Å; L199-L277 HydrophobicContact CD1-CD1 4Å; L199-L277 HydrophobicContact CD1-CD2 3.93Å; L199-L277 HydrophobicContact CD1-CG 4.3Å; L199-L277 HydrophobicContact CD2-CD1 3.98Å; L199-L277 HydrophobicContact CD2-CD2 4.41Å |
| 200 | Q | 88.6 | Confident | 83.1 | Confident | 63 Ų | 63 | 53.6 Ų | 53.6 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 175.3 | -71.1 | -58.1 | -55.2 | 0 | 0 | 112 | W196 Q198 M202 A203 E204 | W196-Q200 WeakPolarHBondContact O-CG 3.5Å; W196-Q200 PolarHBondContact O-N 3.46Å; Q198-Q200 PolarHBondContact O-N 3.06Å; Q200-M202 VanDerWaalsContact C-N 3.25Å; Q200-M202 PolarHBondContact O-N 2.62Å; Q200-A203 PolarHBondContact O-N 3.4Å; Q200-A203 VanDerWaalsContact O-N 3.14Å; Q200-E204 WeakPolarHBondContact O-CG 3.15Å; Q200-E204 PolarHBondContact O-N 2.8Å |
| 201 | K | 88.6 | Confident | 80.4 | Confident | 84 Ų | 84 | 57.8 Ų | 57.8 | 37% | 0.365 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.6 | -30.3 | 175.9 | -59.6 | 169.6 | -166.9 | 169.1 | 0 | 113.2 | E197 Q198 L199 A230 | E197-K201 WeakPolarHBondContact O-CE 3.31Å; E197-K201 WeakPolarHBondContact O-CG 3.47Å; Q198-K201 PolarHBondContact O-N 3.11Å; L199-K201 VanDerWaalsContact C-N 3.33Å; L199-K201 PolarHBondContact O-N 3.09Å; K201-A230 HydrophobicContact CB-CB 4.1Å; K201-A230 HydrophobicContact CD-CB 4Å |
| 202 | M | 86.2 | Confident | 77.6 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -74.7 | -46.3 | 171.8 | -58.8 | -179.2 | -160.2 | 0 | 0 | 111.2 | Q198 L199 Q200 E204 Y205 Y206 I231 W234 L276 | Q198-M202 PolarHBondContact O-N 3.3Å; L199-M202 WeakPolarHBondContact O-CB 3.31Å; L199-M202 PolarHBondContact O-N 2.61Å; L199-M202 VanDerWaalsContact O-N 3.15Å; Q200-M202 VanDerWaalsContact C-N 3.25Å; Q200-M202 PolarHBondContact O-N 2.62Å; M202-E204 PolarHBondContact O-N 2.72Å; M202-Y205 WeakPolarHBondContact O-CB 3.43Å; M202-Y205 PolarHBondContact O-N 3.12Å; M202-Y206 VanDerWaalsContact O-CD2 3.22Å; M202-Y206 WeakPolarHBondContact O-CD2 3.45Å; M202-Y206 PolarHBondContact O-N 3.09Å; M202-Y206 VanDerWaalsContact O-N 3.11Å; M202-I231 HydrophobicContact CE-CB 4.33Å; M202-I231 HydrophobicContact CE-CG1 3.79Å; M202-I231 HydrophobicContact CG-CG1 4.13Å; M202-I231 HydrophobicContact SD-CG1 3.96Å; M202-W234 HydrophobicContact CE-CB 3.29Å; M202-W234 HydrophobicContact CE-CD2 4.04Å; M202-W234 HydrophobicContact CE-CG 3.52Å; M202-L276 HydrophobicContact SD-CD2 4.17Å |
| 203 | A | 84.5 | Confident | 74.9 | Confident | 3 Ų | 3 | 66.5 Ų | 66.5 | 3% | 0.025 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.1 | -34.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L199 Q200 Y205 Y206 R207 L273 | L199-A203 WeakPolarHBondContact O-CB 3.48Å; L199-A203 PolarHBondContact O-N 3.14Å; Q200-A203 PolarHBondContact O-N 3.4Å; Q200-A203 VanDerWaalsContact O-N 3.14Å; A203-Y205 VanDerWaalsContact C-N 3.3Å; A203-Y205 PolarHBondContact O-N 3.03Å; A203-Y206 PolarHBondContact O-N 3.19Å; A203-R207 WeakPolarHBondContact O-CB 3.46Å; A203-R207 PolarHBondContact O-N 3.46Å; A203-L273 HydrophobicContact CB-CD1 4.42Å; A203-L273 HydrophobicContact CB-CD2 3.59Å |
| 204 | E | 83.4 | Confident | 72.2 | Confident | 131 Ų | 131 | 66.2 Ų | 66.2 | 61% | 0.612 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.2 | -32.3 | 172.1 | -75.3 | 169.5 | 178 | 0 | 0 | 113.3 | Q200 M202 | Q200-E204 WeakPolarHBondContact O-CG 3.15Å; Q200-E204 PolarHBondContact O-N 2.8Å; M202-E204 PolarHBondContact O-N 2.72Å |
| 205 | Y | 80 | Confident | 69.5 | Low | 69 Ų | 69 | 72.2 Ų | 72.2 | 27% | 0.271 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -78.4 | -34.2 | 175.4 | 179.7 | -98.7 | 0 | 0 | 0 | 113 | M202 A203 I220 G221 L223 P224 V227 | M202-Y205 WeakPolarHBondContact O-CB 3.43Å; M202-Y205 PolarHBondContact O-N 3.12Å; A203-Y205 VanDerWaalsContact C-N 3.3Å; A203-Y205 PolarHBondContact O-N 3.03Å; Y205-I220 VanDerWaalsContact OH-CG2 3.24Å; Y205-I220 WeakPolarHBondContact OH-CG2 3.42Å; Y205-G221 PolarHBondContact OH-O 2.9Å; Y205-G221 VanDerWaalsContact OH-O 3.09Å; Y205-L223 HydrophobicContact CD1-CD1 4.46Å; Y205-L223 HydrophobicContact CE1-CD1 3.66Å; Y205-L223 HydrophobicContact CE1-CG 4.46Å; Y205-L223 HydrophobicContact CE2-CD1 4.43Å; Y205-P224 HydrophobicContact CD2-CG 4.1Å; Y205-P224 VanDerWaalsContact CE2-CD 3.48Å; Y205-P224 HydrophobicContact CE2-CG 4.16Å; Y205-V227 HydrophobicContact CG-CG1 4.28Å |
| 206 | Y | 72.7 | Confident | 66.6 | Low | 79 Ų | 79 | 78.2 Ų | 78.2 | 31% | 0.31 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -85.8 | -10.5 | 179.9 | -71.4 | -71 | 0 | 0 | 0 | 114.5 | M202 A203 E272 L273 L276 | M202-Y206 VanDerWaalsContact O-CD2 3.22Å; M202-Y206 WeakPolarHBondContact O-CD2 3.45Å; M202-Y206 PolarHBondContact O-N 3.09Å; M202-Y206 VanDerWaalsContact O-N 3.11Å; A203-Y206 PolarHBondContact O-N 3.19Å; Y206-E272 HydrophobicContact CD1-CB 4.26Å; Y206-L273 HydrophobicContact CD2-CD1 4.23Å; Y206-L276 HydrophobicContact CD2-CD2 4.47Å; Y206-L276 HydrophobicContact CE2-CD2 3.69Å |
| 207 | R | 72.8 | Confident | 63.7 | Low | 90 Ų | 90 | 78.6 Ų | 78.6 | 34% | 0.34 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -80.2 | 124.4 | 177.7 | -175.7 | 171.9 | -64.7 | 128.8 | 8.4 | 110.6 | A203 G209 E270 | A203-R207 WeakPolarHBondContact O-CB 3.46Å; A203-R207 PolarHBondContact O-N 3.46Å; R207-G209 PolarHBondContact O-N 3.47Å; R207-E270 IonicContact CZ-OE1 2.72Å; R207-E270 VanDerWaalsContact CZ-OE1 3.25Å; R207-E270 IonicContact NE-OE1 2.62Å; R207-E270 PolarHBondContact NE-OE1 2.82Å; R207-E270 IonicContact NH2-OE1 3.68Å; R207-E270 PolarHBondContact NH2-OE1 3.45Å |
| 208 | P | 55.8 | Low | 61.1 | Low | 108 Ų | 108 | 81.6 Ų | 81.6 | 70% | 0.701 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 133.3 | 173.6 | 25.7 | -33.3 | 0 | 0 | 0 | 110.4 | ||
| 209 | G | 57.2 | Low | 58.6 | Low | 61 Ų | 61 | 86 Ų | 86 | 63% | 0.629 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 159.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R207 A211 | R207-G209 PolarHBondContact O-N 3.47Å; G209-A211 PolarHBondContact O-N 2.92Å |
| 210 | P | 46.9 | Very low | 57 | Low | 133 Ų | 133 | 93 Ų | 93 | 86% | 0.864 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 132.5 | 177.8 | 25.7 | -34 | 0 | 0 | 0 | 110.7 | G212 | P210-G212 PolarHBondContact O-N 3.17Š|
| 211 | A | 37.7 | Very low | 55.7 | Low | 113 Ų | 113 | 91.8 Ų | 91.8 | 93% | 0.934 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -60.3 | 126.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G209 | G209-A211 PolarHBondContact O-N 2.92Š|
| 212 | G | 35.3 | Very low | 54.7 | Low | 76 Ų | 76 | 94 Ų | 94 | 78% | 0.784 | 64% | 0.642 | S | S | * | * | trans | -157.2 | -5.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | P210 | P210-G212 PolarHBondContact O-N 3.17Š| ||
| 213 | S | 37.9 | Very low | 54.1 | Low | 121 Ų | 121 | 96.9 Ų | 96.9 | 85% | 0.846 | 66% | 0.658 | S | S | * | * | trans | -164.9 | 125.1 | 170.5 | 58.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 214 | G | 35.9 | Very low | 54.1 | Low | 82 Ų | 82 | 99.6 Ų | 99.6 | 85% | 0.845 | 68% | 0.675 | S | S | * | * | trans | -100.6 | 118.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 215 | V | 38.5 | Very low | 54.1 | Low | 146 Ų | 146 | 99.1 Ų | 99.1 | 89% | 0.885 | 67% | 0.672 | S | S | * | * | trans | -142.9 | 136.4 | 152.5 | -177.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 216 | C | 31.6 | Very low | 54.3 | Low | 131 Ų | 131 | 101.5 Ų | 101.5 | 89% | 0.885 | 69% | 0.69 | S | S | * | * | trans | -77.4 | 147.9 | 178.4 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 217 | G | 32.7 | Very low | 54.9 | Low | 76 Ų | 76 | 98.4 Ų | 98.4 | 78% | 0.784 | 68% | 0.679 | S | S | * | * | trans | 139.9 | 131.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | A219 | G217-A219 PolarHBondContact O-N 3.3Š| ||
| 218 | S | 35.5 | Very low | 55.6 | Low | 137 Ų | 137 | 97.1 Ų | 97.1 | 96% | 0.958 | 68% | 0.677 | S | S | * | * | trans | -64.7 | 110.4 | -177.8 | -52.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 219 | A | 38.7 | Very low | 57.2 | Low | 95 Ų | 95 | 95.8 Ų | 95.8 | 79% | 0.785 | 66% | 0.662 | S | S | * | * | trans | -146.4 | 96 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | G217 G221 | G217-A219 PolarHBondContact O-N 3.3Å; A219-G221 PolarHBondContact O-N 2.95Å; A219-G221 VanDerWaalsContact O-N 3.09Å | ||
| 220 | I | 56.2 | Low | 58.8 | Low | 151 Ų | 151 | 93 Ų | 93 | 77% | 0.774 | 63% | 0.633 | S | S | * | * | trans | -69 | 106.1 | 166.5 | -61.8 | 179.2 | 0 | 0 | 0 | 106.8 | Y205 | Y205-I220 VanDerWaalsContact OH-CG2 3.24Å; Y205-I220 WeakPolarHBondContact OH-CG2 3.42Å | ||
| 221 | G | 60.7 | Low | 60.8 | Low | 38 Ų | 38 | 88.7 Ų | 88.7 | 39% | 0.392 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 157.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y205 A219 L223 | Y205-G221 PolarHBondContact OH-O 2.9Å; Y205-G221 VanDerWaalsContact OH-O 3.09Å; A219-G221 PolarHBondContact O-N 2.95Å; A219-G221 VanDerWaalsContact O-N 3.09Å; G221-L223 PolarHBondContact O-N 3.47Å |
| 222 | P | 68.1 | Low | 63.3 | Low | 131 Ų | 131 | 91.2 Ų | 91.2 | 85% | 0.851 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 133.6 | 179.7 | 24.3 | -34.3 | 0 | 0 | 0 | 110.7 | ||
| 223 | L | 74.4 | Confident | 66.1 | Low | 64 Ų | 64 | 89.1 Ų | 89.1 | 34% | 0.335 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 131.8 | -173.1 | -125.5 | 78.9 | 0 | 0 | 0 | 110.9 | Y205 G221 H225 V227 E228 I231 | Y205-L223 HydrophobicContact CD1-CD1 4.46Å; Y205-L223 HydrophobicContact CE1-CD1 3.66Å; Y205-L223 HydrophobicContact CE1-CG 4.46Å; Y205-L223 HydrophobicContact CE2-CD1 4.43Å; G221-L223 PolarHBondContact O-N 3.47Å; L223-H225 PolarHBondContact O-N 2.94Å; L223-V227 HydrophobicContact CD2-CB 4.29Å; L223-V227 HydrophobicContact CD2-CG1 3.83Å; L223-V227 HydrophobicContact CG-CB 4.43Å; L223-V227 HydrophobicContact CG-CG1 4.17Å; L223-E228 HydrophobicContact CD2-CB 4.43Å; L223-I231 HydrophobicContact CD2-CD1 3.61Å |
| 224 | P | 83.7 | Confident | 68.7 | Low | 60 Ų | 60 | 84.5 Ų | 84.5 | 39% | 0.39 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -57 | 139.2 | 171.6 | -23.1 | 32.8 | 0 | 0 | 0 | 110.3 | Y205 D226 V227 E228 | Y205-P224 HydrophobicContact CD2-CG 4.1Å; Y205-P224 VanDerWaalsContact CE2-CD 3.48Å; Y205-P224 HydrophobicContact CE2-CG 4.16Å; P224-D226 PolarHBondContact O-N 2.92Å; P224-D226 VanDerWaalsContact O-N 3.17Å; P224-V227 HydrophobicContact CB-CB 4.47Å; P224-V227 HydrophobicContact CB-CG2 4.03Å; P224-V227 HydrophobicContact CG-CG2 4.15Å; P224-V227 WeakPolarHBondContact O-CA 3.38Å; P224-V227 WeakPolarHBondContact O-CB 3.48Å; P224-V227 PolarHBondContact O-N 3.32Å; P224-E228 PolarHBondContact O-N 3.28Å |
| 225 | H | 83.1 | Confident | 71.3 | Confident | 120 Ų | 120 | 84.2 Ų | 84.2 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59 | -34.9 | -172.3 | -171.3 | 53.5 | 0 | 0 | 0 | 112.8 | L223 V227 E228 M229 | L223-H225 PolarHBondContact O-N 2.94Å; H225-V227 VanDerWaalsContact C-N 3.33Å; H225-V227 PolarHBondContact O-N 3.06Å; H225-E228 IonicContact ND1-OE2 3.84Å; H225-E228 PolarHBondContact O-N 3.3Å; H225-M229 WeakPolarHBondContact O-CB 3.27Å; H225-M229 WeakPolarHBondContact O-CG 3.33Å; H225-M229 PolarHBondContact O-N 3.31Å |
| 226 | D | 84.1 | Confident | 74 | Confident | 120 Ų | 120 | 78.6 Ų | 78.6 | 64% | 0.642 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.1 | -34 | 175.3 | -59.1 | -64.7 | 0 | 0 | 0 | 113.1 | P224 A230 | P224-D226 PolarHBondContact O-N 2.92Å; P224-D226 VanDerWaalsContact O-N 3.17Å; D226-A230 WeakPolarHBondContact O-CB 3.4Å; D226-A230 PolarHBondContact O-N 2.77Å |
| 227 | V | 86.1 | Confident | 77.1 | Confident | 14 Ų | 14 | 72.4 Ų | 72.4 | 9% | 0.085 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -74 | -40.7 | 174.7 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | Y205 L223 P224 H225 M229 A230 I231 | Y205-V227 HydrophobicContact CG-CG1 4.28Å; L223-V227 HydrophobicContact CD2-CB 4.29Å; L223-V227 HydrophobicContact CD2-CG1 3.83Å; L223-V227 HydrophobicContact CG-CB 4.43Å; L223-V227 HydrophobicContact CG-CG1 4.17Å; P224-V227 HydrophobicContact CB-CB 4.47Å; P224-V227 HydrophobicContact CB-CG2 4.03Å; P224-V227 HydrophobicContact CG-CG2 4.15Å; P224-V227 WeakPolarHBondContact O-CA 3.38Å; P224-V227 WeakPolarHBondContact O-CB 3.48Å; P224-V227 PolarHBondContact O-N 3.32Å; H225-V227 VanDerWaalsContact C-N 3.33Å; H225-V227 PolarHBondContact O-N 3.06Å; V227-M229 VanDerWaalsContact C-N 3.33Å; V227-M229 PolarHBondContact O-N 2.79Å; V227-A230 WeakPolarHBondContact O-CB 3.32Å; V227-A230 PolarHBondContact O-N 3.16Å; V227-I231 HydrophobicContact CG1-CD1 4.37Å; V227-I231 WeakPolarHBondContact O-CG1 3.21Å; V227-I231 PolarHBondContact O-N 3.2Å |
| 228 | E | 88.3 | Confident | 80 | Confident | 62 Ų | 62 | 69.6 Ų | 69.6 | 29% | 0.29 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 174 | -158.4 | -147.2 | 160.1 | 0 | 0 | 111.5 | L223 P224 H225 I231 R232 | L223-E228 HydrophobicContact CD2-CB 4.43Å; P224-E228 PolarHBondContact O-N 3.28Å; H225-E228 IonicContact ND1-OE2 3.84Å; H225-E228 PolarHBondContact O-N 3.3Å; E228-I231 PolarHBondContact O-N 2.97Å; E228-R232 WeakPolarHBondContact O-CG 3.37Å; E228-R232 PolarHBondContact O-N 2.86Å; E228-R232 IonicContact OE1-CZ 2.65Å; E228-R232 IonicContact OE1-NE 2.7Å; E228-R232 PolarHBondContact OE1-NE 3.3Å; E228-R232 IonicContact OE1-NH2 3.42Å; E228-R232 PolarHBondContact OE1-NH2 2.95Å |
| 229 | M | 88.3 | Confident | 82.7 | Confident | 81 Ų | 81 | 67.9 Ų | 67.9 | 40% | 0.399 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 172.8 | -75.7 | -170 | 66.5 | 0 | 0 | 112.2 | H225 V227 R232 Q233 | H225-M229 WeakPolarHBondContact O-CB 3.27Å; H225-M229 WeakPolarHBondContact O-CG 3.33Å; H225-M229 PolarHBondContact O-N 3.31Å; V227-M229 VanDerWaalsContact C-N 3.33Å; V227-M229 PolarHBondContact O-N 2.79Å; M229-R232 PolarHBondContact O-N 2.97Å; M229-Q233 WeakPolarHBondContact O-CB 3.43Å; M229-Q233 VanDerWaalsContact O-CG 3.23Å; M229-Q233 WeakPolarHBondContact O-CG 3.41Å; M229-Q233 PolarHBondContact O-N 2.92Å |
| 230 | A | 90.4 | Very high | 85.4 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.008 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q198 K201 D226 V227 Q233 W234 | Q198-A230 HydrophobicContact CB-CB 4.35Å; K201-A230 HydrophobicContact CB-CB 4.1Å; K201-A230 HydrophobicContact CD-CB 4Å; D226-A230 WeakPolarHBondContact O-CB 3.4Å; D226-A230 PolarHBondContact O-N 2.77Å; V227-A230 WeakPolarHBondContact O-CB 3.32Å; V227-A230 PolarHBondContact O-N 3.16Å; A230-Q233 PolarHBondContact O-N 3.44Å; A230-W234 WeakPolarHBondContact O-CB 3.44Å; A230-W234 PolarHBondContact O-N 3.5Å |
| 231 | I | 89.6 | Confident | 87.2 | Confident | 44 Ų | 44 | 56.2 Ų | 56.2 | 23% | 0.226 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.5 | -49.1 | 175.1 | -68.3 | 174.9 | 0 | 0 | 0 | 110.9 | M202 L223 V227 E228 Q233 W234 D235 | M202-I231 HydrophobicContact CE-CB 4.33Å; M202-I231 HydrophobicContact CE-CG1 3.79Å; M202-I231 HydrophobicContact CG-CG1 4.13Å; M202-I231 HydrophobicContact SD-CG1 3.96Å; L223-I231 HydrophobicContact CD2-CD1 3.61Å; V227-I231 HydrophobicContact CG1-CD1 4.37Å; V227-I231 WeakPolarHBondContact O-CG1 3.21Å; V227-I231 PolarHBondContact O-N 3.2Å; E228-I231 PolarHBondContact O-N 2.97Å; I231-Q233 PolarHBondContact O-N 3.16Å; I231-W234 PolarHBondContact O-N 3.12Å; I231-D235 WeakPolarHBondContact O-CB 3.49Å; I231-D235 PolarHBondContact O-N 2.94Å |
| 232 | R | 90.6 | Very high | 88.7 | Confident | 165 Ų | 165 | 55.6 Ų | 55.6 | 62% | 0.623 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -59 | -35.2 | 176.3 | -70.6 | 172.6 | 180 | -131.7 | 11.2 | 112.6 | E228 M229 Y236 | E228-R232 WeakPolarHBondContact O-CG 3.37Å; E228-R232 PolarHBondContact O-N 2.86Å; E228-R232 IonicContact OE1-CZ 2.65Å; E228-R232 IonicContact OE1-NE 2.7Å; E228-R232 PolarHBondContact OE1-NE 3.3Å; E228-R232 IonicContact OE1-NH2 3.42Å; E228-R232 PolarHBondContact OE1-NH2 2.95Å; M229-R232 PolarHBondContact O-N 2.97Å; R232-Y236 PolarHBondContact O-N 3.38Å |
| 233 | Q | 93 | Very high | 89.8 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 15% | 0.15 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.7 | -40.2 | 175.9 | -73.8 | 176.2 | 29.3 | 0 | 0 | 112.6 | A147 Y194 Q198 M229 A230 I231 N237 | A147-Q233 HydrophobicContact CB-CG 4.12Å; Y194-Q233 PolarHBondContact OH-OE1 2.8Å; Q198-Q233 HydrophobicContact CG-CB 4.31Å; M229-Q233 WeakPolarHBondContact O-CB 3.43Å; M229-Q233 VanDerWaalsContact O-CG 3.23Å; M229-Q233 WeakPolarHBondContact O-CG 3.41Å; M229-Q233 PolarHBondContact O-N 2.92Å; A230-Q233 PolarHBondContact O-N 3.44Å; I231-Q233 PolarHBondContact O-N 3.16Å; Q233-N237 WeakPolarHBondContact O-CB 3.33Å; Q233-N237 PolarHBondContact O-N 2.75Å; Q233-N237 PolarHBondContact O-ND2 3.39Å |
| 234 | W | 92.8 | Very high | 90.7 | Very high | 24 Ų | 24 | 48.7 Ų | 48.7 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.8 | -51.3 | 174.2 | 171.5 | -88.1 | 0 | 0 | 0 | 111.5 | L195 Q198 L199 M202 A230 I231 Y236 N237 E238 W258 L277 L280 | L195-W234 HydrophobicContact CB-CE3 4.17Å; L195-W234 HydrophobicContact CB-CZ3 3.87Å; L195-W234 HydrophobicContact CD2-CD2 4.32Å; L195-W234 HydrophobicContact CD2-CE3 3.76Å; L195-W234 HydrophobicContact CD2-CZ3 4.16Å; L195-W234 WeakPolarHBondContact O-CZ3 3.26Å; Q198-W234 HydrophobicContact CB-CB 4.44Å; L199-W234 HydrophobicContact CB-CE3 4.35Å; L199-W234 HydrophobicContact CB-CH2 4.47Å; L199-W234 HydrophobicContact CB-CZ3 3.85Å; L199-W234 HydrophobicContact CD2-CH2 4.23Å; L199-W234 HydrophobicContact CD2-CZ3 4.36Å; M202-W234 HydrophobicContact CE-CB 3.29Å; M202-W234 HydrophobicContact CE-CD2 4.04Å; M202-W234 HydrophobicContact CE-CG 3.52Å; A230-W234 WeakPolarHBondContact O-CB 3.44Å; A230-W234 PolarHBondContact O-N 3.5Å; I231-W234 PolarHBondContact O-N 3.12Å; W234-Y236 PolarHBondContact O-N 3.29Å; W234-Y236 VanDerWaalsContact O-N 3.11Å; W234-N237 PolarHBondContact O-N 3.43Å; W234-E238 WeakPolarHBondContact O-CB 3.32Å; W234-E238 PolarHBondContact O-N 2.74Å; W234-W258 HydrophobicContact CH2-CH2 4.33Å; W234-W258 HydrophobicContact CZ3-CH2 4.35Å; W234-L277 HydrophobicContact CH2-CD2 3.88Å; W234-L277 HydrophobicContact CZ2-CD2 3.48Å; W234-L277 VanDerWaalsContact CZ2-CD2 3.48Å; W234-L280 HydrophobicContact CH2-CD2 4.35Å; W234-L280 HydrophobicContact CZ2-CD2 4.19Å |
| 235 | D | 91.7 | Very high | 91.1 | Very high | 77 Ų | 77 | 45.9 Ų | 45.9 | 41% | 0.412 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.3 | -32.1 | 178.8 | -86 | 0.9 | 0 | 0 | 0 | 112.9 | I231 K239 | I231-D235 WeakPolarHBondContact O-CB 3.49Å; I231-D235 PolarHBondContact O-N 2.94Å; D235-K239 WeakPolarHBondContact O-CD 3.41Å; D235-K239 VanDerWaalsContact O-CG 3.29Å; D235-K239 WeakPolarHBondContact O-CG 3.46Å; D235-K239 PolarHBondContact O-NZ 2.89Å |
| 236 | Y | 95.4 | Very high | 91.4 | Very high | 28 Ų | 28 | 46 Ų | 46 | 11% | 0.11 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -78.9 | -48.4 | 174 | 179.7 | -87.3 | 0 | 0 | 0 | 112 | L146 A147 V151 A156 R232 W234 K239 L240 | L146-Y236 HydrophobicContact CB-CE1 3.59Å; A147-Y236 HydrophobicContact CB-CD1 3.64Å; A147-Y236 HydrophobicContact CB-CE1 4.45Å; A147-Y236 HydrophobicContact CB-CG 3.73Å; V151-Y236 VanDerWaalsContact O-CE2 3.23Å; V151-Y236 WeakPolarHBondContact O-CE2 3.32Å; V151-Y236 PolarHBondContact O-OH 2.89Å; A156-Y236 WeakPolarHBondContact CB-OH 3.32Å; R232-Y236 PolarHBondContact O-N 3.38Å; W234-Y236 PolarHBondContact O-N 3.29Å; W234-Y236 VanDerWaalsContact O-N 3.11Å; Y236-K239 PolarHBondContact O-N 3.15Å; Y236-L240 HydrophobicContact CE1-CB 4.45Å; Y236-L240 HydrophobicContact CE1-CD2 4.06Å; Y236-L240 PolarHBondContact O-N 3.31Å |
| 237 | N | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -77.9 | -20.2 | -173 | -71.2 | -70.3 | 0 | 0 | 0 | 113.5 | F143 L195 Q233 W234 A241 | F143-N237 WeakPolarHBondContact CB-OD1 3.33Å; F143-N237 VanDerWaalsContact CD1-OD1 3.32Å; F143-N237 WeakPolarHBondContact CD1-OD1 3.27Å; F143-N237 PolarHBondContact O-ND2 2.95Å; L195-N237 HydrophobicContact CD2-CB 3.81Å; Q233-N237 WeakPolarHBondContact O-CB 3.33Å; Q233-N237 PolarHBondContact O-N 2.75Å; Q233-N237 PolarHBondContact O-ND2 3.39Å; W234-N237 PolarHBondContact O-N 3.43Å; N237-A241 VanDerWaalsContact O-CB 3.23Å; N237-A241 WeakPolarHBondContact O-CB 3.26Å; N237-A241 PolarHBondContact O-N 2.96Å |
| 238 | E | 93.3 | Very high | 91.4 | Very high | 18 Ų | 18 | 40.8 Ų | 40.8 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63 | -48.6 | 165.6 | -176.6 | -80.4 | 151.3 | 0 | 0 | 110.5 | W234 L240 A241 L242 L280 R283 | W234-E238 WeakPolarHBondContact O-CB 3.32Å; W234-E238 PolarHBondContact O-N 2.74Å; E238-L240 VanDerWaalsContact C-N 3.28Å; E238-L240 PolarHBondContact O-N 2.88Å; E238-A241 PolarHBondContact O-N 2.8Å; E238-L242 WeakPolarHBondContact O-CB 3.02Å; E238-L242 PolarHBondContact O-N 2.91Å; E238-L280 HydrophobicContact CG-CD1 3.66Å; E238-R283 WeakPolarHBondContact OE1-CD 3.5Å; E238-R283 IonicContact OE1-CZ 2.65Å; E238-R283 IonicContact OE1-NE 3.25Å; E238-R283 IonicContact OE1-NH1 3Å; E238-R283 PolarHBondContact OE1-NH1 2.94Å; E238-R283 IonicContact OE2-NH1 3.27Å; E238-R283 PolarHBondContact OE2-NH1 3.41Å |
| 239 | K | 93 | Very high | 91.5 | Very high | 100 Ų | 100 | 37.8 Ų | 37.8 | 44% | 0.435 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65 | -34.3 | 178.3 | -62.7 | 177.3 | -174.7 | 86.7 | 0 | 111.5 | D235 Y236 F243 | D235-K239 WeakPolarHBondContact O-CD 3.41Å; D235-K239 VanDerWaalsContact O-CG 3.29Å; D235-K239 WeakPolarHBondContact O-CG 3.46Å; D235-K239 PolarHBondContact O-NZ 2.89Å; Y236-K239 PolarHBondContact O-N 3.15Å; K239-F243 WeakPolarHBondContact O-CB 3.48Å; K239-F243 PolarHBondContact O-N 3.14Å; K239-F243 VanDerWaalsContact O-N 3.09Å |
| 240 | L | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.2 | -44.4 | 172.5 | -177.7 | 56.2 | 0 | 0 | 0 | 112.1 | F143 L146 V153 A156 I160 Y236 E238 F243 M244 | F143-L240 HydrophobicContact CD1-CD2 4.07Å; F143-L240 HydrophobicContact CE1-CD2 4.18Å; L146-L240 HydrophobicContact CD1-CD2 4.01Å; V153-L240 HydrophobicContact CB-CD1 4.31Å; V153-L240 HydrophobicContact CG1-CB 4.47Å; A156-L240 HydrophobicContact CB-CD1 3.72Å; A156-L240 HydrophobicContact CB-CD2 4.19Å; I160-L240 HydrophobicContact CD1-CD2 4.01Å; Y236-L240 HydrophobicContact CE1-CB 4.45Å; Y236-L240 HydrophobicContact CE1-CD2 4.06Å; Y236-L240 PolarHBondContact O-N 3.31Å; E238-L240 VanDerWaalsContact C-N 3.28Å; E238-L240 PolarHBondContact O-N 2.88Å; L240-F243 PolarHBondContact O-N 2.82Å; L240-M244 HydrophobicContact CD1-CG 4.26Å; L240-M244 HydrophobicContact CD1-SD 4.16Å; L240-M244 HydrophobicContact CG-SD 4Å; L240-M244 WeakPolarHBondContact O-CB 3.48Å; L240-M244 VanDerWaalsContact O-CG 3.31Å; L240-M244 WeakPolarHBondContact O-CG 3.3Å; L240-M244 PolarHBondContact O-N 3.41Å |
| 241 | A | 94.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -43.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I191 L195 N237 E238 F243 M244 F245 F255 | I191-A241 HydrophobicContact CD1-CB 3.78Å; I191-A241 HydrophobicContact CG1-CB 4.44Å; L195-A241 HydrophobicContact CD1-CB 4.13Å; N237-A241 VanDerWaalsContact O-CB 3.23Å; N237-A241 WeakPolarHBondContact O-CB 3.26Å; N237-A241 PolarHBondContact O-N 2.96Å; E238-A241 PolarHBondContact O-N 2.8Å; A241-F243 PolarHBondContact O-N 2.75Å; A241-M244 PolarHBondContact O-N 2.92Å; A241-F245 VanDerWaalsContact O-CB 3.24Å; A241-F245 WeakPolarHBondContact O-CB 3.44Å; A241-F245 PolarHBondContact O-N 3.2Å; A241-F255 HydrophobicContact CB-CE2 4.03Å; A241-F255 HydrophobicContact CB-CZ 4.02Å |
| 242 | L | 92.9 | Very high | 91.8 | Very high | 25 Ų | 25 | 33.8 Ų | 33.8 | 13% | 0.131 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.3 | -45.7 | 173 | 179.5 | 65.6 | 0 | 0 | 0 | 111.7 | E238 F245 Q246 R283 Y284 | E238-L242 WeakPolarHBondContact O-CB 3.02Å; E238-L242 PolarHBondContact O-N 2.91Å; L242-F245 PolarHBondContact O-N 3.16Å; L242-Q246 HydrophobicContact CD1-CG 4.39Å; L242-Q246 WeakPolarHBondContact O-CB 3.31Å; L242-Q246 VanDerWaalsContact O-CG 3.29Å; L242-Q246 WeakPolarHBondContact O-CG 3.32Å; L242-Q246 PolarHBondContact O-N 2.67Å; L242-R283 HydrophobicContact CD1-CG 4.31Å; L242-Y284 WeakPolarHBondContact CA-OH 3.41Å; L242-Y284 HydrophobicContact CD1-CE1 3.83Å; L242-Y284 WeakPolarHBondContact CD1-OH 3.2Å |
| 243 | F | 91.4 | Very high | 91.8 | Very high | 51 Ų | 51 | 27.2 Ų | 27.2 | 22% | 0.224 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 176.1 | -178.5 | -91 | 0 | 0 | 0 | 111.9 | V153 M154 A157 K239 L240 A241 F245 Q246 D247 | V153-F243 HydrophobicContact CB-CB 4.12Å; V153-F243 HydrophobicContact CB-CG 4.13Å; V153-F243 HydrophobicContact CG2-CB 4.03Å; V153-F243 HydrophobicContact CG2-CD2 3.8Å; V153-F243 HydrophobicContact CG2-CE2 4.49Å; V153-F243 HydrophobicContact CG2-CG 3.84Å; M154-F243 HydrophobicContact CB-CZ 4.29Å; M154-F243 HydrophobicContact CG-CE2 3.75Å; M154-F243 HydrophobicContact CG-CZ 3.7Å; A157-F243 HydrophobicContact CB-CD1 3.84Å; A157-F243 HydrophobicContact CB-CE1 3.59Å; K239-F243 WeakPolarHBondContact O-CB 3.48Å; K239-F243 PolarHBondContact O-N 3.14Å; K239-F243 VanDerWaalsContact O-N 3.09Å; L240-F243 PolarHBondContact O-N 2.82Å; A241-F243 PolarHBondContact O-N 2.75Å; F243-F245 VanDerWaalsContact C-N 3.33Å; F243-F245 PolarHBondContact O-N 2.97Å; F243-Q246 PolarHBondContact O-N 3.32Å; F243-D247 HydrophobicContact CE1-CB 4.34Å; F243-D247 WeakPolarHBondContact O-CB 3.33Å; F243-D247 PolarHBondContact O-N 3.05Å |
| 244 | M | 92.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.7 | -33.3 | 177.2 | -69.8 | 174 | 67.6 | 0 | 0 | 112.4 | I160 W187 I191 L240 A241 G248 M249 L250 W1689 | I160-M244 HydrophobicContact CD1-CE 4.16Å; I160-M244 HydrophobicContact CD1-SD 3.71Å; I160-M244 HydrophobicContact CG2-CE 3.92Å; W187-M244 HydrophobicContact CB-CE 4.46Å; I191-M244 HydrophobicContact CD1-SD 3.99Å; L240-M244 HydrophobicContact CD1-CG 4.26Å; L240-M244 HydrophobicContact CD1-SD 4.16Å; L240-M244 HydrophobicContact CG-SD 4Å; L240-M244 WeakPolarHBondContact O-CB 3.48Å; L240-M244 VanDerWaalsContact O-CG 3.31Å; L240-M244 WeakPolarHBondContact O-CG 3.3Å; L240-M244 PolarHBondContact O-N 3.41Å; A241-M244 PolarHBondContact O-N 2.92Å; M244-G248 PolarHBondContact O-N 3.43Å; M244-M249 HydrophobicContact CB-CB 4.16Å; M244-M249 HydrophobicContact CB-SD 4.4Å; M244-M249 HydrophobicContact CE-CE 4.01Å; M244-M249 HydrophobicContact CG-CE 4.46Å; M244-M249 HydrophobicContact CG-SD 3.98Å; M244-M249 WeakPolarHBondContact O-CB 3.5Å; M244-M249 PolarHBondContact O-N 3.06Å; M244-L250 HydrophobicContact CB-CD1 4.19Å; M244-L250 HydrophobicContact CB-CD2 4.16Å; M244-L250 HydrophobicContact CB-CG 3.83Å; M244-L250 HydrophobicContact CE-CD2 3.79Å; M244-L250 PolarHBondContact O-N 2.98Å; M244-W1689 HydrophobicContact CE-CH2 4.42Å |
| 245 | F | 92 | Very high | 91.8 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.5 | -38.3 | 173.5 | -176.4 | -90 | 0 | 0 | 0 | 111.8 | A241 L242 F243 G248 L250 R252 F255 L256 Y284 E287 | A241-F245 VanDerWaalsContact O-CB 3.24Å; A241-F245 WeakPolarHBondContact O-CB 3.44Å; A241-F245 PolarHBondContact O-N 3.2Å; L242-F245 PolarHBondContact O-N 3.16Å; F243-F245 VanDerWaalsContact C-N 3.33Å; F243-F245 PolarHBondContact O-N 2.97Å; F245-G248 PolarHBondContact O-N 3.21Å; F245-L250 HydrophobicContact CB-CD1 4.27Å; F245-R252 HydrophobicContact CD2-CB 4.38Å; F245-R252 HydrophobicContact CD2-CG 3.97Å; F245-R252 VanDerWaalsContact CE1-CZ 3.47Å; F245-R252 VanDerWaalsContact CE1-NH1 3.34Å; F245-R252 HydrophobicContact CE2-CB 3.7Å; F245-R252 HydrophobicContact CE2-CG 3.69Å; F245-R252 HydrophobicContact CZ-CB 4.16Å; F245-R252 HydrophobicContact CZ-CG 4.08Å; F245-R252 PolarHBondContact O-NH1 3.06Å; F245-F255 HydrophobicContact CD2-CB 4.36Å; F245-F255 AromaticContact CD2-CD1 3.52Å; F245-F255 HydrophobicContact CD2-CD1 3.52Å; F245-F255 HydrophobicContact CD2-CE1 4.12Å; F245-F255 HydrophobicContact CD2-CG 4.14Å; F245-F255 AromaticContact CE2-CD1 3.8Å; F245-F255 HydrophobicContact CE2-CD1 3.8Å; F245-F255 HydrophobicContact CG-CD1 4.44Å; F245-L256 HydrophobicContact CE2-CD1 4.49Å; F245-L256 HydrophobicContact CE2-CD2 4.3Å; F245-L256 HydrophobicContact CE2-CG 4.04Å; F245-L256 HydrophobicContact CZ-CD1 4.22Å; F245-L256 HydrophobicContact CZ-CD2 4.17Å; F245-L256 HydrophobicContact CZ-CG 4.14Å; F245-Y284 HydrophobicContact CD1-CD1 4.37Å; F245-Y284 AromaticContact CD1-CE1 3.83Å; F245-Y284 HydrophobicContact CD1-CE1 3.83Å; F245-Y284 HydrophobicContact CE1-CD1 4.02Å; F245-Y284 AromaticContact CE1-CE1 3.95Å; F245-Y284 HydrophobicContact CE1-CE1 3.95Å; F245-Y284 HydrophobicContact CG-CE1 4.13Å; F245-Y284 HydrophobicContact CZ-CD1 4.22Å; F245-Y284 HydrophobicContact CZ-CE1 4.36Å; F245-E287 HydrophobicContact CE1-CB 4.41Å; F245-E287 HydrophobicContact CE1-CG 3.83Å; F245-E287 WeakPolarHBondContact CE1-OE1 3.45Å; F245-E287 HydrophobicContact CZ-CB 4.16Å; F245-E287 HydrophobicContact CZ-CG 4.1Å |
| 246 | Q | 89.2 | Confident | 91.9 | Very high | 121 Ų | 121 | 23.6 Ų | 23.6 | 57% | 0.565 | 11% | 0.109 | S | C | * | . | H | α-helix | trans | -77.4 | -33 | 177.4 | -72.8 | 177.2 | -8.8 | 0 | 0 | 114 | L242 F243 G248 | L242-Q246 HydrophobicContact CD1-CG 4.39Å; L242-Q246 WeakPolarHBondContact O-CB 3.31Å; L242-Q246 VanDerWaalsContact O-CG 3.29Å; L242-Q246 WeakPolarHBondContact O-CG 3.32Å; L242-Q246 PolarHBondContact O-N 2.67Å; F243-Q246 PolarHBondContact O-N 3.32Å; Q246-G248 PolarHBondContact O-N 3.02Å |
| 247 | D | 84.1 | Confident | 91.8 | Very high | 24 Ų | 24 | 23.4 Ų | 23.4 | 13% | 0.128 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -5 | 172.4 | -166.6 | 56.3 | 0 | 0 | 0 | 112.4 | K161 F243 M249 R1647 P1688 | K161-D247 IonicContact NZ-OD2 3.72Å; K161-D247 PolarHBondContact NZ-OD2 2.78Å; F243-D247 HydrophobicContact CE1-CB 4.34Å; F243-D247 WeakPolarHBondContact O-CB 3.33Å; F243-D247 PolarHBondContact O-N 3.05Å; D247-M249 HydrophobicContact CB-CG 4.23Å; D247-R1647 IonicContact OD1-CZ 3.61Å; D247-R1647 VanDerWaalsContact OD1-CZ 3.26Å; D247-R1647 IonicContact OD1-NH1 2.71Å; D247-R1647 PolarHBondContact OD1-NH1 3.32Å; D247-R1647 IonicContact OD1-NH2 3.29Å; D247-R1647 PolarHBondContact OD1-NH2 2.92Å; D247-P1688 WeakPolarHBondContact O-CB 3.49Å; D247-P1688 WeakPolarHBondContact O-CG 3.32Å |
| 248 | G | 86.4 | Confident | 91.7 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 16.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F184 M244 F245 Q246 | F184-G248 WeakPolarHBondContact CE1-O 3.38Å; M244-G248 PolarHBondContact O-N 3.43Å; F245-G248 PolarHBondContact O-N 3.21Å; Q246-G248 PolarHBondContact O-N 3.02Å |
| 249 | M | 90.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -76 | -32.6 | -178 | -63.4 | 178.1 | 63.9 | 0 | 0 | 113.4 | A157 I160 K161 F184 M244 D247 P1688 W1689 | A157-M249 HydrophobicContact CB-SD 4.06Å; I160-M249 HydrophobicContact CG2-CE 4.06Å; K161-M249 HydrophobicContact CD-CE 4.23Å; K161-M249 HydrophobicContact CD-SD 4.46Å; K161-M249 WeakPolarHBondContact CE-SD 3.44Å; K161-M249 HydrophobicContact CG-CE 3.56Å; K161-M249 HydrophobicContact CG-SD 4.39Å; F184-M249 WeakPolarHBondContact CA-O 3.31Å; F184-M249 WeakPolarHBondContact CD1-O 3.49Å; M244-M249 HydrophobicContact CB-CB 4.16Å; M244-M249 HydrophobicContact CB-SD 4.4Å; M244-M249 HydrophobicContact CE-CE 4.01Å; M244-M249 HydrophobicContact CG-CE 4.46Å; M244-M249 HydrophobicContact CG-SD 3.98Å; M244-M249 WeakPolarHBondContact O-CB 3.5Å; M244-M249 PolarHBondContact O-N 3.06Å; D247-M249 HydrophobicContact CB-CG 4.23Å; M249-P1688 HydrophobicContact CG-CB 4.43Å; M249-W1689 HydrophobicContact CB-CZ2 3.87Å; M249-W1689 HydrophobicContact CE-CD2 4.41Å; M249-W1689 HydrophobicContact CE-CE3 4.04Å; M249-W1689 HydrophobicContact CE-CH2 3.43Å; M249-W1689 VanDerWaalsContact CE-CH2 3.43Å; M249-W1689 HydrophobicContact CE-CZ2 3.86Å; M249-W1689 HydrophobicContact CE-CZ3 3.54Å; M249-W1689 WeakPolarHBondContact O-CZ2 3.4Å; M249-W1689 PolarHBondContact O-NE1 2.88Å | ||
| 250 | L | 92.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.016 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -86.8 | 149.6 | -179.9 | -59.8 | -173.7 | 0 | 0 | 0 | 111.6 | T188 I191 M244 F245 R252 F255 | T188-L250 WeakPolarHBondContact OG1-CB 3.4Å; I191-L250 HydrophobicContact CG2-CD1 4.26Å; I191-L250 HydrophobicContact CG2-CD2 4.12Å; M244-L250 HydrophobicContact CB-CD1 4.19Å; M244-L250 HydrophobicContact CB-CD2 4.16Å; M244-L250 HydrophobicContact CB-CG 3.83Å; M244-L250 HydrophobicContact CE-CD2 3.79Å; M244-L250 PolarHBondContact O-N 2.98Å; F245-L250 HydrophobicContact CB-CD1 4.27Å; L250-R252 PolarHBondContact O-N 2.68Å; L250-R252 VanDerWaalsContact O-N 3.14Å; L250-F255 HydrophobicContact CD1-CD2 3.69Å; L250-F255 HydrophobicContact CD1-CE2 3.98Å; L250-F255 HydrophobicContact CD1-CG 4.12Å |
| 251 | D | 91.2 | Very high | 91.4 | Very high | 20 Ų | 20 | 22 Ų | 22 | 11% | 0.107 | 11% | 0.105 | C | C | . | . | trans | -65.1 | 110.9 | 159.1 | -172 | -54.6 | 0 | 0 | 0 | 108.8 | F184 T188 H253 E254 F255 K1644 | F184-D251 HydrophobicContact CB-CB 4.23Å; T188-D251 PolarHBondContact OG1-N 3.03Å; D251-H253 PolarHBondContact OD1-N 3.05Å; D251-E254 HydrophobicContact CB-CB 3.97Å; D251-E254 PolarHBondContact OD1-N 2.7Å; D251-F255 WeakPolarHBondContact O-CB 3.45Å; D251-F255 PolarHBondContact O-N 3.25Å; D251-K1644 WeakPolarHBondContact OD2-CE 3.47Å; D251-K1644 IonicContact OD2-NZ 3.42Å; D251-K1644 PolarHBondContact OD2-NZ 3.35Å | ||
| 252 | R | 91.9 | Very high | 91.2 | Very high | 19 Ų | 19 | 22.1 Ų | 22.1 | 7% | 0.072 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -69.7 | -33.2 | -172.9 | -66.5 | 171.1 | 68.1 | 97.3 | -7.6 | 112.4 | F245 L250 L256 E287 L1642 | F245-R252 HydrophobicContact CD2-CB 4.38Å; F245-R252 HydrophobicContact CD2-CG 3.97Å; F245-R252 VanDerWaalsContact CE1-CZ 3.47Å; F245-R252 VanDerWaalsContact CE1-NH1 3.34Å; F245-R252 HydrophobicContact CE2-CB 3.7Å; F245-R252 HydrophobicContact CE2-CG 3.69Å; F245-R252 HydrophobicContact CZ-CB 4.16Å; F245-R252 HydrophobicContact CZ-CG 4.08Å; F245-R252 PolarHBondContact O-NH1 3.06Å; L250-R252 PolarHBondContact O-N 2.68Å; L250-R252 VanDerWaalsContact O-N 3.14Å; R252-L256 WeakPolarHBondContact O-CB 3.34Å; R252-L256 VanDerWaalsContact O-CG 3.25Å; R252-L256 WeakPolarHBondContact O-CG 3.49Å; R252-L256 PolarHBondContact O-N 3.44Å; R252-L256 VanDerWaalsContact O-N 3.08Å; R252-E287 IonicContact CZ-OE1 2.7Å; R252-E287 IonicContact CZ-OE2 2.67Å; R252-E287 IonicContact NH1-OE1 2.64Å; R252-E287 IonicContact NH2-OE1 2.65Å; R252-E287 PolarHBondContact NH2-OE1 3.28Å; R252-E287 IonicContact NH2-OE2 2.86Å; R252-E287 PolarHBondContact NH2-OE2 3.28Å; R252-L1642 HydrophobicContact CB-CD1 4.29Å |
| 253 | H | 90.9 | Very high | 91.1 | Very high | 27 Ų | 27 | 20.9 Ų | 20.9 | 13% | 0.125 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -76.8 | -44.2 | -178.6 | -166.4 | 78 | 0 | 0 | 0 | 110.8 | D251 T257 L1642 | D251-H253 PolarHBondContact OD1-N 3.05Å; H253-T257 WeakPolarHBondContact O-CB 3.42Å; H253-T257 PolarHBondContact O-N 3.03Å; H253-T257 PolarHBondContact O-OG1 2.93Å; H253-L1642 HydrophobicContact CB-CB 4.12Å; H253-L1642 HydrophobicContact CB-CG 4.44Å |
| 254 | E | 90.5 | Very high | 90.8 | Very high | 55 Ų | 55 | 22.3 Ų | 22.3 | 26% | 0.257 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 174.5 | -172.1 | 173.9 | -160.5 | 0 | 0 | 111.6 | T185 T188 Q189 D251 T257 W258 | T185-E254 WeakPolarHBondContact CA-OE2 3.33Å; T185-E254 WeakPolarHBondContact CB-OE2 3.28Å; T185-E254 WeakPolarHBondContact CG2-OE2 3.47Å; T185-E254 PolarHBondContact OG1-OE2 2.91Å; T185-E254 VanDerWaalsContact OG1-OE2 3.06Å; T188-E254 HydrophobicContact CG2-CB 4.06Å; T188-E254 HydrophobicContact CG2-CG 3.8Å; Q189-E254 VanDerWaalsContact CG-OE1 3.31Å; Q189-E254 WeakPolarHBondContact CG-OE1 3.43Å; Q189-E254 PolarHBondContact NE2-OE1 2.91Å; D251-E254 HydrophobicContact CB-CB 3.97Å; D251-E254 PolarHBondContact OD1-N 2.7Å; E254-T257 PolarHBondContact O-N 2.76Å; E254-W258 PolarHBondContact O-N 2.92Å |
| 255 | F | 94.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.009 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.2 | -46.8 | 176.3 | -176.5 | -96.6 | 0 | 0 | 0 | 112.9 | T188 T192 A241 F245 L250 D251 T257 W258 V259 Y284 | T188-F255 HydrophobicContact CG2-CB 4.16Å; T192-F255 HydrophobicContact CG2-CD2 3.75Å; T192-F255 HydrophobicContact CG2-CE2 4.18Å; A241-F255 HydrophobicContact CB-CE2 4.03Å; A241-F255 HydrophobicContact CB-CZ 4.02Å; F245-F255 HydrophobicContact CD2-CB 4.36Å; F245-F255 AromaticContact CD2-CD1 3.52Å; F245-F255 HydrophobicContact CD2-CD1 3.52Å; F245-F255 HydrophobicContact CD2-CE1 4.12Å; F245-F255 HydrophobicContact CD2-CG 4.14Å; F245-F255 AromaticContact CE2-CD1 3.8Å; F245-F255 HydrophobicContact CE2-CD1 3.8Å; F245-F255 HydrophobicContact CG-CD1 4.44Å; L250-F255 HydrophobicContact CD1-CD2 3.69Å; L250-F255 HydrophobicContact CD1-CE2 3.98Å; L250-F255 HydrophobicContact CD1-CG 4.12Å; D251-F255 WeakPolarHBondContact O-CB 3.45Å; D251-F255 PolarHBondContact O-N 3.25Å; F255-T257 VanDerWaalsContact C-N 3.31Å; F255-T257 PolarHBondContact O-N 3.12Å; F255-W258 HydrophobicContact CD2-CE3 4.4Å; F255-W258 HydrophobicContact CE2-CE3 4.11Å; F255-W258 HydrophobicContact CE2-CZ3 4.09Å; F255-W258 HydrophobicContact CZ-CZ3 4.28Å; F255-W258 PolarHBondContact O-N 3.35Å; F255-V259 HydrophobicContact CD1-CG2 4.09Å; F255-V259 HydrophobicContact CE1-CG2 3.69Å; F255-V259 HydrophobicContact CZ-CG2 4.07Å; F255-V259 WeakPolarHBondContact O-CG2 3.34Å; F255-V259 PolarHBondContact O-N 3.41Å; F255-Y284 HydrophobicContact CE1-CE1 4.03Å; F255-Y284 HydrophobicContact CE1-CE2 4.05Å; F255-Y284 AromaticContact CE1-CZ 3.69Å |
| 256 | L | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.5 | -33 | 176.8 | -69.8 | 172.8 | 0 | 0 | 0 | 112.4 | F245 R252 V259 L260 Y284 E287 F288 L294 L1642 | F245-L256 HydrophobicContact CE2-CD1 4.49Å; F245-L256 HydrophobicContact CE2-CD2 4.3Å; F245-L256 HydrophobicContact CE2-CG 4.04Å; F245-L256 HydrophobicContact CZ-CD1 4.22Å; F245-L256 HydrophobicContact CZ-CD2 4.17Å; F245-L256 HydrophobicContact CZ-CG 4.14Å; R252-L256 WeakPolarHBondContact O-CB 3.34Å; R252-L256 VanDerWaalsContact O-CG 3.25Å; R252-L256 WeakPolarHBondContact O-CG 3.49Å; R252-L256 PolarHBondContact O-N 3.44Å; R252-L256 VanDerWaalsContact O-N 3.08Å; L256-V259 PolarHBondContact O-N 2.95Å; L256-L260 PolarHBondContact O-N 3.43Å; L256-Y284 HydrophobicContact CD2-CD1 4.07Å; L256-Y284 HydrophobicContact CD2-CG 4.02Å; L256-E287 HydrophobicContact CD1-CB 3.94Å; L256-E287 HydrophobicContact CD2-CB 4.25Å; L256-F288 HydrophobicContact CB-CE1 4.04Å; L256-F288 HydrophobicContact CB-CZ 4.19Å; L256-F288 HydrophobicContact CD2-CD2 4.26Å; L256-F288 HydrophobicContact CD2-CE1 4.5Å; L256-F288 HydrophobicContact CD2-CE2 3.92Å; L256-F288 HydrophobicContact CD2-CZ 4.04Å; L256-F288 WeakPolarHBondContact O-CE1 3.49Å; L256-F288 WeakPolarHBondContact O-CZ 3.41Å; L256-L294 HydrophobicContact CB-CD1 3.76Å; L256-L294 HydrophobicContact CD1-CD1 4.22Å; L256-L1642 HydrophobicContact CD1-CD1 3.69Å |
| 257 | T | 92.3 | Very high | 89.7 | Confident | 24 Ų | 24 | 29.3 Ų | 29.3 | 15% | 0.147 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.6 | -46.1 | 171.7 | -57 | 0 | 0 | 0 | 0 | 110.6 | H253 E254 F255 L260 E261 L294 | H253-T257 WeakPolarHBondContact O-CB 3.42Å; H253-T257 PolarHBondContact O-N 3.03Å; H253-T257 PolarHBondContact O-OG1 2.93Å; E254-T257 PolarHBondContact O-N 2.76Å; F255-T257 VanDerWaalsContact C-N 3.31Å; F255-T257 PolarHBondContact O-N 3.12Å; T257-L260 PolarHBondContact O-N 3.33Å; T257-E261 PolarHBondContact O-N 3.28Å; T257-L294 WeakPolarHBondContact OG1-CD2 3.48Å |
| 258 | W | 93.9 | Very high | 89.1 | Confident | 26 Ų | 26 | 33 Ų | 33 | 10% | 0.098 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.4 | -42.4 | 174.2 | 170.8 | 81.9 | 0 | 0 | 0 | 112.9 | T192 L195 W196 W234 E254 F255 L260 E261 C262 | T192-W258 VanDerWaalsContact CB-CG 3.49Å; T192-W258 HydrophobicContact CG2-CB 3.86Å; T192-W258 HydrophobicContact CG2-CD2 3.48Å; T192-W258 VanDerWaalsContact CG2-CD2 3.48Å; T192-W258 HydrophobicContact CG2-CE3 3.66Å; T192-W258 HydrophobicContact CG2-CG 3.56Å; T192-W258 HydrophobicContact CG2-CZ3 4.45Å; T192-W258 WeakPolarHBondContact O-CZ2 3.4Å; T192-W258 PolarHBondContact O-NE1 3.34Å; L195-W258 HydrophobicContact CB-CH2 3.53Å; L195-W258 HydrophobicContact CB-CZ2 3.65Å; L195-W258 HydrophobicContact CD1-CH2 3.78Å; L195-W258 HydrophobicContact CD1-CZ3 4.12Å; L195-W258 HydrophobicContact CG-CH2 4.29Å; W196-W258 HydrophobicContact CB-CZ2 4.46Å; W234-W258 HydrophobicContact CH2-CH2 4.33Å; W234-W258 HydrophobicContact CZ3-CH2 4.35Å; E254-W258 PolarHBondContact O-N 2.92Å; F255-W258 HydrophobicContact CD2-CE3 4.4Å; F255-W258 HydrophobicContact CE2-CE3 4.11Å; F255-W258 HydrophobicContact CE2-CZ3 4.09Å; F255-W258 HydrophobicContact CZ-CZ3 4.28Å; F255-W258 PolarHBondContact O-N 3.35Å; W258-L260 VanDerWaalsContact C-N 3.27Å; W258-L260 PolarHBondContact O-N 3.25Å; W258-E261 PolarHBondContact O-N 2.89Å; W258-C262 WeakPolarHBondContact CZ2-SG 3.42Å; W258-C262 PolarHBondContact O-N 3.39Å; W258-C262 PolarHBondContact O-SG 3.05Å |
| 259 | V | 93.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56 | -45.5 | 175.5 | 171 | 0 | 0 | 0 | 0 | 110 | F255 L256 C262 F263 L280 L281 Y284 F288 | F255-V259 HydrophobicContact CD1-CG2 4.09Å; F255-V259 HydrophobicContact CE1-CG2 3.69Å; F255-V259 HydrophobicContact CZ-CG2 4.07Å; F255-V259 WeakPolarHBondContact O-CG2 3.34Å; F255-V259 PolarHBondContact O-N 3.41Å; L256-V259 PolarHBondContact O-N 2.95Å; V259-C262 WeakPolarHBondContact O-CB 3.5Å; V259-C262 PolarHBondContact O-N 3.46Å; V259-F263 HydrophobicContact CG1-CE2 4.21Å; V259-F263 WeakPolarHBondContact O-CD2 3.32Å; V259-L280 HydrophobicContact CG1-CD2 4.25Å; V259-L280 HydrophobicContact CG1-CG 4.47Å; V259-L281 HydrophobicContact CG1-CD1 4.46Å; V259-Y284 HydrophobicContact CG2-CD2 4.45Å; V259-F288 HydrophobicContact CB-CZ 4.21Å; V259-F288 HydrophobicContact CG1-CE2 4.14Å; V259-F288 HydrophobicContact CG1-CZ 4.01Å |
| 260 | L | 91.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.6 | -42.4 | 179 | -177.7 | 54.8 | 0 | 0 | 0 | 112.9 | L256 T257 W258 C262 F263 E264 F288 R297 L298 | L256-L260 PolarHBondContact O-N 3.43Å; T257-L260 PolarHBondContact O-N 3.33Å; W258-L260 VanDerWaalsContact C-N 3.27Å; W258-L260 PolarHBondContact O-N 3.25Å; L260-C262 PolarHBondContact O-N 3.23Å; L260-F263 PolarHBondContact O-N 3.06Å; L260-E264 HydrophobicContact CD1-CG 4.39Å; L260-E264 HydrophobicContact CG-CG 4.33Å; L260-E264 PolarHBondContact O-N 3.3Å; L260-F288 HydrophobicContact CB-CE1 3.97Å; L260-F288 HydrophobicContact CB-CZ 4.13Å; L260-F288 HydrophobicContact CD2-CE1 4.35Å; L260-R297 HydrophobicContact CD2-CB 3.44Å; L260-R297 VanDerWaalsContact CD2-CB 3.44Å; L260-L298 HydrophobicContact CD1-CB 4.1Å; L260-L298 HydrophobicContact CD1-CD1 3.93Å; L260-L298 HydrophobicContact CD2-CB 4.24Å |
| 261 | E | 90.3 | Very high | 87.3 | Confident | 63 Ų | 63 | 38.3 Ų | 38.3 | 29% | 0.294 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57.1 | -31.5 | 173.1 | -83.6 | -174.1 | -144.2 | 0 | 0 | 112.8 | T257 W258 F263 K265 | T257-E261 PolarHBondContact O-N 3.28Å; W258-E261 PolarHBondContact O-N 2.89Å; E261-F263 VanDerWaalsContact C-N 3.25Å; E261-F263 PolarHBondContact O-N 2.94Å; E261-K265 WeakPolarHBondContact O-CB 3.48Å; E261-K265 VanDerWaalsContact O-CD 3.27Å; E261-K265 WeakPolarHBondContact O-CD 3.48Å; E261-K265 WeakPolarHBondContact O-CG 3.49Å; E261-K265 PolarHBondContact O-N 3.48Å; E261-K265 VanDerWaalsContact O-N 3.17Å; E261-K265 IonicContact OE2-NZ 3.61Å; E261-K265 PolarHBondContact OE2-NZ 3.48Å |
| 262 | C | 89.3 | Confident | 86.8 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.5 | -31.2 | 174.6 | -70.8 | 0 | 0 | 0 | 0 | 112.8 | W196 L199 W258 V259 L260 I266 | W196-C262 VanDerWaalsContact CE3-SG 3.51Å; W196-C262 HydrophobicContact CZ3-CB 4.11Å; L199-C262 HydrophobicContact CD2-CB 4.23Å; W258-C262 WeakPolarHBondContact CZ2-SG 3.42Å; W258-C262 PolarHBondContact O-N 3.39Å; W258-C262 PolarHBondContact O-SG 3.05Å; V259-C262 WeakPolarHBondContact O-CB 3.5Å; V259-C262 PolarHBondContact O-N 3.46Å; L260-C262 PolarHBondContact O-N 3.23Å; C262-I266 VanDerWaalsContact O-CG1 3.32Å; C262-I266 WeakPolarHBondContact O-CG1 3.07Å |
| 263 | F | 89.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -83.9 | -43.7 | 175.9 | -71.4 | -82 | 0 | 0 | 0 | 112.4 | V259 L260 E261 K265 I266 L274 L277 L281 F301 | V259-F263 HydrophobicContact CG1-CE2 4.21Å; V259-F263 WeakPolarHBondContact O-CD2 3.32Å; L260-F263 PolarHBondContact O-N 3.06Å; E261-F263 VanDerWaalsContact C-N 3.25Å; E261-F263 PolarHBondContact O-N 2.94Å; F263-K265 PolarHBondContact O-N 2.95Å; F263-K265 VanDerWaalsContact O-N 3.14Å; F263-I266 HydrophobicContact CD1-CD1 3.94Å; F263-I266 WeakPolarHBondContact O-CB 3.25Å; F263-I266 PolarHBondContact O-N 3.21Å; F263-I266 VanDerWaalsContact O-N 3.07Å; F263-L274 HydrophobicContact CD1-CD1 3.67Å; F263-L274 HydrophobicContact CE1-CD1 4.07Å; F263-L277 HydrophobicContact CE1-CB 3.49Å; F263-L277 VanDerWaalsContact CE1-CB 3.49Å; F263-L277 HydrophobicContact CZ-CB 3.58Å; F263-L277 WeakPolarHBondContact CZ-O 3.32Å; F263-L281 HydrophobicContact CD1-CD2 4.15Å; F263-L281 HydrophobicContact CD2-CB 4.43Å; F263-L281 HydrophobicContact CD2-CD1 3.9Å; F263-L281 HydrophobicContact CD2-CD2 4.1Å; F263-L281 HydrophobicContact CD2-CG 4.38Å; F263-L281 HydrophobicContact CE1-CB 4.24Å; F263-L281 HydrophobicContact CE1-CD2 4.16Å; F263-L281 HydrophobicContact CE2-CB 3.71Å; F263-L281 HydrophobicContact CE2-CD1 3.85Å; F263-L281 HydrophobicContact CE2-CD2 4.16Å; F263-L281 HydrophobicContact CE2-CG 4.13Å; F263-L281 HydrophobicContact CG-CD2 4.13Å; F263-L281 HydrophobicContact CZ-CB 3.6Å; F263-L281 HydrophobicContact CZ-CD2 4.19Å; F263-L281 HydrophobicContact CZ-CG 4.34Å; F263-F301 HydrophobicContact CB-CD1 4.42Å; F263-F301 HydrophobicContact CB-CD2 4.41Å; F263-F301 HydrophobicContact CB-CE1 3.94Å; F263-F301 HydrophobicContact CB-CE2 3.92Å; F263-F301 HydrophobicContact CB-CZ 3.68Å; F263-F301 HydrophobicContact CD1-CE1 4.39Å; F263-F301 HydrophobicContact CD1-CZ 4.29Å; F263-F301 HydrophobicContact CG-CE1 4.45Å; F263-F301 HydrophobicContact CG-CZ 4.42Å; F263-F301 VanDerWaalsContact O-CE2 3.23Å; F263-F301 WeakPolarHBondContact O-CE2 3.47Å |
| 264 | E | 86.5 | Confident | 86.4 | Confident | 81 Ų | 81 | 38.9 Ų | 38.9 | 38% | 0.379 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.3 | -27.6 | 176.9 | -69.6 | 173.5 | 171 | 0 | 0 | 112.7 | L260 R297 | L260-E264 HydrophobicContact CD1-CG 4.39Å; L260-E264 HydrophobicContact CG-CG 4.33Å; L260-E264 PolarHBondContact O-N 3.3Å; E264-R297 VanDerWaalsContact CD-NH2 3.26Å; E264-R297 IonicContact OE1-CZ 3.26Å; E264-R297 IonicContact OE1-NE 3.42Å; E264-R297 PolarHBondContact OE1-NE 3.31Å; E264-R297 IonicContact OE1-NH2 2.96Å; E264-R297 PolarHBondContact OE1-NH2 3.35Å; E264-R297 IonicContact OE2-CZ 3.19Å; E264-R297 IonicContact OE2-NE 3.38Å; E264-R297 IonicContact OE2-NH2 2.69Å; E264-R297 PolarHBondContact OE2-NH2 2.82Å |
| 265 | K | 85.7 | Confident | 86.2 | Confident | 101 Ų | 101 | 39 Ų | 39 | 44% | 0.439 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -6.9 | 179.4 | -68.9 | 166.4 | -165.9 | 166.2 | 0 | 114.9 | W196 E261 F263 | W196-K265 HydrophobicContact CH2-CB 3.89Å; W196-K265 HydrophobicContact CH2-CD 3.5Å; W196-K265 HydrophobicContact CH2-CG 4.33Å; W196-K265 HydrophobicContact CZ2-CD 3.76Å; W196-K265 HydrophobicContact CZ3-CD 4.34Å; E261-K265 WeakPolarHBondContact O-CB 3.48Å; E261-K265 VanDerWaalsContact O-CD 3.27Å; E261-K265 WeakPolarHBondContact O-CD 3.48Å; E261-K265 WeakPolarHBondContact O-CG 3.49Å; E261-K265 PolarHBondContact O-N 3.48Å; E261-K265 VanDerWaalsContact O-N 3.17Å; E261-K265 IonicContact OE2-NZ 3.61Å; E261-K265 PolarHBondContact OE2-NZ 3.48Å; F263-K265 PolarHBondContact O-N 2.95Å; F263-K265 VanDerWaalsContact O-N 3.14Å |
| 266 | I | 84.5 | Confident | 85.7 | Confident | 13 Ų | 13 | 42.4 Ų | 42.4 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -75.6 | 132.2 | 175.6 | -53 | 173.1 | 0 | 0 | 0 | 108.8 | C262 F263 E270 L273 L274 L277 R305 | C262-I266 VanDerWaalsContact O-CG1 3.32Å; C262-I266 WeakPolarHBondContact O-CG1 3.07Å; F263-I266 HydrophobicContact CD1-CD1 3.94Å; F263-I266 WeakPolarHBondContact O-CB 3.25Å; F263-I266 PolarHBondContact O-N 3.21Å; F263-I266 VanDerWaalsContact O-N 3.07Å; I266-E270 HydrophobicContact CG2-CB 3.65Å; I266-L273 HydrophobicContact CG2-CD2 4.44Å; I266-L274 HydrophobicContact CD1-CB 4.28Å; I266-L274 HydrophobicContact CD1-CD1 3.98Å; I266-L274 HydrophobicContact CG2-CB 4.48Å; I266-L277 HydrophobicContact CD1-CD1 3.82Å; I266-R305 VanDerWaalsContact C-NH2 3.34Å; I266-R305 PolarHBondContact O-NH2 3.39Å |
| 267 | R | 79.8 | Confident | 85.4 | Confident | 155 Ų | 155 | 42.5 Ų | 42.5 | 59% | 0.585 | 22% | 0.22 | S | C | * | . | P | Polyproline II helix | trans | -78 | 155.7 | -178.4 | -60.5 | 178.9 | 176 | -171 | -1.6 | 112.3 | G269 E270 R305 | R267-G269 PolarHBondContact O-N 3.28Å; R267-E270 HydrophobicContact CB-CG 4.13Å; R267-E270 WeakPolarHBondContact CB-OE2 3.31Å; R267-E270 PolarHBondContact N-OE2 3.17Å; R267-E270 PolarHBondContact O-N 2.91Å; R267-R305 PolarHBondContact O-NH2 3.19Å |
| 268 | P | 71.4 | Confident | 85.4 | Confident | 100 Ų | 100 | 41.9 Ų | 41.9 | 65% | 0.649 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 134.8 | 162.1 | -22.8 | 34.4 | 0 | 0 | 0 | 109.9 | ||
| 269 | G | 70.3 | Confident | 85.1 | Confident | 65 Ų | 65 | 44.6 Ų | 44.6 | 67% | 0.67 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | -15 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | R267 D271 | R267-G269 PolarHBondContact O-N 3.28Å; G269-D271 PolarHBondContact O-N 2.84Å |
| 270 | E | 80.9 | Confident | 85 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | trans | -81.2 | 44.7 | 172.2 | -69.1 | 175.6 | 158.3 | 0 | 0 | 111.4 | R207 I266 R267 E272 L273 L274 | R207-E270 IonicContact CZ-OE1 2.72Å; R207-E270 VanDerWaalsContact CZ-OE1 3.25Å; R207-E270 IonicContact NE-OE1 2.62Å; R207-E270 PolarHBondContact NE-OE1 2.82Å; R207-E270 IonicContact NH2-OE1 3.68Å; R207-E270 PolarHBondContact NH2-OE1 3.45Å; I266-E270 HydrophobicContact CG2-CB 3.65Å; R267-E270 HydrophobicContact CB-CG 4.13Å; R267-E270 WeakPolarHBondContact CB-OE2 3.31Å; R267-E270 PolarHBondContact N-OE2 3.17Å; R267-E270 PolarHBondContact O-N 2.91Å; E270-E272 PolarHBondContact O-N 3.28Å; E270-L273 HydrophobicContact CB-CB 4.46Å; E270-L273 WeakPolarHBondContact O-CB 3.37Å; E270-L273 PolarHBondContact O-N 3.26Å; E270-L274 PolarHBondContact O-N 3.46Å; E270-L274 VanDerWaalsContact O-N 3.1Å | ||
| 271 | D | 80.7 | Confident | 84.9 | Confident | 36 Ų | 36 | 45.4 Ų | 45.4 | 19% | 0.193 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.7 | -32.8 | -166.2 | -80.5 | 2.5 | 0 | 0 | 0 | 114.3 | G269 L273 L274 K275 R305 H356 L359 | G269-D271 PolarHBondContact O-N 2.84Å; D271-L273 VanDerWaalsContact C-N 3.31Å; D271-L273 PolarHBondContact O-N 2.93Å; D271-L274 WeakPolarHBondContact O-CB 3.5Å; D271-L274 PolarHBondContact O-N 3.29Å; D271-K275 VanDerWaalsContact O-CB 3.3Å; D271-K275 WeakPolarHBondContact O-CB 3.44Å; D271-K275 PolarHBondContact O-N 3.43Å; D271-R305 IonicContact OD1-NH1 2.63Å; D271-R305 PolarHBondContact OD1-NH1 3.04Å; D271-H356 IonicContact OD2-CD2 3.75Å; D271-H356 IonicContact OD2-NE2 3.88Å; D271-H356 PolarHBondContact OD2-NE2 2.83Å; D271-L359 HydrophobicContact CB-CD1 4.17Å |
| 272 | E | 81.3 | Confident | 84.9 | Confident | 68 Ų | 68 | 45.6 Ų | 45.6 | 32% | 0.318 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.6 | -28.8 | 173.5 | -71.7 | -66.4 | 164.2 | 0 | 0 | 111.9 | Y206 E270 K275 L276 Q355 | Y206-E272 HydrophobicContact CD1-CB 4.26Å; E270-E272 PolarHBondContact O-N 3.28Å; E272-K275 VanDerWaalsContact CD-NZ 3.33Å; E272-K275 PolarHBondContact O-N 3.17Å; E272-K275 IonicContact OE1-NZ 3.28Å; E272-K275 PolarHBondContact OE1-NZ 3.35Å; E272-K275 WeakPolarHBondContact OE2-CD 3.25Å; E272-K275 WeakPolarHBondContact OE2-CE 3.28Å; E272-K275 IonicContact OE2-NZ 2.79Å; E272-K275 PolarHBondContact OE2-NZ 2.81Å; E272-L276 WeakPolarHBondContact O-CB 3.33Å; E272-L276 PolarHBondContact O-N 3.33Å; E272-Q355 WeakPolarHBondContact OE1-CG 3.46Å; E272-Q355 PolarHBondContact OE1-NE2 3.11Å |
| 273 | L | 85.2 | Confident | 85 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 5% | 0.047 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71 | -41.2 | 171.8 | -177.9 | 66.3 | 0 | 0 | 0 | 111 | L199 A203 Y206 I266 E270 D271 K275 L276 L277 | L199-L273 HydrophobicContact CD1-CD1 4.04Å; A203-L273 HydrophobicContact CB-CD1 4.42Å; A203-L273 HydrophobicContact CB-CD2 3.59Å; Y206-L273 HydrophobicContact CD2-CD1 4.23Å; I266-L273 HydrophobicContact CG2-CD2 4.44Å; E270-L273 HydrophobicContact CB-CB 4.46Å; E270-L273 WeakPolarHBondContact O-CB 3.37Å; E270-L273 PolarHBondContact O-N 3.26Å; D271-L273 VanDerWaalsContact C-N 3.31Å; D271-L273 PolarHBondContact O-N 2.93Å; L273-K275 VanDerWaalsContact C-N 3.3Å; L273-K275 PolarHBondContact O-N 2.89Å; L273-L276 PolarHBondContact O-N 3.14Å; L273-L277 WeakPolarHBondContact O-CG 3.15Å; L273-L277 PolarHBondContact O-N 2.89Å; L273-L277 VanDerWaalsContact O-N 3.08Å |
| 274 | L | 87.5 | Confident | 85.2 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 172.3 | 178.7 | 59.5 | 0 | 0 | 0 | 111.4 | F263 I266 E270 D271 L277 L278 F301 L359 | F263-L274 HydrophobicContact CD1-CD1 3.67Å; F263-L274 HydrophobicContact CE1-CD1 4.07Å; I266-L274 HydrophobicContact CD1-CB 4.28Å; I266-L274 HydrophobicContact CD1-CD1 3.98Å; I266-L274 HydrophobicContact CG2-CB 4.48Å; E270-L274 PolarHBondContact O-N 3.46Å; E270-L274 VanDerWaalsContact O-N 3.1Å; D271-L274 WeakPolarHBondContact O-CB 3.5Å; D271-L274 PolarHBondContact O-N 3.29Å; L274-L277 PolarHBondContact O-N 3.44Å; L274-L278 WeakPolarHBondContact O-CB 3.34Å; L274-L278 PolarHBondContact O-N 3.15Å; L274-F301 HydrophobicContact CD1-CE1 4.37Å; L274-F301 HydrophobicContact CD1-CZ 3.9Å; L274-L359 HydrophobicContact CB-CD2 4.4Å; L274-L359 HydrophobicContact CD2-CD1 4.28Å; L274-L359 HydrophobicContact CD2-CD2 4.19Å; L274-L359 HydrophobicContact CG-CD2 3.83Å |
| 275 | K | 86.7 | Confident | 85.4 | Confident | 57 Ų | 57 | 49.4 Ų | 49.4 | 25% | 0.248 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.9 | -37.8 | 178 | 179 | 170.8 | 151.3 | -152.9 | 0 | 113.1 | D271 E272 L273 L277 L359 | D271-K275 VanDerWaalsContact O-CB 3.3Å; D271-K275 WeakPolarHBondContact O-CB 3.44Å; D271-K275 PolarHBondContact O-N 3.43Å; E272-K275 VanDerWaalsContact CD-NZ 3.33Å; E272-K275 PolarHBondContact O-N 3.17Å; E272-K275 IonicContact OE1-NZ 3.28Å; E272-K275 PolarHBondContact OE1-NZ 3.35Å; E272-K275 WeakPolarHBondContact OE2-CD 3.25Å; E272-K275 WeakPolarHBondContact OE2-CE 3.28Å; E272-K275 IonicContact OE2-NZ 2.79Å; E272-K275 PolarHBondContact OE2-NZ 2.81Å; L273-K275 VanDerWaalsContact C-N 3.3Å; L273-K275 PolarHBondContact O-N 2.89Å; K275-L277 VanDerWaalsContact C-N 3.32Å; K275-L359 HydrophobicContact CB-CD2 3.83Å; K275-L359 HydrophobicContact CB-CG 4.42Å |
| 276 | L | 84.8 | Confident | 85.6 | Confident | 74 Ų | 74 | 46.5 Ų | 46.5 | 39% | 0.387 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 172.3 | 178.1 | 62.6 | 0 | 0 | 0 | 111.8 | M202 Y206 E272 L273 | M202-L276 HydrophobicContact SD-CD2 4.17Å; Y206-L276 HydrophobicContact CD2-CD2 4.47Å; Y206-L276 HydrophobicContact CE2-CD2 3.69Å; E272-L276 WeakPolarHBondContact O-CB 3.33Å; E272-L276 PolarHBondContact O-N 3.33Å; L273-L276 PolarHBondContact O-N 3.14Å |
| 277 | L | 88.3 | Confident | 86 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -84.2 | -28.1 | -177.9 | -71 | 178.2 | 0 | 0 | 0 | 114.4 | L199 W234 F263 I266 L273 L274 K275 P279 L280 | L199-L277 HydrophobicContact CD1-CD1 4Å; L199-L277 HydrophobicContact CD1-CD2 3.93Å; L199-L277 HydrophobicContact CD1-CG 4.3Å; L199-L277 HydrophobicContact CD2-CD1 3.98Å; L199-L277 HydrophobicContact CD2-CD2 4.41Å; W234-L277 HydrophobicContact CH2-CD2 3.88Å; W234-L277 HydrophobicContact CZ2-CD2 3.48Å; W234-L277 VanDerWaalsContact CZ2-CD2 3.48Å; F263-L277 HydrophobicContact CE1-CB 3.49Å; F263-L277 VanDerWaalsContact CE1-CB 3.49Å; F263-L277 HydrophobicContact CZ-CB 3.58Å; F263-L277 WeakPolarHBondContact CZ-O 3.32Å; I266-L277 HydrophobicContact CD1-CD1 3.82Å; L273-L277 WeakPolarHBondContact O-CG 3.15Å; L273-L277 PolarHBondContact O-N 2.89Å; L273-L277 VanDerWaalsContact O-N 3.08Å; L274-L277 PolarHBondContact O-N 3.44Å; K275-L277 VanDerWaalsContact C-N 3.32Å; L277-P279 VanDerWaalsContact C-N 3.3Å; L277-P279 WeakPolarHBondContact O-CD 3.4Å; L277-L280 WeakPolarHBondContact O-CA 3.27Å; L277-L280 WeakPolarHBondContact O-CB 3.14Å; L277-L280 PolarHBondContact O-N 2.96Å |
| 278 | L | 90.7 | Very high | 86.6 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -45 | -39.5 | -175.3 | 177.2 | 66 | 0 | 0 | 0 | 115.7 | L274 L280 L281 L282 P358 L359 I366 | L274-L278 WeakPolarHBondContact O-CB 3.34Å; L274-L278 PolarHBondContact O-N 3.15Å; L278-L280 PolarHBondContact O-N 2.86Å; L278-L281 PolarHBondContact O-N 3.33Å; L278-L281 VanDerWaalsContact O-N 3.1Å; L278-L282 HydrophobicContact CD1-CD1 4.23Å; L278-L282 HydrophobicContact CD1-CG 4.17Å; L278-L282 HydrophobicContact CD2-CD1 4.44Å; L278-L282 HydrophobicContact CG-CD1 3.93Å; L278-L282 HydrophobicContact CG-CG 4.34Å; L278-L282 PolarHBondContact O-N 3.38Å; L278-P358 VanDerWaalsContact CD2-O 3.25Å; L278-P358 WeakPolarHBondContact CD2-O 3.35Å; L278-L359 HydrophobicContact CD2-CD2 4.13Å; L278-I366 HydrophobicContact CD1-CD1 4.37Å |
| 279 | P | 89.4 | Confident | 87.7 | Confident | 84 Ų | 84 | 36.5 Ų | 36.5 | 55% | 0.545 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59 | -30.1 | 175.2 | -25.7 | 36.4 | 0 | 0 | 0 | 114.4 | L277 R283 | L277-P279 VanDerWaalsContact C-N 3.3Å; L277-P279 WeakPolarHBondContact O-CD 3.4Å; P279-R283 VanDerWaalsContact O-CB 3.24Å; P279-R283 WeakPolarHBondContact O-CB 3.09Å; P279-R283 PolarHBondContact O-N 3.35Å |
| 280 | L | 90.2 | Very high | 88.8 | Confident | 16 Ų | 16 | 37.5 Ų | 37.5 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.2 | -46.5 | 173.8 | -170.5 | 75.7 | 0 | 0 | 0 | 110.6 | W234 E238 V259 L277 L278 R283 Y284 | W234-L280 HydrophobicContact CH2-CD2 4.35Å; W234-L280 HydrophobicContact CZ2-CD2 4.19Å; E238-L280 HydrophobicContact CG-CD1 3.66Å; V259-L280 HydrophobicContact CG1-CD2 4.25Å; V259-L280 HydrophobicContact CG1-CG 4.47Å; L277-L280 WeakPolarHBondContact O-CA 3.27Å; L277-L280 WeakPolarHBondContact O-CB 3.14Å; L277-L280 PolarHBondContact O-N 2.96Å; L278-L280 PolarHBondContact O-N 2.86Å; L280-R283 WeakPolarHBondContact O-CB 3.48Å; L280-R283 PolarHBondContact O-N 2.65Å; L280-Y284 HydrophobicContact CD1-CD2 4.37Å; L280-Y284 HydrophobicContact CD1-CE2 3.81Å; L280-Y284 HydrophobicContact CG-CD2 4.34Å; L280-Y284 HydrophobicContact CG-CE2 4.25Å; L280-Y284 VanDerWaalsContact O-CD2 3.22Å; L280-Y284 WeakPolarHBondContact O-CD2 3.25Å; L280-Y284 PolarHBondContact O-N 2.97Å |
| 281 | L | 90.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66 | -44.5 | -178.9 | -164.5 | 56.5 | 0 | 0 | 0 | 111.5 | V259 F263 L278 R283 Y284 S285 F288 L298 I366 | V259-L281 HydrophobicContact CG1-CD1 4.46Å; F263-L281 HydrophobicContact CD1-CD2 4.15Å; F263-L281 HydrophobicContact CD2-CB 4.43Å; F263-L281 HydrophobicContact CD2-CD1 3.9Å; F263-L281 HydrophobicContact CD2-CD2 4.1Å; F263-L281 HydrophobicContact CD2-CG 4.38Å; F263-L281 HydrophobicContact CE1-CB 4.24Å; F263-L281 HydrophobicContact CE1-CD2 4.16Å; F263-L281 HydrophobicContact CE2-CB 3.71Å; F263-L281 HydrophobicContact CE2-CD1 3.85Å; F263-L281 HydrophobicContact CE2-CD2 4.16Å; F263-L281 HydrophobicContact CE2-CG 4.13Å; F263-L281 HydrophobicContact CG-CD2 4.13Å; F263-L281 HydrophobicContact CZ-CB 3.6Å; F263-L281 HydrophobicContact CZ-CD2 4.19Å; F263-L281 HydrophobicContact CZ-CG 4.34Å; L278-L281 PolarHBondContact O-N 3.33Å; L278-L281 VanDerWaalsContact O-N 3.1Å; L281-R283 VanDerWaalsContact C-N 3.33Å; L281-R283 PolarHBondContact O-N 2.93Å; L281-Y284 PolarHBondContact O-N 3.46Å; L281-S285 PolarHBondContact O-N 3.36Å; L281-F288 HydrophobicContact CD1-CD2 4.48Å; L281-F288 HydrophobicContact CD1-CE2 3.8Å; L281-F288 HydrophobicContact CD1-CZ 4.22Å; L281-L298 HydrophobicContact CD1-CD1 3.9Å; L281-L298 HydrophobicContact CD1-CD2 4.41Å; L281-L298 HydrophobicContact CD2-CD1 3.92Å; L281-L298 HydrophobicContact CG-CD1 4.22Å; L281-I366 HydrophobicContact CB-CD1 4.39Å; L281-I366 HydrophobicContact CD2-CD1 3.7Å; L281-I366 HydrophobicContact CG-CD1 3.76Å |
| 282 | L | 90.7 | Very high | 89.8 | Confident | 67 Ų | 67 | 35.4 Ų | 35.4 | 35% | 0.351 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.5 | -39.8 | 175.2 | -70 | 170.3 | 0 | 0 | 0 | 111.8 | L278 Y284 S285 I366 | L278-L282 HydrophobicContact CD1-CD1 4.23Å; L278-L282 HydrophobicContact CD1-CG 4.17Å; L278-L282 HydrophobicContact CD2-CD1 4.44Å; L278-L282 HydrophobicContact CG-CD1 3.93Å; L278-L282 HydrophobicContact CG-CG 4.34Å; L278-L282 PolarHBondContact O-N 3.38Å; L282-Y284 VanDerWaalsContact C-N 3.31Å; L282-Y284 PolarHBondContact O-N 2.91Å; L282-S285 WeakPolarHBondContact O-CB 3.3Å; L282-S285 PolarHBondContact O-N 2.96Å; L282-S285 PolarHBondContact O-OG 3.5Å; L282-I366 HydrophobicContact CD2-CD1 3.98Å; L282-I366 HydrophobicContact CD2-CG1 3.84Å; L282-I366 HydrophobicContact CG-CD1 4.49Å |
| 283 | R | 90.9 | Very high | 90.2 | Very high | 132 Ų | 132 | 34.6 Ų | 34.6 | 50% | 0.498 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.9 | -34.1 | 176.5 | 163.5 | 168.7 | -80.6 | 172.1 | 0.1 | 113.7 | E238 L242 P279 L280 L281 | E238-R283 WeakPolarHBondContact OE1-CD 3.5Å; E238-R283 IonicContact OE1-CZ 2.65Å; E238-R283 IonicContact OE1-NE 3.25Å; E238-R283 IonicContact OE1-NH1 3Å; E238-R283 PolarHBondContact OE1-NH1 2.94Å; E238-R283 IonicContact OE2-NH1 3.27Å; E238-R283 PolarHBondContact OE2-NH1 3.41Å; L242-R283 HydrophobicContact CD1-CG 4.31Å; P279-R283 VanDerWaalsContact O-CB 3.24Å; P279-R283 WeakPolarHBondContact O-CB 3.09Å; P279-R283 PolarHBondContact O-N 3.35Å; L280-R283 WeakPolarHBondContact O-CB 3.48Å; L280-R283 PolarHBondContact O-N 2.65Å; L281-R283 VanDerWaalsContact C-N 3.33Å; L281-R283 PolarHBondContact O-N 2.93Å |
| 284 | Y | 92.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -98.8 | 2.6 | 178.6 | -66.8 | -71.3 | 0 | 0 | 0 | 114.1 | L242 F245 F255 L256 V259 L280 L281 L282 G286 E287 F288 | L242-Y284 WeakPolarHBondContact CA-OH 3.41Å; L242-Y284 HydrophobicContact CD1-CE1 3.83Å; L242-Y284 WeakPolarHBondContact CD1-OH 3.2Å; F245-Y284 HydrophobicContact CD1-CD1 4.37Å; F245-Y284 AromaticContact CD1-CE1 3.83Å; F245-Y284 HydrophobicContact CD1-CE1 3.83Å; F245-Y284 HydrophobicContact CE1-CD1 4.02Å; F245-Y284 AromaticContact CE1-CE1 3.95Å; F245-Y284 HydrophobicContact CE1-CE1 3.95Å; F245-Y284 HydrophobicContact CG-CE1 4.13Å; F245-Y284 HydrophobicContact CZ-CD1 4.22Å; F245-Y284 HydrophobicContact CZ-CE1 4.36Å; F255-Y284 HydrophobicContact CE1-CE1 4.03Å; F255-Y284 HydrophobicContact CE1-CE2 4.05Å; F255-Y284 AromaticContact CE1-CZ 3.69Å; L256-Y284 HydrophobicContact CD2-CD1 4.07Å; L256-Y284 HydrophobicContact CD2-CG 4.02Å; V259-Y284 HydrophobicContact CG2-CD2 4.45Å; L280-Y284 HydrophobicContact CD1-CD2 4.37Å; L280-Y284 HydrophobicContact CD1-CE2 3.81Å; L280-Y284 HydrophobicContact CG-CD2 4.34Å; L280-Y284 HydrophobicContact CG-CE2 4.25Å; L280-Y284 VanDerWaalsContact O-CD2 3.22Å; L280-Y284 WeakPolarHBondContact O-CD2 3.25Å; L280-Y284 PolarHBondContact O-N 2.97Å; L281-Y284 PolarHBondContact O-N 3.46Å; L282-Y284 VanDerWaalsContact C-N 3.31Å; L282-Y284 PolarHBondContact O-N 2.91Å; Y284-G286 PolarHBondContact O-N 3.45Å; Y284-E287 HydrophobicContact CD1-CG 4.44Å; Y284-E287 WeakPolarHBondContact O-CA 2.75Å; Y284-E287 VanDerWaalsContact O-CB 3.31Å; Y284-E287 WeakPolarHBondContact O-CB 3.23Å; Y284-E287 PolarHBondContact O-N 2.93Å; Y284-F288 VanDerWaalsContact O-CD2 3.3Å; Y284-F288 WeakPolarHBondContact O-CD2 3.44Å; Y284-F288 PolarHBondContact O-N 3.16Å |
| 285 | S | 90.4 | Very high | 90.8 | Very high | 29 Ų | 29 | 34.1 Ų | 34.1 | 20% | 0.203 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -53 | -45.1 | -176.8 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | L281 L282 E287 F288 V289 | L281-S285 PolarHBondContact O-N 3.36Å; L282-S285 WeakPolarHBondContact O-CB 3.3Å; L282-S285 PolarHBondContact O-N 2.96Å; L282-S285 PolarHBondContact O-OG 3.5Å; S285-E287 PolarHBondContact O-N 3.21Å; S285-F288 PolarHBondContact O-N 3.38Å; S285-V289 PolarHBondContact O-N 2.96Å |
| 286 | G | 89.7 | Confident | 91 | Very high | 41 Ų | 41 | 32.1 Ų | 32.1 | 42% | 0.423 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.4 | -10.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y284 V289 Q290 | Y284-G286 PolarHBondContact O-N 3.45Å; G286-V289 WeakPolarHBondContact O-CG2 3.44Å; G286-Q290 PolarHBondContact O-NE2 2.95Å; G286-Q290 VanDerWaalsContact O-NE2 3.11Å |
| 287 | E | 93.1 | Very high | 91.3 | Very high | 42 Ų | 42 | 30.9 Ų | 30.9 | 20% | 0.196 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -98.1 | -35.3 | 176.4 | -53.8 | -77.5 | -153.9 | 0 | 0 | 110.8 | F245 R252 L256 Y284 S285 V289 Q290 | F245-E287 HydrophobicContact CE1-CB 4.41Å; F245-E287 HydrophobicContact CE1-CG 3.83Å; F245-E287 WeakPolarHBondContact CE1-OE1 3.45Å; F245-E287 HydrophobicContact CZ-CB 4.16Å; F245-E287 HydrophobicContact CZ-CG 4.1Å; R252-E287 IonicContact CZ-OE1 2.7Å; R252-E287 IonicContact CZ-OE2 2.67Å; R252-E287 IonicContact NH1-OE1 2.64Å; R252-E287 IonicContact NH2-OE1 2.65Å; R252-E287 PolarHBondContact NH2-OE1 3.28Å; R252-E287 IonicContact NH2-OE2 2.86Å; R252-E287 PolarHBondContact NH2-OE2 3.28Å; L256-E287 HydrophobicContact CD1-CB 3.94Å; L256-E287 HydrophobicContact CD2-CB 4.25Å; Y284-E287 HydrophobicContact CD1-CG 4.44Å; Y284-E287 WeakPolarHBondContact O-CA 2.75Å; Y284-E287 VanDerWaalsContact O-CB 3.31Å; Y284-E287 WeakPolarHBondContact O-CB 3.23Å; Y284-E287 PolarHBondContact O-N 2.93Å; S285-E287 PolarHBondContact O-N 3.21Å; E287-V289 VanDerWaalsContact C-N 3.31Å; E287-V289 PolarHBondContact O-N 2.91Å; E287-Q290 WeakPolarHBondContact O-CB 3.39Å; E287-Q290 PolarHBondContact O-N 3.01Å; E287-Q290 PolarHBondContact OE2-NE2 3.49Å |
| 288 | F | 94.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.4 | -42.3 | 171.5 | -83.3 | -74.5 | 0 | 0 | 0 | 112.3 | L256 V259 L260 L281 Y284 S285 Q290 S291 L294 S295 L298 | L256-F288 HydrophobicContact CB-CE1 4.04Å; L256-F288 HydrophobicContact CB-CZ 4.19Å; L256-F288 HydrophobicContact CD2-CD2 4.26Å; L256-F288 HydrophobicContact CD2-CE1 4.5Å; L256-F288 HydrophobicContact CD2-CE2 3.92Å; L256-F288 HydrophobicContact CD2-CZ 4.04Å; L256-F288 WeakPolarHBondContact O-CE1 3.49Å; L256-F288 WeakPolarHBondContact O-CZ 3.41Å; V259-F288 HydrophobicContact CB-CZ 4.21Å; V259-F288 HydrophobicContact CG1-CE2 4.14Å; V259-F288 HydrophobicContact CG1-CZ 4.01Å; L260-F288 HydrophobicContact CB-CE1 3.97Å; L260-F288 HydrophobicContact CB-CZ 4.13Å; L260-F288 HydrophobicContact CD2-CE1 4.35Å; L281-F288 HydrophobicContact CD1-CD2 4.48Å; L281-F288 HydrophobicContact CD1-CE2 3.8Å; L281-F288 HydrophobicContact CD1-CZ 4.22Å; Y284-F288 VanDerWaalsContact O-CD2 3.3Å; Y284-F288 WeakPolarHBondContact O-CD2 3.44Å; Y284-F288 PolarHBondContact O-N 3.16Å; S285-F288 PolarHBondContact O-N 3.38Å; F288-Q290 PolarHBondContact O-N 3.16Å; F288-Q290 VanDerWaalsContact O-N 3.11Å; F288-S291 PolarHBondContact O-N 3.26Å; F288-L294 HydrophobicContact CD1-CB 3.85Å; F288-L294 HydrophobicContact CE1-CB 4.31Å; F288-S295 PolarHBondContact O-OG 2.87Å; F288-L298 HydrophobicContact CB-CD2 3.89Å; F288-L298 HydrophobicContact CD1-CD2 3.98Å; F288-L298 HydrophobicContact CD2-CD2 3.91Å; F288-L298 HydrophobicContact CE2-CD2 4.48Å; F288-L298 HydrophobicContact CG-CD2 3.65Å |
| 289 | V | 94 | Very high | 91.6 | Very high | 15 Ų | 15 | 30.3 Ų | 30.3 | 9% | 0.091 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -4.8 | 179.4 | -62 | 0 | 0 | 0 | 0 | 114.8 | S285 G286 E287 S291 S295 T369 I370 C373 C374 Q1638 | S285-V289 PolarHBondContact O-N 2.96Å; G286-V289 WeakPolarHBondContact O-CG2 3.44Å; E287-V289 VanDerWaalsContact C-N 3.31Å; E287-V289 PolarHBondContact O-N 2.91Å; V289-S291 VanDerWaalsContact C-N 3.28Å; V289-S295 WeakPolarHBondContact CA-OG 3.29Å; V289-T369 HydrophobicContact CG1-CG2 4.16Å; V289-I370 HydrophobicContact CG1-CG1 4.1Å; V289-C373 HydrophobicContact CB-CB 3.79Å; V289-C373 HydrophobicContact CG1-CB 4.02Å; V289-C373 HydrophobicContact CG2-CB 3.9Å; V289-C374 HydrophobicContact CB-CB 4.18Å; V289-C374 HydrophobicContact CG1-CB 4.38Å; V289-Q1638 PolarHBondContact O-NE2 3.5Å |
| 290 | Q | 92.1 | Very high | 91.7 | Very high | 85 Ų | 85 | 27.1 Ų | 27.1 | 40% | 0.397 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -6.8 | 168.9 | -67.5 | 163.2 | 42 | 0 | 0 | 112.8 | G286 E287 F288 L1642 | G286-Q290 PolarHBondContact O-NE2 2.95Å; G286-Q290 VanDerWaalsContact O-NE2 3.11Å; E287-Q290 WeakPolarHBondContact O-CB 3.39Å; E287-Q290 PolarHBondContact O-N 3.01Å; E287-Q290 PolarHBondContact OE2-NE2 3.49Å; F288-Q290 PolarHBondContact O-N 3.16Å; F288-Q290 VanDerWaalsContact O-N 3.11Å; Q290-L1642 HydrophobicContact CB-CD2 3.59Å; Q290-L1642 WeakPolarHBondContact O-CD2 3.28Å |
| 291 | S | 92.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.007 | 13% | 0.134 | C | C | . | . | trans | -136.8 | 116.5 | 175.2 | -169 | 0 | 0 | 0 | 0 | 111.5 | F288 V289 Y293 L294 S295 Q1638 L1640 | F288-S291 PolarHBondContact O-N 3.26Å; V289-S291 VanDerWaalsContact C-N 3.28Å; S291-Y293 VanDerWaalsContact C-N 3.29Å; S291-Y293 PolarHBondContact O-N 2.9Å; S291-L294 PolarHBondContact O-N 2.85Å; S291-S295 WeakPolarHBondContact O-CB 3.19Å; S291-S295 PolarHBondContact O-N 2.88Å; S291-S295 PolarHBondContact O-OG 2.93Å; S291-S295 VanDerWaalsContact O-OG 3.09Å; S291-Q1638 CarbonylContact C-O 3.6Å; S291-Q1638 WeakPolarHBondContact CA-O 3.49Å; S291-L1640 PolarHBondContact OG-O 3.46Å | ||
| 292 | A | 91.3 | Very high | 91.8 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 5% | 0.05 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.8 | -35.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S295 R296 C374 A377 Q1638 L1639 | A292-S295 PolarHBondContact O-N 3.01Å; A292-R296 WeakPolarHBondContact O-CB 3.4Å; A292-R296 PolarHBondContact O-N 2.82Å; A292-C374 VanDerWaalsContact CA-SG 3.57Å; A292-A377 HydrophobicContact CB-CB 4.36Å; A292-A377 WeakPolarHBondContact O-CB 3.48Å; A292-Q1638 WeakPolarHBondContact CB-O 3.46Å; A292-Q1638 PolarHBondContact N-O 3.29Å; A292-L1639 HydrophobicContact CB-CD2 3.99Å |
| 293 | Y | 89.2 | Confident | 91.8 | Very high | 51 Ų | 51 | 24 Ų | 24 | 20% | 0.2 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.6 | -49.4 | 174.2 | 171 | -104.5 | 0 | 0 | 0 | 112.1 | S291 R296 R297 L1595 | S291-Y293 VanDerWaalsContact C-N 3.29Å; S291-Y293 PolarHBondContact O-N 2.9Å; Y293-R296 PolarHBondContact O-N 3.43Å; Y293-R297 PolarHBondContact O-N 3.47Å; Y293-R297 PolarHBondContact OH-NH1 2.82Å; Y293-L1595 HydrophobicContact CD2-CD1 3.76Å; Y293-L1595 HydrophobicContact CE2-CD1 4.11Å; Y293-L1595 HydrophobicContact CG-CD1 4.43Å |
| 294 | L | 91.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -70 | -39.4 | 179.4 | -58.6 | 179.1 | 0 | 0 | 0 | 111.3 | L256 T257 F288 S291 R296 R297 L298 | L256-L294 HydrophobicContact CB-CD1 3.76Å; L256-L294 HydrophobicContact CD1-CD1 4.22Å; T257-L294 WeakPolarHBondContact OG1-CD2 3.48Å; F288-L294 HydrophobicContact CD1-CB 3.85Å; F288-L294 HydrophobicContact CE1-CB 4.31Å; S291-L294 PolarHBondContact O-N 2.85Å; L294-R296 VanDerWaalsContact C-N 3.34Å; L294-R296 PolarHBondContact O-N 3.32Å; L294-R297 PolarHBondContact O-N 3.07Å; L294-L298 VanDerWaalsContact O-CB 3.31Å; L294-L298 WeakPolarHBondContact O-CB 3.04Å; L294-L298 PolarHBondContact O-N 2.77Å |
| 295 | S | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.1 | -39.5 | 173.8 | -68.5 | 0 | 0 | 0 | 0 | 112.6 | F288 V289 S291 A292 L298 A299 | F288-S295 PolarHBondContact O-OG 2.87Å; V289-S295 WeakPolarHBondContact CA-OG 3.29Å; S291-S295 WeakPolarHBondContact O-CB 3.19Å; S291-S295 PolarHBondContact O-N 2.88Å; S291-S295 PolarHBondContact O-OG 2.93Å; S291-S295 VanDerWaalsContact O-OG 3.09Å; A292-S295 PolarHBondContact O-N 3.01Å; S295-L298 PolarHBondContact O-N 2.86Å; S295-A299 VanDerWaalsContact O-CB 3.32Å; S295-A299 WeakPolarHBondContact O-CB 3.24Å; S295-A299 PolarHBondContact O-N 2.78Å |
| 296 | R | 92 | Very high | 91.3 | Very high | 16 Ų | 16 | 20.8 Ų | 20.8 | 6% | 0.06 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.4 | -44.5 | 179.1 | -176.7 | 172.1 | -177.4 | 93.7 | -3 | 111.8 | A292 Y293 L294 A299 Y300 A377 V379 H381 G392 P394 | A292-R296 WeakPolarHBondContact O-CB 3.4Å; A292-R296 PolarHBondContact O-N 2.82Å; Y293-R296 PolarHBondContact O-N 3.43Å; L294-R296 VanDerWaalsContact C-N 3.34Å; L294-R296 PolarHBondContact O-N 3.32Å; R296-A299 PolarHBondContact O-N 3.44Å; R296-Y300 HydrophobicContact CG-CD2 4.13Å; R296-Y300 HydrophobicContact CG-CE2 3.89Å; R296-Y300 PolarHBondContact NH2-OH 2.89Å; R296-Y300 VanDerWaalsContact O-CD2 3.27Å; R296-Y300 WeakPolarHBondContact O-CD2 3.38Å; R296-Y300 PolarHBondContact O-N 3.43Å; R296-A377 HydrophobicContact CB-CB 4.13Å; R296-A377 WeakPolarHBondContact CB-O 3.23Å; R296-A377 VanDerWaalsContact CG-O 3.3Å; R296-A377 WeakPolarHBondContact CG-O 3.37Å; R296-A377 PolarHBondContact NH1-O 2.89Å; R296-V379 PolarHBondContact NH1-O 2.85Å; R296-H381 PolarHBondContact NH1-ND1 2.99Å; R296-G392 PolarHBondContact NH2-O 2.96Å; R296-P394 HydrophobicContact CG-CG 3.85Å |
| 297 | R | 90.8 | Very high | 91.2 | Very high | 47 Ų | 47 | 19.7 Ų | 19.7 | 18% | 0.177 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62 | -44.6 | 173 | -75.4 | 177.2 | 60.1 | -180 | -3.8 | 111.7 | L260 E264 Y293 L294 A299 Y300 F301 | L260-R297 HydrophobicContact CD2-CB 3.44Å; L260-R297 VanDerWaalsContact CD2-CB 3.44Å; E264-R297 VanDerWaalsContact CD-NH2 3.26Å; E264-R297 IonicContact OE1-CZ 3.26Å; E264-R297 IonicContact OE1-NE 3.42Å; E264-R297 PolarHBondContact OE1-NE 3.31Å; E264-R297 IonicContact OE1-NH2 2.96Å; E264-R297 PolarHBondContact OE1-NH2 3.35Å; E264-R297 IonicContact OE2-CZ 3.19Å; E264-R297 IonicContact OE2-NE 3.38Å; E264-R297 IonicContact OE2-NH2 2.69Å; E264-R297 PolarHBondContact OE2-NH2 2.82Å; Y293-R297 PolarHBondContact O-N 3.47Å; Y293-R297 PolarHBondContact OH-NH1 2.82Å; L294-R297 PolarHBondContact O-N 3.07Å; R297-A299 VanDerWaalsContact C-N 3.33Å; R297-A299 PolarHBondContact O-N 3.32Å; R297-Y300 PolarHBondContact O-N 3.23Å; R297-F301 PolarHBondContact O-N 2.83Å |
| 298 | L | 92.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.5 | -39.1 | 176.8 | 177.8 | 53.7 | 0 | 0 | 0 | 111.9 | L260 L281 F288 L294 S295 F301 C302 I366 I370 | L260-L298 HydrophobicContact CD1-CB 4.1Å; L260-L298 HydrophobicContact CD1-CD1 3.93Å; L260-L298 HydrophobicContact CD2-CB 4.24Å; L281-L298 HydrophobicContact CD1-CD1 3.9Å; L281-L298 HydrophobicContact CD1-CD2 4.41Å; L281-L298 HydrophobicContact CD2-CD1 3.92Å; L281-L298 HydrophobicContact CG-CD1 4.22Å; F288-L298 HydrophobicContact CB-CD2 3.89Å; F288-L298 HydrophobicContact CD1-CD2 3.98Å; F288-L298 HydrophobicContact CD2-CD2 3.91Å; F288-L298 HydrophobicContact CE2-CD2 4.48Å; F288-L298 HydrophobicContact CG-CD2 3.65Å; L294-L298 VanDerWaalsContact O-CB 3.31Å; L294-L298 WeakPolarHBondContact O-CB 3.04Å; L294-L298 PolarHBondContact O-N 2.77Å; S295-L298 PolarHBondContact O-N 2.86Å; L298-F301 HydrophobicContact CD1-CD1 4.48Å; L298-F301 PolarHBondContact O-N 2.64Å; L298-C302 PolarHBondContact O-N 2.86Å; L298-C302 PolarHBondContact O-SG 3.46Å; L298-C302 VanDerWaalsContact O-SG 3.33Å; L298-I366 HydrophobicContact CD1-CG2 4.03Å; L298-I366 HydrophobicContact CD2-CG2 3.73Å; L298-I366 HydrophobicContact CG-CG2 3.74Å; L298-I370 HydrophobicContact CB-CD1 4.25Å; L298-I370 HydrophobicContact CD2-CD1 4.1Å; L298-I370 HydrophobicContact CG-CD1 3.92Å |
| 299 | A | 92.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.1 | -48.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S295 R296 R297 F301 C302 T303 L367 I370 L378 P394 | S295-A299 VanDerWaalsContact O-CB 3.32Å; S295-A299 WeakPolarHBondContact O-CB 3.24Å; S295-A299 PolarHBondContact O-N 2.78Å; R296-A299 PolarHBondContact O-N 3.44Å; R297-A299 VanDerWaalsContact C-N 3.33Å; R297-A299 PolarHBondContact O-N 3.32Å; A299-F301 VanDerWaalsContact C-N 3.28Å; A299-F301 PolarHBondContact O-N 2.83Å; A299-C302 PolarHBondContact O-N 2.69Å; A299-C302 VanDerWaalsContact O-N 3.15Å; A299-T303 PolarHBondContact O-N 2.81Å; A299-T303 PolarHBondContact O-OG1 3.34Å; A299-L367 HydrophobicContact CB-CD2 3.98Å; A299-I370 HydrophobicContact CB-CD1 4.31Å; A299-L378 HydrophobicContact CB-CD2 3.46Å; A299-L378 VanDerWaalsContact CB-CD2 3.46Å; A299-P394 HydrophobicContact CB-CB 3.6Å; A299-P394 HydrophobicContact CB-CG 4.05Å |
| 300 | Y | 90 | Very high | 89 | Confident | 17 Ų | 17 | 23.3 Ų | 23.3 | 7% | 0.067 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.2 | -36.3 | 174.9 | -81.4 | -64.5 | 0 | 0 | 0 | 112.7 | R296 R297 R304 K390 T391 P394 H397 | R296-Y300 HydrophobicContact CG-CD2 4.13Å; R296-Y300 HydrophobicContact CG-CE2 3.89Å; R296-Y300 PolarHBondContact NH2-OH 2.89Å; R296-Y300 VanDerWaalsContact O-CD2 3.27Å; R296-Y300 WeakPolarHBondContact O-CD2 3.38Å; R296-Y300 PolarHBondContact O-N 3.43Å; R297-Y300 PolarHBondContact O-N 3.23Å; Y300-R304 VanDerWaalsContact O-CB 3.3Å; Y300-R304 WeakPolarHBondContact O-CB 3.29Å; Y300-R304 WeakPolarHBondContact O-CD 3.22Å; Y300-R304 WeakPolarHBondContact O-CG 3.46Å; Y300-R304 PolarHBondContact O-N 3.35Å; Y300-K390 PolarHBondContact OH-O 3.22Å; Y300-K390 VanDerWaalsContact OH-O 3.1Å; Y300-T391 PolarHBondContact OH-O 2.94Å; Y300-T391 VanDerWaalsContact OH-O 3.13Å; Y300-P394 HydrophobicContact CD1-CB 4.03Å; Y300-P394 HydrophobicContact CD1-CG 4.41Å; Y300-P394 HydrophobicContact CD2-CB 4.31Å; Y300-P394 HydrophobicContact CD2-CG 3.98Å; Y300-P394 HydrophobicContact CE1-CB 4.21Å; Y300-P394 HydrophobicContact CE1-CG 4.29Å; Y300-P394 HydrophobicContact CE2-CB 4.48Å; Y300-P394 HydrophobicContact CE2-CG 3.84Å; Y300-P394 HydrophobicContact CG-CB 4.08Å; Y300-P394 HydrophobicContact CG-CG 4.26Å; Y300-H397 AromaticContact CE1-CE1 3.62Å; Y300-H397 AromaticContact CE1-ND1 3.95Å |
| 301 | F | 90.6 | Very high | 87.9 | Confident | 18 Ų | 18 | 24.5 Ų | 24.5 | 8% | 0.079 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.9 | -49.3 | 173.4 | 173.2 | -96.4 | 0 | 0 | 0 | 111.3 | F263 L274 R297 L298 A299 R305 L363 | F263-F301 HydrophobicContact CB-CD1 4.42Å; F263-F301 HydrophobicContact CB-CD2 4.41Å; F263-F301 HydrophobicContact CB-CE1 3.94Å; F263-F301 HydrophobicContact CB-CE2 3.92Å; F263-F301 HydrophobicContact CB-CZ 3.68Å; F263-F301 HydrophobicContact CD1-CE1 4.39Å; F263-F301 HydrophobicContact CD1-CZ 4.29Å; F263-F301 HydrophobicContact CG-CE1 4.45Å; F263-F301 HydrophobicContact CG-CZ 4.42Å; F263-F301 VanDerWaalsContact O-CE2 3.23Å; F263-F301 WeakPolarHBondContact O-CE2 3.47Å; L274-F301 HydrophobicContact CD1-CE1 4.37Å; L274-F301 HydrophobicContact CD1-CZ 3.9Å; R297-F301 PolarHBondContact O-N 2.83Å; L298-F301 HydrophobicContact CD1-CD1 4.48Å; L298-F301 PolarHBondContact O-N 2.64Å; A299-F301 VanDerWaalsContact C-N 3.28Å; A299-F301 PolarHBondContact O-N 2.83Å; F301-R305 HydrophobicContact CD2-CG 4.28Å; F301-R305 HydrophobicContact CE1-CG 4.23Å; F301-R305 HydrophobicContact CE2-CG 3.8Å; F301-R305 HydrophobicContact CZ-CG 3.76Å; F301-R305 VanDerWaalsContact O-CB 3.31Å; F301-R305 WeakPolarHBondContact O-CB 3.45Å; F301-R305 WeakPolarHBondContact O-CG 3.27Å; F301-R305 PolarHBondContact O-N 2.82Å; F301-L363 HydrophobicContact CD1-CD2 4.47Å; F301-L363 HydrophobicContact CE1-CD2 4.01Å |
| 302 | C | 92.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.5 | -45.8 | -178.4 | -69.8 | 0 | 0 | 0 | 0 | 112.9 | L298 A299 R305 L306 L363 L367 | L298-C302 PolarHBondContact O-N 2.86Å; L298-C302 PolarHBondContact O-SG 3.46Å; L298-C302 VanDerWaalsContact O-SG 3.33Å; A299-C302 PolarHBondContact O-N 2.69Å; A299-C302 VanDerWaalsContact O-N 3.15Å; C302-R305 PolarHBondContact O-N 2.88Å; C302-L306 WeakPolarHBondContact O-CB 3.34Å; C302-L306 WeakPolarHBondContact O-CG 3.33Å; C302-L306 PolarHBondContact O-N 3.26Å; C302-L363 HydrophobicContact CB-CB 4.43Å; C302-L363 HydrophobicContact CB-CD2 4.38Å; C302-L367 HydrophobicContact CB-CD1 3.83Å; C302-L367 HydrophobicContact CB-CD2 3.8Å; C302-L367 HydrophobicContact CB-CG 3.59Å |
| 303 | T | 91.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.6 | -46.6 | -178.8 | 54.4 | 0 | 0 | 0 | 0 | 111.6 | A299 R305 L306 A307 L367 P394 L398 | A299-T303 PolarHBondContact O-N 2.81Å; A299-T303 PolarHBondContact O-OG1 3.34Å; T303-R305 PolarHBondContact O-N 3.49Å; T303-L306 PolarHBondContact O-N 2.8Å; T303-A307 PolarHBondContact O-N 3.41Å; T303-L367 HydrophobicContact CG2-CD1 3.79Å; T303-L367 HydrophobicContact CG2-CD2 3.79Å; T303-L367 HydrophobicContact CG2-CG 4.48Å; T303-P394 WeakPolarHBondContact CB-O 3.29Å; T303-P394 VanDerWaalsContact CG2-O 3.25Å; T303-P394 WeakPolarHBondContact CG2-O 3.24Å; T303-P394 PolarHBondContact OG1-O 3.35Å; T303-L398 HydrophobicContact CG2-CB 3.87Å; T303-L398 HydrophobicContact CG2-CD1 4.22Å; T303-L398 HydrophobicContact CG2-CD2 4.36Å; T303-L398 HydrophobicContact CG2-CG 4.38Å |
| 304 | R | 88 | Confident | 82.1 | Confident | 78 Ų | 78 | 34 Ų | 34 | 29% | 0.294 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.6 | -39.2 | 175.6 | -67.6 | 173.8 | -173.1 | 172.7 | 4.7 | 112.9 | Y300 L308 I389 H397 | Y300-R304 VanDerWaalsContact O-CB 3.3Å; Y300-R304 WeakPolarHBondContact O-CB 3.29Å; Y300-R304 WeakPolarHBondContact O-CD 3.22Å; Y300-R304 WeakPolarHBondContact O-CG 3.46Å; Y300-R304 PolarHBondContact O-N 3.35Å; R304-L308 WeakPolarHBondContact O-CB 3.37Å; R304-L308 VanDerWaalsContact O-CG 3.27Å; R304-L308 WeakPolarHBondContact O-CG 3.36Å; R304-L308 PolarHBondContact O-N 2.84Å; R304-I389 VanDerWaalsContact NH1-CG2 3.29Å; R304-I389 PolarHBondContact NH2-O 3.07Å; R304-H397 HydrophobicContact CG-CB 4.23Å; R304-H397 PolarHBondContact NE-CD2 2.91Å; R304-H397 PolarHBondContact NE-NE2 3.47Å; R304-H397 PolarHBondContact NH2-NE2 3.13Å |
| 305 | R | 87.9 | Confident | 79.4 | Confident | 18 Ų | 18 | 38.5 Ų | 38.5 | 7% | 0.068 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.4 | -34.1 | 176.5 | -82.5 | -65.9 | -167.2 | 150.3 | -2.3 | 113.1 | I266 R267 D271 F301 C302 T303 Q309 L363 | I266-R305 VanDerWaalsContact C-NH2 3.34Å; I266-R305 PolarHBondContact O-NH2 3.39Å; R267-R305 PolarHBondContact O-NH2 3.19Å; D271-R305 IonicContact OD1-NH1 2.63Å; D271-R305 PolarHBondContact OD1-NH1 3.04Å; F301-R305 HydrophobicContact CD2-CG 4.28Å; F301-R305 HydrophobicContact CE1-CG 4.23Å; F301-R305 HydrophobicContact CE2-CG 3.8Å; F301-R305 HydrophobicContact CZ-CG 3.76Å; F301-R305 VanDerWaalsContact O-CB 3.31Å; F301-R305 WeakPolarHBondContact O-CB 3.45Å; F301-R305 WeakPolarHBondContact O-CG 3.27Å; F301-R305 PolarHBondContact O-N 2.82Å; C302-R305 PolarHBondContact O-N 2.88Å; T303-R305 PolarHBondContact O-N 3.49Å; R305-Q309 WeakPolarHBondContact O-CG 3.42Å; R305-Q309 PolarHBondContact O-N 3.4Å; R305-L363 HydrophobicContact CB-CD1 3.87Å |
| 306 | L | 88.8 | Confident | 76.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.5 | -41.4 | 174.3 | -74.3 | 168.7 | 0 | 0 | 0 | 112 | C302 T303 Q309 L310 F347 V360 L363 L367 L398 L405 | C302-L306 WeakPolarHBondContact O-CB 3.34Å; C302-L306 WeakPolarHBondContact O-CG 3.33Å; C302-L306 PolarHBondContact O-N 3.26Å; T303-L306 PolarHBondContact O-N 2.8Å; L306-Q309 PolarHBondContact O-N 2.8Å; L306-L310 PolarHBondContact O-N 3.06Å; L306-F347 HydrophobicContact CB-CE1 4.38Å; L306-F347 HydrophobicContact CB-CZ 4.09Å; L306-F347 HydrophobicContact CD2-CE1 3.78Å; L306-F347 HydrophobicContact CD2-CZ 4Å; L306-V360 HydrophobicContact CD2-CG1 4.44Å; L306-L363 HydrophobicContact CD1-CB 4.08Å; L306-L363 HydrophobicContact CD2-CB 4.09Å; L306-L363 HydrophobicContact CD2-CD1 4.27Å; L306-L363 HydrophobicContact CG-CB 4.02Å; L306-L363 HydrophobicContact CG-CD1 4.22Å; L306-L367 HydrophobicContact CD1-CD1 3.61Å; L306-L398 HydrophobicContact CB-CD1 4.02Å; L306-L398 HydrophobicContact CD1-CD1 4.11Å; L306-L405 HydrophobicContact CD1-CD2 4.02Å |
| 307 | A | 85.9 | Confident | 73.4 | Confident | 18 Ų | 18 | 51.5 Ų | 51.5 | 15% | 0.149 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.2 | -50.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | T303 Q309 L310 D311 H397 | T303-A307 PolarHBondContact O-N 3.41Å; A307-Q309 PolarHBondContact O-N 2.89Å; A307-Q309 VanDerWaalsContact O-N 3.13Å; A307-L310 WeakPolarHBondContact O-CB 3.49Å; A307-L310 PolarHBondContact O-N 2.96Å; A307-D311 PolarHBondContact O-N 3.5Å; A307-H397 WeakPolarHBondContact CB-O 3.46Å |
| 308 | L | 83.7 | Confident | 70.5 | Confident | 94 Ų | 94 | 55 Ų | 55 | 49% | 0.492 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.8 | -27.1 | 176.8 | -74 | 170.1 | 0 | 0 | 0 | 113.8 | R304 G312 | R304-L308 WeakPolarHBondContact O-CB 3.37Å; R304-L308 VanDerWaalsContact O-CG 3.27Å; R304-L308 WeakPolarHBondContact O-CG 3.36Å; R304-L308 PolarHBondContact O-N 2.84Å; L308-G312 PolarHBondContact O-N 3.09Å |
| 309 | Q | 77.4 | Confident | 67.5 | Low | 15 Ų | 15 | 63.4 Ų | 63.4 | 7% | 0.07 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -76.5 | -25.5 | 175 | -79 | -178.9 | -14.8 | 0 | 0 | 112.9 | R305 L306 A307 L350 | R305-Q309 WeakPolarHBondContact O-CG 3.42Å; R305-Q309 PolarHBondContact O-N 3.4Å; L306-Q309 PolarHBondContact O-N 2.8Å; A307-Q309 PolarHBondContact O-N 2.89Å; A307-Q309 VanDerWaalsContact O-N 3.13Å; Q309-L350 HydrophobicContact CB-CD1 4.14Å; Q309-L350 WeakPolarHBondContact O-CD1 3.37Å |
| 310 | L | 75.2 | Confident | 64.5 | Low | 25 Ų | 25 | 69.7 Ų | 69.7 | 13% | 0.131 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -78.8 | -49.1 | 173.9 | -65.8 | 173.1 | 0 | 0 | 0 | 111.2 | L306 A307 G312 V313 P346 F347 L350 P399 | L306-L310 PolarHBondContact O-N 3.06Å; A307-L310 WeakPolarHBondContact O-CB 3.49Å; A307-L310 PolarHBondContact O-N 2.96Å; L310-G312 PolarHBondContact O-N 2.94Å; L310-V313 PolarHBondContact O-N 3.14Å; L310-P346 HydrophobicContact CD2-CB 3.95Å; L310-P346 WeakPolarHBondContact CD2-O 3.28Å; L310-F347 HydrophobicContact CD1-CE1 4.09Å; L310-F347 HydrophobicContact CD1-CE2 4.01Å; L310-F347 HydrophobicContact CD1-CZ 3.61Å; L310-F347 HydrophobicContact CD2-CD1 3.81Å; L310-F347 HydrophobicContact CD2-CD2 4.42Å; L310-F347 HydrophobicContact CD2-CE1 3.71Å; L310-F347 HydrophobicContact CD2-CE2 4.34Å; L310-F347 HydrophobicContact CD2-CG 4.16Å; L310-F347 HydrophobicContact CD2-CZ 3.99Å; L310-F347 HydrophobicContact CG-CD1 4.39Å; L310-F347 HydrophobicContact CG-CE1 3.78Å; L310-F347 HydrophobicContact CG-CZ 3.85Å; L310-L350 HydrophobicContact CD2-CD1 3.99Å; L310-P399 HydrophobicContact CD1-CG 3.47Å; L310-P399 VanDerWaalsContact CD1-CG 3.47Å |
| 311 | D | 69.4 | Low | 61.7 | Low | 109 Ų | 109 | 76.7 Ų | 76.7 | 58% | 0.583 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -57.8 | -35.7 | 178.6 | -62.8 | -31.4 | 0 | 0 | 0 | 112.2 | A307 V313 N314 | A307-D311 PolarHBondContact O-N 3.5Å; D311-V313 PolarHBondContact O-N 3.41Å; D311-N314 PolarHBondContact O-N 3.03Å |
| 312 | G | 56.1 | Low | 58.8 | Low | 50 Ų | 50 | 81.1 Ų | 81.1 | 52% | 0.515 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -62.7 | -21.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L308 L310 | L308-G312 PolarHBondContact O-N 3.09Å; L310-G312 PolarHBondContact O-N 2.94Å |
| 313 | V | 50.4 | Low | 55.8 | Low | 71 Ų | 71 | 85.8 Ų | 85.8 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -74.3 | -31.6 | -179.1 | -175.9 | 0 | 0 | 0 | 0 | 111.8 | L310 D311 S315 L350 | L310-V313 PolarHBondContact O-N 3.14Å; D311-V313 PolarHBondContact O-N 3.41Å; V313-S315 VanDerWaalsContact C-N 3.31Å; V313-S315 PolarHBondContact O-N 2.96Å; V313-L350 HydrophobicContact CG2-CD2 4.3Å; V313-L350 HydrophobicContact CG2-CG 4.41Å |
| 314 | N | 43.3 | Very low | 52.9 | Low | 137 Ų | 137 | 95.3 Ų | 95.3 | 73% | 0.733 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -81.5 | -1.8 | -173.8 | -77.4 | 1.8 | 0 | 0 | 0 | 114.8 | D311 H316 | D311-N314 PolarHBondContact O-N 3.03Å; N314-H316 PolarHBondContact O-N 3.42Å; N314-H316 VanDerWaalsContact O-N 3.09Å |
| 315 | S | 35.2 | Very low | 50 | Low | 94 Ų | 94 | 97 Ų | 97 | 66% | 0.657 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 11 | -172.4 | -66.8 | 0 | 0 | 0 | 0 | 115.7 | V313 | V313-S315 VanDerWaalsContact C-N 3.31Å; V313-S315 PolarHBondContact O-N 2.96Å |
| 316 | H | 32.7 | Very low | 47 | Very low | 189 Ų | 189 | 102.9 Ų | 102.9 | 88% | 0.875 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.4 | 43.1 | -177.5 | -74.7 | -16.5 | 0 | 0 | 0 | 114 | N314 | N314-H316 PolarHBondContact O-N 3.42Å; N314-H316 VanDerWaalsContact O-N 3.09Å |
| 317 | S | 27.7 | Very low | 44.1 | Very low | 100 Ų | 100 | 108.6 Ų | 108.6 | 70% | 0.699 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -149.5 | 147.2 | 161.5 | -167.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 318 | S | 28.6 | Very low | 41.3 | Very low | 122 Ų | 122 | 113.2 Ų | 113.2 | 85% | 0.853 | 68% | 0.682 | S | S | * | * | trans | 62.5 | 150.6 | 173.5 | 70.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 319 | H | 30.6 | Very low | 38.6 | Very low | 177 Ų | 177 | 116.2 Ų | 116.2 | 82% | 0.819 | 70% | 0.698 | S | S | * | * | trans | -136.9 | 137.1 | -175.4 | -122 | -82.7 | 0 | 0 | 0 | 107.2 | ||||
| 320 | V | 29.3 | Very low | 36.4 | Very low | 131 Ų | 131 | 121.6 Ų | 121.6 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | trans | 70.5 | 133.2 | 160 | 177.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 321 | I | 32 | Very low | 34.3 | Very low | 165 Ų | 165 | 126.3 Ų | 126.3 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | cis | -124.3 | 163.9 | 29.5 | -62.5 | 172.3 | 0 | 0 | 0 | 112.3 | ||||
| 322 | S | 30.3 | Very low | 32.3 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -89.7 | 142.3 | 177.4 | 163.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 323 | A | 28.3 | Very low | 31.2 | Very low | 99 Ų | 99 | 131 Ų | 131 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -142.1 | 154.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 324 | Q | 29.4 | Very low | 30.4 | Very low | 199 Ų | 199 | 131 Ų | 131 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | -73.4 | 174 | -160.2 | -68.6 | 163.4 | -23.9 | 0 | 0 | 117 | ||||
| 325 | S | 28.1 | Very low | 30 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -94.1 | 127.1 | -177.8 | 55.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 326 | T | 25.3 | Very low | 29.8 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -140.2 | 159 | 158.2 | 40.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 327 | S | 28.3 | Very low | 29.8 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -71.1 | 141.7 | -168.6 | 49.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 328 | S | 26.7 | Very low | 30.4 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -154.8 | 160.1 | 151.3 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 329 | L | 27.1 | Very low | 30.5 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 154.1 | 175.4 | -77.5 | 79.6 | 0 | 0 | 0 | 110.6 | T331 | L329-T331 PolarHBondContact O-N 2.81Š|
| 330 | P | 31.3 | Very low | 30.5 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 122.5 | 173.3 | 30 | -33.4 | 0 | 0 | 0 | 111.2 | ||
| 331 | T | 29.5 | Very low | 30.6 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -81 | 143.7 | 174.2 | 48.6 | 0 | 0 | 0 | 0 | 112.1 | L329 | L329-T331 PolarHBondContact O-N 2.81Š|
| 332 | T | 28.7 | Very low | 30.8 | Very low | 137 Ų | 137 | 127 Ų | 127 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 136.1 | 174.5 | 29.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 333 | P | 32.4 | Very low | 31.4 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -95.3 | 110 | 174 | 33.4 | -30.4 | 0 | 0 | 0 | 112.4 | ||||
| 334 | A | 34.7 | Very low | 32.6 | Very low | 69 Ų | 69 | 127.4 Ų | 127.4 | 57% | 0.57 | 79% | 0.787 | S | S | * | * | trans | -85.6 | 138.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 335 | P | 34.5 | Very low | 34.2 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 66% | 0.662 | 76% | 0.762 | S | S | * | * | trans | -107.4 | 113.1 | -179.2 | 35.4 | -28.7 | 0 | 0 | 0 | 113.6 | ||||
| 336 | Q | 29.9 | Very low | 36.2 | Very low | 156 Ų | 156 | 119 Ų | 119 | 73% | 0.729 | 75% | 0.745 | S | S | * | * | trans | -73 | 143.9 | 162.3 | -66.8 | -167.8 | 6.5 | 0 | 0 | 111.8 | ||||
| 337 | P | 33.9 | Very low | 38.7 | Very low | 114 Ų | 114 | 112.3 Ų | 112.3 | 74% | 0.74 | 70% | 0.704 | S | S | * | * | trans | -129.7 | 161.6 | 171 | 42 | -30.2 | 0 | 0 | 0 | 114.1 | ||||
| 338 | P | 40.6 | Very low | 41 | Very low | 120 Ų | 120 | 108.6 Ų | 108.6 | 78% | 0.779 | 68% | 0.678 | S | S | * | * | -141.1 | 152.8 | -52.9 | 36.9 | -20.3 | 0 | 0 | 0 | 113.6 | |||||
| 339 | T | 29.7 | Very low | 43.4 | Very low | 137 Ų | 137 | 108.8 Ų | 108.8 | 84% | 0.84 | 67% | 0.67 | S | S | * | * | trans | -113.7 | 107.6 | 165.8 | 43.9 | 0 | 0 | 0 | 0 | 112.8 | N341 | T339-N341 PolarHBondContact O-N 3.49Å; T339-N341 VanDerWaalsContact O-N 3.08Å | ||
| 340 | S | 31.3 | Very low | 45.8 | Very low | 113 Ų | 113 | 102.1 Ų | 102.1 | 79% | 0.79 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 16.1 | 74.5 | 156.2 | 60.4 | 0 | 0 | 0 | 0 | 119.8 | ||
| 341 | N | 31.9 | Very low | 48.2 | Very low | 155 Ų | 155 | 97.4 Ų | 97.4 | 83% | 0.829 | 60% | 0.603 | S | S | * | * | trans | -152.5 | 134.3 | 134.5 | -100.3 | -40.1 | 0 | 0 | 0 | 108.8 | T339 P343 | T339-N341 PolarHBondContact O-N 3.49Å; T339-N341 VanDerWaalsContact O-N 3.08Å; N341-P343 WeakPolarHBondContact O-CD 3.24Å | ||
| 342 | T | 35.6 | Very low | 50.7 | Low | 136 Ų | 136 | 98.8 Ų | 98.8 | 83% | 0.834 | 60% | 0.602 | S | S | * | * | trans | -74.7 | 112.9 | 178 | 48 | 0 | 0 | 0 | 0 | 109.2 | S344 | T342-S344 PolarHBondContact O-N 3.36Š| ||
| 343 | P | 41.5 | Very low | 53.2 | Low | 115 Ų | 115 | 93.9 Ų | 93.9 | 75% | 0.747 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 136.1 | 172 | 27.9 | -34.1 | 0 | 0 | 0 | 108.5 | N341 T345 | N341-P343 WeakPolarHBondContact O-CD 3.24Å; P343-T345 PolarHBondContact O-N 3.38Å |
| 344 | S | 53.5 | Low | 55.5 | Low | 102 Ų | 102 | 93.2 Ų | 93.2 | 71% | 0.713 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 124.3 | 167.8 | 37 | 0 | 0 | 0 | 0 | 108.1 | T342 | T342-S344 PolarHBondContact O-N 3.36Š|
| 345 | T | 63.7 | Low | 57.6 | Low | 68 Ų | 68 | 94.9 Ų | 94.9 | 42% | 0.417 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 131.8 | 177.7 | 47.6 | 0 | 0 | 0 | 0 | 108.6 | P343 F347 S348 | P343-T345 PolarHBondContact O-N 3.38Å; T345-F347 PolarHBondContact O-N 2.97Å; T345-S348 WeakPolarHBondContact O-CB 3.48Å; T345-S348 PolarHBondContact O-N 2.69Å; T345-S348 PolarHBondContact O-OG 2.96Å; T345-S348 PolarHBondContact OG1-OG 2.94Å |
| 346 | P | 69.7 | Low | 60.1 | Low | 68 Ų | 68 | 92 Ų | 92 | 44% | 0.442 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -13.2 | -173.2 | 24.1 | -34.1 | 0 | 0 | 0 | 113.1 | L310 I400 | L310-P346 HydrophobicContact CD2-CB 3.95Å; L310-P346 WeakPolarHBondContact CD2-O 3.28Å; P346-I400 HydrophobicContact CG-CD1 4.44Å; P346-I400 HydrophobicContact CG-CG2 3.72Å |
| 347 | F | 78.7 | Confident | 62.9 | Low | 1 Ų | 1 | 89.3 Ų | 89.3 | 0% | 0.004 | 53% | 0.526 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 0.8 | 171.4 | -66.6 | -78.4 | 0 | 0 | 0 | 115.2 | L306 L310 T345 D349 L350 L351 V360 I400 L405 P406 | L306-F347 HydrophobicContact CB-CE1 4.38Å; L306-F347 HydrophobicContact CB-CZ 4.09Å; L306-F347 HydrophobicContact CD2-CE1 3.78Å; L306-F347 HydrophobicContact CD2-CZ 4Å; L310-F347 HydrophobicContact CD1-CE1 4.09Å; L310-F347 HydrophobicContact CD1-CE2 4.01Å; L310-F347 HydrophobicContact CD1-CZ 3.61Å; L310-F347 HydrophobicContact CD2-CD1 3.81Å; L310-F347 HydrophobicContact CD2-CD2 4.42Å; L310-F347 HydrophobicContact CD2-CE1 3.71Å; L310-F347 HydrophobicContact CD2-CE2 4.34Å; L310-F347 HydrophobicContact CD2-CG 4.16Å; L310-F347 HydrophobicContact CD2-CZ 3.99Å; L310-F347 HydrophobicContact CG-CD1 4.39Å; L310-F347 HydrophobicContact CG-CE1 3.78Å; L310-F347 HydrophobicContact CG-CZ 3.85Å; T345-F347 PolarHBondContact O-N 2.97Å; F347-D349 PolarHBondContact O-N 3.43Å; F347-L350 HydrophobicContact CD1-CD1 3.74Å; F347-L350 HydrophobicContact CE1-CD1 4.27Å; F347-L350 CarbonylContact O-C 3.35Å; F347-L350 WeakPolarHBondContact O-CB 3.25Å; F347-L350 PolarHBondContact O-N 2.93Å; F347-L350 VanDerWaalsContact O-N 3.11Å; F347-L351 HydrophobicContact CB-CD1 4.06Å; F347-L351 HydrophobicContact CB-CG 4.12Å; F347-L351 WeakPolarHBondContact O-CB 3.18Å; F347-L351 VanDerWaalsContact O-CG 3.25Å; F347-L351 WeakPolarHBondContact O-CG 2.89Å; F347-L351 PolarHBondContact O-N 2.79Å; F347-V360 HydrophobicContact CB-CG1 4.12Å; F347-V360 HydrophobicContact CD1-CB 4.46Å; F347-V360 HydrophobicContact CD1-CG1 3.61Å; F347-V360 HydrophobicContact CD1-CG2 3.93Å; F347-V360 HydrophobicContact CE1-CG1 4.23Å; F347-V360 HydrophobicContact CE1-CG2 4.43Å; F347-V360 HydrophobicContact CG-CG1 3.89Å; F347-I400 HydrophobicContact CD2-CD1 4.07Å; F347-I400 HydrophobicContact CE2-CD1 3.74Å; F347-I400 HydrophobicContact CE2-CG1 4.26Å; F347-L405 HydrophobicContact CE2-CD2 3.96Å; F347-L405 HydrophobicContact CZ-CD2 4.39Å; F347-P406 HydrophobicContact CB-CG 4Å; F347-P406 HydrophobicContact CD2-CG 4.17Å; F347-P406 HydrophobicContact CG-CG 4.21Å |
| 348 | S | 77 | Confident | 65.4 | Low | 42 Ų | 42 | 86.5 Ų | 86.5 | 29% | 0.294 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -52 | -49.5 | -171.8 | -73.8 | 0 | 0 | 0 | 0 | 113.5 | T345 L350 L351 M352 | T345-S348 WeakPolarHBondContact O-CB 3.48Å; T345-S348 PolarHBondContact O-N 2.69Å; T345-S348 PolarHBondContact O-OG 2.96Å; T345-S348 PolarHBondContact OG1-OG 2.94Å; S348-L350 PolarHBondContact O-N 3.28Å; S348-L351 PolarHBondContact O-N 3.47Å; S348-M352 WeakPolarHBondContact O-CG 3.24Å; S348-M352 PolarHBondContact O-N 2.87Å; S348-M352 VanDerWaalsContact O-N 3.08Å |
| 349 | D | 75.8 | Confident | 67.8 | Low | 120 Ų | 120 | 80.8 Ų | 80.8 | 64% | 0.642 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -69.1 | -36.9 | -179.1 | -56.9 | -46.2 | 0 | 0 | 0 | 112 | F347 L351 M352 C353 | F347-D349 PolarHBondContact O-N 3.43Å; D349-L351 VanDerWaalsContact C-N 3.31Å; D349-L351 PolarHBondContact O-N 3.25Å; D349-M352 PolarHBondContact O-N 2.85Å; D349-C353 PolarHBondContact O-N 3.02Å |
| 350 | L | 78.8 | Confident | 70.6 | Confident | 15 Ų | 15 | 74.3 Ų | 74.3 | 8% | 0.079 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -67.3 | -30.7 | 175 | -63.5 | 165.6 | 0 | 0 | 0 | 112.5 | Q309 L310 V313 F347 S348 C353 H356 R357 V360 | Q309-L350 HydrophobicContact CB-CD1 4.14Å; Q309-L350 WeakPolarHBondContact O-CD1 3.37Å; L310-L350 HydrophobicContact CD2-CD1 3.99Å; V313-L350 HydrophobicContact CG2-CD2 4.3Å; V313-L350 HydrophobicContact CG2-CG 4.41Å; F347-L350 HydrophobicContact CD1-CD1 3.74Å; F347-L350 HydrophobicContact CE1-CD1 4.27Å; F347-L350 CarbonylContact O-C 3.35Å; F347-L350 WeakPolarHBondContact O-CB 3.25Å; F347-L350 PolarHBondContact O-N 2.93Å; F347-L350 VanDerWaalsContact O-N 3.11Å; S348-L350 PolarHBondContact O-N 3.28Å; L350-C353 PolarHBondContact O-N 3.35Å; L350-H356 HydrophobicContact CB-CB 4.26Å; L350-H356 HydrophobicContact CD2-CB 3.97Å; L350-H356 CarbonylContact O-C 3.58Å; L350-R357 PolarHBondContact O-N 3.22Å; L350-R357 VanDerWaalsContact O-N 3.09Å; L350-V360 HydrophobicContact CB-CG2 4.03Å |
| 351 | L | 82 | Confident | 73.4 | Confident | 29 Ų | 29 | 70.5 Ų | 70.5 | 15% | 0.152 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -76.1 | -26.3 | 174.2 | -70.4 | 169.3 | 0 | 0 | 0 | 112.4 | F347 S348 D349 R357 V360 F361 P406 | F347-L351 HydrophobicContact CB-CD1 4.06Å; F347-L351 HydrophobicContact CB-CG 4.12Å; F347-L351 WeakPolarHBondContact O-CB 3.18Å; F347-L351 VanDerWaalsContact O-CG 3.25Å; F347-L351 WeakPolarHBondContact O-CG 2.89Å; F347-L351 PolarHBondContact O-N 2.79Å; S348-L351 PolarHBondContact O-N 3.47Å; D349-L351 VanDerWaalsContact C-N 3.31Å; D349-L351 PolarHBondContact O-N 3.25Å; L351-R357 WeakPolarHBondContact O-CB 3.42Å; L351-R357 VanDerWaalsContact O-CD 3.27Å; L351-R357 WeakPolarHBondContact O-CD 3.41Å; L351-R357 WeakPolarHBondContact O-CG 3.16Å; L351-V360 HydrophobicContact CD2-CB 4.37Å; L351-V360 HydrophobicContact CD2-CG1 3.97Å; L351-F361 HydrophobicContact CD2-CD2 4.11Å; L351-F361 HydrophobicContact CD2-CE1 4.09Å; L351-F361 HydrophobicContact CD2-CE2 3.61Å; L351-F361 HydrophobicContact CD2-CZ 3.61Å; L351-P406 HydrophobicContact CD1-CB 4.07Å; L351-P406 HydrophobicContact CD1-CG 3.84Å; L351-P406 HydrophobicContact CD2-CB 3.94Å; L351-P406 HydrophobicContact CD2-CG 4.17Å; L351-P406 HydrophobicContact CG-CG 4.4Å |
| 352 | M | 81.9 | Confident | 76.2 | Confident | 154 Ų | 154 | 63.3 Ų | 63.3 | 76% | 0.759 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -77.6 | -28.2 | 170.2 | -66.7 | -58.8 | -70.5 | 0 | 0 | 112.2 | S348 D349 P354 | S348-M352 WeakPolarHBondContact O-CG 3.24Å; S348-M352 PolarHBondContact O-N 2.87Å; S348-M352 VanDerWaalsContact O-N 3.08Å; D349-M352 PolarHBondContact O-N 2.85Å; M352-P354 WeakPolarHBondContact O-CD 3.26Å |
| 353 | C | 81.3 | Confident | 78.9 | Confident | 34 Ų | 34 | 56.9 Ų | 56.9 | 23% | 0.23 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -70.3 | 120.1 | 177.3 | -178.6 | 0 | 0 | 0 | 0 | 113 | D349 L350 Q355 H356 R357 | D349-C353 PolarHBondContact O-N 3.02Å; L350-C353 PolarHBondContact O-N 3.35Å; C353-Q355 PolarHBondContact O-N 2.65Å; C353-Q355 VanDerWaalsContact O-N 3.14Å; C353-Q355 PolarHBondContact SG-N 3.37Å; C353-H356 HydrophobicContact CB-CB 4.19Å; C353-H356 PolarHBondContact O-N 3.47Å; C353-H356 PolarHBondContact SG-ND1 3.09Å; C353-R357 WeakPolarHBondContact O-CB 3.44Å; C353-R357 PolarHBondContact O-N 2.81Å |
| 354 | P | 80.3 | Confident | 81.3 | Confident | 107 Ų | 107 | 51.4 Ų | 51.4 | 70% | 0.695 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -13.2 | 177.9 | -22 | 34.9 | 0 | 0 | 0 | 115.2 | M352 | M352-P354 WeakPolarHBondContact O-CD 3.26Š|
| 355 | Q | 78.9 | Confident | 83.1 | Confident | 104 Ų | 104 | 48.1 Ų | 48.1 | 49% | 0.486 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -45 | 174.1 | -60.4 | -176.1 | -86.3 | 0 | 0 | 111.2 | E272 C353 | E272-Q355 WeakPolarHBondContact OE1-CG 3.46Å; E272-Q355 PolarHBondContact OE1-NE2 3.11Å; C353-Q355 PolarHBondContact O-N 2.65Å; C353-Q355 VanDerWaalsContact O-N 3.14Å; C353-Q355 PolarHBondContact SG-N 3.37Å |
| 356 | H | 85.6 | Confident | 84.5 | Confident | 42 Ų | 42 | 45 Ų | 45 | 19% | 0.194 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -30.7 | -175.4 | -63.5 | 88.3 | 0 | 0 | 0 | 114.4 | D271 L350 C353 P358 L359 V360 | D271-H356 IonicContact OD2-CD2 3.75Å; D271-H356 IonicContact OD2-NE2 3.88Å; D271-H356 PolarHBondContact OD2-NE2 2.83Å; L350-H356 HydrophobicContact CB-CB 4.26Å; L350-H356 HydrophobicContact CD2-CB 3.97Å; L350-H356 CarbonylContact O-C 3.58Å; C353-H356 HydrophobicContact CB-CB 4.19Å; C353-H356 PolarHBondContact O-N 3.47Å; C353-H356 PolarHBondContact SG-ND1 3.09Å; H356-P358 VanDerWaalsContact C-CD 3.49Å; H356-L359 WeakPolarHBondContact O-CA 3.27Å; H356-L359 WeakPolarHBondContact O-CB 3.3Å; H356-L359 PolarHBondContact O-N 3Å; H356-V360 PolarHBondContact O-N 3.3Å |
| 357 | R | 88.7 | Confident | 85.7 | Confident | 99 Ų | 99 | 41.9 Ų | 41.9 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -47.5 | -47 | 179.4 | -178.8 | -174.8 | 177.4 | 142.2 | 2.2 | 113.6 | L350 L351 C353 L359 F361 E409 | L350-R357 PolarHBondContact O-N 3.22Å; L350-R357 VanDerWaalsContact O-N 3.09Å; L351-R357 WeakPolarHBondContact O-CB 3.42Å; L351-R357 VanDerWaalsContact O-CD 3.27Å; L351-R357 WeakPolarHBondContact O-CD 3.41Å; L351-R357 WeakPolarHBondContact O-CG 3.16Å; C353-R357 WeakPolarHBondContact O-CB 3.44Å; C353-R357 PolarHBondContact O-N 2.81Å; R357-L359 PolarHBondContact O-N 2.77Å; R357-F361 HydrophobicContact CG-CD2 3.75Å; R357-F361 HydrophobicContact CG-CE2 3.63Å; R357-F361 VanDerWaalsContact O-CD2 3.26Å; R357-F361 WeakPolarHBondContact O-CD2 3.39Å; R357-F361 PolarHBondContact O-N 3.11Å; R357-F361 VanDerWaalsContact O-N 3.17Å; R357-E409 IonicContact NH2-OE2 2.72Å; R357-E409 PolarHBondContact NH2-OE2 2.71Å |
| 358 | P | 87.6 | Confident | 86.3 | Confident | 56 Ų | 56 | 42.3 Ų | 42.3 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.4 | -35.4 | 177.7 | -19.6 | 33.8 | 0 | 0 | 0 | 113.3 | L278 H356 G362 | L278-P358 VanDerWaalsContact CD2-O 3.25Å; L278-P358 WeakPolarHBondContact CD2-O 3.35Å; H356-P358 VanDerWaalsContact C-CD 3.49Å; P358-G362 PolarHBondContact O-N 2.96Å |
| 359 | L | 89.3 | Confident | 87.1 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.7 | -50.9 | 178.5 | -61.1 | -179.5 | 0 | 0 | 0 | 110.9 | D271 L274 K275 L278 H356 R357 F361 G362 L363 | D271-L359 HydrophobicContact CB-CD1 4.17Å; L274-L359 HydrophobicContact CB-CD2 4.4Å; L274-L359 HydrophobicContact CD2-CD1 4.28Å; L274-L359 HydrophobicContact CD2-CD2 4.19Å; L274-L359 HydrophobicContact CG-CD2 3.83Å; K275-L359 HydrophobicContact CB-CD2 3.83Å; K275-L359 HydrophobicContact CB-CG 4.42Å; L278-L359 HydrophobicContact CD2-CD2 4.13Å; H356-L359 WeakPolarHBondContact O-CA 3.27Å; H356-L359 WeakPolarHBondContact O-CB 3.3Å; H356-L359 PolarHBondContact O-N 3Å; R357-L359 PolarHBondContact O-N 2.77Å; L359-F361 PolarHBondContact O-N 2.68Å; L359-G362 PolarHBondContact O-N 2.78Å; L359-L363 WeakPolarHBondContact O-CB 3.35Å; L359-L363 WeakPolarHBondContact O-CG 3.41Å; L359-L363 PolarHBondContact O-N 2.84Å |
| 360 | V | 89.9 | Confident | 88 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.5 | -49.8 | 179.6 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | L306 F347 L350 L351 H356 S364 P406 | L306-V360 HydrophobicContact CD2-CG1 4.44Å; F347-V360 HydrophobicContact CB-CG1 4.12Å; F347-V360 HydrophobicContact CD1-CB 4.46Å; F347-V360 HydrophobicContact CD1-CG1 3.61Å; F347-V360 HydrophobicContact CD1-CG2 3.93Å; F347-V360 HydrophobicContact CE1-CG1 4.23Å; F347-V360 HydrophobicContact CE1-CG2 4.43Å; F347-V360 HydrophobicContact CG-CG1 3.89Å; L350-V360 HydrophobicContact CB-CG2 4.03Å; L351-V360 HydrophobicContact CD2-CB 4.37Å; L351-V360 HydrophobicContact CD2-CG1 3.97Å; H356-V360 PolarHBondContact O-N 3.3Å; V360-S364 WeakPolarHBondContact O-CB 3.5Å; V360-S364 PolarHBondContact O-N 3.37Å; V360-S364 PolarHBondContact O-OG 2.87Å; V360-P406 HydrophobicContact CG1-CB 4.36Å; V360-P406 HydrophobicContact CG1-CG 3.84Å |
| 361 | F | 90.2 | Very high | 88.8 | Confident | 33 Ų | 33 | 36.1 Ų | 36.1 | 15% | 0.145 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.9 | -42.6 | 177 | -79.4 | -56.5 | 0 | 0 | 0 | 112.7 | L351 R357 L359 S364 C365 P406 M407 P408 | L351-F361 HydrophobicContact CD2-CD2 4.11Å; L351-F361 HydrophobicContact CD2-CE1 4.09Å; L351-F361 HydrophobicContact CD2-CE2 3.61Å; L351-F361 HydrophobicContact CD2-CZ 3.61Å; R357-F361 HydrophobicContact CG-CD2 3.75Å; R357-F361 HydrophobicContact CG-CE2 3.63Å; R357-F361 VanDerWaalsContact O-CD2 3.26Å; R357-F361 WeakPolarHBondContact O-CD2 3.39Å; R357-F361 PolarHBondContact O-N 3.11Å; R357-F361 VanDerWaalsContact O-N 3.17Å; L359-F361 PolarHBondContact O-N 2.68Å; F361-S364 PolarHBondContact O-N 3.45Å; F361-C365 WeakPolarHBondContact O-CB 3.38Å; F361-C365 PolarHBondContact O-N 3.35Å; F361-C365 PolarHBondContact O-SG 3.02Å; F361-P406 HydrophobicContact CD1-CB 3.91Å; F361-P406 HydrophobicContact CE1-CB 3.59Å; F361-P406 HydrophobicContact CZ-CB 4.4Å; F361-M407 VanDerWaalsContact CE1-O 3.26Å; F361-M407 WeakPolarHBondContact CE1-O 3.47Å; F361-P408 HydrophobicContact CD1-CG 4.5Å |
| 362 | G | 90.5 | Very high | 89.3 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 5% | 0.052 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.1 | -50 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | P358 L359 S364 C365 I366 | P358-G362 PolarHBondContact O-N 2.96Å; L359-G362 PolarHBondContact O-N 2.78Å; G362-S364 VanDerWaalsContact C-N 3.34Å; G362-S364 PolarHBondContact O-N 3.39Å; G362-C365 PolarHBondContact O-N 3.09Å; G362-I366 WeakPolarHBondContact O-CD1 3.43Å; G362-I366 VanDerWaalsContact O-CG1 3.27Å; G362-I366 WeakPolarHBondContact O-CG1 3.25Å; G362-I366 PolarHBondContact O-N 3.36Å |
| 363 | L | 92.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.7 | -37.4 | 178.1 | -62 | 174.7 | 0 | 0 | 0 | 111.6 | F301 C302 R305 L306 L359 I366 L367 | F301-L363 HydrophobicContact CD1-CD2 4.47Å; F301-L363 HydrophobicContact CE1-CD2 4.01Å; C302-L363 HydrophobicContact CB-CB 4.43Å; C302-L363 HydrophobicContact CB-CD2 4.38Å; R305-L363 HydrophobicContact CB-CD1 3.87Å; L306-L363 HydrophobicContact CD1-CB 4.08Å; L306-L363 HydrophobicContact CD2-CB 4.09Å; L306-L363 HydrophobicContact CD2-CD1 4.27Å; L306-L363 HydrophobicContact CG-CB 4.02Å; L306-L363 HydrophobicContact CG-CD1 4.22Å; L359-L363 WeakPolarHBondContact O-CB 3.35Å; L359-L363 WeakPolarHBondContact O-CG 3.41Å; L359-L363 PolarHBondContact O-N 2.84Å; L363-I366 PolarHBondContact O-N 3.03Å; L363-L367 PolarHBondContact O-N 3.44Å |
| 364 | S | 91.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.7 | -48.6 | 175 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | V360 F361 G362 I366 L367 Q368 P406 | V360-S364 WeakPolarHBondContact O-CB 3.5Å; V360-S364 PolarHBondContact O-N 3.37Å; V360-S364 PolarHBondContact O-OG 2.87Å; F361-S364 PolarHBondContact O-N 3.45Å; G362-S364 VanDerWaalsContact C-N 3.34Å; G362-S364 PolarHBondContact O-N 3.39Å; S364-I366 VanDerWaalsContact C-N 3.28Å; S364-I366 PolarHBondContact O-N 3.37Å; S364-L367 PolarHBondContact O-N 3.01Å; S364-Q368 WeakPolarHBondContact O-CB 3.41Å; S364-Q368 VanDerWaalsContact O-CG 3.29Å; S364-Q368 WeakPolarHBondContact O-CG 3.43Å; S364-Q368 PolarHBondContact O-N 2.95Å; S364-Q368 PolarHBondContact O-OE1 3.09Å; S364-P406 VanDerWaalsContact CB-O 3.3Å; S364-P406 WeakPolarHBondContact CB-O 3.27Å |
| 365 | C | 91.6 | Very high | 91 | Very high | 34 Ų | 34 | 27.2 Ų | 27.2 | 23% | 0.23 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.4 | -35.6 | 178 | -68.2 | 0 | 0 | 0 | 0 | 111.9 | F361 G362 T369 | F361-C365 WeakPolarHBondContact O-CB 3.38Å; F361-C365 PolarHBondContact O-N 3.35Å; F361-C365 PolarHBondContact O-SG 3.02Å; G362-C365 PolarHBondContact O-N 3.09Å; C365-T369 VanDerWaalsContact O-CB 3.3Å; C365-T369 WeakPolarHBondContact O-CB 3.45Å; C365-T369 PolarHBondContact O-N 3.25Å; C365-T369 PolarHBondContact O-OG1 3.39Å |
| 366 | I | 93.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 2% | 0.015 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.2 | -49.1 | 174.8 | -71.1 | 161.7 | 0 | 0 | 0 | 110.7 | L278 L281 L282 L298 G362 L363 S364 Q368 T369 I370 | L278-I366 HydrophobicContact CD1-CD1 4.37Å; L281-I366 HydrophobicContact CB-CD1 4.39Å; L281-I366 HydrophobicContact CD2-CD1 3.7Å; L281-I366 HydrophobicContact CG-CD1 3.76Å; L282-I366 HydrophobicContact CD2-CD1 3.98Å; L282-I366 HydrophobicContact CD2-CG1 3.84Å; L282-I366 HydrophobicContact CG-CD1 4.49Å; L298-I366 HydrophobicContact CD1-CG2 4.03Å; L298-I366 HydrophobicContact CD2-CG2 3.73Å; L298-I366 HydrophobicContact CG-CG2 3.74Å; G362-I366 WeakPolarHBondContact O-CD1 3.43Å; G362-I366 VanDerWaalsContact O-CG1 3.27Å; G362-I366 WeakPolarHBondContact O-CG1 3.25Å; G362-I366 PolarHBondContact O-N 3.36Å; L363-I366 PolarHBondContact O-N 3.03Å; S364-I366 VanDerWaalsContact C-N 3.28Å; S364-I366 PolarHBondContact O-N 3.37Å; I366-Q368 PolarHBondContact O-N 3.33Å; I366-T369 PolarHBondContact O-N 3.12Å; I366-I370 HydrophobicContact CG2-CD1 3.83Å; I366-I370 WeakPolarHBondContact O-CG1 3.43Å; I366-I370 PolarHBondContact O-N 3.13Å |
| 367 | L | 93.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 177.8 | -76 | 170.4 | 0 | 0 | 0 | 112.4 | A299 C302 T303 L306 L363 S364 T369 I370 L371 L405 | A299-L367 HydrophobicContact CB-CD2 3.98Å; C302-L367 HydrophobicContact CB-CD1 3.83Å; C302-L367 HydrophobicContact CB-CD2 3.8Å; C302-L367 HydrophobicContact CB-CG 3.59Å; T303-L367 HydrophobicContact CG2-CD1 3.79Å; T303-L367 HydrophobicContact CG2-CD2 3.79Å; T303-L367 HydrophobicContact CG2-CG 4.48Å; L306-L367 HydrophobicContact CD1-CD1 3.61Å; L363-L367 PolarHBondContact O-N 3.44Å; S364-L367 PolarHBondContact O-N 3.01Å; L367-T369 VanDerWaalsContact C-N 3.33Å; L367-T369 PolarHBondContact O-N 2.95Å; L367-I370 PolarHBondContact O-N 3.46Å; L367-L371 WeakPolarHBondContact O-CB 3.46Å; L367-L371 PolarHBondContact O-N 3.19Å; L367-L405 HydrophobicContact CB-CD1 4.22Å; L367-L405 HydrophobicContact CD1-CD1 3.95Å |
| 368 | Q | 92.5 | Very high | 92.1 | Very high | 9 Ų | 9 | 15.8 Ų | 15.8 | 4% | 0.042 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.8 | -37.9 | 176.8 | -70.1 | 164.3 | -15.9 | 0 | 0 | 111.7 | S364 I366 L371 L372 P402 L405 L422 | S364-Q368 WeakPolarHBondContact O-CB 3.41Å; S364-Q368 VanDerWaalsContact O-CG 3.29Å; S364-Q368 WeakPolarHBondContact O-CG 3.43Å; S364-Q368 PolarHBondContact O-N 2.95Å; S364-Q368 PolarHBondContact O-OE1 3.09Å; I366-Q368 PolarHBondContact O-N 3.33Å; Q368-L371 PolarHBondContact O-N 3.42Å; Q368-L372 VanDerWaalsContact O-CG 3.29Å; Q368-L372 WeakPolarHBondContact O-CG 3.45Å; Q368-L372 PolarHBondContact O-N 2.63Å; Q368-P402 PolarHBondContact NE2-O 2.93Å; Q368-L405 PolarHBondContact NE2-O 2.93Å; Q368-L422 HydrophobicContact CB-CD1 4.28Å; Q368-L422 HydrophobicContact CB-CD2 3.95Å; Q368-L422 HydrophobicContact CG-CD1 3.85Å; Q368-L422 HydrophobicContact CG-CD2 4.08Å |
| 369 | T | 93.9 | Very high | 92.3 | Very high | 46 Ų | 46 | 13.1 Ų | 13.1 | 28% | 0.282 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -66.3 | -40.6 | 174.3 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | V289 C365 I366 L367 C373 | V289-T369 HydrophobicContact CG1-CG2 4.16Å; C365-T369 VanDerWaalsContact O-CB 3.3Å; C365-T369 WeakPolarHBondContact O-CB 3.45Å; C365-T369 PolarHBondContact O-N 3.25Å; C365-T369 PolarHBondContact O-OG1 3.39Å; I366-T369 PolarHBondContact O-N 3.12Å; L367-T369 VanDerWaalsContact C-N 3.33Å; L367-T369 PolarHBondContact O-N 2.95Å; T369-C373 VanDerWaalsContact O-CB 3.3Å; T369-C373 WeakPolarHBondContact O-CB 3.18Å; T369-C373 PolarHBondContact O-N 3.14Å |
| 370 | I | 95 | Very high | 92.3 | Very high | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.3 | -44.2 | 175.2 | -67.5 | 162.1 | 0 | 0 | 0 | 110.5 | V289 L298 A299 I366 L367 C373 C374 A377 L378 | V289-I370 HydrophobicContact CG1-CG1 4.1Å; L298-I370 HydrophobicContact CB-CD1 4.25Å; L298-I370 HydrophobicContact CD2-CD1 4.1Å; L298-I370 HydrophobicContact CG-CD1 3.92Å; A299-I370 HydrophobicContact CB-CD1 4.31Å; I366-I370 HydrophobicContact CG2-CD1 3.83Å; I366-I370 WeakPolarHBondContact O-CG1 3.43Å; I366-I370 PolarHBondContact O-N 3.13Å; L367-I370 PolarHBondContact O-N 3.46Å; I370-C373 PolarHBondContact O-N 3.03Å; I370-C374 CarbonylContact O-C 3.58Å; I370-C374 VanDerWaalsContact O-CA 3.29Å; I370-C374 WeakPolarHBondContact O-CA 3.39Å; I370-C374 PolarHBondContact O-N 3.3Å; I370-A377 HydrophobicContact CG2-CB 4.26Å; I370-L378 HydrophobicContact CG2-CD1 4.11Å; I370-L378 HydrophobicContact CG2-CD2 4.01Å; I370-L378 HydrophobicContact CG2-CG 3.99Å |
| 371 | L | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.5 | -45.4 | 179.8 | -166.8 | 131.6 | 0 | 0 | 0 | 111.9 | L367 Q368 L378 L395 P402 L422 I425 E426 I429 | L367-L371 WeakPolarHBondContact O-CB 3.46Å; L367-L371 PolarHBondContact O-N 3.19Å; Q368-L371 PolarHBondContact O-N 3.42Å; L371-L378 HydrophobicContact CB-CD1 3.78Å; L371-L378 HydrophobicContact CD1-CD1 3.84Å; L371-L378 HydrophobicContact CG-CD1 4.04Å; L371-L395 HydrophobicContact CD1-CD1 4.4Å; L371-P402 HydrophobicContact CD1-CB 3.98Å; L371-P402 HydrophobicContact CD1-CG 4.18Å; L371-L422 HydrophobicContact CB-CD2 4.36Å; L371-L422 HydrophobicContact CD2-CB 4.34Å; L371-L422 HydrophobicContact CD2-CD2 3.62Å; L371-L422 WeakPolarHBondContact CD2-O 3.22Å; L371-I425 HydrophobicContact CD2-CB 3.86Å; L371-I425 HydrophobicContact CD2-CG2 3.91Å; L371-I425 HydrophobicContact CG-CG2 4.17Å; L371-I425 WeakPolarHBondContact O-CG2 3.48Å; L371-E426 HydrophobicContact CD1-CB 4.46Å; L371-I429 HydrophobicContact CD1-CD1 3.71Å; L371-I429 HydrophobicContact CG-CD1 3.73Å |
| 372 | L | 92.7 | Very high | 91.3 | Very high | 64 Ų | 64 | 15.9 Ų | 15.9 | 34% | 0.335 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -68.2 | -40.2 | 178.4 | -67.2 | 169.9 | 0 | 0 | 0 | 113.6 | Q368 V418 K421 L422 I425 | Q368-L372 VanDerWaalsContact O-CG 3.29Å; Q368-L372 WeakPolarHBondContact O-CG 3.45Å; Q368-L372 PolarHBondContact O-N 2.63Å; L372-V418 HydrophobicContact CD1-CG1 4.41Å; L372-K421 HydrophobicContact CD2-CB 4.23Å; L372-K421 HydrophobicContact CD2-CG 4.07Å; L372-L422 HydrophobicContact CD1-CD2 4.2Å; L372-L422 HydrophobicContact CD2-CD2 3.93Å; L372-L422 HydrophobicContact CD2-CG 4.27Å; L372-L422 HydrophobicContact CG-CD2 3.75Å; L372-L422 HydrophobicContact CG-CG 4.49Å; L372-I425 HydrophobicContact CD2-CD1 4.2Å |
| 373 | C | 93.7 | Very high | 90.3 | Very high | 54 Ų | 54 | 16.9 Ų | 16.9 | 37% | 0.365 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -99.1 | -31.2 | -169.6 | -63.6 | 0 | 0 | 0 | 0 | 114.1 | V289 T369 I370 K1635 Q1638 | V289-C373 HydrophobicContact CB-CB 3.79Å; V289-C373 HydrophobicContact CG1-CB 4.02Å; V289-C373 HydrophobicContact CG2-CB 3.9Å; T369-C373 VanDerWaalsContact O-CB 3.3Å; T369-C373 WeakPolarHBondContact O-CB 3.18Å; T369-C373 PolarHBondContact O-N 3.14Å; I370-C373 PolarHBondContact O-N 3.03Å; C373-K1635 PolarHBondContact O-NZ 3.05Å; C373-Q1638 PolarHBondContact O-NE2 3.36Å |
| 374 | C | 93.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -137.5 | 54.2 | -170.2 | -163.9 | 0 | 0 | 0 | 0 | 112.6 | V289 A292 I370 S376 A377 Q1638 | V289-C374 HydrophobicContact CB-CB 4.18Å; V289-C374 HydrophobicContact CG1-CB 4.38Å; A292-C374 VanDerWaalsContact CA-SG 3.57Å; I370-C374 CarbonylContact O-C 3.58Å; I370-C374 VanDerWaalsContact O-CA 3.29Å; I370-C374 WeakPolarHBondContact O-CA 3.39Å; I370-C374 PolarHBondContact O-N 3.3Å; C374-S376 VanDerWaalsContact C-N 3.26Å; C374-S376 PolarHBondContact O-N 3.48Å; C374-A377 VanDerWaalsContact O-CB 3.3Å; C374-A377 WeakPolarHBondContact O-CB 3.37Å; C374-A377 PolarHBondContact O-N 3.37Å; C374-Q1638 PolarHBondContact SG-NE2 3.33Å; C374-Q1638 VanDerWaalsContact SG-NE2 3.41Å | ||
| 375 | P | 92.5 | Very high | 87 | Confident | 18 Ų | 18 | 24.8 Ų | 24.8 | 12% | 0.117 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -59.2 | -32.1 | -174.5 | 22.8 | -34.1 | 0 | 0 | 0 | 113.8 | A377 L378 V379 I425 I429 | P375-A377 PolarHBondContact O-N 2.9Å; P375-A377 VanDerWaalsContact O-N 3.09Å; P375-L378 WeakPolarHBondContact O-CA 3.19Å; P375-L378 WeakPolarHBondContact O-CB 3.14Å; P375-L378 PolarHBondContact O-N 3.02Å; P375-V379 PolarHBondContact O-N 3.13Å; P375-I425 HydrophobicContact CB-CG2 3.77Å; P375-I425 HydrophobicContact CG-CG2 4.37Å; P375-I429 HydrophobicContact CB-CD1 3.86Å; P375-I429 HydrophobicContact CB-CG1 3.94Å |
| 376 | S | 91 | Very high | 84.9 | Confident | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.028 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -63.6 | -12.5 | 176.4 | -46.3 | 0 | 0 | 0 | 0 | 114.3 | C374 L378 R432 | C374-S376 VanDerWaalsContact C-N 3.26Å; C374-S376 PolarHBondContact O-N 3.48Å; S376-L378 VanDerWaalsContact C-N 3.3Å; S376-R432 PolarHBondContact OG-NH2 3.41Å |
| 377 | A | 91.7 | Very high | 82.7 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -71.8 | -27.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A292 R296 I370 C374 P375 | A292-A377 HydrophobicContact CB-CB 4.36Å; A292-A377 WeakPolarHBondContact O-CB 3.48Å; R296-A377 HydrophobicContact CB-CB 4.13Å; R296-A377 WeakPolarHBondContact CB-O 3.23Å; R296-A377 VanDerWaalsContact CG-O 3.3Å; R296-A377 WeakPolarHBondContact CG-O 3.37Å; R296-A377 PolarHBondContact NH1-O 2.89Å; I370-A377 HydrophobicContact CG2-CB 4.26Å; C374-A377 VanDerWaalsContact O-CB 3.3Å; C374-A377 WeakPolarHBondContact O-CB 3.37Å; C374-A377 PolarHBondContact O-N 3.37Å; P375-A377 PolarHBondContact O-N 2.9Å; P375-A377 VanDerWaalsContact O-N 3.09Å |
| 378 | L | 93.7 | Very high | 80.5 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -9.9 | -172 | -56.9 | 179.3 | 0 | 0 | 0 | 113.7 | A299 I370 L371 P375 S376 S393 P394 L395 I429 | A299-L378 HydrophobicContact CB-CD2 3.46Å; A299-L378 VanDerWaalsContact CB-CD2 3.46Å; I370-L378 HydrophobicContact CG2-CD1 4.11Å; I370-L378 HydrophobicContact CG2-CD2 4.01Å; I370-L378 HydrophobicContact CG2-CG 3.99Å; L371-L378 HydrophobicContact CB-CD1 3.78Å; L371-L378 HydrophobicContact CD1-CD1 3.84Å; L371-L378 HydrophobicContact CG-CD1 4.04Å; P375-L378 WeakPolarHBondContact O-CA 3.19Å; P375-L378 WeakPolarHBondContact O-CB 3.14Å; P375-L378 PolarHBondContact O-N 3.02Å; S376-L378 VanDerWaalsContact C-N 3.3Å; L378-S393 WeakPolarHBondContact O-CB 3.42Å; L378-S393 PolarHBondContact O-OG 2.89Å; L378-P394 HydrophobicContact CD2-CB 4.05Å; L378-P394 HydrophobicContact CD2-CG 4.07Å; L378-L395 HydrophobicContact CB-CD1 4.28Å; L378-L395 HydrophobicContact CB-CG 4.36Å; L378-L395 HydrophobicContact CD1-CD1 4.42Å; L378-L395 HydrophobicContact CD1-CD2 4.27Å; L378-L395 HydrophobicContact CD2-CD2 4.21Å; L378-L395 HydrophobicContact CD2-CG 4.45Å; L378-I429 HydrophobicContact CB-CD1 4.03Å; L378-I429 HydrophobicContact CB-CG2 4.14Å; L378-I429 HydrophobicContact CD1-CD1 4.04Å; L378-I429 WeakPolarHBondContact O-CG2 3.5Å |
| 379 | V | 92.1 | Very high | 78.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -60.1 | 145.9 | 171.8 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | R296 P375 R432 V436 | R296-V379 PolarHBondContact NH1-O 2.85Å; P375-V379 PolarHBondContact O-N 3.13Å; V379-R432 HydrophobicContact CG1-CB 4.11Å; V379-R432 HydrophobicContact CG2-CB 4.07Å; V379-V436 HydrophobicContact CG1-CG2 3.72Å |
| 380 | W | 89.8 | Confident | 76.7 | Confident | 51 Ų | 51 | 46.9 Ų | 46.9 | 19% | 0.193 | 24% | 0.235 | C | C | . | . | trans | -63 | 138.3 | 177.7 | -168 | 107.8 | 0 | 0 | 0 | 110.4 | Y382 G392 V436 E437 | W380-Y382 AromaticContact CZ3-CD1 3.73Å; W380-Y382 HydrophobicContact CZ3-CD1 3.73Å; W380-Y382 HydrophobicContact CZ3-CG 4.17Å; W380-G392 WeakPolarHBondContact CA-O 3.41Å; W380-V436 HydrophobicContact CE3-CB 4.21Å; W380-V436 HydrophobicContact CE3-CG1 3.99Å; W380-V436 HydrophobicContact CZ3-CG1 4.38Å; W380-V436 WeakPolarHBondContact O-CB 3.45Å; W380-V436 VanDerWaalsContact O-CG1 3.31Å; W380-V436 WeakPolarHBondContact O-CG1 3.12Å; W380-E437 HydrophobicContact CD2-CB 4.17Å; W380-E437 HydrophobicContact CE3-CB 4.01Å; W380-E437 HydrophobicContact CH2-CB 4.06Å; W380-E437 HydrophobicContact CH2-CG 3.82Å; W380-E437 HydrophobicContact CZ2-CB 4.21Å; W380-E437 HydrophobicContact CZ2-CG 3.78Å; W380-E437 VanDerWaalsContact CZ2-OE1 3.3Å; W380-E437 WeakPolarHBondContact CZ2-OE1 3.35Å; W380-E437 HydrophobicContact CZ3-CB 3.93Å; W380-E437 HydrophobicContact CZ3-CG 4.23Å | ||
| 381 | H | 83 | Confident | 75.4 | Confident | 8 Ų | 8 | 49.1 Ų | 49.1 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -136.3 | 145.4 | 175.1 | -62.7 | 151.9 | 0 | 0 | 0 | 110.9 | R296 T391 G392 S1588 V1589 N1592 | R296-H381 PolarHBondContact NH1-ND1 2.99Å; H381-T391 CarbonylContact O-C 3.55Å; H381-T391 WeakPolarHBondContact O-CA 3.5Å; H381-G392 PolarHBondContact N-O 3.46Å; H381-G392 PolarHBondContact O-N 3.38Å; H381-S1588 PolarHBondContact CE1-OG 3.12Å; H381-S1588 PolarHBondContact NE2-OG 3.18Å; H381-V1589 HydrophobicContact CB-CG2 4.45Å; H381-V1589 WeakPolarHBondContact CD2-CG2 2.98Å; H381-N1592 PolarHBondContact CE1-ND2 2.83Å |
| 382 | Y | 76 | Confident | 74.9 | Confident | 32 Ų | 32 | 49.5 Ų | 49.5 | 13% | 0.125 | 25% | 0.253 | C | S | . | . | trans | -106.5 | 166.1 | 169.4 | 64.6 | -80.3 | 0 | 0 | 0 | 112.4 | W380 V436 R439 F1545 V1589 | W380-Y382 AromaticContact CZ3-CD1 3.73Å; W380-Y382 HydrophobicContact CZ3-CD1 3.73Å; W380-Y382 HydrophobicContact CZ3-CG 4.17Å; Y382-V436 HydrophobicContact CD1-CG1 3.98Å; Y382-V436 HydrophobicContact CE1-CG1 4.04Å; Y382-R439 HydrophobicContact CE1-CG 4.22Å; Y382-F1545 WeakPolarHBondContact OH-CB 3.2Å; Y382-F1545 VanDerWaalsContact OH-CD1 3.31Å; Y382-F1545 WeakPolarHBondContact OH-CD1 3.39Å; Y382-V1589 HydrophobicContact CD1-CG1 4.49Å; Y382-V1589 HydrophobicContact CE1-CG1 4.18Å | ||
| 383 | S | 67.7 | Low | 74.7 | Confident | 26 Ų | 26 | 46.7 Ų | 46.7 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | trans | -143.9 | 141.3 | 170.5 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | T385 A1596 | S383-T385 PolarHBondContact O-N 3.26Å; S383-T385 PolarHBondContact OG-N 3.26Å; S383-T385 PolarHBondContact OG-OG1 2.91Å; S383-T385 VanDerWaalsContact OG-OG1 3.08Å; S383-A1596 VanDerWaalsContact OG-CB 3.24Å; S383-A1596 WeakPolarHBondContact OG-CB 3.44Å | ||
| 384 | L | 62.6 | Low | 74.5 | Confident | 89 Ų | 89 | 44.1 Ų | 44.1 | 47% | 0.466 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -70 | -15.2 | 174.5 | -67.4 | 173.2 | 0 | 0 | 0 | 113.4 | D1546 Q1549 R1550 | L384-D1546 HydrophobicContact CD1-CB 4.27Å; L384-D1546 HydrophobicContact CD2-CB 3.96Å; L384-Q1549 HydrophobicContact CD1-CB 3.64Å; L384-R1550 HydrophobicContact CD1-CG 4.36Å |
| 385 | T | 54.4 | Low | 74.3 | Confident | 77 Ų | 77 | 45.5 Ų | 45.5 | 47% | 0.472 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -97.7 | 107.5 | 173.1 | 54.7 | 0 | 0 | 0 | 0 | 109.6 | S383 S387 | S383-T385 PolarHBondContact O-N 3.26Å; S383-T385 PolarHBondContact OG-N 3.26Å; S383-T385 PolarHBondContact OG-OG1 2.91Å; S383-T385 VanDerWaalsContact OG-OG1 3.08Å; T385-S387 VanDerWaalsContact C-N 3.32Å; T385-S387 PolarHBondContact O-N 3.25Å; T385-S387 PolarHBondContact O-OG 2.94Å |
| 386 | D | 46.3 | Very low | 74.1 | Confident | 123 Ų | 123 | 49.6 Ų | 49.6 | 66% | 0.658 | 25% | 0.25 | S | C | * | . | trans | -63.5 | 84.5 | -174.3 | -180 | 27.5 | 0 | 0 | 0 | 112.9 | R388 | D386-R388 VanDerWaalsContact OD1-CG 3.29Å; D386-R388 WeakPolarHBondContact OD1-CG 3.32Å; D386-R388 IonicContact OD2-NE 2.88Å | ||
| 387 | S | 47.7 | Very low | 73.8 | Confident | 34 Ų | 34 | 52.6 Ų | 52.6 | 24% | 0.238 | 26% | 0.263 | C | S | . | . | trans | -111.3 | 89.4 | 169 | 53.7 | 0 | 0 | 0 | 0 | 108.3 | T385 I389 K390 | T385-S387 VanDerWaalsContact C-N 3.32Å; T385-S387 PolarHBondContact O-N 3.25Å; T385-S387 PolarHBondContact O-OG 2.94Å; S387-I389 PolarHBondContact O-N 3.35Å; S387-K390 PolarHBondContact O-N 3.39Å; S387-K390 VanDerWaalsContact O-N 3.08Å | ||
| 388 | R | 46.6 | Very low | 73.5 | Confident | 211 Ų | 211 | 53.4 Ų | 53.4 | 80% | 0.796 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 15.4 | -177.9 | -67.5 | -174.8 | -112.4 | 165.3 | -2.9 | 117.4 | D386 | D386-R388 VanDerWaalsContact OD1-CG 3.29Å; D386-R388 WeakPolarHBondContact OD1-CG 3.32Å; D386-R388 IonicContact OD2-NE 2.88Å |
| 389 | I | 50.2 | Low | 72.8 | Confident | 110 Ų | 110 | 57.4 Ų | 57.4 | 56% | 0.564 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.9 | -8.5 | -174.9 | -54.2 | -178.7 | 0 | 0 | 0 | 111.3 | R304 S387 | R304-I389 VanDerWaalsContact NH1-CG2 3.29Å; R304-I389 PolarHBondContact NH2-O 3.07Å; S387-I389 PolarHBondContact O-N 3.35Å |
| 390 | K | 56.5 | Low | 72.5 | Confident | 80 Ų | 80 | 59.1 Ų | 59.1 | 35% | 0.348 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | -15.6 | -175 | -68.4 | -179.8 | -176.8 | 173.4 | 0 | 115.9 | Y300 S387 A1596 D1598 | Y300-K390 PolarHBondContact OH-O 3.22Å; Y300-K390 VanDerWaalsContact OH-O 3.1Å; S387-K390 PolarHBondContact O-N 3.39Å; S387-K390 VanDerWaalsContact O-N 3.08Å; K390-A1596 PolarHBondContact NZ-O 3.08Å; K390-D1598 PolarHBondContact NZ-O 2.95Å |
| 391 | T | 68.6 | Low | 72.3 | Confident | 49 Ų | 49 | 58.1 Ų | 58.1 | 30% | 0.301 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -68.5 | 163.9 | 166.9 | 40.6 | 0 | 0 | 0 | 0 | 110.9 | Y300 H381 | Y300-T391 PolarHBondContact OH-O 2.94Å; Y300-T391 VanDerWaalsContact OH-O 3.13Å; H381-T391 CarbonylContact O-C 3.55Å; H381-T391 WeakPolarHBondContact O-CA 3.5Å |
| 392 | G | 81.7 | Confident | 72.5 | Confident | 8 Ų | 8 | 58 Ų | 58 | 8% | 0.082 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | 84 | -159.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | R296 W380 H381 D396 | R296-G392 PolarHBondContact NH2-O 2.96Å; W380-G392 WeakPolarHBondContact CA-O 3.41Å; H381-G392 PolarHBondContact N-O 3.46Å; H381-G392 PolarHBondContact O-N 3.38Å; G392-D396 WeakPolarHBondContact CA-OD2 3.48Å |
| 393 | S | 89.4 | Confident | 73 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | trans | -99.9 | 152.1 | 164.9 | 178.2 | 0 | 0 | 0 | 0 | 111 | L378 L395 D396 | L378-S393 WeakPolarHBondContact O-CB 3.42Å; L378-S393 PolarHBondContact O-OG 2.89Å; S393-L395 PolarHBondContact O-N 2.68Å; S393-L395 WeakPolarHBondContact OG-CB 3.08Å; S393-L395 PolarHBondContact OG-N 2.97Å; S393-D396 WeakPolarHBondContact CB-OD1 3.38Å; S393-D396 PolarHBondContact N-OD2 3.44Å; S393-D396 PolarHBondContact O-N 2.76Å | ||
| 394 | P | 88.9 | Confident | 74 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -56.4 | -24.4 | 162.1 | -23.8 | 34.5 | 0 | 0 | 0 | 114 | R296 A299 Y300 T303 L378 | R296-P394 HydrophobicContact CG-CG 3.85Å; A299-P394 HydrophobicContact CB-CB 3.6Å; A299-P394 HydrophobicContact CB-CG 4.05Å; Y300-P394 HydrophobicContact CD1-CB 4.03Å; Y300-P394 HydrophobicContact CD1-CG 4.41Å; Y300-P394 HydrophobicContact CD2-CB 4.31Å; Y300-P394 HydrophobicContact CD2-CG 3.98Å; Y300-P394 HydrophobicContact CE1-CB 4.21Å; Y300-P394 HydrophobicContact CE1-CG 4.29Å; Y300-P394 HydrophobicContact CE2-CB 4.48Å; Y300-P394 HydrophobicContact CE2-CG 3.84Å; Y300-P394 HydrophobicContact CG-CB 4.08Å; Y300-P394 HydrophobicContact CG-CG 4.26Å; T303-P394 WeakPolarHBondContact CB-O 3.29Å; T303-P394 VanDerWaalsContact CG2-O 3.25Å; T303-P394 WeakPolarHBondContact CG2-O 3.24Å; T303-P394 PolarHBondContact OG1-O 3.35Å; L378-P394 HydrophobicContact CD2-CB 4.05Å; L378-P394 HydrophobicContact CD2-CG 4.07Å |
| 395 | L | 90.4 | Very high | 75.2 | Confident | 28 Ų | 28 | 54.9 Ų | 54.9 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -76.3 | -25.6 | -178.1 | -58.5 | -175.8 | 0 | 0 | 0 | 113.2 | L371 L378 S393 H397 L398 P402 I429 | L371-L395 HydrophobicContact CD1-CD1 4.4Å; L378-L395 HydrophobicContact CB-CD1 4.28Å; L378-L395 HydrophobicContact CB-CG 4.36Å; L378-L395 HydrophobicContact CD1-CD1 4.42Å; L378-L395 HydrophobicContact CD1-CD2 4.27Å; L378-L395 HydrophobicContact CD2-CD2 4.21Å; L378-L395 HydrophobicContact CD2-CG 4.45Å; S393-L395 PolarHBondContact O-N 2.68Å; S393-L395 WeakPolarHBondContact OG-CB 3.08Å; S393-L395 PolarHBondContact OG-N 2.97Å; L395-H397 PolarHBondContact O-N 3.29Å; L395-L398 WeakPolarHBondContact O-CB 3.43Å; L395-L398 PolarHBondContact O-N 2.9Å; L395-P402 HydrophobicContact CD1-CG 4.13Å; L395-P402 HydrophobicContact CD2-CG 3.73Å; L395-P402 HydrophobicContact CG-CG 4.48Å; L395-I429 HydrophobicContact CD1-CG2 4.07Å |
| 396 | D | 87.8 | Confident | 76.8 | Confident | 104 Ų | 104 | 51.7 Ų | 51.7 | 56% | 0.556 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -60 | -17.6 | 178.4 | -51.1 | -17 | 0 | 0 | 0 | 112.9 | G392 S393 | G392-D396 WeakPolarHBondContact CA-OD2 3.48Å; S393-D396 WeakPolarHBondContact CB-OD1 3.38Å; S393-D396 PolarHBondContact N-OD2 3.44Å; S393-D396 PolarHBondContact O-N 2.76Å |
| 397 | H | 84.2 | Confident | 78.4 | Confident | 67 Ų | 67 | 47.3 Ų | 47.3 | 31% | 0.31 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -92.8 | 5.9 | 177.9 | -61.5 | 61.2 | 0 | 0 | 0 | 113 | Y300 R304 A307 L395 | Y300-H397 AromaticContact CE1-CE1 3.62Å; Y300-H397 AromaticContact CE1-ND1 3.95Å; R304-H397 HydrophobicContact CG-CB 4.23Å; R304-H397 PolarHBondContact NE-CD2 2.91Å; R304-H397 PolarHBondContact NE-NE2 3.47Å; R304-H397 PolarHBondContact NH2-NE2 3.13Å; A307-H397 WeakPolarHBondContact CB-O 3.46Å; L395-H397 PolarHBondContact O-N 3.29Å |
| 398 | L | 85.7 | Confident | 79.7 | Confident | 17 Ų | 17 | 49.2 Ų | 49.2 | 9% | 0.089 | 26% | 0.257 | C | S | . | . | trans | -113.9 | 116 | -176.6 | -170 | 71.4 | 0 | 0 | 0 | 110.1 | T303 L306 L395 I400 P402 L405 | T303-L398 HydrophobicContact CG2-CB 3.87Å; T303-L398 HydrophobicContact CG2-CD1 4.22Å; T303-L398 HydrophobicContact CG2-CD2 4.36Å; T303-L398 HydrophobicContact CG2-CG 4.38Å; L306-L398 HydrophobicContact CB-CD1 4.02Å; L306-L398 HydrophobicContact CD1-CD1 4.11Å; L395-L398 WeakPolarHBondContact O-CB 3.43Å; L395-L398 PolarHBondContact O-N 2.9Å; L398-I400 WeakPolarHBondContact CD2-O 3.45Å; L398-I400 WeakPolarHBondContact CG-O 3.41Å; L398-I400 PolarHBondContact O-N 3.49Å; L398-P402 HydrophobicContact CD2-CG 4.09Å; L398-L405 HydrophobicContact CD1-CD2 4.38Å; L398-L405 HydrophobicContact CD2-CD1 3.96Å; L398-L405 HydrophobicContact CD2-CD2 4.45Å; L398-L405 HydrophobicContact CD2-CG 4.31Å | ||
| 399 | P | 78.4 | Confident | 80.6 | Confident | 85 Ų | 85 | 47.2 Ų | 47.2 | 55% | 0.552 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -74.9 | 3.8 | -173.8 | 30.4 | -36.7 | 0 | 0 | 0 | 114.8 | L310 | L310-P399 HydrophobicContact CD1-CG 3.47Å; L310-P399 VanDerWaalsContact CD1-CG 3.47Å |
| 400 | I | 86.4 | Confident | 81.1 | Confident | 37 Ų | 37 | 44.5 Ų | 44.5 | 19% | 0.19 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -138.7 | 153.3 | 170.5 | 64.3 | 168.5 | 0 | 0 | 0 | 111.5 | P346 F347 L398 N404 L405 | P346-I400 HydrophobicContact CG-CD1 4.44Å; P346-I400 HydrophobicContact CG-CG2 3.72Å; F347-I400 HydrophobicContact CD2-CD1 4.07Å; F347-I400 HydrophobicContact CE2-CD1 3.74Å; F347-I400 HydrophobicContact CE2-CG1 4.26Å; L398-I400 WeakPolarHBondContact CD2-O 3.45Å; L398-I400 WeakPolarHBondContact CG-O 3.41Å; L398-I400 PolarHBondContact O-N 3.49Å; I400-N404 HydrophobicContact CD1-CB 4.42Å; I400-L405 HydrophobicContact CD1-CD2 4.11Å; I400-L405 HydrophobicContact CD1-CG 4.48Å; I400-L405 HydrophobicContact CG1-CD2 4.27Å |
| 401 | A | 86.6 | Confident | 81.7 | Confident | 29 Ų | 29 | 46.5 Ų | 46.5 | 24% | 0.24 | 27% | 0.27 | C | S | . | . | trans | -49.3 | 132.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S403 N404 L405 E426 | A401-S403 PolarHBondContact O-N 3.41Å; A401-S403 VanDerWaalsContact O-N 3.17Å; A401-N404 HydrophobicContact CB-CB 4.3Å; A401-N404 WeakPolarHBondContact O-CA 3.44Å; A401-N404 WeakPolarHBondContact O-CB 3.38Å; A401-N404 PolarHBondContact O-N 3.04Å; A401-L405 PolarHBondContact O-N 3.47Å; A401-E426 WeakPolarHBondContact CB-OE1 3.31Å | ||
| 402 | P | 85.8 | Confident | 82 | Confident | 7 Ų | 7 | 48 Ų | 48 | 5% | 0.045 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -54.4 | -32.2 | 175.4 | -30.2 | 36.4 | 0 | 0 | 0 | 114.7 | Q368 L371 L395 L398 N404 L405 | Q368-P402 PolarHBondContact NE2-O 2.93Å; L371-P402 HydrophobicContact CD1-CB 3.98Å; L371-P402 HydrophobicContact CD1-CG 4.18Å; L395-P402 HydrophobicContact CD1-CG 4.13Å; L395-P402 HydrophobicContact CD2-CG 3.73Å; L395-P402 HydrophobicContact CG-CG 4.48Å; L398-P402 HydrophobicContact CD2-CG 4.09Å; P402-N404 PolarHBondContact O-N 2.64Å; P402-L405 HydrophobicContact CB-CD1 4.5Å; P402-L405 WeakPolarHBondContact O-CB 3.38Å; P402-L405 PolarHBondContact O-N 3.46Å |
| 403 | S | 88.2 | Confident | 82 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.028 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -68.7 | -16 | 173.9 | 56.7 | 0 | 0 | 0 | 0 | 114.6 | A401 R419 R423 E426 | A401-S403 PolarHBondContact O-N 3.41Å; A401-S403 VanDerWaalsContact O-N 3.17Å; S403-R419 PolarHBondContact O-NH1 3.1Å; S403-R423 WeakPolarHBondContact OG-CG 3.45Å; S403-E426 WeakPolarHBondContact CB-OE2 3.31Å; S403-E426 PolarHBondContact N-OE2 2.91Å; S403-E426 PolarHBondContact OG-OE2 3.01Å |
| 404 | N | 88 | Confident | 81.7 | Confident | 76 Ų | 76 | 56.4 Ų | 56.4 | 41% | 0.406 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -95.9 | -12.3 | 175.6 | -71.7 | -18.8 | 0 | 0 | 0 | 113.6 | I400 A401 P402 R419 | I400-N404 HydrophobicContact CD1-CB 4.42Å; A401-N404 HydrophobicContact CB-CB 4.3Å; A401-N404 WeakPolarHBondContact O-CA 3.44Å; A401-N404 WeakPolarHBondContact O-CB 3.38Å; A401-N404 PolarHBondContact O-N 3.04Å; P402-N404 PolarHBondContact O-N 2.64Å; N404-R419 PolarHBondContact O-NH1 3.06Å |
| 405 | L | 88.1 | Confident | 81.5 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -54.6 | 149 | 176.3 | -76.8 | 169.4 | 0 | 0 | 0 | 113 | L306 F347 L367 Q368 L398 I400 A401 P402 | L306-L405 HydrophobicContact CD1-CD2 4.02Å; F347-L405 HydrophobicContact CE2-CD2 3.96Å; F347-L405 HydrophobicContact CZ-CD2 4.39Å; L367-L405 HydrophobicContact CB-CD1 4.22Å; L367-L405 HydrophobicContact CD1-CD1 3.95Å; Q368-L405 PolarHBondContact NE2-O 2.93Å; L398-L405 HydrophobicContact CD1-CD2 4.38Å; L398-L405 HydrophobicContact CD2-CD1 3.96Å; L398-L405 HydrophobicContact CD2-CD2 4.45Å; L398-L405 HydrophobicContact CD2-CG 4.31Å; I400-L405 HydrophobicContact CD1-CD2 4.11Å; I400-L405 HydrophobicContact CD1-CG 4.48Å; I400-L405 HydrophobicContact CG1-CD2 4.27Å; A401-L405 PolarHBondContact O-N 3.47Å; P402-L405 HydrophobicContact CB-CD1 4.5Å; P402-L405 WeakPolarHBondContact O-CB 3.38Å; P402-L405 PolarHBondContact O-N 3.46Å |
| 406 | P | 86.5 | Confident | 81.2 | Confident | 11 Ų | 11 | 62.7 Ų | 62.7 | 7% | 0.071 | 36% | 0.358 | C | S | . | . | trans | -59.9 | 136.7 | 179.5 | -26 | 36.8 | 0 | 0 | 0 | 113.6 | F347 L351 V360 F361 S364 | F347-P406 HydrophobicContact CB-CG 4Å; F347-P406 HydrophobicContact CD2-CG 4.17Å; F347-P406 HydrophobicContact CG-CG 4.21Å; L351-P406 HydrophobicContact CD1-CB 4.07Å; L351-P406 HydrophobicContact CD1-CG 3.84Å; L351-P406 HydrophobicContact CD2-CB 3.94Å; L351-P406 HydrophobicContact CD2-CG 4.17Å; L351-P406 HydrophobicContact CG-CG 4.4Å; V360-P406 HydrophobicContact CG1-CB 4.36Å; V360-P406 HydrophobicContact CG1-CG 3.84Å; F361-P406 HydrophobicContact CD1-CB 3.91Å; F361-P406 HydrophobicContact CE1-CB 3.59Å; F361-P406 HydrophobicContact CZ-CB 4.4Å; S364-P406 VanDerWaalsContact CB-O 3.3Å; S364-P406 WeakPolarHBondContact CB-O 3.27Å | ||
| 407 | M | 81.7 | Confident | 81.2 | Confident | 30 Ų | 30 | 64.4 Ų | 64.4 | 15% | 0.148 | 36% | 0.363 | C | S | . | . | trans | -123 | 148.3 | 173.4 | -78.5 | -165 | -75.5 | 0 | 0 | 111.5 | F361 T415 V418 R419 L422 | F361-M407 VanDerWaalsContact CE1-O 3.26Å; F361-M407 WeakPolarHBondContact CE1-O 3.47Å; M407-T415 HydrophobicContact CB-CG2 4.33Å; M407-T415 HydrophobicContact CE-CG2 3.71Å; M407-T415 HydrophobicContact SD-CG2 4.46Å; M407-V418 HydrophobicContact CE-CG1 4.39Å; M407-V418 HydrophobicContact SD-CG1 3.93Å; M407-R419 HydrophobicContact CE-CG 3.3Å; M407-L422 HydrophobicContact CE-CD1 4.47Å; M407-L422 HydrophobicContact SD-CD1 4.48Å | ||
| 408 | P | 75 | Confident | 81.4 | Confident | 74 Ų | 74 | 62.6 Ų | 62.6 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | trans | -55.9 | 144.3 | 179.8 | -25.7 | 34.9 | 0 | 0 | 0 | 113.5 | F361 G410 | F361-P408 HydrophobicContact CD1-CG 4.5Å; P408-G410 PolarHBondContact O-N 3.19Å | ||
| 409 | E | 64 | Low | 81.7 | Confident | 170 Ų | 170 | 65.3 Ų | 65.3 | 79% | 0.794 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -66.1 | 115.4 | 177.9 | -67.9 | 165.4 | 140.9 | 0 | 0 | 110.2 | R357 | R357-E409 IonicContact NH2-OE2 2.72Å; R357-E409 PolarHBondContact NH2-OE2 2.71Å |
| 410 | G | 61.8 | Low | 82.2 | Confident | 52 Ų | 52 | 64.1 Ų | 64.1 | 54% | 0.536 | 36% | 0.363 | S | S | . | . | trans | -167.2 | 176.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P408 S412 | P408-G410 PolarHBondContact O-N 3.19Å; G410-S412 PolarHBondContact O-N 3.08Å | ||
| 411 | N | 68.8 | Low | 82.5 | Confident | 123 Ų | 123 | 66.8 Ų | 66.8 | 66% | 0.658 | 37% | 0.373 | S | S | * | . | trans | -43.3 | 110.4 | -171.1 | -176.1 | 2.9 | 0 | 0 | 0 | 112.6 | A413 F414 T415 | N411-A413 VanDerWaalsContact C-N 3.3Å; N411-A413 PolarHBondContact O-N 2.96Å; N411-F414 PolarHBondContact O-N 3.45Å; N411-T415 PolarHBondContact O-N 3.28Å; N411-T415 VanDerWaalsContact O-N 3.12Å; N411-T415 PolarHBondContact O-OG1 2.99Å | ||
| 412 | S | 73.9 | Confident | 82.9 | Confident | 80 Ų | 80 | 65.4 Ų | 65.4 | 56% | 0.559 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -58.9 | -38.3 | -164.4 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | G410 F414 T415 Q416 | G410-S412 PolarHBondContact O-N 3.08Å; S412-F414 PolarHBondContact O-N 2.7Å; S412-T415 PolarHBondContact O-N 2.9Å; S412-Q416 WeakPolarHBondContact O-CB 3.47Å; S412-Q416 VanDerWaalsContact O-CG 3.28Å; S412-Q416 WeakPolarHBondContact O-CG 3.41Å; S412-Q416 PolarHBondContact O-N 3.28Å |
| 413 | A | 81.7 | Confident | 83.2 | Confident | 59 Ų | 59 | 72 Ų | 72 | 49% | 0.488 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N411 Q416 Q417 | N411-A413 VanDerWaalsContact C-N 3.3Å; N411-A413 PolarHBondContact O-N 2.96Å; A413-Q416 PolarHBondContact O-N 3.35Å; A413-Q417 WeakPolarHBondContact O-CB 3.43Å; A413-Q417 PolarHBondContact O-N 3.22Å |
| 414 | F | 84.3 | Confident | 83.5 | Confident | 131 Ų | 131 | 75.9 Ų | 75.9 | 58% | 0.575 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67 | -44.9 | 175 | 175.4 | -101.9 | 0 | 0 | 0 | 110.9 | N411 S412 Q416 Q417 V418 | N411-F414 PolarHBondContact O-N 3.45Å; S412-F414 PolarHBondContact O-N 2.7Å; F414-Q416 VanDerWaalsContact C-N 3.27Å; F414-Q416 PolarHBondContact O-N 3.06Å; F414-Q417 PolarHBondContact O-N 3.32Å; F414-V418 HydrophobicContact CD1-CG2 4.34Å; F414-V418 HydrophobicContact CE1-CG2 3.89Å; F414-V418 HydrophobicContact CE2-CG2 4.09Å; F414-V418 HydrophobicContact CZ-CG2 3.75Å; F414-V418 WeakPolarHBondContact O-CG2 3.36Å; F414-V418 PolarHBondContact O-N 2.99Å |
| 415 | T | 84 | Confident | 83.8 | Confident | 30 Ų | 30 | 73.1 Ų | 73.1 | 18% | 0.184 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.6 | -37.9 | 176.5 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | M407 N411 S412 R419 | M407-T415 HydrophobicContact CB-CG2 4.33Å; M407-T415 HydrophobicContact CE-CG2 3.71Å; M407-T415 HydrophobicContact SD-CG2 4.46Å; N411-T415 PolarHBondContact O-N 3.28Å; N411-T415 VanDerWaalsContact O-N 3.12Å; N411-T415 PolarHBondContact O-OG1 2.99Å; S412-T415 PolarHBondContact O-N 2.9Å; T415-R419 WeakPolarHBondContact O-CG 3.44Å; T415-R419 PolarHBondContact O-N 3.17Å |
| 416 | Q | 85.3 | Confident | 84 | Confident | 131 Ų | 131 | 74.1 Ų | 74.1 | 61% | 0.612 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -69.1 | -43.1 | 173.9 | -75.3 | 168.4 | -23.7 | 0 | 0 | 112.4 | S412 A413 F414 V418 R419 A420 | S412-Q416 WeakPolarHBondContact O-CB 3.47Å; S412-Q416 VanDerWaalsContact O-CG 3.28Å; S412-Q416 WeakPolarHBondContact O-CG 3.41Å; S412-Q416 PolarHBondContact O-N 3.28Å; A413-Q416 PolarHBondContact O-N 3.35Å; F414-Q416 VanDerWaalsContact C-N 3.27Å; F414-Q416 PolarHBondContact O-N 3.06Å; Q416-V418 VanDerWaalsContact C-N 3.29Å; Q416-V418 PolarHBondContact O-N 3.33Å; Q416-R419 PolarHBondContact O-N 2.99Å; Q416-R419 VanDerWaalsContact O-N 3.17Å; Q416-A420 PolarHBondContact O-N 3.4Å |
| 417 | Q | 87.8 | Confident | 84.2 | Confident | 139 Ų | 139 | 78.1 Ų | 78.1 | 65% | 0.65 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -59.9 | -40.3 | 174.7 | -170 | -178.5 | 26.5 | 0 | 0 | 111.6 | A413 F414 A420 K421 | A413-Q417 WeakPolarHBondContact O-CB 3.43Å; A413-Q417 PolarHBondContact O-N 3.22Å; F414-Q417 PolarHBondContact O-N 3.32Å; Q417-A420 PolarHBondContact O-N 2.96Å; Q417-K421 PolarHBondContact O-N 3.22Å; Q417-K421 VanDerWaalsContact O-N 3.09Å |
| 418 | V | 88.7 | Confident | 84.7 | Confident | 30 Ų | 30 | 80 Ų | 80 | 18% | 0.182 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 173.4 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | L372 M407 F414 Q416 A420 K421 L422 | L372-V418 HydrophobicContact CD1-CG1 4.41Å; M407-V418 HydrophobicContact CE-CG1 4.39Å; M407-V418 HydrophobicContact SD-CG1 3.93Å; F414-V418 HydrophobicContact CD1-CG2 4.34Å; F414-V418 HydrophobicContact CE1-CG2 3.89Å; F414-V418 HydrophobicContact CE2-CG2 4.09Å; F414-V418 HydrophobicContact CZ-CG2 3.75Å; F414-V418 WeakPolarHBondContact O-CG2 3.36Å; F414-V418 PolarHBondContact O-N 2.99Å; Q416-V418 VanDerWaalsContact C-N 3.29Å; Q416-V418 PolarHBondContact O-N 3.33Å; V418-A420 VanDerWaalsContact C-N 3.31Å; V418-A420 PolarHBondContact O-N 2.91Å; V418-K421 PolarHBondContact O-N 3.14Å; V418-L422 HydrophobicContact CG1-CD1 3.91Å; V418-L422 HydrophobicContact CG1-CG 4.24Å; V418-L422 WeakPolarHBondContact O-CB 3.45Å; V418-L422 VanDerWaalsContact O-CG 3.26Å; V418-L422 WeakPolarHBondContact O-CG 3.24Å; V418-L422 PolarHBondContact O-N 3.07Å |
| 419 | R | 90.5 | Very high | 85.6 | Confident | 74 Ų | 74 | 76.8 Ų | 76.8 | 28% | 0.279 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.8 | -39.7 | 173.7 | -72.1 | -162.8 | -166 | -106.5 | 8.9 | 112.8 | S403 N404 M407 T415 Q416 L422 R423 | S403-R419 PolarHBondContact O-NH1 3.1Å; N404-R419 PolarHBondContact O-NH1 3.06Å; M407-R419 HydrophobicContact CE-CG 3.3Å; T415-R419 WeakPolarHBondContact O-CG 3.44Å; T415-R419 PolarHBondContact O-N 3.17Å; Q416-R419 PolarHBondContact O-N 2.99Å; Q416-R419 VanDerWaalsContact O-N 3.17Å; R419-L422 PolarHBondContact O-N 3.36Å; R419-R423 WeakPolarHBondContact O-CG 3.49Å; R419-R423 PolarHBondContact O-N 3.43Å |
| 420 | A | 90.2 | Very high | 86.8 | Confident | 59 Ų | 59 | 73.5 Ų | 73.5 | 49% | 0.488 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q416 Q417 V418 L422 R423 E424 | Q416-A420 PolarHBondContact O-N 3.4Å; Q417-A420 PolarHBondContact O-N 2.96Å; V418-A420 VanDerWaalsContact C-N 3.31Å; V418-A420 PolarHBondContact O-N 2.91Å; A420-L422 VanDerWaalsContact C-N 3.35Å; A420-L422 PolarHBondContact O-N 3.08Å; A420-R423 PolarHBondContact O-N 3.34Å; A420-E424 PolarHBondContact O-N 2.88Å; A420-E424 VanDerWaalsContact O-N 3.08Å |
| 421 | K | 92.5 | Very high | 88 | Confident | 93 Ų | 93 | 75.8 Ų | 75.8 | 40% | 0.404 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.7 | -33 | 177.3 | -159.6 | 74.4 | -157.6 | 170.9 | 0 | 113 | L372 Q417 V418 E424 I425 | L372-K421 HydrophobicContact CD2-CB 4.23Å; L372-K421 HydrophobicContact CD2-CG 4.07Å; Q417-K421 PolarHBondContact O-N 3.22Å; Q417-K421 VanDerWaalsContact O-N 3.09Å; V418-K421 PolarHBondContact O-N 3.14Å; K421-E424 WeakPolarHBondContact CD-OE2 3.48Å; K421-E424 WeakPolarHBondContact CE-OE1 3.4Å; K421-E424 WeakPolarHBondContact CE-OE2 3.45Å; K421-E424 IonicContact NZ-OE1 3.06Å; K421-E424 PolarHBondContact NZ-OE1 3.31Å; K421-E424 IonicContact NZ-OE2 3.99Å; K421-E424 PolarHBondContact NZ-OE2 2.7Å; K421-I425 HydrophobicContact CG-CD1 4.27Å; K421-I425 WeakPolarHBondContact O-CG1 3.42Å; K421-I425 PolarHBondContact O-N 2.86Å |
| 422 | L | 93.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.7 | -47 | 171.3 | -72.9 | 168.8 | 0 | 0 | 0 | 111.1 | Q368 L371 L372 M407 V418 R419 A420 I425 E426 | Q368-L422 HydrophobicContact CB-CD1 4.28Å; Q368-L422 HydrophobicContact CB-CD2 3.95Å; Q368-L422 HydrophobicContact CG-CD1 3.85Å; Q368-L422 HydrophobicContact CG-CD2 4.08Å; L371-L422 HydrophobicContact CB-CD2 4.36Å; L371-L422 HydrophobicContact CD2-CB 4.34Å; L371-L422 HydrophobicContact CD2-CD2 3.62Å; L371-L422 WeakPolarHBondContact CD2-O 3.22Å; L372-L422 HydrophobicContact CD1-CD2 4.2Å; L372-L422 HydrophobicContact CD2-CD2 3.93Å; L372-L422 HydrophobicContact CD2-CG 4.27Å; L372-L422 HydrophobicContact CG-CD2 3.75Å; L372-L422 HydrophobicContact CG-CG 4.49Å; M407-L422 HydrophobicContact CE-CD1 4.47Å; M407-L422 HydrophobicContact SD-CD1 4.48Å; V418-L422 HydrophobicContact CG1-CD1 3.91Å; V418-L422 HydrophobicContact CG1-CG 4.24Å; V418-L422 WeakPolarHBondContact O-CB 3.45Å; V418-L422 VanDerWaalsContact O-CG 3.26Å; V418-L422 WeakPolarHBondContact O-CG 3.24Å; V418-L422 PolarHBondContact O-N 3.07Å; R419-L422 PolarHBondContact O-N 3.36Å; A420-L422 VanDerWaalsContact C-N 3.35Å; A420-L422 PolarHBondContact O-N 3.08Å; L422-I425 PolarHBondContact O-N 3.46Å; L422-E426 WeakPolarHBondContact O-CB 3.37Å; L422-E426 PolarHBondContact O-N 3.2Å |
| 423 | R | 93.4 | Very high | 89.9 | Confident | 146 Ų | 146 | 67.7 Ų | 67.7 | 55% | 0.551 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.9 | -43.1 | 177.8 | -72.3 | 177.4 | -175.6 | 175 | 0.2 | 112.9 | S403 R419 A420 I425 E426 Q427 | S403-R423 WeakPolarHBondContact OG-CG 3.45Å; R419-R423 WeakPolarHBondContact O-CG 3.49Å; R419-R423 PolarHBondContact O-N 3.43Å; A420-R423 PolarHBondContact O-N 3.34Å; R423-I425 VanDerWaalsContact C-N 3.33Å; R423-I425 PolarHBondContact O-N 3.38Å; R423-E426 PolarHBondContact O-N 3.47Å; R423-Q427 PolarHBondContact O-N 3.02Å |
| 424 | E | 93.8 | Very high | 90.1 | Very high | 86 Ų | 86 | 69.8 Ų | 69.8 | 40% | 0.402 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.7 | -46.2 | 177.6 | -172.1 | -161.2 | 129.3 | 0 | 0 | 111.6 | A420 K421 Q428 | A420-E424 PolarHBondContact O-N 2.88Å; A420-E424 VanDerWaalsContact O-N 3.08Å; K421-E424 WeakPolarHBondContact CD-OE2 3.48Å; K421-E424 WeakPolarHBondContact CE-OE1 3.4Å; K421-E424 WeakPolarHBondContact CE-OE2 3.45Å; K421-E424 IonicContact NZ-OE1 3.06Å; K421-E424 PolarHBondContact NZ-OE1 3.31Å; K421-E424 IonicContact NZ-OE2 3.99Å; K421-E424 PolarHBondContact NZ-OE2 2.7Å; E424-Q428 WeakPolarHBondContact O-CG 3.42Å; E424-Q428 PolarHBondContact O-N 3.22Å; E424-Q428 VanDerWaalsContact O-N 3.15Å; E424-Q428 PolarHBondContact OE1-NE2 2.88Å |
| 425 | I | 93.7 | Very high | 90.2 | Very high | 17 Ų | 17 | 65.1 Ų | 65.1 | 9% | 0.087 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -78.4 | -30.8 | -179.3 | -61.8 | 173.5 | 0 | 0 | 0 | 111.5 | L371 L372 P375 K421 L422 R423 Q427 Q428 I429 | L371-I425 HydrophobicContact CD2-CB 3.86Å; L371-I425 HydrophobicContact CD2-CG2 3.91Å; L371-I425 HydrophobicContact CG-CG2 4.17Å; L371-I425 WeakPolarHBondContact O-CG2 3.48Å; L372-I425 HydrophobicContact CD2-CD1 4.2Å; P375-I425 HydrophobicContact CB-CG2 3.77Å; P375-I425 HydrophobicContact CG-CG2 4.37Å; K421-I425 HydrophobicContact CG-CD1 4.27Å; K421-I425 WeakPolarHBondContact O-CG1 3.42Å; K421-I425 PolarHBondContact O-N 2.86Å; L422-I425 PolarHBondContact O-N 3.46Å; R423-I425 VanDerWaalsContact C-N 3.33Å; R423-I425 PolarHBondContact O-N 3.38Å; I425-Q427 VanDerWaalsContact C-N 3.32Å; I425-Q427 PolarHBondContact O-N 3.49Å; I425-Q428 PolarHBondContact O-N 3.25Å; I425-I429 HydrophobicContact CG2-CD1 3.88Å; I425-I429 HydrophobicContact CG2-CG1 4.35Å; I425-I429 WeakPolarHBondContact O-CB 3.3Å; I425-I429 WeakPolarHBondContact O-CD1 3.49Å; I425-I429 VanDerWaalsContact O-CG1 3.24Å; I425-I429 WeakPolarHBondContact O-CG1 3.43Å; I425-I429 PolarHBondContact O-N 2.95Å |
| 426 | E | 92.3 | Very high | 90.4 | Very high | 22 Ų | 22 | 63.7 Ų | 63.7 | 10% | 0.103 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 171.6 | -171.8 | -176.1 | 144.8 | 0 | 0 | 110.9 | L371 A401 S403 L422 R423 I429 K430 | L371-E426 HydrophobicContact CD1-CB 4.46Å; A401-E426 WeakPolarHBondContact CB-OE1 3.31Å; S403-E426 WeakPolarHBondContact CB-OE2 3.31Å; S403-E426 PolarHBondContact N-OE2 2.91Å; S403-E426 PolarHBondContact OG-OE2 3.01Å; L422-E426 WeakPolarHBondContact O-CB 3.37Å; L422-E426 PolarHBondContact O-N 3.2Å; R423-E426 PolarHBondContact O-N 3.47Å; E426-I429 PolarHBondContact O-N 2.78Å; E426-K430 PolarHBondContact O-N 3.5Å; E426-K430 VanDerWaalsContact O-N 3.08Å |
| 427 | Q | 92 | Very high | 90.2 | Very high | 95 Ų | 95 | 62.6 Ų | 62.6 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 174.7 | -178.4 | 59.1 | 22.8 | 0 | 0 | 112 | R423 I425 I429 K430 E431 | R423-Q427 PolarHBondContact O-N 3.02Å; I425-Q427 VanDerWaalsContact C-N 3.32Å; I425-Q427 PolarHBondContact O-N 3.49Å; Q427-I429 PolarHBondContact O-N 2.73Å; Q427-K430 WeakPolarHBondContact O-CB 3.24Å; Q427-K430 PolarHBondContact O-N 3.42Å; Q427-E431 VanDerWaalsContact CG-OE1 3.31Å; Q427-E431 WeakPolarHBondContact CG-OE1 3.42Å; Q427-E431 PolarHBondContact NE2-OE1 2.7Å; Q427-E431 WeakPolarHBondContact O-CG 3.23Å; Q427-E431 PolarHBondContact O-N 3.16Å |
| 428 | Q | 91.8 | Very high | 89.8 | Confident | 70 Ų | 70 | 58.5 Ų | 58.5 | 33% | 0.327 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.1 | -33.8 | 174.8 | -70.7 | 167.1 | 12.2 | 0 | 0 | 112.7 | E424 I425 R432 | E424-Q428 WeakPolarHBondContact O-CG 3.42Å; E424-Q428 PolarHBondContact O-N 3.22Å; E424-Q428 VanDerWaalsContact O-N 3.15Å; E424-Q428 PolarHBondContact OE1-NE2 2.88Å; I425-Q428 PolarHBondContact O-N 3.25Å; Q428-R432 VanDerWaalsContact O-CB 3.28Å; Q428-R432 WeakPolarHBondContact O-CB 3.46Å; Q428-R432 VanDerWaalsContact O-CD 3.28Å; Q428-R432 WeakPolarHBondContact O-CD 3.49Å; Q428-R432 WeakPolarHBondContact O-CG 3.3Å; Q428-R432 PolarHBondContact O-N 3.23Å |
| 429 | I | 93.5 | Very high | 89.6 | Confident | 6 Ų | 6 | 60.6 Ų | 60.6 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.4 | -37 | 175.4 | -72.1 | 161 | 0 | 0 | 0 | 111.2 | L371 P375 L378 L395 I425 E426 Q427 G433 | L371-I429 HydrophobicContact CD1-CD1 3.71Å; L371-I429 HydrophobicContact CG-CD1 3.73Å; P375-I429 HydrophobicContact CB-CD1 3.86Å; P375-I429 HydrophobicContact CB-CG1 3.94Å; L378-I429 HydrophobicContact CB-CD1 4.03Å; L378-I429 HydrophobicContact CB-CG2 4.14Å; L378-I429 HydrophobicContact CD1-CD1 4.04Å; L378-I429 WeakPolarHBondContact O-CG2 3.5Å; L395-I429 HydrophobicContact CD1-CG2 4.07Å; I425-I429 HydrophobicContact CG2-CD1 3.88Å; I425-I429 HydrophobicContact CG2-CG1 4.35Å; I425-I429 WeakPolarHBondContact O-CB 3.3Å; I425-I429 WeakPolarHBondContact O-CD1 3.49Å; I425-I429 VanDerWaalsContact O-CG1 3.24Å; I425-I429 WeakPolarHBondContact O-CG1 3.43Å; I425-I429 PolarHBondContact O-N 2.95Å; E426-I429 PolarHBondContact O-N 2.78Å; Q427-I429 PolarHBondContact O-N 2.73Å; I429-G433 WeakPolarHBondContact O-CA 3.42Å; I429-G433 PolarHBondContact O-N 2.95Å |
| 430 | K | 89.4 | Confident | 89.2 | Confident | 100 Ų | 100 | 57.5 Ų | 57.5 | 44% | 0.435 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.4 | -52.1 | 173.7 | -72.9 | -177.1 | 177.7 | -173.2 | 0 | 111.7 | E426 Q427 R432 G433 Q434 | E426-K430 PolarHBondContact O-N 3.5Å; E426-K430 VanDerWaalsContact O-N 3.08Å; Q427-K430 WeakPolarHBondContact O-CB 3.24Å; Q427-K430 PolarHBondContact O-N 3.42Å; K430-R432 PolarHBondContact O-N 3.35Å; K430-G433 WeakPolarHBondContact O-CA 3.42Å; K430-G433 PolarHBondContact O-N 3.23Å; K430-Q434 PolarHBondContact O-N 2.91Å |
| 431 | E | 88.2 | Confident | 88 | Confident | 101 Ų | 101 | 55.5 Ų | 55.5 | 47% | 0.472 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.8 | -46.6 | 179.7 | -70.1 | 163.2 | -179.3 | 0 | 0 | 111.5 | Q427 G433 A435 | Q427-E431 VanDerWaalsContact CG-OE1 3.31Å; Q427-E431 WeakPolarHBondContact CG-OE1 3.42Å; Q427-E431 PolarHBondContact NE2-OE1 2.7Å; Q427-E431 WeakPolarHBondContact O-CG 3.23Å; Q427-E431 PolarHBondContact O-N 3.16Å; E431-G433 VanDerWaalsContact C-N 3.35Å; E431-A435 WeakPolarHBondContact O-CB 3.46Å; E431-A435 PolarHBondContact O-N 3.39Å |
| 432 | R | 91.8 | Very high | 86.2 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 10% | 0.102 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 174 | -70.5 | 164.7 | 62.7 | -168.5 | -1.4 | 112 | S376 V379 Q428 K430 A435 V436 D1585 | S376-R432 PolarHBondContact OG-NH2 3.41Å; V379-R432 HydrophobicContact CG1-CB 4.11Å; V379-R432 HydrophobicContact CG2-CB 4.07Å; Q428-R432 VanDerWaalsContact O-CB 3.28Å; Q428-R432 WeakPolarHBondContact O-CB 3.46Å; Q428-R432 VanDerWaalsContact O-CD 3.28Å; Q428-R432 WeakPolarHBondContact O-CD 3.49Å; Q428-R432 WeakPolarHBondContact O-CG 3.3Å; Q428-R432 PolarHBondContact O-N 3.23Å; K430-R432 PolarHBondContact O-N 3.35Å; R432-A435 WeakPolarHBondContact O-CB 3.21Å; R432-A435 PolarHBondContact O-N 3.3Å; R432-V436 WeakPolarHBondContact O-CG2 3.4Å; R432-V436 PolarHBondContact O-N 3.38Å; R432-D1585 IonicContact CZ-OD1 3.76Å; R432-D1585 IonicContact CZ-OD2 3.76Å; R432-D1585 VanDerWaalsContact CZ-OD2 3.3Å; R432-D1585 IonicContact NE-OD1 3.38Å; R432-D1585 IonicContact NE-OD2 2.72Å; R432-D1585 PolarHBondContact NE-OD2 3.14Å; R432-D1585 VanDerWaalsContact NH2-CG 3.28Å; R432-D1585 IonicContact NH2-OD1 3.53Å; R432-D1585 PolarHBondContact NH2-OD1 2.87Å; R432-D1585 IonicContact NH2-OD2 2.66Å; R432-D1585 PolarHBondContact NH2-OD2 3.25Å |
| 433 | G | 89.8 | Confident | 84.2 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 6% | 0.062 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.6 | -52.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I429 K430 E431 A435 V436 E437 | I429-G433 WeakPolarHBondContact O-CA 3.42Å; I429-G433 PolarHBondContact O-N 2.95Å; K430-G433 WeakPolarHBondContact O-CA 3.42Å; K430-G433 PolarHBondContact O-N 3.23Å; E431-G433 VanDerWaalsContact C-N 3.35Å; G433-A435 VanDerWaalsContact C-N 3.27Å; G433-A435 PolarHBondContact O-N 2.88Å; G433-V436 PolarHBondContact O-N 3.49Å; G433-E437 PolarHBondContact O-N 3Å |
| 434 | Q | 85.4 | Confident | 81.9 | Confident | 103 Ų | 103 | 54.7 Ų | 54.7 | 48% | 0.481 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.6 | -42.3 | 173.2 | -178.1 | 180 | -6.9 | 0 | 0 | 110.8 | K430 V436 E437 V438 E447 | K430-Q434 PolarHBondContact O-N 2.91Å; Q434-V436 PolarHBondContact O-N 3.41Å; Q434-E437 WeakPolarHBondContact O-CB 3.48Å; Q434-E437 PolarHBondContact O-N 3Å; Q434-E437 VanDerWaalsContact O-N 3.13Å; Q434-V438 PolarHBondContact O-N 3.02Å; Q434-E447 PolarHBondContact NE2-OE1 3.43Å |
| 435 | A | 86 | Confident | 79.6 | Confident | 33 Ų | 33 | 51.4 Ų | 51.4 | 27% | 0.273 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.5 | -43.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E431 R432 G433 E437 R439 W440 | E431-A435 WeakPolarHBondContact O-CB 3.46Å; E431-A435 PolarHBondContact O-N 3.39Å; R432-A435 WeakPolarHBondContact O-CB 3.21Å; R432-A435 PolarHBondContact O-N 3.3Å; G433-A435 VanDerWaalsContact C-N 3.27Å; G433-A435 PolarHBondContact O-N 2.88Å; A435-E437 VanDerWaalsContact C-N 3.32Å; A435-E437 PolarHBondContact O-N 3.04Å; A435-R439 PolarHBondContact O-N 3.42Å; A435-W440 WeakPolarHBondContact O-CA 3.41Å; A435-W440 PolarHBondContact O-N 3.26Å |
| 436 | V | 88.3 | Confident | 77.3 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.5 | -33.4 | 174.3 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | V379 W380 Y382 R432 G433 Q434 R439 W440 D1585 V1589 | V379-V436 HydrophobicContact CG1-CG2 3.72Å; W380-V436 HydrophobicContact CE3-CB 4.21Å; W380-V436 HydrophobicContact CE3-CG1 3.99Å; W380-V436 HydrophobicContact CZ3-CG1 4.38Å; W380-V436 WeakPolarHBondContact O-CB 3.45Å; W380-V436 VanDerWaalsContact O-CG1 3.31Å; W380-V436 WeakPolarHBondContact O-CG1 3.12Å; Y382-V436 HydrophobicContact CD1-CG1 3.98Å; Y382-V436 HydrophobicContact CE1-CG1 4.04Å; R432-V436 WeakPolarHBondContact O-CG2 3.4Å; R432-V436 PolarHBondContact O-N 3.38Å; G433-V436 PolarHBondContact O-N 3.49Å; Q434-V436 PolarHBondContact O-N 3.41Å; V436-R439 VanDerWaalsContact O-CA 3.31Å; V436-R439 WeakPolarHBondContact O-CA 3.26Å; V436-R439 PolarHBondContact O-N 2.8Å; V436-W440 HydrophobicContact CB-CZ2 4.17Å; V436-W440 HydrophobicContact CG1-CH2 4.13Å; V436-W440 HydrophobicContact CG1-CZ2 3.9Å; V436-W440 HydrophobicContact CG2-CZ2 3.62Å; V436-D1585 HydrophobicContact CG2-CB 4.19Å; V436-V1589 HydrophobicContact CG1-CG2 3.77Å |
| 437 | E | 82.7 | Confident | 75 | Confident | 108 Ų | 108 | 60.6 Ų | 60.6 | 51% | 0.505 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.5 | -45.8 | 179.3 | -171.5 | 158.2 | -142.3 | 0 | 0 | 112.2 | W380 G433 Q434 A435 R439 | W380-E437 HydrophobicContact CD2-CB 4.17Å; W380-E437 HydrophobicContact CE3-CB 4.01Å; W380-E437 HydrophobicContact CH2-CB 4.06Å; W380-E437 HydrophobicContact CH2-CG 3.82Å; W380-E437 HydrophobicContact CZ2-CB 4.21Å; W380-E437 HydrophobicContact CZ2-CG 3.78Å; W380-E437 VanDerWaalsContact CZ2-OE1 3.3Å; W380-E437 WeakPolarHBondContact CZ2-OE1 3.35Å; W380-E437 HydrophobicContact CZ3-CB 3.93Å; W380-E437 HydrophobicContact CZ3-CG 4.23Å; G433-E437 PolarHBondContact O-N 3Å; Q434-E437 WeakPolarHBondContact O-CB 3.48Å; Q434-E437 PolarHBondContact O-N 3Å; Q434-E437 VanDerWaalsContact O-N 3.13Å; A435-E437 VanDerWaalsContact C-N 3.32Å; A435-E437 PolarHBondContact O-N 3.04Å; E437-R439 PolarHBondContact O-N 3.25Å |
| 438 | V | 78 | Confident | 73.1 | Confident | 52 Ų | 52 | 56.9 Ų | 56.9 | 32% | 0.315 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 13 | 167.5 | -52.8 | 0 | 0 | 0 | 0 | 113.3 | Q434 W440 S441 | Q434-V438 PolarHBondContact O-N 3.02Å; V438-W440 VanDerWaalsContact C-N 3.27Å; V438-W440 PolarHBondContact O-N 3.33Å; V438-S441 WeakPolarHBondContact O-CB 3.5Å; V438-S441 PolarHBondContact O-N 3.03Å; V438-S441 PolarHBondContact O-OG 3.15Å |
| 439 | R | 84.1 | Confident | 71.3 | Confident | 74 Ų | 74 | 58.3 Ų | 58.3 | 28% | 0.279 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 35 | 178.6 | -49.4 | 175.3 | 169.7 | -165.4 | -4.8 | 114.7 | Y382 A435 V436 E437 S441 G1542 D1546 | Y382-R439 HydrophobicContact CE1-CG 4.22Å; A435-R439 PolarHBondContact O-N 3.42Å; V436-R439 VanDerWaalsContact O-CA 3.31Å; V436-R439 WeakPolarHBondContact O-CA 3.26Å; V436-R439 PolarHBondContact O-N 2.8Å; E437-R439 PolarHBondContact O-N 3.25Å; R439-S441 PolarHBondContact O-N 2.89Å; R439-G1542 WeakPolarHBondContact CB-O 3.46Å; R439-G1542 CarbonylContact O-C 3.59Å; R439-G1542 WeakPolarHBondContact O-CA 3.24Å; R439-D1546 IonicContact CZ-OD1 2.93Å; R439-D1546 IonicContact NH1-OD1 3.25Å; R439-D1546 PolarHBondContact NH1-OD1 3.31Å; R439-D1546 IonicContact NH2-OD1 3.99Å |
| 440 | W | 83.7 | Confident | 69.9 | Low | 9 Ų | 9 | 58.8 Ų | 58.8 | 3% | 0.034 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 11.3 | -173.3 | -41.9 | -85.3 | 0 | 0 | 0 | 114.1 | A435 V436 V438 F442 N1539 F1545 T1582 D1585 M1586 V1589 | A435-W440 WeakPolarHBondContact O-CA 3.41Å; A435-W440 PolarHBondContact O-N 3.26Å; V436-W440 HydrophobicContact CB-CZ2 4.17Å; V436-W440 HydrophobicContact CG1-CH2 4.13Å; V436-W440 HydrophobicContact CG1-CZ2 3.9Å; V436-W440 HydrophobicContact CG2-CZ2 3.62Å; V438-W440 VanDerWaalsContact C-N 3.27Å; V438-W440 PolarHBondContact O-N 3.33Å; W440-F442 PolarHBondContact O-N 3.18Å; W440-N1539 VanDerWaalsContact O-CA 3.27Å; W440-N1539 WeakPolarHBondContact O-CA 3.31Å; W440-N1539 WeakPolarHBondContact O-CB 3.17Å; W440-N1539 PolarHBondContact O-OD1 2.81Å; W440-N1539 VanDerWaalsContact O-OD1 3.12Å; W440-F1545 HydrophobicContact CE3-CD2 4.3Å; W440-F1545 HydrophobicContact CE3-CE2 4.35Å; W440-F1545 HydrophobicContact CH2-CE1 4.16Å; W440-F1545 HydrophobicContact CH2-CE2 4.37Å; W440-F1545 HydrophobicContact CH2-CZ 4.01Å; W440-F1545 HydrophobicContact CZ3-CD1 4.01Å; W440-F1545 AromaticContact CZ3-CD2 3.8Å; W440-F1545 HydrophobicContact CZ3-CD2 3.8Å; W440-F1545 AromaticContact CZ3-CE1 3.91Å; W440-F1545 HydrophobicContact CZ3-CE1 3.91Å; W440-F1545 AromaticContact CZ3-CE2 3.7Å; W440-F1545 HydrophobicContact CZ3-CE2 3.7Å; W440-F1545 AromaticContact CZ3-CG 3.94Å; W440-F1545 HydrophobicContact CZ3-CG 3.94Å; W440-F1545 AromaticContact CZ3-CZ 3.73Å; W440-F1545 HydrophobicContact CZ3-CZ 3.73Å; W440-T1582 HydrophobicContact CB-CG2 4.4Å; W440-T1582 HydrophobicContact CG-CG2 4.19Å; W440-D1585 HydrophobicContact CZ2-CB 4.19Å; W440-M1586 HydrophobicContact CB-CE 4.07Å; W440-M1586 HydrophobicContact CD2-CE 3.84Å; W440-M1586 HydrophobicContact CD2-CG 3.68Å; W440-M1586 HydrophobicContact CE3-CE 3.49Å; W440-M1586 VanDerWaalsContact CE3-CE 3.49Å; W440-M1586 HydrophobicContact CE3-CG 3.6Å; W440-M1586 HydrophobicContact CE3-SD 4.45Å; W440-M1586 HydrophobicContact CG-CE 4.1Å; W440-M1586 HydrophobicContact CG-CG 4.44Å; W440-M1586 HydrophobicContact CH2-CB 4.28Å; W440-M1586 HydrophobicContact CH2-CG 3.79Å; W440-M1586 HydrophobicContact CZ2-CB 4.33Å; W440-M1586 HydrophobicContact CZ2-CG 3.81Å; W440-M1586 HydrophobicContact CZ3-CE 4.25Å; W440-M1586 HydrophobicContact CZ3-CG 3.68Å; W440-V1589 HydrophobicContact CH2-CB 3.93Å; W440-V1589 HydrophobicContact CH2-CG1 4.3Å; W440-V1589 HydrophobicContact CH2-CG2 3.82Å; W440-V1589 HydrophobicContact CZ2-CG2 4.09Å |
| 441 | S | 64.6 | Low | 68.8 | Low | 18 Ų | 18 | 54.6 Ų | 54.6 | 13% | 0.126 | 28% | 0.279 | C | S | . | . | trans | -61.7 | 139.2 | 165.9 | 72.1 | 0 | 0 | 0 | 0 | 107.8 | V438 R439 D443 | V438-S441 WeakPolarHBondContact O-CB 3.5Å; V438-S441 PolarHBondContact O-N 3.03Å; V438-S441 PolarHBondContact O-OG 3.15Å; R439-S441 PolarHBondContact O-N 2.89Å; S441-D443 PolarHBondContact O-N 3.19Å | ||
| 442 | F | 54.7 | Low | 67.8 | Low | 68 Ų | 68 | 53.7 Ų | 53.7 | 30% | 0.298 | 27% | 0.274 | S | S | . | . | trans | -81.2 | 71.5 | 174.4 | -119 | -121.5 | 0 | 0 | 0 | 108.2 | W440 K444 C445 L1483 N1539 | W440-F442 PolarHBondContact O-N 3.18Å; F442-K444 HydrophobicContact CD1-CB 4.24Å; F442-K444 HydrophobicContact CD1-CD 4.38Å; F442-K444 HydrophobicContact CD1-CG 4.45Å; F442-K444 HydrophobicContact CE1-CD 4.08Å; F442-K444 PolarHBondContact O-N 3.49Å; F442-C445 PolarHBondContact O-N 3.37Å; F442-L1483 HydrophobicContact CB-CD2 3.89Å; F442-N1539 HydrophobicContact CB-CB 4.48Å; F442-N1539 WeakPolarHBondContact CB-ND2 3.42Å; F442-N1539 WeakPolarHBondContact CD2-ND2 3.45Å; F442-N1539 WeakPolarHBondContact CG-ND2 3.46Å | ||
| 443 | D | 51 | Low | 67 | Low | 50 Ų | 50 | 52.6 Ų | 52.6 | 27% | 0.267 | 27% | 0.27 | S | S | . | . | trans | -73.2 | 18.2 | 177.1 | -136.5 | -19.6 | 0 | 0 | 0 | 112.9 | S441 C445 Q446 E447 | S441-D443 PolarHBondContact O-N 3.19Å; D443-C445 PolarHBondContact O-N 3.43Å; D443-Q446 CarbonylContact O-C 3.54Å; D443-Q446 WeakPolarHBondContact O-CA 3.41Å; D443-Q446 PolarHBondContact O-N 2.84Å; D443-Q446 PolarHBondContact OD1-N 2.87Å; D443-E447 PolarHBondContact O-N 3.29Å | ||
| 444 | K | 45.3 | Very low | 66.4 | Low | 103 Ų | 103 | 53.1 Ų | 53.1 | 45% | 0.448 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 27.2 | 142.3 | -62.8 | -165.1 | 174.7 | -167.4 | 0 | 113.9 | F442 E447 A448 Q1480 | F442-K444 HydrophobicContact CD1-CB 4.24Å; F442-K444 HydrophobicContact CD1-CD 4.38Å; F442-K444 HydrophobicContact CD1-CG 4.45Å; F442-K444 HydrophobicContact CE1-CD 4.08Å; F442-K444 PolarHBondContact O-N 3.49Å; K444-E447 HydrophobicContact CG-CB 4.17Å; K444-A448 WeakPolarHBondContact O-CB 3.35Å; K444-Q1480 PolarHBondContact O-NE2 2.86Å |
| 445 | C | 45 | Very low | 66.1 | Low | 17 Ų | 17 | 50.2 Ų | 50.2 | 12% | 0.115 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -35 | 152.3 | -173.2 | 0 | 0 | 0 | 0 | 110.7 | F442 D443 G451 S1484 | F442-C445 PolarHBondContact O-N 3.37Å; D443-C445 PolarHBondContact O-N 3.43Å; C445-G451 CarbonylContact O-C 3.58Å; C445-G451 VanDerWaalsContact O-CA 3.29Å; C445-G451 WeakPolarHBondContact O-CA 3.24Å; C445-S1484 WeakPolarHBondContact SG-CB 3.32Å; C445-S1484 PolarHBondContact SG-OG 3.38Å |
| 446 | Q | 46.5 | Very low | 65.9 | Low | 126 Ų | 126 | 50 Ų | 50 | 59% | 0.589 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -10.8 | 169.7 | -61 | -173 | 32.3 | 0 | 0 | 113.5 | D443 F452 | D443-Q446 CarbonylContact O-C 3.54Å; D443-Q446 WeakPolarHBondContact O-CA 3.41Å; D443-Q446 PolarHBondContact O-N 2.84Å; D443-Q446 PolarHBondContact OD1-N 2.87Å; Q446-F452 VanDerWaalsContact O-CB 3.29Å; Q446-F452 WeakPolarHBondContact O-CB 3.48Å; Q446-F452 VanDerWaalsContact O-CD2 3.28Å; Q446-F452 WeakPolarHBondContact O-CD2 3.22Å |
| 447 | E | 43.2 | Very low | 65.8 | Low | 107 Ų | 107 | 50.6 Ų | 50.6 | 50% | 0.5 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -104.8 | -6.1 | 170.7 | -59.8 | -179.6 | 155.1 | 0 | 0 | 112.9 | Q434 D443 K444 | Q434-E447 PolarHBondContact NE2-OE1 3.43Å; D443-E447 PolarHBondContact O-N 3.29Å; K444-E447 HydrophobicContact CG-CB 4.17Å |
| 448 | A | 51.4 | Low | 65.9 | Low | 17 Ų | 17 | 46.4 Ų | 46.4 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -79.8 | 123.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | K444 A450 G451 F452 | K444-A448 WeakPolarHBondContact O-CB 3.35Å; A448-A450 VanDerWaalsContact C-N 3.29Å; A448-A450 PolarHBondContact O-N 3.34Å; A448-A450 VanDerWaalsContact O-N 3.17Å; A448-G451 PolarHBondContact O-N 3.49Å; A448-F452 PolarHBondContact O-N 3.03Å |
| 449 | T | 55.7 | Low | 66.4 | Low | 100 Ų | 100 | 47.2 Ų | 47.2 | 61% | 0.613 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -45.6 | -52.6 | -173.8 | -43 | 0 | 0 | 0 | 0 | 111.8 | G451 F452 T453 | T449-G451 VanDerWaalsContact C-N 3.35Å; T449-G451 PolarHBondContact O-N 3.48Å; T449-F452 PolarHBondContact O-N 3.39Å; T449-T453 WeakPolarHBondContact O-CB 3.45Å; T449-T453 PolarHBondContact O-N 3.04Å; T449-T453 PolarHBondContact O-OG1 3.32Å |
| 450 | A | 64.1 | Low | 66.8 | Low | 16 Ų | 16 | 43.7 Ų | 43.7 | 13% | 0.132 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -53.5 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A448 I454 L1418 | A448-A450 VanDerWaalsContact C-N 3.29Å; A448-A450 PolarHBondContact O-N 3.34Å; A448-A450 VanDerWaalsContact O-N 3.17Å; A450-I454 VanDerWaalsContact O-CB 3.23Å; A450-I454 WeakPolarHBondContact O-CB 3.41Å; A450-I454 WeakPolarHBondContact O-CD1 3.47Å; A450-I454 WeakPolarHBondContact O-CG1 3.4Å; A450-I454 PolarHBondContact O-N 3.26Å; A450-L1418 HydrophobicContact CB-CD2 4.47Å |
| 451 | G | 64.9 | Low | 67.1 | Low | 11 Ų | 11 | 43.6 Ų | 43.6 | 11% | 0.113 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -73.4 | -36.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | C445 A448 T449 G455 | C445-G451 CarbonylContact O-C 3.58Å; C445-G451 VanDerWaalsContact O-CA 3.29Å; C445-G451 WeakPolarHBondContact O-CA 3.24Å; A448-G451 PolarHBondContact O-N 3.49Å; T449-G451 VanDerWaalsContact C-N 3.35Å; T449-G451 PolarHBondContact O-N 3.48Å; G451-G455 PolarHBondContact O-N 3.15Å; G451-G455 VanDerWaalsContact O-N 3.07Å |
| 452 | F | 67.9 | Low | 68.2 | Low | 83 Ų | 83 | 47 Ų | 47 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.6 | -51.3 | 171.6 | -169.5 | -108.3 | 0 | 0 | 0 | 111.2 | Q446 A448 T449 I454 G455 R456 D500 | Q446-F452 VanDerWaalsContact O-CB 3.29Å; Q446-F452 WeakPolarHBondContact O-CB 3.48Å; Q446-F452 VanDerWaalsContact O-CD2 3.28Å; Q446-F452 WeakPolarHBondContact O-CD2 3.22Å; A448-F452 PolarHBondContact O-N 3.03Å; T449-F452 PolarHBondContact O-N 3.39Å; F452-I454 VanDerWaalsContact C-N 3.35Å; F452-I454 PolarHBondContact O-N 3.2Å; F452-G455 CarbonylContact O-C 3.32Å; F452-G455 WeakPolarHBondContact O-CA 3.46Å; F452-G455 PolarHBondContact O-N 2.98Å; F452-R456 HydrophobicContact CD1-CG 3.99Å; F452-R456 HydrophobicContact CE1-CG 3.67Å; F452-R456 HydrophobicContact CZ-CG 4.06Å; F452-R456 WeakPolarHBondContact O-CG 3.33Å; F452-R456 PolarHBondContact O-N 3.08Å; F452-D500 WeakPolarHBondContact CD1-OD1 3.45Å; F452-D500 HydrophobicContact CE1-CB 4.41Å; F452-D500 VanDerWaalsContact CE1-OD2 3.31Å; F452-D500 WeakPolarHBondContact CE1-OD2 3.3Å |
| 453 | T | 74.1 | Confident | 69.9 | Low | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.7 | -37 | -177.5 | -51 | 0 | 0 | 0 | 0 | 111.2 | T449 G455 R456 V457 D500 A503 L1418 | T449-T453 WeakPolarHBondContact O-CB 3.45Å; T449-T453 PolarHBondContact O-N 3.04Å; T449-T453 PolarHBondContact O-OG1 3.32Å; T453-G455 VanDerWaalsContact C-N 3.34Å; T453-G455 PolarHBondContact O-N 3.12Å; T453-R456 PolarHBondContact O-N 3.02Å; T453-V457 HydrophobicContact CG2-CG2 4.4Å; T453-V457 VanDerWaalsContact O-CB 3.25Å; T453-V457 WeakPolarHBondContact O-CB 3.3Å; T453-V457 VanDerWaalsContact O-CG2 3.25Å; T453-V457 WeakPolarHBondContact O-CG2 3.5Å; T453-V457 PolarHBondContact O-N 3.28Å; T453-D500 PolarHBondContact OG1-OD1 3.02Å; T453-A503 HydrophobicContact CG2-CB 3.2Å; T453-L1418 HydrophobicContact CG2-CD1 3.63Å |
| 454 | I | 78.3 | Confident | 71.9 | Confident | 17 Ų | 17 | 41.9 Ų | 41.9 | 9% | 0.087 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61 | -41.5 | 169.4 | -73.6 | 165.1 | 0 | 0 | 0 | 111.2 | A450 F452 V457 L458 W1427 L1428 | A450-I454 VanDerWaalsContact O-CB 3.23Å; A450-I454 WeakPolarHBondContact O-CB 3.41Å; A450-I454 WeakPolarHBondContact O-CD1 3.47Å; A450-I454 WeakPolarHBondContact O-CG1 3.4Å; A450-I454 PolarHBondContact O-N 3.26Å; F452-I454 VanDerWaalsContact C-N 3.35Å; F452-I454 PolarHBondContact O-N 3.2Å; I454-V457 PolarHBondContact O-N 3.11Å; I454-L458 HydrophobicContact CG2-CD1 3.86Å; I454-L458 HydrophobicContact CG2-CG 4.29Å; I454-L458 WeakPolarHBondContact O-CB 3.48Å; I454-L458 VanDerWaalsContact O-CG 3.3Å; I454-L458 WeakPolarHBondContact O-CG 3.38Å; I454-L458 PolarHBondContact O-N 2.72Å; I454-W1427 HydrophobicContact CD1-CB 3.9Å; I454-W1427 HydrophobicContact CD1-CD2 4.34Å; I454-W1427 HydrophobicContact CD1-CG 4.01Å; I454-L1428 HydrophobicContact CG2-CD2 4Å |
| 455 | G | 78.7 | Confident | 73.8 | Confident | 41 Ų | 41 | 38 Ų | 38 | 42% | 0.423 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.3 | -46.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G451 F452 T453 H459 | G451-G455 PolarHBondContact O-N 3.15Å; G451-G455 VanDerWaalsContact O-N 3.07Å; F452-G455 CarbonylContact O-C 3.32Å; F452-G455 WeakPolarHBondContact O-CA 3.46Å; F452-G455 PolarHBondContact O-N 2.98Å; T453-G455 VanDerWaalsContact C-N 3.34Å; T453-G455 PolarHBondContact O-N 3.12Å; G455-H459 WeakPolarHBondContact O-CB 3.29Å; G455-H459 PolarHBondContact O-N 2.96Å |
| 456 | R | 81.7 | Confident | 75.7 | Confident | 30 Ų | 30 | 39.7 Ų | 39.7 | 11% | 0.113 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62 | -47.1 | 175 | -67.3 | -118 | 61.2 | -163.4 | -8.4 | 111.7 | F452 T453 H459 T460 I485 | F452-R456 HydrophobicContact CD1-CG 3.99Å; F452-R456 HydrophobicContact CE1-CG 3.67Å; F452-R456 HydrophobicContact CZ-CG 4.06Å; F452-R456 WeakPolarHBondContact O-CG 3.33Å; F452-R456 PolarHBondContact O-N 3.08Å; T453-R456 PolarHBondContact O-N 3.02Å; R456-H459 PolarHBondContact O-N 3.24Å; R456-T460 PolarHBondContact O-N 3.31Å; R456-T460 PolarHBondContact O-OG1 3.04Å; R456-T460 VanDerWaalsContact O-OG1 3.13Å; R456-I485 PolarHBondContact NH2-O 3.13Å |
| 457 | V | 86.1 | Confident | 77.8 | Confident | 11 Ų | 11 | 34.3 Ų | 34.3 | 7% | 0.067 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.6 | -49.9 | 178.4 | 156.1 | 0 | 0 | 0 | 0 | 111.6 | T453 I454 H459 T460 L461 L507 | T453-V457 HydrophobicContact CG2-CG2 4.4Å; T453-V457 VanDerWaalsContact O-CB 3.25Å; T453-V457 WeakPolarHBondContact O-CB 3.3Å; T453-V457 VanDerWaalsContact O-CG2 3.25Å; T453-V457 WeakPolarHBondContact O-CG2 3.5Å; T453-V457 PolarHBondContact O-N 3.28Å; I454-V457 PolarHBondContact O-N 3.11Å; V457-H459 VanDerWaalsContact C-N 3.33Å; V457-H459 PolarHBondContact O-N 3.21Å; V457-T460 PolarHBondContact O-N 3.48Å; V457-L461 HydrophobicContact CG1-CD1 4.38Å; V457-L461 WeakPolarHBondContact O-CB 3.37Å; V457-L461 PolarHBondContact O-N 3.48Å; V457-L507 HydrophobicContact CB-CD2 4.08Å; V457-L507 HydrophobicContact CG1-CD1 4.04Å; V457-L507 HydrophobicContact CG1-CD2 3.87Å; V457-L507 HydrophobicContact CG1-CG 4.47Å; V457-L507 HydrophobicContact CG2-CB 4.48Å; V457-L507 HydrophobicContact CG2-CD2 4.16Å; V457-L507 VanDerWaalsContact O-CD2 3.24Å; V457-L507 WeakPolarHBondContact O-CD2 3.2Å |
| 458 | L | 86 | Confident | 79.9 | Confident | 20 Ų | 20 | 30.7 Ų | 30.7 | 11% | 0.105 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.1 | -35 | 178.9 | -70.5 | 175.4 | 0 | 0 | 0 | 112.3 | I454 E462 Q1354 M1357 L1428 P1431 | I454-L458 HydrophobicContact CG2-CD1 3.86Å; I454-L458 HydrophobicContact CG2-CG 4.29Å; I454-L458 WeakPolarHBondContact O-CB 3.48Å; I454-L458 VanDerWaalsContact O-CG 3.3Å; I454-L458 WeakPolarHBondContact O-CG 3.38Å; I454-L458 PolarHBondContact O-N 2.72Å; L458-E462 WeakPolarHBondContact O-CB 3.5Å; L458-E462 PolarHBondContact O-N 3.21Å; L458-Q1354 HydrophobicContact CD2-CB 4.46Å; L458-M1357 HydrophobicContact CD2-CG 4.22Å; L458-L1428 HydrophobicContact CD1-CD2 3.85Å; L458-L1428 HydrophobicContact CD2-CD2 4.15Å; L458-L1428 HydrophobicContact CG-CD2 4.35Å; L458-P1431 HydrophobicContact CD1-CB 3.81Å; L458-P1431 HydrophobicContact CD1-CG 3.76Å |
| 459 | H | 88.1 | Confident | 81.6 | Confident | 70 Ų | 70 | 31 Ų | 31 | 32% | 0.324 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.4 | -45.5 | 174.6 | -174.7 | 57.5 | 0 | 0 | 0 | 111.9 | G455 R456 V457 L461 E462 V463 | G455-H459 WeakPolarHBondContact O-CB 3.29Å; G455-H459 PolarHBondContact O-N 2.96Å; R456-H459 PolarHBondContact O-N 3.24Å; V457-H459 VanDerWaalsContact C-N 3.33Å; V457-H459 PolarHBondContact O-N 3.21Å; H459-L461 VanDerWaalsContact C-N 3.34Å; H459-L461 PolarHBondContact O-N 3.41Å; H459-E462 PolarHBondContact O-N 2.88Å; H459-V463 WeakPolarHBondContact O-CB 3.27Å; H459-V463 WeakPolarHBondContact O-CG2 3.32Å; H459-V463 PolarHBondContact O-N 3.06Å |
| 460 | T | 91.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.7 | -44.4 | 175.2 | -63.3 | 0 | 0 | 0 | 0 | 111.3 | R456 V457 E462 V463 L464 I485 V504 L507 | R456-T460 PolarHBondContact O-N 3.31Å; R456-T460 PolarHBondContact O-OG1 3.04Å; R456-T460 VanDerWaalsContact O-OG1 3.13Å; V457-T460 PolarHBondContact O-N 3.48Å; T460-E462 PolarHBondContact O-N 3.27Å; T460-V463 PolarHBondContact O-N 3.28Å; T460-L464 HydrophobicContact CG2-CD1 4Å; T460-L464 VanDerWaalsContact O-CG 3.31Å; T460-L464 WeakPolarHBondContact O-CG 3.37Å; T460-L464 PolarHBondContact O-N 3.28Å; T460-I485 HydrophobicContact CG2-CD1 4.22Å; T460-I485 HydrophobicContact CG2-CG1 4.18Å; T460-I485 HydrophobicContact CG2-CG2 4.03Å; T460-V504 HydrophobicContact CG2-CG1 4.27Å; T460-L507 HydrophobicContact CG2-CD2 3.84Å |
| 461 | L | 90.4 | Very high | 84.2 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.4 | -46.3 | 173.9 | -98.7 | 162.3 | 0 | 0 | 0 | 112.6 | V457 H459 L464 D465 L507 Q1354 W1355 | V457-L461 HydrophobicContact CG1-CD1 4.38Å; V457-L461 WeakPolarHBondContact O-CB 3.37Å; V457-L461 PolarHBondContact O-N 3.48Å; H459-L461 VanDerWaalsContact C-N 3.34Å; H459-L461 PolarHBondContact O-N 3.41Å; L461-L464 PolarHBondContact O-N 3.03Å; L461-D465 VanDerWaalsContact O-CB 3.23Å; L461-D465 WeakPolarHBondContact O-CB 3.36Å; L461-D465 PolarHBondContact O-N 3.41Å; L461-L507 HydrophobicContact CD1-CD1 3.86Å; L461-L507 HydrophobicContact CD1-CD2 4.48Å; L461-L507 HydrophobicContact CG-CD1 4.07Å; L461-L507 HydrophobicContact CG-CD2 4.18Å; L461-Q1354 HydrophobicContact CD1-CB 3.71Å; L461-Q1354 HydrophobicContact CD1-CG 3.87Å; L461-W1355 HydrophobicContact CD2-CE3 4.07Å; L461-W1355 HydrophobicContact CD2-CH2 4.46Å; L461-W1355 HydrophobicContact CD2-CZ3 3.71Å |
| 462 | E | 87.7 | Confident | 85.3 | Confident | 90 Ų | 90 | 35 Ų | 35 | 42% | 0.421 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66 | -35.9 | 178.2 | 175.2 | 158.4 | -133.2 | 0 | 0 | 113 | L458 H459 T460 S466 K1435 | L458-E462 WeakPolarHBondContact O-CB 3.5Å; L458-E462 PolarHBondContact O-N 3.21Å; H459-E462 PolarHBondContact O-N 2.88Å; T460-E462 PolarHBondContact O-N 3.27Å; E462-S466 WeakPolarHBondContact O-CB 3.19Å; E462-S466 PolarHBondContact O-N 3.37Å; E462-S466 VanDerWaalsContact O-N 3.13Å; E462-S466 PolarHBondContact O-OG 3.1Å; E462-K1435 IonicContact OE1-NZ 2.77Å; E462-K1435 PolarHBondContact OE1-NZ 3.39Å; E462-K1435 IonicContact OE2-NZ 3.44Å; E462-K1435 PolarHBondContact OE2-NZ 2.94Å |
| 463 | V | 91.1 | Very high | 86.2 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.7 | -38.9 | 174 | 164.2 | 0 | 0 | 0 | 0 | 111.5 | H459 T460 S466 H467 L481 R484 I485 | H459-V463 WeakPolarHBondContact O-CB 3.27Å; H459-V463 WeakPolarHBondContact O-CG2 3.32Å; H459-V463 PolarHBondContact O-N 3.06Å; T460-V463 PolarHBondContact O-N 3.28Å; V463-S466 PolarHBondContact O-OG 3.31Å; V463-H467 WeakPolarHBondContact O-CB 3.3Å; V463-H467 PolarHBondContact O-N 3.25Å; V463-L481 HydrophobicContact CG1-CD1 3.54Å; V463-R484 HydrophobicContact CG1-CB 3.72Å; V463-R484 HydrophobicContact CG2-CB 4.14Å; V463-I485 HydrophobicContact CG1-CD1 4.46Å; V463-I485 HydrophobicContact CG1-CG1 3.92Å |
| 464 | L | 92 | Very high | 86.6 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70.5 | -46.2 | 174.2 | -68.8 | 163.9 | 0 | 0 | 0 | 112.1 | T460 L461 S466 H467 F469 L481 I485 L508 W511 | T460-L464 HydrophobicContact CG2-CD1 4Å; T460-L464 VanDerWaalsContact O-CG 3.31Å; T460-L464 WeakPolarHBondContact O-CG 3.37Å; T460-L464 PolarHBondContact O-N 3.28Å; L461-L464 PolarHBondContact O-N 3.03Å; L464-S466 PolarHBondContact O-N 3.05Å; L464-H467 PolarHBondContact O-N 2.83Å; L464-F469 HydrophobicContact CD2-CZ 4.41Å; L464-L481 HydrophobicContact CD2-CD1 4.3Å; L464-L481 HydrophobicContact CD2-CD2 4.37Å; L464-I485 HydrophobicContact CD2-CD1 4.22Å; L464-I485 HydrophobicContact CG-CD1 4.42Å; L464-L508 HydrophobicContact CD1-CD2 3.95Å; L464-L508 HydrophobicContact CD2-CD2 4.4Å; L464-W511 HydrophobicContact CB-CZ2 4.13Å; L464-W511 HydrophobicContact CD1-CD2 4.01Å; L464-W511 HydrophobicContact CD1-CG 4.05Å; L464-W511 HydrophobicContact CD2-CH2 4.08Å; L464-W511 HydrophobicContact CD2-CZ2 4.11Å; L464-W511 HydrophobicContact CD2-CZ3 4.3Å |
| 465 | D | 86.9 | Confident | 86.7 | Confident | 20 Ų | 20 | 45.6 Ų | 45.6 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.9 | -19.6 | -177.6 | -92.6 | 11.7 | 0 | 0 | 0 | 114.1 | L461 R517 R1358 | L461-D465 VanDerWaalsContact O-CB 3.23Å; L461-D465 WeakPolarHBondContact O-CB 3.36Å; L461-D465 PolarHBondContact O-N 3.41Å; D465-R517 IonicContact OD1-CZ 3.26Å; D465-R517 IonicContact OD1-NE 2.98Å; D465-R517 PolarHBondContact OD1-NE 3.27Å; D465-R517 IonicContact OD1-NH2 3.41Å; D465-R517 IonicContact OD2-CZ 3.16Å; D465-R517 IonicContact OD2-NE 2.77Å; D465-R517 PolarHBondContact OD2-NE 3.26Å; D465-R517 IonicContact OD2-NH2 4Å; D465-R517 PolarHBondContact OD2-NH2 2.77Å; D465-R1358 PolarHBondContact O-NH1 3.05Å; D465-R1358 VanDerWaalsContact O-NH1 3.07Å; D465-R1358 PolarHBondContact O-NH2 2.94Å; D465-R1358 IonicContact OD1-NH1 3.59Å; D465-R1358 WeakPolarHBondContact OD2-CD 3.2Å; D465-R1358 IonicContact OD2-CZ 3.69Å; D465-R1358 IonicContact OD2-NH1 3.35Å; D465-R1358 PolarHBondContact OD2-NH1 2.9Å |
| 466 | S | 84.3 | Confident | 87.1 | Confident | 53 Ų | 53 | 45.1 Ų | 45.1 | 37% | 0.371 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -97.2 | -25.1 | 174.6 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | E462 V463 L464 K1299 | E462-S466 WeakPolarHBondContact O-CB 3.19Å; E462-S466 PolarHBondContact O-N 3.37Å; E462-S466 VanDerWaalsContact O-N 3.13Å; E462-S466 PolarHBondContact O-OG 3.1Å; V463-S466 PolarHBondContact O-OG 3.31Å; L464-S466 PolarHBondContact O-N 3.05Å; S466-K1299 WeakPolarHBondContact O-CE 3.44Å; S466-K1299 PolarHBondContact O-NZ 3.45Å |
| 467 | H | 89.6 | Confident | 87.5 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 6% | 0.06 | 22% | 0.223 | C | C | . | . | trans | -59 | 142.4 | 178.9 | -165.7 | -89.6 | 0 | 0 | 0 | 112.1 | V463 L464 F469 N476 L481 K1299 | V463-H467 WeakPolarHBondContact O-CB 3.3Å; V463-H467 PolarHBondContact O-N 3.25Å; L464-H467 PolarHBondContact O-N 2.83Å; H467-F469 HydrophobicContact CB-CE1 4.43Å; H467-F469 HydrophobicContact CB-CE2 3.89Å; H467-F469 HydrophobicContact CB-CZ 3.81Å; H467-F469 AromaticContact CE1-CD1 3.89Å; H467-F469 AromaticContact CE1-CE1 3.84Å; H467-F469 AromaticContact CG-CE1 3.95Å; H467-F469 AromaticContact CG-CZ 3.83Å; H467-F469 AromaticContact ND1-CD1 3.35Å; H467-F469 VanDerWaalsContact ND1-CD1 3.35Å; H467-F469 WeakPolarHBondContact ND1-CD1 3.43Å; H467-F469 AromaticContact ND1-CE1 3.18Å; H467-F469 WeakPolarHBondContact ND1-CE1 3.31Å; H467-F469 AromaticContact ND1-CE2 3.87Å; H467-F469 AromaticContact ND1-CG 3.76Å; H467-F469 AromaticContact ND1-CZ 3.46Å; H467-F469 WeakPolarHBondContact ND1-CZ 3.41Å; H467-N476 VanDerWaalsContact NE2-C 3.3Å; H467-N476 WeakPolarHBondContact NE2-CA 3.44Å; H467-N476 PolarHBondContact NE2-O 3Å; H467-L481 HydrophobicContact CB-CD1 4.33Å; H467-K1299 PolarHBondContact O-NZ 3.29Å | ||
| 468 | S | 87.5 | Confident | 87.6 | Confident | 32 Ų | 32 | 45.8 Ų | 45.8 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | trans | -103.8 | 90.9 | 179.5 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | E470 R471 N476 | S468-E470 PolarHBondContact O-N 2.8Å; S468-R471 PolarHBondContact O-N 3.2Å; S468-R471 VanDerWaalsContact O-N 3.15Å; S468-N476 PolarHBondContact N-OD1 2.8Å; S468-N476 VanDerWaalsContact N-OD1 3.16Å | ||
| 469 | F | 88.5 | Confident | 87.7 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 10% | 0.096 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 2.3 | 180 | -59.2 | -76 | 0 | 0 | 0 | 115.3 | L464 H467 L481 W511 H521 V525 A936 I939 | L464-F469 HydrophobicContact CD2-CZ 4.41Å; H467-F469 HydrophobicContact CB-CE1 4.43Å; H467-F469 HydrophobicContact CB-CE2 3.89Å; H467-F469 HydrophobicContact CB-CZ 3.81Å; H467-F469 AromaticContact CE1-CD1 3.89Å; H467-F469 AromaticContact CE1-CE1 3.84Å; H467-F469 AromaticContact CG-CE1 3.95Å; H467-F469 AromaticContact CG-CZ 3.83Å; H467-F469 AromaticContact ND1-CD1 3.35Å; H467-F469 VanDerWaalsContact ND1-CD1 3.35Å; H467-F469 WeakPolarHBondContact ND1-CD1 3.43Å; H467-F469 AromaticContact ND1-CE1 3.18Å; H467-F469 WeakPolarHBondContact ND1-CE1 3.31Å; H467-F469 AromaticContact ND1-CE2 3.87Å; H467-F469 AromaticContact ND1-CG 3.76Å; H467-F469 AromaticContact ND1-CZ 3.46Å; H467-F469 WeakPolarHBondContact ND1-CZ 3.41Å; F469-L481 HydrophobicContact CE1-CD2 3.86Å; F469-L481 HydrophobicContact CZ-CD2 4.04Å; F469-W511 HydrophobicContact CE2-CH2 4.03Å; F469-W511 HydrophobicContact CE2-CZ2 4.13Å; F469-W511 AromaticContact CZ-CH2 3.94Å; F469-W511 HydrophobicContact CZ-CH2 3.94Å; F469-W511 HydrophobicContact CZ-CZ2 4.36Å; F469-H521 AromaticContact CD2-NE2 3.45Å; F469-H521 WeakPolarHBondContact CD2-NE2 3.47Å; F469-H521 AromaticContact CG-CD2 3.64Å; F469-H521 AromaticContact CG-NE2 3.54Å; F469-V525 HydrophobicContact CD1-CG2 3.73Å; F469-V525 HydrophobicContact CE1-CB 4.35Å; F469-V525 HydrophobicContact CE1-CG1 3.84Å; F469-V525 HydrophobicContact CE1-CG2 3.55Å; F469-V525 HydrophobicContact CZ-CG1 4.24Å; F469-V525 HydrophobicContact CZ-CG2 4.43Å; F469-A936 HydrophobicContact CB-CB 4.48Å; F469-A936 WeakPolarHBondContact O-CA 3.27Å; F469-A936 WeakPolarHBondContact O-CB 3.27Å; F469-I939 VanDerWaalsContact O-CG2 3.32Å; F469-I939 WeakPolarHBondContact O-CG2 3.41Å |
| 470 | E | 85.9 | Confident | 87.8 | Confident | 51 Ų | 51 | 45.7 Ų | 45.7 | 24% | 0.238 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -8.6 | 170.1 | -74.3 | -164.4 | -164.7 | 0 | 0 | 114.7 | S468 H935 S982 R1215 | S468-E470 PolarHBondContact O-N 2.8Å; E470-H935 PolarHBondContact O-NE2 2.89Å; E470-S982 VanDerWaalsContact O-CB 3.29Å; E470-S982 WeakPolarHBondContact O-CB 3.38Å; E470-S982 PolarHBondContact O-OG 2.92Å; E470-R1215 IonicContact OE2-CZ 2.71Å; E470-R1215 IonicContact OE2-NH1 3.46Å; E470-R1215 PolarHBondContact OE2-NH1 3.42Å |
| 471 | R | 87.8 | Confident | 87.9 | Confident | 153 Ų | 153 | 45.7 Ų | 45.7 | 58% | 0.577 | 23% | 0.233 | S | C | * | . | trans | -137.6 | 150.3 | -175.9 | -63.8 | -171.9 | 179.4 | 161.2 | 5.5 | 110.7 | S468 I939 S982 | S468-R471 PolarHBondContact O-N 3.2Å; S468-R471 VanDerWaalsContact O-N 3.15Å; R471-I939 VanDerWaalsContact C-CD1 3.49Å; R471-S982 CarbonylContact C-O 3.57Å; R471-S982 VanDerWaalsContact CA-O 3.3Å; R471-S982 WeakPolarHBondContact CA-O 3.32Å | ||
| 472 | S | 88.3 | Confident | 87.9 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 6% | 0.063 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -128.6 | 117.7 | 176.1 | 178.7 | 0 | 0 | 0 | 0 | 108.5 | S982 S984 | S472-S982 PolarHBondContact N-O 2.85Å; S472-S984 PolarHBondContact O-N 3.39Å; S472-S984 PolarHBondContact O-OG 3.49Å |
| 473 | D | 87 | Confident | 88 | Confident | 51 Ų | 51 | 45.8 Ų | 45.8 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -148.1 | 178.3 | 176.8 | 66.5 | 62.6 | 0 | 0 | 0 | 108.7 | S475 N476 S477 | D473-S475 PolarHBondContact O-N 2.89Å; D473-S475 VanDerWaalsContact OD1-CA 3.31Å; D473-S475 WeakPolarHBondContact OD1-CA 3.25Å; D473-S475 WeakPolarHBondContact OD1-CB 3.35Å; D473-S475 PolarHBondContact OD1-N 3.34Å; D473-S475 PolarHBondContact OD1-OG 2.89Å; D473-N476 CarbonylContact O-C 3.37Å; D473-N476 PolarHBondContact O-N 2.78Å; D473-N476 PolarHBondContact OD1-N 2.93Å; D473-N476 PolarHBondContact OD1-ND2 2.71Å; D473-N476 PolarHBondContact OD2-ND2 2.73Å; D473-S477 WeakPolarHBondContact O-CB 3.47Å; D473-S477 PolarHBondContact O-N 3.1Å |
| 474 | F | 81.5 | Confident | 88 | Confident | 202 Ų | 202 | 49.1 Ų | 49.1 | 89% | 0.886 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16.7 | -176.1 | -160.9 | -91.9 | 0 | 0 | 0 | 114.5 | ||
| 475 | S | 81.6 | Confident | 88 | Confident | 72 Ų | 72 | 48.9 Ų | 48.9 | 50% | 0.503 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | -9.4 | 176 | 65.8 | 0 | 0 | 0 | 0 | 114.5 | D473 S480 R484 | D473-S475 PolarHBondContact O-N 2.89Å; D473-S475 VanDerWaalsContact OD1-CA 3.31Å; D473-S475 WeakPolarHBondContact OD1-CA 3.25Å; D473-S475 WeakPolarHBondContact OD1-CB 3.35Å; D473-S475 PolarHBondContact OD1-N 3.34Å; D473-S475 PolarHBondContact OD1-OG 2.89Å; S475-S480 PolarHBondContact O-OG 3Å; S475-R484 PolarHBondContact O-NH2 3.13Å |
| 476 | N | 87 | Confident | 88.1 | Confident | 31 Ų | 31 | 48.5 Ų | 48.5 | 17% | 0.166 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -127.4 | 35.5 | 177.2 | -65.6 | -76 | 0 | 0 | 0 | 111.8 | H467 S468 D473 | H467-N476 VanDerWaalsContact NE2-C 3.3Å; H467-N476 WeakPolarHBondContact NE2-CA 3.44Å; H467-N476 PolarHBondContact NE2-O 3Å; S468-N476 PolarHBondContact N-OD1 2.8Å; S468-N476 VanDerWaalsContact N-OD1 3.16Å; D473-N476 CarbonylContact O-C 3.37Å; D473-N476 PolarHBondContact O-N 2.78Å; D473-N476 PolarHBondContact OD1-N 2.93Å; D473-N476 PolarHBondContact OD1-ND2 2.71Å; D473-N476 PolarHBondContact OD2-ND2 2.73Å |
| 477 | S | 89.4 | Confident | 87.6 | Confident | 16 Ų | 16 | 48.5 Ų | 48.5 | 11% | 0.112 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -95.7 | 154.8 | 171.7 | 71.4 | 0 | 0 | 0 | 0 | 111.2 | D473 D479 S480 L481 | D473-S477 WeakPolarHBondContact O-CB 3.47Å; D473-S477 PolarHBondContact O-N 3.1Å; S477-D479 PolarHBondContact O-N 2.89Å; S477-S480 PolarHBondContact N-OG 3.18Å; S477-S480 VanDerWaalsContact N-OG 3.14Å; S477-S480 WeakPolarHBondContact O-CA 3.31Å; S477-S480 WeakPolarHBondContact O-CB 3.15Å; S477-S480 PolarHBondContact O-N 2.86Å; S477-S480 PolarHBondContact O-OG 3.44Å; S477-S480 WeakPolarHBondContact OG-CB 3.43Å; S477-S480 PolarHBondContact OG-N 2.91Å; S477-L481 PolarHBondContact O-N 3.1Å |
| 478 | L | 88.9 | Confident | 86 | Confident | 39 Ų | 39 | 53 Ų | 53 | 20% | 0.204 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.9 | -34.2 | 172.5 | -169.2 | 73.7 | 0 | 0 | 0 | 111.7 | L481 C482 K528 L529 | L478-L481 HydrophobicContact CD1-CD2 4.5Å; L478-L481 WeakPolarHBondContact O-CB 3.33Å; L478-L481 PolarHBondContact O-N 3.19Å; L478-C482 WeakPolarHBondContact O-CB 3.4Å; L478-C482 PolarHBondContact O-N 3.26Å; L478-K528 HydrophobicContact CD2-CB 3.73Å; L478-L529 HydrophobicContact CD1-CD2 3.87Å; L478-L529 HydrophobicContact CD1-CG 3.95Å; L478-L529 HydrophobicContact CG-CD2 4.33Å |
| 479 | D | 88.3 | Confident | 84.1 | Confident | 70 Ų | 70 | 53.9 Ų | 53.9 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 173.4 | -53.3 | -74.4 | 0 | 0 | 0 | 112.5 | S477 L481 C482 N483 K532 | S477-D479 PolarHBondContact O-N 2.89Å; D479-L481 PolarHBondContact O-N 3.26Å; D479-C482 PolarHBondContact O-N 2.87Å; D479-N483 VanDerWaalsContact O-CB 3.28Å; D479-N483 WeakPolarHBondContact O-CB 3.34Å; D479-N483 PolarHBondContact O-N 2.89Å; D479-N483 PolarHBondContact O-ND2 3.2Å; D479-K532 IonicContact OD1-NZ 2.71Å; D479-K532 PolarHBondContact OD1-NZ 3.25Å |
| 480 | S | 90.1 | Very high | 81.8 | Confident | 18 Ų | 18 | 59 Ų | 59 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.4 | -27.4 | 175.7 | 81.6 | 0 | 0 | 0 | 0 | 112 | S475 S477 R484 | S475-S480 PolarHBondContact O-OG 3Å; S477-S480 PolarHBondContact N-OG 3.18Å; S477-S480 VanDerWaalsContact N-OG 3.14Å; S477-S480 WeakPolarHBondContact O-CA 3.31Å; S477-S480 WeakPolarHBondContact O-CB 3.15Å; S477-S480 PolarHBondContact O-N 2.86Å; S477-S480 PolarHBondContact O-OG 3.44Å; S477-S480 WeakPolarHBondContact OG-CB 3.43Å; S477-S480 PolarHBondContact OG-N 2.91Å; S480-R484 WeakPolarHBondContact O-CB 3.48Å; S480-R484 WeakPolarHBondContact O-CG 3.34Å; S480-R484 PolarHBondContact O-N 3.44Å; S480-R484 PolarHBondContact O-NE 3.14Å; S480-R484 PolarHBondContact OG-NH2 2.92Å |
| 481 | L | 91.9 | Very high | 79.6 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -77.3 | -50.5 | 177.6 | -174 | 58.2 | 0 | 0 | 0 | 110.6 | V463 L464 H467 F469 S477 L478 D479 N483 R484 I485 V525 L529 | V463-L481 HydrophobicContact CG1-CD1 3.54Å; L464-L481 HydrophobicContact CD2-CD1 4.3Å; L464-L481 HydrophobicContact CD2-CD2 4.37Å; H467-L481 HydrophobicContact CB-CD1 4.33Å; F469-L481 HydrophobicContact CE1-CD2 3.86Å; F469-L481 HydrophobicContact CZ-CD2 4.04Å; S477-L481 PolarHBondContact O-N 3.1Å; L478-L481 HydrophobicContact CD1-CD2 4.5Å; L478-L481 WeakPolarHBondContact O-CB 3.33Å; L478-L481 PolarHBondContact O-N 3.19Å; D479-L481 PolarHBondContact O-N 3.26Å; L481-N483 VanDerWaalsContact C-N 3.34Å; L481-N483 PolarHBondContact O-N 3.05Å; L481-R484 PolarHBondContact O-N 3.13Å; L481-R484 VanDerWaalsContact O-N 3.14Å; L481-I485 HydrophobicContact CD1-CD1 3.87Å; L481-I485 HydrophobicContact CD1-CG1 4.43Å; L481-I485 HydrophobicContact CG-CD1 3.99Å; L481-I485 WeakPolarHBondContact O-CG1 3.19Å; L481-I485 PolarHBondContact O-N 3.26Å; L481-V525 HydrophobicContact CD2-CG1 4.05Å; L481-L529 HydrophobicContact CB-CD2 4.42Å; L481-L529 HydrophobicContact CD2-CD1 4.08Å; L481-L529 HydrophobicContact CD2-CD2 4.4Å; L481-L529 HydrophobicContact CG-CD1 4.28Å; L481-L529 HydrophobicContact CG-CD2 4.17Å |
| 482 | C | 91.5 | Very high | 77.3 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -54.9 | -48.6 | 174 | -162 | 0 | 0 | 0 | 0 | 111.3 | L478 D479 R484 I485 F486 L529 K532 | L478-C482 WeakPolarHBondContact O-CB 3.4Å; L478-C482 PolarHBondContact O-N 3.26Å; D479-C482 PolarHBondContact O-N 2.87Å; C482-R484 VanDerWaalsContact C-N 3.29Å; C482-R484 PolarHBondContact O-N 3.45Å; C482-I485 PolarHBondContact O-N 3.44Å; C482-I485 VanDerWaalsContact O-N 3.17Å; C482-F486 PolarHBondContact O-N 3.05Å; C482-L529 HydrophobicContact CB-CD2 3.88Å; C482-K532 HydrophobicContact CB-CD 4.2Å |
| 483 | N | 89.5 | Confident | 74.9 | Confident | 98 Ų | 98 | 68.1 Ų | 68.1 | 52% | 0.524 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.9 | -27.6 | 179.8 | -69.1 | -10.5 | 0 | 0 | 0 | 113.6 | D479 L481 G487 | D479-N483 VanDerWaalsContact O-CB 3.28Å; D479-N483 WeakPolarHBondContact O-CB 3.34Å; D479-N483 PolarHBondContact O-N 2.89Å; D479-N483 PolarHBondContact O-ND2 3.2Å; L481-N483 VanDerWaalsContact C-N 3.34Å; L481-N483 PolarHBondContact O-N 3.05Å; N483-G487 VanDerWaalsContact O-CA 3.25Å; N483-G487 WeakPolarHBondContact O-CA 3.33Å; N483-G487 PolarHBondContact O-N 3.32Å |
| 484 | R | 91.1 | Very high | 72.6 | Confident | 77 Ų | 77 | 68.1 Ų | 68.1 | 29% | 0.291 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -79 | -35.9 | 173.6 | -82.1 | 178.3 | -77.3 | -177.6 | -15 | 112.5 | V463 S475 S480 L481 C482 | V463-R484 HydrophobicContact CG1-CB 3.72Å; V463-R484 HydrophobicContact CG2-CB 4.14Å; S475-R484 PolarHBondContact O-NH2 3.13Å; S480-R484 WeakPolarHBondContact O-CB 3.48Å; S480-R484 WeakPolarHBondContact O-CG 3.34Å; S480-R484 PolarHBondContact O-N 3.44Å; S480-R484 PolarHBondContact O-NE 3.14Å; S480-R484 PolarHBondContact OG-NH2 2.92Å; L481-R484 PolarHBondContact O-N 3.13Å; L481-R484 VanDerWaalsContact O-N 3.14Å; C482-R484 VanDerWaalsContact C-N 3.29Å; C482-R484 PolarHBondContact O-N 3.45Å |
| 485 | I | 91.2 | Very high | 70.7 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -78.4 | -51.9 | -178.2 | -65.5 | 173.7 | 0 | 0 | 0 | 110.7 | R456 T460 V463 L464 L481 C482 V504 L529 | R456-I485 PolarHBondContact NH2-O 3.13Å; T460-I485 HydrophobicContact CG2-CD1 4.22Å; T460-I485 HydrophobicContact CG2-CG1 4.18Å; T460-I485 HydrophobicContact CG2-CG2 4.03Å; V463-I485 HydrophobicContact CG1-CD1 4.46Å; V463-I485 HydrophobicContact CG1-CG1 3.92Å; L464-I485 HydrophobicContact CD2-CD1 4.22Å; L464-I485 HydrophobicContact CG-CD1 4.42Å; L481-I485 HydrophobicContact CD1-CD1 3.87Å; L481-I485 HydrophobicContact CD1-CG1 4.43Å; L481-I485 HydrophobicContact CG-CD1 3.99Å; L481-I485 WeakPolarHBondContact O-CG1 3.19Å; L481-I485 PolarHBondContact O-N 3.26Å; C482-I485 PolarHBondContact O-N 3.44Å; C482-I485 VanDerWaalsContact O-N 3.17Å; I485-V504 HydrophobicContact CG2-CG1 3.51Å; I485-L529 HydrophobicContact CD1-CD1 3.97Å |
| 486 | F | 88.9 | Confident | 69.1 | Low | 11 Ų | 11 | 71.6 Ų | 71.6 | 5% | 0.048 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -31.4 | -174 | -61.7 | -71.9 | 0 | 0 | 0 | 114 | C482 L488 V504 L508 L530 R533 | C482-F486 PolarHBondContact O-N 3.05Å; F486-L488 PolarHBondContact O-N 2.75Å; F486-V504 HydrophobicContact CE1-CB 4.48Å; F486-V504 HydrophobicContact CE1-CG1 3.72Å; F486-V504 HydrophobicContact CZ-CG1 3.97Å; F486-L508 HydrophobicContact CZ-CD1 4.06Å; F486-L530 HydrophobicContact CZ-CD2 4.29Å; F486-R533 HydrophobicContact CD1-CG 4.05Å; F486-R533 HydrophobicContact CD2-CB 4.2Å; F486-R533 HydrophobicContact CD2-CG 4.03Å; F486-R533 HydrophobicContact CE1-CG 4.08Å; F486-R533 HydrophobicContact CE2-CB 4.03Å; F486-R533 HydrophobicContact CE2-CG 4.06Å; F486-R533 HydrophobicContact CG-CG 4.03Å; F486-R533 HydrophobicContact CZ-CB 4.37Å; F486-R533 HydrophobicContact CZ-CG 4.08Å |
| 487 | G | 73.4 | Confident | 67.7 | Low | 53 Ų | 53 | 72.8 Ų | 72.8 | 55% | 0.546 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 15.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | N483 | N483-G487 VanDerWaalsContact O-CA 3.25Å; N483-G487 WeakPolarHBondContact O-CA 3.33Å; N483-G487 PolarHBondContact O-N 3.32Å |
| 488 | L | 56.5 | Low | 66.5 | Low | 109 Ų | 109 | 74.7 Ų | 74.7 | 57% | 0.571 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 9.8 | -177.5 | -82.4 | 175.7 | 0 | 0 | 0 | 115.2 | F486 | F486-L488 PolarHBondContact O-N 2.75Š|
| 489 | G | 47.2 | Very low | 65.4 | Low | 49 Ų | 49 | 75.8 Ų | 75.8 | 51% | 0.505 | 44% | 0.44 | S | S | . | . | trans | -169.8 | 103.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | S491 | G489-S491 PolarHBondContact O-N 3.4Š| ||
| 490 | P | 40.4 | Very low | 64.5 | Low | 130 Ų | 130 | 73.8 Ų | 73.8 | 84% | 0.844 | 43% | 0.429 | S | S | * | . | trans | -78.6 | 68.5 | 160.6 | 34.2 | -33.5 | 0 | 0 | 0 | 109.8 | K492 | P490-K492 PolarHBondContact O-N 3.07Š| ||
| 491 | S | 39.7 | Very low | 64.1 | Low | 109 Ų | 109 | 73.5 Ų | 73.5 | 76% | 0.762 | 43% | 0.426 | S | S | * | . | trans | -65.3 | 121.3 | 169 | -77.3 | 0 | 0 | 0 | 0 | 108.7 | G489 D493 | G489-S491 PolarHBondContact O-N 3.4Å; S491-D493 VanDerWaalsContact C-N 3.27Å; S491-D493 PolarHBondContact O-N 3.15Å | ||
| 492 | K | 40.1 | Very low | 63.9 | Low | 197 Ų | 197 | 75.2 Ų | 75.2 | 86% | 0.857 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -90.3 | 18 | -161.8 | -142.9 | -178.5 | -177.1 | -176 | 0 | 114.9 | P490 | P490-K492 PolarHBondContact O-N 3.07Š|
| 493 | D | 37.4 | Very low | 63.5 | Low | 99 Ų | 99 | 75.5 Ų | 75.5 | 53% | 0.529 | 44% | 0.438 | S | S | . | . | trans | -111.1 | 106.1 | 177.2 | -69.7 | -60.8 | 0 | 0 | 0 | 107.9 | S491 | S491-D493 VanDerWaalsContact C-N 3.27Å; S491-D493 PolarHBondContact O-N 3.15Å | ||
| 494 | G | 39.3 | Very low | 63.6 | Low | 51 Ų | 51 | 70.9 Ų | 70.9 | 53% | 0.526 | 41% | 0.413 | S | S | . | . | trans | -79.5 | 171.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 495 | H | 41 | Very low | 63.7 | Low | 157 Ų | 157 | 67.2 Ų | 67.2 | 73% | 0.727 | 40% | 0.399 | S | S | * | . | S | Bend | trans | 75.2 | 47.6 | 171.4 | -41.2 | -47.3 | 0 | 0 | 0 | 118.4 | E544 | H495-E544 IonicContact CE1-OE2 2.7Š|
| 496 | E | 49.1 | Very low | 63.7 | Low | 190 Ų | 190 | 68 Ų | 68 | 89% | 0.888 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -162.9 | 158.4 | 136.3 | -110.4 | 159.2 | -150.7 | 0 | 0 | 109.6 | ||
| 497 | I | 56.6 | Low | 63.8 | Low | 55 Ų | 55 | 67.5 Ų | 67.5 | 28% | 0.282 | 40% | 0.402 | S | S | . | . | trans | -71.4 | 132.7 | 172.8 | -55.7 | 167.9 | 0 | 0 | 0 | 106.7 | S499 D501 I566 | I497-S499 PolarHBondContact O-N 2.85Å; I497-D501 HydrophobicContact CG2-CB 4.19Å; I497-I566 HydrophobicContact CD1-CG2 3.59Å; I497-I566 HydrophobicContact CG1-CG2 4.33Å | ||
| 498 | S | 64.6 | Low | 64.9 | Low | 56 Ų | 56 | 65 Ų | 65 | 39% | 0.392 | 38% | 0.376 | S | S | . | . | trans | -66.6 | 135.6 | 176.5 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | D500 D501 D502 | S498-D500 PolarHBondContact O-N 3.17Å; S498-D500 PolarHBondContact OG-N 3.32Å; S498-D500 PolarHBondContact OG-OD2 3.36Å; S498-D501 PolarHBondContact O-N 2.95Å; S498-D502 PolarHBondContact O-N 3.41Å | ||
| 499 | S | 65.9 | Low | 66.7 | Low | 63 Ų | 63 | 59.8 Ų | 59.8 | 44% | 0.441 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.8 | -13.9 | 171.4 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | I497 | I497-S499 PolarHBondContact O-N 2.85Å |
| 500 | D | 68.4 | Low | 68.9 | Low | 28 Ų | 28 | 58.7 Ų | 58.7 | 15% | 0.15 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -78.4 | -33.3 | 171.2 | -60.7 | -53.3 | 0 | 0 | 0 | 113.1 | F452 T453 S498 A503 V504 | F452-D500 WeakPolarHBondContact CD1-OD1 3.45Å; F452-D500 HydrophobicContact CE1-CB 4.41Å; F452-D500 VanDerWaalsContact CE1-OD2 3.31Å; F452-D500 WeakPolarHBondContact CE1-OD2 3.3Å; T453-D500 PolarHBondContact OG1-OD1 3.02Å; S498-D500 PolarHBondContact O-N 3.17Å; S498-D500 PolarHBondContact OG-N 3.32Å; S498-D500 PolarHBondContact OG-OD2 3.36Å; D500-A503 PolarHBondContact O-N 3.47Å; D500-V504 WeakPolarHBondContact O-CG2 3.31Å; D500-V504 PolarHBondContact O-N 2.9Å; D500-V504 VanDerWaalsContact O-N 3.1Å |
| 501 | D | 82.9 | Confident | 71.5 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 6% | 0.064 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.2 | -40.2 | 173.7 | -84 | 17.2 | 0 | 0 | 0 | 108.9 | I497 S498 A503 V504 V505 R533 | I497-D501 HydrophobicContact CG2-CB 4.19Å; S498-D501 PolarHBondContact O-N 2.95Å; D501-A503 VanDerWaalsContact C-N 3.3Å; D501-A503 PolarHBondContact O-N 3.25Å; D501-V504 CarbonylContact O-C 3.57Å; D501-V504 WeakPolarHBondContact O-CA 3.47Å; D501-V504 WeakPolarHBondContact O-CB 3.24Å; D501-V504 PolarHBondContact O-N 3.4Å; D501-V505 VanDerWaalsContact O-CG2 3.22Å; D501-V505 WeakPolarHBondContact O-CG2 3.44Å; D501-V505 PolarHBondContact O-N 2.84Å; D501-R533 IonicContact OD2-CZ 3.63Å; D501-R533 IonicContact OD2-NE 2.63Å; D501-R533 PolarHBondContact OD2-NE 3.47Å; D501-R533 IonicContact OD2-NH2 2.7Å; D501-R533 PolarHBondContact OD2-NH2 2.91Å |
| 502 | D | 86.3 | Confident | 74.1 | Confident | 36 Ų | 36 | 47.9 Ų | 47.9 | 19% | 0.193 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.6 | -41.2 | 174.1 | -63.1 | -14.3 | 0 | 0 | 0 | 113.1 | S498 V505 S506 V570 | S498-D502 PolarHBondContact O-N 3.41Å; D502-V505 PolarHBondContact O-N 3.47Å; D502-S506 WeakPolarHBondContact O-CB 3.49Å; D502-S506 PolarHBondContact O-N 3.45Å; D502-S506 PolarHBondContact O-OG 2.87Å; D502-V570 HydrophobicContact CB-CG1 4.31Å; D502-V570 HydrophobicContact CB-CG2 4.23Å; D502-V570 WeakPolarHBondContact OD1-CG2 3.38Å |
| 503 | A | 84.9 | Confident | 76.7 | Confident | 6 Ų | 6 | 38.8 Ų | 38.8 | 5% | 0.05 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.6 | -32.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T453 D500 D501 L507 V1417 | T453-A503 HydrophobicContact CG2-CB 3.2Å; D500-A503 PolarHBondContact O-N 3.47Å; D501-A503 VanDerWaalsContact C-N 3.3Å; D501-A503 PolarHBondContact O-N 3.25Å; A503-L507 WeakPolarHBondContact O-CB 3.25Å; A503-L507 PolarHBondContact O-N 2.84Å; A503-V1417 HydrophobicContact CB-CG1 4.33Å |
| 504 | V | 90.2 | Very high | 79.2 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.2 | -40.8 | 171.4 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | T460 I485 F486 D500 D501 L507 L508 | T460-V504 HydrophobicContact CG2-CG1 4.27Å; I485-V504 HydrophobicContact CG2-CG1 3.51Å; F486-V504 HydrophobicContact CE1-CB 4.48Å; F486-V504 HydrophobicContact CE1-CG1 3.72Å; F486-V504 HydrophobicContact CZ-CG1 3.97Å; D500-V504 WeakPolarHBondContact O-CG2 3.31Å; D500-V504 PolarHBondContact O-N 2.9Å; D500-V504 VanDerWaalsContact O-N 3.1Å; D501-V504 CarbonylContact O-C 3.57Å; D501-V504 WeakPolarHBondContact O-CA 3.47Å; D501-V504 WeakPolarHBondContact O-CB 3.24Å; D501-V504 PolarHBondContact O-N 3.4Å; V504-L507 PolarHBondContact O-N 3.39Å; V504-L508 HydrophobicContact CG1-CD1 4.07Å; V504-L508 WeakPolarHBondContact O-CB 3.26Å; V504-L508 VanDerWaalsContact O-CG 3.27Å; V504-L508 WeakPolarHBondContact O-CG 3.36Å; V504-L508 PolarHBondContact O-N 3.01Å |
| 505 | V | 92.9 | Very high | 81.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.1 | -45.9 | 173.7 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | D501 D502 L507 L508 C509 L530 F567 V570 L571 | D501-V505 VanDerWaalsContact O-CG2 3.22Å; D501-V505 WeakPolarHBondContact O-CG2 3.44Å; D501-V505 PolarHBondContact O-N 2.84Å; D502-V505 PolarHBondContact O-N 3.47Å; V505-L507 PolarHBondContact O-N 3.01Å; V505-L508 PolarHBondContact O-N 3.29Å; V505-C509 PolarHBondContact O-N 3.49Å; V505-C509 PolarHBondContact O-SG 3.5Å; V505-L530 HydrophobicContact CG1-CD1 4.13Å; V505-L530 HydrophobicContact CG1-CD2 4.43Å; V505-L530 HydrophobicContact CG2-CD2 3.79Å; V505-F567 HydrophobicContact CG1-CD1 4.41Å; V505-F567 HydrophobicContact CG2-CD1 3.68Å; V505-F567 HydrophobicContact CG2-CE1 3.72Å; V505-F567 HydrophobicContact CG2-CG 4.45Å; V505-F567 HydrophobicContact CG2-CZ 4.5Å; V505-V570 HydrophobicContact CB-CG1 4.09Å; V505-V570 HydrophobicContact CG1-CB 4.36Å; V505-V570 HydrophobicContact CG1-CG1 3.76Å; V505-L571 HydrophobicContact CG1-CD2 4.42Å |
| 506 | S | 91.3 | Very high | 83.4 | Confident | 17 Ų | 17 | 31.4 Ų | 31.4 | 12% | 0.119 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.2 | -46.5 | 176 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | D502 L508 C509 E510 | D502-S506 WeakPolarHBondContact O-CB 3.49Å; D502-S506 PolarHBondContact O-N 3.45Å; D502-S506 PolarHBondContact O-OG 2.87Å; S506-L508 PolarHBondContact O-N 2.96Å; S506-C509 WeakPolarHBondContact O-CB 3.31Å; S506-C509 PolarHBondContact O-N 3.36Å; S506-E510 WeakPolarHBondContact O-CG 3.48Å; S506-E510 PolarHBondContact O-N 3.34Å |
| 507 | L | 92 | Very high | 85.2 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.1 | -40.1 | 175.3 | 176.7 | 69.4 | 0 | 0 | 0 | 112.8 | V457 T460 L461 A503 V504 V505 C509 E510 W511 W1355 | V457-L507 HydrophobicContact CB-CD2 4.08Å; V457-L507 HydrophobicContact CG1-CD1 4.04Å; V457-L507 HydrophobicContact CG1-CD2 3.87Å; V457-L507 HydrophobicContact CG1-CG 4.47Å; V457-L507 HydrophobicContact CG2-CB 4.48Å; V457-L507 HydrophobicContact CG2-CD2 4.16Å; V457-L507 VanDerWaalsContact O-CD2 3.24Å; V457-L507 WeakPolarHBondContact O-CD2 3.2Å; T460-L507 HydrophobicContact CG2-CD2 3.84Å; L461-L507 HydrophobicContact CD1-CD1 3.86Å; L461-L507 HydrophobicContact CD1-CD2 4.48Å; L461-L507 HydrophobicContact CG-CD1 4.07Å; L461-L507 HydrophobicContact CG-CD2 4.18Å; A503-L507 WeakPolarHBondContact O-CB 3.25Å; A503-L507 PolarHBondContact O-N 2.84Å; V504-L507 PolarHBondContact O-N 3.39Å; V505-L507 PolarHBondContact O-N 3.01Å; L507-C509 VanDerWaalsContact C-N 3.29Å; L507-C509 PolarHBondContact O-N 2.81Å; L507-E510 PolarHBondContact O-N 3.24Å; L507-W511 VanDerWaalsContact O-CB 3.23Å; L507-W511 WeakPolarHBondContact O-CB 3.4Å; L507-W511 PolarHBondContact O-N 3.22Å; L507-W1355 HydrophobicContact CD1-CH2 4.37Å |
| 508 | L | 95.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.2 | -40.2 | 176.4 | -76 | 165.8 | 0 | 0 | 0 | 110.6 | L464 F486 V504 V505 S506 W511 A512 V526 L529 L530 | L464-L508 HydrophobicContact CD1-CD2 3.95Å; L464-L508 HydrophobicContact CD2-CD2 4.4Å; F486-L508 HydrophobicContact CZ-CD1 4.06Å; V504-L508 HydrophobicContact CG1-CD1 4.07Å; V504-L508 WeakPolarHBondContact O-CB 3.26Å; V504-L508 VanDerWaalsContact O-CG 3.27Å; V504-L508 WeakPolarHBondContact O-CG 3.36Å; V504-L508 PolarHBondContact O-N 3.01Å; V505-L508 PolarHBondContact O-N 3.29Å; S506-L508 PolarHBondContact O-N 2.96Å; L508-W511 WeakPolarHBondContact O-CB 3.35Å; L508-W511 PolarHBondContact O-N 3.43Å; L508-A512 PolarHBondContact O-N 3.02Å; L508-V526 HydrophobicContact CB-CG1 3.95Å; L508-V526 HydrophobicContact CB-CG2 3.99Å; L508-V526 HydrophobicContact CD2-CG2 4.11Å; L508-V526 WeakPolarHBondContact O-CG2 3.49Å; L508-L529 HydrophobicContact CD2-CD1 4.13Å; L508-L530 HydrophobicContact CD1-CD2 4.15Å |
| 509 | C | 95.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.4 | -50.1 | 174.5 | -61.3 | 0 | 0 | 0 | 0 | 112 | V505 S506 L507 W511 A512 V513 L571 F574 L600 | V505-C509 PolarHBondContact O-N 3.49Å; V505-C509 PolarHBondContact O-SG 3.5Å; S506-C509 WeakPolarHBondContact O-CB 3.31Å; S506-C509 PolarHBondContact O-N 3.36Å; L507-C509 VanDerWaalsContact C-N 3.29Å; L507-C509 PolarHBondContact O-N 2.81Å; C509-W511 PolarHBondContact O-N 3.37Å; C509-A512 PolarHBondContact O-N 2.76Å; C509-V513 WeakPolarHBondContact O-CB 3.4Å; C509-V513 VanDerWaalsContact O-CG2 3.25Å; C509-V513 WeakPolarHBondContact O-CG2 3.44Å; C509-V513 PolarHBondContact O-N 3.18Å; C509-L571 WeakPolarHBondContact SG-CD2 3.34Å; C509-F574 HydrophobicContact CB-CD1 3.99Å; C509-F574 HydrophobicContact CB-CD2 3.84Å; C509-F574 HydrophobicContact CB-CE1 3.8Å; C509-F574 HydrophobicContact CB-CE2 3.67Å; C509-F574 HydrophobicContact CB-CG 4.02Å; C509-F574 HydrophobicContact CB-CZ 3.64Å; C509-L600 HydrophobicContact CB-CD2 4.04Å |
| 510 | E | 93.2 | Very high | 88.5 | Confident | 26 Ų | 26 | 21.4 Ų | 21.4 | 12% | 0.121 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.5 | -37 | 173.5 | -70.2 | -176.3 | 160.6 | 0 | 0 | 112.6 | S506 L507 S514 F574 Q1354 W1355 R1423 | S506-E510 WeakPolarHBondContact O-CG 3.48Å; S506-E510 PolarHBondContact O-N 3.34Å; L507-E510 PolarHBondContact O-N 3.24Å; E510-S514 WeakPolarHBondContact O-CB 3.34Å; E510-S514 PolarHBondContact O-N 3.11Å; E510-F574 HydrophobicContact CG-CE2 3.89Å; E510-Q1354 PolarHBondContact OE2-NE2 3.46Å; E510-W1355 HydrophobicContact CB-CH2 4.29Å; E510-W1355 HydrophobicContact CB-CZ2 3.95Å; E510-R1423 IonicContact OE1-CZ 3.3Å; E510-R1423 VanDerWaalsContact OE1-CZ 3.27Å; E510-R1423 IonicContact OE1-NH1 2.72Å; E510-R1423 PolarHBondContact OE1-NH1 2.97Å; E510-R1423 IonicContact OE1-NH2 2.71Å; E510-R1423 PolarHBondContact OE1-NH2 3.3Å; E510-R1423 IonicContact OE2-CZ 3.05Å; E510-R1423 IonicContact OE2-NH1 3.71Å; E510-R1423 IonicContact OE2-NH2 3.7Å; E510-R1423 PolarHBondContact OE2-NH2 3.36Å |
| 511 | W | 94.7 | Very high | 89.6 | Confident | 7 Ų | 7 | 21.3 Ų | 21.3 | 3% | 0.027 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.9 | -67.8 | 174.7 | -176.4 | 85.7 | 0 | 0 | 0 | 108.4 | L464 F469 L507 L508 C509 V513 S514 R522 V525 V526 W1355 | L464-W511 HydrophobicContact CB-CZ2 4.13Å; L464-W511 HydrophobicContact CD1-CD2 4.01Å; L464-W511 HydrophobicContact CD1-CG 4.05Å; L464-W511 HydrophobicContact CD2-CH2 4.08Å; L464-W511 HydrophobicContact CD2-CZ2 4.11Å; L464-W511 HydrophobicContact CD2-CZ3 4.3Å; F469-W511 HydrophobicContact CE2-CH2 4.03Å; F469-W511 HydrophobicContact CE2-CZ2 4.13Å; F469-W511 AromaticContact CZ-CH2 3.94Å; F469-W511 HydrophobicContact CZ-CH2 3.94Å; F469-W511 HydrophobicContact CZ-CZ2 4.36Å; L507-W511 VanDerWaalsContact O-CB 3.23Å; L507-W511 WeakPolarHBondContact O-CB 3.4Å; L507-W511 PolarHBondContact O-N 3.22Å; L508-W511 WeakPolarHBondContact O-CB 3.35Å; L508-W511 PolarHBondContact O-N 3.43Å; C509-W511 PolarHBondContact O-N 3.37Å; W511-V513 PolarHBondContact O-N 2.75Å; W511-S514 PolarHBondContact O-N 3.23Å; W511-R522 HydrophobicContact CE3-CB 3.97Å; W511-R522 HydrophobicContact CE3-CG 4.43Å; W511-R522 HydrophobicContact CH2-CB 3.84Å; W511-R522 HydrophobicContact CH2-CG 3.59Å; W511-R522 HydrophobicContact CZ2-CG 3.99Å; W511-R522 HydrophobicContact CZ3-CB 3.51Å; W511-R522 HydrophobicContact CZ3-CG 3.84Å; W511-R522 PolarHBondContact O-NH1 3.09Å; W511-R522 VanDerWaalsContact O-NH1 3.07Å; W511-R522 PolarHBondContact O-NH2 2.84Å; W511-V525 HydrophobicContact CH2-CG1 4.33Å; W511-V525 HydrophobicContact CZ3-CB 4.26Å; W511-V525 HydrophobicContact CZ3-CG1 4.1Å; W511-V526 HydrophobicContact CE3-CG2 3.83Å; W511-V526 HydrophobicContact CZ3-CG2 4.11Å; W511-W1355 HydrophobicContact CB-CH2 4.13Å; W511-W1355 HydrophobicContact CB-CZ3 4.44Å |
| 512 | A | 95.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 21 Ų | 21 | 3% | 0.033 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -51.7 | -30.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L508 C509 R522 V526 L600 | L508-A512 PolarHBondContact O-N 3.02Å; C509-A512 PolarHBondContact O-N 2.76Å; A512-R522 HydrophobicContact CB-CB 4.47Å; A512-V526 HydrophobicContact CB-CB 4.33Å; A512-V526 HydrophobicContact CB-CG2 3.85Å; A512-L600 HydrophobicContact CB-CD1 3.92Å; A512-L600 HydrophobicContact CB-CD2 4.2Å; A512-L600 HydrophobicContact CB-CG 4.44Å |
| 513 | V | 94.3 | Very high | 90.7 | Very high | 7 Ų | 7 | 19.4 Ų | 19.4 | 4% | 0.042 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -76.9 | -46.4 | 176.2 | 170 | 0 | 0 | 0 | 0 | 114 | C509 W511 F574 P580 E593 N596 L597 L600 | C509-V513 WeakPolarHBondContact O-CB 3.4Å; C509-V513 VanDerWaalsContact O-CG2 3.25Å; C509-V513 WeakPolarHBondContact O-CG2 3.44Å; C509-V513 PolarHBondContact O-N 3.18Å; W511-V513 PolarHBondContact O-N 2.75Å; V513-F574 HydrophobicContact CG2-CE1 4.47Å; V513-F574 HydrophobicContact CG2-CZ 4.24Å; V513-P580 HydrophobicContact CG1-CG 3.56Å; V513-E593 HydrophobicContact CG1-CB 4.14Å; V513-N596 VanDerWaalsContact O-CB 3.28Å; V513-N596 WeakPolarHBondContact O-CB 3.43Å; V513-N596 PolarHBondContact O-ND2 2.72Å; V513-L597 HydrophobicContact CG2-CB 4.04Å; V513-L597 HydrophobicContact CG2-CD1 3.87Å; V513-L600 HydrophobicContact CG2-CD2 3.94Å |
| 514 | S | 90 | Very high | 91.1 | Very high | 11 Ų | 11 | 19.7 Ų | 19.7 | 8% | 0.077 | 11% | 0.105 | C | C | . | . | trans | -71.6 | 141.1 | -160.8 | -174.5 | 0 | 0 | 0 | 0 | 115.4 | E510 W511 K516 R522 E593 | E510-S514 WeakPolarHBondContact O-CB 3.34Å; E510-S514 PolarHBondContact O-N 3.11Å; W511-S514 PolarHBondContact O-N 3.23Å; S514-K516 PolarHBondContact O-N 2.68Å; S514-K516 VanDerWaalsContact O-N 3.17Å; S514-K516 PolarHBondContact OG-N 3.08Å; S514-R522 PolarHBondContact O-NH1 2.85Å; S514-E593 VanDerWaalsContact CA-OE1 3.31Å; S514-E593 WeakPolarHBondContact CA-OE1 3.45Å; S514-E593 PolarHBondContact OG-OE1 2.97Å; S514-E593 VanDerWaalsContact OG-OE1 3.06Å | ||
| 515 | C | 85.8 | Confident | 91.4 | Very high | 24 Ų | 24 | 19.6 Ų | 19.6 | 16% | 0.162 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 4.8 | 173.6 | 68 | 0 | 0 | 0 | 0 | 115 | R517 E593 | C515-R517 VanDerWaalsContact C-N 3.3Å; C515-E593 HydrophobicContact CB-CG 3.86Å; C515-E593 PolarHBondContact N-OE1 3.42Å; C515-E593 PolarHBondContact SG-OE1 3.09Å |
| 516 | K | 83.1 | Confident | 91.6 | Very high | 116 Ų | 116 | 19.6 Ų | 19.6 | 50% | 0.504 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 4.3 | 179.1 | -54.3 | -49.3 | 175.7 | -139.7 | 0 | 114.2 | S514 W1355 | S514-K516 PolarHBondContact O-N 2.68Å; S514-K516 VanDerWaalsContact O-N 3.17Å; S514-K516 PolarHBondContact OG-N 3.08Å; K516-W1355 HydrophobicContact CB-CB 4.02Å; K516-W1355 HydrophobicContact CB-CD2 4.37Å; K516-W1355 HydrophobicContact CB-CE3 4.42Å; K516-W1355 HydrophobicContact CB-CG 4.2Å; K516-W1355 HydrophobicContact CG-CB 4.1Å; K516-W1355 HydrophobicContact CG-CG 4.13Å |
| 517 | R | 85.7 | Confident | 91.9 | Very high | 16 Ų | 16 | 18.8 Ų | 18.8 | 6% | 0.06 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -155.6 | 149.4 | 179.8 | -63.4 | -65.2 | -178.5 | -81.8 | 1.1 | 107.3 | D465 C515 R522 E1295 W1355 | D465-R517 IonicContact OD1-CZ 3.26Å; D465-R517 IonicContact OD1-NE 2.98Å; D465-R517 PolarHBondContact OD1-NE 3.27Å; D465-R517 IonicContact OD1-NH2 3.41Å; D465-R517 IonicContact OD2-CZ 3.16Å; D465-R517 IonicContact OD2-NE 2.77Å; D465-R517 PolarHBondContact OD2-NE 3.26Å; D465-R517 IonicContact OD2-NH2 4Å; D465-R517 PolarHBondContact OD2-NH2 2.77Å; C515-R517 VanDerWaalsContact C-N 3.3Å; R517-R522 VanDerWaalsContact CB-NH2 3.33Å; R517-R522 PolarHBondContact O-NH1 3.36Å; R517-R522 VanDerWaalsContact O-NH1 3.08Å; R517-E1295 WeakPolarHBondContact CA-OE1 3.19Å; R517-E1295 VanDerWaalsContact CB-OE1 3.31Å; R517-E1295 WeakPolarHBondContact CB-OE1 3.37Å; R517-E1295 WeakPolarHBondContact CD-OE1 3.32Å; R517-W1355 PolarHBondContact NH1-O 2.83Å; R517-W1355 PolarHBondContact NH2-O 3.38Å; R517-W1355 VanDerWaalsContact NH2-O 3.16Å |
| 518 | S | 82.5 | Confident | 92 | Very high | 18 Ų | 18 | 20.2 Ų | 20.2 | 13% | 0.126 | 11% | 0.105 | C | C | . | . | trans | -110.7 | 165.4 | -166.7 | 81.1 | 0 | 0 | 0 | 0 | 113.8 | R522 E1295 | S518-R522 WeakPolarHBondContact O-CD 3.35Å; S518-E1295 WeakPolarHBondContact CA-OE2 2.99Å; S518-E1295 VanDerWaalsContact CB-OE2 3.24Å; S518-E1295 WeakPolarHBondContact CB-OE2 3.46Å; S518-E1295 PolarHBondContact N-OE1 3.15Å; S518-E1295 PolarHBondContact N-OE2 3.47Å; S518-E1295 PolarHBondContact OG-OE2 2.92Å | ||
| 519 | G | 85.8 | Confident | 92 | Very high | 39 Ų | 39 | 20.2 Ų | 20.2 | 40% | 0.402 | 11% | 0.105 | S | C | . | . | trans | 93.8 | 134.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | H521 R522 | G519-H521 VanDerWaalsContact C-N 3.32Å; G519-H521 PolarHBondContact O-N 3.49Å; G519-R522 VanDerWaalsContact O-CD 3.29Å; G519-R522 WeakPolarHBondContact O-CD 3.4Å; G519-R522 VanDerWaalsContact O-CG 3.23Å; G519-R522 WeakPolarHBondContact O-CG 3.42Å | ||
| 520 | R | 88.3 | Confident | 92 | Very high | 81 Ų | 81 | 20.2 Ų | 20.2 | 31% | 0.306 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -16.2 | -172.6 | -65 | 156.8 | 177.7 | 158.9 | -5.1 | 114.3 | R522 L599 E882 I887 Y934 | R520-R522 PolarHBondContact O-N 2.88Å; R520-R522 VanDerWaalsContact O-N 3.11Å; R520-L599 HydrophobicContact CB-CD2 3.96Å; R520-L599 HydrophobicContact CG-CD2 4.4Å; R520-E882 IonicContact CZ-OE1 2.94Å; R520-E882 IonicContact NH1-OE1 3.19Å; R520-E882 PolarHBondContact NH1-OE1 3.1Å; R520-E882 IonicContact NH2-OE1 2.83Å; R520-I887 HydrophobicContact CB-CD1 3.56Å; R520-I887 HydrophobicContact CG-CD1 3.99Å; R520-Y934 HydrophobicContact CB-CE1 4.36Å; R520-Y934 WeakPolarHBondContact CD-OH 3.29Å; R520-Y934 PolarHBondContact NH1-OH 2.82Å |
| 521 | H | 92.5 | Very high | 92.1 | Very high | 26 Ų | 26 | 22.3 Ų | 22.3 | 12% | 0.12 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59 | -22.7 | 177.8 | 66.4 | -89.7 | 0 | 0 | 0 | 113.4 | F469 G519 A523 M524 V525 A936 C937 | F469-H521 AromaticContact CD2-NE2 3.45Å; F469-H521 WeakPolarHBondContact CD2-NE2 3.47Å; F469-H521 AromaticContact CG-CD2 3.64Å; F469-H521 AromaticContact CG-NE2 3.54Å; G519-H521 VanDerWaalsContact C-N 3.32Å; G519-H521 PolarHBondContact O-N 3.49Å; H521-A523 VanDerWaalsContact C-N 3.34Å; H521-A523 PolarHBondContact O-N 2.99Å; H521-M524 PolarHBondContact O-N 3.04Å; H521-M524 VanDerWaalsContact O-N 3.15Å; H521-V525 WeakPolarHBondContact O-CG2 3.3Å; H521-V525 PolarHBondContact O-N 3.31Å; H521-A936 HydrophobicContact CB-CB 3.99Å; H521-A936 WeakPolarHBondContact CB-O 3.46Å; H521-C937 VanDerWaalsContact CA-SG 3.55Å |
| 522 | R | 95 | Very high | 92 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 2% | 0.019 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.8 | -37.9 | -172.9 | -60.9 | 174.3 | 66.3 | -137.9 | 4.5 | 112.9 | W511 A512 S514 R517 S518 G519 R520 V525 V526 | W511-R522 HydrophobicContact CE3-CB 3.97Å; W511-R522 HydrophobicContact CE3-CG 4.43Å; W511-R522 HydrophobicContact CH2-CB 3.84Å; W511-R522 HydrophobicContact CH2-CG 3.59Å; W511-R522 HydrophobicContact CZ2-CG 3.99Å; W511-R522 HydrophobicContact CZ3-CB 3.51Å; W511-R522 HydrophobicContact CZ3-CG 3.84Å; W511-R522 PolarHBondContact O-NH1 3.09Å; W511-R522 VanDerWaalsContact O-NH1 3.07Å; W511-R522 PolarHBondContact O-NH2 2.84Å; A512-R522 HydrophobicContact CB-CB 4.47Å; S514-R522 PolarHBondContact O-NH1 2.85Å; R517-R522 VanDerWaalsContact CB-NH2 3.33Å; R517-R522 PolarHBondContact O-NH1 3.36Å; R517-R522 VanDerWaalsContact O-NH1 3.08Å; S518-R522 WeakPolarHBondContact O-CD 3.35Å; G519-R522 VanDerWaalsContact O-CD 3.29Å; G519-R522 WeakPolarHBondContact O-CD 3.4Å; G519-R522 VanDerWaalsContact O-CG 3.23Å; G519-R522 WeakPolarHBondContact O-CG 3.42Å; R520-R522 PolarHBondContact O-N 2.88Å; R520-R522 VanDerWaalsContact O-N 3.11Å; R522-V525 PolarHBondContact O-N 3.36Å; R522-V526 WeakPolarHBondContact O-CG2 3.25Å; R522-V526 PolarHBondContact O-N 3.33Å; R522-V526 VanDerWaalsContact O-N 3.08Å |
| 523 | A | 95.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 3% | 0.025 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.7 | -48.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H521 V525 V526 A527 L599 L600 E603 | H521-A523 VanDerWaalsContact C-N 3.34Å; H521-A523 PolarHBondContact O-N 2.99Å; A523-V525 PolarHBondContact O-N 3.45Å; A523-V526 PolarHBondContact O-N 2.94Å; A523-A527 PolarHBondContact O-N 2.69Å; A523-L599 HydrophobicContact CB-CB 4.38Å; A523-L599 HydrophobicContact CB-CD2 3.9Å; A523-L599 HydrophobicContact CB-CG 3.64Å; A523-L600 HydrophobicContact CB-CB 4.35Å; A523-E603 HydrophobicContact CB-CG 4.49Å |
| 524 | M | 95.2 | Very high | 91.7 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 6% | 0.059 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.1 | -36 | 179.1 | -61.7 | 172.7 | 70.2 | 0 | 0 | 112.2 | H521 K528 E603 I887 S888 C937 L940 | H521-M524 PolarHBondContact O-N 3.04Å; H521-M524 VanDerWaalsContact O-N 3.15Å; M524-K528 WeakPolarHBondContact O-CB 3.47Å; M524-K528 WeakPolarHBondContact O-CG 3.48Å; M524-K528 PolarHBondContact O-N 3.17Å; M524-E603 HydrophobicContact CG-CG 3.81Å; M524-I887 HydrophobicContact SD-CG2 4.45Å; M524-S888 WeakPolarHBondContact CE-OG 3.43Å; M524-C937 HydrophobicContact CE-CB 4.06Å; M524-C937 HydrophobicContact SD-CB 3.57Å; M524-C937 VanDerWaalsContact SD-CB 3.57Å; M524-C937 VanDerWaalsContact SD-SG 3.61Å; M524-L940 HydrophobicContact CB-CD1 3.6Å |
| 525 | V | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.6 | -47.3 | 172.6 | 168.5 | 0 | 0 | 0 | 0 | 110.7 | F469 L481 W511 H521 R522 A523 L529 L940 | F469-V525 HydrophobicContact CD1-CG2 3.73Å; F469-V525 HydrophobicContact CE1-CB 4.35Å; F469-V525 HydrophobicContact CE1-CG1 3.84Å; F469-V525 HydrophobicContact CE1-CG2 3.55Å; F469-V525 HydrophobicContact CZ-CG1 4.24Å; F469-V525 HydrophobicContact CZ-CG2 4.43Å; L481-V525 HydrophobicContact CD2-CG1 4.05Å; W511-V525 HydrophobicContact CH2-CG1 4.33Å; W511-V525 HydrophobicContact CZ3-CB 4.26Å; W511-V525 HydrophobicContact CZ3-CG1 4.1Å; H521-V525 WeakPolarHBondContact O-CG2 3.3Å; H521-V525 PolarHBondContact O-N 3.31Å; R522-V525 PolarHBondContact O-N 3.36Å; A523-V525 PolarHBondContact O-N 3.45Å; V525-L529 HydrophobicContact CG1-CD1 3.81Å; V525-L529 HydrophobicContact CG1-CG 4.35Å; V525-L529 WeakPolarHBondContact O-CB 3.49Å; V525-L529 VanDerWaalsContact O-CG 3.24Å; V525-L529 WeakPolarHBondContact O-CG 3.3Å; V525-L529 PolarHBondContact O-N 2.81Å; V525-L940 HydrophobicContact CG2-CD1 3.76Å; V525-L940 HydrophobicContact CG2-CD2 3.74Å; V525-L940 HydrophobicContact CG2-CG 4.41Å |
| 526 | V | 97 | Very high | 91.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.3 | -46.6 | -179.8 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | L508 W511 A512 R522 A523 K528 L529 L530 L600 | L508-V526 HydrophobicContact CB-CG1 3.95Å; L508-V526 HydrophobicContact CB-CG2 3.99Å; L508-V526 HydrophobicContact CD2-CG2 4.11Å; L508-V526 WeakPolarHBondContact O-CG2 3.49Å; W511-V526 HydrophobicContact CE3-CG2 3.83Å; W511-V526 HydrophobicContact CZ3-CG2 4.11Å; A512-V526 HydrophobicContact CB-CB 4.33Å; A512-V526 HydrophobicContact CB-CG2 3.85Å; R522-V526 WeakPolarHBondContact O-CG2 3.25Å; R522-V526 PolarHBondContact O-N 3.33Å; R522-V526 VanDerWaalsContact O-N 3.08Å; A523-V526 PolarHBondContact O-N 2.94Å; V526-K528 PolarHBondContact O-N 3.31Å; V526-L529 PolarHBondContact O-N 3.41Å; V526-L530 HydrophobicContact CG1-CD1 4.03Å; V526-L530 HydrophobicContact CG1-CG 4.4Å; V526-L530 WeakPolarHBondContact O-CG 3.37Å; V526-L530 PolarHBondContact O-N 2.98Å; V526-L600 HydrophobicContact CB-CD1 4Å; V526-L600 HydrophobicContact CG1-CD1 3.79Å |
| 527 | A | 96.4 | Very high | 92 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.1 | -49.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A523 L530 E531 E603 L604 | A523-A527 PolarHBondContact O-N 2.69Å; A527-L530 PolarHBondContact O-N 3.15Å; A527-E531 VanDerWaalsContact O-CB 3.3Å; A527-E531 WeakPolarHBondContact O-CB 3.34Å; A527-E531 PolarHBondContact O-N 3.23Å; A527-E603 HydrophobicContact CB-CB 3.69Å; A527-L604 HydrophobicContact CB-CD2 4.28Å |
| 528 | K | 95.2 | Very high | 92 | Very high | 29 Ų | 29 | 28.3 Ų | 28.3 | 13% | 0.126 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.2 | -29.9 | 179.2 | -71.9 | 172.5 | 161.4 | -87.2 | 0 | 114.4 | L478 M524 V526 K532 L940 | L478-K528 HydrophobicContact CD2-CB 3.73Å; M524-K528 WeakPolarHBondContact O-CB 3.47Å; M524-K528 WeakPolarHBondContact O-CG 3.48Å; M524-K528 PolarHBondContact O-N 3.17Å; V526-K528 PolarHBondContact O-N 3.31Å; K528-K532 WeakPolarHBondContact O-CB 3.3Å; K528-K532 PolarHBondContact O-N 3.33Å; K528-L940 HydrophobicContact CD-CB 3.95Å; K528-L940 WeakPolarHBondContact CE-O 3.33Å; K528-L940 PolarHBondContact NZ-O 3.07Å; K528-L940 VanDerWaalsContact NZ-O 3.13Å |
| 529 | L | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67 | -40.8 | 172.2 | -78.7 | 173.3 | 0 | 0 | 0 | 111.3 | L478 L481 C482 I485 L508 V525 V526 R533 | L478-L529 HydrophobicContact CD1-CD2 3.87Å; L478-L529 HydrophobicContact CD1-CG 3.95Å; L478-L529 HydrophobicContact CG-CD2 4.33Å; L481-L529 HydrophobicContact CB-CD2 4.42Å; L481-L529 HydrophobicContact CD2-CD1 4.08Å; L481-L529 HydrophobicContact CD2-CD2 4.4Å; L481-L529 HydrophobicContact CG-CD1 4.28Å; L481-L529 HydrophobicContact CG-CD2 4.17Å; C482-L529 HydrophobicContact CB-CD2 3.88Å; I485-L529 HydrophobicContact CD1-CD1 3.97Å; L508-L529 HydrophobicContact CD2-CD1 4.13Å; V525-L529 HydrophobicContact CG1-CD1 3.81Å; V525-L529 HydrophobicContact CG1-CG 4.35Å; V525-L529 WeakPolarHBondContact O-CB 3.49Å; V525-L529 VanDerWaalsContact O-CG 3.24Å; V525-L529 WeakPolarHBondContact O-CG 3.3Å; V525-L529 PolarHBondContact O-N 2.81Å; V526-L529 PolarHBondContact O-N 3.41Å; L529-R533 WeakPolarHBondContact O-CB 3.29Å; L529-R533 PolarHBondContact O-N 3.28Å |
| 530 | L | 95.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -76.7 | -38.5 | 179.3 | -62.7 | -176.4 | 0 | 0 | 0 | 112.4 | F486 V505 L508 V526 A527 K532 R533 Q534 F567 L604 V609 | F486-L530 HydrophobicContact CZ-CD2 4.29Å; V505-L530 HydrophobicContact CG1-CD1 4.13Å; V505-L530 HydrophobicContact CG1-CD2 4.43Å; V505-L530 HydrophobicContact CG2-CD2 3.79Å; L508-L530 HydrophobicContact CD1-CD2 4.15Å; V526-L530 HydrophobicContact CG1-CD1 4.03Å; V526-L530 HydrophobicContact CG1-CG 4.4Å; V526-L530 WeakPolarHBondContact O-CG 3.37Å; V526-L530 PolarHBondContact O-N 2.98Å; A527-L530 PolarHBondContact O-N 3.15Å; L530-K532 VanDerWaalsContact C-N 3.35Å; L530-K532 PolarHBondContact O-N 3.02Å; L530-R533 PolarHBondContact O-N 3.4Å; L530-Q534 VanDerWaalsContact O-CB 3.25Å; L530-Q534 WeakPolarHBondContact O-CB 3.33Å; L530-Q534 PolarHBondContact O-N 3.04Å; L530-F567 HydrophobicContact CB-CD2 4.18Å; L530-F567 HydrophobicContact CB-CE2 4.32Å; L530-F567 HydrophobicContact CD2-CD2 4.41Å; L530-F567 HydrophobicContact CD2-CE2 4.29Å; L530-L604 HydrophobicContact CD1-CD2 4.02Å; L530-V609 HydrophobicContact CB-CG1 3.64Å; L530-V609 HydrophobicContact CB-CG2 4.31Å; L530-V609 HydrophobicContact CD1-CG1 4.21Å |
| 531 | E | 95 | Very high | 90.9 | Very high | 71 Ų | 71 | 38 Ų | 38 | 33% | 0.332 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -51.1 | -53 | 167.3 | 173.1 | -171 | -130.5 | 0 | 0 | 110.7 | A527 Q534 A535 H607 V609 | A527-E531 VanDerWaalsContact O-CB 3.3Å; A527-E531 WeakPolarHBondContact O-CB 3.34Å; A527-E531 PolarHBondContact O-N 3.23Å; E531-Q534 PolarHBondContact O-N 3.31Å; E531-A535 PolarHBondContact O-N 3.29Å; E531-H607 HydrophobicContact CB-CB 4.33Å; E531-H607 IonicContact OE1-CE1 2.65Å; E531-H607 IonicContact OE1-CG 2.78Å; E531-H607 IonicContact OE1-ND1 2.7Å; E531-H607 PolarHBondContact OE1-ND1 3.4Å; E531-H607 IonicContact OE2-CE1 2.67Å; E531-H607 IonicContact OE2-ND1 3.52Å; E531-H607 PolarHBondContact OE2-ND1 3.23Å; E531-V609 HydrophobicContact CB-CG2 4.1Å |
| 532 | K | 92.3 | Very high | 89.5 | Confident | 56 Ų | 56 | 41 Ų | 41 | 24% | 0.243 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.3 | -44.3 | 179.5 | -170.6 | 179.8 | 178.8 | -171.5 | 0 | 112 | D479 C482 K528 L530 Q534 A535 E536 | D479-K532 IonicContact OD1-NZ 2.71Å; D479-K532 PolarHBondContact OD1-NZ 3.25Å; C482-K532 HydrophobicContact CB-CD 4.2Å; K528-K532 WeakPolarHBondContact O-CB 3.3Å; K528-K532 PolarHBondContact O-N 3.33Å; L530-K532 VanDerWaalsContact C-N 3.35Å; L530-K532 PolarHBondContact O-N 3.02Å; K532-Q534 VanDerWaalsContact C-N 3.31Å; K532-Q534 PolarHBondContact O-N 2.93Å; K532-A535 PolarHBondContact O-N 3.3Å; K532-E536 WeakPolarHBondContact CE-OE1 3.44Å; K532-E536 IonicContact NZ-OE1 3.42Å; K532-E536 WeakPolarHBondContact O-CG 3.19Å; K532-E536 PolarHBondContact O-N 3.45Å |
| 533 | R | 92 | Very high | 87.7 | Confident | 37 Ų | 37 | 43.5 Ų | 43.5 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.8 | -33.6 | 179.5 | -174.1 | 60.7 | 177.8 | 138.7 | 8.1 | 112.2 | F486 D501 L529 L530 E536 I537 F567 | F486-R533 HydrophobicContact CD1-CG 4.05Å; F486-R533 HydrophobicContact CD2-CB 4.2Å; F486-R533 HydrophobicContact CD2-CG 4.03Å; F486-R533 HydrophobicContact CE1-CG 4.08Å; F486-R533 HydrophobicContact CE2-CB 4.03Å; F486-R533 HydrophobicContact CE2-CG 4.06Å; F486-R533 HydrophobicContact CG-CG 4.03Å; F486-R533 HydrophobicContact CZ-CB 4.37Å; F486-R533 HydrophobicContact CZ-CG 4.08Å; D501-R533 IonicContact OD2-CZ 3.63Å; D501-R533 IonicContact OD2-NE 2.63Å; D501-R533 PolarHBondContact OD2-NE 3.47Å; D501-R533 IonicContact OD2-NH2 2.7Å; D501-R533 PolarHBondContact OD2-NH2 2.91Å; L529-R533 WeakPolarHBondContact O-CB 3.29Å; L529-R533 PolarHBondContact O-N 3.28Å; L530-R533 PolarHBondContact O-N 3.4Å; R533-E536 WeakPolarHBondContact CD-OE2 3.45Å; R533-E536 IonicContact NH1-OE2 3.93Å; R533-E536 PolarHBondContact O-N 3.14Å; R533-I537 HydrophobicContact CG-CD1 4.15Å; R533-I537 WeakPolarHBondContact O-CD1 3.47Å; R533-I537 VanDerWaalsContact O-CG1 3.28Å; R533-I537 WeakPolarHBondContact O-CG1 3.45Å; R533-I537 PolarHBondContact O-N 2.76Å; R533-I537 VanDerWaalsContact O-N 3.12Å; R533-F567 HydrophobicContact CB-CE2 4.4Å; R533-F567 HydrophobicContact CB-CZ 4.3Å; R533-F567 HydrophobicContact CG-CE2 4.48Å; R533-F567 HydrophobicContact CG-CZ 3.9Å |
| 534 | Q | 92.4 | Very high | 85.3 | Confident | 19 Ų | 19 | 50.5 Ų | 50.5 | 9% | 0.089 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.5 | -49.9 | 171.5 | 175 | 162.5 | -69.4 | 0 | 0 | 110.7 | L530 E531 K532 E536 I537 E538 I566 F567 D608 | L530-Q534 VanDerWaalsContact O-CB 3.25Å; L530-Q534 WeakPolarHBondContact O-CB 3.33Å; L530-Q534 PolarHBondContact O-N 3.04Å; E531-Q534 PolarHBondContact O-N 3.31Å; K532-Q534 VanDerWaalsContact C-N 3.31Å; K532-Q534 PolarHBondContact O-N 2.93Å; Q534-E536 VanDerWaalsContact C-N 3.33Å; Q534-E536 PolarHBondContact O-N 3.26Å; Q534-I537 PolarHBondContact O-N 3.36Å; Q534-E538 VanDerWaalsContact CG-OE1 3.31Å; Q534-E538 WeakPolarHBondContact CG-OE1 3.37Å; Q534-E538 PolarHBondContact O-N 3.49Å; Q534-I566 HydrophobicContact CG-CB 4.16Å; Q534-I566 HydrophobicContact CG-CD1 3.99Å; Q534-I566 HydrophobicContact CG-CG1 3.94Å; Q534-F567 HydrophobicContact CB-CE2 4.11Å; Q534-D608 PolarHBondContact NE2-O 2.9Å; Q534-D608 VanDerWaalsContact NE2-O 3.12Å |
| 535 | A | 90.5 | Very high | 83 | Confident | 54 Ų | 54 | 54 Ų | 54 | 45% | 0.446 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.5 | -34.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E531 K532 A539 | E531-A535 PolarHBondContact O-N 3.29Å; K532-A535 PolarHBondContact O-N 3.3Å; A535-A539 WeakPolarHBondContact O-CB 3.26Å; A535-A539 PolarHBondContact O-N 3.03Å |
| 536 | E | 88 | Confident | 80.4 | Confident | 48 Ų | 48 | 63.4 Ų | 63.4 | 22% | 0.224 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 172.2 | -74.2 | 169.4 | -172.6 | 0 | 0 | 111.4 | K532 R533 Q534 A539 E540 | K532-E536 WeakPolarHBondContact CE-OE1 3.44Å; K532-E536 IonicContact NZ-OE1 3.42Å; K532-E536 WeakPolarHBondContact O-CG 3.19Å; K532-E536 PolarHBondContact O-N 3.45Å; R533-E536 WeakPolarHBondContact CD-OE2 3.45Å; R533-E536 IonicContact NH1-OE2 3.93Å; R533-E536 PolarHBondContact O-N 3.14Å; Q534-E536 VanDerWaalsContact C-N 3.33Å; Q534-E536 PolarHBondContact O-N 3.26Å; E536-A539 PolarHBondContact O-N 3.41Å; E536-E540 WeakPolarHBondContact O-CG 3.49Å; E536-E540 PolarHBondContact O-N 3.13Å |
| 537 | I | 85.6 | Confident | 77.7 | Confident | 16 Ų | 16 | 68.3 Ų | 68.3 | 8% | 0.082 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.3 | -34.2 | 179.8 | -63.5 | 163.3 | 0 | 0 | 0 | 111.6 | R533 Q534 R541 I566 F567 | R533-I537 HydrophobicContact CG-CD1 4.15Å; R533-I537 WeakPolarHBondContact O-CD1 3.47Å; R533-I537 VanDerWaalsContact O-CG1 3.28Å; R533-I537 WeakPolarHBondContact O-CG1 3.45Å; R533-I537 PolarHBondContact O-N 2.76Å; R533-I537 VanDerWaalsContact O-N 3.12Å; Q534-I537 PolarHBondContact O-N 3.36Å; I537-R541 WeakPolarHBondContact O-CG 3.27Å; I537-R541 PolarHBondContact O-N 3.03Å; I537-R541 VanDerWaalsContact O-N 3.07Å; I537-I566 HydrophobicContact CB-CD1 3.85Å; I537-I566 HydrophobicContact CD1-CG2 4.26Å; I537-I566 HydrophobicContact CG2-CD1 3.69Å; I537-F567 HydrophobicContact CD1-CZ 4.19Å |
| 538 | E | 85.8 | Confident | 74.9 | Confident | 81 Ų | 81 | 72.4 Ų | 72.4 | 38% | 0.379 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 172.2 | -88.8 | 156.5 | -149.9 | 0 | 0 | 112.3 | Q534 E540 R541 C542 I566 | Q534-E538 VanDerWaalsContact CG-OE1 3.31Å; Q534-E538 WeakPolarHBondContact CG-OE1 3.37Å; Q534-E538 PolarHBondContact O-N 3.49Å; E538-E540 VanDerWaalsContact C-N 3.35Å; E538-E540 PolarHBondContact O-N 2.99Å; E538-R541 PolarHBondContact O-N 3.34Å; E538-C542 PolarHBondContact O-N 3.46Å; E538-I566 HydrophobicContact CG-CD1 4.11Å |
| 539 | A | 84.4 | Confident | 72.3 | Confident | 65 Ų | 65 | 78 Ų | 78 | 54% | 0.537 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A535 E536 R541 C542 G543 | A535-A539 WeakPolarHBondContact O-CB 3.26Å; A535-A539 PolarHBondContact O-N 3.03Å; E536-A539 PolarHBondContact O-N 3.41Å; A539-R541 PolarHBondContact O-N 3.47Å; A539-C542 PolarHBondContact O-N 3.48Å; A539-G543 PolarHBondContact O-N 3.05Å; A539-G543 VanDerWaalsContact O-N 3.09Å |
| 540 | E | 76.7 | Confident | 69.6 | Low | 129 Ų | 129 | 87.2 Ų | 87.2 | 60% | 0.603 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.7 | -42.7 | 172.8 | -74.4 | 174.7 | 179.3 | 0 | 0 | 111.8 | E536 E538 | E536-E540 WeakPolarHBondContact O-CG 3.49Å; E536-E540 PolarHBondContact O-N 3.13Å; E538-E540 VanDerWaalsContact C-N 3.35Å; E538-E540 PolarHBondContact O-N 2.99Å |
| 541 | R | 71.7 | Confident | 67.1 | Low | 146 Ų | 146 | 96.4 Ų | 96.4 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.3 | -37.9 | 176.7 | -73.1 | 172.8 | 179.8 | -170.6 | 1.2 | 113.5 | I537 E538 A539 | I537-R541 WeakPolarHBondContact O-CG 3.27Å; I537-R541 PolarHBondContact O-N 3.03Å; I537-R541 VanDerWaalsContact O-N 3.07Å; E538-R541 PolarHBondContact O-N 3.34Å; A539-R541 PolarHBondContact O-N 3.47Å |
| 542 | C | 63.9 | Low | 64.3 | Low | 89 Ų | 89 | 96.9 Ų | 96.9 | 60% | 0.601 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71.7 | -32.4 | 178.9 | -76 | 0 | 0 | 0 | 0 | 112.8 | E538 A539 E544 S545 | E538-C542 PolarHBondContact O-N 3.46Å; A539-C542 PolarHBondContact O-N 3.48Å; C542-E544 PolarHBondContact O-N 3.34Å; C542-E544 VanDerWaalsContact O-N 3.14Å; C542-S545 PolarHBondContact O-N 3.28Å |
| 543 | G | 56.5 | Low | 61.9 | Low | 59 Ų | 59 | 99.7 Ų | 99.7 | 61% | 0.608 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -20.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | A539 | A539-G543 PolarHBondContact O-N 3.05Å; A539-G543 VanDerWaalsContact O-N 3.09Å |
| 544 | E | 46.1 | Very low | 59.2 | Low | 150 Ų | 150 | 104.4 Ų | 104.4 | 70% | 0.701 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -6.3 | 177 | -61.9 | -163.6 | 125.7 | 0 | 0 | 113.9 | H495 C542 | H495-E544 IonicContact CE1-OE2 2.7Å; C542-E544 PolarHBondContact O-N 3.34Å; C542-E544 VanDerWaalsContact O-N 3.14Å |
| 545 | S | 47.3 | Very low | 56.4 | Low | 86 Ų | 86 | 108.5 Ų | 108.5 | 60% | 0.601 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -13.8 | -169 | -153.7 | 0 | 0 | 0 | 0 | 115.2 | C542 A547 | C542-S545 PolarHBondContact O-N 3.28Å; S545-A547 PolarHBondContact O-N 3.42Å |
| 546 | E | 40.3 | Very low | 53.5 | Low | 197 Ų | 197 | 112.1 Ų | 112.1 | 92% | 0.921 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 9 | -177.4 | -68.8 | -158.7 | 129.2 | 0 | 0 | 115.3 | ||
| 547 | A | 40.5 | Very low | 50.7 | Low | 103 Ų | 103 | 113.9 Ų | 113.9 | 85% | 0.851 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -0.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S545 | S545-A547 PolarHBondContact O-N 3.42Š|
| 548 | A | 37.5 | Very low | 48 | Very low | 86 Ų | 86 | 118.8 Ų | 118.8 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -127.4 | 108 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 549 | D | 40 | Very low | 45.5 | Very low | 146 Ų | 146 | 122.8 Ų | 122.8 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | trans | 69.1 | 84.6 | 151 | -136.3 | 0.8 | 0 | 0 | 0 | 120.4 | K551 | D549-K551 VanDerWaalsContact C-N 3.34Å; D549-K551 PolarHBondContact O-N 2.96Å | ||
| 550 | E | 40 | Very low | 43.1 | Very low | 194 Ų | 194 | 125 Ų | 125 | 91% | 0.907 | 77% | 0.774 | S | S | * | * | trans | -66.1 | 89.6 | 150.3 | -91 | -144.3 | 139.3 | 0 | 0 | 110.9 | ||||
| 551 | K | 42 | Very low | 41.5 | Very low | 193 Ų | 193 | 123.1 Ų | 123.1 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | -176.1 | 124.2 | 149.2 | -104.6 | 147.9 | -168 | 165.4 | 0 | 113.5 | D549 | D549-K551 VanDerWaalsContact C-N 3.34Å; D549-K551 PolarHBondContact O-N 2.96Å | ||
| 552 | G | 36.7 | Very low | 40.6 | Very low | 80 Ų | 80 | 121.5 Ų | 121.5 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | 149.9 | 38.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | V554 | G552-V554 PolarHBondContact O-N 2.92Š| ||
| 553 | S | 43.1 | Very low | 40.9 | Very low | 115 Ų | 115 | 122.2 Ų | 122.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -79.6 | 111.3 | 169.1 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 554 | V | 33.6 | Very low | 42.1 | Very low | 136 Ų | 136 | 122.2 Ų | 122.2 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | 178.2 | 108.1 | 113.8 | -84.4 | 0 | 0 | 0 | 0 | 112.3 | G552 | G552-V554 PolarHBondContact O-N 2.92Š| |||
| 555 | A | 33.6 | Very low | 44.1 | Very low | 105 Ų | 105 | 116 Ų | 116 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | trans | -161.2 | 124.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 556 | S | 31.1 | Very low | 46.2 | Very low | 131 Ų | 131 | 112.9 Ų | 112.9 | 92% | 0.916 | 74% | 0.738 | S | S | * | * | trans | -95.6 | 152.7 | -179.1 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 557 | G | 27.9 | Very low | 48.7 | Very low | 84 Ų | 84 | 103.5 Ų | 103.5 | 87% | 0.866 | 69% | 0.694 | S | S | * | * | trans | 96 | 52.9 | 149.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 558 | S | 28.6 | Very low | 51.2 | Low | 120 Ų | 120 | 99 Ų | 99 | 84% | 0.839 | 66% | 0.656 | S | S | * | * | trans | -140.7 | 145.8 | 145.5 | -165.7 | 0 | 0 | 0 | 0 | 109.5 | S560 | S558-S560 PolarHBondContact O-N 3.38Š| ||
| 559 | L | 34 | Very low | 53.8 | Low | 165 Ų | 165 | 101 Ų | 101 | 86% | 0.864 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -66 | 127.6 | 177.1 | -69.9 | 164.2 | 0 | 0 | 0 | 108.8 | A561 | L559-A561 PolarHBondContact O-N 2.9Å; L559-A561 VanDerWaalsContact O-N 3.14Å |
| 560 | S | 34.4 | Very low | 56.3 | Low | 111 Ų | 111 | 94.7 Ų | 94.7 | 78% | 0.776 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 116.7 | 164.3 | 48 | 0 | 0 | 0 | 0 | 108.1 | S558 | S558-S560 PolarHBondContact O-N 3.38Š|
| 561 | A | 42.3 | Very low | 58.9 | Low | 90 Ų | 90 | 85.5 Ų | 85.5 | 74% | 0.744 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 129 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | L559 S563 | L559-A561 PolarHBondContact O-N 2.9Å; L559-A561 VanDerWaalsContact O-N 3.14Å; A561-S563 PolarHBondContact O-N 3.49Å |
| 562 | P | 54.2 | Low | 61.4 | Low | 112 Ų | 112 | 76.8 Ų | 76.8 | 73% | 0.727 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 125.9 | -178.5 | 24.7 | -33.1 | 0 | 0 | 0 | 108.9 | A564 | P562-A564 PolarHBondContact O-N 3.04Š|
| 563 | S | 69 | Low | 64 | Low | 104 Ų | 104 | 76.5 Ų | 76.5 | 73% | 0.727 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 130.2 | 169.6 | 40.4 | 0 | 0 | 0 | 0 | 108.7 | A561 | A561-S563 PolarHBondContact O-N 3.49Š|
| 564 | A | 81.4 | Confident | 66.4 | Low | 59 Ų | 59 | 71.2 Ų | 71.2 | 49% | 0.488 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 135 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | P562 | P562-A564 PolarHBondContact O-N 3.04Š|
| 565 | P | 89.5 | Confident | 69.3 | Low | 18 Ų | 18 | 64.8 Ų | 64.8 | 12% | 0.117 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 144.2 | 175.6 | -28.4 | 36.2 | 0 | 0 | 0 | 111.9 | F567 Q568 D608 V609 | P565-F567 PolarHBondContact O-N 3.39Å; P565-F567 VanDerWaalsContact O-N 3.15Å; P565-Q568 HydrophobicContact CB-CB 4.45Å; P565-Q568 WeakPolarHBondContact O-CB 3.47Å; P565-Q568 PolarHBondContact O-N 3.34Å; P565-D608 WeakPolarHBondContact CB-O 3.48Å; P565-D608 WeakPolarHBondContact CG-O 3.33Å; P565-V609 WeakPolarHBondContact CB-O 2.92Å |
| 566 | I | 90.3 | Very high | 72.1 | Confident | 21 Ų | 21 | 61.7 Ų | 61.7 | 11% | 0.108 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -33.5 | -170.3 | -69 | -171 | 0 | 0 | 0 | 112 | I497 Q534 I537 E538 | I497-I566 HydrophobicContact CD1-CG2 3.59Å; I497-I566 HydrophobicContact CG1-CG2 4.33Å; Q534-I566 HydrophobicContact CG-CB 4.16Å; Q534-I566 HydrophobicContact CG-CD1 3.99Å; Q534-I566 HydrophobicContact CG-CG1 3.94Å; I537-I566 HydrophobicContact CB-CD1 3.85Å; I537-I566 HydrophobicContact CD1-CG2 4.26Å; I537-I566 HydrophobicContact CG2-CD1 3.69Å; E538-I566 HydrophobicContact CG-CD1 4.11Å |
| 567 | F | 93 | Very high | 74.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 8.1 | -178.3 | -57 | -66.9 | 0 | 0 | 0 | 114.2 | V505 L530 R533 Q534 I537 P565 D569 V570 L571 V609 | V505-F567 HydrophobicContact CG1-CD1 4.41Å; V505-F567 HydrophobicContact CG2-CD1 3.68Å; V505-F567 HydrophobicContact CG2-CE1 3.72Å; V505-F567 HydrophobicContact CG2-CG 4.45Å; V505-F567 HydrophobicContact CG2-CZ 4.5Å; L530-F567 HydrophobicContact CB-CD2 4.18Å; L530-F567 HydrophobicContact CB-CE2 4.32Å; L530-F567 HydrophobicContact CD2-CD2 4.41Å; L530-F567 HydrophobicContact CD2-CE2 4.29Å; R533-F567 HydrophobicContact CB-CE2 4.4Å; R533-F567 HydrophobicContact CB-CZ 4.3Å; R533-F567 HydrophobicContact CG-CE2 4.48Å; R533-F567 HydrophobicContact CG-CZ 3.9Å; Q534-F567 HydrophobicContact CB-CE2 4.11Å; I537-F567 HydrophobicContact CD1-CZ 4.19Å; P565-F567 PolarHBondContact O-N 3.39Å; P565-F567 VanDerWaalsContact O-N 3.15Å; F567-D569 VanDerWaalsContact C-N 3.34Å; F567-D569 PolarHBondContact O-N 2.97Å; F567-V570 PolarHBondContact O-N 3.32Å; F567-L571 HydrophobicContact CB-CD1 4.14Å; F567-L571 HydrophobicContact CB-CG 4.31Å; F567-L571 WeakPolarHBondContact O-CB 3.4Å; F567-L571 VanDerWaalsContact O-CG 3.32Å; F567-L571 WeakPolarHBondContact O-CG 3.21Å; F567-L571 PolarHBondContact O-N 2.88Å; F567-V609 HydrophobicContact CB-CG1 4.43Å; F567-V609 HydrophobicContact CD2-CG1 4.15Å |
| 568 | Q | 93.8 | Very high | 77.5 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 4% | 0.042 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -53.2 | -45.8 | -173.9 | -178.8 | 65.9 | 55.7 | 0 | 0 | 113.1 | P565 L572 M614 | P565-Q568 HydrophobicContact CB-CB 4.45Å; P565-Q568 WeakPolarHBondContact O-CB 3.47Å; P565-Q568 PolarHBondContact O-N 3.34Å; Q568-L572 WeakPolarHBondContact O-CB 3.34Å; Q568-L572 PolarHBondContact O-N 3.29Å; Q568-M614 HydrophobicContact CG-CG 4.29Å |
| 569 | D | 91.4 | Very high | 80.5 | Confident | 127 Ų | 127 | 52.3 Ų | 52.3 | 68% | 0.679 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -74.4 | -36.3 | -177.7 | -71 | -37.9 | 0 | 0 | 0 | 112.8 | F567 L572 Q573 | F567-D569 VanDerWaalsContact C-N 3.34Å; F567-D569 PolarHBondContact O-N 2.97Å; D569-L572 WeakPolarHBondContact O-CB 3.49Å; D569-L572 PolarHBondContact O-N 3.42Å; D569-Q573 WeakPolarHBondContact O-CB 3.48Å; D569-Q573 PolarHBondContact O-N 2.99Å |
| 570 | V | 92 | Very high | 83.3 | Confident | 15 Ų | 15 | 45.6 Ų | 45.6 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66 | -43.6 | 176.3 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | D502 V505 F567 L572 Q573 F574 | D502-V570 HydrophobicContact CB-CG1 4.31Å; D502-V570 HydrophobicContact CB-CG2 4.23Å; D502-V570 WeakPolarHBondContact OD1-CG2 3.38Å; V505-V570 HydrophobicContact CB-CG1 4.09Å; V505-V570 HydrophobicContact CG1-CB 4.36Å; V505-V570 HydrophobicContact CG1-CG1 3.76Å; F567-V570 PolarHBondContact O-N 3.32Å; V570-L572 VanDerWaalsContact C-N 3.34Å; V570-Q573 PolarHBondContact O-N 3.43Å; V570-F574 PolarHBondContact O-N 3.49Å |
| 571 | L | 95.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.9 | -35.4 | 175.6 | -67.3 | 173.5 | 0 | 0 | 0 | 111.8 | V505 C509 F567 F574 L575 F601 L604 V609 F610 | V505-L571 HydrophobicContact CG1-CD2 4.42Å; C509-L571 WeakPolarHBondContact SG-CD2 3.34Å; F567-L571 HydrophobicContact CB-CD1 4.14Å; F567-L571 HydrophobicContact CB-CG 4.31Å; F567-L571 WeakPolarHBondContact O-CB 3.4Å; F567-L571 VanDerWaalsContact O-CG 3.32Å; F567-L571 WeakPolarHBondContact O-CG 3.21Å; F567-L571 PolarHBondContact O-N 2.88Å; L571-F574 PolarHBondContact O-N 2.92Å; L571-L575 WeakPolarHBondContact O-CG 3.38Å; L571-L575 PolarHBondContact O-N 3.43Å; L571-F601 HydrophobicContact CB-CE1 4.42Å; L571-F601 HydrophobicContact CB-CZ 4.42Å; L571-F601 HydrophobicContact CD2-CZ 4.4Å; L571-L604 HydrophobicContact CD1-CD1 4.17Å; L571-L604 HydrophobicContact CD1-CD2 4.42Å; L571-L604 HydrophobicContact CD2-CD1 3.96Å; L571-V609 HydrophobicContact CD1-CG1 4.09Å; L571-F610 HydrophobicContact CB-CD2 3.67Å; L571-F610 HydrophobicContact CB-CE2 3.93Å; L571-F610 HydrophobicContact CD1-CB 4.01Å; L571-F610 HydrophobicContact CD1-CD2 3.9Å; L571-F610 HydrophobicContact CD1-CG 4.4Å; L571-F610 HydrophobicContact CG-CD2 4.45Å |
| 572 | L | 93.5 | Very high | 88 | Confident | 10 Ų | 10 | 39.1 Ų | 39.1 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 171.1 | -164.8 | 81.8 | 0 | 0 | 0 | 111.3 | Q568 D569 V570 F574 L575 D576 Y615 T618 | Q568-L572 WeakPolarHBondContact O-CB 3.34Å; Q568-L572 PolarHBondContact O-N 3.29Å; D569-L572 WeakPolarHBondContact O-CB 3.49Å; D569-L572 PolarHBondContact O-N 3.42Å; V570-L572 VanDerWaalsContact C-N 3.34Å; L572-F574 VanDerWaalsContact C-N 3.31Å; L572-F574 PolarHBondContact O-N 3.25Å; L572-L575 CarbonylContact O-C 3.32Å; L572-L575 WeakPolarHBondContact O-CA 3.5Å; L572-L575 WeakPolarHBondContact O-CB 3.5Å; L572-L575 PolarHBondContact O-N 2.73Å; L572-L575 VanDerWaalsContact O-N 3.11Å; L572-D576 VanDerWaalsContact O-CG 3.22Å; L572-D576 PolarHBondContact O-N 2.84Å; L572-Y615 HydrophobicContact CD1-CD2 3.64Å; L572-Y615 HydrophobicContact CD1-CE2 4.22Å; L572-T618 HydrophobicContact CD2-CG2 3.82Å |
| 573 | Q | 92.3 | Very high | 89.6 | Confident | 75 Ų | 75 | 38.1 Ų | 38.1 | 35% | 0.35 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.8 | -35.9 | 177.7 | -176 | 169.1 | 7.8 | 0 | 0 | 112.4 | D569 V570 D576 T577 | D569-Q573 WeakPolarHBondContact O-CB 3.48Å; D569-Q573 PolarHBondContact O-N 2.99Å; V570-Q573 PolarHBondContact O-N 3.43Å; Q573-D576 PolarHBondContact O-N 3.2Å; Q573-T577 PolarHBondContact O-N 3.45Å; Q573-T577 PolarHBondContact O-OG1 3.46Å |
| 574 | F | 94 | Very high | 90.2 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.7 | -47.6 | 169.8 | 179 | -98.4 | 0 | 0 | 0 | 111.2 | C509 E510 V513 V570 L571 L572 D576 T577 Q578 A579 L597 F601 | C509-F574 HydrophobicContact CB-CD1 3.99Å; C509-F574 HydrophobicContact CB-CD2 3.84Å; C509-F574 HydrophobicContact CB-CE1 3.8Å; C509-F574 HydrophobicContact CB-CE2 3.67Å; C509-F574 HydrophobicContact CB-CG 4.02Å; C509-F574 HydrophobicContact CB-CZ 3.64Å; E510-F574 HydrophobicContact CG-CE2 3.89Å; V513-F574 HydrophobicContact CG2-CE1 4.47Å; V513-F574 HydrophobicContact CG2-CZ 4.24Å; V570-F574 PolarHBondContact O-N 3.49Å; L571-F574 PolarHBondContact O-N 2.92Å; L572-F574 VanDerWaalsContact C-N 3.31Å; L572-F574 PolarHBondContact O-N 3.25Å; F574-D576 VanDerWaalsContact C-N 3.32Å; F574-D576 PolarHBondContact O-N 2.7Å; F574-T577 PolarHBondContact O-N 2.87Å; F574-Q578 HydrophobicContact CD2-CB 3.58Å; F574-Q578 HydrophobicContact CD2-CG 4.49Å; F574-Q578 HydrophobicContact CE2-CB 3.75Å; F574-Q578 HydrophobicContact CG-CB 4.41Å; F574-Q578 PolarHBondContact O-N 2.7Å; F574-A579 HydrophobicContact CD1-CB 3.97Å; F574-A579 HydrophobicContact CE1-CB 3.69Å; F574-A579 HydrophobicContact CZ-CB 4.25Å; F574-A579 PolarHBondContact O-N 3.12Å; F574-L597 HydrophobicContact CE1-CD1 3.78Å; F574-F601 HydrophobicContact CD1-CE2 4.23Å; F574-F601 HydrophobicContact CD1-CZ 4.39Å; F574-F601 HydrophobicContact CE1-CE2 4.34Å |
| 575 | L | 94.8 | Very high | 90 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -33.8 | 174.9 | -72 | 177.4 | 0 | 0 | 0 | 113.4 | L571 L572 A579 L597 F601 F610 Y615 R731 Y735 F739 | L571-L575 WeakPolarHBondContact O-CG 3.38Å; L571-L575 PolarHBondContact O-N 3.43Å; L572-L575 CarbonylContact O-C 3.32Å; L572-L575 WeakPolarHBondContact O-CA 3.5Å; L572-L575 WeakPolarHBondContact O-CB 3.5Å; L572-L575 PolarHBondContact O-N 2.73Å; L572-L575 VanDerWaalsContact O-N 3.11Å; L575-A579 HydrophobicContact CD2-CB 4.16Å; L575-L597 HydrophobicContact CD2-CD1 4.45Å; L575-F601 HydrophobicContact CD1-CD1 4.32Å; L575-F601 HydrophobicContact CD1-CE1 3.67Å; L575-F601 HydrophobicContact CD1-CZ 3.9Å; L575-F601 HydrophobicContact CD2-CD2 4.25Å; L575-F601 HydrophobicContact CD2-CE1 4.12Å; L575-F601 HydrophobicContact CD2-CE2 3.69Å; L575-F601 HydrophobicContact CD2-CZ 3.62Å; L575-F601 HydrophobicContact CG-CE1 3.94Å; L575-F601 HydrophobicContact CG-CE2 4.2Å; L575-F601 HydrophobicContact CG-CZ 3.6Å; L575-F610 HydrophobicContact CD1-CE1 4.38Å; L575-F610 HydrophobicContact CD1-CE2 4.16Å; L575-F610 HydrophobicContact CD1-CZ 3.61Å; L575-Y615 HydrophobicContact CD1-CD2 4.18Å; L575-Y615 HydrophobicContact CD1-CE2 3.82Å; L575-R731 PolarHBondContact O-NE 3.43Å; L575-R731 PolarHBondContact O-NH2 3.34Å; L575-Y735 HydrophobicContact CD2-CD2 4Å; L575-Y735 HydrophobicContact CD2-CE2 4.14Å; L575-Y735 HydrophobicContact CD2-CG 4.47Å; L575-Y735 WeakPolarHBondContact O-CE2 3.15Å; L575-F739 HydrophobicContact CD1-CE2 4.07Å; L575-F739 HydrophobicContact CD2-CE2 3.79Å; L575-F739 HydrophobicContact CD2-CZ 3.68Å |
| 576 | D | 91.3 | Very high | 89.5 | Confident | 40 Ų | 40 | 45.8 Ų | 45.8 | 21% | 0.214 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.9 | -38.4 | 177.7 | -70.5 | -16.7 | 0 | 0 | 0 | 112.1 | L572 Q573 F574 R622 R731 H732 | L572-D576 VanDerWaalsContact O-CG 3.22Å; L572-D576 PolarHBondContact O-N 2.84Å; Q573-D576 PolarHBondContact O-N 3.2Å; F574-D576 VanDerWaalsContact C-N 3.32Å; F574-D576 PolarHBondContact O-N 2.7Å; D576-R622 IonicContact OD1-CZ 3.47Å; D576-R622 IonicContact OD1-NH1 2.59Å; D576-R622 PolarHBondContact OD1-NH1 3.35Å; D576-R622 IonicContact OD1-NH2 3.97Å; D576-R622 IonicContact OD2-CZ 3.55Å; D576-R622 IonicContact OD2-NH1 3.41Å; D576-R622 PolarHBondContact OD2-NH1 3.3Å; D576-R622 IonicContact OD2-NH2 2.76Å; D576-R622 PolarHBondContact OD2-NH2 3.04Å; D576-R731 PolarHBondContact O-NE 3.06Å; D576-R731 PolarHBondContact O-NH1 3.47Å; D576-H732 IonicContact OD1-CE1 3.49Å; D576-H732 PolarHBondContact OD1-CE1 3.18Å; D576-H732 VanDerWaalsContact OD1-CE1 3.3Å; D576-H732 IonicContact OD1-NE2 2.85Å; D576-H732 PolarHBondContact OD1-NE2 2.86Å |
| 577 | T | 87.1 | Confident | 89.1 | Confident | 75 Ų | 75 | 46.5 Ų | 46.5 | 46% | 0.46 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -123.1 | -38.9 | -163 | 63.3 | 0 | 0 | 0 | 0 | 116.4 | Q573 F574 | Q573-T577 PolarHBondContact O-N 3.45Å; Q573-T577 PolarHBondContact O-OG1 3.46Å; F574-T577 PolarHBondContact O-N 2.87Å |
| 578 | Q | 86 | Confident | 88.5 | Confident | 59 Ų | 59 | 53.9 Ų | 53.9 | 28% | 0.276 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -29.2 | -167.1 | -69.8 | 176.3 | 15.9 | 0 | 0 | 114.1 | F574 | F574-Q578 HydrophobicContact CD2-CB 3.58Å; F574-Q578 HydrophobicContact CD2-CG 4.49Å; F574-Q578 HydrophobicContact CE2-CB 3.75Å; F574-Q578 HydrophobicContact CG-CB 4.41Å; F574-Q578 PolarHBondContact O-N 2.7Å |
| 579 | A | 91.6 | Very high | 87.9 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 3% | 0.033 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -60.5 | 142 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F574 L575 L597 R731 Y735 | F574-A579 HydrophobicContact CD1-CB 3.97Å; F574-A579 HydrophobicContact CE1-CB 3.69Å; F574-A579 HydrophobicContact CZ-CB 4.25Å; F574-A579 PolarHBondContact O-N 3.12Å; L575-A579 HydrophobicContact CD2-CB 4.16Å; A579-L597 HydrophobicContact CB-CD1 3.9Å; A579-L597 HydrophobicContact CB-CD2 3.97Å; A579-R731 PolarHBondContact O-NH2 3.13Å; A579-Y735 PolarHBondContact O-OH 3.17Å |
| 580 | P | 91.4 | Very high | 87.7 | Confident | 25 Ų | 25 | 51.7 Ų | 51.7 | 16% | 0.162 | 27% | 0.272 | C | S | . | . | trans | -71.7 | 150.2 | 176.6 | 31.7 | -37.5 | 0 | 0 | 0 | 111.4 | V513 E593 L597 Y735 | V513-P580 HydrophobicContact CG1-CG 3.56Å; P580-E593 HydrophobicContact CB-CB 4.29Å; P580-E593 HydrophobicContact CG-CB 4.12Å; P580-L597 HydrophobicContact CG-CB 4.26Å; P580-L597 HydrophobicContact CG-CD2 4.27Å; P580-L597 WeakPolarHBondContact O-CD2 3.03Å; P580-Y735 VanDerWaalsContact O-CE1 3.27Å; P580-Y735 WeakPolarHBondContact O-CE1 3.36Å; P580-Y735 PolarHBondContact O-OH 3.33Å | ||
| 581 | M | 88.1 | Confident | 87.5 | Confident | 53 Ų | 53 | 55.5 Ų | 55.5 | 26% | 0.261 | 29% | 0.285 | S | S | . | . | trans | -127.8 | 166.9 | 169.9 | 70.7 | -164.9 | 77.3 | 0 | 0 | 108.6 | T583 E590 R731 | M581-T583 HydrophobicContact CG-CG2 3.74Å; M581-T583 HydrophobicContact SD-CG2 4.43Å; M581-E590 VanDerWaalsContact O-CG 3.3Å; M581-E590 WeakPolarHBondContact O-CG 3.42Å; M581-E590 VanDerWaalsContact O-OE1 3.07Å; M581-R731 HydrophobicContact CB-CB 4.3Å; M581-R731 HydrophobicContact CE-CB 3.74Å; M581-R731 HydrophobicContact CE-CG 4.5Å; M581-R731 HydrophobicContact SD-CB 3.92Å | ||
| 582 | L | 88.9 | Confident | 87.2 | Confident | 12 Ų | 12 | 57.7 Ų | 57.7 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | trans | -84.5 | 121.5 | 176.7 | -64.1 | 175 | 0 | 0 | 0 | 110.2 | F594 Y727 Q734 | L582-F594 HydrophobicContact CD1-CD1 3.93Å; L582-F594 HydrophobicContact CD1-CE1 4.01Å; L582-F594 HydrophobicContact CD1-CG 4.28Å; L582-F594 HydrophobicContact CD1-CZ 4.41Å; L582-F594 HydrophobicContact CD2-CB 3.73Å; L582-F594 HydrophobicContact CD2-CD1 4.16Å; L582-F594 HydrophobicContact CD2-CG 3.9Å; L582-F594 HydrophobicContact CG-CB 4.18Å; L582-F594 HydrophobicContact CG-CD1 3.97Å; L582-F594 HydrophobicContact CG-CD2 4.03Å; L582-F594 HydrophobicContact CG-CE1 4.36Å; L582-F594 HydrophobicContact CG-CE2 4.41Å; L582-F594 HydrophobicContact CG-CG 3.79Å; L582-Y727 HydrophobicContact CB-CD1 3.77Å; L582-Y727 HydrophobicContact CB-CE1 3.67Å; L582-Y727 HydrophobicContact CD2-CE1 4.47Å; L582-Y727 HydrophobicContact CG-CE1 4.47Å; L582-Q734 PolarHBondContact O-NE2 3.15Å | ||
| 583 | T | 85.9 | Confident | 87.1 | Confident | 91 Ų | 91 | 59.3 Ų | 59.3 | 56% | 0.558 | 31% | 0.305 | S | S | * | . | trans | -127.9 | -36.2 | 179.1 | 72.4 | 0 | 0 | 0 | 0 | 114.7 | M581 E590 | M581-T583 HydrophobicContact CG-CG2 3.74Å; M581-T583 HydrophobicContact SD-CG2 4.43Å; T583-E590 WeakPolarHBondContact CB-OE1 3.46Å; T583-E590 PolarHBondContact N-OE1 2.94Å; T583-E590 PolarHBondContact N-OE2 2.97Å; T583-E590 VanDerWaalsContact N-OE2 3.14Å; T583-E590 PolarHBondContact OG1-OE1 3.02Å | ||
| 584 | D | 81.8 | Confident | 87.2 | Confident | 69 Ų | 69 | 55.7 Ų | 55.7 | 37% | 0.369 | 29% | 0.288 | S | S | . | . | trans | -116.9 | 116.4 | 171 | -176.4 | -2.1 | 0 | 0 | 0 | 111.4 | R586 S587 E590 | D584-R586 PolarHBondContact O-N 3.49Å; D584-R586 WeakPolarHBondContact OD1-CB 3.35Å; D584-R586 PolarHBondContact OD1-N 3.01Å; D584-S587 WeakPolarHBondContact O-CB 3.11Å; D584-S587 PolarHBondContact O-N 3.48Å; D584-E590 PolarHBondContact N-OE2 3.37Å | ||
| 585 | P | 76.8 | Confident | 87.1 | Confident | 88 Ų | 88 | 58 Ų | 58 | 57% | 0.571 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -5.6 | 175.9 | 25.8 | -34.9 | 0 | 0 | 0 | 115.1 | Y727 | P585-Y727 VanDerWaalsContact CA-CE1 3.46Å; P585-Y727 HydrophobicContact CB-CD1 4.41Å; P585-Y727 HydrophobicContact CB-CD2 4.37Å; P585-Y727 HydrophobicContact CB-CE1 3.89Å; P585-Y727 HydrophobicContact CB-CE2 3.87Å |
| 586 | R | 79.7 | Confident | 87.1 | Confident | 184 Ų | 184 | 59.5 Ų | 59.5 | 69% | 0.694 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -7.2 | 171.6 | -56 | -172 | -176 | 108.2 | 10.1 | 114.2 | D584 E588 | D584-R586 PolarHBondContact O-N 3.49Å; D584-R586 WeakPolarHBondContact OD1-CB 3.35Å; D584-R586 PolarHBondContact OD1-N 3.01Å; R586-E588 PolarHBondContact O-N 3.42Å |
| 587 | S | 83 | Confident | 87.3 | Confident | 36 Ų | 36 | 57.6 Ų | 57.6 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | trans | -84.8 | 89.2 | -177.1 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | D584 S589 E590 R591 | D584-S587 WeakPolarHBondContact O-CB 3.11Å; D584-S587 PolarHBondContact O-N 3.48Å; S587-S589 VanDerWaalsContact C-N 3.25Å; S587-S589 PolarHBondContact O-N 3.46Å; S587-E590 PolarHBondContact O-N 3.25Å; S587-E590 WeakPolarHBondContact OG-CB 3.45Å; S587-E590 PolarHBondContact OG-N 3.03Å; S587-R591 PolarHBondContact O-N 3.43Å | ||
| 588 | E | 79.8 | Confident | 87.7 | Confident | 155 Ų | 155 | 54 Ų | 54 | 72% | 0.724 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -59.8 | -35.9 | -180 | -168.8 | 166.3 | -148.2 | 0 | 0 | 112.1 | R586 R591 V592 | R586-E588 PolarHBondContact O-N 3.42Å; E588-R591 PolarHBondContact O-N 3.23Å; E588-V592 WeakPolarHBondContact O-CG2 3.46Å; E588-V592 PolarHBondContact O-N 3.14Å |
| 589 | S | 82 | Confident | 88.1 | Confident | 60 Ų | 60 | 51.5 Ų | 51.5 | 42% | 0.42 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 175 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | S587 R591 V592 E593 | S587-S589 VanDerWaalsContact C-N 3.25Å; S587-S589 PolarHBondContact O-N 3.46Å; S589-R591 VanDerWaalsContact C-N 3.29Å; S589-R591 PolarHBondContact O-N 2.97Å; S589-V592 PolarHBondContact O-N 2.86Å; S589-E593 WeakPolarHBondContact O-CG 3.31Å; S589-E593 PolarHBondContact O-N 2.95Å |
| 590 | E | 87.1 | Confident | 88.4 | Confident | 30 Ų | 30 | 51.3 Ų | 51.3 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 176.6 | -178.1 | -179 | -133.7 | 0 | 0 | 110.8 | M581 T583 D584 S587 E593 F594 | M581-E590 VanDerWaalsContact O-CG 3.3Å; M581-E590 WeakPolarHBondContact O-CG 3.42Å; M581-E590 VanDerWaalsContact O-OE1 3.07Å; T583-E590 WeakPolarHBondContact CB-OE1 3.46Å; T583-E590 PolarHBondContact N-OE1 2.94Å; T583-E590 PolarHBondContact N-OE2 2.97Å; T583-E590 VanDerWaalsContact N-OE2 3.14Å; T583-E590 PolarHBondContact OG1-OE1 3.02Å; D584-E590 PolarHBondContact N-OE2 3.37Å; S587-E590 PolarHBondContact O-N 3.25Å; S587-E590 WeakPolarHBondContact OG-CB 3.45Å; S587-E590 PolarHBondContact OG-N 3.03Å; E590-E593 PolarHBondContact O-N 3.09Å; E590-F594 WeakPolarHBondContact O-CB 3.43Å; E590-F594 PolarHBondContact O-N 2.96Å |
| 591 | R | 88.1 | Confident | 88.6 | Confident | 96 Ų | 96 | 50.1 Ų | 50.1 | 36% | 0.362 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 173.9 | -168.6 | 177.9 | -174.7 | 178.8 | 1.4 | 112.4 | S587 E588 S589 F595 | S587-R591 PolarHBondContact O-N 3.43Å; E588-R591 PolarHBondContact O-N 3.23Å; S589-R591 VanDerWaalsContact C-N 3.29Å; S589-R591 PolarHBondContact O-N 2.97Å; R591-F595 HydrophobicContact CG-CD2 4.31Å; R591-F595 HydrophobicContact CG-CE1 4.27Å; R591-F595 HydrophobicContact CG-CE2 3.81Å; R591-F595 HydrophobicContact CG-CZ 3.81Å; R591-F595 WeakPolarHBondContact O-CB 3.5Å; R591-F595 WeakPolarHBondContact O-CG 3.37Å; R591-F595 PolarHBondContact O-N 3.17Å |
| 592 | V | 87.7 | Confident | 88.9 | Confident | 45 Ų | 45 | 48.4 Ų | 48.4 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.9 | -45.1 | 174.2 | 168.4 | 0 | 0 | 0 | 0 | 111.2 | E588 S589 F594 F595 N596 | E588-V592 WeakPolarHBondContact O-CG2 3.46Å; E588-V592 PolarHBondContact O-N 3.14Å; S589-V592 PolarHBondContact O-N 2.86Å; V592-F594 PolarHBondContact O-N 3.25Å; V592-F595 PolarHBondContact O-N 2.85Å; V592-N596 VanDerWaalsContact O-CG 3.25Å; V592-N596 PolarHBondContact O-N 3.01Å; V592-N596 PolarHBondContact O-ND2 2.96Å |
| 593 | E | 91.6 | Very high | 89.2 | Confident | 44 Ų | 44 | 48 Ų | 48 | 21% | 0.206 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.8 | -38.2 | 178.8 | -68.5 | -175.1 | 145.7 | 0 | 0 | 111.8 | V513 S514 C515 P580 S589 E590 N596 L597 | V513-E593 HydrophobicContact CG1-CB 4.14Å; S514-E593 VanDerWaalsContact CA-OE1 3.31Å; S514-E593 WeakPolarHBondContact CA-OE1 3.45Å; S514-E593 PolarHBondContact OG-OE1 2.97Å; S514-E593 VanDerWaalsContact OG-OE1 3.06Å; C515-E593 HydrophobicContact CB-CG 3.86Å; C515-E593 PolarHBondContact N-OE1 3.42Å; C515-E593 PolarHBondContact SG-OE1 3.09Å; P580-E593 HydrophobicContact CB-CB 4.29Å; P580-E593 HydrophobicContact CG-CB 4.12Å; S589-E593 WeakPolarHBondContact O-CG 3.31Å; S589-E593 PolarHBondContact O-N 2.95Å; E590-E593 PolarHBondContact O-N 3.09Å; E593-N596 PolarHBondContact O-N 3.41Å; E593-L597 PolarHBondContact O-N 3.38Å |
| 594 | F | 93.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65 | -40.1 | 171.8 | -174.5 | -96.1 | 0 | 0 | 0 | 112.7 | L582 E590 V592 L597 V598 Q734 Y735 H738 | L582-F594 HydrophobicContact CD1-CD1 3.93Å; L582-F594 HydrophobicContact CD1-CE1 4.01Å; L582-F594 HydrophobicContact CD1-CG 4.28Å; L582-F594 HydrophobicContact CD1-CZ 4.41Å; L582-F594 HydrophobicContact CD2-CB 3.73Å; L582-F594 HydrophobicContact CD2-CD1 4.16Å; L582-F594 HydrophobicContact CD2-CG 3.9Å; L582-F594 HydrophobicContact CG-CB 4.18Å; L582-F594 HydrophobicContact CG-CD1 3.97Å; L582-F594 HydrophobicContact CG-CD2 4.03Å; L582-F594 HydrophobicContact CG-CE1 4.36Å; L582-F594 HydrophobicContact CG-CE2 4.41Å; L582-F594 HydrophobicContact CG-CG 3.79Å; E590-F594 WeakPolarHBondContact O-CB 3.43Å; E590-F594 PolarHBondContact O-N 2.96Å; V592-F594 PolarHBondContact O-N 3.25Å; F594-L597 WeakPolarHBondContact O-CB 3.34Å; F594-L597 PolarHBondContact O-N 3.01Å; F594-V598 HydrophobicContact CD1-CG2 4.21Å; F594-V598 HydrophobicContact CE1-CG2 3.9Å; F594-V598 HydrophobicContact CZ-CG2 4.32Å; F594-V598 WeakPolarHBondContact O-CG2 3.42Å; F594-V598 PolarHBondContact O-N 2.93Å; F594-Q734 HydrophobicContact CE2-CB 4.16Å; F594-Q734 HydrophobicContact CZ-CB 4.22Å; F594-Y735 HydrophobicContact CD2-CE1 4.44Å; F594-Y735 AromaticContact CE2-CD1 3.95Å; F594-Y735 HydrophobicContact CE2-CD1 3.95Å; F594-Y735 AromaticContact CE2-CE1 3.97Å; F594-Y735 HydrophobicContact CE2-CE1 3.97Å; F594-H738 HydrophobicContact CE1-CB 4.1Å; F594-H738 AromaticContact CE1-CG 3.87Å; F594-H738 HydrophobicContact CZ-CB 4.08Å |
| 595 | F | 92.7 | Very high | 90.3 | Very high | 52 Ų | 52 | 40.9 Ų | 40.9 | 23% | 0.228 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.1 | -39.5 | 174.5 | -70.5 | -14.3 | 0 | 0 | 0 | 112.3 | R591 V592 L597 V598 L599 H839 L885 | R591-F595 HydrophobicContact CG-CD2 4.31Å; R591-F595 HydrophobicContact CG-CE1 4.27Å; R591-F595 HydrophobicContact CG-CE2 3.81Å; R591-F595 HydrophobicContact CG-CZ 3.81Å; R591-F595 WeakPolarHBondContact O-CB 3.5Å; R591-F595 WeakPolarHBondContact O-CG 3.37Å; R591-F595 PolarHBondContact O-N 3.17Å; V592-F595 PolarHBondContact O-N 2.85Å; F595-L597 VanDerWaalsContact C-N 3.33Å; F595-L597 PolarHBondContact O-N 3.13Å; F595-V598 PolarHBondContact O-N 2.97Å; F595-L599 PolarHBondContact O-N 2.87Å; F595-H839 AromaticContact CD1-NE2 3.71Å; F595-H839 AromaticContact CE1-NE2 3.51Å; F595-L885 HydrophobicContact CB-CD1 3.96Å; F595-L885 HydrophobicContact CG-CD1 4.44Å; F595-L885 WeakPolarHBondContact O-CD1 3.41Å |
| 596 | N | 94.4 | Very high | 91 | Very high | 31 Ų | 31 | 41.7 Ų | 41.7 | 17% | 0.166 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -35.5 | 173.6 | -68 | -20.3 | 0 | 0 | 0 | 112.1 | V513 V592 E593 L599 L600 | V513-N596 VanDerWaalsContact O-CB 3.28Å; V513-N596 WeakPolarHBondContact O-CB 3.43Å; V513-N596 PolarHBondContact O-ND2 2.72Å; V592-N596 VanDerWaalsContact O-CG 3.25Å; V592-N596 PolarHBondContact O-N 3.01Å; V592-N596 PolarHBondContact O-ND2 2.96Å; E593-N596 PolarHBondContact O-N 3.41Å; N596-L599 PolarHBondContact O-N 2.92Å; N596-L600 WeakPolarHBondContact O-CB 3.16Å; N596-L600 PolarHBondContact O-N 3.23Å |
| 597 | L | 96.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.1 | -45.1 | 172.3 | -179.7 | 73.6 | 0 | 0 | 0 | 112.1 | V513 F574 L575 A579 P580 E593 F594 F595 L599 L600 F601 Y735 F739 | V513-L597 HydrophobicContact CG2-CB 4.04Å; V513-L597 HydrophobicContact CG2-CD1 3.87Å; F574-L597 HydrophobicContact CE1-CD1 3.78Å; L575-L597 HydrophobicContact CD2-CD1 4.45Å; A579-L597 HydrophobicContact CB-CD1 3.9Å; A579-L597 HydrophobicContact CB-CD2 3.97Å; P580-L597 HydrophobicContact CG-CB 4.26Å; P580-L597 HydrophobicContact CG-CD2 4.27Å; P580-L597 WeakPolarHBondContact O-CD2 3.03Å; E593-L597 PolarHBondContact O-N 3.38Å; F594-L597 WeakPolarHBondContact O-CB 3.34Å; F594-L597 PolarHBondContact O-N 3.01Å; F595-L597 VanDerWaalsContact C-N 3.33Å; F595-L597 PolarHBondContact O-N 3.13Å; L597-L599 VanDerWaalsContact C-N 3.32Å; L597-L599 PolarHBondContact O-N 2.8Å; L597-L600 PolarHBondContact O-N 3.22Å; L597-F601 HydrophobicContact CD1-CD2 3.71Å; L597-F601 HydrophobicContact CD1-CE2 3.66Å; L597-F601 HydrophobicContact CG-CD2 4.27Å; L597-F601 PolarHBondContact O-N 2.75Å; L597-Y735 HydrophobicContact CD2-CD1 3.84Å; L597-Y735 HydrophobicContact CD2-CE1 3.44Å; L597-Y735 VanDerWaalsContact CD2-CE1 3.44Å; L597-F739 HydrophobicContact CD2-CE1 4.21Å; L597-F739 HydrophobicContact CD2-CZ 4.18Å; L597-F739 HydrophobicContact CG-CE1 4.07Å; L597-F739 HydrophobicContact CG-CZ 4.07Å |
| 598 | V | 95.2 | Very high | 92 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 176.3 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | F594 F595 C602 H738 F739 P740 H839 L885 | F594-V598 HydrophobicContact CD1-CG2 4.21Å; F594-V598 HydrophobicContact CE1-CG2 3.9Å; F594-V598 HydrophobicContact CZ-CG2 4.32Å; F594-V598 WeakPolarHBondContact O-CG2 3.42Å; F594-V598 PolarHBondContact O-N 2.93Å; F595-V598 PolarHBondContact O-N 2.97Å; V598-C602 WeakPolarHBondContact O-CB 3.34Å; V598-C602 PolarHBondContact O-N 2.93Å; V598-H738 HydrophobicContact CG2-CB 3.83Å; V598-F739 HydrophobicContact CG2-CD1 4.25Å; V598-F739 HydrophobicContact CG2-CE1 4.37Å; V598-P740 HydrophobicContact CG1-CG 4.47Å; V598-H839 HydrophobicContact CG1-CB 3.66Å; V598-L885 HydrophobicContact CB-CD1 4.5Å; V598-L885 HydrophobicContact CG1-CD1 4.35Å |
| 599 | L | 95.4 | Very high | 92.7 | Very high | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.4 | -44.5 | 175.2 | 179.8 | 64.7 | 0 | 0 | 0 | 112.2 | R520 A523 F595 N596 L597 F601 C602 E603 L885 I887 | R520-L599 HydrophobicContact CB-CD2 3.96Å; R520-L599 HydrophobicContact CG-CD2 4.4Å; A523-L599 HydrophobicContact CB-CB 4.38Å; A523-L599 HydrophobicContact CB-CD2 3.9Å; A523-L599 HydrophobicContact CB-CG 3.64Å; F595-L599 PolarHBondContact O-N 2.87Å; N596-L599 PolarHBondContact O-N 2.92Å; L597-L599 VanDerWaalsContact C-N 3.32Å; L597-L599 PolarHBondContact O-N 2.8Å; L599-F601 PolarHBondContact O-N 3.49Å; L599-C602 WeakPolarHBondContact O-CB 3.37Å; L599-C602 PolarHBondContact O-N 3.04Å; L599-E603 PolarHBondContact O-N 2.86Å; L599-E603 VanDerWaalsContact O-N 3.11Å; L599-L885 HydrophobicContact CD1-CB 4.37Å; L599-L885 WeakPolarHBondContact CD1-O 3.2Å; L599-I887 HydrophobicContact CD1-CD1 3.85Å; L599-I887 HydrophobicContact CD1-CG1 4.39Å; L599-I887 HydrophobicContact CD2-CD1 3.76Å; L599-I887 HydrophobicContact CG-CD1 4.49Å |
| 600 | L | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.8 | -50.9 | 176.6 | 174 | 62.8 | 0 | 0 | 0 | 111.4 | C509 A512 V513 A523 V526 N596 L597 C602 E603 L604 | C509-L600 HydrophobicContact CB-CD2 4.04Å; A512-L600 HydrophobicContact CB-CD1 3.92Å; A512-L600 HydrophobicContact CB-CD2 4.2Å; A512-L600 HydrophobicContact CB-CG 4.44Å; V513-L600 HydrophobicContact CG2-CD2 3.94Å; A523-L600 HydrophobicContact CB-CB 4.35Å; V526-L600 HydrophobicContact CB-CD1 4Å; V526-L600 HydrophobicContact CG1-CD1 3.79Å; N596-L600 WeakPolarHBondContact O-CB 3.16Å; N596-L600 PolarHBondContact O-N 3.23Å; L597-L600 PolarHBondContact O-N 3.22Å; L600-C602 VanDerWaalsContact C-N 3.35Å; L600-C602 PolarHBondContact O-N 2.79Å; L600-E603 PolarHBondContact O-N 3.36Å; L600-L604 HydrophobicContact CD1-CD1 3.86Å; L600-L604 HydrophobicContact CD1-CG 4.04Å; L600-L604 HydrophobicContact CD2-CD1 4.42Å; L600-L604 HydrophobicContact CG-CD1 3.76Å; L600-L604 HydrophobicContact CG-CG 4.36Å; L600-L604 WeakPolarHBondContact O-CG 3.48Å; L600-L604 PolarHBondContact O-N 3.23Å |
| 601 | F | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71.1 | -28.8 | -179 | -84.9 | -92.3 | 0 | 0 | 0 | 113 | L571 F574 L575 L597 L599 E603 L604 I605 F610 F739 | L571-F601 HydrophobicContact CB-CE1 4.42Å; L571-F601 HydrophobicContact CB-CZ 4.42Å; L571-F601 HydrophobicContact CD2-CZ 4.4Å; F574-F601 HydrophobicContact CD1-CE2 4.23Å; F574-F601 HydrophobicContact CD1-CZ 4.39Å; F574-F601 HydrophobicContact CE1-CE2 4.34Å; L575-F601 HydrophobicContact CD1-CD1 4.32Å; L575-F601 HydrophobicContact CD1-CE1 3.67Å; L575-F601 HydrophobicContact CD1-CZ 3.9Å; L575-F601 HydrophobicContact CD2-CD2 4.25Å; L575-F601 HydrophobicContact CD2-CE1 4.12Å; L575-F601 HydrophobicContact CD2-CE2 3.69Å; L575-F601 HydrophobicContact CD2-CZ 3.62Å; L575-F601 HydrophobicContact CG-CE1 3.94Å; L575-F601 HydrophobicContact CG-CE2 4.2Å; L575-F601 HydrophobicContact CG-CZ 3.6Å; L597-F601 HydrophobicContact CD1-CD2 3.71Å; L597-F601 HydrophobicContact CD1-CE2 3.66Å; L597-F601 HydrophobicContact CG-CD2 4.27Å; L597-F601 PolarHBondContact O-N 2.75Å; L599-F601 PolarHBondContact O-N 3.49Å; F601-E603 VanDerWaalsContact C-N 3.35Å; F601-E603 PolarHBondContact O-N 2.9Å; F601-L604 HydrophobicContact CD1-CD1 4.29Å; F601-L604 HydrophobicContact CD2-CD1 4.43Å; F601-L604 HydrophobicContact CE1-CD1 4.19Å; F601-L604 HydrophobicContact CE2-CD1 4.33Å; F601-L604 HydrophobicContact CG-CD1 4.4Å; F601-L604 HydrophobicContact CZ-CD1 4.21Å; F601-L604 PolarHBondContact O-N 3.42Å; F601-I605 WeakPolarHBondContact O-CB 3.22Å; F601-I605 VanDerWaalsContact O-CD1 3.31Å; F601-I605 WeakPolarHBondContact O-CD1 3.43Å; F601-I605 WeakPolarHBondContact O-CG1 3.31Å; F601-I605 PolarHBondContact O-N 3.25Å; F601-F610 AromaticContact CD1-CD1 3.75Å; F601-F610 HydrophobicContact CD1-CD1 3.75Å; F601-F610 AromaticContact CD1-CE1 3.83Å; F601-F610 HydrophobicContact CD1-CE1 3.83Å; F601-F610 HydrophobicContact CD1-CG 4.09Å; F601-F610 HydrophobicContact CD1-CZ 4.24Å; F601-F610 AromaticContact CE1-CD1 3.96Å; F601-F610 HydrophobicContact CE1-CD1 3.96Å; F601-F610 AromaticContact CE1-CD2 3.91Å; F601-F610 HydrophobicContact CE1-CD2 3.91Å; F601-F610 AromaticContact CE1-CE1 3.92Å; F601-F610 HydrophobicContact CE1-CE1 3.92Å; F601-F610 AromaticContact CE1-CE2 3.86Å; F601-F610 HydrophobicContact CE1-CE2 3.86Å; F601-F610 AromaticContact CE1-CG 3.94Å; F601-F610 HydrophobicContact CE1-CG 3.94Å; F601-F610 AromaticContact CE1-CZ 3.85Å; F601-F610 HydrophobicContact CE1-CZ 3.85Å; F601-F739 HydrophobicContact CB-CD1 4.23Å; F601-F739 HydrophobicContact CB-CD2 3.79Å; F601-F739 HydrophobicContact CB-CE1 4.12Å; F601-F739 HydrophobicContact CB-CE2 3.65Å; F601-F739 HydrophobicContact CB-CG 4.08Å; F601-F739 HydrophobicContact CB-CZ 3.82Å; F601-F739 HydrophobicContact CD1-CD2 4.22Å; F601-F739 AromaticContact CD1-CE2 3.67Å; F601-F739 HydrophobicContact CD1-CE2 3.67Å; F601-F739 HydrophobicContact CD1-CZ 4.29Å; F601-F739 AromaticContact CD2-CE2 3.98Å; F601-F739 HydrophobicContact CD2-CE2 3.98Å; F601-F739 AromaticContact CD2-CZ 3.74Å; F601-F739 HydrophobicContact CD2-CZ 3.74Å; F601-F739 HydrophobicContact CE1-CE2 4.37Å; F601-F739 HydrophobicContact CE2-CZ 4.47Å; F601-F739 HydrophobicContact CG-CD2 4.05Å; F601-F739 HydrophobicContact CG-CE1 4.4Å; F601-F739 AromaticContact CG-CE2 3.44Å; F601-F739 HydrophobicContact CG-CE2 3.44Å; F601-F739 VanDerWaalsContact CG-CE2 3.44Å; F601-F739 AromaticContact CG-CZ 3.65Å; F601-F739 HydrophobicContact CG-CZ 3.65Å |
| 602 | C | 94.5 | Very high | 93.7 | Very high | 18 Ų | 18 | 23.8 Ų | 23.8 | 12% | 0.122 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59 | -45 | 169 | -173.7 | 0 | 0 | 0 | 0 | 112.1 | V598 L599 L600 R606 P740 H843 | V598-C602 WeakPolarHBondContact O-CB 3.34Å; V598-C602 PolarHBondContact O-N 2.93Å; L599-C602 WeakPolarHBondContact O-CB 3.37Å; L599-C602 PolarHBondContact O-N 3.04Å; L600-C602 VanDerWaalsContact C-N 3.35Å; L600-C602 PolarHBondContact O-N 2.79Å; C602-R606 WeakPolarHBondContact O-CB 3.3Å; C602-R606 PolarHBondContact O-N 2.92Å; C602-P740 HydrophobicContact CB-CB 4.39Å; C602-P740 HydrophobicContact CB-CG 3.98Å; C602-H843 VanDerWaalsContact SG-CE1 3.51Å |
| 603 | E | 95.2 | Very high | 93.7 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 1% | 0.014 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -75 | -36 | -180 | -63.6 | -63 | 151.7 | 0 | 0 | 112.2 | A523 M524 A527 L599 L600 F601 I605 R606 H607 S888 | A523-E603 HydrophobicContact CB-CG 4.49Å; M524-E603 HydrophobicContact CG-CG 3.81Å; A527-E603 HydrophobicContact CB-CB 3.69Å; L599-E603 PolarHBondContact O-N 2.86Å; L599-E603 VanDerWaalsContact O-N 3.11Å; L600-E603 PolarHBondContact O-N 3.36Å; F601-E603 VanDerWaalsContact C-N 3.35Å; F601-E603 PolarHBondContact O-N 2.9Å; E603-I605 VanDerWaalsContact C-N 3.34Å; E603-I605 PolarHBondContact O-N 3.47Å; E603-R606 PolarHBondContact O-N 2.94Å; E603-H607 WeakPolarHBondContact O-CB 3.35Å; E603-H607 PolarHBondContact O-CD2 2.97Å; E603-H607 PolarHBondContact O-N 3.46Å; E603-H607 VanDerWaalsContact O-N 3.07Å; E603-S888 VanDerWaalsContact OE1-CB 3.29Å; E603-S888 WeakPolarHBondContact OE1-CB 3.45Å; E603-S888 PolarHBondContact OE1-OG 2.65Å; E603-S888 PolarHBondContact OE2-OG 3.1Å |
| 604 | L | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.5 | -35.1 | 174.1 | -70.1 | 169.2 | 0 | 0 | 0 | 113.1 | A527 L530 L571 L600 F601 V609 F610 | A527-L604 HydrophobicContact CB-CD2 4.28Å; L530-L604 HydrophobicContact CD1-CD2 4.02Å; L571-L604 HydrophobicContact CD1-CD1 4.17Å; L571-L604 HydrophobicContact CD1-CD2 4.42Å; L571-L604 HydrophobicContact CD2-CD1 3.96Å; L600-L604 HydrophobicContact CD1-CD1 3.86Å; L600-L604 HydrophobicContact CD1-CG 4.04Å; L600-L604 HydrophobicContact CD2-CD1 4.42Å; L600-L604 HydrophobicContact CG-CD1 3.76Å; L600-L604 HydrophobicContact CG-CG 4.36Å; L600-L604 WeakPolarHBondContact O-CG 3.48Å; L600-L604 PolarHBondContact O-N 3.23Å; F601-L604 HydrophobicContact CD1-CD1 4.29Å; F601-L604 HydrophobicContact CD2-CD1 4.43Å; F601-L604 HydrophobicContact CE1-CD1 4.19Å; F601-L604 HydrophobicContact CE2-CD1 4.33Å; F601-L604 HydrophobicContact CG-CD1 4.4Å; F601-L604 HydrophobicContact CZ-CD1 4.21Å; F601-L604 PolarHBondContact O-N 3.42Å; L604-V609 HydrophobicContact CB-CB 4.49Å; L604-V609 HydrophobicContact CD2-CB 3.86Å; L604-V609 HydrophobicContact CD2-CG1 3.75Å; L604-V609 HydrophobicContact CD2-CG2 4.41Å; L604-V609 PolarHBondContact O-N 3.24Å; L604-F610 HydrophobicContact CB-CB 4Å; L604-F610 PolarHBondContact O-N 2.68Å; L604-F610 VanDerWaalsContact O-N 3.14Å |
| 605 | I | 93.7 | Very high | 93.6 | Very high | 10 Ų | 10 | 24.3 Ų | 24.3 | 5% | 0.051 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -73.1 | -40.9 | 173.7 | -65.2 | 161.9 | 0 | 0 | 0 | 110.4 | F601 E603 H607 D608 F610 H612 P740 P742 | F601-I605 WeakPolarHBondContact O-CB 3.22Å; F601-I605 VanDerWaalsContact O-CD1 3.31Å; F601-I605 WeakPolarHBondContact O-CD1 3.43Å; F601-I605 WeakPolarHBondContact O-CG1 3.31Å; F601-I605 PolarHBondContact O-N 3.25Å; E603-I605 VanDerWaalsContact C-N 3.34Å; E603-I605 PolarHBondContact O-N 3.47Å; I605-H607 PolarHBondContact O-N 2.87Å; I605-D608 PolarHBondContact O-N 3.05Å; I605-F610 HydrophobicContact CD1-CD1 4.41Å; I605-F610 HydrophobicContact CG1-CD1 3.93Å; I605-F610 WeakPolarHBondContact CG1-O 3.24Å; I605-H612 HydrophobicContact CD1-CB 4.05Å; I605-H612 HydrophobicContact CG1-CB 4.43Å; I605-P740 WeakPolarHBondContact CD1-O 3.41Å; I605-P742 HydrophobicContact CG2-CG 4.21Å |
| 606 | R | 91.3 | Very high | 93.4 | Very high | 106 Ų | 106 | 22 Ų | 22 | 40% | 0.4 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -61.8 | -27.8 | 177.1 | 170.4 | 173.9 | 164.6 | 98.4 | -20.6 | 113.7 | C602 E603 D892 | C602-R606 WeakPolarHBondContact O-CB 3.3Å; C602-R606 PolarHBondContact O-N 2.92Å; E603-R606 PolarHBondContact O-N 2.94Å; R606-D892 IonicContact CZ-OD2 3.75Å; R606-D892 IonicContact NH1-OD2 3.66Å; R606-D892 PolarHBondContact NH1-OD2 2.89Å; R606-D892 IonicContact NH2-OD1 3.33Å; R606-D892 IonicContact NH2-OD2 2.79Å; R606-D892 PolarHBondContact NH2-OD2 3.16Å |
| 607 | H | 92 | Very high | 93.2 | Very high | 29 Ų | 29 | 22.9 Ų | 22.9 | 13% | 0.134 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 17.8 | -177.4 | -78.2 | -76.9 | 0 | 0 | 0 | 113.8 | E531 E603 I605 V609 | E531-H607 HydrophobicContact CB-CB 4.33Å; E531-H607 IonicContact OE1-CE1 2.65Å; E531-H607 IonicContact OE1-CG 2.78Å; E531-H607 IonicContact OE1-ND1 2.7Å; E531-H607 PolarHBondContact OE1-ND1 3.4Å; E531-H607 IonicContact OE2-CE1 2.67Å; E531-H607 IonicContact OE2-ND1 3.52Å; E531-H607 PolarHBondContact OE2-ND1 3.23Å; E603-H607 WeakPolarHBondContact O-CB 3.35Å; E603-H607 PolarHBondContact O-CD2 2.97Å; E603-H607 PolarHBondContact O-N 3.46Å; E603-H607 VanDerWaalsContact O-N 3.07Å; I605-H607 PolarHBondContact O-N 2.87Å; H607-V609 HydrophobicContact CB-CG2 4.14Å; H607-V609 WeakPolarHBondContact O-CG2 3.41Å; H607-V609 PolarHBondContact O-N 3.48Å |
| 608 | D | 92.3 | Very high | 92.9 | Very high | 122 Ų | 122 | 24.5 Ų | 24.5 | 65% | 0.652 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 26.6 | 179.2 | -73.6 | -46.4 | 0 | 0 | 0 | 115.1 | Q534 P565 I605 | Q534-D608 PolarHBondContact NE2-O 2.9Å; Q534-D608 VanDerWaalsContact NE2-O 3.12Å; P565-D608 WeakPolarHBondContact CB-O 3.48Å; P565-D608 WeakPolarHBondContact CG-O 3.33Å; I605-D608 PolarHBondContact O-N 3.05Å |
| 609 | V | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -86.4 | -21.9 | 173.5 | -170.6 | 0 | 0 | 0 | 0 | 110.9 | L530 E531 P565 F567 L571 L604 H607 | L530-V609 HydrophobicContact CB-CG1 3.64Å; L530-V609 HydrophobicContact CB-CG2 4.31Å; L530-V609 HydrophobicContact CD1-CG1 4.21Å; E531-V609 HydrophobicContact CB-CG2 4.1Å; P565-V609 WeakPolarHBondContact CB-O 2.92Å; F567-V609 HydrophobicContact CB-CG1 4.43Å; F567-V609 HydrophobicContact CD2-CG1 4.15Å; L571-V609 HydrophobicContact CD1-CG1 4.09Å; L604-V609 HydrophobicContact CB-CB 4.49Å; L604-V609 HydrophobicContact CD2-CB 3.86Å; L604-V609 HydrophobicContact CD2-CG1 3.75Å; L604-V609 HydrophobicContact CD2-CG2 4.41Å; L604-V609 PolarHBondContact O-N 3.24Å; H607-V609 HydrophobicContact CB-CG2 4.14Å; H607-V609 WeakPolarHBondContact O-CG2 3.41Å; H607-V609 PolarHBondContact O-N 3.48Å |
| 610 | F | 95.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.009 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -142 | 118.5 | 179.2 | -172.9 | -100.3 | 0 | 0 | 0 | 112.4 | L571 L575 F601 L604 I605 H612 Y615 | L571-F610 HydrophobicContact CB-CD2 3.67Å; L571-F610 HydrophobicContact CB-CE2 3.93Å; L571-F610 HydrophobicContact CD1-CB 4.01Å; L571-F610 HydrophobicContact CD1-CD2 3.9Å; L571-F610 HydrophobicContact CD1-CG 4.4Å; L571-F610 HydrophobicContact CG-CD2 4.45Å; L575-F610 HydrophobicContact CD1-CE1 4.38Å; L575-F610 HydrophobicContact CD1-CE2 4.16Å; L575-F610 HydrophobicContact CD1-CZ 3.61Å; F601-F610 AromaticContact CD1-CD1 3.75Å; F601-F610 HydrophobicContact CD1-CD1 3.75Å; F601-F610 AromaticContact CD1-CE1 3.83Å; F601-F610 HydrophobicContact CD1-CE1 3.83Å; F601-F610 HydrophobicContact CD1-CG 4.09Å; F601-F610 HydrophobicContact CD1-CZ 4.24Å; F601-F610 AromaticContact CE1-CD1 3.96Å; F601-F610 HydrophobicContact CE1-CD1 3.96Å; F601-F610 AromaticContact CE1-CD2 3.91Å; F601-F610 HydrophobicContact CE1-CD2 3.91Å; F601-F610 AromaticContact CE1-CE1 3.92Å; F601-F610 HydrophobicContact CE1-CE1 3.92Å; F601-F610 AromaticContact CE1-CE2 3.86Å; F601-F610 HydrophobicContact CE1-CE2 3.86Å; F601-F610 AromaticContact CE1-CG 3.94Å; F601-F610 HydrophobicContact CE1-CG 3.94Å; F601-F610 AromaticContact CE1-CZ 3.85Å; F601-F610 HydrophobicContact CE1-CZ 3.85Å; L604-F610 HydrophobicContact CB-CB 4Å; L604-F610 PolarHBondContact O-N 2.68Å; L604-F610 VanDerWaalsContact O-N 3.14Å; I605-F610 HydrophobicContact CD1-CD1 4.41Å; I605-F610 HydrophobicContact CG1-CD1 3.93Å; I605-F610 WeakPolarHBondContact CG1-O 3.24Å; F610-H612 PolarHBondContact O-N 3.35Å; F610-Y615 HydrophobicContact CE1-CD1 4.38Å; F610-Y615 HydrophobicContact CE1-CG 4.07Å; F610-Y615 HydrophobicContact CZ-CD1 4.48Å; F610-Y615 HydrophobicContact CZ-CD2 4.01Å; F610-Y615 AromaticContact CZ-CG 3.81Å; F610-Y615 HydrophobicContact CZ-CG 3.81Å |
| 611 | S | 92.4 | Very high | 91.6 | Very high | 29 Ų | 29 | 33.9 Ų | 33.9 | 20% | 0.203 | 19% | 0.185 | C | C | . | . | trans | -84.1 | 112.4 | 176.6 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | N613 M614 Y615 | S611-N613 VanDerWaalsContact C-N 3.32Å; S611-N613 PolarHBondContact O-N 3.38Å; S611-M614 PolarHBondContact O-N 3.06Å; S611-M614 PolarHBondContact OG-N 3.22Å; S611-Y615 PolarHBondContact O-N 3.12Å | ||
| 612 | H | 90.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.009 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.4 | -35.4 | 173.9 | -170.8 | -73.6 | 0 | 0 | 0 | 112.1 | I605 F610 Y615 T616 I741 | I605-H612 HydrophobicContact CD1-CB 4.05Å; I605-H612 HydrophobicContact CG1-CB 4.43Å; F610-H612 PolarHBondContact O-N 3.35Å; H612-Y615 PolarHBondContact O-N 3.01Å; H612-T616 PolarHBondContact CE1-OG1 3.13Å; H612-T616 PolarHBondContact ND1-OG1 3.33Å; H612-T616 WeakPolarHBondContact O-CB 3.46Å; H612-T616 PolarHBondContact O-N 3.42Å; H612-T616 PolarHBondContact O-OG1 2.91Å; H612-I741 HydrophobicContact CB-CG1 4.43Å; H612-I741 WeakPolarHBondContact ND1-CD1 3.29Å |
| 613 | N | 88.6 | Confident | 90.4 | Very high | 34 Ų | 34 | 40.2 Ų | 40.2 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.2 | -45.4 | 170.9 | 177.4 | 85.4 | 0 | 0 | 0 | 112 | S611 Y615 T616 C617 H749 E750 Q753 | S611-N613 VanDerWaalsContact C-N 3.32Å; S611-N613 PolarHBondContact O-N 3.38Å; N613-Y615 PolarHBondContact O-N 3.45Å; N613-T616 PolarHBondContact O-N 3.06Å; N613-C617 PolarHBondContact O-N 3.29Å; N613-C617 PolarHBondContact O-SG 2.95Å; N613-H749 PolarHBondContact OD1-CE1 3.5Å; N613-E750 HydrophobicContact CB-CG 3.99Å; N613-E750 WeakPolarHBondContact CB-OE1 3.43Å; N613-E750 PolarHBondContact N-OE1 2.91Å; N613-E750 VanDerWaalsContact N-OE1 3.14Å; N613-Q753 PolarHBondContact OD1-NE2 2.9Å |
| 614 | M | 90.9 | Very high | 89.3 | Confident | 67 Ų | 67 | 43.1 Ų | 43.1 | 33% | 0.33 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.6 | -41.1 | 179.1 | -160.2 | 61.1 | 65.6 | 0 | 0 | 112.3 | Q568 S611 C617 T618 | Q568-M614 HydrophobicContact CG-CG 4.29Å; S611-M614 PolarHBondContact O-N 3.06Å; S611-M614 PolarHBondContact OG-N 3.22Å; M614-C617 PolarHBondContact O-N 3.31Å; M614-T618 WeakPolarHBondContact O-CB 3.34Å; M614-T618 PolarHBondContact O-N 3.33Å; M614-T618 PolarHBondContact O-OG1 3.09Å |
| 615 | Y | 92 | Very high | 88.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.9 | -49.3 | 170.2 | 174.8 | -124.1 | 0 | 0 | 0 | 111.9 | L572 L575 F610 S611 H612 N613 C617 T618 L619 H732 | L572-Y615 HydrophobicContact CD1-CD2 3.64Å; L572-Y615 HydrophobicContact CD1-CE2 4.22Å; L575-Y615 HydrophobicContact CD1-CD2 4.18Å; L575-Y615 HydrophobicContact CD1-CE2 3.82Å; F610-Y615 HydrophobicContact CE1-CD1 4.38Å; F610-Y615 HydrophobicContact CE1-CG 4.07Å; F610-Y615 HydrophobicContact CZ-CD1 4.48Å; F610-Y615 HydrophobicContact CZ-CD2 4.01Å; F610-Y615 AromaticContact CZ-CG 3.81Å; F610-Y615 HydrophobicContact CZ-CG 3.81Å; S611-Y615 PolarHBondContact O-N 3.12Å; H612-Y615 PolarHBondContact O-N 3.01Å; N613-Y615 PolarHBondContact O-N 3.45Å; Y615-C617 PolarHBondContact O-N 2.67Å; Y615-T618 PolarHBondContact O-N 2.95Å; Y615-T618 VanDerWaalsContact O-N 3.13Å; Y615-L619 HydrophobicContact CD1-CD1 4.32Å; Y615-L619 HydrophobicContact CD2-CD1 4.4Å; Y615-L619 HydrophobicContact CD2-CG 4.33Å; Y615-L619 HydrophobicContact CE1-CD1 3.81Å; Y615-L619 HydrophobicContact CE2-CD1 3.91Å; Y615-L619 HydrophobicContact CE2-CD2 4.08Å; Y615-L619 HydrophobicContact CE2-CG 4.02Å; Y615-L619 WeakPolarHBondContact O-CG 3.31Å; Y615-L619 PolarHBondContact O-N 2.88Å; Y615-H732 AromaticContact CE2-ND1 3.75Å; Y615-H732 AromaticContact CZ-ND1 3.85Å; Y615-H732 PolarHBondContact OH-ND1 3.17Å |
| 616 | T | 89 | Confident | 86.4 | Confident | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.2 | -44.8 | -179.8 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | H612 N613 T618 L619 I620 Q753 V757 | H612-T616 PolarHBondContact CE1-OG1 3.13Å; H612-T616 PolarHBondContact ND1-OG1 3.33Å; H612-T616 WeakPolarHBondContact O-CB 3.46Å; H612-T616 PolarHBondContact O-N 3.42Å; H612-T616 PolarHBondContact O-OG1 2.91Å; N613-T616 PolarHBondContact O-N 3.06Å; T616-T618 VanDerWaalsContact C-N 3.28Å; T616-T618 PolarHBondContact O-N 3.21Å; T616-L619 PolarHBondContact O-N 3.47Å; T616-I620 HydrophobicContact CG2-CD1 4.22Å; T616-I620 VanDerWaalsContact O-CG1 3.3Å; T616-I620 WeakPolarHBondContact O-CG1 3.34Å; T616-I620 PolarHBondContact O-N 3.09Å; T616-I620 VanDerWaalsContact O-N 3.11Å; T616-Q753 HydrophobicContact CG2-CB 4.16Å; T616-V757 HydrophobicContact CG2-CG2 3.85Å |
| 617 | C | 89.1 | Confident | 84.6 | Confident | 49 Ų | 49 | 50.2 Ų | 50.2 | 33% | 0.331 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.2 | -35.9 | 174.4 | -67.6 | 0 | 0 | 0 | 0 | 112.6 | N613 M614 Y615 I620 S621 | N613-C617 PolarHBondContact O-N 3.29Å; N613-C617 PolarHBondContact O-SG 2.95Å; M614-C617 PolarHBondContact O-N 3.31Å; Y615-C617 PolarHBondContact O-N 2.67Å; C617-I620 PolarHBondContact O-N 3.33Å; C617-S621 PolarHBondContact O-N 3.43Å; C617-S621 PolarHBondContact O-OG 2.97Å |
| 618 | T | 89.7 | Confident | 82 | Confident | 34 Ų | 34 | 51.9 Ų | 51.9 | 21% | 0.209 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.9 | -38.4 | 178.8 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | L572 M614 Y615 T616 I620 S621 R622 | L572-T618 HydrophobicContact CD2-CG2 3.82Å; M614-T618 WeakPolarHBondContact O-CB 3.34Å; M614-T618 PolarHBondContact O-N 3.33Å; M614-T618 PolarHBondContact O-OG1 3.09Å; Y615-T618 PolarHBondContact O-N 2.95Å; Y615-T618 VanDerWaalsContact O-N 3.13Å; T616-T618 VanDerWaalsContact C-N 3.28Å; T616-T618 PolarHBondContact O-N 3.21Å; T618-I620 VanDerWaalsContact C-N 3.32Å; T618-I620 PolarHBondContact O-N 3.18Å; T618-S621 PolarHBondContact O-N 3.21Å; T618-S621 PolarHBondContact O-OG 2.63Å; T618-S621 VanDerWaalsContact O-OG 3.06Å; T618-R622 HydrophobicContact CG2-CG 4.35Å; T618-R622 WeakPolarHBondContact O-CB 3.22Å; T618-R622 WeakPolarHBondContact O-CG 3.31Å; T618-R622 PolarHBondContact O-N 3Å |
| 619 | L | 88 | Confident | 79 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 172.7 | -66.3 | 177.1 | 0 | 0 | 0 | 112 | Y615 T616 G623 D624 L625 H732 | Y615-L619 HydrophobicContact CD1-CD1 4.32Å; Y615-L619 HydrophobicContact CD2-CD1 4.4Å; Y615-L619 HydrophobicContact CD2-CG 4.33Å; Y615-L619 HydrophobicContact CE1-CD1 3.81Å; Y615-L619 HydrophobicContact CE2-CD1 3.91Å; Y615-L619 HydrophobicContact CE2-CD2 4.08Å; Y615-L619 HydrophobicContact CE2-CG 4.02Å; Y615-L619 WeakPolarHBondContact O-CG 3.31Å; Y615-L619 PolarHBondContact O-N 2.88Å; T616-L619 PolarHBondContact O-N 3.47Å; L619-G623 PolarHBondContact O-N 3.25Å; L619-D624 HydrophobicContact CD2-CB 4.12Å; L619-D624 PolarHBondContact O-N 3Å; L619-L625 HydrophobicContact CB-CD1 3.85Å; L619-L625 HydrophobicContact CB-CG 4.18Å; L619-L625 HydrophobicContact CD1-CD1 3.99Å; L619-L625 HydrophobicContact CD1-CD2 4.28Å; L619-L625 HydrophobicContact CD1-CG 4.39Å; L619-H732 HydrophobicContact CD1-CB 4.16Å; L619-H732 HydrophobicContact CD2-CB 3.61Å |
| 620 | I | 85.9 | Confident | 76 | Confident | 100 Ų | 100 | 58.9 Ų | 58.9 | 51% | 0.513 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 175 | -65.9 | 164.1 | 0 | 0 | 0 | 110.8 | T616 C617 T618 V757 | T616-I620 HydrophobicContact CG2-CD1 4.22Å; T616-I620 VanDerWaalsContact O-CG1 3.3Å; T616-I620 WeakPolarHBondContact O-CG1 3.34Å; T616-I620 PolarHBondContact O-N 3.09Å; T616-I620 VanDerWaalsContact O-N 3.11Å; C617-I620 PolarHBondContact O-N 3.33Å; T618-I620 VanDerWaalsContact C-N 3.32Å; T618-I620 PolarHBondContact O-N 3.18Å; I620-V757 HydrophobicContact CD1-CG2 3.78Å; I620-V757 HydrophobicContact CG1-CG2 4.03Å |
| 621 | S | 86.5 | Confident | 72.8 | Confident | 99 Ų | 99 | 61.3 Ų | 61.3 | 69% | 0.692 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -74.9 | -29.8 | -177.5 | 70 | 0 | 0 | 0 | 0 | 113.8 | C617 T618 | C617-S621 PolarHBondContact O-N 3.43Å; C617-S621 PolarHBondContact O-OG 2.97Å; T618-S621 PolarHBondContact O-N 3.21Å; T618-S621 PolarHBondContact O-OG 2.63Å; T618-S621 VanDerWaalsContact O-OG 3.06Å |
| 622 | R | 86 | Confident | 70 | Confident | 110 Ų | 110 | 66.1 Ų | 66.1 | 42% | 0.415 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -80.5 | -31.7 | 172.9 | -69 | 177.3 | 175 | -175.1 | -3.3 | 113.5 | D576 T618 D624 | D576-R622 IonicContact OD1-CZ 3.47Å; D576-R622 IonicContact OD1-NH1 2.59Å; D576-R622 PolarHBondContact OD1-NH1 3.35Å; D576-R622 IonicContact OD1-NH2 3.97Å; D576-R622 IonicContact OD2-CZ 3.55Å; D576-R622 IonicContact OD2-NH1 3.41Å; D576-R622 PolarHBondContact OD2-NH1 3.3Å; D576-R622 IonicContact OD2-NH2 2.76Å; D576-R622 PolarHBondContact OD2-NH2 3.04Å; T618-R622 HydrophobicContact CG2-CG 4.35Å; T618-R622 WeakPolarHBondContact O-CB 3.22Å; T618-R622 WeakPolarHBondContact O-CG 3.31Å; T618-R622 PolarHBondContact O-N 3Å; R622-D624 VanDerWaalsContact CB-OD2 3.23Å; R622-D624 WeakPolarHBondContact CB-OD2 3.38Å; R622-D624 WeakPolarHBondContact CD-OD2 3.37Å; R622-D624 IonicContact NH1-OD2 2.8Å |
| 623 | G | 78.9 | Confident | 67 | Low | 41 Ų | 41 | 77.1 Ų | 77.1 | 42% | 0.423 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 16.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L619 L625 A626 | L619-G623 PolarHBondContact O-N 3.25Å; G623-L625 PolarHBondContact O-N 3.43Å; G623-A626 PolarHBondContact O-N 2.76Å |
| 624 | D | 73.1 | Confident | 64.1 | Low | 64 Ų | 64 | 81 Ų | 81 | 34% | 0.342 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -5.2 | -171.7 | -64.8 | -36.2 | 0 | 0 | 0 | 115.1 | L619 R622 | L619-D624 HydrophobicContact CD2-CB 4.12Å; L619-D624 PolarHBondContact O-N 3Å; R622-D624 VanDerWaalsContact CB-OD2 3.23Å; R622-D624 WeakPolarHBondContact CB-OD2 3.38Å; R622-D624 WeakPolarHBondContact CD-OD2 3.37Å; R622-D624 IonicContact NH1-OD2 2.8Å |
| 625 | L | 69.9 | Low | 61.2 | Low | 27 Ų | 27 | 83.7 Ų | 83.7 | 14% | 0.141 | 51% | 0.508 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 8 | -176.7 | -55.9 | 175.1 | 0 | 0 | 0 | 113.4 | L619 G623 F627 H732 V733 V757 | L619-L625 HydrophobicContact CB-CD1 3.85Å; L619-L625 HydrophobicContact CB-CG 4.18Å; L619-L625 HydrophobicContact CD1-CD1 3.99Å; L619-L625 HydrophobicContact CD1-CD2 4.28Å; L619-L625 HydrophobicContact CD1-CG 4.39Å; G623-L625 PolarHBondContact O-N 3.43Å; L625-F627 PolarHBondContact O-N 2.93Å; L625-F627 VanDerWaalsContact O-N 3.15Å; L625-H732 HydrophobicContact CD2-CB 4.08Å; L625-V733 HydrophobicContact CD2-CB 4.41Å; L625-V733 HydrophobicContact CD2-CG2 3.59Å; L625-V757 HydrophobicContact CD1-CG1 3.18Å |
| 626 | A | 58 | Low | 58.2 | Low | 85 Ų | 85 | 88.5 Ų | 88.5 | 70% | 0.702 | 54% | 0.541 | S | S | * | . | trans | -69.8 | 108.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G623 G628 | G623-A626 PolarHBondContact O-N 2.76Å; A626-G628 PolarHBondContact O-N 3.17Å | ||
| 627 | F | 53.3 | Low | 55.5 | Low | 153 Ų | 153 | 94 Ų | 94 | 67% | 0.671 | 58% | 0.577 | S | S | * | * | trans | -69.4 | 67.4 | 173.3 | -69.2 | -84.6 | 0 | 0 | 0 | 112.3 | L625 V733 | L625-F627 PolarHBondContact O-N 2.93Å; L625-F627 VanDerWaalsContact O-N 3.15Å; F627-V733 HydrophobicContact CZ-CG1 3.88Å; F627-V733 HydrophobicContact CZ-CG2 4.26Å | ||
| 628 | G | 38.7 | Very low | 52.6 | Low | 64 Ų | 64 | 100.4 Ų | 100.4 | 66% | 0.66 | 60% | 0.6 | S | S | * | * | trans | -100.4 | 130.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A626 | A626-G628 PolarHBondContact O-N 3.17Š| ||
| 629 | T | 28.4 | Very low | 49.8 | Very low | 132 Ų | 132 | 106.1 Ų | 106.1 | 81% | 0.81 | 63% | 0.629 | S | S | * | * | trans | -55.2 | 150.4 | 161.9 | 41.5 | 0 | 0 | 0 | 0 | 110.7 | G631 | T629-G631 PolarHBondContact O-N 2.97Š| ||
| 630 | P | 31.3 | Very low | 47 | Very low | 138 Ų | 138 | 113.7 Ų | 113.7 | 90% | 0.896 | 67% | 0.67 | S | S | * | * | trans | -72.8 | 70.4 | -178.1 | 31.5 | -36.9 | 0 | 0 | 0 | 112.6 | ||||
| 631 | G | 29 | Very low | 44.4 | Very low | 52 Ų | 52 | 114.9 Ų | 114.9 | 54% | 0.536 | 68% | 0.684 | S | S | . | * | P | Polyproline II helix | trans | -73.9 | 145.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | T629 R633 | T629-G631 PolarHBondContact O-N 2.97Å; G631-R633 PolarHBondContact O-N 3.11Å |
| 632 | P | 32.8 | Very low | 41.9 | Very low | 130 Ų | 130 | 114.8 Ų | 114.8 | 84% | 0.844 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 129.9 | 177.5 | 26.8 | -33.6 | 0 | 0 | 0 | 110 | ||
| 633 | R | 28.3 | Very low | 39.4 | Very low | 233 Ų | 233 | 116.7 Ų | 116.7 | 88% | 0.879 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 142.5 | 167.9 | -72.4 | -177.1 | 179 | 174.1 | -0.9 | 108.8 | G631 | G631-R633 PolarHBondContact O-N 3.11Š|
| 634 | P | 27.6 | Very low | 37.1 | Very low | 116 Ų | 116 | 121.9 Ų | 121.9 | 75% | 0.753 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -61 | 140.3 | 172.2 | 27.5 | -34.3 | 0 | 0 | 0 | 109.6 | ||
| 635 | P | 29.3 | Very low | 35.1 | Very low | 124 Ų | 124 | 123.8 Ų | 123.8 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 141.7 | 178.2 | 28 | -34.3 | 0 | 0 | 0 | 110.7 | ||
| 636 | S | 30.6 | Very low | 33.1 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 141.2 | 166.1 | 52.1 | 0 | 0 | 0 | 0 | 109.8 | F638 | S636-F638 PolarHBondContact O-N 3.33Š|
| 637 | P | 30.2 | Very low | 31.9 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -81.5 | 52.1 | -165.1 | 34.5 | -39 | 0 | 0 | 0 | 114.3 | ||
| 638 | F | 29.3 | Very low | 31 | Very low | 183 Ų | 183 | 136.8 Ų | 136.8 | 80% | 0.803 | 78% | 0.777 | S | S | * | * | trans | -155.7 | 85.7 | 170.3 | -85.2 | -69.8 | 0 | 0 | 0 | 111.3 | S636 | S636-F638 PolarHBondContact O-N 3.33Š| ||
| 639 | D | 30 | Very low | 30.5 | Very low | 154 Ų | 154 | 142 Ų | 142 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | 176.8 | 146.1 | 126.4 | -94.2 | -26.8 | 0 | 0 | 0 | 110.5 | |||||
| 640 | D | 30.7 | Very low | 30.6 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | -77.9 | 137 | -179.3 | -77.8 | -61.6 | 0 | 0 | 0 | 112.5 | ||||
| 641 | P | 30.2 | Very low | 30.6 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -86.2 | 131.5 | 169.8 | 33.4 | -31.2 | 0 | 0 | 0 | 111.5 | ||||
| 642 | A | 35 | Very low | 30.7 | Very low | 97 Ų | 97 | 144.2 Ų | 144.2 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -134.1 | 130.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 643 | D | 32.6 | Very low | 30.6 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -31.8 | 137.7 | -176.3 | -56 | -64.1 | 0 | 0 | 0 | 119 | ||||
| 644 | D | 30.4 | Very low | 30.7 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | -161.3 | 107.6 | 107.5 | -157 | -15.3 | 0 | 0 | 0 | 112.2 | |||||
| 645 | P | 30.8 | Very low | 30.8 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 68% | 0.675 | 80% | 0.796 | S | S | * | * | trans | -124.5 | 102.7 | 179.5 | 36.6 | -21.6 | 0 | 0 | 0 | 114.6 | ||||
| 646 | E | 29.8 | Very low | 30.7 | Very low | 138 Ų | 138 | 137 Ų | 137 | 65% | 0.645 | 79% | 0.79 | S | S | * | * | trans | -125.2 | 95 | 168.9 | -77.9 | -134.9 | 102.2 | 0 | 0 | 114.9 | ||||
| 647 | R | 32.4 | Very low | 30.8 | Very low | 204 Ų | 204 | 141.5 Ų | 141.5 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | 69.3 | 152.1 | 128.6 | -66.2 | 164.6 | 178.1 | 161.9 | -1.5 | 118.6 | |||||
| 648 | K | 33.1 | Very low | 30.9 | Very low | 195 Ų | 195 | 143.1 Ų | 143.1 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | cis | -145.1 | 140.3 | 18.9 | -154.3 | 171.2 | -175.4 | 179.1 | 0 | 113.4 | ||||
| 649 | E | 27.8 | Very low | 31 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -88.2 | 175.4 | 179.7 | -59.8 | 158 | 108.7 | 0 | 0 | 112.9 | ||||
| 650 | A | 31 | Very low | 30.9 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -113.2 | 124.7 | 152.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 651 | E | 32.1 | Very low | 31.4 | Very low | 195 Ų | 195 | 140.8 Ų | 140.8 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | trans | -80.6 | 161.5 | -168.7 | -59.2 | 171.8 | 113.5 | 0 | 0 | 113.7 | ||||
| 652 | G | 31.4 | Very low | 31.3 | Very low | 71 Ų | 71 | 137.8 Ų | 137.8 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | trans | -151.9 | -19.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 653 | S | 30.3 | Very low | 31.2 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | 63.7 | 157.2 | 177.7 | -87.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 654 | S | 31.2 | Very low | 31 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | cis | -152.7 | 171.7 | -0.8 | 47.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 655 | S | 28.1 | Very low | 31 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -88.7 | -167.3 | -172.4 | 69.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 656 | S | 28.7 | Very low | 30.9 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | cis | -175.1 | 149.2 | 9.1 | 24.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 657 | K | 32.1 | Very low | 30.9 | Very low | 196 Ų | 196 | 142 Ų | 142 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | trans | 151.7 | 130.7 | 141.8 | -86.5 | 177.8 | 178.4 | -168.3 | 0 | 110.3 | ||||
| 658 | L | 31.6 | Very low | 30.8 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | 63.1 | 134.5 | 55.4 | -108.9 | 71.1 | 0 | 0 | 0 | 112.9 | |||||
| 659 | E | 31.2 | Very low | 30.7 | Very low | 186 Ų | 186 | 135 Ų | 135 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | cis | -132.6 | -159.6 | 25.9 | -62.8 | 177.9 | 114.9 | 0 | 0 | 114.8 | ||||
| 660 | D | 27.9 | Very low | 30.8 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -132.8 | -149.1 | -143 | -155.7 | 23.2 | 0 | 0 | 0 | 114.8 | ||||
| 661 | P | 41.7 | Very low | 31.2 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | -134.4 | -170.6 | -122.4 | 45.7 | -25.6 | 0 | 0 | 0 | 118.3 | |||||
| 662 | G | 28.7 | Very low | 31.1 | Very low | 63 Ų | 63 | 129.2 Ų | 129.2 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | trans | 170.9 | 117.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 663 | L | 32.1 | Very low | 31 | Very low | 171 Ų | 171 | 130.7 Ų | 130.7 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | 62.5 | 131 | 69.4 | -60.1 | -179.6 | 0 | 0 | 0 | 113.7 | |||||
| 664 | S | 28.5 | Very low | 30.9 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | cis | -172.1 | -174.1 | -3.3 | 47.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 665 | E | 31.4 | Very low | 30.8 | Very low | 189 Ų | 189 | 130.1 Ų | 130.1 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | trans | 92.8 | 170.3 | 159.5 | -144.6 | 155 | -142.6 | 0 | 0 | 118.9 | ||||
| 666 | S | 27.4 | Very low | 30.8 | Very low | 97 Ų | 97 | 132 Ų | 132 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | -149.8 | 179.6 | -144.6 | 56.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 667 | M | 30.3 | Very low | 30.7 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | trans | 75.2 | 149.2 | 174 | -59.2 | 177.6 | 68.1 | 0 | 0 | 115.9 | ||||
| 668 | D | 30.5 | Very low | 30.7 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 61% | 0.61 | 76% | 0.763 | S | S | * | * | cis | -166.9 | 159.2 | -21.4 | -113.7 | -35.8 | 0 | 0 | 0 | 110.7 | ||||
| 669 | I | 30.6 | Very low | 30.5 | Very low | 139 Ų | 139 | 135 Ų | 135 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | 61 | 133.6 | 144.5 | -66.8 | 167.1 | 0 | 0 | 0 | 118.5 | ||||
| 670 | D | 31 | Very low | 30.6 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | -168.3 | 178.5 | 81.7 | -128.4 | -7.8 | 0 | 0 | 0 | 111.9 | |||||
| 671 | P | 37.5 | Very low | 30.8 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | -140.3 | -146.7 | -126.8 | 44 | -20.3 | 0 | 0 | 0 | 116.2 | |||||
| 672 | S | 31.3 | Very low | 30 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | 82.6 | 111.2 | 171.1 | 77.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 673 | S | 29.2 | Very low | 30.5 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | 76.4 | 117.4 | 74.7 | 74.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 674 | S | 27.1 | Very low | 30.3 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | 72.3 | 138.7 | 51.9 | 80.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 675 | V | 29.6 | Very low | 30.3 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | cis | -148.8 | -167.1 | 24.9 | -151.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 676 | L | 29.5 | Very low | 30.1 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | trans | 96.6 | 118.3 | 167.6 | -54.7 | 175.2 | 0 | 0 | 0 | 116 | ||||
| 677 | F | 26.5 | Very low | 30.1 | Very low | 184 Ų | 184 | 139 Ų | 139 | 81% | 0.807 | 74% | 0.744 | S | S | * | * | 69.5 | 133.5 | 73.7 | -85.4 | -98.5 | 0 | 0 | 0 | 112.2 | |||||
| 678 | E | 31.1 | Very low | 30.1 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | -153.1 | 177.7 | 56.3 | -158.2 | 170.2 | 160 | 0 | 0 | 113.6 | |||||
| 679 | D | 28.4 | Very low | 30 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | trans | -66.6 | 179.4 | 168.3 | -87.8 | -70.6 | 0 | 0 | 0 | 111.6 | ||||
| 680 | M | 32.2 | Very low | 30.2 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 74% | 0.739 | 75% | 0.753 | S | S | * | * | cis | -172.8 | 160.3 | 40.8 | -160.8 | 153.9 | 62 | 0 | 0 | 114.3 | ||||
| 681 | E | 31.4 | Very low | 30 | Very low | 171 Ų | 171 | 138 Ų | 138 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | trans | 73.9 | 157 | 153.9 | -91.9 | 164 | -168 | 0 | 0 | 123.2 | ||||
| 682 | K | 25.6 | Very low | 29.8 | Very low | 197 Ų | 197 | 140.2 Ų | 140.2 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | -132.7 | -176.4 | -173.2 | -47.3 | 170.6 | 177.4 | 167.8 | 0 | 108.1 | ||||
| 683 | P | 39 | Very low | 29.7 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | cis | -128.4 | -145.5 | -5.3 | 33.8 | -8.1 | 0 | 0 | 0 | 110.2 | ||||
| 684 | D | 28.8 | Very low | 29.6 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | cis | -162.6 | -165.4 | 0.9 | -140.7 | -37.5 | 0 | 0 | 0 | 112.3 | ||||
| 685 | F | 28.8 | Very low | 29.8 | Very low | 171 Ų | 171 | 146 Ų | 146 | 75% | 0.75 | 77% | 0.771 | S | S | * | * | trans | 11.1 | 137.3 | 160.3 | -75.2 | -95.3 | 0 | 0 | 0 | 120.4 | ||||
| 686 | S | 26.4 | Very low | 29.6 | Very low | 90 Ų | 90 | 143 Ų | 143 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | cis | 178.2 | 137.9 | -12.4 | -110.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 687 | L | 27.9 | Very low | 29.4 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | 169.1 | 148.4 | 135.3 | -112.9 | 53.2 | 0 | 0 | 0 | 114.7 | ||||
| 688 | F | 29.9 | Very low | 29.6 | Very low | 190 Ų | 190 | 140.8 Ų | 140.8 | 83% | 0.833 | 77% | 0.768 | S | S | * | * | trans | 58.4 | 112.2 | 154.8 | -71 | -58.2 | 0 | 0 | 0 | 123.6 | ||||
| 689 | S | 27.7 | Very low | 29.4 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | -73.2 | 173.9 | 128.3 | -30.4 | 0 | 0 | 0 | 0 | 110 | |||||
| 690 | P | 35.9 | Very low | 29.8 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | cis | -130.1 | -161.1 | 15.5 | 38.9 | -15.6 | 0 | 0 | 0 | 112.2 | ||||
| 691 | T | 27.5 | Very low | 29.5 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | -162.2 | 162.4 | 67.8 | 40.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 692 | M | 32.3 | Very low | 30 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | trans | -70.1 | 167.9 | 164 | -62.4 | -85.9 | -76.1 | 0 | 0 | 111.5 | C694 | M692-C694 WeakPolarHBondContact CE-SG 3.38Š| ||
| 693 | P | 28.9 | Very low | 30.3 | Very low | 125 Ų | 125 | 131 Ų | 131 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | -139.6 | 159.1 | 98.2 | 38.6 | -27.8 | 0 | 0 | 0 | 115.2 | |||||
| 694 | C | 27.9 | Very low | 29.9 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | trans | -110.2 | 141.2 | 161.4 | -63.9 | 0 | 0 | 0 | 0 | 109.7 | M692 | M692-C694 WeakPolarHBondContact CE-SG 3.38Š| ||
| 695 | E | 30.7 | Very low | 30.3 | Very low | 203 Ų | 203 | 133.4 Ų | 133.4 | 95% | 0.949 | 77% | 0.771 | S | S | * | * | trans | -139 | 168.8 | 157.2 | -83.2 | -132.6 | 110.2 | 0 | 0 | 109.4 | ||||
| 696 | G | 26.2 | Very low | 30.3 | Very low | 65 Ų | 65 | 132.2 Ų | 132.2 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | trans | -179.5 | 178.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 697 | K | 25.4 | Very low | 30.6 | Very low | 220 Ų | 220 | 133.5 Ų | 133.5 | 96% | 0.957 | 78% | 0.776 | S | S | * | * | trans | 102.1 | 148.5 | -172.9 | -63.7 | -178.5 | 176 | -175.4 | 0 | 114.7 | ||||
| 698 | G | 29.2 | Very low | 30.8 | Very low | 65 Ų | 65 | 133.3 Ų | 133.3 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | trans | 110 | 81.4 | -164.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 699 | S | 28.3 | Very low | 30.8 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | 63.4 | 123.7 | 66.7 | -50.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 700 | P | 35.9 | Very low | 30.9 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | -136.7 | -176.7 | 97.8 | 39.4 | -28.5 | 0 | 0 | 0 | 115.5 | |||||
| 701 | S | 26.2 | Very low | 30.7 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -92.3 | 157.9 | -171.5 | -171.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 702 | P | 41.7 | Very low | 30.7 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | trans | -96.9 | 165.7 | 178.8 | 37.9 | -36.5 | 0 | 0 | 0 | 114.5 | ||||
| 703 | E | 31.3 | Very low | 30.6 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -135.4 | 111.9 | 161.4 | -82.3 | -147.6 | 93.1 | 0 | 0 | 114.4 | ||||
| 704 | K | 30.7 | Very low | 30.7 | Very low | 180 Ų | 180 | 134.9 Ų | 134.9 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | 72.6 | 155.7 | 138.6 | -69.1 | 174.3 | -177.4 | 142.9 | 0 | 122.9 | ||||
| 705 | P | 37.2 | Very low | 30.8 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | trans | -132 | -173.6 | -160.7 | 44.2 | -26.3 | 0 | 0 | 0 | 114.8 | ||||
| 706 | D | 29.1 | Very low | 30.7 | Very low | 145 Ų | 145 | 136 Ų | 136 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | -173.4 | 156.2 | 120.3 | -109.1 | -27.7 | 0 | 0 | 0 | 114.5 | |||||
| 707 | V | 33.5 | Very low | 30.8 | Very low | 117 Ų | 117 | 141 Ų | 141 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | trans | 47.8 | 128.7 | 146.2 | 176.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 708 | E | 31.9 | Very low | 30.8 | Very low | 141 Ų | 141 | 140.7 Ų | 140.7 | 66% | 0.659 | 77% | 0.772 | S | S | * | * | cis | -155.3 | -169.6 | -4.8 | -123.7 | -169.4 | 130.5 | 0 | 0 | 113.1 | ||||
| 709 | K | 29.2 | Very low | 30.8 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 70% | 0.696 | 78% | 0.776 | S | S | * | * | trans | -48.2 | 160.7 | -178.7 | -60.8 | 148.1 | -170.9 | 153 | 0 | 114.9 | ||||
| 710 | D | 30.7 | Very low | 30.9 | Very low | 141 Ų | 141 | 147.3 Ų | 147.3 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | cis | -161.3 | 172.4 | 45.9 | -137.2 | -32.1 | 0 | 0 | 0 | 117.1 | ||||
| 711 | V | 31.4 | Very low | 30.7 | Very low | 126 Ų | 126 | 144 Ų | 144 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | 33.5 | 116 | 168.6 | -167.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 712 | K | 27.1 | Very low | 31.6 | Very low | 198 Ų | 198 | 143 Ų | 143 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | trans | -141.8 | 129 | 162.4 | -159.3 | 171.4 | -170.8 | 170.9 | 0 | 112.1 | ||||
| 713 | P | 30.3 | Very low | 31.7 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 68% | 0.682 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 164.5 | 175.2 | 30.2 | -34.6 | 0 | 0 | 0 | 112.3 | ||
| 714 | P | 30.9 | Very low | 32.8 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 75% | 0.747 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -65 | 155.9 | -171.9 | 25.8 | -35.8 | 0 | 0 | 0 | 113.8 | K716 | P714-K716 PolarHBondContact O-N 3.13Š|
| 715 | P | 30.5 | Very low | 34.2 | Very low | 129 Ų | 129 | 133 Ų | 133 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 120.2 | -177.5 | 29.1 | -34.1 | 0 | 0 | 0 | 111.3 | ||
| 716 | K | 28.4 | Very low | 35.6 | Very low | 200 Ų | 200 | 129.4 Ų | 129.4 | 87% | 0.87 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 149.8 | 157.6 | -78.5 | -163.7 | 167 | -156.7 | 0 | 110.2 | P714 | P714-K716 PolarHBondContact O-N 3.13Š|
| 717 | E | 27.4 | Very low | 37.8 | Very low | 172 Ų | 172 | 124.2 Ų | 124.2 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 136 | -175.9 | -65.7 | 165.8 | 119.3 | 0 | 0 | 111.6 | I719 | E717-I719 HydrophobicContact CB-CG1 4.44Å; E717-I719 PolarHBondContact O-N 3.1Å; E717-I719 VanDerWaalsContact O-N 3.16Å |
| 718 | K | 26 | Very low | 39.8 | Very low | 213 Ų | 213 | 126.1 Ų | 126.1 | 93% | 0.926 | 67% | 0.669 | S | S | * | * | trans | -86.4 | 76 | 175.6 | -79.8 | -169.5 | 168.8 | -169.3 | 0 | 110.8 | ||||
| 719 | I | 30 | Very low | 42.1 | Very low | 147 Ų | 147 | 121.1 Ų | 121.1 | 75% | 0.754 | 65% | 0.646 | S | S | * | * | trans | -120.3 | 49.8 | 169.5 | -44 | -177.4 | 0 | 0 | 0 | 109.6 | E717 | E717-I719 HydrophobicContact CB-CG1 4.44Å; E717-I719 PolarHBondContact O-N 3.1Å; E717-I719 VanDerWaalsContact O-N 3.16Å | ||
| 720 | E | 30.4 | Very low | 44.8 | Very low | 173 Ų | 173 | 116.8 Ų | 116.8 | 81% | 0.808 | 63% | 0.634 | S | S | * | * | trans | -142.4 | 17.1 | -176.3 | -135.1 | 171.5 | -160.9 | 0 | 0 | 111.9 | T722 | E720-T722 PolarHBondContact O-N 3.34Š| ||
| 721 | G | 30.3 | Very low | 47.6 | Very low | 67 Ų | 67 | 112.1 Ų | 112.1 | 69% | 0.691 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 7.3 | -163.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 722 | T | 46.1 | Very low | 50.5 | Low | 94 Ų | 94 | 106.7 Ų | 106.7 | 58% | 0.577 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.7 | -41.1 | -174.3 | -43.5 | 0 | 0 | 0 | 0 | 113 | E720 G724 I725 | E720-T722 PolarHBondContact O-N 3.34Å; T722-G724 PolarHBondContact O-N 2.89Å; T722-I725 PolarHBondContact O-N 2.63Å |
| 723 | L | 44.2 | Very low | 53.5 | Low | 87 Ų | 87 | 97.5 Ų | 97.5 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -40.6 | 179.2 | -91 | 160.4 | 0 | 0 | 0 | 113 | I725 L726 Y727 | L723-I725 PolarHBondContact O-N 3.07Å; L723-I725 VanDerWaalsContact O-N 3.1Å; L723-L726 HydrophobicContact CD2-CD1 4.38Å; L723-L726 PolarHBondContact O-N 3.36Å; L723-Y727 VanDerWaalsContact O-CD2 3.28Å; L723-Y727 WeakPolarHBondContact O-CD2 3.43Å |
| 724 | G | 52.9 | Low | 56.4 | Low | 44 Ų | 44 | 92.6 Ų | 92.6 | 45% | 0.454 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.3 | -24.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | T722 L726 | T722-G724 PolarHBondContact O-N 2.89Å; G724-L726 VanDerWaalsContact C-N 3.28Å; G724-L726 PolarHBondContact O-N 2.94Å |
| 725 | I | 61.3 | Low | 59.4 | Low | 109 Ų | 109 | 87.1 Ų | 87.1 | 56% | 0.559 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -75.3 | -17.1 | -179.5 | -57.4 | 173.8 | 0 | 0 | 0 | 111.6 | T722 L723 Q729 | T722-I725 PolarHBondContact O-N 2.63Å; L723-I725 PolarHBondContact O-N 3.07Å; L723-I725 VanDerWaalsContact O-N 3.1Å; I725-Q729 WeakPolarHBondContact O-CG 3.3Å; I725-Q729 PolarHBondContact O-NE2 3.33Å |
| 726 | L | 66 | Low | 62.3 | Low | 34 Ų | 34 | 81.2 Ų | 81.2 | 18% | 0.178 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -80.3 | -32.7 | 178.5 | -70.4 | 164.7 | 0 | 0 | 0 | 113.1 | L723 G724 Q729 Q734 | L723-L726 HydrophobicContact CD2-CD1 4.38Å; L723-L726 PolarHBondContact O-N 3.36Å; G724-L726 VanDerWaalsContact C-N 3.28Å; G724-L726 PolarHBondContact O-N 2.94Å; L726-Q729 WeakPolarHBondContact O-CB 3.43Å; L726-Q729 PolarHBondContact O-N 2.98Å; L726-Q734 PolarHBondContact O-NE2 2.98Å |
| 727 | Y | 76.2 | Confident | 65.3 | Low | 37 Ų | 37 | 72.6 Ų | 72.6 | 15% | 0.145 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -72.9 | -27.3 | -176.9 | -64.7 | -96.1 | 0 | 0 | 0 | 112.7 | L582 P585 L723 Q729 | L582-Y727 HydrophobicContact CB-CD1 3.77Å; L582-Y727 HydrophobicContact CB-CE1 3.67Å; L582-Y727 HydrophobicContact CD2-CE1 4.47Å; L582-Y727 HydrophobicContact CG-CE1 4.47Å; P585-Y727 VanDerWaalsContact CA-CE1 3.46Å; P585-Y727 HydrophobicContact CB-CD1 4.41Å; P585-Y727 HydrophobicContact CB-CD2 4.37Å; P585-Y727 HydrophobicContact CB-CE1 3.89Å; P585-Y727 HydrophobicContact CB-CE2 3.87Å; L723-Y727 VanDerWaalsContact O-CD2 3.28Å; L723-Y727 WeakPolarHBondContact O-CD2 3.43Å; Y727-Q729 VanDerWaalsContact C-N 3.31Å |
| 728 | D | 74.4 | Confident | 68.4 | Low | 156 Ų | 156 | 65.3 Ų | 65.3 | 83% | 0.834 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -1.1 | 173.3 | -83 | -25.6 | 0 | 0 | 0 | 113.5 | ||
| 729 | Q | 80.6 | Confident | 71.6 | Confident | 37 Ų | 37 | 55.2 Ų | 55.2 | 17% | 0.173 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -88.1 | 142.6 | -176.4 | -77.8 | 171.1 | 44.2 | 0 | 0 | 113.5 | I725 L726 Y727 V733 Q734 | I725-Q729 WeakPolarHBondContact O-CG 3.3Å; I725-Q729 PolarHBondContact O-NE2 3.33Å; L726-Q729 WeakPolarHBondContact O-CB 3.43Å; L726-Q729 PolarHBondContact O-N 2.98Å; Y727-Q729 VanDerWaalsContact C-N 3.31Å; Q729-V733 HydrophobicContact CB-CB 4.32Å; Q729-V733 HydrophobicContact CB-CG1 4.44Å; Q729-V733 HydrophobicContact CG-CG1 4.4Å; Q729-Q734 HydrophobicContact CB-CG 4.08Å; Q729-Q734 PolarHBondContact O-NE2 3.03Å |
| 730 | P | 85.1 | Confident | 74.4 | Confident | 68 Ų | 68 | 48.3 Ų | 48.3 | 44% | 0.442 | 28% | 0.278 | S | S | . | . | trans | -55.9 | 144.1 | 172.6 | -22.9 | 31.7 | 0 | 0 | 0 | 112.9 | H732 V733 Q734 | P730-H732 VanDerWaalsContact C-N 3.3Å; P730-H732 PolarHBondContact O-N 2.91Å; P730-H732 VanDerWaalsContact O-N 3.08Å; P730-V733 HydrophobicContact CB-CG2 4.11Å; P730-V733 HydrophobicContact CG-CG2 4.16Å; P730-V733 WeakPolarHBondContact O-CA 3.35Å; P730-V733 WeakPolarHBondContact O-CB 3.47Å; P730-V733 PolarHBondContact O-N 3.19Å; P730-Q734 PolarHBondContact O-N 2.89Å | ||
| 731 | R | 90.4 | Very high | 77.2 | Confident | 43 Ų | 43 | 40.2 Ų | 40.2 | 16% | 0.162 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -43.8 | -48.1 | -175 | 69.5 | -169.5 | -69.7 | 132.1 | 14.6 | 114.3 | L575 D576 A579 M581 V733 Q734 Y735 | L575-R731 PolarHBondContact O-NE 3.43Å; L575-R731 PolarHBondContact O-NH2 3.34Å; D576-R731 PolarHBondContact O-NE 3.06Å; D576-R731 PolarHBondContact O-NH1 3.47Å; A579-R731 PolarHBondContact O-NH2 3.13Å; M581-R731 HydrophobicContact CB-CB 4.3Å; M581-R731 HydrophobicContact CE-CB 3.74Å; M581-R731 HydrophobicContact CE-CG 4.5Å; M581-R731 HydrophobicContact SD-CB 3.92Å; R731-V733 PolarHBondContact O-N 3.23Å; R731-Q734 WeakPolarHBondContact O-CB 3.39Å; R731-Q734 PolarHBondContact O-N 3.41Å; R731-Y735 HydrophobicContact CB-CE2 3.84Å; R731-Y735 HydrophobicContact CG-CE2 4.09Å; R731-Y735 PolarHBondContact NH2-OH 3.05Å; R731-Y735 VanDerWaalsContact NH2-OH 3.12Å; R731-Y735 WeakPolarHBondContact O-CD1 3.49Å; R731-Y735 VanDerWaalsContact O-CD2 3.26Å; R731-Y735 WeakPolarHBondContact O-CD2 3.42Å; R731-Y735 PolarHBondContact O-N 3.28Å |
| 732 | H | 92.1 | Very high | 79.7 | Confident | 13 Ų | 13 | 38.9 Ų | 38.9 | 6% | 0.06 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.2 | -24.8 | -178.2 | -61.9 | -74.4 | 0 | 0 | 0 | 114.2 | D576 Y615 L619 L625 P730 Y735 A736 | D576-H732 IonicContact OD1-CE1 3.49Å; D576-H732 PolarHBondContact OD1-CE1 3.18Å; D576-H732 VanDerWaalsContact OD1-CE1 3.3Å; D576-H732 IonicContact OD1-NE2 2.85Å; D576-H732 PolarHBondContact OD1-NE2 2.86Å; Y615-H732 AromaticContact CE2-ND1 3.75Å; Y615-H732 AromaticContact CZ-ND1 3.85Å; Y615-H732 PolarHBondContact OH-ND1 3.17Å; L619-H732 HydrophobicContact CD1-CB 4.16Å; L619-H732 HydrophobicContact CD2-CB 3.61Å; L625-H732 HydrophobicContact CD2-CB 4.08Å; P730-H732 VanDerWaalsContact C-N 3.3Å; P730-H732 PolarHBondContact O-N 2.91Å; P730-H732 VanDerWaalsContact O-N 3.08Å; H732-Y735 AromaticContact ND1-CD2 3.92Å; H732-A736 WeakPolarHBondContact O-CB 3.24Å; H732-A736 PolarHBondContact O-N 3.43Å |
| 733 | V | 90 | Very high | 81.4 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.024 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.3 | -43.3 | 170.2 | -172.3 | 0 | 0 | 0 | 0 | 109.6 | L625 F627 Q729 P730 R731 T737 L758 | L625-V733 HydrophobicContact CD2-CB 4.41Å; L625-V733 HydrophobicContact CD2-CG2 3.59Å; F627-V733 HydrophobicContact CZ-CG1 3.88Å; F627-V733 HydrophobicContact CZ-CG2 4.26Å; Q729-V733 HydrophobicContact CB-CB 4.32Å; Q729-V733 HydrophobicContact CB-CG1 4.44Å; Q729-V733 HydrophobicContact CG-CG1 4.4Å; P730-V733 HydrophobicContact CB-CG2 4.11Å; P730-V733 HydrophobicContact CG-CG2 4.16Å; P730-V733 WeakPolarHBondContact O-CA 3.35Å; P730-V733 WeakPolarHBondContact O-CB 3.47Å; P730-V733 PolarHBondContact O-N 3.19Å; R731-V733 PolarHBondContact O-N 3.23Å; V733-T737 WeakPolarHBondContact O-CB 3.32Å; V733-T737 PolarHBondContact O-N 3.33Å; V733-T737 PolarHBondContact O-OG1 3.17Å; V733-L758 HydrophobicContact CG1-CD2 4.27Å |
| 734 | Q | 91.7 | Very high | 83 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.7 | -48 | 174.2 | -55.7 | -173 | 14.2 | 0 | 0 | 110.9 | L582 F594 L726 Q729 P730 R731 T737 H738 | L582-Q734 PolarHBondContact O-NE2 3.15Å; F594-Q734 HydrophobicContact CE2-CB 4.16Å; F594-Q734 HydrophobicContact CZ-CB 4.22Å; L726-Q734 PolarHBondContact O-NE2 2.98Å; Q729-Q734 HydrophobicContact CB-CG 4.08Å; Q729-Q734 PolarHBondContact O-NE2 3.03Å; P730-Q734 PolarHBondContact O-N 2.89Å; R731-Q734 WeakPolarHBondContact O-CB 3.39Å; R731-Q734 PolarHBondContact O-N 3.41Å; Q734-T737 PolarHBondContact O-N 2.7Å; Q734-H738 PolarHBondContact O-CD2 3.47Å; Q734-H738 PolarHBondContact O-N 3.19Å |
| 735 | Y | 93.7 | Very high | 84 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.4 | -51.5 | 179.1 | -55.4 | -28 | 0 | 0 | 0 | 112.5 | L575 A579 P580 F594 L597 R731 H732 T737 H738 F739 | L575-Y735 HydrophobicContact CD2-CD2 4Å; L575-Y735 HydrophobicContact CD2-CE2 4.14Å; L575-Y735 HydrophobicContact CD2-CG 4.47Å; L575-Y735 WeakPolarHBondContact O-CE2 3.15Å; A579-Y735 PolarHBondContact O-OH 3.17Å; P580-Y735 VanDerWaalsContact O-CE1 3.27Å; P580-Y735 WeakPolarHBondContact O-CE1 3.36Å; P580-Y735 PolarHBondContact O-OH 3.33Å; F594-Y735 HydrophobicContact CD2-CE1 4.44Å; F594-Y735 AromaticContact CE2-CD1 3.95Å; F594-Y735 HydrophobicContact CE2-CD1 3.95Å; F594-Y735 AromaticContact CE2-CE1 3.97Å; F594-Y735 HydrophobicContact CE2-CE1 3.97Å; L597-Y735 HydrophobicContact CD2-CD1 3.84Å; L597-Y735 HydrophobicContact CD2-CE1 3.44Å; L597-Y735 VanDerWaalsContact CD2-CE1 3.44Å; R731-Y735 HydrophobicContact CB-CE2 3.84Å; R731-Y735 HydrophobicContact CG-CE2 4.09Å; R731-Y735 PolarHBondContact NH2-OH 3.05Å; R731-Y735 VanDerWaalsContact NH2-OH 3.12Å; R731-Y735 WeakPolarHBondContact O-CD1 3.49Å; R731-Y735 VanDerWaalsContact O-CD2 3.26Å; R731-Y735 WeakPolarHBondContact O-CD2 3.42Å; R731-Y735 PolarHBondContact O-N 3.28Å; H732-Y735 AromaticContact ND1-CD2 3.92Å; Y735-T737 PolarHBondContact O-N 2.97Å; Y735-H738 PolarHBondContact O-N 2.8Å; Y735-H738 VanDerWaalsContact O-N 3.08Å; Y735-F739 HydrophobicContact CD1-CE1 4.14Å; Y735-F739 HydrophobicContact CD1-CZ 4.11Å; Y735-F739 HydrophobicContact CG-CE1 4.3Å; Y735-F739 HydrophobicContact CG-CE2 4.43Å; Y735-F739 AromaticContact CG-CZ 3.94Å; Y735-F739 HydrophobicContact CG-CZ 3.94Å; Y735-F739 WeakPolarHBondContact O-CB 3.39Å; Y735-F739 WeakPolarHBondContact O-CD1 3.3Å; Y735-F739 VanDerWaalsContact O-CG 3.29Å; Y735-F739 WeakPolarHBondContact O-CG 3.29Å; Y735-F739 PolarHBondContact O-N 2.94Å |
| 736 | A | 90.8 | Very high | 84.8 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.4 | -29.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | H732 R754 L758 | H732-A736 WeakPolarHBondContact O-CB 3.24Å; H732-A736 PolarHBondContact O-N 3.43Å; A736-R754 WeakPolarHBondContact O-CD 3.48Å; A736-R754 PolarHBondContact O-NE 3.26Å; A736-L758 HydrophobicContact CB-CD2 4.09Å |
| 737 | T | 91.2 | Very high | 85.5 | Confident | 20 Ų | 20 | 43.6 Ų | 43.6 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.3 | -43 | 172.5 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | V733 Q734 Y735 R754 S838 | V733-T737 WeakPolarHBondContact O-CB 3.32Å; V733-T737 PolarHBondContact O-N 3.33Å; V733-T737 PolarHBondContact O-OG1 3.17Å; Q734-T737 PolarHBondContact O-N 2.7Å; Y735-T737 PolarHBondContact O-N 2.97Å; T737-R754 PolarHBondContact O-NH2 3.43Å; T737-S838 VanDerWaalsContact O-CB 3.23Å; T737-S838 WeakPolarHBondContact O-CB 3.19Å; T737-S838 PolarHBondContact O-OG 3.31Å |
| 738 | H | 93 | Very high | 85.9 | Confident | 19 Ų | 19 | 44.8 Ų | 44.8 | 9% | 0.088 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -97.5 | -27.1 | -170.7 | -75.6 | -97.6 | 0 | 0 | 0 | 116.3 | F594 V598 Q734 Y735 P740 H839 Y840 | F594-H738 HydrophobicContact CE1-CB 4.1Å; F594-H738 AromaticContact CE1-CG 3.87Å; F594-H738 HydrophobicContact CZ-CB 4.08Å; V598-H738 HydrophobicContact CG2-CB 3.83Å; Q734-H738 PolarHBondContact O-CD2 3.47Å; Q734-H738 PolarHBondContact O-N 3.19Å; Y735-H738 PolarHBondContact O-N 2.8Å; Y735-H738 VanDerWaalsContact O-N 3.08Å; H738-P740 WeakPolarHBondContact O-CD 3.19Å; H738-H839 AromaticContact ND1-CD2 3.69Å; H738-H839 WeakPolarHBondContact O-CB 3.26Å; H738-Y840 PolarHBondContact O-N 3.04Å; H738-Y840 VanDerWaalsContact O-N 3.16Å |
| 739 | F | 94.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -64.8 | 121.2 | -175.1 | -73.5 | 4.3 | 0 | 0 | 0 | 112.2 | L575 L597 V598 F601 Y735 | L575-F739 HydrophobicContact CD1-CE2 4.07Å; L575-F739 HydrophobicContact CD2-CE2 3.79Å; L575-F739 HydrophobicContact CD2-CZ 3.68Å; L597-F739 HydrophobicContact CD2-CE1 4.21Å; L597-F739 HydrophobicContact CD2-CZ 4.18Å; L597-F739 HydrophobicContact CG-CE1 4.07Å; L597-F739 HydrophobicContact CG-CZ 4.07Å; V598-F739 HydrophobicContact CG2-CD1 4.25Å; V598-F739 HydrophobicContact CG2-CE1 4.37Å; F601-F739 HydrophobicContact CB-CD1 4.23Å; F601-F739 HydrophobicContact CB-CD2 3.79Å; F601-F739 HydrophobicContact CB-CE1 4.12Å; F601-F739 HydrophobicContact CB-CE2 3.65Å; F601-F739 HydrophobicContact CB-CG 4.08Å; F601-F739 HydrophobicContact CB-CZ 3.82Å; F601-F739 HydrophobicContact CD1-CD2 4.22Å; F601-F739 AromaticContact CD1-CE2 3.67Å; F601-F739 HydrophobicContact CD1-CE2 3.67Å; F601-F739 HydrophobicContact CD1-CZ 4.29Å; F601-F739 AromaticContact CD2-CE2 3.98Å; F601-F739 HydrophobicContact CD2-CE2 3.98Å; F601-F739 AromaticContact CD2-CZ 3.74Å; F601-F739 HydrophobicContact CD2-CZ 3.74Å; F601-F739 HydrophobicContact CE1-CE2 4.37Å; F601-F739 HydrophobicContact CE2-CZ 4.47Å; F601-F739 HydrophobicContact CG-CD2 4.05Å; F601-F739 HydrophobicContact CG-CE1 4.4Å; F601-F739 AromaticContact CG-CE2 3.44Å; F601-F739 HydrophobicContact CG-CE2 3.44Å; F601-F739 VanDerWaalsContact CG-CE2 3.44Å; F601-F739 AromaticContact CG-CZ 3.65Å; F601-F739 HydrophobicContact CG-CZ 3.65Å; Y735-F739 HydrophobicContact CD1-CE1 4.14Å; Y735-F739 HydrophobicContact CD1-CZ 4.11Å; Y735-F739 HydrophobicContact CG-CE1 4.3Å; Y735-F739 HydrophobicContact CG-CE2 4.43Å; Y735-F739 AromaticContact CG-CZ 3.94Å; Y735-F739 HydrophobicContact CG-CZ 3.94Å; Y735-F739 WeakPolarHBondContact O-CB 3.39Å; Y735-F739 WeakPolarHBondContact O-CD1 3.3Å; Y735-F739 VanDerWaalsContact O-CG 3.29Å; Y735-F739 WeakPolarHBondContact O-CG 3.29Å; Y735-F739 PolarHBondContact O-N 2.94Å | ||
| 740 | P | 88.6 | Confident | 86.6 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.013 | 22% | 0.224 | C | C | . | . | trans | -69.8 | 149.7 | 177.4 | -18.8 | 33.1 | 0 | 0 | 0 | 112.5 | V598 C602 I605 H738 H843 | V598-P740 HydrophobicContact CG1-CG 4.47Å; C602-P740 HydrophobicContact CB-CB 4.39Å; C602-P740 HydrophobicContact CB-CG 3.98Å; I605-P740 WeakPolarHBondContact CD1-O 3.41Å; H738-P740 WeakPolarHBondContact O-CD 3.19Å; P740-H843 HydrophobicContact CB-CB 4.26Å; P740-H843 WeakPolarHBondContact CB-ND1 3.26Å | ||
| 741 | I | 88.2 | Confident | 86.7 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | trans | -118.3 | 141.3 | 169.2 | -52.9 | 177.9 | 0 | 0 | 0 | 107.4 | H612 Q743 C747 E750 R754 Y840 | H612-I741 HydrophobicContact CB-CG1 4.43Å; H612-I741 WeakPolarHBondContact ND1-CD1 3.29Å; I741-Q743 PolarHBondContact O-NE2 3.02Å; I741-C747 HydrophobicContact CG2-CB 3.71Å; I741-E750 HydrophobicContact CD1-CB 4.05Å; I741-E750 HydrophobicContact CG2-CB 4.37Å; I741-E750 VanDerWaalsContact CG2-OE2 3.28Å; I741-E750 WeakPolarHBondContact CG2-OE2 3.25Å; I741-R754 HydrophobicContact CD1-CB 4.49Å; I741-Y840 HydrophobicContact CB-CD2 4.32Å; I741-Y840 HydrophobicContact CB-CE2 3.89Å; I741-Y840 HydrophobicContact CD1-CD2 4.42Å; I741-Y840 HydrophobicContact CD1-CE2 3.86Å; I741-Y840 HydrophobicContact CG1-CD2 4Å; I741-Y840 HydrophobicContact CG1-CE2 3.77Å | ||
| 742 | P | 84.1 | Confident | 86.5 | Confident | 40 Ų | 40 | 41 Ų | 41 | 26% | 0.26 | 22% | 0.219 | S | C | . | . | trans | -49 | 141 | 173.6 | -29.2 | 35.7 | 0 | 0 | 0 | 113.1 | I605 E744 C747 | I605-P742 HydrophobicContact CG2-CG 4.21Å; P742-E744 VanDerWaalsContact C-N 3.26Å; P742-E744 PolarHBondContact O-N 2.81Å; P742-C747 VanDerWaalsContact O-CB 3.31Å; P742-C747 WeakPolarHBondContact O-CB 3.44Å | ||
| 743 | Q | 80.1 | Confident | 86.1 | Confident | 40 Ų | 40 | 42.3 Ų | 42.3 | 19% | 0.187 | 23% | 0.226 | C | C | . | . | trans | -96.2 | 39.4 | -173.3 | -61.9 | -63.1 | -68.6 | 0 | 0 | 112.4 | I741 A847 | I741-Q743 PolarHBondContact O-NE2 3.02Å; Q743-A847 HydrophobicContact CB-CB 4.14Å; Q743-A847 HydrophobicContact CG-CB 4.06Å | ||
| 744 | E | 77.9 | Confident | 86.1 | Confident | 137 Ų | 137 | 42.3 Ų | 42.3 | 64% | 0.64 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -96.3 | 160.7 | 176.3 | -64.7 | -177.1 | -168.6 | 0 | 0 | 111.1 | P742 S746 C747 | P742-E744 VanDerWaalsContact C-N 3.26Å; P742-E744 PolarHBondContact O-N 2.81Å; E744-S746 VanDerWaalsContact C-N 3.26Å; E744-S746 VanDerWaalsContact CB-OG 3.27Å; E744-S746 WeakPolarHBondContact CB-OG 3.44Å; E744-S746 PolarHBondContact O-N 3.12Å; E744-S746 PolarHBondContact OE2-OG 2.95Å; E744-C747 PolarHBondContact O-N 3.09Å |
| 745 | E | 74.2 | Confident | 85.9 | Confident | 184 Ų | 184 | 42.6 Ų | 42.6 | 86% | 0.86 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -68.3 | -26.8 | -178.3 | -62.2 | -166.8 | 130.8 | 0 | 0 | 112.7 | S748 | E745-S748 WeakPolarHBondContact O-CB 3.3Å; E745-S748 PolarHBondContact O-N 3.05Å; E745-S748 PolarHBondContact O-OG 2.99Å |
| 746 | S | 77.9 | Confident | 85.6 | Confident | 85 Ų | 85 | 45.8 Ų | 45.8 | 59% | 0.594 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -52.5 | 170.1 | 44.7 | 0 | 0 | 0 | 0 | 112.4 | E744 S748 | E744-S746 VanDerWaalsContact C-N 3.26Å; E744-S746 VanDerWaalsContact CB-OG 3.27Å; E744-S746 WeakPolarHBondContact CB-OG 3.44Å; E744-S746 PolarHBondContact O-N 3.12Å; E744-S746 PolarHBondContact OE2-OG 2.95Å; S746-S748 PolarHBondContact O-N 3.3Å |
| 747 | C | 82.4 | Confident | 85.3 | Confident | 20 Ų | 20 | 47.3 Ų | 47.3 | 14% | 0.135 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 0.7 | -178.2 | -67.7 | 0 | 0 | 0 | 0 | 114.5 | I741 P742 E744 H749 E750 C751 | I741-C747 HydrophobicContact CG2-CB 3.71Å; P742-C747 VanDerWaalsContact O-CB 3.31Å; P742-C747 WeakPolarHBondContact O-CB 3.44Å; E744-C747 PolarHBondContact O-N 3.09Å; C747-H749 PolarHBondContact O-N 3.02Å; C747-E750 PolarHBondContact O-N 3.1Å; C747-E750 VanDerWaalsContact O-N 3.08Å; C747-C751 PolarHBondContact O-N 3.49Å; C747-C751 PolarHBondContact O-SG 3.26Å |
| 748 | S | 82.7 | Confident | 85.1 | Confident | 62 Ų | 62 | 47.4 Ų | 47.4 | 43% | 0.434 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59 | -31 | -177.9 | 65.2 | 0 | 0 | 0 | 0 | 113.4 | E745 S746 N752 | E745-S748 WeakPolarHBondContact O-CB 3.3Å; E745-S748 PolarHBondContact O-N 3.05Å; E745-S748 PolarHBondContact O-OG 2.99Å; S746-S748 PolarHBondContact O-N 3.3Å; S748-N752 PolarHBondContact O-N 3.49Å; S748-N752 PolarHBondContact O-ND2 2.99Å |
| 749 | H | 84.1 | Confident | 84.8 | Confident | 106 Ų | 106 | 49.5 Ų | 49.5 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.6 | -49.1 | 172.8 | 169.6 | -112.6 | 0 | 0 | 0 | 112 | N613 C747 C751 N752 Q753 | N613-H749 PolarHBondContact OD1-CE1 3.5Å; C747-H749 PolarHBondContact O-N 3.02Å; H749-C751 VanDerWaalsContact C-N 3.34Å; H749-C751 PolarHBondContact O-N 2.92Å; H749-N752 WeakPolarHBondContact O-CB 3.14Å; H749-N752 PolarHBondContact O-N 3.48Å; H749-N752 VanDerWaalsContact O-N 3.11Å; H749-Q753 PolarHBondContact CE1-NE2 3.43Å; H749-Q753 PolarHBondContact NE2-NE2 2.71Å; H749-Q753 PolarHBondContact O-N 3.09Å |
| 750 | E | 86.3 | Confident | 84.4 | Confident | 28 Ų | 28 | 51 Ų | 51 | 13% | 0.131 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.8 | -42.1 | -179.9 | -43.6 | -168.2 | 123.3 | 0 | 0 | 111.3 | N613 I741 C747 N752 Q753 R754 | N613-E750 HydrophobicContact CB-CG 3.99Å; N613-E750 WeakPolarHBondContact CB-OE1 3.43Å; N613-E750 PolarHBondContact N-OE1 2.91Å; N613-E750 VanDerWaalsContact N-OE1 3.14Å; I741-E750 HydrophobicContact CD1-CB 4.05Å; I741-E750 HydrophobicContact CG2-CB 4.37Å; I741-E750 VanDerWaalsContact CG2-OE2 3.28Å; I741-E750 WeakPolarHBondContact CG2-OE2 3.25Å; C747-E750 PolarHBondContact O-N 3.1Å; C747-E750 VanDerWaalsContact O-N 3.08Å; E750-N752 VanDerWaalsContact C-N 3.26Å; E750-N752 PolarHBondContact O-N 2.96Å; E750-Q753 PolarHBondContact O-N 3.39Å; E750-Q753 VanDerWaalsContact O-N 3.14Å; E750-R754 PolarHBondContact O-N 3.16Å |
| 751 | C | 86.4 | Confident | 84.2 | Confident | 15 Ų | 15 | 56.8 Ų | 56.8 | 10% | 0.101 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.3 | -34.6 | 175.2 | -64.7 | 0 | 0 | 0 | 0 | 112.4 | C747 H749 L755 Y840 | C747-C751 PolarHBondContact O-N 3.49Å; C747-C751 PolarHBondContact O-SG 3.26Å; H749-C751 VanDerWaalsContact C-N 3.34Å; H749-C751 PolarHBondContact O-N 2.92Å; C751-L755 WeakPolarHBondContact O-CD1 3.27Å; C751-L755 WeakPolarHBondContact O-CG 3.28Å; C751-Y840 WeakPolarHBondContact CB-OH 3.44Å; C751-Y840 PolarHBondContact SG-OH 2.97Å |
| 752 | N | 86.6 | Confident | 84.2 | Confident | 75 Ų | 75 | 58.1 Ų | 58.1 | 40% | 0.401 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -73.7 | -41.9 | 173 | -78.4 | -59.3 | 0 | 0 | 0 | 111.7 | S748 H749 E750 L755 V756 R769 | S748-N752 PolarHBondContact O-N 3.49Å; S748-N752 PolarHBondContact O-ND2 2.99Å; H749-N752 WeakPolarHBondContact O-CB 3.14Å; H749-N752 PolarHBondContact O-N 3.48Å; H749-N752 VanDerWaalsContact O-N 3.11Å; E750-N752 VanDerWaalsContact C-N 3.26Å; E750-N752 PolarHBondContact O-N 2.96Å; N752-L755 PolarHBondContact O-N 3.05Å; N752-V756 WeakPolarHBondContact O-CG2 3.41Å; N752-V756 PolarHBondContact O-N 2.81Å; N752-V756 VanDerWaalsContact O-N 3.11Å; N752-R769 PolarHBondContact OD1-NH2 2.87Å |
| 753 | Q | 85.1 | Confident | 84.3 | Confident | 42 Ų | 42 | 63.5 Ų | 63.5 | 20% | 0.196 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.7 | -52.8 | 175.9 | -72 | -159.6 | 9.9 | 0 | 0 | 111.8 | N613 T616 H749 E750 L755 V756 V757 | N613-Q753 PolarHBondContact OD1-NE2 2.9Å; T616-Q753 HydrophobicContact CG2-CB 4.16Å; H749-Q753 PolarHBondContact CE1-NE2 3.43Å; H749-Q753 PolarHBondContact NE2-NE2 2.71Å; H749-Q753 PolarHBondContact O-N 3.09Å; E750-Q753 PolarHBondContact O-N 3.39Å; E750-Q753 VanDerWaalsContact O-N 3.14Å; Q753-L755 PolarHBondContact O-N 2.72Å; Q753-L755 VanDerWaalsContact O-N 3.16Å; Q753-V756 PolarHBondContact O-N 2.71Å; Q753-V757 WeakPolarHBondContact O-CB 3.47Å; Q753-V757 WeakPolarHBondContact O-CG2 3.23Å; Q753-V757 PolarHBondContact O-N 3.2Å |
| 754 | R | 89.7 | Confident | 84.4 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 1% | 0.011 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -49.5 | -44.4 | 177.7 | 176.4 | -176.9 | 164.7 | -85.8 | 1.5 | 111.8 | A736 T737 I741 E750 V757 L758 S838 D841 | A736-R754 WeakPolarHBondContact O-CD 3.48Å; A736-R754 PolarHBondContact O-NE 3.26Å; T737-R754 PolarHBondContact O-NH2 3.43Å; I741-R754 HydrophobicContact CD1-CB 4.49Å; E750-R754 PolarHBondContact O-N 3.16Å; R754-V757 PolarHBondContact O-N 3.17Å; R754-L758 HydrophobicContact CG-CD1 3.83Å; R754-L758 HydrophobicContact CG-CG 4.46Å; R754-L758 WeakPolarHBondContact O-CB 3.48Å; R754-L758 WeakPolarHBondContact O-CG 3.4Å; R754-L758 PolarHBondContact O-N 3.13Å; R754-S838 PolarHBondContact NH2-OG 3.08Å; R754-D841 IonicContact NH1-OD1 2.71Å |
| 755 | L | 87 | Confident | 84.9 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 5% | 0.052 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.9 | -37.3 | 179.6 | -78.3 | 172.4 | 0 | 0 | 0 | 113.8 | C751 N752 Q753 V757 F759 R765 R769 | C751-L755 WeakPolarHBondContact O-CD1 3.27Å; C751-L755 WeakPolarHBondContact O-CG 3.28Å; N752-L755 PolarHBondContact O-N 3.05Å; Q753-L755 PolarHBondContact O-N 2.72Å; Q753-L755 VanDerWaalsContact O-N 3.16Å; L755-V757 VanDerWaalsContact C-N 3.33Å; L755-F759 HydrophobicContact CD2-CD2 3.76Å; L755-F759 HydrophobicContact CD2-CE2 3.83Å; L755-F759 PolarHBondContact O-N 2.95Å; L755-R765 HydrophobicContact CB-CG 4.04Å; L755-R769 HydrophobicContact CD1-CG 4.25Å; L755-R769 VanDerWaalsContact CD1-NE 3.27Å; L755-R769 VanDerWaalsContact CD1-NH2 3.34Å |
| 756 | V | 87.1 | Confident | 85.6 | Confident | 66 Ų | 66 | 58.9 Ų | 58.9 | 40% | 0.4 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.7 | -34.5 | 174 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | N752 Q753 G760 V761 | N752-V756 WeakPolarHBondContact O-CG2 3.41Å; N752-V756 PolarHBondContact O-N 2.81Å; N752-V756 VanDerWaalsContact O-N 3.11Å; Q753-V756 PolarHBondContact O-N 2.71Å; V756-G760 WeakPolarHBondContact O-CA 3.38Å; V756-G760 PolarHBondContact O-N 3.37Å; V756-V761 HydrophobicContact CG1-CG1 4.34Å; V756-V761 HydrophobicContact CG2-CG1 4.41Å |
| 757 | V | 85.6 | Confident | 86.1 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 22% | 0.224 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73 | -40.1 | 179.8 | 167.2 | 0 | 0 | 0 | 0 | 112.4 | T616 I620 L625 Q753 R754 L755 | T616-V757 HydrophobicContact CG2-CG2 3.85Å; I620-V757 HydrophobicContact CD1-CG2 3.78Å; I620-V757 HydrophobicContact CG1-CG2 4.03Å; L625-V757 HydrophobicContact CD1-CG1 3.18Å; Q753-V757 WeakPolarHBondContact O-CB 3.47Å; Q753-V757 WeakPolarHBondContact O-CG2 3.23Å; Q753-V757 PolarHBondContact O-N 3.2Å; R754-V757 PolarHBondContact O-N 3.17Å; L755-V757 VanDerWaalsContact C-N 3.33Å |
| 758 | L | 86.5 | Confident | 86.3 | Confident | 22 Ų | 22 | 58.9 Ų | 58.9 | 12% | 0.115 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -83.1 | -35.5 | 179.5 | -68.4 | 173.7 | 0 | 0 | 0 | 114.2 | V733 A736 R754 | V733-L758 HydrophobicContact CG1-CD2 4.27Å; A736-L758 HydrophobicContact CB-CD2 4.09Å; R754-L758 HydrophobicContact CG-CD1 3.83Å; R754-L758 HydrophobicContact CG-CG 4.46Å; R754-L758 WeakPolarHBondContact O-CB 3.48Å; R754-L758 WeakPolarHBondContact O-CG 3.4Å; R754-L758 PolarHBondContact O-N 3.13Å |
| 759 | F | 87 | Confident | 86.6 | Confident | 62 Ų | 62 | 59.8 Ų | 59.8 | 27% | 0.272 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -125.3 | 6.5 | -169.6 | -53.1 | -70.5 | 0 | 0 | 0 | 114.3 | L755 Q764 R765 A768 | L755-F759 HydrophobicContact CD2-CD2 3.76Å; L755-F759 HydrophobicContact CD2-CE2 3.83Å; L755-F759 PolarHBondContact O-N 2.95Å; F759-Q764 HydrophobicContact CB-CB 4.3Å; F759-R765 HydrophobicContact CB-CB 3.85Å; F759-R765 HydrophobicContact CB-CG 4.42Å; F759-A768 HydrophobicContact CD2-CB 4.44Å; F759-A768 HydrophobicContact CE2-CB 4.23Å; F759-A768 HydrophobicContact CZ-CB 4.32Å |
| 760 | G | 85.8 | Confident | 87 | Confident | 32 Ų | 32 | 60.8 Ų | 60.8 | 33% | 0.33 | 32% | 0.32 | S | S | . | . | trans | 63 | -154.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V756 | V756-G760 WeakPolarHBondContact O-CA 3.38Å; V756-G760 PolarHBondContact O-N 3.37Å | ||
| 761 | V | 84.1 | Confident | 87.1 | Confident | 123 Ų | 123 | 61.6 Ų | 61.6 | 75% | 0.745 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -107.6 | 134.7 | 171.7 | -70.2 | 0 | 0 | 0 | 0 | 110.5 | V756 | V756-V761 HydrophobicContact CG1-CG1 4.34Å; V756-V761 HydrophobicContact CG2-CG1 4.41Å |
| 762 | G | 86.8 | Confident | 87.3 | Confident | 32 Ų | 32 | 61.2 Ų | 61.2 | 33% | 0.33 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 107.6 | -148 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q764 R765 D766 | G762-Q764 PolarHBondContact O-N 2.92Å; G762-R765 WeakPolarHBondContact O-CB 3.39Å; G762-R765 PolarHBondContact O-N 2.61Å; G762-D766 PolarHBondContact O-N 3.36Å |
| 763 | K | 86.3 | Confident | 87.6 | Confident | 153 Ų | 153 | 64.2 Ų | 64.2 | 67% | 0.665 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -57.9 | -45.7 | -155.1 | -161.1 | -162.9 | 174.4 | -121.8 | 0 | 115 | R765 D766 D767 | K763-R765 VanDerWaalsContact C-N 3.33Å; K763-R765 PolarHBondContact O-N 3.02Å; K763-D766 PolarHBondContact O-N 3.03Å; K763-D766 VanDerWaalsContact O-N 3.09Å; K763-D767 WeakPolarHBondContact CE-OD2 3.34Å; K763-D767 IonicContact NZ-OD1 2.83Å; K763-D767 IonicContact NZ-OD2 2.66Å; K763-D767 PolarHBondContact NZ-OD2 2.89Å; K763-D767 WeakPolarHBondContact O-CB 3.34Å; K763-D767 PolarHBondContact O-N 3.07Å |
| 764 | Q | 83.2 | Confident | 88 | Confident | 137 Ų | 137 | 68.1 Ų | 68.1 | 64% | 0.64 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.5 | -42.5 | -176.2 | -70.5 | -178 | -9.4 | 0 | 0 | 112.3 | F759 G762 D766 D767 A768 | F759-Q764 HydrophobicContact CB-CB 4.3Å; G762-Q764 PolarHBondContact O-N 2.92Å; Q764-D766 VanDerWaalsContact C-N 3.28Å; Q764-D766 PolarHBondContact O-N 3Å; Q764-D767 PolarHBondContact O-N 2.73Å; Q764-A768 WeakPolarHBondContact O-CB 3.31Å; Q764-A768 PolarHBondContact O-N 2.99Å |
| 765 | R | 88.6 | Confident | 88.1 | Confident | 57 Ų | 57 | 68.9 Ų | 68.9 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.8 | -38 | 175.3 | -169.8 | -156.1 | 67.6 | -171.3 | -6.7 | 112.3 | L755 F759 G762 K763 R769 | L755-R765 HydrophobicContact CB-CG 4.04Å; F759-R765 HydrophobicContact CB-CB 3.85Å; F759-R765 HydrophobicContact CB-CG 4.42Å; G762-R765 WeakPolarHBondContact O-CB 3.39Å; G762-R765 PolarHBondContact O-N 2.61Å; K763-R765 VanDerWaalsContact C-N 3.33Å; K763-R765 PolarHBondContact O-N 3.02Å; R765-R769 WeakPolarHBondContact O-CG 3.43Å; R765-R769 PolarHBondContact O-N 3.44Å; R765-R769 VanDerWaalsContact O-N 3.13Å |
| 766 | D | 88.7 | Confident | 88.5 | Confident | 69 Ų | 69 | 68.7 Ų | 68.7 | 37% | 0.369 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -83.9 | -33.7 | -176.7 | -63.8 | -23.1 | 0 | 0 | 0 | 112.2 | G762 K763 Q764 R769 H770 | G762-D766 PolarHBondContact O-N 3.36Å; K763-D766 PolarHBondContact O-N 3.03Å; K763-D766 VanDerWaalsContact O-N 3.09Å; Q764-D766 VanDerWaalsContact C-N 3.28Å; Q764-D766 PolarHBondContact O-N 3Å; D766-R769 PolarHBondContact O-N 3.36Å; D766-H770 WeakPolarHBondContact O-CB 3.43Å; D766-H770 PolarHBondContact O-N 3.21Å |
| 767 | D | 89 | Confident | 88.8 | Confident | 80 Ų | 80 | 72.2 Ų | 72.2 | 43% | 0.428 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 167.9 | -75.8 | -17.9 | 0 | 0 | 0 | 110.3 | K763 Q764 H770 A771 | K763-D767 WeakPolarHBondContact CE-OD2 3.34Å; K763-D767 IonicContact NZ-OD1 2.83Å; K763-D767 IonicContact NZ-OD2 2.66Å; K763-D767 PolarHBondContact NZ-OD2 2.89Å; K763-D767 WeakPolarHBondContact O-CB 3.34Å; K763-D767 PolarHBondContact O-N 3.07Å; Q764-D767 PolarHBondContact O-N 2.73Å; D767-H770 WeakPolarHBondContact O-CB 3.25Å; D767-H770 PolarHBondContact O-N 2.92Å; D767-H770 VanDerWaalsContact O-N 3.15Å; D767-A771 PolarHBondContact O-N 3.08Å |
| 768 | A | 86.3 | Confident | 89 | Confident | 25 Ų | 25 | 71.6 Ų | 71.6 | 21% | 0.207 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.9 | -48.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F759 Q764 H770 A771 I772 | F759-A768 HydrophobicContact CD2-CB 4.44Å; F759-A768 HydrophobicContact CE2-CB 4.23Å; F759-A768 HydrophobicContact CZ-CB 4.32Å; Q764-A768 WeakPolarHBondContact O-CB 3.31Å; Q764-A768 PolarHBondContact O-N 2.99Å; A768-H770 PolarHBondContact O-N 3.05Å; A768-A771 PolarHBondContact O-N 3.46Å; A768-A771 VanDerWaalsContact O-N 3.16Å; A768-I772 PolarHBondContact O-N 3.25Å |
| 769 | R | 89.2 | Confident | 89.2 | Confident | 81 Ų | 81 | 70.5 Ų | 70.5 | 31% | 0.306 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.4 | -31.1 | 173.1 | -78.8 | -179.1 | 163.8 | -173.6 | -0.6 | 113 | N752 L755 R765 D766 K773 | N752-R769 PolarHBondContact OD1-NH2 2.87Å; L755-R769 HydrophobicContact CD1-CG 4.25Å; L755-R769 VanDerWaalsContact CD1-NE 3.27Å; L755-R769 VanDerWaalsContact CD1-NH2 3.34Å; R765-R769 WeakPolarHBondContact O-CG 3.43Å; R765-R769 PolarHBondContact O-N 3.44Å; R765-R769 VanDerWaalsContact O-N 3.13Å; D766-R769 PolarHBondContact O-N 3.36Å; R769-K773 WeakPolarHBondContact O-CB 3.32Å; R769-K773 WeakPolarHBondContact O-CG 3.27Å; R769-K773 PolarHBondContact O-N 3.49Å |
| 770 | H | 91.1 | Very high | 89.5 | Confident | 127 Ų | 127 | 69.7 Ų | 69.7 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -73.3 | -39.3 | 176.9 | -164.5 | 99.9 | 0 | 0 | 0 | 112.2 | D766 D767 A768 K773 K774 | D766-H770 WeakPolarHBondContact O-CB 3.43Å; D766-H770 PolarHBondContact O-N 3.21Å; D767-H770 WeakPolarHBondContact O-CB 3.25Å; D767-H770 PolarHBondContact O-N 2.92Å; D767-H770 VanDerWaalsContact O-N 3.15Å; A768-H770 PolarHBondContact O-N 3.05Å; H770-K773 PolarHBondContact O-N 3.22Å; H770-K774 WeakPolarHBondContact O-CB 3.37Å; H770-K774 PolarHBondContact O-N 3.11Å |
| 771 | A | 88.7 | Confident | 89.6 | Confident | 45 Ų | 45 | 72.9 Ų | 72.9 | 37% | 0.372 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.9 | -48.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | D767 A768 K774 I775 | D767-A771 PolarHBondContact O-N 3.08Å; A768-A771 PolarHBondContact O-N 3.46Å; A768-A771 VanDerWaalsContact O-N 3.16Å; A771-K774 PolarHBondContact O-N 3.02Å; A771-I775 PolarHBondContact O-N 2.8Å |
| 772 | I | 91.1 | Very high | 89.6 | Confident | 8 Ų | 8 | 68.1 Ų | 68.1 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.4 | -55.1 | 175.8 | -56.3 | 168.6 | 0 | 0 | 0 | 110 | A768 K774 I775 T776 D841 Q844 V845 | A768-I772 PolarHBondContact O-N 3.25Å; I772-K774 PolarHBondContact O-N 3.28Å; I772-I775 PolarHBondContact O-N 3.12Å; I772-I775 VanDerWaalsContact O-N 3.1Å; I772-T776 PolarHBondContact O-N 3.01Å; I772-T776 PolarHBondContact O-OG1 2.82Å; I772-D841 HydrophobicContact CD1-CB 4.13Å; I772-D841 VanDerWaalsContact CD1-OD1 3.26Å; I772-D841 WeakPolarHBondContact CD1-OD1 3.45Å; I772-D841 HydrophobicContact CG1-CB 4.15Å; I772-Q844 HydrophobicContact CG2-CG 4.33Å; I772-V845 HydrophobicContact CG2-CG2 3.85Å |
| 773 | K | 93.7 | Very high | 89.6 | Confident | 138 Ų | 138 | 66.9 Ų | 66.9 | 60% | 0.6 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.7 | -27.3 | -179.6 | -75.5 | 178.1 | 177.1 | -178.2 | 0 | 113.7 | R769 H770 K777 | R769-K773 WeakPolarHBondContact O-CB 3.32Å; R769-K773 WeakPolarHBondContact O-CG 3.27Å; R769-K773 PolarHBondContact O-N 3.49Å; H770-K773 PolarHBondContact O-N 3.22Å; K773-K777 WeakPolarHBondContact O-CB 3.36Å; K773-K777 VanDerWaalsContact O-CG 3.28Å; K773-K777 WeakPolarHBondContact O-CG 3.36Å; K773-K777 PolarHBondContact O-N 2.87Å |
| 774 | K | 92.6 | Very high | 89.4 | Confident | 123 Ų | 123 | 63 Ų | 63 | 54% | 0.535 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -71.9 | -50.3 | 173.1 | -176.6 | 178.9 | 177.5 | -177.9 | 0 | 110.7 | H770 A771 I772 K777 D778 | H770-K774 WeakPolarHBondContact O-CB 3.37Å; H770-K774 PolarHBondContact O-N 3.11Å; A771-K774 PolarHBondContact O-N 3.02Å; I772-K774 PolarHBondContact O-N 3.28Å; K774-K777 PolarHBondContact O-N 3.22Å; K774-D778 PolarHBondContact O-N 2.7Å |
| 775 | I | 92.4 | Very high | 89 | Confident | 20 Ų | 20 | 63.5 Ų | 63.5 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -45.2 | -179.5 | -70.5 | 169.8 | 0 | 0 | 0 | 111.1 | A771 I772 K777 D778 I779 K833 F834 L837 V845 | A771-I775 PolarHBondContact O-N 2.8Å; I772-I775 PolarHBondContact O-N 3.12Å; I772-I775 VanDerWaalsContact O-N 3.1Å; I775-K777 VanDerWaalsContact C-N 3.31Å; I775-K777 PolarHBondContact O-N 2.92Å; I775-D778 PolarHBondContact O-N 3.21Å; I775-D778 VanDerWaalsContact O-N 3.16Å; I775-I779 HydrophobicContact CG2-CD1 3.82Å; I775-I779 HydrophobicContact CG2-CG1 4.47Å; I775-I779 WeakPolarHBondContact O-CG1 3.31Å; I775-I779 PolarHBondContact O-N 3.36Å; I775-K833 HydrophobicContact CD1-CB 4.23Å; I775-F834 HydrophobicContact CG2-CB 4.5Å; I775-L837 HydrophobicContact CD1-CD1 3.84Å; I775-L837 HydrophobicContact CD1-CD2 4.01Å; I775-L837 HydrophobicContact CD1-CG 3.92Å; I775-L837 HydrophobicContact CG2-CD1 4.23Å; I775-V845 HydrophobicContact CG2-CG1 4.39Å; I775-V845 HydrophobicContact CG2-CG2 4.49Å |
| 776 | T | 94.5 | Very high | 87.4 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.2 | -44.9 | 173.7 | -44.3 | 0 | 0 | 0 | 0 | 111.4 | I772 D778 I779 L780 Q848 V849 | I772-T776 PolarHBondContact O-N 3.01Å; I772-T776 PolarHBondContact O-OG1 2.82Å; T776-D778 VanDerWaalsContact C-N 3.35Å; T776-D778 PolarHBondContact O-N 3.04Å; T776-I779 PolarHBondContact O-N 2.63Å; T776-L780 HydrophobicContact CG2-CD1 3.89Å; T776-L780 HydrophobicContact CG2-CG 4.26Å; T776-L780 WeakPolarHBondContact O-CB 3.46Å; T776-L780 VanDerWaalsContact O-CG 3.24Å; T776-L780 WeakPolarHBondContact O-CG 3.46Å; T776-L780 PolarHBondContact O-N 3.01Å; T776-Q848 HydrophobicContact CG2-CB 3.97Å; T776-V849 HydrophobicContact CG2-CG2 4.19Å |
| 777 | K | 93.1 | Very high | 85.5 | Confident | 140 Ų | 140 | 67.4 Ų | 67.4 | 61% | 0.609 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.8 | -36.9 | 178.1 | -80.6 | -178.7 | 176.4 | -173.7 | 0 | 112.8 | K773 K774 I775 K781 | K773-K777 WeakPolarHBondContact O-CB 3.36Å; K773-K777 VanDerWaalsContact O-CG 3.28Å; K773-K777 WeakPolarHBondContact O-CG 3.36Å; K773-K777 PolarHBondContact O-N 2.87Å; K774-K777 PolarHBondContact O-N 3.22Å; I775-K777 VanDerWaalsContact C-N 3.31Å; I775-K777 PolarHBondContact O-N 2.92Å; K777-K781 WeakPolarHBondContact O-CG 3.27Å; K777-K781 PolarHBondContact O-N 2.86Å |
| 778 | D | 90.5 | Very high | 82.7 | Confident | 24 Ų | 24 | 69.6 Ų | 69.6 | 13% | 0.128 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.2 | -38.6 | 179.4 | -68.9 | -21.3 | 0 | 0 | 0 | 111.3 | K774 I775 T776 K781 V782 I830 | K774-D778 PolarHBondContact O-N 2.7Å; I775-D778 PolarHBondContact O-N 3.21Å; I775-D778 VanDerWaalsContact O-N 3.16Å; T776-D778 VanDerWaalsContact C-N 3.35Å; T776-D778 PolarHBondContact O-N 3.04Å; D778-K781 PolarHBondContact O-N 3.05Å; D778-K781 IonicContact OD1-NZ 3.61Å; D778-K781 PolarHBondContact OD1-NZ 2.91Å; D778-V782 PolarHBondContact O-N 3.42Å; D778-I830 HydrophobicContact CB-CD1 4.43Å; D778-I830 HydrophobicContact CB-CG1 4.5Å |
| 779 | I | 91.6 | Very high | 80.1 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.2 | -52.9 | 168.9 | -64.7 | 161.5 | 0 | 0 | 0 | 110.8 | I775 T776 K781 V782 L783 I830 V845 V849 L880 | I775-I779 HydrophobicContact CG2-CD1 3.82Å; I775-I779 HydrophobicContact CG2-CG1 4.47Å; I775-I779 WeakPolarHBondContact O-CG1 3.31Å; I775-I779 PolarHBondContact O-N 3.36Å; T776-I779 PolarHBondContact O-N 2.63Å; I779-K781 VanDerWaalsContact C-N 3.26Å; I779-K781 PolarHBondContact O-N 3.33Å; I779-V782 PolarHBondContact O-N 3.18Å; I779-L783 HydrophobicContact CG2-CD1 3.61Å; I779-L783 HydrophobicContact CG2-CG 4.08Å; I779-L783 WeakPolarHBondContact O-CG 3.39Å; I779-L783 PolarHBondContact O-N 2.96Å; I779-I830 HydrophobicContact CB-CG2 4.42Å; I779-I830 HydrophobicContact CD1-CG2 4.22Å; I779-I830 HydrophobicContact CG1-CG2 3.29Å; I779-V845 HydrophobicContact CD1-CG1 3.36Å; I779-V849 HydrophobicContact CB-CG2 4.24Å; I779-V849 HydrophobicContact CD1-CG2 4.47Å; I779-V849 HydrophobicContact CG2-CG1 4.04Å; I779-V849 HydrophobicContact CG2-CG2 3.68Å; I779-L880 HydrophobicContact CD1-CD1 4.36Å; I779-L880 HydrophobicContact CG2-CD1 4.38Å |
| 780 | L | 91.5 | Very high | 77.2 | Confident | 44 Ų | 44 | 77.6 Ų | 77.6 | 23% | 0.23 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.5 | -31.8 | -177.3 | -72 | 175.2 | 0 | 0 | 0 | 112.8 | T776 V782 N784 V849 N852 | T776-L780 HydrophobicContact CG2-CD1 3.89Å; T776-L780 HydrophobicContact CG2-CG 4.26Å; T776-L780 WeakPolarHBondContact O-CB 3.46Å; T776-L780 VanDerWaalsContact O-CG 3.24Å; T776-L780 WeakPolarHBondContact O-CG 3.46Å; T776-L780 PolarHBondContact O-N 3.01Å; L780-V782 VanDerWaalsContact C-N 3.32Å; L780-N784 VanDerWaalsContact O-CB 3.25Å; L780-N784 WeakPolarHBondContact O-CB 3.48Å; L780-N784 PolarHBondContact O-N 2.88Å; L780-N784 PolarHBondContact O-ND2 3.46Å; L780-V849 HydrophobicContact CD2-CG2 4.28Å; L780-V849 HydrophobicContact CG-CG2 4.46Å; L780-N852 HydrophobicContact CD2-CB 3.89Å; L780-N852 WeakPolarHBondContact CD2-OD1 3.25Å |
| 781 | K | 89 | Confident | 74.1 | Confident | 100 Ų | 100 | 77.2 Ų | 77.2 | 44% | 0.435 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.7 | -32.7 | 172.3 | -74.9 | 166.2 | -162.1 | 168.1 | 0 | 113.2 | K777 D778 I779 R785 F824 | K777-K781 WeakPolarHBondContact O-CG 3.27Å; K777-K781 PolarHBondContact O-N 2.86Å; D778-K781 PolarHBondContact O-N 3.05Å; D778-K781 IonicContact OD1-NZ 3.61Å; D778-K781 PolarHBondContact OD1-NZ 2.91Å; I779-K781 VanDerWaalsContact C-N 3.26Å; I779-K781 PolarHBondContact O-N 3.33Å; K781-R785 WeakPolarHBondContact O-CB 3.42Å; K781-R785 PolarHBondContact O-N 3.42Å; K781-F824 HydrophobicContact CB-CE1 3.84Å; K781-F824 HydrophobicContact CB-CZ 3.98Å; K781-F824 HydrophobicContact CD-CE1 4.28Å; K781-F824 HydrophobicContact CD-CZ 3.99Å; K781-F824 HydrophobicContact CG-CZ 4.34Å |
| 782 | V | 84.4 | Confident | 71.1 | Confident | 22 Ų | 22 | 83 Ų | 83 | 13% | 0.133 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -76.4 | -48.2 | 176.2 | 173 | 0 | 0 | 0 | 0 | 109.8 | D778 I779 L780 N784 R785 I830 H873 | D778-V782 PolarHBondContact O-N 3.42Å; I779-V782 PolarHBondContact O-N 3.18Å; L780-V782 VanDerWaalsContact C-N 3.32Å; V782-N784 PolarHBondContact O-N 2.83Å; V782-R785 WeakPolarHBondContact O-CB 3.46Å; V782-R785 PolarHBondContact O-N 2.92Å; V782-R785 VanDerWaalsContact O-N 3.13Å; V782-I830 HydrophobicContact CG2-CD1 3.54Å; V782-H873 PolarHBondContact O-CE1 3.37Å |
| 783 | L | 85.8 | Confident | 68.1 | Low | 7 Ų | 7 | 89.4 Ų | 89.4 | 4% | 0.037 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -62.9 | -42.2 | -178.9 | -61.6 | 174.3 | 0 | 0 | 0 | 112.9 | I779 R785 V849 V853 H873 F876 V877 | I779-L783 HydrophobicContact CG2-CD1 3.61Å; I779-L783 HydrophobicContact CG2-CG 4.08Å; I779-L783 WeakPolarHBondContact O-CG 3.39Å; I779-L783 PolarHBondContact O-N 2.96Å; L783-R785 VanDerWaalsContact C-N 3.27Å; L783-R785 PolarHBondContact O-N 3.5Å; L783-V849 HydrophobicContact CD1-CG1 3.43Å; L783-V849 VanDerWaalsContact CD1-CG1 3.43Å; L783-V853 HydrophobicContact CD1-CG2 4.3Å; L783-H873 HydrophobicContact CD2-CB 3.64Å; L783-H873 PolarHBondContact O-CE1 3.41Å; L783-H873 PolarHBondContact O-ND1 3.28Å; L783-F876 HydrophobicContact CD2-CD1 4.39Å; L783-V877 HydrophobicContact CD1-CG2 3.93Å; L783-V877 HydrophobicContact CD2-CG2 4.16Å |
| 784 | N | 83.4 | Confident | 64.8 | Low | 72 Ų | 72 | 90.9 Ų | 90.9 | 39% | 0.385 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 9.2 | 177.8 | -69.9 | -89.9 | 0 | 0 | 0 | 113.3 | L780 V782 K786 N852 Q856 | L780-N784 VanDerWaalsContact O-CB 3.25Å; L780-N784 WeakPolarHBondContact O-CB 3.48Å; L780-N784 PolarHBondContact O-N 2.88Å; L780-N784 PolarHBondContact O-ND2 3.46Å; V782-N784 PolarHBondContact O-N 2.83Å; N784-K786 PolarHBondContact O-N 3.26Å; N784-N852 PolarHBondContact ND2-OD1 2.93Å; N784-N852 VanDerWaalsContact ND2-OD1 3.09Å; N784-Q856 PolarHBondContact OD1-NE2 3.06Å |
| 785 | R | 73.7 | Confident | 61.6 | Low | 147 Ų | 147 | 88.6 Ų | 88.6 | 56% | 0.555 | 48% | 0.48 | S | S | * | . | trans | -72.9 | 96 | 177.3 | -155.2 | 172.8 | -173.3 | -177.6 | -0.2 | 108.7 | K781 V782 L783 G787 | K781-R785 WeakPolarHBondContact O-CB 3.42Å; K781-R785 PolarHBondContact O-N 3.42Å; V782-R785 WeakPolarHBondContact O-CB 3.46Å; V782-R785 PolarHBondContact O-N 2.92Å; V782-R785 VanDerWaalsContact O-N 3.13Å; L783-R785 VanDerWaalsContact C-N 3.27Å; L783-R785 PolarHBondContact O-N 3.5Å; R785-G787 PolarHBondContact O-N 3.27Å | ||
| 786 | K | 54.4 | Low | 58.4 | Low | 153 Ų | 153 | 93.8 Ų | 93.8 | 67% | 0.665 | 51% | 0.514 | S | S | * | . | trans | -52.5 | 110.4 | 179.9 | -66.3 | -165.9 | -179.2 | -168 | 0 | 110.4 | N784 T788 H867 | N784-K786 PolarHBondContact O-N 3.26Å; K786-T788 PolarHBondContact O-N 3Å; K786-H867 PolarHBondContact NZ-CD2 3.05Å; K786-H867 VanDerWaalsContact NZ-CD2 3.3Å; K786-H867 PolarHBondContact NZ-NE2 3.26Å | ||
| 787 | G | 49.2 | Very low | 55.3 | Low | 54 Ų | 54 | 100.9 Ų | 100.9 | 56% | 0.557 | 55% | 0.551 | S | S | * | * | trans | -69.1 | 112.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | R785 A789 | R785-G787 PolarHBondContact O-N 3.27Å; G787-A789 PolarHBondContact O-N 3.49Å | ||
| 788 | T | 31.1 | Very low | 52.2 | Low | 127 Ų | 127 | 99.7 Ų | 99.7 | 78% | 0.779 | 56% | 0.555 | S | S | * | * | trans | -75.6 | 76.2 | 165.1 | 43.4 | 0 | 0 | 0 | 0 | 108.7 | K786 E790 | K786-T788 PolarHBondContact O-N 3Å; T788-E790 PolarHBondContact O-N 3.35Å | ||
| 789 | A | 31.1 | Very low | 49.3 | Very low | 98 Ų | 98 | 104.2 Ų | 104.2 | 81% | 0.81 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 26.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | G787 | G787-A789 PolarHBondContact O-N 3.49Š|
| 790 | E | 27.8 | Very low | 46.3 | Very low | 175 Ų | 175 | 111.8 Ų | 111.8 | 82% | 0.818 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | 4 | -177.6 | -66.6 | -169.7 | 134.4 | 0 | 0 | 113.6 | T788 | T788-E790 PolarHBondContact O-N 3.35Š|
| 791 | T | 26.5 | Very low | 43.2 | Very low | 119 Ų | 119 | 117 Ų | 117 | 73% | 0.73 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -149.3 | 48.4 | -172.4 | -34.4 | 0 | 0 | 0 | 0 | 115.5 | ||
| 792 | D | 26.4 | Very low | 40.3 | Very low | 167 Ų | 167 | 118.8 Ų | 118.8 | 89% | 0.893 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -148 | 36.2 | 162.6 | -139.2 | 0.6 | 0 | 0 | 0 | 114.2 | ||
| 793 | Q | 28 | Very low | 37.5 | Very low | 142 Ų | 142 | 120.8 Ų | 120.8 | 66% | 0.664 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -151.5 | 5.9 | 170.5 | -128 | 174.3 | 72.9 | 0 | 0 | 115.6 | ||
| 794 | L | 24 | Very low | 34.7 | Very low | 169 Ų | 169 | 128 Ų | 128 | 89% | 0.885 | 74% | 0.739 | S | S | * | * | trans | -105.2 | 73.9 | 179.6 | -77.8 | 172.1 | 0 | 0 | 0 | 112.2 | ||||
| 795 | A | 25.3 | Very low | 32.1 | Very low | 76 Ų | 76 | 131.8 Ų | 131.8 | 63% | 0.628 | 76% | 0.758 | S | S | * | * | trans | -144.1 | 96.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I797 | A795-I797 PolarHBondContact O-N 3.34Š| ||
| 796 | P | 26.1 | Very low | 29.8 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | trans | -76.8 | 89.5 | 177 | 31.1 | -33.6 | 0 | 0 | 0 | 110.5 | V798 | P796-V798 PolarHBondContact O-N 3.02Š| ||
| 797 | I | 28.5 | Very low | 28.5 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 80% | 0.795 | 77% | 0.772 | S | S | * | * | trans | -82 | 106 | 172.9 | -60.6 | -177.5 | 0 | 0 | 0 | 108.8 | A795 | A795-I797 PolarHBondContact O-N 3.34Š| ||
| 798 | V | 28.3 | Very low | 27.5 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 70% | 0.697 | 78% | 0.784 | S | S | * | * | trans | -58.5 | 131.3 | 172.7 | 176.7 | 0 | 0 | 0 | 0 | 109.7 | P796 L800 | P796-V798 PolarHBondContact O-N 3.02Å; V798-L800 PolarHBondContact O-N 3.47Å | ||
| 799 | P | 29.7 | Very low | 27.2 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -68.5 | 131 | 178.3 | 27.8 | -34.3 | 0 | 0 | 0 | 111 | ||||
| 800 | L | 27.5 | Very low | 26.9 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -121.3 | 141.2 | 166.5 | -79.2 | 170.6 | 0 | 0 | 0 | 109.1 | V798 | V798-L800 PolarHBondContact O-N 3.47Š| ||
| 801 | N | 26.4 | Very low | 26.9 | Very low | 154 Ų | 154 | 135 Ų | 135 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -60.9 | 142.4 | -159.5 | -58 | -59.3 | 0 | 0 | 0 | 114.5 | G803 | N801-G803 PolarHBondContact O-N 3.01Š| ||
| 802 | P | 28.6 | Very low | 27.1 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -77.1 | 115.1 | 166.4 | 31.6 | -31.7 | 0 | 0 | 0 | 110.6 | ||||
| 803 | G | 24.9 | Very low | 27.4 | Very low | 65 Ų | 65 | 132.5 Ų | 132.5 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | -169 | 132.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | N801 | N801-G803 PolarHBondContact O-N 3.01Š| ||
| 804 | D | 27.3 | Very low | 27.4 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | 61.9 | 144.8 | -170.8 | -68 | -25.5 | 0 | 0 | 0 | 115 | ||||
| 805 | L | 29 | Very low | 27.7 | Very low | 150 Ų | 150 | 135.1 Ų | 135.1 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | cis | -149.6 | 172.5 | 4.8 | -127.6 | 168.6 | 0 | 0 | 0 | 111.2 | ||||
| 806 | T | 25.9 | Very low | 28.1 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | trans | -100.9 | 161.6 | -171.9 | 31.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 807 | F | 27 | Very low | 28.4 | Very low | 184 Ų | 184 | 149.5 Ų | 149.5 | 81% | 0.807 | 82% | 0.82 | S | S | * | * | trans | 81.8 | 110.8 | 154.1 | -92.6 | -131.8 | 0 | 0 | 0 | 122.1 | ||||
| 808 | L | 29 | Very low | 28.9 | Very low | 155 Ų | 155 | 153.5 Ų | 153.5 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | 45 | 123.4 | 126.9 | -58.9 | 179.3 | 0 | 0 | 0 | 122.7 | |||||
| 809 | G | 23.5 | Very low | 29 | Very low | 86 Ų | 86 | 155.2 Ų | 155.2 | 89% | 0.887 | 83% | 0.83 | S | S | * | * | 119.3 | 138.8 | 123.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 810 | G | 24.7 | Very low | 29.1 | Very low | 83 Ų | 83 | 160.8 Ų | 160.8 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | trans | 141.3 | 108.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 811 | E | 29 | Very low | 29.8 | Very low | 200 Ų | 200 | 158.7 Ų | 158.7 | 94% | 0.935 | 83% | 0.832 | S | S | * | * | trans | -88.2 | 133.6 | 159.9 | -66.3 | 177 | 94.7 | 0 | 0 | 109.6 | ||||
| 812 | D | 31.1 | Very low | 30.6 | Very low | 172 Ų | 172 | 160.4 Ų | 160.4 | 92% | 0.92 | 84% | 0.835 | S | S | * | * | -173.2 | 162.9 | 125.6 | -126.7 | -39.6 | 0 | 0 | 0 | 109.6 | |||||
| 813 | G | 31 | Very low | 32 | Very low | 60 Ų | 60 | 158.4 Ų | 158.4 | 62% | 0.619 | 83% | 0.83 | S | S | * | * | trans | -161.7 | 168.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 814 | Q | 28.6 | Very low | 33.6 | Very low | 177 Ų | 177 | 160.1 Ų | 160.1 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | -158.9 | 119.9 | 161.3 | -118.5 | 172.1 | 77.2 | 0 | 0 | 116.4 | ||||
| 815 | K | 30.9 | Very low | 35.5 | Very low | 190 Ų | 190 | 154.2 Ų | 154.2 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | 34 | 96.2 | 138.5 | -59.2 | 172.8 | -173.1 | 166.4 | 0 | 118.7 | ||||
| 816 | R | 32.7 | Very low | 37.8 | Very low | 252 Ų | 252 | 150.2 Ų | 150.2 | 95% | 0.951 | 77% | 0.771 | S | S | * | * | trans | -135.4 | 118 | 131.3 | -92.6 | -166.6 | 172.7 | -161.5 | -2.7 | 110.9 | ||||
| 817 | R | 33.3 | Very low | 40.3 | Very low | 254 Ų | 254 | 146.7 Ų | 146.7 | 96% | 0.958 | 75% | 0.753 | S | S | * | * | trans | -72.9 | 124.6 | 165.7 | -81.6 | -170.3 | 172.1 | -147.7 | -1.2 | 108.9 | ||||
| 818 | R | 37.7 | Very low | 42.8 | Very low | 239 Ų | 239 | 144.2 Ų | 144.2 | 90% | 0.902 | 74% | 0.744 | S | S | * | * | trans | -133.2 | 132.7 | 154.3 | -165.8 | 175.4 | -170.5 | 174.2 | 2.4 | 105.9 | R820 | R818-R820 PolarHBondContact O-N 3.13Å; R818-R820 VanDerWaalsContact O-N 3.13Å | ||
| 819 | N | 31.5 | Very low | 45.3 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 81% | 0.807 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -62 | 119.1 | -177.4 | -63.8 | -2.7 | 0 | 0 | 0 | 109 | ||
| 820 | R | 32 | Very low | 48.4 | Very low | 235 Ų | 235 | 136.5 Ų | 136.5 | 89% | 0.887 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 140.8 | 152.9 | -86.7 | -175.6 | 167.8 | 173.7 | -4.9 | 106.9 | R818 | R818-R820 PolarHBondContact O-N 3.13Å; R818-R820 VanDerWaalsContact O-N 3.13Å |
| 821 | P | 42.1 | Very low | 51.4 | Low | 116 Ų | 116 | 133.4 Ų | 133.4 | 75% | 0.753 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 150.3 | 156.4 | -17.8 | 31.4 | 0 | 0 | 0 | 108.8 | A823 | P821-A823 PolarHBondContact O-N 2.86Š|
| 822 | E | 42.9 | Very low | 54.1 | Low | 190 Ų | 190 | 126 Ų | 126 | 89% | 0.888 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -56 | 132.7 | 163.7 | -68.8 | -177 | 124.4 | 0 | 0 | 108.1 | F824 | E822-F824 PolarHBondContact O-N 3.05Š|
| 823 | A | 57.2 | Low | 56.8 | Low | 94 Ų | 94 | 122.2 Ų | 122.2 | 78% | 0.777 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 130.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | P821 | P821-A823 PolarHBondContact O-N 2.86Š|
| 824 | F | 59.3 | Low | 59.8 | Low | 101 Ų | 101 | 119.3 Ų | 119.3 | 44% | 0.443 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 124 | 176.8 | -134 | -89.4 | 0 | 0 | 0 | 107.6 | K781 E822 T826 | K781-F824 HydrophobicContact CB-CE1 3.84Å; K781-F824 HydrophobicContact CB-CZ 3.98Å; K781-F824 HydrophobicContact CD-CE1 4.28Å; K781-F824 HydrophobicContact CD-CZ 3.99Å; K781-F824 HydrophobicContact CG-CZ 4.34Å; E822-F824 PolarHBondContact O-N 3.05Å; F824-T826 PolarHBondContact O-N 2.86Å |
| 825 | P | 68.1 | Low | 62.6 | Low | 34 Ų | 34 | 112.6 Ų | 112.6 | 22% | 0.221 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 138.5 | -174.9 | 25.3 | -34.1 | 0 | 0 | 0 | 110.1 | D829 I830 | P825-D829 HydrophobicContact CB-CB 3.81Å; P825-I830 HydrophobicContact CB-CD1 4.42Å; P825-I830 HydrophobicContact CB-CG1 4.07Å; P825-I830 HydrophobicContact CG-CD1 4.2Å; P825-I830 HydrophobicContact CG-CG1 4.19Å |
| 826 | T | 76.8 | Confident | 65.3 | Low | 67 Ų | 67 | 109.4 Ų | 109.4 | 41% | 0.411 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 168.2 | 177.3 | 68.2 | 0 | 0 | 0 | 0 | 111.6 | F824 E828 D829 I830 | F824-T826 PolarHBondContact O-N 2.86Å; T826-E828 PolarHBondContact O-N 3.3Å; T826-E828 PolarHBondContact OG1-N 3.31Å; T826-D829 PolarHBondContact N-OD2 2.9Å; T826-D829 WeakPolarHBondContact O-CB 3.43Å; T826-D829 PolarHBondContact O-N 3.25Å; T826-D829 WeakPolarHBondContact OG1-CB 3.28Å; T826-D829 PolarHBondContact OG1-N 2.85Å; T826-D829 PolarHBondContact OG1-OD2 2.93Å; T826-I830 WeakPolarHBondContact O-CD1 3.28Å; T826-I830 VanDerWaalsContact O-CG1 3.27Å; T826-I830 WeakPolarHBondContact O-CG1 3.49Å; T826-I830 PolarHBondContact O-N 3.4Å; T826-I830 VanDerWaalsContact O-N 3.09Å |
| 827 | A | 78 | Confident | 68.1 | Low | 40 Ų | 40 | 98.5 Ų | 98.5 | 33% | 0.331 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.9 | -37.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I830 F831 F876 | A827-I830 PolarHBondContact O-N 3.02Å; A827-F831 WeakPolarHBondContact O-CB 3.19Å; A827-F831 PolarHBondContact O-N 3.49Å; A827-F876 HydrophobicContact CB-CE2 4.06Å; A827-F876 HydrophobicContact CB-CZ 4.07Å |
| 828 | E | 78.5 | Confident | 70.9 | Confident | 133 Ų | 133 | 86.9 Ų | 86.9 | 62% | 0.621 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.9 | -46.7 | 175.9 | -62.5 | 160.4 | -169.1 | 0 | 0 | 112 | T826 I830 F831 A832 | T826-E828 PolarHBondContact O-N 3.3Å; T826-E828 PolarHBondContact OG1-N 3.31Å; E828-I830 PolarHBondContact O-N 3.01Å; E828-F831 PolarHBondContact O-N 2.94Å; E828-A832 WeakPolarHBondContact O-CB 3.47Å; E828-A832 PolarHBondContact O-N 3.23Å |
| 829 | D | 83.2 | Confident | 73.5 | Confident | 74 Ų | 74 | 75.8 Ų | 75.8 | 40% | 0.396 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -53.9 | -37.8 | 172.6 | -92 | -49.1 | 0 | 0 | 0 | 112.3 | P825 T826 K833 | P825-D829 HydrophobicContact CB-CB 3.81Å; T826-D829 PolarHBondContact N-OD2 2.9Å; T826-D829 WeakPolarHBondContact O-CB 3.43Å; T826-D829 PolarHBondContact O-N 3.25Å; T826-D829 WeakPolarHBondContact OG1-CB 3.28Å; T826-D829 PolarHBondContact OG1-N 2.85Å; T826-D829 PolarHBondContact OG1-OD2 2.93Å; D829-K833 WeakPolarHBondContact O-CD 3.44Å; D829-K833 WeakPolarHBondContact O-CG 3.37Å; D829-K833 PolarHBondContact O-N 2.86Å; D829-K833 PolarHBondContact O-NZ 3.39Å; D829-K833 IonicContact OD1-NZ 2.71Å |
| 830 | I | 87.2 | Confident | 76.3 | Confident | 5 Ų | 5 | 68.8 Ų | 68.8 | 3% | 0.026 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -79.8 | -43.7 | -178 | -69.2 | 166.7 | 0 | 0 | 0 | 110.1 | D778 I779 V782 P825 T826 A827 E828 K833 F834 | D778-I830 HydrophobicContact CB-CD1 4.43Å; D778-I830 HydrophobicContact CB-CG1 4.5Å; I779-I830 HydrophobicContact CB-CG2 4.42Å; I779-I830 HydrophobicContact CD1-CG2 4.22Å; I779-I830 HydrophobicContact CG1-CG2 3.29Å; V782-I830 HydrophobicContact CG2-CD1 3.54Å; P825-I830 HydrophobicContact CB-CD1 4.42Å; P825-I830 HydrophobicContact CB-CG1 4.07Å; P825-I830 HydrophobicContact CG-CD1 4.2Å; P825-I830 HydrophobicContact CG-CG1 4.19Å; T826-I830 WeakPolarHBondContact O-CD1 3.28Å; T826-I830 VanDerWaalsContact O-CG1 3.27Å; T826-I830 WeakPolarHBondContact O-CG1 3.49Å; T826-I830 PolarHBondContact O-N 3.4Å; T826-I830 VanDerWaalsContact O-N 3.09Å; A827-I830 PolarHBondContact O-N 3.02Å; E828-I830 PolarHBondContact O-N 3.01Å; I830-K833 PolarHBondContact O-N 3.04Å; I830-K833 VanDerWaalsContact O-N 3.17Å; I830-F834 WeakPolarHBondContact O-CB 3.46Å; I830-F834 PolarHBondContact O-N 3.29Å |
| 831 | F | 88.2 | Confident | 79.2 | Confident | 18 Ų | 18 | 58.6 Ų | 58.6 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 176 | -164.7 | -97 | 0 | 0 | 0 | 110.8 | A827 E828 K833 F834 Q835 F876 L880 Y883 | A827-F831 WeakPolarHBondContact O-CB 3.19Å; A827-F831 PolarHBondContact O-N 3.49Å; E828-F831 PolarHBondContact O-N 2.94Å; F831-K833 VanDerWaalsContact C-N 3.26Å; F831-K833 PolarHBondContact O-N 3.33Å; F831-F834 CarbonylContact O-C 3.58Å; F831-F834 WeakPolarHBondContact O-CA 3.33Å; F831-F834 WeakPolarHBondContact O-CB 3.44Å; F831-F834 PolarHBondContact O-N 3.04Å; F831-Q835 HydrophobicContact CD1-CG 3.99Å; F831-Q835 HydrophobicContact CE1-CG 3.95Å; F831-Q835 WeakPolarHBondContact O-CG 3.22Å; F831-Q835 PolarHBondContact O-N 3.3Å; F831-F876 HydrophobicContact CB-CE2 4.24Å; F831-F876 HydrophobicContact CB-CZ 4.37Å; F831-F876 AromaticContact CD2-CE2 3.92Å; F831-F876 HydrophobicContact CD2-CE2 3.92Å; F831-F876 HydrophobicContact CD2-CZ 4.37Å; F831-F876 HydrophobicContact CG-CE2 4.49Å; F831-L880 HydrophobicContact CD2-CD2 3.56Å; F831-L880 HydrophobicContact CD2-CG 4.24Å; F831-L880 HydrophobicContact CE2-CD2 3.86Å; F831-L880 HydrophobicContact CE2-CG 4.34Å; F831-Y883 HydrophobicContact CE1-CD2 4.45Å; F831-Y883 HydrophobicContact CZ-CD2 4.15Å; F831-Y883 HydrophobicContact CZ-CG 4.06Å |
| 832 | A | 86 | Confident | 81.7 | Confident | 44 Ų | 44 | 53.2 Ų | 53.2 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57 | -36.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E828 H836 | E828-A832 WeakPolarHBondContact O-CB 3.47Å; E828-A832 PolarHBondContact O-N 3.23Å; A832-H836 PolarHBondContact O-ND1 3.34Å |
| 833 | K | 88.8 | Confident | 84.2 | Confident | 92 Ų | 92 | 44.9 Ų | 44.9 | 40% | 0.4 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -71.9 | -37.6 | 174.6 | -68.7 | 169.8 | -169.3 | 87 | 0 | 112.1 | I775 D829 I830 F831 H836 | I775-K833 HydrophobicContact CD1-CB 4.23Å; D829-K833 WeakPolarHBondContact O-CD 3.44Å; D829-K833 WeakPolarHBondContact O-CG 3.37Å; D829-K833 PolarHBondContact O-N 2.86Å; D829-K833 PolarHBondContact O-NZ 3.39Å; D829-K833 IonicContact OD1-NZ 2.71Å; I830-K833 PolarHBondContact O-N 3.04Å; I830-K833 VanDerWaalsContact O-N 3.17Å; F831-K833 VanDerWaalsContact C-N 3.26Å; F831-K833 PolarHBondContact O-N 3.33Å; K833-H836 PolarHBondContact O-N 3.47Å |
| 834 | F | 92.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.4 | -38 | 174.6 | 174.4 | -94.6 | 0 | 0 | 0 | 112.2 | I775 I830 F831 H836 L837 Q842 V845 T846 L880 Y883 | I775-F834 HydrophobicContact CG2-CB 4.5Å; I830-F834 WeakPolarHBondContact O-CB 3.46Å; I830-F834 PolarHBondContact O-N 3.29Å; F831-F834 CarbonylContact O-C 3.58Å; F831-F834 WeakPolarHBondContact O-CA 3.33Å; F831-F834 WeakPolarHBondContact O-CB 3.44Å; F831-F834 PolarHBondContact O-N 3.04Å; F834-H836 PolarHBondContact O-N 3.37Å; F834-H836 VanDerWaalsContact O-N 3.08Å; F834-L837 HydrophobicContact CD2-CD1 4.26Å; F834-L837 WeakPolarHBondContact O-CB 3.19Å; F834-L837 PolarHBondContact O-N 3.18Å; F834-Q842 HydrophobicContact CD1-CG 4.41Å; F834-Q842 HydrophobicContact CD2-CG 4.29Å; F834-Q842 HydrophobicContact CE1-CB 4.28Å; F834-Q842 HydrophobicContact CE1-CG 4.08Å; F834-Q842 HydrophobicContact CE2-CB 3.77Å; F834-Q842 HydrophobicContact CE2-CG 3.94Å; F834-Q842 HydrophobicContact CZ-CB 3.62Å; F834-Q842 HydrophobicContact CZ-CG 3.84Å; F834-V845 HydrophobicContact CD2-CB 4.36Å; F834-V845 HydrophobicContact CD2-CG1 4.02Å; F834-V845 HydrophobicContact CE2-CB 4.02Å; F834-V845 HydrophobicContact CE2-CG1 3.93Å; F834-T846 HydrophobicContact CE2-CG2 3.98Å; F834-T846 HydrophobicContact CZ-CG2 3.69Å; F834-L880 HydrophobicContact CB-CD2 4.28Å; F834-L880 HydrophobicContact CD1-CD2 3.44Å; F834-L880 VanDerWaalsContact CD1-CD2 3.44Å; F834-L880 HydrophobicContact CD2-CD2 4.03Å; F834-L880 HydrophobicContact CE1-CB 4.34Å; F834-L880 HydrophobicContact CE1-CD2 3.56Å; F834-L880 HydrophobicContact CE2-CD2 4.13Å; F834-L880 HydrophobicContact CG-CD2 3.67Å; F834-L880 HydrophobicContact CZ-CB 4.23Å; F834-L880 HydrophobicContact CZ-CD2 3.89Å; F834-L880 WeakPolarHBondContact CZ-O 3.5Å; F834-Y883 HydrophobicContact CD1-CD1 4.26Å; F834-Y883 AromaticContact CE1-CD1 3.96Å; F834-Y883 HydrophobicContact CE1-CD1 3.96Å |
| 835 | Q | 89.2 | Confident | 87.5 | Confident | 35 Ų | 35 | 37.8 Ų | 37.8 | 16% | 0.164 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -17.7 | 175.9 | -68.3 | -170.7 | -50.8 | 0 | 0 | 114.5 | F831 Y883 N1187 | F831-Q835 HydrophobicContact CD1-CG 3.99Å; F831-Q835 HydrophobicContact CE1-CG 3.95Å; F831-Q835 WeakPolarHBondContact O-CG 3.22Å; F831-Q835 PolarHBondContact O-N 3.3Å; Q835-Y883 HydrophobicContact CB-CE1 4.1Å; Q835-Y883 HydrophobicContact CG-CD1 4.32Å; Q835-Y883 HydrophobicContact CG-CE1 3.73Å; Q835-Y883 HydrophobicContact CG-CE2 4.01Å; Q835-N1187 PolarHBondContact NE2-ND2 3.11Å; Q835-N1187 VanDerWaalsContact NE2-ND2 3.1Å |
| 836 | H | 86.8 | Confident | 88.7 | Confident | 124 Ų | 124 | 36.2 Ų | 36.2 | 57% | 0.574 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -2.3 | 177.5 | -71.5 | 78 | 0 | 0 | 0 | 113.9 | A832 K833 F834 | A832-H836 PolarHBondContact O-ND1 3.34Å; K833-H836 PolarHBondContact O-N 3.47Å; F834-H836 PolarHBondContact O-N 3.37Å; F834-H836 VanDerWaalsContact O-N 3.08Å |
| 837 | L | 91.2 | Very high | 89.5 | Confident | 23 Ų | 23 | 34.1 Ų | 34.1 | 12% | 0.12 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -80.1 | 157.6 | 172.5 | -70.2 | 177.8 | 0 | 0 | 0 | 111.2 | I775 F834 D841 Q842 V845 | I775-L837 HydrophobicContact CD1-CD1 3.84Å; I775-L837 HydrophobicContact CD1-CD2 4.01Å; I775-L837 HydrophobicContact CD1-CG 3.92Å; I775-L837 HydrophobicContact CG2-CD1 4.23Å; F834-L837 HydrophobicContact CD2-CD1 4.26Å; F834-L837 WeakPolarHBondContact O-CB 3.19Å; F834-L837 PolarHBondContact O-N 3.18Å; L837-D841 HydrophobicContact CB-CB 4.08Å; L837-D841 HydrophobicContact CD1-CB 4.49Å; L837-D841 HydrophobicContact CD2-CB 4.28Å; L837-Q842 HydrophobicContact CB-CG 3.74Å; L837-Q842 PolarHBondContact O-NE2 3.4Å; L837-V845 HydrophobicContact CD1-CG2 3.94Å |
| 838 | S | 91.3 | Very high | 90.3 | Very high | 10 Ų | 10 | 36 Ų | 36 | 7% | 0.07 | 18% | 0.182 | C | C | . | . | trans | -68.1 | 157.5 | 169.3 | 75.7 | 0 | 0 | 0 | 0 | 111.1 | T737 R754 Y840 D841 Q842 | T737-S838 VanDerWaalsContact O-CB 3.23Å; T737-S838 WeakPolarHBondContact O-CB 3.19Å; T737-S838 PolarHBondContact O-OG 3.31Å; R754-S838 PolarHBondContact NH2-OG 3.08Å; S838-Y840 VanDerWaalsContact C-N 3.29Å; S838-Y840 PolarHBondContact O-N 3.19Å; S838-D841 WeakPolarHBondContact CB-OD2 3.45Å; S838-D841 PolarHBondContact O-N 2.85Å; S838-D841 PolarHBondContact OG-N 3.22Å; S838-D841 PolarHBondContact OG-OD2 2.93Å; S838-Q842 VanDerWaalsContact O-CG 3.31Å; S838-Q842 WeakPolarHBondContact O-CG 3.49Å; S838-Q842 PolarHBondContact O-N 2.79Å | ||
| 839 | H | 92.2 | Very high | 91 | Very high | 6 Ų | 6 | 29.7 Ų | 29.7 | 3% | 0.028 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.9 | -36.8 | -179.7 | -83.9 | -78.7 | 0 | 0 | 0 | 112.6 | F595 V598 H738 D841 Q842 H843 S884 | F595-H839 AromaticContact CD1-NE2 3.71Å; F595-H839 AromaticContact CE1-NE2 3.51Å; V598-H839 HydrophobicContact CG1-CB 3.66Å; H738-H839 AromaticContact ND1-CD2 3.69Å; H738-H839 WeakPolarHBondContact O-CB 3.26Å; H839-D841 PolarHBondContact O-N 3.24Å; H839-Q842 PolarHBondContact O-N 3.32Å; H839-H843 PolarHBondContact O-CD2 3.46Å; H839-H843 VanDerWaalsContact O-CD2 3.3Å; H839-H843 PolarHBondContact O-N 3Å; H839-S884 PolarHBondContact ND1-O 3.19Å |
| 840 | Y | 92.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -54 | -50.1 | 167.2 | 171.9 | -77 | 0 | 0 | 0 | 112.4 | H738 I741 C751 S838 Q842 H843 Q844 | H738-Y840 PolarHBondContact O-N 3.04Å; H738-Y840 VanDerWaalsContact O-N 3.16Å; I741-Y840 HydrophobicContact CB-CD2 4.32Å; I741-Y840 HydrophobicContact CB-CE2 3.89Å; I741-Y840 HydrophobicContact CD1-CD2 4.42Å; I741-Y840 HydrophobicContact CD1-CE2 3.86Å; I741-Y840 HydrophobicContact CG1-CD2 4Å; I741-Y840 HydrophobicContact CG1-CE2 3.77Å; C751-Y840 WeakPolarHBondContact CB-OH 3.44Å; C751-Y840 PolarHBondContact SG-OH 2.97Å; S838-Y840 VanDerWaalsContact C-N 3.29Å; S838-Y840 PolarHBondContact O-N 3.19Å; Y840-Q842 VanDerWaalsContact C-N 3.34Å; Y840-Q842 PolarHBondContact O-N 2.62Å; Y840-H843 WeakPolarHBondContact O-CB 3.41Å; Y840-H843 PolarHBondContact O-N 3.12Å; Y840-Q844 PolarHBondContact O-N 3.49Å |
| 841 | D | 93.1 | Very high | 91.9 | Very high | 20 Ų | 20 | 32.2 Ų | 32.2 | 11% | 0.107 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.7 | -35.3 | -175.7 | -59.5 | -44.9 | 0 | 0 | 0 | 110.5 | R754 I772 L837 S838 H839 Q844 V845 | R754-D841 IonicContact NH1-OD1 2.71Å; I772-D841 HydrophobicContact CD1-CB 4.13Å; I772-D841 VanDerWaalsContact CD1-OD1 3.26Å; I772-D841 WeakPolarHBondContact CD1-OD1 3.45Å; I772-D841 HydrophobicContact CG1-CB 4.15Å; L837-D841 HydrophobicContact CB-CB 4.08Å; L837-D841 HydrophobicContact CD1-CB 4.49Å; L837-D841 HydrophobicContact CD2-CB 4.28Å; S838-D841 WeakPolarHBondContact CB-OD2 3.45Å; S838-D841 PolarHBondContact O-N 2.85Å; S838-D841 PolarHBondContact OG-N 3.22Å; S838-D841 PolarHBondContact OG-OD2 2.93Å; H839-D841 PolarHBondContact O-N 3.24Å; D841-Q844 PolarHBondContact O-N 2.83Å; D841-V845 WeakPolarHBondContact O-CG2 3.46Å; D841-V845 PolarHBondContact O-N 3.13Å |
| 842 | Q | 94.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 172.1 | -67.4 | 175.3 | 34.7 | 0 | 0 | 111.4 | F834 L837 S838 H839 Y840 Q844 V845 T846 S884 | F834-Q842 HydrophobicContact CD1-CG 4.41Å; F834-Q842 HydrophobicContact CD2-CG 4.29Å; F834-Q842 HydrophobicContact CE1-CB 4.28Å; F834-Q842 HydrophobicContact CE1-CG 4.08Å; F834-Q842 HydrophobicContact CE2-CB 3.77Å; F834-Q842 HydrophobicContact CE2-CG 3.94Å; F834-Q842 HydrophobicContact CZ-CB 3.62Å; F834-Q842 HydrophobicContact CZ-CG 3.84Å; L837-Q842 HydrophobicContact CB-CG 3.74Å; L837-Q842 PolarHBondContact O-NE2 3.4Å; S838-Q842 VanDerWaalsContact O-CG 3.31Å; S838-Q842 WeakPolarHBondContact O-CG 3.49Å; S838-Q842 PolarHBondContact O-N 2.79Å; H839-Q842 PolarHBondContact O-N 3.32Å; Y840-Q842 VanDerWaalsContact C-N 3.34Å; Y840-Q842 PolarHBondContact O-N 2.62Å; Q842-Q844 VanDerWaalsContact C-N 3.33Å; Q842-Q844 PolarHBondContact O-N 2.77Å; Q842-V845 PolarHBondContact O-N 3.38Å; Q842-T846 WeakPolarHBondContact O-CG2 3.3Å; Q842-T846 PolarHBondContact O-N 3.06Å; Q842-T846 PolarHBondContact O-OG1 3.1Å; Q842-S884 VanDerWaalsContact OE1-CA 3.26Å |
| 843 | H | 93.7 | Very high | 92.6 | Very high | 16 Ų | 16 | 31 Ų | 31 | 7% | 0.074 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59 | -40.5 | 172.7 | -88.4 | -133.6 | 0 | 0 | 0 | 112.3 | C602 P740 H839 Y840 T846 A847 S884 S886 | C602-H843 VanDerWaalsContact SG-CE1 3.51Å; P740-H843 HydrophobicContact CB-CB 4.26Å; P740-H843 WeakPolarHBondContact CB-ND1 3.26Å; H839-H843 PolarHBondContact O-CD2 3.46Å; H839-H843 VanDerWaalsContact O-CD2 3.3Å; H839-H843 PolarHBondContact O-N 3Å; Y840-H843 WeakPolarHBondContact O-CB 3.41Å; Y840-H843 PolarHBondContact O-N 3.12Å; H843-T846 PolarHBondContact O-OG1 3.16Å; H843-A847 WeakPolarHBondContact O-CB 3.37Å; H843-A847 PolarHBondContact O-N 3.1Å; H843-S884 PolarHBondContact CD2-O 3.36Å; H843-S884 PolarHBondContact NE2-O 3.15Å; H843-S884 VanDerWaalsContact NE2-O 3.14Å; H843-S886 PolarHBondContact CE1-OG 2.71Å; H843-S886 WeakPolarHBondContact NE2-CA 3.48Å; H843-S886 WeakPolarHBondContact NE2-CB 3.47Å; H843-S886 PolarHBondContact NE2-N 3.18Å |
| 844 | Q | 91.9 | Very high | 92.9 | Very high | 46 Ų | 46 | 28.2 Ų | 28.2 | 22% | 0.215 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.7 | -40.7 | 175.7 | 176.4 | 157.2 | 107.8 | 0 | 0 | 112.3 | I772 Y840 D841 Q842 Q848 | I772-Q844 HydrophobicContact CG2-CG 4.33Å; Y840-Q844 PolarHBondContact O-N 3.49Å; D841-Q844 PolarHBondContact O-N 2.83Å; Q842-Q844 VanDerWaalsContact C-N 3.33Å; Q842-Q844 PolarHBondContact O-N 2.77Å; Q844-Q848 WeakPolarHBondContact O-CG 3.45Å; Q844-Q848 PolarHBondContact O-N 3.28Å |
| 845 | V | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.5 | -50.8 | 175.6 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | I772 I775 I779 F834 L837 D841 Q842 A847 Q848 V849 | I772-V845 HydrophobicContact CG2-CG2 3.85Å; I775-V845 HydrophobicContact CG2-CG1 4.39Å; I775-V845 HydrophobicContact CG2-CG2 4.49Å; I779-V845 HydrophobicContact CD1-CG1 3.36Å; F834-V845 HydrophobicContact CD2-CB 4.36Å; F834-V845 HydrophobicContact CD2-CG1 4.02Å; F834-V845 HydrophobicContact CE2-CB 4.02Å; F834-V845 HydrophobicContact CE2-CG1 3.93Å; L837-V845 HydrophobicContact CD1-CG2 3.94Å; D841-V845 WeakPolarHBondContact O-CG2 3.46Å; D841-V845 PolarHBondContact O-N 3.13Å; Q842-V845 PolarHBondContact O-N 3.38Å; V845-A847 PolarHBondContact O-N 3.05Å; V845-Q848 PolarHBondContact O-N 2.93Å; V845-V849 HydrophobicContact CG1-CG2 4.39Å; V845-V849 WeakPolarHBondContact O-CB 3.29Å; V845-V849 WeakPolarHBondContact O-CG2 3.4Å; V845-V849 PolarHBondContact O-N 3.17Å |
| 846 | T | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | -177.1 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | F834 Q842 H843 Q848 V849 S850 L880 M881 | F834-T846 HydrophobicContact CE2-CG2 3.98Å; F834-T846 HydrophobicContact CZ-CG2 3.69Å; Q842-T846 WeakPolarHBondContact O-CG2 3.3Å; Q842-T846 PolarHBondContact O-N 3.06Å; Q842-T846 PolarHBondContact O-OG1 3.1Å; H843-T846 PolarHBondContact O-OG1 3.16Å; T846-Q848 PolarHBondContact O-N 2.98Å; T846-V849 PolarHBondContact O-N 3.01Å; T846-V849 VanDerWaalsContact O-N 3.09Å; T846-S850 PolarHBondContact O-N 2.99Å; T846-S850 PolarHBondContact O-OG 3.46Å; T846-S850 VanDerWaalsContact O-OG 3.14Å; T846-L880 HydrophobicContact CG2-CB 3.98Å; T846-M881 HydrophobicContact CG2-CG 3.88Å |
| 847 | A | 93.1 | Very high | 93.4 | Very high | 23 Ų | 23 | 27.8 Ų | 27.8 | 19% | 0.19 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.6 | -20.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q743 H843 V845 R851 | Q743-A847 HydrophobicContact CB-CB 4.14Å; Q743-A847 HydrophobicContact CG-CB 4.06Å; H843-A847 WeakPolarHBondContact O-CB 3.37Å; H843-A847 PolarHBondContact O-N 3.1Å; V845-A847 PolarHBondContact O-N 3.05Å; A847-R851 PolarHBondContact O-NE 3.19Å; A847-R851 PolarHBondContact O-NH2 2.74Å |
| 848 | Q | 93.4 | Very high | 93.6 | Very high | 79 Ų | 79 | 28.7 Ų | 28.7 | 37% | 0.369 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -83.2 | -36 | 170.1 | -72 | 174.1 | 11 | 0 | 0 | 111.4 | T776 Q844 V845 T846 N852 | T776-Q848 HydrophobicContact CG2-CB 3.97Å; Q844-Q848 WeakPolarHBondContact O-CG 3.45Å; Q844-Q848 PolarHBondContact O-N 3.28Å; V845-Q848 PolarHBondContact O-N 2.93Å; T846-Q848 PolarHBondContact O-N 2.98Å; Q848-N852 PolarHBondContact O-N 3.23Å |
| 849 | V | 94.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -73.1 | -45.5 | -178.3 | 164.7 | 0 | 0 | 0 | 0 | 112.4 | T776 I779 L780 L783 V845 T846 N852 V853 V877 | T776-V849 HydrophobicContact CG2-CG2 4.19Å; I779-V849 HydrophobicContact CB-CG2 4.24Å; I779-V849 HydrophobicContact CD1-CG2 4.47Å; I779-V849 HydrophobicContact CG2-CG1 4.04Å; I779-V849 HydrophobicContact CG2-CG2 3.68Å; L780-V849 HydrophobicContact CD2-CG2 4.28Å; L780-V849 HydrophobicContact CG-CG2 4.46Å; L783-V849 HydrophobicContact CD1-CG1 3.43Å; L783-V849 VanDerWaalsContact CD1-CG1 3.43Å; V845-V849 HydrophobicContact CG1-CG2 4.39Å; V845-V849 WeakPolarHBondContact O-CB 3.29Å; V845-V849 WeakPolarHBondContact O-CG2 3.4Å; V845-V849 PolarHBondContact O-N 3.17Å; T846-V849 PolarHBondContact O-N 3.01Å; T846-V849 VanDerWaalsContact O-N 3.09Å; V849-N852 PolarHBondContact O-N 2.7Å; V849-V853 PolarHBondContact O-N 3.33Å; V849-V853 VanDerWaalsContact O-N 3.14Å; V849-V877 HydrophobicContact CG1-CB 4.35Å; V849-V877 HydrophobicContact CG1-CG1 4Å; V849-V877 HydrophobicContact CG1-CG2 3.42Å; V849-V877 VanDerWaalsContact CG1-CG2 3.42Å |
| 850 | S | 94.7 | Very high | 93.7 | Very high | 12 Ų | 12 | 30.7 Ų | 30.7 | 8% | 0.084 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.4 | -44.2 | 178.5 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | T846 N852 V853 L854 F893 | T846-S850 PolarHBondContact O-N 2.99Å; T846-S850 PolarHBondContact O-OG 3.46Å; T846-S850 VanDerWaalsContact O-OG 3.14Å; S850-N852 VanDerWaalsContact C-N 3.32Å; S850-N852 PolarHBondContact O-N 3.47Å; S850-V853 PolarHBondContact O-N 3.23Å; S850-V853 VanDerWaalsContact O-N 3.12Å; S850-L854 PolarHBondContact O-N 3.07Å; S850-F893 WeakPolarHBondContact O-CE2 3.47Å |
| 851 | R | 94 | Very high | 93.7 | Very high | 121 Ų | 121 | 31 Ų | 31 | 46% | 0.457 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -54.3 | -45.4 | 172.4 | -82.9 | -174.5 | -78.6 | -155.3 | -7.1 | 111.8 | A847 V853 L854 E855 | A847-R851 PolarHBondContact O-NE 3.19Å; A847-R851 PolarHBondContact O-NH2 2.74Å; R851-V853 VanDerWaalsContact C-N 3.33Å; R851-V853 PolarHBondContact O-N 2.93Å; R851-L854 PolarHBondContact O-N 2.93Å; R851-E855 WeakPolarHBondContact O-CB 3.47Å; R851-E855 VanDerWaalsContact O-CG 3.26Å; R851-E855 WeakPolarHBondContact O-CG 3.47Å; R851-E855 PolarHBondContact O-N 3.33Å |
| 852 | N | 94.1 | Very high | 93.7 | Very high | 36 Ų | 36 | 36 Ų | 36 | 19% | 0.193 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.8 | -25.6 | 179.2 | -172.6 | -118.8 | 0 | 0 | 0 | 114.5 | L780 N784 Q848 V849 S850 E855 Q856 | L780-N852 HydrophobicContact CD2-CB 3.89Å; L780-N852 WeakPolarHBondContact CD2-OD1 3.25Å; N784-N852 PolarHBondContact ND2-OD1 2.93Å; N784-N852 VanDerWaalsContact ND2-OD1 3.09Å; Q848-N852 PolarHBondContact O-N 3.23Å; V849-N852 PolarHBondContact O-N 2.7Å; S850-N852 VanDerWaalsContact C-N 3.32Å; S850-N852 PolarHBondContact O-N 3.47Å; N852-E855 WeakPolarHBondContact CA-OE2 3.25Å; N852-E855 PolarHBondContact ND2-OE2 3.03Å; N852-E855 VanDerWaalsContact ND2-OE2 3.08Å; N852-Q856 WeakPolarHBondContact O-CG 3.37Å; N852-Q856 PolarHBondContact O-N 2.96Å; N852-Q856 PolarHBondContact O-NE2 2.9Å; N852-Q856 PolarHBondContact OD1-NE2 2.97Å |
| 853 | V | 94.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -75.3 | -40.6 | 171.6 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L783 V849 S850 R851 Q856 I857 P869 V874 V877 F893 | L783-V853 HydrophobicContact CD1-CG2 4.3Å; V849-V853 PolarHBondContact O-N 3.33Å; V849-V853 VanDerWaalsContact O-N 3.14Å; S850-V853 PolarHBondContact O-N 3.23Å; S850-V853 VanDerWaalsContact O-N 3.12Å; R851-V853 VanDerWaalsContact C-N 3.33Å; R851-V853 PolarHBondContact O-N 2.93Å; V853-Q856 PolarHBondContact O-N 2.97Å; V853-I857 HydrophobicContact CG1-CD1 4.13Å; V853-I857 PolarHBondContact O-N 3.45Å; V853-P869 HydrophobicContact CG1-CG 4.22Å; V853-V874 HydrophobicContact CG1-CG1 4.41Å; V853-V874 HydrophobicContact CG1-CG2 3.99Å; V853-V877 HydrophobicContact CG2-CG2 4.17Å; V853-F893 HydrophobicContact CB-CZ 4.12Å; V853-F893 HydrophobicContact CG1-CZ 4Å |
| 854 | L | 94.8 | Very high | 93.2 | Very high | 33 Ų | 33 | 43.8 Ų | 43.8 | 17% | 0.173 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.8 | -47.4 | 174.5 | -170.8 | 66.6 | 0 | 0 | 0 | 111.3 | S850 R851 Q856 I857 T858 F893 Q896 L897 E900 | S850-L854 PolarHBondContact O-N 3.07Å; R851-L854 PolarHBondContact O-N 2.93Å; L854-Q856 PolarHBondContact O-N 2.85Å; L854-I857 PolarHBondContact O-N 2.63Å; L854-T858 PolarHBondContact O-N 3.35Å; L854-T858 PolarHBondContact O-OG1 3.38Å; L854-F893 HydrophobicContact CB-CE2 4.19Å; L854-Q896 HydrophobicContact CD1-CB 4.05Å; L854-Q896 HydrophobicContact CD2-CB 4.22Å; L854-L897 HydrophobicContact CD1-CD2 4.17Å; L854-E900 HydrophobicContact CD1-CG 4.45Å |
| 855 | E | 93.8 | Very high | 93 | Very high | 110 Ų | 110 | 42.8 Ų | 42.8 | 51% | 0.514 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -51.5 | -41.7 | 174.9 | -77.5 | 167.3 | 178.5 | 0 | 0 | 112.4 | R851 N852 S859 | R851-E855 WeakPolarHBondContact O-CB 3.47Å; R851-E855 VanDerWaalsContact O-CG 3.26Å; R851-E855 WeakPolarHBondContact O-CG 3.47Å; R851-E855 PolarHBondContact O-N 3.33Å; N852-E855 WeakPolarHBondContact CA-OE2 3.25Å; N852-E855 PolarHBondContact ND2-OE2 3.03Å; N852-E855 VanDerWaalsContact ND2-OE2 3.08Å; E855-S859 WeakPolarHBondContact O-CB 3.3Å; E855-S859 PolarHBondContact O-N 3Å; E855-S859 PolarHBondContact O-OG 2.86Å |
| 856 | Q | 92.2 | Very high | 92.6 | Very high | 38 Ų | 38 | 51.4 Ų | 51.4 | 18% | 0.178 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 177.2 | -76.2 | 170.8 | 77.1 | 0 | 0 | 112.3 | N784 N852 V853 L854 F860 | N784-Q856 PolarHBondContact OD1-NE2 3.06Å; N852-Q856 WeakPolarHBondContact O-CG 3.37Å; N852-Q856 PolarHBondContact O-N 2.96Å; N852-Q856 PolarHBondContact O-NE2 2.9Å; N852-Q856 PolarHBondContact OD1-NE2 2.97Å; V853-Q856 PolarHBondContact O-N 2.97Å; L854-Q856 PolarHBondContact O-N 2.85Å; Q856-F860 PolarHBondContact O-N 3.41Å |
| 857 | I | 93.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70 | -47.8 | -178.9 | -71.4 | 170.3 | 0 | 0 | 0 | 110.7 | V853 L854 S859 F860 A861 L868 P869 L897 E900 V904 L923 | V853-I857 HydrophobicContact CG1-CD1 4.13Å; V853-I857 PolarHBondContact O-N 3.45Å; L854-I857 PolarHBondContact O-N 2.63Å; I857-S859 VanDerWaalsContact C-N 3.33Å; I857-S859 PolarHBondContact O-N 2.67Å; I857-F860 WeakPolarHBondContact O-CA 3.38Å; I857-F860 WeakPolarHBondContact O-CB 3.45Å; I857-F860 PolarHBondContact O-N 3.05Å; I857-A861 PolarHBondContact O-N 3.08Å; I857-L868 HydrophobicContact CG1-CD2 4.41Å; I857-P869 HydrophobicContact CD1-CG 3.74Å; I857-P869 HydrophobicContact CG1-CG 3.62Å; I857-L897 HydrophobicContact CD1-CD2 3.44Å; I857-L897 VanDerWaalsContact CD1-CD2 3.44Å; I857-E900 HydrophobicContact CG2-CB 3.99Å; I857-E900 HydrophobicContact CG2-CG 4.49Å; I857-V904 HydrophobicContact CG2-CG2 3.92Å; I857-L923 HydrophobicContact CD1-CD2 4.36Å |
| 858 | T | 94.5 | Very high | 92 | Very high | 41 Ų | 41 | 56.4 Ų | 56.4 | 25% | 0.252 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.9 | -36 | 175 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | L854 F860 A861 L862 E900 | L854-T858 PolarHBondContact O-N 3.35Å; L854-T858 PolarHBondContact O-OG1 3.38Å; T858-F860 VanDerWaalsContact C-N 3.27Å; T858-F860 PolarHBondContact O-N 3.36Å; T858-A861 PolarHBondContact O-N 3.49Å; T858-L862 HydrophobicContact CG2-CD1 3.9Å; T858-L862 HydrophobicContact CG2-CG 4.25Å; T858-L862 WeakPolarHBondContact O-CB 3.38Å; T858-L862 VanDerWaalsContact O-CG 3.27Å; T858-L862 WeakPolarHBondContact O-CG 3.42Å; T858-L862 PolarHBondContact O-N 2.82Å; T858-E900 VanDerWaalsContact CA-OE2 3.28Å; T858-E900 WeakPolarHBondContact CA-OE2 3.34Å; T858-E900 VanDerWaalsContact CB-OE2 3.3Å; T858-E900 WeakPolarHBondContact CB-OE2 3.46Å; T858-E900 WeakPolarHBondContact CG2-OE2 3.49Å; T858-E900 VanDerWaalsContact OG1-CD 3.3Å; T858-E900 PolarHBondContact OG1-OE2 3.01Å |
| 859 | S | 93.7 | Very high | 91.9 | Very high | 50 Ų | 50 | 52.9 Ų | 52.9 | 35% | 0.35 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.4 | -33.6 | 171.2 | -64.9 | 0 | 0 | 0 | 0 | 112.5 | E855 I857 M864 S865 | E855-S859 WeakPolarHBondContact O-CB 3.3Å; E855-S859 PolarHBondContact O-N 3Å; E855-S859 PolarHBondContact O-OG 2.86Å; I857-S859 VanDerWaalsContact C-N 3.33Å; I857-S859 PolarHBondContact O-N 2.67Å; S859-M864 CarbonylContact O-C 3.49Å; S859-M864 WeakPolarHBondContact O-CA 3.46Å; S859-M864 WeakPolarHBondContact O-CB 3.33Å; S859-M864 PolarHBondContact O-N 2.9Å; S859-S865 PolarHBondContact O-N 3.26Å |
| 860 | F | 93.3 | Very high | 91.6 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.2 | -46.4 | 172.5 | -175.3 | -84.7 | 0 | 0 | 0 | 111.5 | Q856 I857 T858 L862 G863 S865 L868 V904 E907 L908 K911 | Q856-F860 PolarHBondContact O-N 3.41Å; I857-F860 WeakPolarHBondContact O-CA 3.38Å; I857-F860 WeakPolarHBondContact O-CB 3.45Å; I857-F860 PolarHBondContact O-N 3.05Å; T858-F860 VanDerWaalsContact C-N 3.27Å; T858-F860 PolarHBondContact O-N 3.36Å; F860-L862 PolarHBondContact O-N 3.44Å; F860-G863 WeakPolarHBondContact O-CA 3.3Å; F860-G863 PolarHBondContact O-N 3.15Å; F860-S865 VanDerWaalsContact CD2-O 3.31Å; F860-S865 WeakPolarHBondContact CD2-O 3.43Å; F860-L868 HydrophobicContact CB-CD2 3.74Å; F860-L868 HydrophobicContact CB-CG 4.25Å; F860-L868 HydrophobicContact CD1-CD1 4.11Å; F860-L868 HydrophobicContact CD1-CD2 3.72Å; F860-L868 HydrophobicContact CD1-CG 3.94Å; F860-L868 HydrophobicContact CD2-CD1 4.39Å; F860-L868 HydrophobicContact CD2-CD2 4.21Å; F860-L868 HydrophobicContact CD2-CG 3.79Å; F860-L868 HydrophobicContact CE1-CD1 3.97Å; F860-L868 HydrophobicContact CE1-CD2 4.42Å; F860-L868 HydrophobicContact CE1-CG 4.25Å; F860-L868 HydrophobicContact CE2-CD1 4.24Å; F860-L868 HydrophobicContact CE2-CG 4.09Å; F860-L868 HydrophobicContact CG-CD1 4.33Å; F860-L868 HydrophobicContact CG-CD2 3.6Å; F860-L868 HydrophobicContact CG-CG 3.7Å; F860-L868 HydrophobicContact CZ-CD1 4.04Å; F860-L868 HydrophobicContact CZ-CG 4.32Å; F860-V904 HydrophobicContact CD1-CG1 4.16Å; F860-V904 HydrophobicContact CD1-CG2 4.5Å; F860-V904 HydrophobicContact CE1-CG1 4.22Å; F860-E907 HydrophobicContact CD1-CG 4.39Å; F860-E907 HydrophobicContact CE1-CB 4.11Å; F860-E907 HydrophobicContact CE1-CG 3.94Å; F860-E907 HydrophobicContact CZ-CG 4.41Å; F860-L908 HydrophobicContact CE1-CD2 4.09Å; F860-L908 HydrophobicContact CE1-CG 3.98Å; F860-L908 HydrophobicContact CZ-CD2 3.73Å; F860-L908 HydrophobicContact CZ-CG 4.12Å; F860-K911 HydrophobicContact CE2-CD 4.33Å; F860-K911 HydrophobicContact CZ-CD 4.16Å |
| 861 | A | 91.6 | Very high | 91.4 | Very high | 10 Ų | 10 | 57.4 Ų | 57.4 | 8% | 0.083 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.9 | -31.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I857 T858 G863 V903 V904 | I857-A861 PolarHBondContact O-N 3.08Å; T858-A861 PolarHBondContact O-N 3.49Å; A861-G863 VanDerWaalsContact C-N 3.28Å; A861-G863 PolarHBondContact O-N 3.34Å; A861-V903 HydrophobicContact CB-CB 4.12Å; A861-V903 HydrophobicContact CB-CG1 3.88Å; A861-V903 WeakPolarHBondContact O-CG1 3.36Å; A861-V904 HydrophobicContact CB-CG2 4.03Å |
| 862 | L | 93.4 | Very high | 91.1 | Very high | 125 Ų | 125 | 57.7 Ų | 57.7 | 65% | 0.654 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 5.3 | 172.9 | -65.3 | 174 | 0 | 0 | 0 | 113.9 | T858 F860 M864 | T858-L862 HydrophobicContact CG2-CD1 3.9Å; T858-L862 HydrophobicContact CG2-CG 4.25Å; T858-L862 WeakPolarHBondContact O-CB 3.38Å; T858-L862 VanDerWaalsContact O-CG 3.27Å; T858-L862 WeakPolarHBondContact O-CG 3.42Å; T858-L862 PolarHBondContact O-N 2.82Å; F860-L862 PolarHBondContact O-N 3.44Å; L862-M864 HydrophobicContact CB-CG 4.11Å; L862-M864 PolarHBondContact O-N 3.38Å |
| 863 | G | 88 | Confident | 90.9 | Very high | 27 Ų | 27 | 57.1 Ų | 57.1 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 3.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | F860 A861 | F860-G863 WeakPolarHBondContact O-CA 3.3Å; F860-G863 PolarHBondContact O-N 3.15Å; A861-G863 VanDerWaalsContact C-N 3.28Å; A861-G863 PolarHBondContact O-N 3.34Å |
| 864 | M | 90 | Very high | 90.8 | Very high | 157 Ų | 157 | 57.1 Ų | 57.1 | 77% | 0.773 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -81.2 | -15.6 | -176.5 | -60.4 | -67.8 | -74.2 | 0 | 0 | 113.3 | S859 L862 | S859-M864 CarbonylContact O-C 3.49Å; S859-M864 WeakPolarHBondContact O-CA 3.46Å; S859-M864 WeakPolarHBondContact O-CB 3.33Å; S859-M864 PolarHBondContact O-N 2.9Å; L862-M864 HydrophobicContact CB-CG 4.11Å; L862-M864 PolarHBondContact O-N 3.38Å |
| 865 | S | 87.2 | Confident | 90.6 | Very high | 24 Ų | 24 | 57.3 Ų | 57.3 | 17% | 0.168 | 29% | 0.292 | C | S | . | . | trans | -122.6 | 149.6 | 176.9 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | S859 F860 H867 | S859-S865 PolarHBondContact O-N 3.26Å; F860-S865 VanDerWaalsContact CD2-O 3.31Å; F860-S865 WeakPolarHBondContact CD2-O 3.43Å; S865-H867 PolarHBondContact OG-N 3.2Å; S865-H867 PolarHBondContact OG-O 2.65Å | ||
| 866 | Y | 86 | Confident | 90.5 | Very high | 181 Ų | 181 | 53.5 Ų | 53.5 | 71% | 0.71 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -106.7 | 9.6 | 168.4 | -69.9 | -92.4 | 0 | 0 | 0 | 112.3 | K911 | Y866-K911 HydrophobicContact CD1-CD 4.33Å; Y866-K911 HydrophobicContact CE1-CD 4.44Å |
| 867 | H | 85 | Confident | 90.6 | Very high | 97 Ų | 97 | 51.7 Ų | 51.7 | 45% | 0.449 | 27% | 0.265 | S | S | . | . | trans | -126.8 | 129.8 | -179.1 | -58.2 | -42.1 | 0 | 0 | 0 | 110.5 | K786 S865 | K786-H867 PolarHBondContact NZ-CD2 3.05Å; K786-H867 VanDerWaalsContact NZ-CD2 3.3Å; K786-H867 PolarHBondContact NZ-NE2 3.26Å; S865-H867 PolarHBondContact OG-N 3.2Å; S865-H867 PolarHBondContact OG-O 2.65Å | ||
| 868 | L | 89.3 | Confident | 90.6 | Very high | 32 Ų | 32 | 51.7 Ų | 51.7 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -101.1 | 150 | 166 | -75.4 | 163.5 | 0 | 0 | 0 | 109.3 | I857 F860 V904 L908 Y919 | I857-L868 HydrophobicContact CG1-CD2 4.41Å; F860-L868 HydrophobicContact CB-CD2 3.74Å; F860-L868 HydrophobicContact CB-CG 4.25Å; F860-L868 HydrophobicContact CD1-CD1 4.11Å; F860-L868 HydrophobicContact CD1-CD2 3.72Å; F860-L868 HydrophobicContact CD1-CG 3.94Å; F860-L868 HydrophobicContact CD2-CD1 4.39Å; F860-L868 HydrophobicContact CD2-CD2 4.21Å; F860-L868 HydrophobicContact CD2-CG 3.79Å; F860-L868 HydrophobicContact CE1-CD1 3.97Å; F860-L868 HydrophobicContact CE1-CD2 4.42Å; F860-L868 HydrophobicContact CE1-CG 4.25Å; F860-L868 HydrophobicContact CE2-CD1 4.24Å; F860-L868 HydrophobicContact CE2-CG 4.09Å; F860-L868 HydrophobicContact CG-CD1 4.33Å; F860-L868 HydrophobicContact CG-CD2 3.6Å; F860-L868 HydrophobicContact CG-CG 3.7Å; F860-L868 HydrophobicContact CZ-CD1 4.04Å; F860-L868 HydrophobicContact CZ-CG 4.32Å; L868-V904 HydrophobicContact CD1-CG1 4.07Å; L868-V904 HydrophobicContact CD2-CG1 4.05Å; L868-L908 HydrophobicContact CD1-CD1 4.27Å; L868-L908 HydrophobicContact CD1-CD2 4.03Å; L868-L908 HydrophobicContact CD1-CG 4.38Å; L868-Y919 HydrophobicContact CB-CE1 4.47Å; L868-Y919 HydrophobicContact CB-CE2 4.27Å; L868-Y919 HydrophobicContact CD1-CD1 3.96Å; L868-Y919 HydrophobicContact CD1-CE1 3.81Å; L868-Y919 HydrophobicContact CD1-CG 4.41Å; L868-Y919 HydrophobicContact CD2-CE1 4.11Å; L868-Y919 HydrophobicContact CG-CE1 4.36Å |
| 869 | P | 91.3 | Very high | 90.5 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.032 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 147.9 | 168.7 | 31.1 | -34.2 | 0 | 0 | 0 | 110.3 | V853 I857 V874 Y919 | V853-P869 HydrophobicContact CG1-CG 4.22Å; I857-P869 HydrophobicContact CD1-CG 3.74Å; I857-P869 HydrophobicContact CG1-CG 3.62Å; P869-V874 HydrophobicContact CB-CG2 4.47Å; P869-V874 HydrophobicContact CG-CG2 4.2Å; P869-Y919 VanDerWaalsContact O-CE2 3.28Å; P869-Y919 WeakPolarHBondContact O-CE2 3.29Å; P869-Y919 PolarHBondContact O-OH 3.08Å |
| 870 | L | 89.1 | Confident | 90.5 | Very high | 75 Ų | 75 | 48.8 Ų | 48.8 | 39% | 0.393 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -66.2 | 144.4 | 175.2 | -62.1 | 174.6 | 0 | 0 | 0 | 110.7 | Q872 H873 V874 | L870-Q872 VanDerWaalsContact C-N 3.26Å; L870-Q872 HydrophobicContact CB-CG 3.82Å; L870-Q872 HydrophobicContact CD1-CG 4.44Å; L870-Q872 PolarHBondContact O-N 3.39Å; L870-H873 HydrophobicContact CB-CB 4.48Å; L870-H873 WeakPolarHBondContact O-CA 3.21Å; L870-H873 VanDerWaalsContact O-CB 3.28Å; L870-H873 WeakPolarHBondContact O-CB 3.32Å; L870-H873 PolarHBondContact O-N 3.01Å; L870-V874 PolarHBondContact O-N 2.98Å |
| 871 | V | 89.8 | Confident | 90.6 | Very high | 32 Ų | 32 | 48.6 Ų | 48.6 | 19% | 0.194 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.7 | -40.1 | -179.1 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | H873 V874 Q875 Y919 L923 | V871-H873 PolarHBondContact O-N 2.87Å; V871-V874 PolarHBondContact O-N 3.47Å; V871-V874 VanDerWaalsContact O-N 3.11Å; V871-Q875 PolarHBondContact O-N 2.91Å; V871-Y919 HydrophobicContact CG2-CD2 3.92Å; V871-Y919 HydrophobicContact CG2-CE2 3.8Å; V871-L923 HydrophobicContact CG2-CB 4.38Å |
| 872 | Q | 86.8 | Confident | 90.6 | Very high | 128 Ų | 128 | 48.2 Ų | 48.2 | 60% | 0.598 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -58 | -30.3 | 172.3 | 59.9 | 172.3 | 26.5 | 0 | 0 | 114.1 | L870 F876 | L870-Q872 VanDerWaalsContact C-N 3.26Å; L870-Q872 HydrophobicContact CB-CG 3.82Å; L870-Q872 HydrophobicContact CD1-CG 4.44Å; L870-Q872 PolarHBondContact O-N 3.39Å; Q872-F876 WeakPolarHBondContact O-CB 2.94Å; Q872-F876 PolarHBondContact O-N 3.17Å |
| 873 | H | 89.9 | Confident | 90.5 | Very high | 24 Ų | 24 | 44.3 Ų | 44.3 | 11% | 0.111 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.3 | -39.5 | 176.2 | -69.5 | -175.3 | 0 | 0 | 0 | 110.6 | V782 L783 L870 V871 F876 V877 | V782-H873 PolarHBondContact O-CE1 3.37Å; L783-H873 HydrophobicContact CD2-CB 3.64Å; L783-H873 PolarHBondContact O-CE1 3.41Å; L783-H873 PolarHBondContact O-ND1 3.28Å; L870-H873 HydrophobicContact CB-CB 4.48Å; L870-H873 WeakPolarHBondContact O-CA 3.21Å; L870-H873 VanDerWaalsContact O-CB 3.28Å; L870-H873 WeakPolarHBondContact O-CB 3.32Å; L870-H873 PolarHBondContact O-N 3.01Å; V871-H873 PolarHBondContact O-N 2.87Å; H873-F876 PolarHBondContact O-N 3.37Å; H873-V877 WeakPolarHBondContact O-CG2 3.37Å; H873-V877 PolarHBondContact O-N 3.35Å |
| 874 | V | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.3 | -42.5 | 175.1 | -167.5 | 0 | 0 | 0 | 0 | 110.9 | V853 P869 L870 V871 F876 V877 F878 L897 L923 | V853-V874 HydrophobicContact CG1-CG1 4.41Å; V853-V874 HydrophobicContact CG1-CG2 3.99Å; P869-V874 HydrophobicContact CB-CG2 4.47Å; P869-V874 HydrophobicContact CG-CG2 4.2Å; L870-V874 PolarHBondContact O-N 2.98Å; V871-V874 PolarHBondContact O-N 3.47Å; V871-V874 VanDerWaalsContact O-N 3.11Å; V874-F876 VanDerWaalsContact C-N 3.35Å; V874-F876 PolarHBondContact O-N 2.84Å; V874-V877 WeakPolarHBondContact O-CA 3.28Å; V874-V877 WeakPolarHBondContact O-CB 3.35Å; V874-V877 PolarHBondContact O-N 3.25Å; V874-F878 HydrophobicContact CG1-CE1 4.06Å; V874-F878 HydrophobicContact CG1-CE2 4.38Å; V874-F878 HydrophobicContact CG1-CZ 3.92Å; V874-F878 PolarHBondContact O-N 3.31Å; V874-L897 HydrophobicContact CG1-CD1 3.72Å; V874-L923 HydrophobicContact CB-CD1 4.02Å; V874-L923 HydrophobicContact CG1-CD1 3.92Å; V874-L923 HydrophobicContact CG2-CD1 4.16Å |
| 875 | Q | 91.4 | Very high | 90.8 | Very high | 37 Ų | 37 | 36.4 Ų | 36.4 | 17% | 0.173 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.9 | -42 | 175.6 | -170.5 | -173.2 | -58.6 | 0 | 0 | 112.1 | V871 V877 F878 D879 S1203 | V871-Q875 PolarHBondContact O-N 2.91Å; Q875-V877 PolarHBondContact O-N 3.43Å; Q875-F878 WeakPolarHBondContact O-CB 3.46Å; Q875-F878 PolarHBondContact O-N 3.45Å; Q875-F878 VanDerWaalsContact O-N 3.08Å; Q875-D879 PolarHBondContact O-N 2.86Å; Q875-S1203 VanDerWaalsContact CD-OG 3.29Å; Q875-S1203 WeakPolarHBondContact CG-OG 3.48Å; Q875-S1203 VanDerWaalsContact NE2-N 3.16Å; Q875-S1203 PolarHBondContact NE2-OG 3.17Å; Q875-S1203 VanDerWaalsContact NE2-OG 3.09Å |
| 876 | F | 90.9 | Very high | 91 | Very high | 30 Ų | 30 | 36 Ų | 36 | 13% | 0.132 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62 | -30.2 | 174 | -176.6 | -116.3 | 0 | 0 | 0 | 112.9 | L783 A827 F831 Q872 H873 V874 L880 | L783-F876 HydrophobicContact CD2-CD1 4.39Å; A827-F876 HydrophobicContact CB-CE2 4.06Å; A827-F876 HydrophobicContact CB-CZ 4.07Å; F831-F876 HydrophobicContact CB-CE2 4.24Å; F831-F876 HydrophobicContact CB-CZ 4.37Å; F831-F876 AromaticContact CD2-CE2 3.92Å; F831-F876 HydrophobicContact CD2-CE2 3.92Å; F831-F876 HydrophobicContact CD2-CZ 4.37Å; F831-F876 HydrophobicContact CG-CE2 4.49Å; Q872-F876 WeakPolarHBondContact O-CB 2.94Å; Q872-F876 PolarHBondContact O-N 3.17Å; H873-F876 PolarHBondContact O-N 3.37Å; V874-F876 VanDerWaalsContact C-N 3.35Å; V874-F876 PolarHBondContact O-N 2.84Å; F876-L880 HydrophobicContact CD1-CD1 3.93Å; F876-L880 HydrophobicContact CE1-CD1 3.7Å; F876-L880 HydrophobicContact CE1-CG 4.37Å; F876-L880 HydrophobicContact CZ-CD1 4.12Å; F876-L880 HydrophobicContact CZ-CD2 4.44Å; F876-L880 HydrophobicContact CZ-CG 4.34Å; F876-L880 VanDerWaalsContact O-CG 3.26Å; F876-L880 WeakPolarHBondContact O-CG 3.48Å; F876-L880 PolarHBondContact O-N 3.04Å; F876-L880 VanDerWaalsContact O-N 3.09Å |
| 877 | V | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -71.6 | -38 | 172.1 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | L783 V849 V853 H873 V874 Q875 L880 M881 F893 | L783-V877 HydrophobicContact CD1-CG2 3.93Å; L783-V877 HydrophobicContact CD2-CG2 4.16Å; V849-V877 HydrophobicContact CG1-CB 4.35Å; V849-V877 HydrophobicContact CG1-CG1 4Å; V849-V877 HydrophobicContact CG1-CG2 3.42Å; V849-V877 VanDerWaalsContact CG1-CG2 3.42Å; V853-V877 HydrophobicContact CG2-CG2 4.17Å; H873-V877 WeakPolarHBondContact O-CG2 3.37Å; H873-V877 PolarHBondContact O-N 3.35Å; V874-V877 WeakPolarHBondContact O-CA 3.28Å; V874-V877 WeakPolarHBondContact O-CB 3.35Å; V874-V877 PolarHBondContact O-N 3.25Å; Q875-V877 PolarHBondContact O-N 3.43Å; V877-L880 PolarHBondContact O-N 3.2Å; V877-M881 HydrophobicContact CG1-CG 4.38Å; V877-M881 HydrophobicContact CG1-SD 3.96Å; V877-M881 WeakPolarHBondContact O-CB 3.4Å; V877-M881 VanDerWaalsContact O-CG 3.28Å; V877-M881 WeakPolarHBondContact O-CG 3.33Å; V877-M881 PolarHBondContact O-N 3.02Å; V877-F893 HydrophobicContact CB-CE1 4.41Å; V877-F893 HydrophobicContact CG1-CD1 4.5Å; V877-F893 HydrophobicContact CG1-CE1 3.74Å; V877-F893 HydrophobicContact CG1-CZ 4.39Å |
| 878 | F | 94.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 23 Ų | 23 | 1% | 0.013 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.2 | -47.1 | 171.8 | -62.6 | -21.2 | 0 | 0 | 0 | 111.4 | V874 Q875 L880 M881 E882 L890 F893 L897 C926 I927 V930 | V874-F878 HydrophobicContact CG1-CE1 4.06Å; V874-F878 HydrophobicContact CG1-CE2 4.38Å; V874-F878 HydrophobicContact CG1-CZ 3.92Å; V874-F878 PolarHBondContact O-N 3.31Å; Q875-F878 WeakPolarHBondContact O-CB 3.46Å; Q875-F878 PolarHBondContact O-N 3.45Å; Q875-F878 VanDerWaalsContact O-N 3.08Å; F878-L880 VanDerWaalsContact C-N 3.33Å; F878-L880 PolarHBondContact O-N 3.47Å; F878-M881 PolarHBondContact O-N 2.9Å; F878-M881 VanDerWaalsContact O-N 3.12Å; F878-E882 PolarHBondContact O-N 3.12Å; F878-L890 HydrophobicContact CB-CD1 3.89Å; F878-L890 HydrophobicContact CD1-CD1 3.45Å; F878-L890 VanDerWaalsContact CD1-CD1 3.45Å; F878-L890 HydrophobicContact CE1-CD1 4.21Å; F878-L890 HydrophobicContact CG-CD1 3.89Å; F878-F893 HydrophobicContact CD1-CD1 4.03Å; F878-F893 HydrophobicContact CD1-CE1 4.02Å; F878-F893 AromaticContact CE1-CD1 3.7Å; F878-F893 HydrophobicContact CE1-CD1 3.7Å; F878-F893 AromaticContact CE1-CE1 3.7Å; F878-F893 HydrophobicContact CE1-CE1 3.7Å; F878-L897 HydrophobicContact CE1-CD1 3.76Å; F878-L897 HydrophobicContact CZ-CD1 3.71Å; F878-C926 HydrophobicContact CE2-CB 4.05Å; F878-I927 HydrophobicContact CE2-CG1 4.35Å; F878-I927 HydrophobicContact CZ-CG1 4.01Å; F878-V930 HydrophobicContact CB-CG2 4.19Å; F878-V930 HydrophobicContact CD2-CG2 3.68Å; F878-V930 HydrophobicContact CE2-CG2 4.24Å; F878-V930 HydrophobicContact CG-CG2 4.08Å |
| 879 | D | 91.8 | Very high | 92 | Very high | 29 Ų | 29 | 22.6 Ų | 22.6 | 16% | 0.155 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61 | -39 | 178.8 | -66.4 | 3.7 | 0 | 0 | 0 | 112.1 | Q875 Y883 S1203 | Q875-D879 PolarHBondContact O-N 2.86Å; D879-Y883 WeakPolarHBondContact O-CB 3.49Å; D879-Y883 PolarHBondContact O-N 3.34Å; D879-S1203 WeakPolarHBondContact OD1-CB 3.46Å; D879-S1203 PolarHBondContact OD1-OG 3.21Å; D879-S1203 WeakPolarHBondContact OD2-CB 3.45Å; D879-S1203 PolarHBondContact OD2-OG 3.31Å |
| 880 | L | 93.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.2 | -39.8 | 173.4 | -74.6 | 167.5 | 0 | 0 | 0 | 112.8 | I779 F831 F834 T846 F876 V877 F878 S884 | I779-L880 HydrophobicContact CD1-CD1 4.36Å; I779-L880 HydrophobicContact CG2-CD1 4.38Å; F831-L880 HydrophobicContact CD2-CD2 3.56Å; F831-L880 HydrophobicContact CD2-CG 4.24Å; F831-L880 HydrophobicContact CE2-CD2 3.86Å; F831-L880 HydrophobicContact CE2-CG 4.34Å; F834-L880 HydrophobicContact CB-CD2 4.28Å; F834-L880 HydrophobicContact CD1-CD2 3.44Å; F834-L880 VanDerWaalsContact CD1-CD2 3.44Å; F834-L880 HydrophobicContact CD2-CD2 4.03Å; F834-L880 HydrophobicContact CE1-CB 4.34Å; F834-L880 HydrophobicContact CE1-CD2 3.56Å; F834-L880 HydrophobicContact CE2-CD2 4.13Å; F834-L880 HydrophobicContact CG-CD2 3.67Å; F834-L880 HydrophobicContact CZ-CB 4.23Å; F834-L880 HydrophobicContact CZ-CD2 3.89Å; F834-L880 WeakPolarHBondContact CZ-O 3.5Å; T846-L880 HydrophobicContact CG2-CB 3.98Å; F876-L880 HydrophobicContact CD1-CD1 3.93Å; F876-L880 HydrophobicContact CE1-CD1 3.7Å; F876-L880 HydrophobicContact CE1-CG 4.37Å; F876-L880 HydrophobicContact CZ-CD1 4.12Å; F876-L880 HydrophobicContact CZ-CD2 4.44Å; F876-L880 HydrophobicContact CZ-CG 4.34Å; F876-L880 VanDerWaalsContact O-CG 3.26Å; F876-L880 WeakPolarHBondContact O-CG 3.48Å; F876-L880 PolarHBondContact O-N 3.04Å; F876-L880 VanDerWaalsContact O-N 3.09Å; V877-L880 PolarHBondContact O-N 3.2Å; F878-L880 VanDerWaalsContact C-N 3.33Å; F878-L880 PolarHBondContact O-N 3.47Å; L880-S884 WeakPolarHBondContact O-CB 3.36Å; L880-S884 PolarHBondContact O-N 3.2Å; L880-S884 VanDerWaalsContact O-N 3.16Å; L880-S884 PolarHBondContact O-OG 3.26Å |
| 881 | M | 94.7 | Very high | 92.5 | Very high | 4 Ų | 4 | 18.9 Ų | 18.9 | 2% | 0.02 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -73.3 | -33.8 | 179.6 | -73.6 | 179.6 | 82 | 0 | 0 | 112.9 | T846 V877 F878 S884 S886 G889 L890 F893 | T846-M881 HydrophobicContact CG2-CG 3.88Å; V877-M881 HydrophobicContact CG1-CG 4.38Å; V877-M881 HydrophobicContact CG1-SD 3.96Å; V877-M881 WeakPolarHBondContact O-CB 3.4Å; V877-M881 VanDerWaalsContact O-CG 3.28Å; V877-M881 WeakPolarHBondContact O-CG 3.33Å; V877-M881 PolarHBondContact O-N 3.02Å; F878-M881 PolarHBondContact O-N 2.9Å; F878-M881 VanDerWaalsContact O-N 3.12Å; M881-S884 PolarHBondContact O-OG 2.86Å; M881-S884 VanDerWaalsContact O-OG 3.14Å; M881-S886 WeakPolarHBondContact O-CB 3.48Å; M881-S886 PolarHBondContact O-N 2.86Å; M881-G889 WeakPolarHBondContact CE-O 3.47Å; M881-L890 HydrophobicContact CB-CB 4.14Å; M881-L890 HydrophobicContact CB-CD1 4.14Å; M881-L890 HydrophobicContact CE-CB 4.38Å; M881-L890 HydrophobicContact SD-CD1 4.49Å; M881-F893 HydrophobicContact CE-CB 4.29Å; M881-F893 HydrophobicContact SD-CD1 3.72Å; M881-F893 HydrophobicContact SD-CE1 4.34Å; M881-F893 HydrophobicContact SD-CG 4.44Å |
| 882 | E | 92 | Very high | 92.7 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.009 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -70.6 | -46.9 | 173.4 | -179.6 | 170.2 | -173.2 | 0 | 0 | 111.5 | R520 F878 S884 L885 L890 H933 Y934 L1186 H1207 | R520-E882 IonicContact CZ-OE1 2.94Å; R520-E882 IonicContact NH1-OE1 3.19Å; R520-E882 PolarHBondContact NH1-OE1 3.1Å; R520-E882 IonicContact NH2-OE1 2.83Å; F878-E882 PolarHBondContact O-N 3.12Å; E882-S884 PolarHBondContact O-N 2.83Å; E882-L885 PolarHBondContact O-N 3.04Å; E882-L890 HydrophobicContact CB-CD2 4.07Å; E882-H933 IonicContact OE1-NE2 2.67Å; E882-Y934 HydrophobicContact CG-CE2 4.46Å; E882-Y934 WeakPolarHBondContact CG-OH 3.36Å; E882-Y934 PolarHBondContact OE1-OH 3.2Å; E882-L1186 HydrophobicContact CG-CD1 3.81Å; E882-L1186 HydrophobicContact CG-CD2 4.26Å; E882-L1186 WeakPolarHBondContact OE1-CD2 3.45Å; E882-L1186 WeakPolarHBondContact OE2-CD2 3.48Å; E882-H1207 IonicContact OE2-CD2 2.72Å; E882-H1207 IonicContact OE2-CE1 3.21Å; E882-H1207 IonicContact OE2-NE2 2.63Å; E882-H1207 PolarHBondContact OE2-NE2 3.12Å |
| 883 | Y | 90.6 | Very high | 93.2 | Very high | 42 Ų | 42 | 13 Ų | 13 | 17% | 0.165 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.5 | -35.6 | 177.6 | -176.2 | -86.1 | 0 | 0 | 0 | 112 | F831 F834 Q835 D879 L885 | F831-Y883 HydrophobicContact CE1-CD2 4.45Å; F831-Y883 HydrophobicContact CZ-CD2 4.15Å; F831-Y883 HydrophobicContact CZ-CG 4.06Å; F834-Y883 HydrophobicContact CD1-CD1 4.26Å; F834-Y883 AromaticContact CE1-CD1 3.96Å; F834-Y883 HydrophobicContact CE1-CD1 3.96Å; Q835-Y883 HydrophobicContact CB-CE1 4.1Å; Q835-Y883 HydrophobicContact CG-CD1 4.32Å; Q835-Y883 HydrophobicContact CG-CE1 3.73Å; Q835-Y883 HydrophobicContact CG-CE2 4.01Å; D879-Y883 WeakPolarHBondContact O-CB 3.49Å; D879-Y883 PolarHBondContact O-N 3.34Å; Y883-L885 PolarHBondContact O-N 3.16Å |
| 884 | S | 92.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -6.1 | 178 | 70.1 | 0 | 0 | 0 | 0 | 115.1 | H839 Q842 H843 L880 M881 E882 S886 | H839-S884 PolarHBondContact ND1-O 3.19Å; Q842-S884 VanDerWaalsContact OE1-CA 3.26Å; H843-S884 PolarHBondContact CD2-O 3.36Å; H843-S884 PolarHBondContact NE2-O 3.15Å; H843-S884 VanDerWaalsContact NE2-O 3.14Å; L880-S884 WeakPolarHBondContact O-CB 3.36Å; L880-S884 PolarHBondContact O-N 3.2Å; L880-S884 VanDerWaalsContact O-N 3.16Å; L880-S884 PolarHBondContact O-OG 3.26Å; M881-S884 PolarHBondContact O-OG 2.86Å; M881-S884 VanDerWaalsContact O-OG 3.14Å; E882-S884 PolarHBondContact O-N 2.83Å; S884-S886 VanDerWaalsContact C-N 3.28Å; S884-S886 WeakPolarHBondContact OG-CB 3.31Å |
| 885 | L | 91.9 | Very high | 93.7 | Very high | 18 Ų | 18 | 12.1 Ų | 12.1 | 9% | 0.094 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 19.7 | -172.9 | -48.8 | 172.6 | 0 | 0 | 0 | 113.8 | F595 V598 L599 E882 Y883 I887 | F595-L885 HydrophobicContact CB-CD1 3.96Å; F595-L885 HydrophobicContact CG-CD1 4.44Å; F595-L885 WeakPolarHBondContact O-CD1 3.41Å; V598-L885 HydrophobicContact CB-CD1 4.5Å; V598-L885 HydrophobicContact CG1-CD1 4.35Å; L599-L885 HydrophobicContact CD1-CB 4.37Å; L599-L885 WeakPolarHBondContact CD1-O 3.2Å; E882-L885 PolarHBondContact O-N 3.04Å; Y883-L885 PolarHBondContact O-N 3.16Å; L885-I887 PolarHBondContact O-N 3.1Å |
| 886 | S | 92.7 | Very high | 93.8 | Very high | 15 Ų | 15 | 14.4 Ų | 14.4 | 11% | 0.105 | 8% | 0.076 | C | C | . | . | trans | -80.6 | 50.7 | -179.5 | -150.9 | 0 | 0 | 0 | 0 | 112.3 | H843 M881 S884 G889 L890 | H843-S886 PolarHBondContact CE1-OG 2.71Å; H843-S886 WeakPolarHBondContact NE2-CA 3.48Å; H843-S886 WeakPolarHBondContact NE2-CB 3.47Å; H843-S886 PolarHBondContact NE2-N 3.18Å; M881-S886 WeakPolarHBondContact O-CB 3.48Å; M881-S886 PolarHBondContact O-N 2.86Å; S884-S886 VanDerWaalsContact C-N 3.28Å; S884-S886 WeakPolarHBondContact OG-CB 3.31Å; S886-G889 CarbonylContact O-C 3.45Å; S886-G889 PolarHBondContact O-N 2.77Å; S886-L890 WeakPolarHBondContact O-CB 3.41Å; S886-L890 PolarHBondContact O-N 3.09Å | ||
| 887 | I | 93.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.9 | -47 | -166.3 | -59.9 | 167.3 | 0 | 0 | 0 | 111.9 | R520 M524 L599 L885 G889 L890 I891 Y934 | R520-I887 HydrophobicContact CB-CD1 3.56Å; R520-I887 HydrophobicContact CG-CD1 3.99Å; M524-I887 HydrophobicContact SD-CG2 4.45Å; L599-I887 HydrophobicContact CD1-CD1 3.85Å; L599-I887 HydrophobicContact CD1-CG1 4.39Å; L599-I887 HydrophobicContact CD2-CD1 3.76Å; L599-I887 HydrophobicContact CG-CD1 4.49Å; L885-I887 PolarHBondContact O-N 3.1Å; I887-G889 VanDerWaalsContact C-N 3.31Å; I887-G889 PolarHBondContact O-N 3.19Å; I887-L890 WeakPolarHBondContact O-CB 3.37Å; I887-L890 PolarHBondContact O-N 3.39Å; I887-I891 HydrophobicContact CG2-CD1 4.11Å; I887-I891 WeakPolarHBondContact O-CG1 3.44Å; I887-I891 PolarHBondContact O-N 2.7Å; I887-Y934 HydrophobicContact CB-CE1 4.4Å; I887-Y934 HydrophobicContact CD1-CE1 3.85Å; I887-Y934 HydrophobicContact CG1-CE1 3.99Å; I887-Y934 HydrophobicContact CG2-CD1 3.53Å; I887-Y934 HydrophobicContact CG2-CE1 3.51Å; I887-Y934 HydrophobicContact CG2-CG 4.14Å |
| 888 | S | 93.2 | Very high | 94.1 | Very high | 5 Ų | 5 | 13.2 Ų | 13.2 | 4% | 0.035 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.4 | -42.4 | 173.5 | -72.2 | 0 | 0 | 0 | 0 | 111.8 | M524 E603 L890 I891 D892 | M524-S888 WeakPolarHBondContact CE-OG 3.43Å; E603-S888 VanDerWaalsContact OE1-CB 3.29Å; E603-S888 WeakPolarHBondContact OE1-CB 3.45Å; E603-S888 PolarHBondContact OE1-OG 2.65Å; E603-S888 PolarHBondContact OE2-OG 3.1Å; S888-L890 VanDerWaalsContact C-N 3.33Å; S888-L890 PolarHBondContact O-N 3.25Å; S888-I891 PolarHBondContact O-N 3.3Å; S888-D892 WeakPolarHBondContact O-CB 3.47Å; S888-D892 PolarHBondContact O-N 2.9Å |
| 889 | G | 93.3 | Very high | 94 | Very high | 23 Ų | 23 | 15.6 Ų | 15.6 | 24% | 0.237 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.1 | -34.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | M881 S886 I887 F893 | M881-G889 WeakPolarHBondContact CE-O 3.47Å; S886-G889 CarbonylContact O-C 3.45Å; S886-G889 PolarHBondContact O-N 2.77Å; I887-G889 VanDerWaalsContact C-N 3.31Å; I887-G889 PolarHBondContact O-N 3.19Å; G889-F893 WeakPolarHBondContact O-CB 3.28Å; G889-F893 PolarHBondContact O-N 3.42Å |
| 890 | L | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.5 | -42.4 | 176.6 | 175.2 | 57.1 | 0 | 0 | 0 | 111.3 | F878 M881 E882 S886 I887 S888 A894 V930 Y934 | F878-L890 HydrophobicContact CB-CD1 3.89Å; F878-L890 HydrophobicContact CD1-CD1 3.45Å; F878-L890 VanDerWaalsContact CD1-CD1 3.45Å; F878-L890 HydrophobicContact CE1-CD1 4.21Å; F878-L890 HydrophobicContact CG-CD1 3.89Å; M881-L890 HydrophobicContact CB-CB 4.14Å; M881-L890 HydrophobicContact CB-CD1 4.14Å; M881-L890 HydrophobicContact CE-CB 4.38Å; M881-L890 HydrophobicContact SD-CD1 4.49Å; E882-L890 HydrophobicContact CB-CD2 4.07Å; S886-L890 WeakPolarHBondContact O-CB 3.41Å; S886-L890 PolarHBondContact O-N 3.09Å; I887-L890 WeakPolarHBondContact O-CB 3.37Å; I887-L890 PolarHBondContact O-N 3.39Å; S888-L890 VanDerWaalsContact C-N 3.33Å; S888-L890 PolarHBondContact O-N 3.25Å; L890-A894 VanDerWaalsContact O-CB 3.24Å; L890-A894 WeakPolarHBondContact O-CB 3.35Å; L890-A894 PolarHBondContact O-N 3.32Å; L890-V930 HydrophobicContact CD1-CG1 4Å; L890-V930 HydrophobicContact CD2-CG1 3.82Å; L890-V930 HydrophobicContact CG-CG1 3.69Å; L890-Y934 HydrophobicContact CD2-CE2 4.23Å |
| 891 | I | 95.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 2% | 0.015 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.8 | -49.3 | 173.5 | -66.2 | 167.1 | 0 | 0 | 0 | 110 | I887 S888 F893 A894 I895 L931 C937 L938 | I887-I891 HydrophobicContact CG2-CD1 4.11Å; I887-I891 WeakPolarHBondContact O-CG1 3.44Å; I887-I891 PolarHBondContact O-N 2.7Å; S888-I891 PolarHBondContact O-N 3.3Å; I891-F893 VanDerWaalsContact C-N 3.32Å; I891-F893 PolarHBondContact O-N 2.83Å; I891-A894 PolarHBondContact O-N 3.34Å; I891-I895 HydrophobicContact CG2-CD1 3.76Å; I891-I895 HydrophobicContact CG2-CG1 4.44Å; I891-I895 VanDerWaalsContact O-CG1 3.27Å; I891-I895 WeakPolarHBondContact O-CG1 3.26Å; I891-I895 PolarHBondContact O-N 2.99Å; I891-L931 HydrophobicContact CG2-CD2 4.15Å; I891-C937 HydrophobicContact CD1-CB 3.6Å; I891-L938 HydrophobicContact CG2-CD1 4.04Å |
| 892 | D | 94.9 | Very high | 93.6 | Very high | 30 Ų | 30 | 19.6 Ų | 19.6 | 16% | 0.16 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.3 | -43.9 | 178.5 | -68.7 | -13 | 0 | 0 | 0 | 111.2 | R606 S888 I895 Q896 Q944 | R606-D892 IonicContact CZ-OD2 3.75Å; R606-D892 IonicContact NH1-OD2 3.66Å; R606-D892 PolarHBondContact NH1-OD2 2.89Å; R606-D892 IonicContact NH2-OD1 3.33Å; R606-D892 IonicContact NH2-OD2 2.79Å; R606-D892 PolarHBondContact NH2-OD2 3.16Å; S888-D892 WeakPolarHBondContact O-CB 3.47Å; S888-D892 PolarHBondContact O-N 2.9Å; D892-I895 PolarHBondContact O-N 3.36Å; D892-Q896 WeakPolarHBondContact O-CG 3.48Å; D892-Q896 PolarHBondContact O-N 3.33Å; D892-Q944 PolarHBondContact OD1-NE2 3Å |
| 893 | F | 96.4 | Very high | 93.5 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 2% | 0.022 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.6 | -43 | 176.4 | 178 | -132.9 | 0 | 0 | 0 | 112.8 | S850 V853 L854 V877 F878 M881 G889 I891 I895 Q896 L897 | S850-F893 WeakPolarHBondContact O-CE2 3.47Å; V853-F893 HydrophobicContact CB-CZ 4.12Å; V853-F893 HydrophobicContact CG1-CZ 4Å; L854-F893 HydrophobicContact CB-CE2 4.19Å; V877-F893 HydrophobicContact CB-CE1 4.41Å; V877-F893 HydrophobicContact CG1-CD1 4.5Å; V877-F893 HydrophobicContact CG1-CE1 3.74Å; V877-F893 HydrophobicContact CG1-CZ 4.39Å; F878-F893 HydrophobicContact CD1-CD1 4.03Å; F878-F893 HydrophobicContact CD1-CE1 4.02Å; F878-F893 AromaticContact CE1-CD1 3.7Å; F878-F893 HydrophobicContact CE1-CD1 3.7Å; F878-F893 AromaticContact CE1-CE1 3.7Å; F878-F893 HydrophobicContact CE1-CE1 3.7Å; M881-F893 HydrophobicContact CE-CB 4.29Å; M881-F893 HydrophobicContact SD-CD1 3.72Å; M881-F893 HydrophobicContact SD-CE1 4.34Å; M881-F893 HydrophobicContact SD-CG 4.44Å; G889-F893 WeakPolarHBondContact O-CB 3.28Å; G889-F893 PolarHBondContact O-N 3.42Å; I891-F893 VanDerWaalsContact C-N 3.32Å; I891-F893 PolarHBondContact O-N 2.83Å; F893-I895 VanDerWaalsContact C-N 3.3Å; F893-I895 PolarHBondContact O-N 3.09Å; F893-Q896 PolarHBondContact O-N 3.41Å; F893-L897 HydrophobicContact CD1-CD1 4.25Å; F893-L897 HydrophobicContact CD2-CD1 4.22Å; F893-L897 HydrophobicContact CD2-CG 4.1Å; F893-L897 HydrophobicContact CE1-CD1 3.9Å; F893-L897 HydrophobicContact CE2-CD1 3.87Å; F893-L897 HydrophobicContact CE2-CD2 3.93Å; F893-L897 HydrophobicContact CE2-CG 3.83Å; F893-L897 HydrophobicContact CG-CD1 4.4Å; F893-L897 HydrophobicContact CZ-CD1 3.71Å; F893-L897 HydrophobicContact CZ-CD2 4.25Å; F893-L897 HydrophobicContact CZ-CG 4.17Å; F893-L897 WeakPolarHBondContact O-CG 3.3Å; F893-L897 PolarHBondContact O-N 2.99Å |
| 894 | A | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.3 | -36.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L890 I891 L898 I927 L931 | L890-A894 VanDerWaalsContact O-CB 3.24Å; L890-A894 WeakPolarHBondContact O-CB 3.35Å; L890-A894 PolarHBondContact O-N 3.32Å; I891-A894 PolarHBondContact O-N 3.34Å; A894-L898 WeakPolarHBondContact O-CB 3.27Å; A894-L898 PolarHBondContact O-N 3.42Å; A894-I927 HydrophobicContact CB-CG2 4.36Å; A894-L931 HydrophobicContact CB-CD2 4.15Å; A894-L931 HydrophobicContact CB-CG 4.29Å |
| 895 | I | 96.1 | Very high | 93.5 | Very high | 6 Ų | 6 | 22 Ų | 22 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.3 | -45.7 | 173 | -67.9 | 170.5 | 0 | 0 | 0 | 110.9 | I891 D892 F893 L897 L898 N899 L938 Q944 Q947 V948 | I891-I895 HydrophobicContact CG2-CD1 3.76Å; I891-I895 HydrophobicContact CG2-CG1 4.44Å; I891-I895 VanDerWaalsContact O-CG1 3.27Å; I891-I895 WeakPolarHBondContact O-CG1 3.26Å; I891-I895 PolarHBondContact O-N 2.99Å; D892-I895 PolarHBondContact O-N 3.36Å; F893-I895 VanDerWaalsContact C-N 3.3Å; F893-I895 PolarHBondContact O-N 3.09Å; I895-L897 PolarHBondContact O-N 3.25Å; I895-L898 WeakPolarHBondContact O-CB 3.41Å; I895-L898 PolarHBondContact O-N 3.22Å; I895-N899 PolarHBondContact O-N 2.91Å; I895-N899 VanDerWaalsContact O-N 3.14Å; I895-N899 PolarHBondContact O-ND2 3.06Å; I895-L938 HydrophobicContact CD1-CD1 4.2Å; I895-Q944 HydrophobicContact CD1-CB 3.76Å; I895-Q944 HydrophobicContact CD1-CG 3.81Å; I895-Q947 HydrophobicContact CG2-CG 4.05Å; I895-V948 HydrophobicContact CD1-CG2 3.99Å; I895-V948 HydrophobicContact CG1-CG2 3.61Å |
| 896 | Q | 95.3 | Very high | 93.4 | Very high | 86 Ų | 86 | 23.8 Ų | 23.8 | 40% | 0.402 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -57.6 | -48 | 177 | -73.1 | 161.9 | 15 | 0 | 0 | 111.3 | L854 D892 F893 L898 N899 E900 | L854-Q896 HydrophobicContact CD1-CB 4.05Å; L854-Q896 HydrophobicContact CD2-CB 4.22Å; D892-Q896 WeakPolarHBondContact O-CG 3.48Å; D892-Q896 PolarHBondContact O-N 3.33Å; F893-Q896 PolarHBondContact O-N 3.41Å; Q896-L898 VanDerWaalsContact C-N 3.35Å; Q896-L898 PolarHBondContact O-N 2.95Å; Q896-N899 PolarHBondContact O-N 3.44Å; Q896-E900 WeakPolarHBondContact O-CG 3.45Å; Q896-E900 PolarHBondContact O-N 3.42Å |
| 897 | L | 95.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.2 | -42.5 | 175.1 | -68.3 | 171.7 | 0 | 0 | 0 | 112.7 | L854 I857 V874 F878 F893 I895 N899 E900 L901 I927 | L854-L897 HydrophobicContact CD1-CD2 4.17Å; I857-L897 HydrophobicContact CD1-CD2 3.44Å; I857-L897 VanDerWaalsContact CD1-CD2 3.44Å; V874-L897 HydrophobicContact CG1-CD1 3.72Å; F878-L897 HydrophobicContact CE1-CD1 3.76Å; F878-L897 HydrophobicContact CZ-CD1 3.71Å; F893-L897 HydrophobicContact CD1-CD1 4.25Å; F893-L897 HydrophobicContact CD2-CD1 4.22Å; F893-L897 HydrophobicContact CD2-CG 4.1Å; F893-L897 HydrophobicContact CE1-CD1 3.9Å; F893-L897 HydrophobicContact CE2-CD1 3.87Å; F893-L897 HydrophobicContact CE2-CD2 3.93Å; F893-L897 HydrophobicContact CE2-CG 3.83Å; F893-L897 HydrophobicContact CG-CD1 4.4Å; F893-L897 HydrophobicContact CZ-CD1 3.71Å; F893-L897 HydrophobicContact CZ-CD2 4.25Å; F893-L897 HydrophobicContact CZ-CG 4.17Å; F893-L897 WeakPolarHBondContact O-CG 3.3Å; F893-L897 PolarHBondContact O-N 2.99Å; I895-L897 PolarHBondContact O-N 3.25Å; L897-N899 VanDerWaalsContact C-N 3.35Å; L897-N899 PolarHBondContact O-N 3.04Å; L897-E900 PolarHBondContact O-N 3.21Å; L897-L901 WeakPolarHBondContact O-CG 3.44Å; L897-L901 PolarHBondContact O-N 2.91Å; L897-I927 HydrophobicContact CB-CD1 3.73Å |
| 898 | L | 95.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.6 | -40.6 | -179.5 | 177.6 | 58.7 | 0 | 0 | 0 | 112.7 | A894 I895 Q896 L901 I927 V948 L952 V955 | A894-L898 WeakPolarHBondContact O-CB 3.27Å; A894-L898 PolarHBondContact O-N 3.42Å; I895-L898 WeakPolarHBondContact O-CB 3.41Å; I895-L898 PolarHBondContact O-N 3.22Å; Q896-L898 VanDerWaalsContact C-N 3.35Å; Q896-L898 PolarHBondContact O-N 2.95Å; L898-L901 HydrophobicContact CD1-CD1 4.17Å; L898-L901 PolarHBondContact O-N 3.2Å; L898-I927 HydrophobicContact CB-CD1 4.48Å; L898-I927 HydrophobicContact CB-CG2 4.27Å; L898-V948 HydrophobicContact CD2-CB 4.41Å; L898-V948 HydrophobicContact CD2-CG1 4.3Å; L898-V948 HydrophobicContact CD2-CG2 4.46Å; L898-L952 HydrophobicContact CD1-CD2 3.77Å; L898-L952 HydrophobicContact CD1-CG 4.34Å; L898-L952 HydrophobicContact CD2-CD2 4.13Å; L898-L952 HydrophobicContact CD2-CG 4.01Å; L898-V955 HydrophobicContact CD1-CG2 4.43Å |
| 899 | N | 92.1 | Very high | 93 | Very high | 54 Ų | 54 | 29.8 Ų | 29.8 | 29% | 0.289 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61 | -46.3 | 177.6 | -61.1 | -50.6 | 0 | 0 | 0 | 111.1 | I895 Q896 L897 L901 S902 Q947 | I895-N899 PolarHBondContact O-N 2.91Å; I895-N899 VanDerWaalsContact O-N 3.14Å; I895-N899 PolarHBondContact O-ND2 3.06Å; Q896-N899 PolarHBondContact O-N 3.44Å; L897-N899 VanDerWaalsContact C-N 3.35Å; L897-N899 PolarHBondContact O-N 3.04Å; N899-L901 VanDerWaalsContact C-N 3.31Å; N899-L901 PolarHBondContact O-N 2.8Å; N899-S902 PolarHBondContact O-OG 3.49Å; N899-Q947 PolarHBondContact ND2-NE2 3.23Å; N899-Q947 PolarHBondContact OD1-NE2 2.88Å; N899-Q947 VanDerWaalsContact OD1-NE2 3.15Å |
| 900 | E | 92.4 | Very high | 92.9 | Very high | 47 Ų | 47 | 35 Ų | 35 | 22% | 0.22 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.4 | -29.2 | -177.8 | -60.9 | -70 | 110.5 | 0 | 0 | 112.9 | L854 I857 T858 Q896 L897 S902 V903 V904 | L854-E900 HydrophobicContact CD1-CG 4.45Å; I857-E900 HydrophobicContact CG2-CB 3.99Å; I857-E900 HydrophobicContact CG2-CG 4.49Å; T858-E900 VanDerWaalsContact CA-OE2 3.28Å; T858-E900 WeakPolarHBondContact CA-OE2 3.34Å; T858-E900 VanDerWaalsContact CB-OE2 3.3Å; T858-E900 WeakPolarHBondContact CB-OE2 3.46Å; T858-E900 WeakPolarHBondContact CG2-OE2 3.49Å; T858-E900 VanDerWaalsContact OG1-CD 3.3Å; T858-E900 PolarHBondContact OG1-OE2 3.01Å; Q896-E900 WeakPolarHBondContact O-CG 3.45Å; Q896-E900 PolarHBondContact O-N 3.42Å; L897-E900 PolarHBondContact O-N 3.21Å; E900-S902 PolarHBondContact O-N 3.48Å; E900-S902 VanDerWaalsContact O-N 3.11Å; E900-V903 PolarHBondContact O-N 3.19Å; E900-V904 WeakPolarHBondContact O-CG2 3.42Å; E900-V904 PolarHBondContact O-N 3.45Å |
| 901 | L | 91.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -52.5 | -38 | -177.8 | -67.2 | -170.1 | 0 | 0 | 0 | 113.2 | L897 L898 N899 V903 V904 E905 L923 C924 I927 V955 | L897-L901 WeakPolarHBondContact O-CG 3.44Å; L897-L901 PolarHBondContact O-N 2.91Å; L898-L901 HydrophobicContact CD1-CD1 4.17Å; L898-L901 PolarHBondContact O-N 3.2Å; N899-L901 VanDerWaalsContact C-N 3.31Å; N899-L901 PolarHBondContact O-N 2.8Å; L901-V903 VanDerWaalsContact C-N 3.28Å; L901-V903 PolarHBondContact O-N 2.79Å; L901-V904 PolarHBondContact O-N 3.27Å; L901-E905 WeakPolarHBondContact O-CB 3.33Å; L901-E905 PolarHBondContact O-N 2.96Å; L901-L923 HydrophobicContact CD2-CB 4.32Å; L901-L923 HydrophobicContact CD2-CD2 3.74Å; L901-L923 HydrophobicContact CD2-CG 4.02Å; L901-C924 HydrophobicContact CD1-CB 3.64Å; L901-I927 HydrophobicContact CD1-CD1 4.18Å; L901-V955 HydrophobicContact CB-CG2 4.43Å; L901-V955 HydrophobicContact CD1-CG2 4.26Å |
| 902 | S | 87.5 | Confident | 92.2 | Very high | 69 Ų | 69 | 43.1 Ų | 43.1 | 48% | 0.483 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.1 | -33.1 | -179.6 | 66.2 | 0 | 0 | 0 | 0 | 113 | N899 E900 | N899-S902 PolarHBondContact O-OG 3.49Å; E900-S902 PolarHBondContact O-N 3.48Å; E900-S902 VanDerWaalsContact O-N 3.11Å |
| 903 | V | 91 | Very high | 91.8 | Very high | 67 Ų | 67 | 43.6 Ų | 43.6 | 41% | 0.406 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -84.4 | -41.4 | 178.2 | -171.2 | 0 | 0 | 0 | 0 | 110.4 | A861 E900 L901 E905 A906 E907 | A861-V903 HydrophobicContact CB-CB 4.12Å; A861-V903 HydrophobicContact CB-CG1 3.88Å; A861-V903 WeakPolarHBondContact O-CG1 3.36Å; E900-V903 PolarHBondContact O-N 3.19Å; L901-V903 VanDerWaalsContact C-N 3.28Å; L901-V903 PolarHBondContact O-N 2.79Å; V903-E905 VanDerWaalsContact C-N 3.29Å; V903-E905 PolarHBondContact O-N 3.24Å; V903-A906 PolarHBondContact O-N 3.43Å; V903-A906 VanDerWaalsContact O-N 3.12Å; V903-E907 PolarHBondContact O-N 3.02Å |
| 904 | V | 91.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.5 | -41.8 | 174 | 174 | 0 | 0 | 0 | 0 | 111.2 | I857 F860 A861 L868 E900 L901 E907 L908 Y919 T920 | I857-V904 HydrophobicContact CG2-CG2 3.92Å; F860-V904 HydrophobicContact CD1-CG1 4.16Å; F860-V904 HydrophobicContact CD1-CG2 4.5Å; F860-V904 HydrophobicContact CE1-CG1 4.22Å; A861-V904 HydrophobicContact CB-CG2 4.03Å; L868-V904 HydrophobicContact CD1-CG1 4.07Å; L868-V904 HydrophobicContact CD2-CG1 4.05Å; E900-V904 WeakPolarHBondContact O-CG2 3.42Å; E900-V904 PolarHBondContact O-N 3.45Å; L901-V904 PolarHBondContact O-N 3.27Å; V904-E907 PolarHBondContact O-N 3.27Å; V904-L908 HydrophobicContact CG1-CD1 3.96Å; V904-L908 HydrophobicContact CG1-CG 4.33Å; V904-L908 WeakPolarHBondContact O-CB 3.31Å; V904-L908 VanDerWaalsContact O-CG 3.29Å; V904-L908 WeakPolarHBondContact O-CG 3.31Å; V904-L908 PolarHBondContact O-N 2.9Å; V904-Y919 HydrophobicContact CG1-CD1 4.38Å; V904-Y919 HydrophobicContact CG1-CE1 4.32Å; V904-T920 HydrophobicContact CB-CG2 4.44Å; V904-T920 HydrophobicContact CG1-CG2 4.04Å |
| 905 | E | 89.3 | Confident | 90.5 | Very high | 28 Ų | 28 | 55 Ų | 55 | 13% | 0.131 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 175.5 | -175.3 | 62.7 | -169.5 | 0 | 0 | 112.2 | L901 V903 L909 G917 T920 | L901-E905 WeakPolarHBondContact O-CB 3.33Å; L901-E905 PolarHBondContact O-N 2.96Å; V903-E905 VanDerWaalsContact C-N 3.29Å; V903-E905 PolarHBondContact O-N 3.24Å; E905-L909 WeakPolarHBondContact O-CB 3.28Å; E905-L909 PolarHBondContact O-N 3.28Å; E905-G917 PolarHBondContact OE1-N 3.23Å; E905-G917 PolarHBondContact OE2-N 3.41Å; E905-T920 HydrophobicContact CB-CG2 4.05Å; E905-T920 WeakPolarHBondContact OE2-CB 3.28Å; E905-T920 VanDerWaalsContact OE2-CG2 3.27Å; E905-T920 WeakPolarHBondContact OE2-CG2 3.49Å; E905-T920 PolarHBondContact OE2-OG1 3.09Å |
| 906 | A | 90 | Very high | 89.9 | Confident | 55 Ų | 55 | 57 Ų | 57 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67 | -38.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | V903 L909 L910 | V903-A906 PolarHBondContact O-N 3.43Å; V903-A906 VanDerWaalsContact O-N 3.12Å; A906-L909 PolarHBondContact O-N 3.16Å; A906-L910 WeakPolarHBondContact O-CB 3.48Å; A906-L910 PolarHBondContact O-N 3.22Å |
| 907 | E | 92.2 | Very high | 89.1 | Confident | 32 Ų | 32 | 54.4 Ų | 54.4 | 15% | 0.15 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -74.6 | -36.5 | 178.6 | -173.3 | 63.1 | -168.9 | 0 | 0 | 112.2 | F860 V903 V904 L909 L910 K911 | F860-E907 HydrophobicContact CD1-CG 4.39Å; F860-E907 HydrophobicContact CE1-CB 4.11Å; F860-E907 HydrophobicContact CE1-CG 3.94Å; F860-E907 HydrophobicContact CZ-CG 4.41Å; V903-E907 PolarHBondContact O-N 3.02Å; V904-E907 PolarHBondContact O-N 3.27Å; E907-L909 VanDerWaalsContact C-N 3.31Å; E907-L909 PolarHBondContact O-N 2.98Å; E907-L910 PolarHBondContact O-N 3.05Å; E907-L910 WeakPolarHBondContact OE2-CD2 3.27Å; E907-K911 WeakPolarHBondContact O-CB 3.43Å; E907-K911 WeakPolarHBondContact O-CG 3.49Å; E907-K911 PolarHBondContact O-N 3.37Å; E907-K911 WeakPolarHBondContact OE1-CE 3.31Å; E907-K911 IonicContact OE1-NZ 3.23Å; E907-K911 PolarHBondContact OE1-NZ 2.84Å |
| 908 | L | 90.4 | Very high | 88.4 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.5 | -41.2 | 170 | -78.3 | 172 | 0 | 0 | 0 | 111.7 | F860 L868 V904 K911 S912 S913 L915 V916 Y919 T920 | F860-L908 HydrophobicContact CE1-CD2 4.09Å; F860-L908 HydrophobicContact CE1-CG 3.98Å; F860-L908 HydrophobicContact CZ-CD2 3.73Å; F860-L908 HydrophobicContact CZ-CG 4.12Å; L868-L908 HydrophobicContact CD1-CD1 4.27Å; L868-L908 HydrophobicContact CD1-CD2 4.03Å; L868-L908 HydrophobicContact CD1-CG 4.38Å; V904-L908 HydrophobicContact CG1-CD1 3.96Å; V904-L908 HydrophobicContact CG1-CG 4.33Å; V904-L908 WeakPolarHBondContact O-CB 3.31Å; V904-L908 VanDerWaalsContact O-CG 3.29Å; V904-L908 WeakPolarHBondContact O-CG 3.31Å; V904-L908 PolarHBondContact O-N 2.9Å; L908-K911 CarbonylContact O-C 3.6Å; L908-K911 PolarHBondContact O-N 3.14Å; L908-S912 PolarHBondContact O-N 2.99Å; L908-S912 VanDerWaalsContact O-N 3.09Å; L908-S913 PolarHBondContact O-N 3.46Å; L908-S913 VanDerWaalsContact O-N 3.1Å; L908-L915 HydrophobicContact CD1-CB 4.36Å; L908-L915 HydrophobicContact CD2-CB 4.03Å; L908-V916 VanDerWaalsContact C-CG2 3.43Å; L908-V916 HydrophobicContact CB-CG2 3.78Å; L908-V916 WeakPolarHBondContact O-CG2 3.34Å; L908-Y919 HydrophobicContact CD1-CD1 4.37Å; L908-T920 HydrophobicContact CD1-CG2 4.17Å |
| 909 | L | 88.9 | Confident | 88.1 | Confident | 111 Ų | 111 | 57.8 Ų | 57.8 | 58% | 0.581 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66.4 | -42.8 | 175.7 | -172.9 | 70.3 | 0 | 0 | 0 | 111.4 | E905 A906 E907 K911 S912 V916 | E905-L909 WeakPolarHBondContact O-CB 3.28Å; E905-L909 PolarHBondContact O-N 3.28Å; A906-L909 PolarHBondContact O-N 3.16Å; E907-L909 VanDerWaalsContact C-N 3.31Å; E907-L909 PolarHBondContact O-N 2.98Å; L909-K911 VanDerWaalsContact C-N 3.33Å; L909-K911 PolarHBondContact O-N 3.25Å; L909-S912 PolarHBondContact O-N 3.38Å; L909-S912 VanDerWaalsContact O-N 3.09Å; L909-V916 HydrophobicContact CB-CG2 4.27Å; L909-V916 HydrophobicContact CD1-CG1 4.14Å; L909-V916 HydrophobicContact CD1-CG2 4.42Å |
| 910 | L | 91.4 | Very high | 88 | Confident | 134 Ų | 134 | 55.4 Ų | 55.4 | 70% | 0.702 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.4 | -38.6 | 175.6 | -174.5 | 63.4 | 0 | 0 | 0 | 112.1 | A906 E907 S912 | A906-L910 WeakPolarHBondContact O-CB 3.48Å; A906-L910 PolarHBondContact O-N 3.22Å; E907-L910 PolarHBondContact O-N 3.05Å; E907-L910 WeakPolarHBondContact OE2-CD2 3.27Å; L910-S912 VanDerWaalsContact C-N 3.27Å; L910-S912 PolarHBondContact O-N 3.34Å |
| 911 | K | 89.8 | Confident | 87.8 | Confident | 66 Ų | 66 | 54.1 Ų | 54.1 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -2.4 | 174.5 | -64.8 | -170.8 | -157.8 | -54.4 | 0 | 114.1 | F860 Y866 E907 L908 L909 S913 | F860-K911 HydrophobicContact CE2-CD 4.33Å; F860-K911 HydrophobicContact CZ-CD 4.16Å; Y866-K911 HydrophobicContact CD1-CD 4.33Å; Y866-K911 HydrophobicContact CE1-CD 4.44Å; E907-K911 WeakPolarHBondContact O-CB 3.43Å; E907-K911 WeakPolarHBondContact O-CG 3.49Å; E907-K911 PolarHBondContact O-N 3.37Å; E907-K911 WeakPolarHBondContact OE1-CE 3.31Å; E907-K911 IonicContact OE1-NZ 3.23Å; E907-K911 PolarHBondContact OE1-NZ 2.84Å; L908-K911 CarbonylContact O-C 3.6Å; L908-K911 PolarHBondContact O-N 3.14Å; L909-K911 VanDerWaalsContact C-N 3.33Å; L909-K911 PolarHBondContact O-N 3.25Å; K911-S913 PolarHBondContact O-N 2.91Å |
| 912 | S | 87 | Confident | 87.7 | Confident | 106 Ų | 106 | 56.8 Ų | 56.8 | 74% | 0.741 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 45.3 | -178.4 | -56.6 | 0 | 0 | 0 | 0 | 113.9 | L908 L909 L910 | L908-S912 PolarHBondContact O-N 2.99Å; L908-S912 VanDerWaalsContact O-N 3.09Å; L909-S912 PolarHBondContact O-N 3.38Å; L909-S912 VanDerWaalsContact O-N 3.09Å; L910-S912 VanDerWaalsContact C-N 3.27Å; L910-S912 PolarHBondContact O-N 3.34Å |
| 913 | S | 86.1 | Confident | 87.9 | Confident | 41 Ų | 41 | 53.5 Ų | 53.5 | 29% | 0.287 | 32% | 0.318 | S | S | . | . | trans | -87.6 | 142.8 | -177.6 | -176.6 | 0 | 0 | 0 | 0 | 113.2 | L908 K911 L915 V916 | L908-S913 PolarHBondContact O-N 3.46Å; L908-S913 VanDerWaalsContact O-N 3.1Å; K911-S913 PolarHBondContact O-N 2.91Å; S913-L915 PolarHBondContact O-N 2.94Å; S913-L915 PolarHBondContact OG-N 2.7Å; S913-V916 WeakPolarHBondContact O-CB 3.27Å; S913-V916 WeakPolarHBondContact O-CG2 3.35Å; S913-V916 PolarHBondContact O-N 2.93Å; S913-V916 VanDerWaalsContact O-N 3.12Å | ||
| 914 | D | 82.5 | Confident | 88.1 | Confident | 162 Ų | 162 | 50.3 Ų | 50.3 | 87% | 0.866 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -8.9 | 170.6 | -55.6 | -62.6 | 0 | 0 | 0 | 113.8 | V916 S918 | D914-V916 VanDerWaalsContact C-N 3.32Å; D914-S918 PolarHBondContact O-OG 3.44Å |
| 915 | L | 83.6 | Confident | 88.1 | Confident | 81 Ų | 81 | 50.7 Ų | 50.7 | 42% | 0.424 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -6.8 | 174.1 | -62.1 | 179.4 | 0 | 0 | 0 | 114 | L908 S913 G917 S918 Y919 | L908-L915 HydrophobicContact CD1-CB 4.36Å; L908-L915 HydrophobicContact CD2-CB 4.03Å; S913-L915 PolarHBondContact O-N 2.94Å; S913-L915 PolarHBondContact OG-N 2.7Å; L915-G917 PolarHBondContact O-N 2.67Å; L915-S918 WeakPolarHBondContact CA-OG 3.09Å; L915-S918 PolarHBondContact O-N 2.91Å; L915-S918 PolarHBondContact O-OG 3.41Å; L915-Y919 WeakPolarHBondContact O-CB 3.49Å; L915-Y919 PolarHBondContact O-N 2.97Å |
| 916 | V | 82.7 | Confident | 88.4 | Confident | 48 Ų | 48 | 49.7 Ų | 49.7 | 29% | 0.291 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 130.6 | 175.4 | 166.7 | 0 | 0 | 0 | 0 | 110.5 | L908 L909 S913 D914 S918 | L908-V916 VanDerWaalsContact C-CG2 3.43Å; L908-V916 HydrophobicContact CB-CG2 3.78Å; L908-V916 WeakPolarHBondContact O-CG2 3.34Å; L909-V916 HydrophobicContact CB-CG2 4.27Å; L909-V916 HydrophobicContact CD1-CG1 4.14Å; L909-V916 HydrophobicContact CD1-CG2 4.42Å; S913-V916 WeakPolarHBondContact O-CB 3.27Å; S913-V916 WeakPolarHBondContact O-CG2 3.35Å; S913-V916 PolarHBondContact O-N 2.93Å; S913-V916 VanDerWaalsContact O-N 3.12Å; D914-V916 VanDerWaalsContact C-N 3.32Å; V916-S918 PolarHBondContact O-N 3.21Å |
| 917 | G | 79.4 | Confident | 88.7 | Confident | 32 Ų | 32 | 47.1 Ų | 47.1 | 33% | 0.33 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | -23.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | E905 L915 T921 | E905-G917 PolarHBondContact OE1-N 3.23Å; E905-G917 PolarHBondContact OE2-N 3.41Å; L915-G917 PolarHBondContact O-N 2.67Å; G917-T921 WeakPolarHBondContact O-CB 3.29Å; G917-T921 PolarHBondContact O-OG1 3.18Å |
| 918 | S | 81.7 | Confident | 88.8 | Confident | 55 Ų | 55 | 45.6 Ų | 45.6 | 39% | 0.385 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -88.6 | -48.3 | -178.7 | 60.7 | 0 | 0 | 0 | 0 | 112.4 | D914 L915 V916 S922 | D914-S918 PolarHBondContact O-OG 3.44Å; L915-S918 WeakPolarHBondContact CA-OG 3.09Å; L915-S918 PolarHBondContact O-N 2.91Å; L915-S918 PolarHBondContact O-OG 3.41Å; V916-S918 PolarHBondContact O-N 3.21Å; S918-S922 VanDerWaalsContact O-CB 3.29Å; S918-S922 WeakPolarHBondContact O-CB 3.36Å; S918-S922 PolarHBondContact O-N 2.94Å; S918-S922 VanDerWaalsContact O-N 3.1Å; S918-S922 PolarHBondContact O-OG 2.78Å |
| 919 | Y | 89.2 | Confident | 89 | Confident | 20 Ų | 20 | 45.4 Ų | 45.4 | 8% | 0.078 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.4 | -50.3 | -179.7 | 175 | -93.6 | 0 | 0 | 0 | 112.2 | L868 P869 V871 V904 L908 L915 S922 L923 | L868-Y919 HydrophobicContact CB-CE1 4.47Å; L868-Y919 HydrophobicContact CB-CE2 4.27Å; L868-Y919 HydrophobicContact CD1-CD1 3.96Å; L868-Y919 HydrophobicContact CD1-CE1 3.81Å; L868-Y919 HydrophobicContact CD1-CG 4.41Å; L868-Y919 HydrophobicContact CD2-CE1 4.11Å; L868-Y919 HydrophobicContact CG-CE1 4.36Å; P869-Y919 VanDerWaalsContact O-CE2 3.28Å; P869-Y919 WeakPolarHBondContact O-CE2 3.29Å; P869-Y919 PolarHBondContact O-OH 3.08Å; V871-Y919 HydrophobicContact CG2-CD2 3.92Å; V871-Y919 HydrophobicContact CG2-CE2 3.8Å; V904-Y919 HydrophobicContact CG1-CD1 4.38Å; V904-Y919 HydrophobicContact CG1-CE1 4.32Å; L908-Y919 HydrophobicContact CD1-CD1 4.37Å; L915-Y919 WeakPolarHBondContact O-CB 3.49Å; L915-Y919 PolarHBondContact O-N 2.97Å; Y919-S922 PolarHBondContact O-N 2.85Å; Y919-L923 HydrophobicContact CE1-CD2 4.02Å; Y919-L923 WeakPolarHBondContact O-CB 3.47Å; Y919-L923 PolarHBondContact O-N 3.47Å |
| 920 | T | 89.6 | Confident | 89.2 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.9 | -42.1 | -175.6 | 48.8 | 0 | 0 | 0 | 0 | 111.7 | V904 E905 L908 L923 C924 | V904-T920 HydrophobicContact CB-CG2 4.44Å; V904-T920 HydrophobicContact CG1-CG2 4.04Å; E905-T920 HydrophobicContact CB-CG2 4.05Å; E905-T920 WeakPolarHBondContact OE2-CB 3.28Å; E905-T920 VanDerWaalsContact OE2-CG2 3.27Å; E905-T920 WeakPolarHBondContact OE2-CG2 3.49Å; E905-T920 PolarHBondContact OE2-OG1 3.09Å; L908-T920 HydrophobicContact CD1-CG2 4.17Å; T920-L923 PolarHBondContact O-N 2.91Å; T920-C924 WeakPolarHBondContact O-CB 3.18Å; T920-C924 PolarHBondContact O-N 3.18Å |
| 921 | T | 87.9 | Confident | 89.4 | Confident | 20 Ų | 20 | 33.8 Ų | 33.8 | 12% | 0.123 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.4 | -39.4 | 174.9 | -57 | 0 | 0 | 0 | 0 | 112.1 | G917 C924 L925 A968 E969 I972 | G917-T921 WeakPolarHBondContact O-CB 3.29Å; G917-T921 PolarHBondContact O-OG1 3.18Å; T921-C924 PolarHBondContact O-N 3.37Å; T921-L925 PolarHBondContact O-N 2.91Å; T921-A968 HydrophobicContact CG2-CB 3.58Å; T921-E969 HydrophobicContact CG2-CG 4.07Å; T921-I972 HydrophobicContact CG2-CD1 4.3Å |
| 922 | S | 88.8 | Confident | 89.6 | Confident | 57 Ų | 57 | 31 Ų | 31 | 40% | 0.399 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 175.6 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | S918 Y919 L925 C926 | S918-S922 VanDerWaalsContact O-CB 3.29Å; S918-S922 WeakPolarHBondContact O-CB 3.36Å; S918-S922 PolarHBondContact O-N 2.94Å; S918-S922 VanDerWaalsContact O-N 3.1Å; S918-S922 PolarHBondContact O-OG 2.78Å; Y919-S922 PolarHBondContact O-N 2.85Å; S922-L925 WeakPolarHBondContact O-CB 3.23Å; S922-L925 PolarHBondContact O-N 3.43Å; S922-C926 PolarHBondContact O-N 3.5Å |
| 923 | L | 93 | Very high | 89.8 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.8 | -37.3 | 175.7 | -178.7 | 53.3 | 0 | 0 | 0 | 111.9 | I857 V871 V874 L901 Y919 T920 L925 C926 I927 | I857-L923 HydrophobicContact CD1-CD2 4.36Å; V871-L923 HydrophobicContact CG2-CB 4.38Å; V874-L923 HydrophobicContact CB-CD1 4.02Å; V874-L923 HydrophobicContact CG1-CD1 3.92Å; V874-L923 HydrophobicContact CG2-CD1 4.16Å; L901-L923 HydrophobicContact CD2-CB 4.32Å; L901-L923 HydrophobicContact CD2-CD2 3.74Å; L901-L923 HydrophobicContact CD2-CG 4.02Å; Y919-L923 HydrophobicContact CE1-CD2 4.02Å; Y919-L923 WeakPolarHBondContact O-CB 3.47Å; Y919-L923 PolarHBondContact O-N 3.47Å; T920-L923 PolarHBondContact O-N 2.91Å; L923-L925 VanDerWaalsContact C-N 3.29Å; L923-L925 PolarHBondContact O-N 2.95Å; L923-C926 PolarHBondContact O-N 3.32Å; L923-I927 HydrophobicContact CD1-CD1 4.47Å; L923-I927 HydrophobicContact CG-CD1 4.2Å; L923-I927 WeakPolarHBondContact O-CG1 3.43Å; L923-I927 PolarHBondContact O-N 3.33Å |
| 924 | C | 94 | Very high | 90.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.6 | -37.9 | 172.4 | -166.8 | 0 | 0 | 0 | 0 | 111.6 | L901 T920 T921 I927 V928 L952 V955 I972 | L901-C924 HydrophobicContact CD1-CB 3.64Å; T920-C924 WeakPolarHBondContact O-CB 3.18Å; T920-C924 PolarHBondContact O-N 3.18Å; T921-C924 PolarHBondContact O-N 3.37Å; C924-I927 PolarHBondContact O-N 3.47Å; C924-V928 WeakPolarHBondContact O-CB 3.33Å; C924-V928 WeakPolarHBondContact O-CG2 3.42Å; C924-V928 PolarHBondContact O-N 2.92Å; C924-L952 VanDerWaalsContact SG-CD2 3.6Å; C924-V955 HydrophobicContact CB-CG1 4.46Å; C924-I972 HydrophobicContact CB-CD1 3.92Å |
| 925 | L | 92.6 | Very high | 90.6 | Very high | 7 Ų | 7 | 19.1 Ų | 19.1 | 4% | 0.037 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.5 | -45.9 | 174.3 | -175.9 | 61.6 | 0 | 0 | 0 | 112.1 | T921 S922 L923 I927 V928 A929 A968 C971 L1208 | T921-L925 PolarHBondContact O-N 2.91Å; S922-L925 WeakPolarHBondContact O-CB 3.23Å; S922-L925 PolarHBondContact O-N 3.43Å; L923-L925 VanDerWaalsContact C-N 3.29Å; L923-L925 PolarHBondContact O-N 2.95Å; L925-I927 VanDerWaalsContact C-N 3.31Å; L925-I927 PolarHBondContact O-N 3.43Å; L925-V928 PolarHBondContact O-N 3.31Å; L925-A929 VanDerWaalsContact O-CB 3.31Å; L925-A929 WeakPolarHBondContact O-CB 3.44Å; L925-A929 PolarHBondContact O-N 2.79Å; L925-A968 HydrophobicContact CB-CB 4.06Å; L925-A968 HydrophobicContact CD1-CB 4.42Å; L925-A968 HydrophobicContact CD2-CB 3.92Å; L925-A968 HydrophobicContact CG-CB 4.35Å; L925-C971 HydrophobicContact CD1-CB 3.33Å; L925-L1208 HydrophobicContact CD1-CD1 3.92Å; L925-L1208 HydrophobicContact CG-CD1 4.39Å |
| 926 | C | 94.8 | Very high | 91 | Very high | 8 Ų | 8 | 16.2 Ų | 16.2 | 5% | 0.054 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.3 | -39.5 | 175.8 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | F878 S922 L923 A929 V930 | F878-C926 HydrophobicContact CE2-CB 4.05Å; S922-C926 PolarHBondContact O-N 3.5Å; L923-C926 PolarHBondContact O-N 3.32Å; C926-A929 PolarHBondContact O-N 2.67Å; C926-V930 PolarHBondContact O-N 3.44Å |
| 927 | I | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.4 | -48.3 | 174.8 | -72.3 | 163.8 | 0 | 0 | 0 | 111 | F878 A894 L897 L898 L901 L923 C924 L925 A929 V930 L931 | F878-I927 HydrophobicContact CE2-CG1 4.35Å; F878-I927 HydrophobicContact CZ-CG1 4.01Å; A894-I927 HydrophobicContact CB-CG2 4.36Å; L897-I927 HydrophobicContact CB-CD1 3.73Å; L898-I927 HydrophobicContact CB-CD1 4.48Å; L898-I927 HydrophobicContact CB-CG2 4.27Å; L901-I927 HydrophobicContact CD1-CD1 4.18Å; L923-I927 HydrophobicContact CD1-CD1 4.47Å; L923-I927 HydrophobicContact CG-CD1 4.2Å; L923-I927 WeakPolarHBondContact O-CG1 3.43Å; L923-I927 PolarHBondContact O-N 3.33Å; C924-I927 PolarHBondContact O-N 3.47Å; L925-I927 VanDerWaalsContact C-N 3.31Å; L925-I927 PolarHBondContact O-N 3.43Å; I927-A929 VanDerWaalsContact C-N 3.3Å; I927-A929 PolarHBondContact O-N 2.85Å; I927-V930 PolarHBondContact O-N 3.3Å; I927-L931 HydrophobicContact CG2-CD1 3.63Å; I927-L931 HydrophobicContact CG2-CG 4.3Å; I927-L931 WeakPolarHBondContact O-CB 3.48Å; I927-L931 VanDerWaalsContact O-CG 3.3Å; I927-L931 WeakPolarHBondContact O-CG 3.5Å; I927-L931 PolarHBondContact O-N 3.43Å |
| 928 | V | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.4 | -39.1 | 177.6 | 163.6 | 0 | 0 | 0 | 0 | 111.5 | C924 L925 R932 L952 I972 Y975 | C924-V928 WeakPolarHBondContact O-CB 3.33Å; C924-V928 WeakPolarHBondContact O-CG2 3.42Å; C924-V928 PolarHBondContact O-N 2.92Å; L925-V928 PolarHBondContact O-N 3.31Å; V928-R932 WeakPolarHBondContact O-CB 3.42Å; V928-R932 PolarHBondContact O-N 2.95Å; V928-L952 HydrophobicContact CG2-CD1 4.14Å; V928-L952 HydrophobicContact CG2-CD2 3.44Å; V928-L952 VanDerWaalsContact CG2-CD2 3.44Å; V928-L952 HydrophobicContact CG2-CG 4.46Å; V928-I972 HydrophobicContact CG2-CB 4.46Å; V928-I972 HydrophobicContact CG2-CG1 3.94Å; V928-Y975 HydrophobicContact CB-CD1 4.35Å; V928-Y975 HydrophobicContact CG1-CD1 3.85Å; V928-Y975 HydrophobicContact CG1-CG 4.02Å; V928-Y975 HydrophobicContact CG2-CD1 4.11Å |
| 929 | A | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -58.4 | -53.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L925 C926 I927 R932 H933 C1204 H1207 L1208 | L925-A929 VanDerWaalsContact O-CB 3.31Å; L925-A929 WeakPolarHBondContact O-CB 3.44Å; L925-A929 PolarHBondContact O-N 2.79Å; C926-A929 PolarHBondContact O-N 2.67Å; I927-A929 VanDerWaalsContact C-N 3.3Å; I927-A929 PolarHBondContact O-N 2.85Å; A929-R932 PolarHBondContact O-N 3.46Å; A929-H933 WeakPolarHBondContact O-CB 3.47Å; A929-H933 PolarHBondContact O-N 3.07Å; A929-C1204 HydrophobicContact CB-CB 4.22Å; A929-C1204 WeakPolarHBondContact CB-O 3.23Å; A929-C1204 VanDerWaalsContact CB-SG 3.57Å; A929-H1207 HydrophobicContact CB-CB 3.94Å; A929-L1208 HydrophobicContact CB-CD1 4.34Å; A929-L1208 HydrophobicContact CB-CD2 4.13Å; A929-L1208 HydrophobicContact CB-CG 3.73Å |
| 930 | V | 94 | Very high | 92.7 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.006 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.6 | -51.1 | 176.8 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | F878 L890 C926 I927 R932 H933 Y934 | F878-V930 HydrophobicContact CB-CG2 4.19Å; F878-V930 HydrophobicContact CD2-CG2 3.68Å; F878-V930 HydrophobicContact CE2-CG2 4.24Å; F878-V930 HydrophobicContact CG-CG2 4.08Å; L890-V930 HydrophobicContact CD1-CG1 4Å; L890-V930 HydrophobicContact CD2-CG1 3.82Å; L890-V930 HydrophobicContact CG-CG1 3.69Å; C926-V930 PolarHBondContact O-N 3.44Å; I927-V930 PolarHBondContact O-N 3.3Å; V930-R932 VanDerWaalsContact C-N 3.32Å; V930-R932 PolarHBondContact O-N 3.06Å; V930-H933 PolarHBondContact O-N 3.12Å; V930-Y934 HydrophobicContact CG1-CD2 4.3Å; V930-Y934 PolarHBondContact O-N 3.39Å |
| 931 | L | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.7 | -34.8 | -177.7 | -68.2 | 175.8 | 0 | 0 | 0 | 112.5 | I891 A894 I927 Y934 H935 V948 Y975 | I891-L931 HydrophobicContact CG2-CD2 4.15Å; A894-L931 HydrophobicContact CB-CD2 4.15Å; A894-L931 HydrophobicContact CB-CG 4.29Å; I927-L931 HydrophobicContact CG2-CD1 3.63Å; I927-L931 HydrophobicContact CG2-CG 4.3Å; I927-L931 WeakPolarHBondContact O-CB 3.48Å; I927-L931 VanDerWaalsContact O-CG 3.3Å; I927-L931 WeakPolarHBondContact O-CG 3.5Å; I927-L931 PolarHBondContact O-N 3.43Å; L931-Y934 CarbonylContact O-C 3.56Å; L931-Y934 VanDerWaalsContact O-C 3.27Å; L931-Y934 PolarHBondContact O-N 3.16Å; L931-H935 WeakPolarHBondContact O-CA 3.43Å; L931-H935 PolarHBondContact O-N 3.44Å; L931-V948 HydrophobicContact CD1-CG1 3.88Å; L931-V948 HydrophobicContact CD1-CG2 3.88Å; L931-Y975 VanDerWaalsContact C-OH 3.25Å; L931-Y975 HydrophobicContact CB-CE1 3.72Å; L931-Y975 PolarHBondContact O-OH 3.39Å |
| 932 | R | 93.1 | Very high | 92.7 | Very high | 8 Ų | 8 | 14.7 Ų | 14.7 | 3% | 0.03 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -74.7 | -35.6 | 177 | -164.4 | -175 | -177.7 | -128 | 2 | 112.1 | V928 A929 V930 Y934 H935 Y975 D978 Y1006 A1211 S1212 | V928-R932 WeakPolarHBondContact O-CB 3.42Å; V928-R932 PolarHBondContact O-N 2.95Å; A929-R932 PolarHBondContact O-N 3.46Å; V930-R932 VanDerWaalsContact C-N 3.32Å; V930-R932 PolarHBondContact O-N 3.06Å; R932-Y934 VanDerWaalsContact C-N 3.34Å; R932-H935 WeakPolarHBondContact O-CB 3.29Å; R932-H935 PolarHBondContact O-N 2.72Å; R932-Y975 HydrophobicContact CB-CD1 4.49Å; R932-Y975 HydrophobicContact CB-CD2 3.66Å; R932-Y975 HydrophobicContact CB-CE2 3.72Å; R932-Y975 HydrophobicContact CB-CG 4.06Å; R932-Y975 HydrophobicContact CG-CD2 3.45Å; R932-Y975 VanDerWaalsContact CG-CD2 3.45Å; R932-Y975 HydrophobicContact CG-CE2 3.77Å; R932-Y975 HydrophobicContact CG-CG 4.14Å; R932-D978 IonicContact CZ-OD2 2.71Å; R932-D978 IonicContact NE-OD2 3.63Å; R932-D978 PolarHBondContact NE-OD2 3.37Å; R932-D978 IonicContact NH2-OD2 3.89Å; R932-D978 PolarHBondContact NH2-OD2 3.25Å; R932-Y1006 PolarHBondContact NH2-OH 3.26Å; R932-A1211 HydrophobicContact CB-CB 4.03Å; R932-A1211 HydrophobicContact CG-CB 3.6Å; R932-S1212 PolarHBondContact NH1-OG 3.47Å |
| 933 | H | 90.7 | Very high | 92.7 | Very high | 43 Ų | 43 | 17.4 Ų | 17.4 | 20% | 0.199 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 169.5 | -176.8 | 52.6 | 0 | 0 | 0 | 111 | E882 A929 V930 H935 H1207 A1210 | E882-H933 IonicContact OE1-NE2 2.67Å; A929-H933 WeakPolarHBondContact O-CB 3.47Å; A929-H933 PolarHBondContact O-N 3.07Å; V930-H933 PolarHBondContact O-N 3.12Å; H933-H935 VanDerWaalsContact C-N 3.34Å; H933-H935 PolarHBondContact O-N 2.87Å; H933-H1207 HydrophobicContact CB-CB 4.07Å; H933-H1207 AromaticContact CD2-CD2 3.85Å; H933-A1210 WeakPolarHBondContact ND1-CB 3.37Å |
| 934 | Y | 92.5 | Very high | 92.7 | Very high | 10 Ų | 10 | 19.1 Ų | 19.1 | 4% | 0.039 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 25.1 | 178.7 | -75 | -72.2 | 0 | 0 | 0 | 115 | R520 E882 I887 L890 V930 L931 R932 A936 C937 L938 | R520-Y934 HydrophobicContact CB-CE1 4.36Å; R520-Y934 WeakPolarHBondContact CD-OH 3.29Å; R520-Y934 PolarHBondContact NH1-OH 2.82Å; E882-Y934 HydrophobicContact CG-CE2 4.46Å; E882-Y934 WeakPolarHBondContact CG-OH 3.36Å; E882-Y934 PolarHBondContact OE1-OH 3.2Å; I887-Y934 HydrophobicContact CB-CE1 4.4Å; I887-Y934 HydrophobicContact CD1-CE1 3.85Å; I887-Y934 HydrophobicContact CG1-CE1 3.99Å; I887-Y934 HydrophobicContact CG2-CD1 3.53Å; I887-Y934 HydrophobicContact CG2-CE1 3.51Å; I887-Y934 HydrophobicContact CG2-CG 4.14Å; L890-Y934 HydrophobicContact CD2-CE2 4.23Å; V930-Y934 HydrophobicContact CG1-CD2 4.3Å; V930-Y934 PolarHBondContact O-N 3.39Å; L931-Y934 CarbonylContact O-C 3.56Å; L931-Y934 VanDerWaalsContact O-C 3.27Å; L931-Y934 PolarHBondContact O-N 3.16Å; R932-Y934 VanDerWaalsContact C-N 3.34Å; Y934-A936 PolarHBondContact O-N 3.38Å; Y934-C937 HydrophobicContact CD1-CB 4.49Å; Y934-C937 WeakPolarHBondContact O-CA 3.46Å; Y934-C937 WeakPolarHBondContact O-CB 3.36Å; Y934-C937 PolarHBondContact O-N 3.32Å; Y934-L938 PolarHBondContact O-N 3.26Å |
| 935 | H | 93 | Very high | 92.7 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 3% | 0.028 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -55.5 | -38.3 | -178.4 | 175.4 | 91.8 | 0 | 0 | 0 | 112.9 | E470 L931 R932 H933 C937 L938 I939 Y975 S982 R1215 | E470-H935 PolarHBondContact O-NE2 2.89Å; L931-H935 WeakPolarHBondContact O-CA 3.43Å; L931-H935 PolarHBondContact O-N 3.44Å; R932-H935 WeakPolarHBondContact O-CB 3.29Å; R932-H935 PolarHBondContact O-N 2.72Å; H933-H935 VanDerWaalsContact C-N 3.34Å; H933-H935 PolarHBondContact O-N 2.87Å; H935-C937 VanDerWaalsContact C-N 3.26Å; H935-C937 PolarHBondContact O-N 3.29Å; H935-L938 PolarHBondContact O-N 3.07Å; H935-I939 PolarHBondContact O-N 3.27Å; H935-I939 VanDerWaalsContact O-N 3.1Å; H935-Y975 AromaticContact ND1-CE2 3.84Å; H935-S982 PolarHBondContact NE2-OG 3.12Å; H935-R1215 PolarHBondContact CD2-NH2 2.65Å; H935-R1215 PolarHBondContact CE1-NH2 3.25Å; H935-R1215 PolarHBondContact ND1-NH2 2.93Å; H935-R1215 PolarHBondContact NE2-NH2 2.92Å |
| 936 | A | 91.7 | Very high | 92.6 | Very high | 19 Ų | 19 | 18.9 Ų | 18.9 | 16% | 0.157 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -71 | -15.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | F469 H521 Y934 | F469-A936 HydrophobicContact CB-CB 4.48Å; F469-A936 WeakPolarHBondContact O-CA 3.27Å; F469-A936 WeakPolarHBondContact O-CB 3.27Å; H521-A936 HydrophobicContact CB-CB 3.99Å; H521-A936 WeakPolarHBondContact CB-O 3.46Å; Y934-A936 PolarHBondContact O-N 3.38Å |
| 937 | C | 93.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 22.2 Ų | 22.2 | 3% | 0.027 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -87.7 | -47.3 | 170.3 | -64.3 | 0 | 0 | 0 | 0 | 110.8 | H521 M524 I891 Y934 H935 I939 L940 | H521-C937 VanDerWaalsContact CA-SG 3.55Å; M524-C937 HydrophobicContact CE-CB 4.06Å; M524-C937 HydrophobicContact SD-CB 3.57Å; M524-C937 VanDerWaalsContact SD-CB 3.57Å; M524-C937 VanDerWaalsContact SD-SG 3.61Å; I891-C937 HydrophobicContact CD1-CB 3.6Å; Y934-C937 HydrophobicContact CD1-CB 4.49Å; Y934-C937 WeakPolarHBondContact O-CA 3.46Å; Y934-C937 WeakPolarHBondContact O-CB 3.36Å; Y934-C937 PolarHBondContact O-N 3.32Å; H935-C937 VanDerWaalsContact C-N 3.26Å; H935-C937 PolarHBondContact O-N 3.29Å; C937-I939 PolarHBondContact O-N 3.11Å; C937-L940 WeakPolarHBondContact O-CB 3.49Å; C937-L940 WeakPolarHBondContact O-CG 3.35Å; C937-L940 PolarHBondContact O-N 3.31Å; C937-L940 VanDerWaalsContact O-N 3.15Å |
| 938 | L | 93.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.6 | -35.1 | -179.9 | -178.9 | 65.3 | 0 | 0 | 0 | 112.4 | I891 I895 Y934 H935 L940 N941 Q944 M945 V948 Y975 L979 | I891-L938 HydrophobicContact CG2-CD1 4.04Å; I895-L938 HydrophobicContact CD1-CD1 4.2Å; Y934-L938 PolarHBondContact O-N 3.26Å; H935-L938 PolarHBondContact O-N 3.07Å; L938-L940 PolarHBondContact O-N 3.45Å; L938-L940 VanDerWaalsContact O-N 3.13Å; L938-N941 PolarHBondContact O-N 3.02Å; L938-Q944 HydrophobicContact CD1-CB 4.02Å; L938-M945 HydrophobicContact CD2-CG 4.35Å; L938-M945 HydrophobicContact CG-CB 4.31Å; L938-M945 HydrophobicContact CG-CG 4.46Å; L938-V948 HydrophobicContact CD1-CG2 4.16Å; L938-V948 HydrophobicContact CD2-CB 4.35Å; L938-V948 HydrophobicContact CD2-CG1 4.3Å; L938-V948 HydrophobicContact CD2-CG2 4.08Å; L938-Y975 WeakPolarHBondContact CD2-OH 3.41Å; L938-L979 HydrophobicContact CD2-CD2 4.2Å |
| 939 | I | 91.7 | Very high | 92.4 | Very high | 14 Ų | 14 | 22.3 Ų | 22.3 | 7% | 0.072 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -11.8 | -179 | -162.5 | 149.7 | 0 | 0 | 0 | 114.9 | F469 R471 H935 C937 N941 M945 | F469-I939 VanDerWaalsContact O-CG2 3.32Å; F469-I939 WeakPolarHBondContact O-CG2 3.41Å; R471-I939 VanDerWaalsContact C-CD1 3.49Å; H935-I939 PolarHBondContact O-N 3.27Å; H935-I939 VanDerWaalsContact O-N 3.1Å; C937-I939 PolarHBondContact O-N 3.11Å; I939-N941 PolarHBondContact O-N 2.97Å; I939-M945 HydrophobicContact CB-CE 3.63Å; I939-M945 HydrophobicContact CD1-CE 3.76Å; I939-M945 HydrophobicContact CG1-CE 3.45Å; I939-M945 VanDerWaalsContact CG1-CE 3.45Å |
| 940 | L | 90.5 | Very high | 92.2 | Very high | 22 Ų | 22 | 27.9 Ų | 27.9 | 12% | 0.115 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -0.5 | 173.1 | -49.7 | 175.6 | 0 | 0 | 0 | 113 | M524 V525 K528 C937 L938 | M524-L940 HydrophobicContact CB-CD1 3.6Å; V525-L940 HydrophobicContact CG2-CD1 3.76Å; V525-L940 HydrophobicContact CG2-CD2 3.74Å; V525-L940 HydrophobicContact CG2-CG 4.41Å; K528-L940 HydrophobicContact CD-CB 3.95Å; K528-L940 WeakPolarHBondContact CE-O 3.33Å; K528-L940 PolarHBondContact NZ-O 3.07Å; K528-L940 VanDerWaalsContact NZ-O 3.13Å; C937-L940 WeakPolarHBondContact O-CB 3.49Å; C937-L940 WeakPolarHBondContact O-CG 3.35Å; C937-L940 PolarHBondContact O-N 3.31Å; C937-L940 VanDerWaalsContact O-N 3.15Å; L938-L940 PolarHBondContact O-N 3.45Å; L938-L940 VanDerWaalsContact O-N 3.13Å |
| 941 | N | 89.5 | Confident | 92 | Very high | 44 Ų | 44 | 28.6 Ų | 28.6 | 24% | 0.235 | 15% | 0.147 | C | C | . | . | trans | -137.9 | 99.1 | 175.5 | -168.6 | -21.4 | 0 | 0 | 0 | 110.6 | L938 I939 D943 Q944 M945 | L938-N941 PolarHBondContact O-N 3.02Å; I939-N941 PolarHBondContact O-N 2.97Å; N941-D943 VanDerWaalsContact C-N 3.33Å; N941-D943 PolarHBondContact O-N 3.31Å; N941-D943 PolarHBondContact OD1-N 3.34Å; N941-Q944 HydrophobicContact CB-CB 3.98Å; N941-Q944 HydrophobicContact CB-CG 4.33Å; N941-Q944 WeakPolarHBondContact ND2-CG 3.46Å; N941-Q944 PolarHBondContact ND2-OE1 2.92Å; N941-Q944 PolarHBondContact O-N 3.4Å; N941-Q944 PolarHBondContact OD1-N 2.94Å; N941-M945 PolarHBondContact O-N 3.19Å | ||
| 942 | Q | 88.4 | Confident | 91.8 | Very high | 63 Ų | 63 | 28.6 Ų | 28.6 | 29% | 0.294 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -66.1 | -34.5 | -173.8 | -63.4 | -178 | 38.8 | 0 | 0 | 112.5 | M945 A946 H985 | Q942-M945 PolarHBondContact O-N 2.87Å; Q942-A946 WeakPolarHBondContact O-CB 3.31Å; Q942-A946 PolarHBondContact O-N 2.97Å; Q942-H985 PolarHBondContact OE1-ND1 3.38Å |
| 943 | D | 89.4 | Confident | 91.5 | Very high | 115 Ų | 115 | 29.4 Ų | 29.4 | 62% | 0.615 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -71.7 | -43.7 | 179.4 | -64.1 | -63.7 | 0 | 0 | 0 | 111.6 | N941 M945 A946 Q947 | N941-D943 VanDerWaalsContact C-N 3.33Å; N941-D943 PolarHBondContact O-N 3.31Å; N941-D943 PolarHBondContact OD1-N 3.34Å; D943-M945 VanDerWaalsContact C-N 3.32Å; D943-M945 PolarHBondContact O-N 3.2Å; D943-A946 PolarHBondContact O-N 3.13Å; D943-Q947 WeakPolarHBondContact O-CB 3.39Å; D943-Q947 PolarHBondContact O-N 3.45Å |
| 944 | Q | 93 | Very high | 91 | Very high | 37 Ų | 37 | 29.2 Ų | 29.2 | 17% | 0.173 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.8 | -40.4 | 171.1 | -79.5 | -177 | -31.4 | 0 | 0 | 112 | D892 I895 L938 N941 A946 Q947 V948 | D892-Q944 PolarHBondContact OD1-NE2 3Å; I895-Q944 HydrophobicContact CD1-CB 3.76Å; I895-Q944 HydrophobicContact CD1-CG 3.81Å; L938-Q944 HydrophobicContact CD1-CB 4.02Å; N941-Q944 HydrophobicContact CB-CB 3.98Å; N941-Q944 HydrophobicContact CB-CG 4.33Å; N941-Q944 WeakPolarHBondContact ND2-CG 3.46Å; N941-Q944 PolarHBondContact ND2-OE1 2.92Å; N941-Q944 PolarHBondContact O-N 3.4Å; N941-Q944 PolarHBondContact OD1-N 2.94Å; Q944-A946 VanDerWaalsContact C-N 3.35Å; Q944-A946 PolarHBondContact O-N 3.33Å; Q944-Q947 PolarHBondContact O-N 3.39Å; Q944-V948 WeakPolarHBondContact O-CG2 3.49Å; Q944-V948 PolarHBondContact O-N 3.4Å |
| 945 | M | 92.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64 | -40.2 | 174.4 | -166.2 | -164 | -69.2 | 0 | 0 | 112 | L938 I939 N941 Q942 D943 Q947 V948 F949 L979 C983 L986 | L938-M945 HydrophobicContact CD2-CG 4.35Å; L938-M945 HydrophobicContact CG-CB 4.31Å; L938-M945 HydrophobicContact CG-CG 4.46Å; I939-M945 HydrophobicContact CB-CE 3.63Å; I939-M945 HydrophobicContact CD1-CE 3.76Å; I939-M945 HydrophobicContact CG1-CE 3.45Å; I939-M945 VanDerWaalsContact CG1-CE 3.45Å; N941-M945 PolarHBondContact O-N 3.19Å; Q942-M945 PolarHBondContact O-N 2.87Å; D943-M945 VanDerWaalsContact C-N 3.32Å; D943-M945 PolarHBondContact O-N 3.2Å; M945-Q947 VanDerWaalsContact C-N 3.33Å; M945-V948 PolarHBondContact O-N 3.45Å; M945-F949 WeakPolarHBondContact O-CB 3.36Å; M945-F949 PolarHBondContact O-N 3.05Å; M945-L979 HydrophobicContact CE-CD2 4.48Å; M945-L979 HydrophobicContact CG-CD2 3.77Å; M945-L979 HydrophobicContact SD-CD2 3.99Å; M945-C983 HydrophobicContact CE-CB 3.98Å; M945-C983 HydrophobicContact SD-CB 3.42Å; M945-C983 WeakPolarHBondContact SD-CB 3.3Å; M945-L986 HydrophobicContact CG-CD1 4.02Å; M945-L986 HydrophobicContact SD-CD1 3.48Å; M945-L986 WeakPolarHBondContact SD-CD1 3.02Å; M945-L986 HydrophobicContact SD-CG 3.92Å |
| 946 | A | 92 | Very high | 89.8 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.3 | -38.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q942 D943 Q944 F949 E950 L986 K989 F990 | Q942-A946 WeakPolarHBondContact O-CB 3.31Å; Q942-A946 PolarHBondContact O-N 2.97Å; D943-A946 PolarHBondContact O-N 3.13Å; Q944-A946 VanDerWaalsContact C-N 3.35Å; Q944-A946 PolarHBondContact O-N 3.33Å; A946-F949 PolarHBondContact O-N 3.23Å; A946-E950 WeakPolarHBondContact O-CB 3.49Å; A946-E950 PolarHBondContact O-N 2.75Å; A946-L986 HydrophobicContact CB-CD2 4.1Å; A946-K989 HydrophobicContact CB-CD 4.26Å; A946-F990 HydrophobicContact CB-CE2 4.34Å |
| 947 | Q | 93.5 | Very high | 88.5 | Confident | 78 Ų | 78 | 35.9 Ų | 35.9 | 36% | 0.364 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.5 | -44.5 | 174.3 | -173.8 | 174 | 17.7 | 0 | 0 | 112.2 | I895 N899 D943 Q944 M945 F949 E950 G951 | I895-Q947 HydrophobicContact CG2-CG 4.05Å; N899-Q947 PolarHBondContact ND2-NE2 3.23Å; N899-Q947 PolarHBondContact OD1-NE2 2.88Å; N899-Q947 VanDerWaalsContact OD1-NE2 3.15Å; D943-Q947 WeakPolarHBondContact O-CB 3.39Å; D943-Q947 PolarHBondContact O-N 3.45Å; Q944-Q947 PolarHBondContact O-N 3.39Å; M945-Q947 VanDerWaalsContact C-N 3.33Å; Q947-F949 VanDerWaalsContact C-N 3.34Å; Q947-F949 PolarHBondContact O-N 3.34Å; Q947-E950 PolarHBondContact O-N 3.14Å; Q947-G951 PolarHBondContact O-N 2.72Å |
| 948 | V | 94.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.2 | -47.3 | 172.5 | 169 | 0 | 0 | 0 | 0 | 110.8 | I895 L898 L931 L938 Q944 M945 E950 G951 L952 Y975 L979 | I895-V948 HydrophobicContact CD1-CG2 3.99Å; I895-V948 HydrophobicContact CG1-CG2 3.61Å; L898-V948 HydrophobicContact CD2-CB 4.41Å; L898-V948 HydrophobicContact CD2-CG1 4.3Å; L898-V948 HydrophobicContact CD2-CG2 4.46Å; L931-V948 HydrophobicContact CD1-CG1 3.88Å; L931-V948 HydrophobicContact CD1-CG2 3.88Å; L938-V948 HydrophobicContact CD1-CG2 4.16Å; L938-V948 HydrophobicContact CD2-CB 4.35Å; L938-V948 HydrophobicContact CD2-CG1 4.3Å; L938-V948 HydrophobicContact CD2-CG2 4.08Å; Q944-V948 WeakPolarHBondContact O-CG2 3.49Å; Q944-V948 PolarHBondContact O-N 3.4Å; M945-V948 PolarHBondContact O-N 3.45Å; V948-E950 PolarHBondContact O-N 3.32Å; V948-G951 PolarHBondContact O-N 2.66Å; V948-L952 HydrophobicContact CG1-CD1 3.72Å; V948-L952 HydrophobicContact CG1-CG 4.23Å; V948-L952 WeakPolarHBondContact O-CB 3.47Å; V948-L952 VanDerWaalsContact O-CG 3.25Å; V948-L952 WeakPolarHBondContact O-CG 3.39Å; V948-L952 PolarHBondContact O-N 2.92Å; V948-Y975 HydrophobicContact CG1-CE1 4.24Å; V948-L979 HydrophobicContact CG1-CD1 3.84Å |
| 949 | F | 92.9 | Very high | 84.3 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | -178.6 | -171.7 | -97.4 | 0 | 0 | 0 | 112.3 | M945 A946 Q947 C953 L976 L979 Y980 L986 F990 F994 | M945-F949 WeakPolarHBondContact O-CB 3.36Å; M945-F949 PolarHBondContact O-N 3.05Å; A946-F949 PolarHBondContact O-N 3.23Å; Q947-F949 VanDerWaalsContact C-N 3.34Å; Q947-F949 PolarHBondContact O-N 3.34Å; F949-C953 WeakPolarHBondContact O-CB 3.48Å; F949-C953 PolarHBondContact O-N 3.31Å; F949-C953 VanDerWaalsContact O-N 3.09Å; F949-C953 PolarHBondContact O-SG 3.39Å; F949-L976 HydrophobicContact CD2-CD2 3.65Å; F949-L976 HydrophobicContact CE2-CD2 3.68Å; F949-L976 HydrophobicContact CG-CD2 4.33Å; F949-L976 HydrophobicContact CZ-CD2 4.4Å; F949-L979 HydrophobicContact CD2-CB 4.14Å; F949-L979 HydrophobicContact CD2-CD1 4.4Å; F949-Y980 HydrophobicContact CE2-CD2 4.49Å; F949-Y980 HydrophobicContact CZ-CD2 4.1Å; F949-L986 HydrophobicContact CB-CD1 4.1Å; F949-L986 HydrophobicContact CB-CD2 4.05Å; F949-L986 HydrophobicContact CD2-CD1 3.84Å; F949-L986 HydrophobicContact CG-CD1 3.99Å; F949-L986 HydrophobicContact CG-CD2 4.25Å; F949-F990 HydrophobicContact CD1-CB 4.46Å; F949-F990 HydrophobicContact CD1-CD1 4.36Å; F949-F990 AromaticContact CD1-CD2 3.47Å; F949-F990 HydrophobicContact CD1-CD2 3.47Å; F949-F990 VanDerWaalsContact CD1-CD2 3.47Å; F949-F990 HydrophobicContact CD1-CE1 4.48Å; F949-F990 AromaticContact CD1-CE2 3.62Å; F949-F990 HydrophobicContact CD1-CE2 3.62Å; F949-F990 AromaticContact CD1-CG 3.86Å; F949-F990 HydrophobicContact CD1-CG 3.86Å; F949-F990 HydrophobicContact CD1-CZ 4.13Å; F949-F990 HydrophobicContact CE1-CB 3.81Å; F949-F990 HydrophobicContact CE1-CD1 4.29Å; F949-F990 AromaticContact CE1-CD2 3.7Å; F949-F990 HydrophobicContact CE1-CD2 3.7Å; F949-F990 HydrophobicContact CE1-CE2 4.3Å; F949-F990 AromaticContact CE1-CG 3.68Å; F949-F990 HydrophobicContact CE1-CG 3.68Å; F949-F990 HydrophobicContact CG-CD2 4.46Å; F949-F990 HydrophobicContact CG-CE2 4.45Å; F949-F994 HydrophobicContact CE1-CD2 4.27Å; F949-F994 HydrophobicContact CE1-CG 4.39Å; F949-F994 HydrophobicContact CE2-CD1 4.42Å; F949-F994 HydrophobicContact CE2-CE1 4.16Å; F949-F994 HydrophobicContact CE2-CE2 4.33Å; F949-F994 HydrophobicContact CE2-CZ 4.11Å; F949-F994 HydrophobicContact CZ-CB 4.33Å; F949-F994 AromaticContact CZ-CD1 3.79Å; F949-F994 HydrophobicContact CZ-CD1 3.79Å; F949-F994 AromaticContact CZ-CD2 3.65Å; F949-F994 HydrophobicContact CZ-CD2 3.65Å; F949-F994 AromaticContact CZ-CE1 3.92Å; F949-F994 HydrophobicContact CZ-CE1 3.92Å; F949-F994 AromaticContact CZ-CE2 3.77Å; F949-F994 HydrophobicContact CZ-CE2 3.77Å; F949-F994 AromaticContact CZ-CG 3.66Å; F949-F994 HydrophobicContact CZ-CG 3.66Å; F949-F994 AromaticContact CZ-CZ 3.92Å; F949-F994 HydrophobicContact CZ-CZ 3.92Å |
| 950 | E | 90.3 | Very high | 82.3 | Confident | 117 Ų | 117 | 49.4 Ų | 49.4 | 55% | 0.547 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.6 | -45.6 | 177.6 | -169.1 | 165.6 | 170.7 | 0 | 0 | 111.9 | A946 Q947 V948 C953 G954 F990 | A946-E950 WeakPolarHBondContact O-CB 3.49Å; A946-E950 PolarHBondContact O-N 2.75Å; Q947-E950 PolarHBondContact O-N 3.14Å; V948-E950 PolarHBondContact O-N 3.32Å; E950-C953 WeakPolarHBondContact O-CB 3.41Å; E950-C953 PolarHBondContact O-N 2.94Å; E950-G954 PolarHBondContact O-N 3.06Å; E950-F990 HydrophobicContact CB-CZ 4.46Å |
| 951 | G | 90.3 | Very high | 80.3 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q947 V948 C953 G954 V955 | Q947-G951 PolarHBondContact O-N 2.72Å; V948-G951 PolarHBondContact O-N 2.66Å; G951-C953 VanDerWaalsContact C-N 3.33Å; G951-C953 PolarHBondContact O-N 3.36Å; G951-G954 PolarHBondContact O-N 2.88Å; G951-G954 VanDerWaalsContact O-N 3.11Å; G951-V955 PolarHBondContact O-N 3.31Å |
| 952 | L | 91.2 | Very high | 78.5 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.8 | -35.7 | 175.7 | -67.4 | 176.7 | 0 | 0 | 0 | 112.2 | L898 C924 V928 V948 G954 V955 V956 I972 Y975 L976 L979 | L898-L952 HydrophobicContact CD1-CD2 3.77Å; L898-L952 HydrophobicContact CD1-CG 4.34Å; L898-L952 HydrophobicContact CD2-CD2 4.13Å; L898-L952 HydrophobicContact CD2-CG 4.01Å; C924-L952 VanDerWaalsContact SG-CD2 3.6Å; V928-L952 HydrophobicContact CG2-CD1 4.14Å; V928-L952 HydrophobicContact CG2-CD2 3.44Å; V928-L952 VanDerWaalsContact CG2-CD2 3.44Å; V928-L952 HydrophobicContact CG2-CG 4.46Å; V948-L952 HydrophobicContact CG1-CD1 3.72Å; V948-L952 HydrophobicContact CG1-CG 4.23Å; V948-L952 WeakPolarHBondContact O-CB 3.47Å; V948-L952 VanDerWaalsContact O-CG 3.25Å; V948-L952 WeakPolarHBondContact O-CG 3.39Å; V948-L952 PolarHBondContact O-N 2.92Å; L952-G954 VanDerWaalsContact C-N 3.31Å; L952-V955 PolarHBondContact O-N 3.4Å; L952-V956 PolarHBondContact O-N 2.99Å; L952-I972 HydrophobicContact CB-CG2 4.42Å; L952-I972 HydrophobicContact CD2-CG2 4.16Å; L952-Y975 HydrophobicContact CD1-CD1 3.71Å; L952-Y975 HydrophobicContact CD1-CE1 4.11Å; L952-L976 HydrophobicContact CB-CD1 4.21Å; L952-L976 HydrophobicContact CB-CD2 3.65Å; L952-L976 HydrophobicContact CB-CG 3.92Å; L952-L976 HydrophobicContact CD1-CD2 4.36Å; L952-L976 HydrophobicContact CD1-CG 4.42Å; L952-L979 HydrophobicContact CD1-CD1 4.09Å |
| 953 | C | 85.9 | Confident | 76.9 | Confident | 25 Ų | 25 | 61.3 Ų | 61.3 | 17% | 0.169 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66 | -32.6 | 172 | -72.5 | 0 | 0 | 0 | 0 | 112.7 | F949 E950 G951 | F949-C953 WeakPolarHBondContact O-CB 3.48Å; F949-C953 PolarHBondContact O-N 3.31Å; F949-C953 VanDerWaalsContact O-N 3.09Å; F949-C953 PolarHBondContact O-SG 3.39Å; E950-C953 WeakPolarHBondContact O-CB 3.41Å; E950-C953 PolarHBondContact O-N 2.94Å; G951-C953 VanDerWaalsContact C-N 3.33Å; G951-C953 PolarHBondContact O-N 3.36Å |
| 954 | G | 81 | Confident | 75.5 | Confident | 39 Ų | 39 | 58.6 Ų | 58.6 | 40% | 0.402 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.2 | -33.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E950 G951 L952 | E950-G954 PolarHBondContact O-N 3.06Å; G951-G954 PolarHBondContact O-N 2.88Å; G951-G954 VanDerWaalsContact O-N 3.11Å; L952-G954 VanDerWaalsContact C-N 3.31Å |
| 955 | V | 81.4 | Confident | 74.7 | Confident | 32 Ų | 32 | 57.6 Ų | 57.6 | 19% | 0.194 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.3 | -52 | 174 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | L898 L901 C924 G951 L952 K957 | L898-V955 HydrophobicContact CD1-CG2 4.43Å; L901-V955 HydrophobicContact CB-CG2 4.43Å; L901-V955 HydrophobicContact CD1-CG2 4.26Å; C924-V955 HydrophobicContact CB-CG1 4.46Å; G951-V955 PolarHBondContact O-N 3.31Å; L952-V955 PolarHBondContact O-N 3.4Å; V955-K957 VanDerWaalsContact C-N 3.28Å; V955-K957 PolarHBondContact O-N 3.06Å |
| 956 | V | 78 | Confident | 74.3 | Confident | 13 Ų | 13 | 58 Ų | 58 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -87.3 | 63.7 | -174.1 | -162.9 | 0 | 0 | 0 | 0 | 111.8 | L952 H958 I972 L973 | L952-V956 PolarHBondContact O-N 2.99Å; V956-H958 PolarHBondContact O-N 3.21Å; V956-I972 HydrophobicContact CG2-CB 4.24Å; V956-I972 HydrophobicContact CG2-CG2 3.5Å; V956-I972 VanDerWaalsContact CG2-CG2 3.5Å; V956-L973 HydrophobicContact CG1-CD2 3.98Å; V956-L973 HydrophobicContact CG1-CG 4.41Å |
| 957 | K | 64.5 | Low | 74.1 | Confident | 130 Ų | 130 | 58 Ų | 58 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | trans | -43.7 | 130.4 | -175.3 | -68.5 | 166.6 | -176.8 | 160.1 | 0 | 112.6 | V955 G959 | V955-K957 VanDerWaalsContact C-N 3.28Å; V955-K957 PolarHBondContact O-N 3.06Å; K957-G959 PolarHBondContact O-N 3.18Å | ||
| 958 | H | 49.4 | Very low | 73.9 | Confident | 145 Ų | 145 | 54.5 Ų | 54.5 | 67% | 0.671 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 9.6 | -164 | -61.2 | -19 | 0 | 0 | 0 | 118.8 | V956 | V956-H958 PolarHBondContact O-N 3.21Š|
| 959 | G | 49.7 | Very low | 73.5 | Confident | 75 Ų | 75 | 56.2 Ų | 56.2 | 77% | 0.773 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -2.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | K957 | K957-G959 PolarHBondContact O-N 3.18Š|
| 960 | M | 50.4 | Low | 73.3 | Confident | 83 Ų | 83 | 57.2 Ų | 57.2 | 41% | 0.409 | 32% | 0.32 | S | S | . | . | trans | -74 | 136.2 | -169.2 | -64.3 | 178.5 | 78.9 | 0 | 0 | 114.5 | R962 E969 | M960-R962 WeakPolarHBondContact O-CG 3.32Å; M960-E969 VanDerWaalsContact CE-OE1 3.23Å; M960-E969 WeakPolarHBondContact CE-OE1 3.15Å | ||
| 961 | N | 47.4 | Very low | 73.3 | Confident | 146 Ų | 146 | 51.7 Ų | 51.7 | 78% | 0.781 | 29% | 0.294 | S | S | * | . | trans | -70.2 | 129.3 | 164.5 | -90.8 | -30.4 | 0 | 0 | 0 | 109.6 | S963 | N961-S963 VanDerWaalsContact C-N 3.3Å; N961-S963 PolarHBondContact O-N 3.15Å | ||
| 962 | R | 52.3 | Low | 73.4 | Confident | 158 Ų | 158 | 51 Ų | 51 | 60% | 0.596 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | 40.9 | -148 | -57.8 | -175.2 | 176.9 | 93.3 | 6.6 | 115.3 | M960 | M960-R962 WeakPolarHBondContact O-CG 3.32Š|
| 963 | S | 54.3 | Low | 73.3 | Confident | 75 Ų | 75 | 52.6 Ų | 52.6 | 52% | 0.524 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.3 | -25.2 | -179 | 48.3 | 0 | 0 | 0 | 0 | 114.9 | N961 | N961-S963 VanDerWaalsContact C-N 3.3Å; N961-S963 PolarHBondContact O-N 3.15Å |
| 964 | D | 61.8 | Low | 73.4 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 31% | 0.305 | 29% | 0.287 | S | S | . | . | trans | -111.2 | 51.2 | -162.5 | -60.4 | 23.9 | 0 | 0 | 0 | 111.9 | K1042 Y1085 | D964-K1042 WeakPolarHBondContact OD2-CE 3.46Å; D964-K1042 IonicContact OD2-NZ 2.63Å; D964-K1042 PolarHBondContact OD2-NZ 2.74Å; D964-Y1085 WeakPolarHBondContact O-CE1 3.35Å | ||
| 965 | G | 74.3 | Confident | 74 | Confident | 16 Ų | 16 | 49.6 Ų | 49.6 | 17% | 0.165 | 27% | 0.268 | C | S | . | . | trans | -112.3 | 150.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G1084 Y1085 | G965-G1084 CarbonylContact O-C 3.49Å; G965-G1084 WeakPolarHBondContact O-CA 3.49Å; G965-G1084 VanDerWaalsContact O-O 3.1Å; G965-Y1085 PolarHBondContact O-N 3.41Å | ||
| 966 | S | 84.6 | Confident | 74.4 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | trans | -64.7 | 167.6 | 178.2 | 60.5 | 0 | 0 | 0 | 0 | 114.3 | A968 E969 R970 E1081 | S966-A968 VanDerWaalsContact C-N 3.26Å; S966-A968 PolarHBondContact O-N 2.7Å; S966-E969 WeakPolarHBondContact CB-OE2 3.38Å; S966-E969 PolarHBondContact N-OE2 3.22Å; S966-E969 PolarHBondContact O-N 2.75Å; S966-E969 WeakPolarHBondContact OG-CB 3.48Å; S966-E969 VanDerWaalsContact OG-CD 3.31Å; S966-E969 VanDerWaalsContact OG-CG 3.23Å; S966-E969 WeakPolarHBondContact OG-CG 3.01Å; S966-E969 PolarHBondContact OG-N 2.65Å; S966-E969 VanDerWaalsContact OG-N 3.12Å; S966-E969 PolarHBondContact OG-OE2 2.8Å; S966-R970 PolarHBondContact O-N 3Å; S966-E1081 WeakPolarHBondContact CA-OE2 3.22Å; S966-E1081 VanDerWaalsContact CB-OE2 3.25Å; S966-E1081 WeakPolarHBondContact CB-OE2 3.46Å | ||
| 967 | S | 88.3 | Confident | 75 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.2 | -37 | 173 | 87.6 | 0 | 0 | 0 | 0 | 111.6 | R970 C971 E1081 R1139 | S967-R970 PolarHBondContact O-N 3.47Å; S967-C971 PolarHBondContact O-N 3.33Å; S967-C971 VanDerWaalsContact O-N 3.16Å; S967-C971 PolarHBondContact O-SG 3.06Å; S967-C971 VanDerWaalsContact O-SG 3.33Å; S967-E1081 VanDerWaalsContact CB-OE1 3.23Å; S967-E1081 WeakPolarHBondContact CB-OE1 3.42Å; S967-E1081 PolarHBondContact N-OE1 3.41Å; S967-E1081 PolarHBondContact N-OE2 3.2Å; S967-E1081 PolarHBondContact OG-OE1 2.83Å; S967-R1139 PolarHBondContact OG-NH1 2.85Å; S967-R1139 VanDerWaalsContact OG-NH1 3.13Å |
| 968 | A | 88.9 | Confident | 76.3 | Confident | 5 Ų | 5 | 43.4 Ų | 43.4 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.4 | -47.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T921 L925 S966 R970 C971 I972 | T921-A968 HydrophobicContact CG2-CB 3.58Å; L925-A968 HydrophobicContact CB-CB 4.06Å; L925-A968 HydrophobicContact CD1-CB 4.42Å; L925-A968 HydrophobicContact CD2-CB 3.92Å; L925-A968 HydrophobicContact CG-CB 4.35Å; S966-A968 VanDerWaalsContact C-N 3.26Å; S966-A968 PolarHBondContact O-N 2.7Å; A968-R970 VanDerWaalsContact C-N 3.29Å; A968-R970 PolarHBondContact O-N 2.76Å; A968-C971 PolarHBondContact O-N 3.4Å; A968-C971 VanDerWaalsContact O-N 3.12Å; A968-I972 WeakPolarHBondContact O-CG1 3.35Å; A968-I972 PolarHBondContact O-N 3.3Å |
| 969 | E | 86.1 | Confident | 78.3 | Confident | 37 Ų | 37 | 36.5 Ų | 36.5 | 17% | 0.173 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.2 | -37.3 | 175.4 | -74.1 | 164.3 | 121.4 | 0 | 0 | 112.2 | T921 M960 S966 C971 I972 L973 | T921-E969 HydrophobicContact CG2-CG 4.07Å; M960-E969 VanDerWaalsContact CE-OE1 3.23Å; M960-E969 WeakPolarHBondContact CE-OE1 3.15Å; S966-E969 WeakPolarHBondContact CB-OE2 3.38Å; S966-E969 PolarHBondContact N-OE2 3.22Å; S966-E969 PolarHBondContact O-N 2.75Å; S966-E969 WeakPolarHBondContact OG-CB 3.48Å; S966-E969 VanDerWaalsContact OG-CD 3.31Å; S966-E969 VanDerWaalsContact OG-CG 3.23Å; S966-E969 WeakPolarHBondContact OG-CG 3.01Å; S966-E969 PolarHBondContact OG-N 2.65Å; S966-E969 VanDerWaalsContact OG-N 3.12Å; S966-E969 PolarHBondContact OG-OE2 2.8Å; E969-C971 PolarHBondContact O-N 2.88Å; E969-I972 PolarHBondContact O-N 2.74Å; E969-L973 WeakPolarHBondContact O-CB 3.2Å; E969-L973 WeakPolarHBondContact O-CG 3.37Å; E969-L973 PolarHBondContact O-N 2.79Å |
| 970 | R | 88.3 | Confident | 80.3 | Confident | 22 Ų | 22 | 34 Ų | 34 | 8% | 0.083 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.2 | -43.4 | 173.2 | -74 | -170.7 | 178.8 | -177.2 | 8.4 | 112.6 | S966 S967 A968 L973 A974 I1005 T1083 G1084 | S966-R970 PolarHBondContact O-N 3Å; S967-R970 PolarHBondContact O-N 3.47Å; A968-R970 VanDerWaalsContact C-N 3.29Å; A968-R970 PolarHBondContact O-N 2.76Å; R970-L973 PolarHBondContact O-N 2.62Å; R970-A974 VanDerWaalsContact O-CB 3.31Å; R970-A974 WeakPolarHBondContact O-CB 3.3Å; R970-A974 PolarHBondContact O-N 3.01Å; R970-I1005 HydrophobicContact CB-CD1 4.27Å; R970-I1005 VanDerWaalsContact O-CD1 3.27Å; R970-I1005 WeakPolarHBondContact O-CD1 2.87Å; R970-T1083 PolarHBondContact NH1-O 2.84Å; R970-T1083 PolarHBondContact NH2-O 3.21Å; R970-G1084 PolarHBondContact NH2-O 3.38Å |
| 971 | C | 92 | Very high | 82.2 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.3 | -40.5 | 178.1 | -63.9 | 0 | 0 | 0 | 0 | 111.8 | L925 S967 A968 E969 A974 Y975 L1208 | L925-C971 HydrophobicContact CD1-CB 3.33Å; S967-C971 PolarHBondContact O-N 3.33Å; S967-C971 VanDerWaalsContact O-N 3.16Å; S967-C971 PolarHBondContact O-SG 3.06Å; S967-C971 VanDerWaalsContact O-SG 3.33Å; A968-C971 PolarHBondContact O-N 3.4Å; A968-C971 VanDerWaalsContact O-N 3.12Å; E969-C971 PolarHBondContact O-N 2.88Å; C971-A974 PolarHBondContact O-N 3.05Å; C971-Y975 PolarHBondContact O-N 3.49Å; C971-L1208 HydrophobicContact CB-CD2 4.38Å |
| 972 | I | 91.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.5 | -47 | 174.8 | -61.4 | 159.3 | 0 | 0 | 0 | 110.8 | T921 C924 V928 L952 V956 A968 E969 A974 Y975 L976 | T921-I972 HydrophobicContact CG2-CD1 4.3Å; C924-I972 HydrophobicContact CB-CD1 3.92Å; V928-I972 HydrophobicContact CG2-CB 4.46Å; V928-I972 HydrophobicContact CG2-CG1 3.94Å; L952-I972 HydrophobicContact CB-CG2 4.42Å; L952-I972 HydrophobicContact CD2-CG2 4.16Å; V956-I972 HydrophobicContact CG2-CB 4.24Å; V956-I972 HydrophobicContact CG2-CG2 3.5Å; V956-I972 VanDerWaalsContact CG2-CG2 3.5Å; A968-I972 WeakPolarHBondContact O-CG1 3.35Å; A968-I972 PolarHBondContact O-N 3.3Å; E969-I972 PolarHBondContact O-N 2.74Å; I972-A974 PolarHBondContact O-N 2.82Å; I972-Y975 PolarHBondContact O-N 3.09Å; I972-L976 HydrophobicContact CG2-CD1 4.28Å; I972-L976 PolarHBondContact O-N 3.03Å |
| 973 | L | 88.5 | Confident | 86 | Confident | 35 Ų | 35 | 18.1 Ų | 18.1 | 18% | 0.183 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.1 | -42.4 | 176.9 | -73.4 | 171.4 | 0 | 0 | 0 | 112.5 | V956 E969 R970 L976 Y977 F997 V1001 I1005 | V956-L973 HydrophobicContact CG1-CD2 3.98Å; V956-L973 HydrophobicContact CG1-CG 4.41Å; E969-L973 WeakPolarHBondContact O-CB 3.2Å; E969-L973 WeakPolarHBondContact O-CG 3.37Å; E969-L973 PolarHBondContact O-N 2.79Å; R970-L973 PolarHBondContact O-N 2.62Å; L973-L976 PolarHBondContact O-N 3.25Å; L973-Y977 PolarHBondContact O-N 3.38Å; L973-F997 HydrophobicContact CD2-CE1 3.64Å; L973-F997 HydrophobicContact CD2-CZ 3.46Å; L973-F997 VanDerWaalsContact CD2-CZ 3.46Å; L973-V1001 HydrophobicContact CB-CG1 4.29Å; L973-V1001 HydrophobicContact CD2-CG2 4.17Å; L973-I1005 HydrophobicContact CB-CD1 3.88Å |
| 974 | A | 89.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.5 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R970 C971 I972 Y977 D978 I1005 Y1006 Q1140 | R970-A974 VanDerWaalsContact O-CB 3.31Å; R970-A974 WeakPolarHBondContact O-CB 3.3Å; R970-A974 PolarHBondContact O-N 3.01Å; C971-A974 PolarHBondContact O-N 3.05Å; I972-A974 PolarHBondContact O-N 2.82Å; A974-Y977 WeakPolarHBondContact O-CB 3.32Å; A974-Y977 PolarHBondContact O-N 3.48Å; A974-D978 VanDerWaalsContact O-CG 3.3Å; A974-D978 PolarHBondContact O-N 2.83Å; A974-D978 VanDerWaalsContact O-OD1 3.07Å; A974-I1005 HydrophobicContact CB-CD1 4.1Å; A974-I1005 HydrophobicContact CB-CG2 4.36Å; A974-Y1006 HydrophobicContact CB-CE2 4.34Å; A974-Q1140 HydrophobicContact CB-CG 4.06Å |
| 975 | Y | 92.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -70.3 | -36 | 178.4 | -172.9 | -135.2 | 0 | 0 | 0 | 113.3 | V928 L931 R932 H935 L938 V948 L952 C971 I972 Y977 D978 L979 | V928-Y975 HydrophobicContact CB-CD1 4.35Å; V928-Y975 HydrophobicContact CG1-CD1 3.85Å; V928-Y975 HydrophobicContact CG1-CG 4.02Å; V928-Y975 HydrophobicContact CG2-CD1 4.11Å; L931-Y975 VanDerWaalsContact C-OH 3.25Å; L931-Y975 HydrophobicContact CB-CE1 3.72Å; L931-Y975 PolarHBondContact O-OH 3.39Å; R932-Y975 HydrophobicContact CB-CD1 4.49Å; R932-Y975 HydrophobicContact CB-CD2 3.66Å; R932-Y975 HydrophobicContact CB-CE2 3.72Å; R932-Y975 HydrophobicContact CB-CG 4.06Å; R932-Y975 HydrophobicContact CG-CD2 3.45Å; R932-Y975 VanDerWaalsContact CG-CD2 3.45Å; R932-Y975 HydrophobicContact CG-CE2 3.77Å; R932-Y975 HydrophobicContact CG-CG 4.14Å; H935-Y975 AromaticContact ND1-CE2 3.84Å; L938-Y975 WeakPolarHBondContact CD2-OH 3.41Å; V948-Y975 HydrophobicContact CG1-CE1 4.24Å; L952-Y975 HydrophobicContact CD1-CD1 3.71Å; L952-Y975 HydrophobicContact CD1-CE1 4.11Å; C971-Y975 PolarHBondContact O-N 3.49Å; I972-Y975 PolarHBondContact O-N 3.09Å; Y975-Y977 VanDerWaalsContact C-N 3.3Å; Y975-Y977 PolarHBondContact O-N 3.04Å; Y975-D978 HydrophobicContact CD2-CB 4.17Å; Y975-D978 PolarHBondContact O-N 3.17Å; Y975-L979 HydrophobicContact CD1-CD1 4.01Å; Y975-L979 HydrophobicContact CD1-CG 4.42Å; Y975-L979 HydrophobicContact CD2-CG 4.07Å; Y975-L979 HydrophobicContact CE1-CD1 3.75Å; Y975-L979 HydrophobicContact CE1-CD2 4.39Å; Y975-L979 HydrophobicContact CE1-CG 4.12Å; Y975-L979 HydrophobicContact CE2-CD1 4.3Å; Y975-L979 HydrophobicContact CE2-CD2 3.85Å; Y975-L979 HydrophobicContact CE2-CG 3.75Å; Y975-L979 HydrophobicContact CG-CD1 4.41Å; Y975-L979 HydrophobicContact CG-CG 4.41Å; Y975-L979 WeakPolarHBondContact O-CB 3.4Å; Y975-L979 WeakPolarHBondContact O-CG 3.35Å; Y975-L979 PolarHBondContact O-N 3.18Å |
| 976 | L | 91.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.3 | -40.9 | 170.2 | -83.2 | 170.2 | 0 | 0 | 0 | 112.1 | F949 L952 I972 L973 Y980 F994 | F949-L976 HydrophobicContact CD2-CD2 3.65Å; F949-L976 HydrophobicContact CE2-CD2 3.68Å; F949-L976 HydrophobicContact CG-CD2 4.33Å; F949-L976 HydrophobicContact CZ-CD2 4.4Å; L952-L976 HydrophobicContact CB-CD1 4.21Å; L952-L976 HydrophobicContact CB-CD2 3.65Å; L952-L976 HydrophobicContact CB-CG 3.92Å; L952-L976 HydrophobicContact CD1-CD2 4.36Å; L952-L976 HydrophobicContact CD1-CG 4.42Å; I972-L976 HydrophobicContact CG2-CD1 4.28Å; I972-L976 PolarHBondContact O-N 3.03Å; L973-L976 PolarHBondContact O-N 3.25Å; L976-Y980 WeakPolarHBondContact O-CB 3.08Å; L976-Y980 PolarHBondContact O-N 2.92Å; L976-Y980 VanDerWaalsContact O-N 3.08Å; L976-F994 HydrophobicContact CB-CZ 4.02Å |
| 977 | Y | 90.5 | Very high | 89.8 | Confident | 37 Ų | 37 | 20 Ų | 20 | 15% | 0.145 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.6 | -45.5 | 172.6 | 173.3 | -85.1 | 0 | 0 | 0 | 112 | L973 A974 Y975 L979 Y980 T981 C998 V1001 K1002 Y1006 | L973-Y977 PolarHBondContact O-N 3.38Å; A974-Y977 WeakPolarHBondContact O-CB 3.32Å; A974-Y977 PolarHBondContact O-N 3.48Å; Y975-Y977 VanDerWaalsContact C-N 3.3Å; Y975-Y977 PolarHBondContact O-N 3.04Å; Y977-L979 PolarHBondContact O-N 2.68Å; Y977-Y980 PolarHBondContact O-N 2.83Å; Y977-T981 HydrophobicContact CD1-CG2 4.24Å; Y977-T981 HydrophobicContact CD2-CG2 4.17Å; Y977-T981 HydrophobicContact CE1-CG2 3.91Å; Y977-T981 HydrophobicContact CE2-CG2 3.8Å; Y977-T981 HydrophobicContact CG-CG2 4.37Å; Y977-T981 WeakPolarHBondContact O-CB 3.3Å; Y977-T981 WeakPolarHBondContact O-CG2 3.37Å; Y977-T981 PolarHBondContact O-N 2.63Å; Y977-T981 PolarHBondContact O-OG1 3.39Å; Y977-C998 WeakPolarHBondContact CD2-SG 3.17Å; Y977-C998 VanDerWaalsContact CE2-SG 3.59Å; Y977-V1001 HydrophobicContact CG-CG1 4.47Å; Y977-K1002 HydrophobicContact CD2-CB 4.37Å; Y977-K1002 HydrophobicContact CE2-CB 3.7Å; Y977-K1002 HydrophobicContact CE2-CD 4.37Å; Y977-K1002 HydrophobicContact CE2-CG 4.06Å; Y977-Y1006 AromaticContact CD1-CD2 3.55Å; Y977-Y1006 HydrophobicContact CD1-CD2 3.55Å; Y977-Y1006 AromaticContact CD1-CE2 3.31Å; Y977-Y1006 HydrophobicContact CD1-CE2 3.31Å; Y977-Y1006 AromaticContact CE1-CD2 3.64Å; Y977-Y1006 HydrophobicContact CE1-CD2 3.64Å; Y977-Y1006 AromaticContact CE1-CE2 3.77Å; Y977-Y1006 HydrophobicContact CE1-CE2 3.77Å; Y977-Y1006 HydrophobicContact CG-CD2 4.11Å; Y977-Y1006 HydrophobicContact CG-CE2 4.01Å |
| 978 | D | 90.3 | Very high | 89.8 | Confident | 6 Ų | 6 | 24.7 Ų | 24.7 | 3% | 0.032 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.5 | -47.8 | 178 | -73 | 12 | 0 | 0 | 0 | 111.3 | R932 A974 Y975 T981 S982 Y1006 R1215 | R932-D978 IonicContact CZ-OD2 2.71Å; R932-D978 IonicContact NE-OD2 3.63Å; R932-D978 PolarHBondContact NE-OD2 3.37Å; R932-D978 IonicContact NH2-OD2 3.89Å; R932-D978 PolarHBondContact NH2-OD2 3.25Å; A974-D978 VanDerWaalsContact O-CG 3.3Å; A974-D978 PolarHBondContact O-N 2.83Å; A974-D978 VanDerWaalsContact O-OD1 3.07Å; Y975-D978 HydrophobicContact CD2-CB 4.17Å; Y975-D978 PolarHBondContact O-N 3.17Å; D978-T981 PolarHBondContact O-N 2.86Å; D978-T981 PolarHBondContact O-OG1 3.04Å; D978-S982 VanDerWaalsContact O-CB 3.28Å; D978-S982 WeakPolarHBondContact O-CB 3.47Å; D978-S982 PolarHBondContact O-N 3.04Å; D978-Y1006 PolarHBondContact OD1-OH 3.49Å; D978-R1215 IonicContact OD2-NE 3.71Å; D978-R1215 PolarHBondContact OD2-NE 2.9Å; D978-R1215 IonicContact OD2-NH2 3.67Å |
| 979 | L | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.4 | -55.3 | 176 | -74.8 | 173.5 | 0 | 0 | 0 | 111.7 | L938 M945 V948 F949 L952 Y975 Y977 T981 S982 C983 L986 | L938-L979 HydrophobicContact CD2-CD2 4.2Å; M945-L979 HydrophobicContact CE-CD2 4.48Å; M945-L979 HydrophobicContact CG-CD2 3.77Å; M945-L979 HydrophobicContact SD-CD2 3.99Å; V948-L979 HydrophobicContact CG1-CD1 3.84Å; F949-L979 HydrophobicContact CD2-CB 4.14Å; F949-L979 HydrophobicContact CD2-CD1 4.4Å; L952-L979 HydrophobicContact CD1-CD1 4.09Å; Y975-L979 HydrophobicContact CD1-CD1 4.01Å; Y975-L979 HydrophobicContact CD1-CG 4.42Å; Y975-L979 HydrophobicContact CD2-CG 4.07Å; Y975-L979 HydrophobicContact CE1-CD1 3.75Å; Y975-L979 HydrophobicContact CE1-CD2 4.39Å; Y975-L979 HydrophobicContact CE1-CG 4.12Å; Y975-L979 HydrophobicContact CE2-CD1 4.3Å; Y975-L979 HydrophobicContact CE2-CD2 3.85Å; Y975-L979 HydrophobicContact CE2-CG 3.75Å; Y975-L979 HydrophobicContact CG-CD1 4.41Å; Y975-L979 HydrophobicContact CG-CG 4.41Å; Y975-L979 WeakPolarHBondContact O-CB 3.4Å; Y975-L979 WeakPolarHBondContact O-CG 3.35Å; Y975-L979 PolarHBondContact O-N 3.18Å; Y977-L979 PolarHBondContact O-N 2.68Å; L979-T981 VanDerWaalsContact C-N 3.28Å; L979-T981 PolarHBondContact O-N 3.16Å; L979-S982 PolarHBondContact O-N 2.72Å; L979-C983 PolarHBondContact O-N 3.41Å; L979-L986 HydrophobicContact CB-CD1 3.98Å |
| 980 | Y | 91.3 | Very high | 89.9 | Confident | 24 Ų | 24 | 29.2 Ų | 29.2 | 9% | 0.094 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -36.1 | -178.3 | -179.3 | -94.5 | 0 | 0 | 0 | 112.2 | F949 L976 Y977 K987 F994 C998 | F949-Y980 HydrophobicContact CE2-CD2 4.49Å; F949-Y980 HydrophobicContact CZ-CD2 4.1Å; L976-Y980 WeakPolarHBondContact O-CB 3.08Å; L976-Y980 PolarHBondContact O-N 2.92Å; L976-Y980 VanDerWaalsContact O-N 3.08Å; Y977-Y980 PolarHBondContact O-N 2.83Å; Y980-K987 HydrophobicContact CE1-CG 4.21Å; Y980-K987 HydrophobicContact CE2-CG 4.2Å; Y980-K987 WeakPolarHBondContact O-CE 3.39Å; Y980-K987 VanDerWaalsContact O-CG 3.3Å; Y980-K987 WeakPolarHBondContact O-CG 3.48Å; Y980-F994 AromaticContact CD1-CD1 3.97Å; Y980-F994 HydrophobicContact CD1-CD1 3.97Å; Y980-F994 HydrophobicContact CD1-CE1 4.36Å; Y980-F994 HydrophobicContact CD2-CB 4.23Å; Y980-F994 AromaticContact CD2-CD1 3.55Å; Y980-F994 HydrophobicContact CD2-CD1 3.55Å; Y980-F994 HydrophobicContact CD2-CE1 4.3Å; Y980-F994 HydrophobicContact CD2-CG 4.21Å; Y980-F994 HydrophobicContact CE1-CD1 4.37Å; Y980-F994 HydrophobicContact CE2-CB 4.01Å; Y980-F994 AromaticContact CE2-CD1 3.98Å; Y980-F994 HydrophobicContact CE2-CD1 3.98Å; Y980-F994 HydrophobicContact CE2-CG 4.44Å; Y980-F994 AromaticContact CG-CD1 3.54Å; Y980-F994 HydrophobicContact CG-CD1 3.54Å; Y980-F994 AromaticContact CG-CE1 3.91Å; Y980-F994 HydrophobicContact CG-CE1 3.91Å; Y980-C998 HydrophobicContact CD1-CB 3.98Å; Y980-C998 HydrophobicContact CE1-CB 4.04Å |
| 981 | T | 90 | Very high | 89.6 | Confident | 46 Ų | 46 | 29 Ų | 29 | 28% | 0.282 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -78.2 | -31.2 | 178.5 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | Y977 D978 L979 K987 | Y977-T981 HydrophobicContact CD1-CG2 4.24Å; Y977-T981 HydrophobicContact CD2-CG2 4.17Å; Y977-T981 HydrophobicContact CE1-CG2 3.91Å; Y977-T981 HydrophobicContact CE2-CG2 3.8Å; Y977-T981 HydrophobicContact CG-CG2 4.37Å; Y977-T981 WeakPolarHBondContact O-CB 3.3Å; Y977-T981 WeakPolarHBondContact O-CG2 3.37Å; Y977-T981 PolarHBondContact O-N 2.63Å; Y977-T981 PolarHBondContact O-OG1 3.39Å; D978-T981 PolarHBondContact O-N 2.86Å; D978-T981 PolarHBondContact O-OG1 3.04Å; L979-T981 VanDerWaalsContact C-N 3.28Å; L979-T981 PolarHBondContact O-N 3.16Å; T981-K987 VanDerWaalsContact O-CE 3.26Å; T981-K987 WeakPolarHBondContact O-CE 3.39Å; T981-K987 PolarHBondContact O-NZ 3.23Å |
| 982 | S | 89.2 | Confident | 89.1 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 4% | 0.035 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -76.5 | -28 | 178.4 | -90.7 | 0 | 0 | 0 | 0 | 115.5 | E470 R471 S472 H935 D978 L979 | E470-S982 VanDerWaalsContact O-CB 3.29Å; E470-S982 WeakPolarHBondContact O-CB 3.38Å; E470-S982 PolarHBondContact O-OG 2.92Å; R471-S982 CarbonylContact C-O 3.57Å; R471-S982 VanDerWaalsContact CA-O 3.3Å; R471-S982 WeakPolarHBondContact CA-O 3.32Å; S472-S982 PolarHBondContact N-O 2.85Å; H935-S982 PolarHBondContact NE2-OG 3.12Å; D978-S982 VanDerWaalsContact O-CB 3.28Å; D978-S982 WeakPolarHBondContact O-CB 3.47Å; D978-S982 PolarHBondContact O-N 3.04Å; L979-S982 PolarHBondContact O-N 2.72Å |
| 983 | C | 90.1 | Very high | 88.3 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -118.2 | 121.1 | -169.3 | -173.5 | 0 | 0 | 0 | 0 | 113.6 | M945 L979 H985 L986 K987 | M945-C983 HydrophobicContact CE-CB 3.98Å; M945-C983 HydrophobicContact SD-CB 3.42Å; M945-C983 WeakPolarHBondContact SD-CB 3.3Å; L979-C983 PolarHBondContact O-N 3.41Å; C983-H985 VanDerWaalsContact C-N 3.32Å; C983-H985 PolarHBondContact O-N 3.15Å; C983-L986 HydrophobicContact CB-CB 4.35Å; C983-L986 HydrophobicContact CB-CD1 4.22Å; C983-L986 HydrophobicContact CB-CG 4.02Å; C983-L986 PolarHBondContact O-N 3.46Å; C983-K987 PolarHBondContact O-N 3.47Å |
| 984 | S | 87.6 | Confident | 88.1 | Confident | 53 Ų | 53 | 44.3 Ų | 44.3 | 37% | 0.371 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.1 | -32.9 | 177.3 | 65.6 | 0 | 0 | 0 | 0 | 113 | S472 L986 K987 S988 | S472-S984 PolarHBondContact O-N 3.39Å; S472-S984 PolarHBondContact O-OG 3.49Å; S984-L986 PolarHBondContact O-N 3.37Å; S984-K987 WeakPolarHBondContact O-CB 3.38Å; S984-K987 PolarHBondContact O-N 3.45Å; S984-S988 PolarHBondContact O-N 2.95Å; S984-S988 PolarHBondContact O-OG 3.22Å |
| 985 | H | 88.2 | Confident | 87.8 | Confident | 51 Ų | 51 | 47.1 Ų | 47.1 | 24% | 0.236 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 176.7 | -173.7 | 119 | 0 | 0 | 0 | 111.2 | Q942 C983 K987 S988 K989 | Q942-H985 PolarHBondContact OE1-ND1 3.38Å; C983-H985 VanDerWaalsContact C-N 3.32Å; C983-H985 PolarHBondContact O-N 3.15Å; H985-K987 VanDerWaalsContact C-N 3.32Å; H985-K987 PolarHBondContact O-N 2.97Å; H985-S988 WeakPolarHBondContact CA-OG 3.23Å; H985-S988 PolarHBondContact O-N 2.97Å; H985-S988 PolarHBondContact O-OG 3.49Å; H985-K989 WeakPolarHBondContact O-CB 3.37Å; H985-K989 PolarHBondContact O-N 3.17Å |
| 986 | L | 90.6 | Very high | 87.3 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.3 | -39 | 177 | -64.1 | -173.2 | 0 | 0 | 0 | 111.8 | M945 A946 F949 L979 C983 S984 S988 K989 F990 | M945-L986 HydrophobicContact CG-CD1 4.02Å; M945-L986 HydrophobicContact SD-CD1 3.48Å; M945-L986 WeakPolarHBondContact SD-CD1 3.02Å; M945-L986 HydrophobicContact SD-CG 3.92Å; A946-L986 HydrophobicContact CB-CD2 4.1Å; F949-L986 HydrophobicContact CB-CD1 4.1Å; F949-L986 HydrophobicContact CB-CD2 4.05Å; F949-L986 HydrophobicContact CD2-CD1 3.84Å; F949-L986 HydrophobicContact CG-CD1 3.99Å; F949-L986 HydrophobicContact CG-CD2 4.25Å; L979-L986 HydrophobicContact CB-CD1 3.98Å; C983-L986 HydrophobicContact CB-CB 4.35Å; C983-L986 HydrophobicContact CB-CD1 4.22Å; C983-L986 HydrophobicContact CB-CG 4.02Å; C983-L986 PolarHBondContact O-N 3.46Å; S984-L986 PolarHBondContact O-N 3.37Å; L986-S988 VanDerWaalsContact C-N 3.32Å; L986-S988 PolarHBondContact O-N 3.25Å; L986-K989 PolarHBondContact O-N 3.47Å; L986-F990 HydrophobicContact CB-CD2 4.48Å; L986-F990 HydrophobicContact CD2-CD2 3.98Å; L986-F990 HydrophobicContact CD2-CE2 3.8Å; L986-F990 PolarHBondContact O-N 2.85Å |
| 987 | K | 89.6 | Confident | 86.9 | Confident | 93 Ų | 93 | 54.6 Ų | 54.6 | 40% | 0.404 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 175.4 | -63.6 | 173.3 | -166.1 | 170.2 | 0 | 112.1 | Y980 T981 C983 S984 H985 G991 | Y980-K987 HydrophobicContact CE1-CG 4.21Å; Y980-K987 HydrophobicContact CE2-CG 4.2Å; Y980-K987 WeakPolarHBondContact O-CE 3.39Å; Y980-K987 VanDerWaalsContact O-CG 3.3Å; Y980-K987 WeakPolarHBondContact O-CG 3.48Å; T981-K987 VanDerWaalsContact O-CE 3.26Å; T981-K987 WeakPolarHBondContact O-CE 3.39Å; T981-K987 PolarHBondContact O-NZ 3.23Å; C983-K987 PolarHBondContact O-N 3.47Å; S984-K987 WeakPolarHBondContact O-CB 3.38Å; S984-K987 PolarHBondContact O-N 3.45Å; H985-K987 VanDerWaalsContact C-N 3.32Å; H985-K987 PolarHBondContact O-N 2.97Å; K987-G991 WeakPolarHBondContact O-CA 3.48Å; K987-G991 PolarHBondContact O-N 3.26Å; K987-G991 VanDerWaalsContact O-N 3.15Å |
| 988 | S | 87.7 | Confident | 86.6 | Confident | 99 Ų | 99 | 53.4 Ų | 53.4 | 69% | 0.692 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -74.4 | -38.4 | 174 | 45.5 | 0 | 0 | 0 | 0 | 113.6 | S984 H985 L986 | S984-S988 PolarHBondContact O-N 2.95Å; S984-S988 PolarHBondContact O-OG 3.22Å; H985-S988 WeakPolarHBondContact CA-OG 3.23Å; H985-S988 PolarHBondContact O-N 2.97Å; H985-S988 PolarHBondContact O-OG 3.49Å; L986-S988 VanDerWaalsContact C-N 3.32Å; L986-S988 PolarHBondContact O-N 3.25Å |
| 989 | K | 88.8 | Confident | 86.3 | Confident | 105 Ų | 105 | 56.2 Ų | 56.2 | 46% | 0.457 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -78.6 | -33.6 | -174.8 | -173.1 | 173.1 | 175.6 | -179 | 0 | 113.4 | A946 H985 L986 | A946-K989 HydrophobicContact CB-CD 4.26Å; H985-K989 WeakPolarHBondContact O-CB 3.37Å; H985-K989 PolarHBondContact O-N 3.17Å; L986-K989 PolarHBondContact O-N 3.47Å |
| 990 | F | 87.6 | Confident | 85.9 | Confident | 31 Ų | 31 | 59.6 Ų | 59.6 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -123.7 | 8.7 | -173.4 | -57.8 | -75 | 0 | 0 | 0 | 114 | A946 F949 E950 L986 E992 L993 F994 | A946-F990 HydrophobicContact CB-CE2 4.34Å; F949-F990 HydrophobicContact CD1-CB 4.46Å; F949-F990 HydrophobicContact CD1-CD1 4.36Å; F949-F990 AromaticContact CD1-CD2 3.47Å; F949-F990 HydrophobicContact CD1-CD2 3.47Å; F949-F990 VanDerWaalsContact CD1-CD2 3.47Å; F949-F990 HydrophobicContact CD1-CE1 4.48Å; F949-F990 AromaticContact CD1-CE2 3.62Å; F949-F990 HydrophobicContact CD1-CE2 3.62Å; F949-F990 AromaticContact CD1-CG 3.86Å; F949-F990 HydrophobicContact CD1-CG 3.86Å; F949-F990 HydrophobicContact CD1-CZ 4.13Å; F949-F990 HydrophobicContact CE1-CB 3.81Å; F949-F990 HydrophobicContact CE1-CD1 4.29Å; F949-F990 AromaticContact CE1-CD2 3.7Å; F949-F990 HydrophobicContact CE1-CD2 3.7Å; F949-F990 HydrophobicContact CE1-CE2 4.3Å; F949-F990 AromaticContact CE1-CG 3.68Å; F949-F990 HydrophobicContact CE1-CG 3.68Å; F949-F990 HydrophobicContact CG-CD2 4.46Å; F949-F990 HydrophobicContact CG-CE2 4.45Å; E950-F990 HydrophobicContact CB-CZ 4.46Å; L986-F990 HydrophobicContact CB-CD2 4.48Å; L986-F990 HydrophobicContact CD2-CD2 3.98Å; L986-F990 HydrophobicContact CD2-CE2 3.8Å; L986-F990 PolarHBondContact O-N 2.85Å; F990-E992 PolarHBondContact O-N 3.21Å; F990-L993 PolarHBondContact O-N 2.85Å; F990-F994 WeakPolarHBondContact O-CB 3.35Å; F990-F994 PolarHBondContact O-N 3.05Å |
| 991 | G | 83.6 | Confident | 85.6 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 19% | 0.186 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.2 | -46.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | K987 L993 F994 S995 | K987-G991 WeakPolarHBondContact O-CA 3.48Å; K987-G991 PolarHBondContact O-N 3.26Å; K987-G991 VanDerWaalsContact O-N 3.15Å; G991-L993 VanDerWaalsContact C-N 3.29Å; G991-L993 PolarHBondContact O-N 2.95Å; G991-F994 PolarHBondContact O-N 3.41Å; G991-S995 WeakPolarHBondContact O-CB 3.49Å; G991-S995 PolarHBondContact O-N 2.91Å |
| 992 | E | 80.7 | Confident | 85.5 | Confident | 202 Ų | 202 | 61.4 Ų | 61.4 | 94% | 0.944 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64 | -32.1 | -177.9 | -59.9 | -170.7 | 158 | 0 | 0 | 113.1 | F990 | F990-E992 PolarHBondContact O-N 3.21Å |
| 993 | L | 75.1 | Confident | 85.2 | Confident | 144 Ų | 144 | 66.7 Ų | 66.7 | 75% | 0.754 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -87.4 | -37.3 | -179.2 | -71.4 | 161.9 | 0 | 0 | 0 | 112.3 | F990 G991 | F990-L993 PolarHBondContact O-N 2.85Å; G991-L993 VanDerWaalsContact C-N 3.29Å; G991-L993 PolarHBondContact O-N 2.95Å |
| 994 | F | 83.6 | Confident | 84.8 | Confident | 12 Ų | 12 | 69 Ų | 69 | 5% | 0.053 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -104.7 | -19.3 | -165.6 | -158.1 | -96.5 | 0 | 0 | 0 | 115.4 | F949 L976 Y980 F990 G991 D996 F997 C998 | F949-F994 HydrophobicContact CE1-CD2 4.27Å; F949-F994 HydrophobicContact CE1-CG 4.39Å; F949-F994 HydrophobicContact CE2-CD1 4.42Å; F949-F994 HydrophobicContact CE2-CE1 4.16Å; F949-F994 HydrophobicContact CE2-CE2 4.33Å; F949-F994 HydrophobicContact CE2-CZ 4.11Å; F949-F994 HydrophobicContact CZ-CB 4.33Å; F949-F994 AromaticContact CZ-CD1 3.79Å; F949-F994 HydrophobicContact CZ-CD1 3.79Å; F949-F994 AromaticContact CZ-CD2 3.65Å; F949-F994 HydrophobicContact CZ-CD2 3.65Å; F949-F994 AromaticContact CZ-CE1 3.92Å; F949-F994 HydrophobicContact CZ-CE1 3.92Å; F949-F994 AromaticContact CZ-CE2 3.77Å; F949-F994 HydrophobicContact CZ-CE2 3.77Å; F949-F994 AromaticContact CZ-CG 3.66Å; F949-F994 HydrophobicContact CZ-CG 3.66Å; F949-F994 AromaticContact CZ-CZ 3.92Å; F949-F994 HydrophobicContact CZ-CZ 3.92Å; L976-F994 HydrophobicContact CB-CZ 4.02Å; Y980-F994 AromaticContact CD1-CD1 3.97Å; Y980-F994 HydrophobicContact CD1-CD1 3.97Å; Y980-F994 HydrophobicContact CD1-CE1 4.36Å; Y980-F994 HydrophobicContact CD2-CB 4.23Å; Y980-F994 AromaticContact CD2-CD1 3.55Å; Y980-F994 HydrophobicContact CD2-CD1 3.55Å; Y980-F994 HydrophobicContact CD2-CE1 4.3Å; Y980-F994 HydrophobicContact CD2-CG 4.21Å; Y980-F994 HydrophobicContact CE1-CD1 4.37Å; Y980-F994 HydrophobicContact CE2-CB 4.01Å; Y980-F994 AromaticContact CE2-CD1 3.98Å; Y980-F994 HydrophobicContact CE2-CD1 3.98Å; Y980-F994 HydrophobicContact CE2-CG 4.44Å; Y980-F994 AromaticContact CG-CD1 3.54Å; Y980-F994 HydrophobicContact CG-CD1 3.54Å; Y980-F994 AromaticContact CG-CE1 3.91Å; Y980-F994 HydrophobicContact CG-CE1 3.91Å; F990-F994 WeakPolarHBondContact O-CB 3.35Å; F990-F994 PolarHBondContact O-N 3.05Å; G991-F994 PolarHBondContact O-N 3.41Å; F994-D996 VanDerWaalsContact C-N 3.3Å; F994-D996 PolarHBondContact O-N 3.14Å; F994-F997 HydrophobicContact CD2-CB 4.33Å; F994-F997 HydrophobicContact CD2-CD1 4.04Å; F994-F997 HydrophobicContact CD2-CG 4.49Å; F994-F997 HydrophobicContact CE1-CD1 4.27Å; F994-F997 HydrophobicContact CE2-CB 4.49Å; F994-F997 AromaticContact CE2-CD1 3.38Å; F994-F997 HydrophobicContact CE2-CD1 3.38Å; F994-F997 AromaticContact CE2-CE1 3.84Å; F994-F997 HydrophobicContact CE2-CE1 3.84Å; F994-F997 HydrophobicContact CE2-CG 4.22Å; F994-F997 AromaticContact CZ-CD1 3.51Å; F994-F997 HydrophobicContact CZ-CD1 3.51Å; F994-F997 AromaticContact CZ-CE1 3.97Å; F994-F997 HydrophobicContact CZ-CE1 3.97Å; F994-F997 WeakPolarHBondContact O-CB 3.43Å; F994-F997 PolarHBondContact O-N 3.06Å; F994-C998 HydrophobicContact CD1-CB 3.85Å; F994-C998 HydrophobicContact CE1-CB 3.89Å; F994-C998 WeakPolarHBondContact O-CB 3.31Å; F994-C998 PolarHBondContact O-N 3.46Å |
| 995 | S | 83.9 | Confident | 84.7 | Confident | 59 Ų | 59 | 67.3 Ų | 67.3 | 41% | 0.413 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -50.7 | -48.7 | 179.6 | 171.9 | 0 | 0 | 0 | 0 | 112.9 | G991 F997 S999 | G991-S995 WeakPolarHBondContact O-CB 3.49Å; G991-S995 PolarHBondContact O-N 2.91Å; S995-F997 VanDerWaalsContact C-N 3.26Å; S995-F997 PolarHBondContact O-N 2.8Å; S995-S999 PolarHBondContact O-N 3.42Å; S995-S999 PolarHBondContact O-OG 3.45Å; S995-S999 VanDerWaalsContact O-OG 3.1Å |
| 996 | D | 81 | Confident | 84.6 | Confident | 110 Ų | 110 | 67.1 Ų | 67.1 | 59% | 0.588 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -68.5 | -25.3 | -178.7 | -119.8 | 60.1 | 0 | 0 | 0 | 112.8 | F994 K1000 | F994-D996 VanDerWaalsContact C-N 3.3Å; F994-D996 PolarHBondContact O-N 3.14Å; D996-K1000 WeakPolarHBondContact O-CD 3.33Å; D996-K1000 WeakPolarHBondContact O-CE 3.49Å; D996-K1000 VanDerWaalsContact O-CG 3.28Å; D996-K1000 WeakPolarHBondContact O-CG 3.35Å; D996-K1000 PolarHBondContact O-NZ 2.94Å; D996-K1000 IonicContact OD2-NZ 3.86Å; D996-K1000 PolarHBondContact OD2-NZ 3.35Å |
| 997 | F | 82.3 | Confident | 84.3 | Confident | 49 Ų | 49 | 68.8 Ų | 68.8 | 22% | 0.215 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -85.7 | -46.2 | 178.8 | -173.2 | -92.2 | 0 | 0 | 0 | 111.2 | L973 F994 S995 S999 K1000 V1001 | L973-F997 HydrophobicContact CD2-CE1 3.64Å; L973-F997 HydrophobicContact CD2-CZ 3.46Å; L973-F997 VanDerWaalsContact CD2-CZ 3.46Å; F994-F997 HydrophobicContact CD2-CB 4.33Å; F994-F997 HydrophobicContact CD2-CD1 4.04Å; F994-F997 HydrophobicContact CD2-CG 4.49Å; F994-F997 HydrophobicContact CE1-CD1 4.27Å; F994-F997 HydrophobicContact CE2-CB 4.49Å; F994-F997 AromaticContact CE2-CD1 3.38Å; F994-F997 HydrophobicContact CE2-CD1 3.38Å; F994-F997 AromaticContact CE2-CE1 3.84Å; F994-F997 HydrophobicContact CE2-CE1 3.84Å; F994-F997 HydrophobicContact CE2-CG 4.22Å; F994-F997 AromaticContact CZ-CD1 3.51Å; F994-F997 HydrophobicContact CZ-CD1 3.51Å; F994-F997 AromaticContact CZ-CE1 3.97Å; F994-F997 HydrophobicContact CZ-CE1 3.97Å; F994-F997 WeakPolarHBondContact O-CB 3.43Å; F994-F997 PolarHBondContact O-N 3.06Å; S995-F997 VanDerWaalsContact C-N 3.26Å; S995-F997 PolarHBondContact O-N 2.8Å; F997-S999 VanDerWaalsContact C-N 3.26Å; F997-S999 PolarHBondContact O-N 3Å; F997-K1000 CarbonylContact O-C 3.17Å; F997-K1000 WeakPolarHBondContact O-CA 3.34Å; F997-K1000 WeakPolarHBondContact O-CB 3.43Å; F997-K1000 PolarHBondContact O-N 3.06Å; F997-V1001 HydrophobicContact CD1-CG2 3.72Å; F997-V1001 HydrophobicContact CE1-CG2 3.49Å; F997-V1001 VanDerWaalsContact CE1-CG2 3.49Å; F997-V1001 HydrophobicContact CZ-CG2 4.17Å; F997-V1001 PolarHBondContact O-N 2.89Å |
| 998 | C | 85 | Confident | 84 | Confident | 13 Ų | 13 | 70 Ų | 70 | 9% | 0.088 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -48.6 | -47 | 173 | 177.1 | 0 | 0 | 0 | 0 | 112 | Y977 Y980 F994 K1000 V1001 K1002 | Y977-C998 WeakPolarHBondContact CD2-SG 3.17Å; Y977-C998 VanDerWaalsContact CE2-SG 3.59Å; Y980-C998 HydrophobicContact CD1-CB 3.98Å; Y980-C998 HydrophobicContact CE1-CB 4.04Å; F994-C998 HydrophobicContact CD1-CB 3.85Å; F994-C998 HydrophobicContact CE1-CB 3.89Å; F994-C998 WeakPolarHBondContact O-CB 3.31Å; F994-C998 PolarHBondContact O-N 3.46Å; C998-K1000 VanDerWaalsContact C-N 3.3Å; C998-K1000 PolarHBondContact O-N 3.47Å; C998-V1001 PolarHBondContact O-N 2.76Å; C998-K1002 PolarHBondContact O-N 2.74Å |
| 999 | S | 84.4 | Confident | 83.9 | Confident | 65 Ų | 65 | 66.5 Ų | 66.5 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.6 | -34.8 | 176.6 | -58.5 | 0 | 0 | 0 | 0 | 113.3 | S995 F997 N1003 | S995-S999 PolarHBondContact O-N 3.42Å; S995-S999 PolarHBondContact O-OG 3.45Å; S995-S999 VanDerWaalsContact O-OG 3.1Å; F997-S999 VanDerWaalsContact C-N 3.26Å; F997-S999 PolarHBondContact O-N 3Å; S999-N1003 VanDerWaalsContact O-CG 3.31Å; S999-N1003 PolarHBondContact O-N 3.14Å; S999-N1003 PolarHBondContact O-ND2 3.11Å |
| 1000 | K | 83.4 | Confident | 83.9 | Confident | 71 Ų | 71 | 67.2 Ų | 67.2 | 31% | 0.309 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -76.8 | -39.1 | 178.1 | -64.7 | 171.4 | -173.3 | 96 | 0 | 111.3 | D996 F997 C998 N1003 T1004 | D996-K1000 WeakPolarHBondContact O-CD 3.33Å; D996-K1000 WeakPolarHBondContact O-CE 3.49Å; D996-K1000 VanDerWaalsContact O-CG 3.28Å; D996-K1000 WeakPolarHBondContact O-CG 3.35Å; D996-K1000 PolarHBondContact O-NZ 2.94Å; D996-K1000 IonicContact OD2-NZ 3.86Å; D996-K1000 PolarHBondContact OD2-NZ 3.35Å; F997-K1000 CarbonylContact O-C 3.17Å; F997-K1000 WeakPolarHBondContact O-CA 3.34Å; F997-K1000 WeakPolarHBondContact O-CB 3.43Å; F997-K1000 PolarHBondContact O-N 3.06Å; C998-K1000 VanDerWaalsContact C-N 3.3Å; C998-K1000 PolarHBondContact O-N 3.47Å; K1000-N1003 PolarHBondContact O-N 3.2Å; K1000-T1004 WeakPolarHBondContact O-CB 3.32Å; K1000-T1004 PolarHBondContact O-N 2.96Å; K1000-T1004 VanDerWaalsContact O-N 3.08Å; K1000-T1004 PolarHBondContact O-OG1 3.41Å |
| 1001 | V | 84.9 | Confident | 84.1 | Confident | 8 Ų | 8 | 66.9 Ų | 66.9 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 173.2 | 176 | 0 | 0 | 0 | 0 | 110.6 | L973 Y977 F997 C998 N1003 T1004 I1005 | L973-V1001 HydrophobicContact CB-CG1 4.29Å; L973-V1001 HydrophobicContact CD2-CG2 4.17Å; Y977-V1001 HydrophobicContact CG-CG1 4.47Å; F997-V1001 HydrophobicContact CD1-CG2 3.72Å; F997-V1001 HydrophobicContact CE1-CG2 3.49Å; F997-V1001 VanDerWaalsContact CE1-CG2 3.49Å; F997-V1001 HydrophobicContact CZ-CG2 4.17Å; F997-V1001 PolarHBondContact O-N 2.89Å; C998-V1001 PolarHBondContact O-N 2.76Å; V1001-N1003 PolarHBondContact O-N 3.27Å; V1001-T1004 PolarHBondContact O-N 3.3Å; V1001-I1005 HydrophobicContact CG1-CD1 4.12Å; V1001-I1005 PolarHBondContact O-N 3.12Å |
| 1002 | K | 87.4 | Confident | 84.4 | Confident | 100 Ų | 100 | 67 Ų | 67 | 44% | 0.435 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -54.8 | -50.4 | 175 | -166 | -176.3 | 179.7 | 180 | 0 | 111.9 | Y977 C998 T1004 Y1006 C1007 | Y977-K1002 HydrophobicContact CD2-CB 4.37Å; Y977-K1002 HydrophobicContact CE2-CB 3.7Å; Y977-K1002 HydrophobicContact CE2-CD 4.37Å; Y977-K1002 HydrophobicContact CE2-CG 4.06Å; C998-K1002 PolarHBondContact O-N 2.74Å; K1002-T1004 PolarHBondContact O-N 3.42Å; K1002-Y1006 CarbonylContact O-C 3.55Å; K1002-Y1006 WeakPolarHBondContact O-CA 3.26Å; K1002-Y1006 PolarHBondContact O-N 3.23Å; K1002-C1007 PolarHBondContact O-N 3.24Å |
| 1003 | N | 84.7 | Confident | 84.7 | Confident | 115 Ų | 115 | 63 Ų | 63 | 62% | 0.615 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -69.7 | -11 | 179.2 | -64.6 | -9 | 0 | 0 | 0 | 113.6 | S999 K1000 V1001 C1007 K1087 | S999-N1003 VanDerWaalsContact O-CG 3.31Å; S999-N1003 PolarHBondContact O-N 3.14Å; S999-N1003 PolarHBondContact O-ND2 3.11Å; K1000-N1003 PolarHBondContact O-N 3.2Å; V1001-N1003 PolarHBondContact O-N 3.27Å; N1003-C1007 PolarHBondContact O-SG 3.44Å; N1003-K1087 PolarHBondContact O-NZ 3.32Å |
| 1004 | T | 81.5 | Confident | 85.2 | Confident | 50 Ų | 50 | 57 Ų | 57 | 31% | 0.307 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -99.4 | -41.5 | -179.2 | -56.1 | 0 | 0 | 0 | 0 | 112.5 | K1000 V1001 K1002 K1087 | K1000-T1004 WeakPolarHBondContact O-CB 3.32Å; K1000-T1004 PolarHBondContact O-N 2.96Å; K1000-T1004 VanDerWaalsContact O-N 3.08Å; K1000-T1004 PolarHBondContact O-OG1 3.41Å; V1001-T1004 PolarHBondContact O-N 3.3Å; K1002-T1004 PolarHBondContact O-N 3.42Å; T1004-K1087 WeakPolarHBondContact O-CE 3.31Å; T1004-K1087 PolarHBondContact O-NZ 3.41Å |
| 1005 | I | 85.1 | Confident | 85.5 | Confident | 17 Ų | 17 | 59.5 Ų | 59.5 | 9% | 0.087 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -50.4 | -175.7 | -56.3 | -179.1 | 0 | 0 | 0 | 111.1 | R970 L973 A974 V1001 C1007 Q1140 | R970-I1005 HydrophobicContact CB-CD1 4.27Å; R970-I1005 VanDerWaalsContact O-CD1 3.27Å; R970-I1005 WeakPolarHBondContact O-CD1 2.87Å; L973-I1005 HydrophobicContact CB-CD1 3.88Å; A974-I1005 HydrophobicContact CB-CD1 4.1Å; A974-I1005 HydrophobicContact CB-CG2 4.36Å; V1001-I1005 HydrophobicContact CG1-CD1 4.12Å; V1001-I1005 PolarHBondContact O-N 3.12Å; I1005-C1007 VanDerWaalsContact C-N 3.31Å; I1005-C1007 PolarHBondContact O-N 2.98Å; I1005-Q1140 HydrophobicContact CG2-CB 4.24Å |
| 1006 | Y | 85.2 | Confident | 85.7 | Confident | 48 Ų | 48 | 60.6 Ų | 60.6 | 19% | 0.188 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -95.1 | 44.7 | -176 | -62.6 | -61.7 | 0 | 0 | 0 | 112.7 | R932 A974 Y977 D978 K1002 Q1140 L1143 | R932-Y1006 PolarHBondContact NH2-OH 3.26Å; A974-Y1006 HydrophobicContact CB-CE2 4.34Å; Y977-Y1006 AromaticContact CD1-CD2 3.55Å; Y977-Y1006 HydrophobicContact CD1-CD2 3.55Å; Y977-Y1006 AromaticContact CD1-CE2 3.31Å; Y977-Y1006 HydrophobicContact CD1-CE2 3.31Å; Y977-Y1006 AromaticContact CE1-CD2 3.64Å; Y977-Y1006 HydrophobicContact CE1-CD2 3.64Å; Y977-Y1006 AromaticContact CE1-CE2 3.77Å; Y977-Y1006 HydrophobicContact CE1-CE2 3.77Å; Y977-Y1006 HydrophobicContact CG-CD2 4.11Å; Y977-Y1006 HydrophobicContact CG-CE2 4.01Å; D978-Y1006 PolarHBondContact OD1-OH 3.49Å; K1002-Y1006 CarbonylContact O-C 3.55Å; K1002-Y1006 WeakPolarHBondContact O-CA 3.26Å; K1002-Y1006 PolarHBondContact O-N 3.23Å; Y1006-Q1140 PolarHBondContact OH-NE2 3.08Å; Y1006-L1143 HydrophobicContact CD1-CD2 3.83Å; Y1006-L1143 HydrophobicContact CE1-CD2 4.09Å |
| 1007 | C | 84.9 | Confident | 86 | Confident | 35 Ų | 35 | 66.1 Ų | 66.1 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -109.4 | 129.7 | 169.9 | 61.3 | 0 | 0 | 0 | 0 | 109.2 | K1002 N1003 I1005 V1009 K1087 | K1002-C1007 PolarHBondContact O-N 3.24Å; N1003-C1007 PolarHBondContact O-SG 3.44Å; I1005-C1007 VanDerWaalsContact C-N 3.31Å; I1005-C1007 PolarHBondContact O-N 2.98Å; C1007-V1009 PolarHBondContact O-N 3.04Å; C1007-K1087 PolarHBondContact SG-NZ 3.31Å |
| 1008 | N | 82.7 | Confident | 86.5 | Confident | 118 Ų | 118 | 66.3 Ų | 66.3 | 63% | 0.631 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 125.7 | 177.2 | -60.2 | 51.5 | 0 | 0 | 0 | 110.5 | ||
| 1009 | V | 86.8 | Confident | 86.9 | Confident | 27 Ų | 27 | 67.7 Ų | 67.7 | 16% | 0.164 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -94.2 | 134.2 | 173.9 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | C1007 A1091 L1094 D1146 R1149 | C1007-V1009 PolarHBondContact O-N 3.04Å; V1009-A1091 HydrophobicContact CG1-CB 3.82Å; V1009-L1094 HydrophobicContact CB-CD2 4.14Å; V1009-L1094 HydrophobicContact CG1-CD2 4.13Å; V1009-L1094 WeakPolarHBondContact O-CD2 3.46Å; V1009-D1146 PolarHBondContact N-OD2 2.85Å; V1009-R1149 PolarHBondContact O-NH2 3.42Å |
| 1010 | E | 88.7 | Confident | 87 | Confident | 120 Ų | 120 | 67.4 Ų | 67.4 | 56% | 0.561 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -93.3 | 139.4 | 169.4 | -70 | -58.8 | 117.1 | 0 | 0 | 110 | R1149 | E1010-R1149 IonicContact OE1-CZ 3.13Å; E1010-R1149 IonicContact OE1-NH1 2.73Å; E1010-R1149 PolarHBondContact OE1-NH1 3.35Å; E1010-R1149 IonicContact OE1-NH2 2.77Å; E1010-R1149 PolarHBondContact OE1-NH2 3.48Å |
| 1011 | P | 90.8 | Very high | 87.4 | Confident | 23 Ų | 23 | 71.3 Ų | 71.3 | 15% | 0.149 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 135.8 | -175.7 | 26.6 | -33.9 | 0 | 0 | 0 | 111.8 | L1094 K1098 C1150 | P1011-L1094 HydrophobicContact CB-CD2 4.46Å; P1011-L1094 HydrophobicContact CB-CG 4.17Å; P1011-K1098 HydrophobicContact CB-CB 4.47Å; P1011-K1098 HydrophobicContact CB-CD 3.72Å; P1011-K1098 HydrophobicContact CG-CD 3.7Å; P1011-C1150 HydrophobicContact CG-CB 4.18Å |
| 1012 | S | 90.8 | Very high | 87.7 | Confident | 20 Ų | 20 | 73 Ų | 73 | 14% | 0.14 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 141.2 | 173.4 | -175.7 | 0 | 0 | 0 | 0 | 112 | S1014 A1091 E1092 G1095 | S1012-S1014 WeakPolarHBondContact OG-CB 3.45Å; S1012-S1014 PolarHBondContact OG-N 2.92Å; S1012-S1014 PolarHBondContact OG-OG 3.43Å; S1012-A1091 WeakPolarHBondContact CB-O 3.31Å; S1012-A1091 PolarHBondContact N-O 3.01Å; S1012-E1092 VanDerWaalsContact CB-OE2 3.31Å; S1012-E1092 WeakPolarHBondContact CB-OE2 3.47Å; S1012-E1092 PolarHBondContact OG-OE2 3.07Å; S1012-G1095 WeakPolarHBondContact O-CA 3.48Å |
| 1013 | E | 86.2 | Confident | 87.8 | Confident | 119 Ų | 119 | 69.4 Ų | 69.4 | 56% | 0.556 | 35% | 0.348 | S | S | * | . | trans | -110.1 | 27.7 | 171.9 | -60 | -174.4 | 160.3 | 0 | 0 | 110.9 | N1015 K1098 | E1013-N1015 PolarHBondContact O-N 3.44Å; E1013-K1098 IonicContact OE1-NZ 3.22Å; E1013-K1098 PolarHBondContact OE1-NZ 2.9Å | ||
| 1014 | S | 86.8 | Confident | 87.9 | Confident | 17 Ų | 17 | 66 Ų | 66 | 12% | 0.119 | 33% | 0.33 | C | S | . | . | trans | -50.4 | 130 | 178.1 | -81.7 | 0 | 0 | 0 | 0 | 112.5 | S1012 Y1052 E1092 F1111 | S1012-S1014 WeakPolarHBondContact OG-CB 3.45Å; S1012-S1014 PolarHBondContact OG-N 2.92Å; S1012-S1014 PolarHBondContact OG-OG 3.43Å; S1014-Y1052 VanDerWaalsContact O-CE2 3.24Å; S1014-Y1052 WeakPolarHBondContact O-CE2 3.28Å; S1014-E1092 WeakPolarHBondContact CB-OE2 3.5Å; S1014-E1092 PolarHBondContact OG-OE2 2.88Å; S1014-F1111 PolarHBondContact O-N 2.8Å | ||
| 1015 | N | 88.3 | Confident | 88.1 | Confident | 66 Ų | 66 | 69.7 Ų | 69.7 | 35% | 0.353 | 35% | 0.348 | S | S | . | . | trans | -138.3 | 65.5 | 167.3 | -80.4 | -64.6 | 0 | 0 | 0 | 107.5 | E1013 G1110 F1111 N1112 | E1013-N1015 PolarHBondContact O-N 3.44Å; N1015-G1110 WeakPolarHBondContact ND2-CA 3.25Å; N1015-F1111 PolarHBondContact OD1-N 2.83Å; N1015-N1112 PolarHBondContact ND2-ND2 3.45Å; N1015-N1112 WeakPolarHBondContact OD1-CB 3.43Å; N1015-N1112 PolarHBondContact OD1-N 3.32Å; N1015-N1112 PolarHBondContact OD1-ND2 2.94Å | ||
| 1016 | M | 89.6 | Confident | 88.2 | Confident | 81 Ų | 81 | 69.4 Ų | 69.4 | 40% | 0.399 | 35% | 0.347 | S | S | . | . | trans | -84.4 | 176.4 | 179.3 | -60.2 | -65.5 | 99.3 | 0 | 0 | 110.1 | W1018 A1049 Y1052 | M1016-W1018 PolarHBondContact O-N 3.05Å; M1016-A1049 HydrophobicContact CB-CB 4.22Å; M1016-Y1052 HydrophobicContact CB-CD1 3.72Å; M1016-Y1052 HydrophobicContact CB-CE1 4.39Å; M1016-Y1052 HydrophobicContact CB-CG 3.78Å; M1016-Y1052 HydrophobicContact CG-CG 4.32Å; M1016-Y1052 WeakPolarHBondContact O-CE1 3.46Å | ||
| 1017 | R | 86.7 | Confident | 88.3 | Confident | 226 Ų | 226 | 67.1 Ų | 67.1 | 85% | 0.853 | 34% | 0.338 | S | S | * | . | trans | -72.2 | 114.1 | 172.3 | -177.2 | -179.9 | 179 | -171.5 | -0.8 | 109.7 | ||||
| 1018 | W | 91.6 | Very high | 88.4 | Confident | 53 Ų | 53 | 71.1 Ų | 71.1 | 20% | 0.201 | 35% | 0.353 | C | S | . | . | trans | -63.9 | 138.3 | 173.3 | -176 | 32 | 0 | 0 | 0 | 112.1 | M1016 P1020 Y1052 C1056 N1057 M1060 D1113 | M1016-W1018 PolarHBondContact O-N 3.05Å; W1018-P1020 HydrophobicContact CD2-CG 4.08Å; W1018-P1020 HydrophobicContact CE3-CG 4.3Å; W1018-P1020 HydrophobicContact CH2-CG 4.24Å; W1018-P1020 HydrophobicContact CZ2-CB 4.21Å; W1018-P1020 HydrophobicContact CZ2-CG 4Å; W1018-P1020 HydrophobicContact CZ3-CG 4.38Å; W1018-Y1052 HydrophobicContact CB-CE1 4.1Å; W1018-C1056 HydrophobicContact CG-CB 4.44Å; W1018-N1057 PolarHBondContact NE1-OD1 3.28Å; W1018-M1060 HydrophobicContact CH2-CG 4.48Å; W1018-M1060 HydrophobicContact CZ2-CG 4.18Å; W1018-D1113 HydrophobicContact CB-CB 4.05Å; W1018-D1113 HydrophobicContact CD2-CB 4.25Å; W1018-D1113 HydrophobicContact CE3-CB 3.94Å; W1018-D1113 HydrophobicContact CG-CB 4.33Å | ||
| 1019 | A | 93.4 | Very high | 88.4 | Confident | 42 Ų | 42 | 69.2 Ų | 69.2 | 35% | 0.347 | 34% | 0.343 | S | S | . | . | trans | -124.4 | 98.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | E1021 F1022 S1053 N1057 | A1019-E1021 VanDerWaalsContact C-N 3.32Å; A1019-E1021 PolarHBondContact O-N 3.17Å; A1019-F1022 HydrophobicContact CB-CB 4.12Å; A1019-F1022 VanDerWaalsContact O-CB 3.29Å; A1019-F1022 WeakPolarHBondContact O-CB 3.32Å; A1019-F1022 PolarHBondContact O-N 2.86Å; A1019-F1022 VanDerWaalsContact O-N 3.08Å; A1019-S1053 PolarHBondContact N-OG 2.82Å; A1019-N1057 PolarHBondContact O-ND2 2.86Å | ||
| 1020 | P | 87.7 | Confident | 88.1 | Confident | 60 Ų | 60 | 68.5 Ų | 68.5 | 39% | 0.39 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -37.7 | -175.2 | -28.7 | 36 | 0 | 0 | 0 | 114.8 | W1018 F1022 N1057 | W1018-P1020 HydrophobicContact CD2-CG 4.08Å; W1018-P1020 HydrophobicContact CE3-CG 4.3Å; W1018-P1020 HydrophobicContact CH2-CG 4.24Å; W1018-P1020 HydrophobicContact CZ2-CB 4.21Å; W1018-P1020 HydrophobicContact CZ2-CG 4Å; W1018-P1020 HydrophobicContact CZ3-CG 4.38Å; P1020-F1022 PolarHBondContact O-N 2.92Å; P1020-N1057 PolarHBondContact O-ND2 3.05Å; P1020-N1057 PolarHBondContact O-OD1 3.45Å |
| 1021 | E | 91 | Very high | 87.4 | Confident | 153 Ų | 153 | 64.5 Ų | 64.5 | 72% | 0.715 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -8.2 | 179.8 | -49.8 | -60.2 | 154.4 | 0 | 0 | 113.9 | A1019 M1023 I1024 | A1019-E1021 VanDerWaalsContact C-N 3.32Å; A1019-E1021 PolarHBondContact O-N 3.17Å; E1021-M1023 PolarHBondContact O-N 2.69Å; E1021-M1023 VanDerWaalsContact O-N 3.16Å; E1021-I1024 PolarHBondContact O-N 2.81Å |
| 1022 | F | 91.7 | Very high | 86.3 | Confident | 44 Ų | 44 | 63.9 Ų | 63.9 | 19% | 0.193 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 114.2 | -170.6 | -175.4 | -99.7 | 0 | 0 | 0 | 112.3 | A1019 P1020 I1024 L1044 N1050 F1054 N1057 | A1019-F1022 HydrophobicContact CB-CB 4.12Å; A1019-F1022 VanDerWaalsContact O-CB 3.29Å; A1019-F1022 WeakPolarHBondContact O-CB 3.32Å; A1019-F1022 PolarHBondContact O-N 2.86Å; A1019-F1022 VanDerWaalsContact O-N 3.08Å; P1020-F1022 PolarHBondContact O-N 2.92Å; F1022-I1024 PolarHBondContact O-N 3.25Å; F1022-L1044 HydrophobicContact CE1-CD2 4.02Å; F1022-N1050 HydrophobicContact CE1-CB 3.83Å; F1022-N1050 WeakPolarHBondContact CE1-O 3.35Å; F1022-N1050 HydrophobicContact CE2-CB 4.18Å; F1022-N1050 HydrophobicContact CZ-CB 3.53Å; F1022-N1050 VanDerWaalsContact CZ-CG 3.5Å; F1022-F1054 HydrophobicContact CD1-CB 4.15Å; F1022-F1054 HydrophobicContact CE1-CB 4.09Å; F1022-N1057 PolarHBondContact O-ND2 3.1Å |
| 1023 | M | 89.1 | Confident | 85 | Confident | 23 Ų | 23 | 70.7 Ų | 70.7 | 11% | 0.113 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 24.7 | -175.9 | -63.2 | -180 | 54.7 | 0 | 0 | 114.3 | E1021 D1025 T1026 L1027 L1040 L1044 F1054 L1082 | E1021-M1023 PolarHBondContact O-N 2.69Å; E1021-M1023 VanDerWaalsContact O-N 3.16Å; M1023-D1025 PolarHBondContact O-N 2.89Å; M1023-T1026 HydrophobicContact CE-CG2 4.24Å; M1023-T1026 VanDerWaalsContact O-CB 3.32Å; M1023-T1026 WeakPolarHBondContact O-CB 3.28Å; M1023-T1026 PolarHBondContact O-N 2.94Å; M1023-T1026 VanDerWaalsContact O-N 3.1Å; M1023-L1027 PolarHBondContact O-N 3.26Å; M1023-L1040 HydrophobicContact CE-CB 4.28Å; M1023-L1040 HydrophobicContact CE-CD1 3.92Å; M1023-L1040 HydrophobicContact CE-CD2 3.99Å; M1023-L1040 HydrophobicContact CE-CG 4.29Å; M1023-L1040 HydrophobicContact SD-CD2 4.27Å; M1023-L1044 HydrophobicContact SD-CD1 4.33Å; M1023-L1044 HydrophobicContact SD-CD2 4.42Å; M1023-F1054 HydrophobicContact CB-CD2 4.45Å; M1023-F1054 HydrophobicContact CE-CD2 4.11Å; M1023-F1054 HydrophobicContact CE-CE2 4.1Å; M1023-F1054 HydrophobicContact SD-CD2 4.15Å; M1023-L1082 HydrophobicContact CE-CD1 3.82Å |
| 1024 | I | 87.2 | Confident | 83.7 | Confident | 44 Ų | 44 | 70.9 Ų | 70.9 | 23% | 0.226 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.8 | -40.6 | -177.3 | -161.1 | 161.4 | 0 | 0 | 0 | 112 | E1021 F1022 T1026 L1027 E1028 | E1021-I1024 PolarHBondContact O-N 2.81Å; F1022-I1024 PolarHBondContact O-N 3.25Å; I1024-T1026 PolarHBondContact O-N 3.46Å; I1024-T1026 VanDerWaalsContact O-N 3.09Å; I1024-L1027 CarbonylContact O-C 3.21Å; I1024-L1027 WeakPolarHBondContact O-CA 3.18Å; I1024-L1027 PolarHBondContact O-N 3.13Å; I1024-E1028 HydrophobicContact CG1-CG 4.28Å; I1024-E1028 WeakPolarHBondContact O-CG 3.48Å; I1024-E1028 PolarHBondContact O-N 3.32Å |
| 1025 | D | 85.8 | Confident | 82.8 | Confident | 128 Ų | 128 | 72.3 Ų | 72.3 | 68% | 0.684 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -50.1 | -37.8 | 172 | -53.5 | -22.1 | 0 | 0 | 0 | 112.9 | M1023 N1029 | M1023-D1025 PolarHBondContact O-N 2.89Å; D1025-N1029 PolarHBondContact O-N 3.13Å |
| 1026 | T | 86.4 | Confident | 82.2 | Confident | 10 Ų | 10 | 74.2 Ų | 74.2 | 6% | 0.061 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -74.6 | -28.3 | 180 | -40.3 | 0 | 0 | 0 | 0 | 112 | M1023 I1024 P1030 F1035 L1040 L1078 | M1023-T1026 HydrophobicContact CE-CG2 4.24Å; M1023-T1026 VanDerWaalsContact O-CB 3.32Å; M1023-T1026 WeakPolarHBondContact O-CB 3.28Å; M1023-T1026 PolarHBondContact O-N 2.94Å; M1023-T1026 VanDerWaalsContact O-N 3.1Å; I1024-T1026 PolarHBondContact O-N 3.46Å; I1024-T1026 VanDerWaalsContact O-N 3.09Å; T1026-P1030 VanDerWaalsContact O-CA 3.26Å; T1026-P1030 WeakPolarHBondContact O-CA 3.13Å; T1026-F1035 HydrophobicContact CG2-CD2 4Å; T1026-F1035 HydrophobicContact CG2-CE1 4.25Å; T1026-F1035 HydrophobicContact CG2-CE2 3.6Å; T1026-F1035 HydrophobicContact CG2-CG 4.49Å; T1026-F1035 HydrophobicContact CG2-CZ 3.73Å; T1026-L1040 HydrophobicContact CG2-CD1 4.38Å; T1026-L1078 HydrophobicContact CG2-CD1 4.06Å; T1026-L1078 HydrophobicContact CG2-CD2 3.93Å; T1026-L1078 VanDerWaalsContact O-CD2 3.3Å; T1026-L1078 WeakPolarHBondContact O-CD2 3.5Å |
| 1027 | L | 88.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -91.9 | -15.9 | 177.4 | -64.9 | 167.4 | 0 | 0 | 0 | 112.8 | M1023 I1024 F1054 N1057 A1058 R1071 I1075 L1078 | M1023-L1027 PolarHBondContact O-N 3.26Å; I1024-L1027 CarbonylContact O-C 3.21Å; I1024-L1027 WeakPolarHBondContact O-CA 3.18Å; I1024-L1027 PolarHBondContact O-N 3.13Å; L1027-F1054 HydrophobicContact CD2-CE2 4.17Å; L1027-N1057 HydrophobicContact CD1-CB 3.62Å; L1027-A1058 HydrophobicContact CD1-CB 4.38Å; L1027-A1058 HydrophobicContact CD2-CB 4.01Å; L1027-R1071 PolarHBondContact O-NH2 3Å; L1027-I1075 HydrophobicContact CD2-CG2 4.23Å; L1027-L1078 HydrophobicContact CD2-CD2 4.02Å |
| 1028 | E | 86.2 | Confident | 81.2 | Confident | 119 Ų | 119 | 65.3 Ų | 65.3 | 56% | 0.556 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -78.4 | -38.9 | 168.5 | -66 | -138 | 125.1 | 0 | 0 | 112.6 | I1024 | I1024-E1028 HydrophobicContact CG1-CG 4.28Å; I1024-E1028 WeakPolarHBondContact O-CG 3.48Å; I1024-E1028 PolarHBondContact O-N 3.32Å |
| 1029 | N | 84.1 | Confident | 80.8 | Confident | 78 Ų | 78 | 65 Ų | 65 | 42% | 0.417 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -129.2 | 67.2 | 177 | -163.9 | -7.5 | 0 | 0 | 0 | 112.3 | D1025 A1031 A1032 | D1025-N1029 PolarHBondContact O-N 3.13Å; N1029-A1031 PolarHBondContact O-N 2.97Å; N1029-A1032 HydrophobicContact CB-CB 4.29Å; N1029-A1032 PolarHBondContact O-N 3.44Å; N1029-A1032 VanDerWaalsContact O-N 3.13Å; N1029-A1032 PolarHBondContact OD1-N 2.77Å |
| 1030 | P | 80.9 | Confident | 80.4 | Confident | 12 Ų | 12 | 64.7 Ų | 64.7 | 8% | 0.078 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21.8 | -175.8 | 27.8 | -37.6 | 0 | 0 | 0 | 113.9 | T1026 D1074 I1075 L1078 | T1026-P1030 VanDerWaalsContact O-CA 3.26Å; T1026-P1030 WeakPolarHBondContact O-CA 3.13Å; P1030-D1074 HydrophobicContact CB-CB 4.15Å; P1030-D1074 HydrophobicContact CG-CB 3.71Å; P1030-I1075 HydrophobicContact CB-CG1 4.36Å; P1030-I1075 HydrophobicContact CG-CG1 4.05Å; P1030-L1078 HydrophobicContact CB-CB 4.29Å; P1030-L1078 HydrophobicContact CB-CD2 3.8Å |
| 1031 | A | 72.9 | Confident | 80.3 | Confident | 37 Ų | 37 | 61.9 Ų | 61.9 | 31% | 0.306 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -18.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | N1029 H1033 | N1029-A1031 PolarHBondContact O-N 2.97Å; A1031-H1033 PolarHBondContact O-CE1 2.83Å; A1031-H1033 VanDerWaalsContact O-CE1 3.27Å; A1031-H1033 PolarHBondContact O-N 2.88Å; A1031-H1033 PolarHBondContact O-ND1 3.29Å |
| 1032 | A | 68.1 | Low | 80 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | trans | -71.1 | 114.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1029 T1034 F1035 | N1029-A1032 HydrophobicContact CB-CB 4.29Å; N1029-A1032 PolarHBondContact O-N 3.44Å; N1029-A1032 VanDerWaalsContact O-N 3.13Å; N1029-A1032 PolarHBondContact OD1-N 2.77Å; A1032-T1034 PolarHBondContact O-N 2.7Å; A1032-F1035 HydrophobicContact CB-CZ 4.29Å; A1032-F1035 WeakPolarHBondContact O-CE2 3.07Å; A1032-F1035 WeakPolarHBondContact O-CZ 3.44Å | ||
| 1033 | H | 62.7 | Low | 79.8 | Confident | 164 Ų | 164 | 59.1 Ų | 59.1 | 76% | 0.759 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | 29.7 | -178.9 | -58.3 | -6.6 | 0 | 0 | 0 | 113.9 | A1031 | A1031-H1033 PolarHBondContact O-CE1 2.83Å; A1031-H1033 VanDerWaalsContact O-CE1 3.27Å; A1031-H1033 PolarHBondContact O-N 2.88Å; A1031-H1033 PolarHBondContact O-ND1 3.29Å |
| 1034 | T | 60.3 | Low | 79.9 | Confident | 122 Ų | 122 | 58 Ų | 58 | 75% | 0.748 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -4.2 | -173.3 | 38.4 | 0 | 0 | 0 | 0 | 114.7 | A1032 | A1032-T1034 PolarHBondContact O-N 2.7Š|
| 1035 | F | 67.6 | Low | 79.9 | Confident | 48 Ų | 48 | 58.3 Ų | 58.3 | 21% | 0.211 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -127.3 | 139.3 | -176.4 | 20.7 | -102.6 | 0 | 0 | 0 | 113.1 | T1026 A1032 Y1037 L1040 | T1026-F1035 HydrophobicContact CG2-CD2 4Å; T1026-F1035 HydrophobicContact CG2-CE1 4.25Å; T1026-F1035 HydrophobicContact CG2-CE2 3.6Å; T1026-F1035 HydrophobicContact CG2-CG 4.49Å; T1026-F1035 HydrophobicContact CG2-CZ 3.73Å; A1032-F1035 HydrophobicContact CB-CZ 4.29Å; A1032-F1035 WeakPolarHBondContact O-CE2 3.07Å; A1032-F1035 WeakPolarHBondContact O-CZ 3.44Å; F1035-Y1037 PolarHBondContact O-N 3.17Å; F1035-L1040 HydrophobicContact CB-CD1 4.1Å; F1035-L1040 HydrophobicContact CD2-CD1 4.34Å; F1035-L1040 HydrophobicContact CG-CD1 4.41Å |
| 1036 | T | 75.5 | Confident | 80 | Confident | 106 Ų | 106 | 59.7 Ų | 59.7 | 65% | 0.65 | 33% | 0.331 | S | S | * | . | trans | -83.8 | 108.5 | -176.6 | -35.2 | 0 | 0 | 0 | 0 | 111.4 | T1038 G1039 L1040 | T1036-T1038 WeakPolarHBondContact CG2-OG1 3.4Å; T1036-T1038 PolarHBondContact O-N 3.49Å; T1036-T1038 VanDerWaalsContact O-N 3.11Å; T1036-G1039 PolarHBondContact O-N 3.1Å; T1036-L1040 PolarHBondContact O-N 3.26Å | ||
| 1037 | Y | 77.8 | Confident | 80.2 | Confident | 61 Ų | 61 | 62.2 Ų | 62.2 | 24% | 0.239 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -52.1 | -35.9 | -177.3 | -63.2 | -73 | 0 | 0 | 0 | 114.5 | F1035 G1039 L1040 G1041 L1078 E1081 L1082 Y1085 | F1035-Y1037 PolarHBondContact O-N 3.17Å; Y1037-G1039 VanDerWaalsContact C-N 3.3Å; Y1037-G1039 PolarHBondContact O-N 2.99Å; Y1037-L1040 PolarHBondContact O-N 3.3Å; Y1037-G1041 PolarHBondContact O-N 3.23Å; Y1037-L1078 HydrophobicContact CD1-CD1 4.48Å; Y1037-L1078 HydrophobicContact CE1-CD1 3.84Å; Y1037-E1081 HydrophobicContact CD1-CB 4.13Å; Y1037-E1081 HydrophobicContact CE1-CB 4.21Å; Y1037-L1082 HydrophobicContact CD1-CD2 4.28Å; Y1037-Y1085 VanDerWaalsContact CB-CE2 3.43Å; Y1037-Y1085 HydrophobicContact CG-CE2 4.35Å |
| 1038 | T | 78.1 | Confident | 80.4 | Confident | 59 Ų | 59 | 65 Ų | 65 | 36% | 0.362 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.1 | -30.6 | 177.9 | 51.2 | 0 | 0 | 0 | 0 | 113.6 | T1036 K1042 Y1085 | T1036-T1038 WeakPolarHBondContact CG2-OG1 3.4Å; T1036-T1038 PolarHBondContact O-N 3.49Å; T1036-T1038 VanDerWaalsContact O-N 3.11Å; T1038-K1042 WeakPolarHBondContact O-CG 3.47Å; T1038-K1042 PolarHBondContact O-N 2.76Å; T1038-Y1085 HydrophobicContact CG2-CD1 3.86Å; T1038-Y1085 HydrophobicContact CG2-CE1 3.48Å; T1038-Y1085 VanDerWaalsContact CG2-CE1 3.48Å |
| 1039 | G | 81.9 | Confident | 80.7 | Confident | 46 Ų | 46 | 60.8 Ų | 60.8 | 47% | 0.474 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -75.8 | -45.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | T1036 Y1037 K1042 S1043 | T1036-G1039 PolarHBondContact O-N 3.1Å; Y1037-G1039 VanDerWaalsContact C-N 3.3Å; Y1037-G1039 PolarHBondContact O-N 2.99Å; G1039-K1042 PolarHBondContact O-N 3.04Å; G1039-S1043 PolarHBondContact O-N 3.03Å; G1039-S1043 VanDerWaalsContact O-N 3.13Å |
| 1040 | L | 85.9 | Confident | 81.2 | Confident | 36 Ų | 36 | 58.6 Ų | 58.6 | 19% | 0.188 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 175.8 | -65 | 176 | 0 | 0 | 0 | 111.5 | M1023 T1026 F1035 T1036 Y1037 K1042 S1043 L1044 L1082 | M1023-L1040 HydrophobicContact CE-CB 4.28Å; M1023-L1040 HydrophobicContact CE-CD1 3.92Å; M1023-L1040 HydrophobicContact CE-CD2 3.99Å; M1023-L1040 HydrophobicContact CE-CG 4.29Å; M1023-L1040 HydrophobicContact SD-CD2 4.27Å; T1026-L1040 HydrophobicContact CG2-CD1 4.38Å; F1035-L1040 HydrophobicContact CB-CD1 4.1Å; F1035-L1040 HydrophobicContact CD2-CD1 4.34Å; F1035-L1040 HydrophobicContact CG-CD1 4.41Å; T1036-L1040 PolarHBondContact O-N 3.26Å; Y1037-L1040 PolarHBondContact O-N 3.3Å; L1040-K1042 VanDerWaalsContact C-N 3.27Å; L1040-K1042 PolarHBondContact O-N 3.04Å; L1040-S1043 WeakPolarHBondContact O-CB 3.37Å; L1040-S1043 PolarHBondContact O-N 3.01Å; L1040-L1044 WeakPolarHBondContact O-CG 3.33Å; L1040-L1044 PolarHBondContact O-N 2.68Å; L1040-L1082 HydrophobicContact CB-CD2 3.59Å; L1040-L1082 HydrophobicContact CD1-CD2 4.35Å |
| 1041 | G | 84.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.7 | -35.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y1037 L1044 S1045 | Y1037-G1041 PolarHBondContact O-N 3.23Å; G1041-L1044 PolarHBondContact O-N 3.14Å; G1041-S1045 WeakPolarHBondContact O-CB 3.49Å; G1041-S1045 PolarHBondContact O-N 3.01Å; G1041-S1045 PolarHBondContact O-OG 3.28Å |
| 1042 | K | 84.4 | Confident | 82.8 | Confident | 90 Ų | 90 | 57.5 Ų | 57.5 | 39% | 0.391 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -73.4 | -42.4 | 175.1 | -74.6 | 177.7 | 179.3 | 177.4 | 0 | 113 | D964 T1038 G1039 L1040 L1044 S1045 E1046 | D964-K1042 WeakPolarHBondContact OD2-CE 3.46Å; D964-K1042 IonicContact OD2-NZ 2.63Å; D964-K1042 PolarHBondContact OD2-NZ 2.74Å; T1038-K1042 WeakPolarHBondContact O-CG 3.47Å; T1038-K1042 PolarHBondContact O-N 2.76Å; G1039-K1042 PolarHBondContact O-N 3.04Å; L1040-K1042 VanDerWaalsContact C-N 3.27Å; L1040-K1042 PolarHBondContact O-N 3.04Å; K1042-L1044 PolarHBondContact O-N 3.05Å; K1042-S1045 PolarHBondContact O-N 3.32Å; K1042-S1045 VanDerWaalsContact O-N 3.15Å; K1042-S1045 PolarHBondContact O-OG 2.93Å; K1042-E1046 WeakPolarHBondContact O-CB 3.15Å; K1042-E1046 WeakPolarHBondContact O-CG 3.42Å; K1042-E1046 PolarHBondContact O-N 3.45Å |
| 1043 | S | 88.2 | Confident | 84.1 | Confident | 49 Ų | 49 | 57.2 Ų | 57.2 | 34% | 0.343 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.9 | -30.9 | 171.3 | -174.9 | 0 | 0 | 0 | 0 | 112.9 | G1039 L1040 N1050 | G1039-S1043 PolarHBondContact O-N 3.03Å; G1039-S1043 VanDerWaalsContact O-N 3.13Å; L1040-S1043 WeakPolarHBondContact O-CB 3.37Å; L1040-S1043 PolarHBondContact O-N 3.01Å; S1043-N1050 PolarHBondContact O-ND2 2.8Å; S1043-N1050 PolarHBondContact OG-ND2 3.26Å |
| 1044 | L | 91.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -82.8 | -38.7 | 174.9 | -68.3 | 164.4 | 0 | 0 | 0 | 112.8 | F1022 M1023 L1040 G1041 K1042 N1050 R1051 F1054 L1082 C1086 L1089 | F1022-L1044 HydrophobicContact CE1-CD2 4.02Å; M1023-L1044 HydrophobicContact SD-CD1 4.33Å; M1023-L1044 HydrophobicContact SD-CD2 4.42Å; L1040-L1044 WeakPolarHBondContact O-CG 3.33Å; L1040-L1044 PolarHBondContact O-N 2.68Å; G1041-L1044 PolarHBondContact O-N 3.14Å; K1042-L1044 PolarHBondContact O-N 3.05Å; L1044-N1050 HydrophobicContact CD2-CB 4.3Å; L1044-R1051 HydrophobicContact CB-CG 4.2Å; L1044-R1051 HydrophobicContact CD2-CG 4.33Å; L1044-R1051 VanDerWaalsContact O-CD 3.25Å; L1044-R1051 WeakPolarHBondContact O-CD 3.44Å; L1044-R1051 WeakPolarHBondContact O-CG 3.48Å; L1044-R1051 PolarHBondContact O-NH1 3.21Å; L1044-F1054 HydrophobicContact CD1-CD1 4.35Å; L1044-F1054 HydrophobicContact CD2-CB 3.76Å; L1044-F1054 HydrophobicContact CD2-CD1 4.22Å; L1044-F1054 HydrophobicContact CD2-CG 4.05Å; L1044-L1082 HydrophobicContact CD1-CB 4.26Å; L1044-L1082 HydrophobicContact CD1-CD1 4.28Å; L1044-L1082 HydrophobicContact CD1-CD2 4.2Å; L1044-L1082 HydrophobicContact CD1-CG 4.49Å; L1044-C1086 HydrophobicContact CB-CB 4.23Å; L1044-L1089 HydrophobicContact CD1-CD1 4.33Å |
| 1045 | S | 86.6 | Confident | 87.4 | Confident | 50 Ų | 50 | 43.6 Ų | 43.6 | 35% | 0.35 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -70.3 | -38 | -179.5 | 69 | 0 | 0 | 0 | 0 | 112.3 | G1041 K1042 R1051 C1086 | G1041-S1045 WeakPolarHBondContact O-CB 3.49Å; G1041-S1045 PolarHBondContact O-N 3.01Å; G1041-S1045 PolarHBondContact O-OG 3.28Å; K1042-S1045 PolarHBondContact O-N 3.32Å; K1042-S1045 VanDerWaalsContact O-N 3.15Å; K1042-S1045 PolarHBondContact O-OG 2.93Å; S1045-R1051 PolarHBondContact O-NH1 3.02Å; S1045-C1086 WeakPolarHBondContact CA-SG 3.49Å; S1045-C1086 PolarHBondContact N-SG 3.07Å; S1045-C1086 VanDerWaalsContact N-SG 3.43Å |
| 1046 | E | 88.1 | Confident | 88.6 | Confident | 158 Ų | 158 | 41.3 Ų | 41.3 | 74% | 0.738 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -73.8 | -28.8 | -177.9 | -68.4 | 175.3 | -168.9 | 0 | 0 | 114 | K1042 | K1042-E1046 WeakPolarHBondContact O-CB 3.15Å; K1042-E1046 WeakPolarHBondContact O-CG 3.42Å; K1042-E1046 PolarHBondContact O-N 3.45Å |
| 1047 | N | 90.9 | Very high | 89.5 | Confident | 63 Ų | 63 | 36.6 Ų | 36.6 | 34% | 0.337 | 21% | 0.209 | S | C | . | . | trans | -126.3 | 112.3 | -173.5 | -175.8 | -3.4 | 0 | 0 | 0 | 113.8 | A1049 N1050 R1051 | N1047-A1049 VanDerWaalsContact C-N 3.34Å; N1047-A1049 PolarHBondContact O-N 3.38Å; N1047-A1049 PolarHBondContact OD1-N 3.2Å; N1047-N1050 HydrophobicContact CB-CB 4.02Å; N1047-N1050 VanDerWaalsContact ND2-CG 3.27Å; N1047-N1050 PolarHBondContact ND2-ND2 3.32Å; N1047-N1050 PolarHBondContact ND2-OD1 3.34Å; N1047-N1050 WeakPolarHBondContact O-CB 3.23Å; N1047-N1050 PolarHBondContact O-N 2.84Å; N1047-R1051 PolarHBondContact O-N 3.06Å | ||
| 1048 | P | 91.2 | Very high | 90.3 | Very high | 58 Ų | 58 | 33.7 Ų | 33.7 | 38% | 0.377 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.9 | -35 | 175.6 | -24.9 | 34.7 | 0 | 0 | 0 | 115.4 | N1050 R1051 Y1052 | P1048-N1050 VanDerWaalsContact C-N 3.32Å; P1048-N1050 PolarHBondContact O-N 2.72Å; P1048-R1051 PolarHBondContact O-N 3.47Å; P1048-Y1052 PolarHBondContact O-N 3.24Å |
| 1049 | A | 93.2 | Very high | 91 | Very high | 31 Ų | 31 | 30.9 Ų | 30.9 | 26% | 0.256 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -70.9 | -29.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1016 N1047 S1053 | M1016-A1049 HydrophobicContact CB-CB 4.22Å; N1047-A1049 VanDerWaalsContact C-N 3.34Å; N1047-A1049 PolarHBondContact O-N 3.38Å; N1047-A1049 PolarHBondContact OD1-N 3.2Å; A1049-S1053 WeakPolarHBondContact O-CB 3.35Å; A1049-S1053 PolarHBondContact O-N 3.36Å; A1049-S1053 PolarHBondContact O-OG 3.41Å |
| 1050 | N | 94.1 | Very high | 91.5 | Very high | 31 Ų | 31 | 30.6 Ų | 30.6 | 17% | 0.166 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.4 | -44.9 | 171.6 | -72.7 | 1.7 | 0 | 0 | 0 | 110.5 | F1022 S1043 L1044 N1047 P1048 S1053 F1054 | F1022-N1050 HydrophobicContact CE1-CB 3.83Å; F1022-N1050 WeakPolarHBondContact CE1-O 3.35Å; F1022-N1050 HydrophobicContact CE2-CB 4.18Å; F1022-N1050 HydrophobicContact CZ-CB 3.53Å; F1022-N1050 VanDerWaalsContact CZ-CG 3.5Å; S1043-N1050 PolarHBondContact O-ND2 2.8Å; S1043-N1050 PolarHBondContact OG-ND2 3.26Å; L1044-N1050 HydrophobicContact CD2-CB 4.3Å; N1047-N1050 HydrophobicContact CB-CB 4.02Å; N1047-N1050 VanDerWaalsContact ND2-CG 3.27Å; N1047-N1050 PolarHBondContact ND2-ND2 3.32Å; N1047-N1050 PolarHBondContact ND2-OD1 3.34Å; N1047-N1050 WeakPolarHBondContact O-CB 3.23Å; N1047-N1050 PolarHBondContact O-N 2.84Å; P1048-N1050 VanDerWaalsContact C-N 3.32Å; P1048-N1050 PolarHBondContact O-N 2.72Å; N1050-S1053 PolarHBondContact O-N 3.15Å; N1050-F1054 VanDerWaalsContact O-CB 3.32Å; N1050-F1054 WeakPolarHBondContact O-CB 3.33Å; N1050-F1054 PolarHBondContact O-N 2.92Å |
| 1051 | R | 94.1 | Very high | 91.7 | Very high | 26 Ų | 26 | 30.5 Ų | 30.5 | 10% | 0.098 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.2 | -49.2 | 176.2 | -62.8 | -164.6 | -58.6 | -85.9 | 0.1 | 112.3 | L1044 S1045 N1047 P1048 S1053 F1054 V1055 L1089 E1092 | L1044-R1051 HydrophobicContact CB-CG 4.2Å; L1044-R1051 HydrophobicContact CD2-CG 4.33Å; L1044-R1051 VanDerWaalsContact O-CD 3.25Å; L1044-R1051 WeakPolarHBondContact O-CD 3.44Å; L1044-R1051 WeakPolarHBondContact O-CG 3.48Å; L1044-R1051 PolarHBondContact O-NH1 3.21Å; S1045-R1051 PolarHBondContact O-NH1 3.02Å; N1047-R1051 PolarHBondContact O-N 3.06Å; P1048-R1051 PolarHBondContact O-N 3.47Å; R1051-S1053 VanDerWaalsContact C-N 3.3Å; R1051-S1053 PolarHBondContact O-N 3.43Å; R1051-F1054 PolarHBondContact O-N 3.42Å; R1051-V1055 WeakPolarHBondContact O-CB 3.42Å; R1051-V1055 VanDerWaalsContact O-CG2 3.31Å; R1051-V1055 WeakPolarHBondContact O-CG2 3.36Å; R1051-V1055 PolarHBondContact O-N 3.2Å; R1051-L1089 HydrophobicContact CB-CD2 3.86Å; R1051-L1089 HydrophobicContact CG-CD2 3.89Å; R1051-E1092 HydrophobicContact CB-CG 4.16Å; R1051-E1092 IonicContact CZ-OE1 3.71Å; R1051-E1092 VanDerWaalsContact CZ-OE1 3.28Å; R1051-E1092 IonicContact NE-OE1 2.81Å; R1051-E1092 PolarHBondContact NE-OE1 2.84Å; R1051-E1092 IonicContact NH2-OE1 4Å; R1051-E1092 PolarHBondContact NH2-OE1 3.17Å |
| 1052 | Y | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.7 | -46.9 | 177.9 | -179.6 | -102.7 | 0 | 0 | 0 | 111.5 | S1014 M1016 W1018 P1048 V1055 C1056 F1111 D1113 | S1014-Y1052 VanDerWaalsContact O-CE2 3.24Å; S1014-Y1052 WeakPolarHBondContact O-CE2 3.28Å; M1016-Y1052 HydrophobicContact CB-CD1 3.72Å; M1016-Y1052 HydrophobicContact CB-CE1 4.39Å; M1016-Y1052 HydrophobicContact CB-CG 3.78Å; M1016-Y1052 HydrophobicContact CG-CG 4.32Å; M1016-Y1052 WeakPolarHBondContact O-CE1 3.46Å; W1018-Y1052 HydrophobicContact CB-CE1 4.1Å; P1048-Y1052 PolarHBondContact O-N 3.24Å; Y1052-V1055 PolarHBondContact O-N 3.36Å; Y1052-C1056 PolarHBondContact O-N 3.49Å; Y1052-C1056 PolarHBondContact O-SG 3.21Å; Y1052-F1111 AromaticContact CD2-CD1 3.69Å; Y1052-F1111 HydrophobicContact CD2-CD1 3.69Å; Y1052-F1111 AromaticContact CD2-CE1 3.52Å; Y1052-F1111 HydrophobicContact CD2-CE1 3.52Å; Y1052-F1111 HydrophobicContact CD2-CZ 4.24Å; Y1052-F1111 HydrophobicContact CE2-CB 4.4Å; Y1052-F1111 AromaticContact CE2-CD1 3.44Å; Y1052-F1111 HydrophobicContact CE2-CD1 3.44Å; Y1052-F1111 VanDerWaalsContact CE2-CD1 3.44Å; Y1052-F1111 AromaticContact CE2-CE1 3.78Å; Y1052-F1111 HydrophobicContact CE2-CE1 3.78Å; Y1052-F1111 AromaticContact CE2-CG 3.99Å; Y1052-F1111 HydrophobicContact CE2-CG 3.99Å; Y1052-D1113 VanDerWaalsContact CE1-OD2 3.32Å; Y1052-D1113 WeakPolarHBondContact CE1-OD2 3.35Å; Y1052-D1113 PolarHBondContact OH-OD2 3.07Å |
| 1053 | S | 95.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.2 | -44.6 | 179.1 | -57.6 | 0 | 0 | 0 | 0 | 112.4 | A1019 A1049 N1050 R1051 V1055 C1056 N1057 | A1019-S1053 PolarHBondContact N-OG 2.82Å; A1049-S1053 WeakPolarHBondContact O-CB 3.35Å; A1049-S1053 PolarHBondContact O-N 3.36Å; A1049-S1053 PolarHBondContact O-OG 3.41Å; N1050-S1053 PolarHBondContact O-N 3.15Å; R1051-S1053 VanDerWaalsContact C-N 3.3Å; R1051-S1053 PolarHBondContact O-N 3.43Å; S1053-V1055 PolarHBondContact O-N 3.22Å; S1053-C1056 PolarHBondContact O-N 2.81Å; S1053-N1057 WeakPolarHBondContact O-CB 3.44Å; S1053-N1057 PolarHBondContact O-N 3.08Å; S1053-N1057 PolarHBondContact O-ND2 2.61Å; S1053-N1057 PolarHBondContact O-OD1 3.29Å |
| 1054 | F | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.2 | -45.5 | 175.9 | 172.9 | -109.3 | 0 | 0 | 0 | 112.5 | F1022 M1023 L1027 L1044 N1050 R1051 N1057 A1058 L1082 L1089 W1093 | F1022-F1054 HydrophobicContact CD1-CB 4.15Å; F1022-F1054 HydrophobicContact CE1-CB 4.09Å; M1023-F1054 HydrophobicContact CB-CD2 4.45Å; M1023-F1054 HydrophobicContact CE-CD2 4.11Å; M1023-F1054 HydrophobicContact CE-CE2 4.1Å; M1023-F1054 HydrophobicContact SD-CD2 4.15Å; L1027-F1054 HydrophobicContact CD2-CE2 4.17Å; L1044-F1054 HydrophobicContact CD1-CD1 4.35Å; L1044-F1054 HydrophobicContact CD2-CB 3.76Å; L1044-F1054 HydrophobicContact CD2-CD1 4.22Å; L1044-F1054 HydrophobicContact CD2-CG 4.05Å; N1050-F1054 VanDerWaalsContact O-CB 3.32Å; N1050-F1054 WeakPolarHBondContact O-CB 3.33Å; N1050-F1054 PolarHBondContact O-N 2.92Å; R1051-F1054 PolarHBondContact O-N 3.42Å; F1054-N1057 PolarHBondContact O-N 3.43Å; F1054-A1058 VanDerWaalsContact O-CB 3.31Å; F1054-A1058 WeakPolarHBondContact O-CB 3.37Å; F1054-A1058 PolarHBondContact O-N 3.41Å; F1054-L1082 HydrophobicContact CE1-CD1 4.15Å; F1054-L1082 HydrophobicContact CE2-CD1 3.76Å; F1054-L1082 HydrophobicContact CZ-CB 4.49Å; F1054-L1082 HydrophobicContact CZ-CD1 3.44Å; F1054-L1082 VanDerWaalsContact CZ-CD1 3.44Å; F1054-L1089 HydrophobicContact CD1-CD1 4.41Å; F1054-L1089 HydrophobicContact CD1-CD2 4.14Å; F1054-L1089 HydrophobicContact CE1-CD1 4.23Å; F1054-W1093 HydrophobicContact CD1-CZ2 4.47Å; F1054-W1093 HydrophobicContact CE1-CH2 4.11Å; F1054-W1093 AromaticContact CE1-CZ2 3.83Å; F1054-W1093 HydrophobicContact CE1-CZ2 3.83Å |
| 1055 | V | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -42.3 | 177.9 | 167.6 | 0 | 0 | 0 | 0 | 111.5 | R1051 Y1052 S1053 L1059 L1089 E1092 W1093 V1096 F1111 | R1051-V1055 WeakPolarHBondContact O-CB 3.42Å; R1051-V1055 VanDerWaalsContact O-CG2 3.31Å; R1051-V1055 WeakPolarHBondContact O-CG2 3.36Å; R1051-V1055 PolarHBondContact O-N 3.2Å; Y1052-V1055 PolarHBondContact O-N 3.36Å; S1053-V1055 PolarHBondContact O-N 3.22Å; V1055-L1059 HydrophobicContact CG1-CD1 4.38Å; V1055-L1059 PolarHBondContact O-N 3.15Å; V1055-L1059 VanDerWaalsContact O-N 3.15Å; V1055-L1089 HydrophobicContact CG2-CD2 3.93Å; V1055-E1092 HydrophobicContact CG2-CB 3.97Å; V1055-W1093 HydrophobicContact CB-CE3 4.4Å; V1055-W1093 HydrophobicContact CB-CH2 4.47Å; V1055-W1093 HydrophobicContact CB-CZ3 4.06Å; V1055-W1093 HydrophobicContact CG1-CE3 3.85Å; V1055-W1093 HydrophobicContact CG1-CZ3 3.81Å; V1055-W1093 HydrophobicContact CG2-CD2 4.23Å; V1055-W1093 HydrophobicContact CG2-CE3 3.97Å; V1055-W1093 HydrophobicContact CG2-CH2 3.99Å; V1055-W1093 HydrophobicContact CG2-CZ2 4.26Å; V1055-W1093 HydrophobicContact CG2-CZ3 3.84Å; V1055-V1096 HydrophobicContact CG1-CB 4.07Å; V1055-V1096 HydrophobicContact CG1-CG1 3.64Å; V1055-V1096 HydrophobicContact CG1-CG2 4.42Å; V1055-F1111 HydrophobicContact CB-CE1 4.4Å; V1055-F1111 HydrophobicContact CG1-CD1 4.4Å; V1055-F1111 HydrophobicContact CG1-CE1 3.82Å |
| 1056 | C | 94.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.8 | -46.2 | 174.8 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | W1018 Y1052 S1053 L1059 M1060 | W1018-C1056 HydrophobicContact CG-CB 4.44Å; Y1052-C1056 PolarHBondContact O-N 3.49Å; Y1052-C1056 PolarHBondContact O-SG 3.21Å; S1053-C1056 PolarHBondContact O-N 2.81Å; C1056-L1059 PolarHBondContact O-N 3.49Å; C1056-M1060 WeakPolarHBondContact O-CG 3.44Å; C1056-M1060 PolarHBondContact O-N 3.3Å |
| 1057 | N | 93.8 | Very high | 88.7 | Confident | 6 Ų | 6 | 31.9 Ų | 31.9 | 3% | 0.032 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.2 | -44.6 | -178.8 | -64.9 | -11.4 | 0 | 0 | 0 | 111.6 | W1018 A1019 P1020 F1022 L1027 S1053 F1054 L1059 M1060 H1061 | W1018-N1057 PolarHBondContact NE1-OD1 3.28Å; A1019-N1057 PolarHBondContact O-ND2 2.86Å; P1020-N1057 PolarHBondContact O-ND2 3.05Å; P1020-N1057 PolarHBondContact O-OD1 3.45Å; F1022-N1057 PolarHBondContact O-ND2 3.1Å; L1027-N1057 HydrophobicContact CD1-CB 3.62Å; S1053-N1057 WeakPolarHBondContact O-CB 3.44Å; S1053-N1057 PolarHBondContact O-N 3.08Å; S1053-N1057 PolarHBondContact O-ND2 2.61Å; S1053-N1057 PolarHBondContact O-OD1 3.29Å; F1054-N1057 PolarHBondContact O-N 3.43Å; N1057-L1059 PolarHBondContact O-N 2.76Å; N1057-M1060 PolarHBondContact O-N 3.27Å; N1057-H1061 PolarHBondContact O-CD2 3.36Å; N1057-H1061 VanDerWaalsContact O-CD2 3.25Å; N1057-H1061 PolarHBondContact O-N 3.48Å; N1057-H1061 VanDerWaalsContact O-N 3.12Å |
| 1058 | A | 94.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.1 | -45.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1027 F1054 H1061 V1062 W1093 | L1027-A1058 HydrophobicContact CD1-CB 4.38Å; L1027-A1058 HydrophobicContact CD2-CB 4.01Å; F1054-A1058 VanDerWaalsContact O-CB 3.31Å; F1054-A1058 WeakPolarHBondContact O-CB 3.37Å; F1054-A1058 PolarHBondContact O-N 3.41Å; A1058-H1061 PolarHBondContact O-N 3.06Å; A1058-V1062 WeakPolarHBondContact O-CG2 3.4Å; A1058-V1062 PolarHBondContact O-N 3.39Å; A1058-V1062 VanDerWaalsContact O-N 3.14Å; A1058-W1093 HydrophobicContact CB-CH2 3.94Å; A1058-W1093 HydrophobicContact CB-CZ3 4.42Å |
| 1059 | L | 93.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72.1 | -30.8 | 178.1 | -74.8 | 172.9 | 0 | 0 | 0 | 113.4 | V1055 C1056 N1057 H1061 V1062 C1063 W1093 V1096 L1100 L1114 L1129 F1132 | V1055-L1059 HydrophobicContact CG1-CD1 4.38Å; V1055-L1059 PolarHBondContact O-N 3.15Å; V1055-L1059 VanDerWaalsContact O-N 3.15Å; C1056-L1059 PolarHBondContact O-N 3.49Å; N1057-L1059 PolarHBondContact O-N 2.76Å; L1059-H1061 VanDerWaalsContact C-N 3.32Å; L1059-H1061 PolarHBondContact O-N 3.49Å; L1059-V1062 PolarHBondContact O-N 2.84Å; L1059-C1063 VanDerWaalsContact O-CB 3.32Å; L1059-C1063 WeakPolarHBondContact O-CB 3.39Å; L1059-C1063 PolarHBondContact O-N 3.03Å; L1059-C1063 PolarHBondContact O-SG 3.32Å; L1059-W1093 HydrophobicContact CG-CZ3 4.4Å; L1059-V1096 HydrophobicContact CD1-CB 4.13Å; L1059-V1096 HydrophobicContact CD1-CG1 3.43Å; L1059-V1096 VanDerWaalsContact CD1-CG1 3.43Å; L1059-V1096 HydrophobicContact CD1-CG2 3.54Å; L1059-L1100 HydrophobicContact CD1-CD1 4.32Å; L1059-L1114 HydrophobicContact CB-CD1 4.2Å; L1059-L1114 HydrophobicContact CB-CD2 3.93Å; L1059-L1114 HydrophobicContact CD1-CD2 3.82Å; L1059-L1129 HydrophobicContact CD2-CD1 3.62Å; L1059-F1132 HydrophobicContact CD2-CD1 4.21Å; L1059-F1132 HydrophobicContact CD2-CE1 3.94Å |
| 1060 | M | 91.5 | Very high | 87.1 | Confident | 39 Ų | 39 | 32.3 Ų | 32.3 | 19% | 0.192 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 169.8 | -76.1 | -61.9 | -64.8 | 0 | 0 | 111.6 | W1018 C1056 N1057 V1062 V1064 G1065 L1114 N1117 V1118 | W1018-M1060 HydrophobicContact CH2-CG 4.48Å; W1018-M1060 HydrophobicContact CZ2-CG 4.18Å; C1056-M1060 WeakPolarHBondContact O-CG 3.44Å; C1056-M1060 PolarHBondContact O-N 3.3Å; N1057-M1060 PolarHBondContact O-N 3.27Å; M1060-V1062 PolarHBondContact O-N 3.02Å; M1060-V1064 HydrophobicContact CE-CB 4.16Å; M1060-V1064 HydrophobicContact CE-CG1 4.49Å; M1060-V1064 HydrophobicContact CE-CG2 3.73Å; M1060-V1064 WeakPolarHBondContact O-CA 3.48Å; M1060-V1064 WeakPolarHBondContact O-CB 3.43Å; M1060-V1064 PolarHBondContact O-N 2.78Å; M1060-V1064 HydrophobicContact SD-CG2 4.12Å; M1060-G1065 PolarHBondContact O-N 2.99Å; M1060-L1114 HydrophobicContact CG-CD1 3.82Å; M1060-L1114 HydrophobicContact SD-CD1 3.76Å; M1060-N1117 HydrophobicContact CE-CB 4.01Å; M1060-N1117 HydrophobicContact SD-CB 3.84Å; M1060-V1118 HydrophobicContact SD-CG2 3.75Å |
| 1061 | H | 90.2 | Very high | 86.7 | Confident | 34 Ų | 34 | 34.4 Ų | 34.4 | 16% | 0.157 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.4 | -30.3 | 174.3 | -75.6 | -71.8 | 0 | 0 | 0 | 113.7 | N1057 A1058 L1059 G1065 R1071 I1075 | N1057-H1061 PolarHBondContact O-CD2 3.36Å; N1057-H1061 VanDerWaalsContact O-CD2 3.25Å; N1057-H1061 PolarHBondContact O-N 3.48Å; N1057-H1061 VanDerWaalsContact O-N 3.12Å; A1058-H1061 PolarHBondContact O-N 3.06Å; L1059-H1061 VanDerWaalsContact C-N 3.32Å; L1059-H1061 PolarHBondContact O-N 3.49Å; H1061-G1065 WeakPolarHBondContact O-CA 3.47Å; H1061-G1065 PolarHBondContact O-N 3.07Å; H1061-R1071 PolarHBondContact ND1-NH2 3.44Å; H1061-I1075 HydrophobicContact CB-CD1 3.81Å |
| 1062 | V | 90.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -78.2 | -34.9 | 176.2 | 173.4 | 0 | 0 | 0 | 0 | 112.6 | A1058 L1059 M1060 I1075 L1129 F1132 | A1058-V1062 WeakPolarHBondContact O-CG2 3.4Å; A1058-V1062 PolarHBondContact O-N 3.39Å; A1058-V1062 VanDerWaalsContact O-N 3.14Å; L1059-V1062 PolarHBondContact O-N 2.84Å; M1060-V1062 PolarHBondContact O-N 3.02Å; V1062-I1075 HydrophobicContact CG2-CG2 4.1Å; V1062-L1129 HydrophobicContact CG1-CB 4.34Å; V1062-L1129 HydrophobicContact CG1-CD1 4.44Å; V1062-F1132 HydrophobicContact CG1-CB 4.17Å; V1062-F1132 HydrophobicContact CG1-CG 4.5Å; V1062-F1132 HydrophobicContact CG2-CD2 3.87Å; V1062-F1132 HydrophobicContact CG2-CE2 4.33Å; V1062-F1132 HydrophobicContact CG2-CG 4.25Å |
| 1063 | C | 89 | Confident | 86.4 | Confident | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.034 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -94.1 | -35.9 | -174.2 | -55.2 | 0 | 0 | 0 | 0 | 113.8 | L1059 V1118 F1125 | L1059-C1063 VanDerWaalsContact O-CB 3.32Å; L1059-C1063 WeakPolarHBondContact O-CB 3.39Å; L1059-C1063 PolarHBondContact O-N 3.03Å; L1059-C1063 PolarHBondContact O-SG 3.32Å; C1063-V1118 HydrophobicContact CB-CG1 3.88Å; C1063-V1118 HydrophobicContact CB-CG2 4.03Å; C1063-F1125 HydrophobicContact CB-CB 4.42Å; C1063-F1125 HydrophobicContact CB-CD1 4.46Å; C1063-F1125 HydrophobicContact CB-CD2 3.89Å; C1063-F1125 HydrophobicContact CB-CE2 4.27Å; C1063-F1125 HydrophobicContact CB-CG 4Å; C1063-F1125 WeakPolarHBondContact O-CB 3.32Å |
| 1064 | V | 80 | Confident | 86.2 | Confident | 88 Ų | 88 | 36.7 Ų | 36.7 | 53% | 0.533 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -10.9 | -172.1 | -169.3 | 0 | 0 | 0 | 0 | 112.3 | M1060 V1118 | M1060-V1064 HydrophobicContact CE-CB 4.16Å; M1060-V1064 HydrophobicContact CE-CG1 4.49Å; M1060-V1064 HydrophobicContact CE-CG2 3.73Å; M1060-V1064 WeakPolarHBondContact O-CA 3.48Å; M1060-V1064 WeakPolarHBondContact O-CB 3.43Å; M1060-V1064 PolarHBondContact O-N 2.78Å; M1060-V1064 HydrophobicContact SD-CG2 4.12Å; V1064-V1118 HydrophobicContact CG2-CG2 4.21Å |
| 1065 | G | 68.1 | Low | 86 | Confident | 23 Ų | 23 | 36.7 Ų | 36.7 | 24% | 0.237 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -69.8 | 168.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1060 H1061 H1067 | M1060-G1065 PolarHBondContact O-N 2.99Å; H1061-G1065 WeakPolarHBondContact O-CA 3.47Å; H1061-G1065 PolarHBondContact O-N 3.07Å; G1065-H1067 PolarHBondContact O-N 3.03Å |
| 1066 | H | 63.6 | Low | 85.9 | Confident | 176 Ų | 176 | 36.7 Ų | 36.7 | 82% | 0.815 | 19% | 0.191 | S | C | * | . | trans | -54.5 | 125.2 | 165.9 | -71.8 | -94.9 | 0 | 0 | 0 | 109.2 | D1068 | H1066-D1068 PolarHBondContact O-N 3.44Š| ||
| 1067 | H | 69.5 | Low | 85.8 | Confident | 84 Ų | 84 | 39 Ų | 39 | 39% | 0.389 | 20% | 0.202 | S | C | . | . | trans | -72.9 | 44.8 | -178.3 | -40 | -68.9 | 0 | 0 | 0 | 113.4 | G1065 P1069 S1124 | G1065-H1067 PolarHBondContact O-N 3.03Å; H1067-P1069 WeakPolarHBondContact O-CD 3.34Å; H1067-S1124 PolarHBondContact CE1-OG 2.99Å | ||
| 1068 | D | 79.7 | Confident | 85.7 | Confident | 75 Ų | 75 | 38.8 Ų | 38.8 | 40% | 0.401 | 20% | 0.201 | S | C | . | . | trans | -68 | 117.4 | 170.6 | 174.5 | 12.6 | 0 | 0 | 0 | 109.3 | H1066 D1070 R1071 V1072 | H1066-D1068 PolarHBondContact O-N 3.44Å; D1068-D1070 PolarHBondContact O-N 3.06Å; D1068-D1070 PolarHBondContact OD1-N 3.43Å; D1068-R1071 HydrophobicContact CB-CB 4.31Å; D1068-R1071 PolarHBondContact O-N 3.42Å; D1068-V1072 WeakPolarHBondContact O-CG2 3.15Å; D1068-V1072 PolarHBondContact O-N 3.26Å | ||
| 1069 | P | 79.1 | Confident | 85.8 | Confident | 34 Ų | 34 | 38.8 Ų | 38.8 | 22% | 0.221 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.1 | -30 | -179.1 | 25.7 | -35.3 | 0 | 0 | 0 | 113 | H1067 V1072 N1073 V1198 | H1067-P1069 WeakPolarHBondContact O-CD 3.34Å; P1069-V1072 PolarHBondContact O-N 2.93Å; P1069-N1073 PolarHBondContact O-N 2.87Å; P1069-N1073 VanDerWaalsContact O-N 3.1Å; P1069-N1073 PolarHBondContact O-ND2 3.06Å; P1069-V1198 HydrophobicContact CB-CB 4.32Å; P1069-V1198 HydrophobicContact CB-CG1 3.97Å; P1069-V1198 HydrophobicContact CB-CG2 4.18Å |
| 1070 | D | 82.1 | Confident | 85.8 | Confident | 52 Ų | 52 | 38.8 Ų | 38.8 | 28% | 0.278 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68 | -53.2 | -177.9 | -74.5 | -5.8 | 0 | 0 | 0 | 110 | D1068 V1072 N1073 D1074 R1201 | D1068-D1070 PolarHBondContact O-N 3.06Å; D1068-D1070 PolarHBondContact OD1-N 3.43Å; D1070-V1072 VanDerWaalsContact C-N 3.26Å; D1070-V1072 PolarHBondContact O-N 3.22Å; D1070-N1073 WeakPolarHBondContact O-CB 3.38Å; D1070-N1073 PolarHBondContact O-N 3.06Å; D1070-D1074 PolarHBondContact O-N 3.22Å; D1070-R1201 WeakPolarHBondContact OD1-CD 3.32Å; D1070-R1201 IonicContact OD1-CZ 3.49Å; D1070-R1201 IonicContact OD1-NE 3.59Å; D1070-R1201 PolarHBondContact OD1-NE 2.79Å; D1070-R1201 IonicContact OD1-NH1 2.73Å; D1070-R1201 PolarHBondContact OD1-NH1 3.04Å; D1070-R1201 IonicContact OD1-NH2 2.79Å; D1070-R1201 IonicContact OD2-CZ 2.61Å; D1070-R1201 VanDerWaalsContact OD2-CZ 3.25Å; D1070-R1201 IonicContact OD2-NH1 3.43Å; D1070-R1201 PolarHBondContact OD2-NH1 3.32Å; D1070-R1201 IonicContact OD2-NH2 2.76Å; D1070-R1201 PolarHBondContact OD2-NH2 3.26Å |
| 1071 | R | 87.4 | Confident | 85.7 | Confident | 74 Ų | 74 | 38 Ų | 38 | 28% | 0.279 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.6 | -34.5 | 176.4 | -173.6 | 170.6 | 177.9 | 172 | -4.7 | 113.2 | L1027 H1061 D1068 D1074 I1075 | L1027-R1071 PolarHBondContact O-NH2 3Å; H1061-R1071 PolarHBondContact ND1-NH2 3.44Å; D1068-R1071 HydrophobicContact CB-CB 4.31Å; D1068-R1071 PolarHBondContact O-N 3.42Å; R1071-D1074 PolarHBondContact O-N 2.98Å; R1071-I1075 HydrophobicContact CG-CD1 3.88Å; R1071-I1075 HydrophobicContact CG-CG1 4.37Å; R1071-I1075 WeakPolarHBondContact O-CB 3.18Å; R1071-I1075 VanDerWaalsContact O-CG1 3.26Å; R1071-I1075 WeakPolarHBondContact O-CG1 3.36Å; R1071-I1075 PolarHBondContact O-N 2.73Å |
| 1072 | V | 90.2 | Very high | 85.8 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.024 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.3 | -40.2 | 175.4 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | D1068 P1069 D1070 A1076 S1128 F1132 V1198 | D1068-V1072 WeakPolarHBondContact O-CG2 3.15Å; D1068-V1072 PolarHBondContact O-N 3.26Å; P1069-V1072 PolarHBondContact O-N 2.93Å; D1070-V1072 VanDerWaalsContact C-N 3.26Å; D1070-V1072 PolarHBondContact O-N 3.22Å; V1072-A1076 WeakPolarHBondContact O-CB 3.34Å; V1072-A1076 PolarHBondContact O-N 3.41Å; V1072-A1076 VanDerWaalsContact O-N 3.11Å; V1072-S1128 WeakPolarHBondContact CG1-O 2.98Å; V1072-F1132 HydrophobicContact CG1-CB 4.45Å; V1072-V1198 HydrophobicContact CG1-CG1 4.43Å |
| 1073 | N | 91.4 | Very high | 85.8 | Confident | 7 Ų | 7 | 36.4 Ų | 36.4 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64 | -45.4 | 174.7 | -82.5 | -109.8 | 0 | 0 | 0 | 110.7 | P1069 D1070 A1076 I1077 I1135 G1199 R1201 | P1069-N1073 PolarHBondContact O-N 2.87Å; P1069-N1073 VanDerWaalsContact O-N 3.1Å; P1069-N1073 PolarHBondContact O-ND2 3.06Å; D1070-N1073 WeakPolarHBondContact O-CB 3.38Å; D1070-N1073 PolarHBondContact O-N 3.06Å; N1073-A1076 WeakPolarHBondContact O-CB 3.34Å; N1073-A1076 PolarHBondContact O-N 3.01Å; N1073-I1077 WeakPolarHBondContact O-CG1 3.2Å; N1073-I1077 PolarHBondContact O-N 2.87Å; N1073-I1135 HydrophobicContact CB-CD1 4.24Å; N1073-G1199 PolarHBondContact ND2-O 3.05Å; N1073-R1201 PolarHBondContact OD1-N 2.87Å |
| 1074 | D | 90.4 | Very high | 85.8 | Confident | 66 Ų | 66 | 36.2 Ų | 36.2 | 35% | 0.353 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.6 | -42.9 | -179 | -68 | -18.2 | 0 | 0 | 0 | 112.7 | P1030 D1070 R1071 A1076 I1077 L1078 | P1030-D1074 HydrophobicContact CB-CB 4.15Å; P1030-D1074 HydrophobicContact CG-CB 3.71Å; D1070-D1074 PolarHBondContact O-N 3.22Å; R1071-D1074 PolarHBondContact O-N 2.98Å; D1074-A1076 VanDerWaalsContact C-N 3.29Å; D1074-A1076 PolarHBondContact O-N 2.89Å; D1074-I1077 PolarHBondContact O-N 3.43Å; D1074-L1078 WeakPolarHBondContact O-CB 3.37Å; D1074-L1078 PolarHBondContact O-N 3.35Å |
| 1075 | I | 92.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -39 | 174 | -69.4 | 171.2 | 0 | 0 | 0 | 110.7 | L1027 P1030 H1061 V1062 R1071 C1079 F1132 | L1027-I1075 HydrophobicContact CD2-CG2 4.23Å; P1030-I1075 HydrophobicContact CB-CG1 4.36Å; P1030-I1075 HydrophobicContact CG-CG1 4.05Å; H1061-I1075 HydrophobicContact CB-CD1 3.81Å; V1062-I1075 HydrophobicContact CG2-CG2 4.1Å; R1071-I1075 HydrophobicContact CG-CD1 3.88Å; R1071-I1075 HydrophobicContact CG-CG1 4.37Å; R1071-I1075 WeakPolarHBondContact O-CB 3.18Å; R1071-I1075 VanDerWaalsContact O-CG1 3.26Å; R1071-I1075 WeakPolarHBondContact O-CG1 3.36Å; R1071-I1075 PolarHBondContact O-N 2.73Å; I1075-C1079 WeakPolarHBondContact O-CB 3.32Å; I1075-C1079 PolarHBondContact O-N 3.09Å; I1075-C1079 PolarHBondContact O-SG 3.05Å; I1075-F1132 HydrophobicContact CG2-CE2 4.14Å |
| 1076 | A | 93.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.9 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1072 N1073 D1074 C1079 A1080 F1132 I1135 | V1072-A1076 WeakPolarHBondContact O-CB 3.34Å; V1072-A1076 PolarHBondContact O-N 3.41Å; V1072-A1076 VanDerWaalsContact O-N 3.11Å; N1073-A1076 WeakPolarHBondContact O-CB 3.34Å; N1073-A1076 PolarHBondContact O-N 3.01Å; D1074-A1076 VanDerWaalsContact C-N 3.29Å; D1074-A1076 PolarHBondContact O-N 2.89Å; A1076-C1079 PolarHBondContact O-N 3.38Å; A1076-A1080 WeakPolarHBondContact O-CB 3.2Å; A1076-A1080 PolarHBondContact O-N 3.28Å; A1076-F1132 HydrophobicContact CB-CD2 3.64Å; A1076-F1132 HydrophobicContact CB-CE2 4.21Å; A1076-F1132 HydrophobicContact CB-CG 4.39Å; A1076-I1135 HydrophobicContact CB-CB 3.77Å; A1076-I1135 HydrophobicContact CB-CD1 3.77Å; A1076-I1135 HydrophobicContact CB-CG1 4.37Å; A1076-I1135 HydrophobicContact CB-CG2 3.69Å |
| 1077 | I | 92.3 | Very high | 88.2 | Confident | 48 Ų | 48 | 28.4 Ų | 28.4 | 25% | 0.246 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.8 | -44.4 | 176.4 | -67.8 | 162.6 | 0 | 0 | 0 | 110.9 | N1073 D1074 C1079 A1080 E1081 I1135 | N1073-I1077 WeakPolarHBondContact O-CG1 3.2Å; N1073-I1077 PolarHBondContact O-N 2.87Å; D1074-I1077 PolarHBondContact O-N 3.43Å; I1077-C1079 VanDerWaalsContact C-N 3.32Å; I1077-C1079 PolarHBondContact O-N 3.41Å; I1077-A1080 WeakPolarHBondContact O-CB 3.09Å; I1077-A1080 PolarHBondContact O-N 3.18Å; I1077-A1080 VanDerWaalsContact O-N 3.13Å; I1077-E1081 PolarHBondContact O-N 3.43Å; I1077-I1135 HydrophobicContact CG1-CG2 4.38Å |
| 1078 | L | 91.9 | Very high | 89.1 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.5 | -45.4 | 172.3 | 169.1 | 62.8 | 0 | 0 | 0 | 111.6 | T1026 L1027 P1030 Y1037 D1074 A1080 E1081 L1082 | T1026-L1078 HydrophobicContact CG2-CD1 4.06Å; T1026-L1078 HydrophobicContact CG2-CD2 3.93Å; T1026-L1078 VanDerWaalsContact O-CD2 3.3Å; T1026-L1078 WeakPolarHBondContact O-CD2 3.5Å; L1027-L1078 HydrophobicContact CD2-CD2 4.02Å; P1030-L1078 HydrophobicContact CB-CB 4.29Å; P1030-L1078 HydrophobicContact CB-CD2 3.8Å; Y1037-L1078 HydrophobicContact CD1-CD1 4.48Å; Y1037-L1078 HydrophobicContact CE1-CD1 3.84Å; D1074-L1078 WeakPolarHBondContact O-CB 3.37Å; D1074-L1078 PolarHBondContact O-N 3.35Å; L1078-A1080 VanDerWaalsContact C-N 3.32Å; L1078-A1080 PolarHBondContact O-N 3.34Å; L1078-E1081 PolarHBondContact O-N 2.95Å; L1078-L1082 HydrophobicContact CD1-CD1 3.71Å; L1078-L1082 HydrophobicContact CD1-CG 4.16Å; L1078-L1082 HydrophobicContact CG-CD1 4.14Å; L1078-L1082 WeakPolarHBondContact O-CG 3.42Å; L1078-L1082 PolarHBondContact O-N 2.98Å |
| 1079 | C | 94.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.5 | -36.1 | 176.6 | -70.4 | 0 | 0 | 0 | 0 | 112.1 | I1075 A1076 I1077 T1083 W1093 F1132 L1136 | I1075-C1079 WeakPolarHBondContact O-CB 3.32Å; I1075-C1079 PolarHBondContact O-N 3.09Å; I1075-C1079 PolarHBondContact O-SG 3.05Å; A1076-C1079 PolarHBondContact O-N 3.38Å; I1077-C1079 VanDerWaalsContact C-N 3.32Å; I1077-C1079 PolarHBondContact O-N 3.41Å; C1079-T1083 VanDerWaalsContact O-CB 3.24Å; C1079-T1083 WeakPolarHBondContact O-CB 3.23Å; C1079-T1083 PolarHBondContact O-N 2.95Å; C1079-T1083 PolarHBondContact O-OG1 3.47Å; C1079-W1093 HydrophobicContact CB-CH2 4.12Å; C1079-W1093 HydrophobicContact CB-CZ2 3.66Å; C1079-F1132 HydrophobicContact CB-CE2 4.01Å; C1079-F1132 HydrophobicContact CB-CZ 4.12Å; C1079-L1136 HydrophobicContact CB-CD2 4.12Å |
| 1080 | A | 93.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.3 | -45.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1076 I1077 L1078 T1083 G1084 L1136 R1139 | A1076-A1080 WeakPolarHBondContact O-CB 3.2Å; A1076-A1080 PolarHBondContact O-N 3.28Å; I1077-A1080 WeakPolarHBondContact O-CB 3.09Å; I1077-A1080 PolarHBondContact O-N 3.18Å; I1077-A1080 VanDerWaalsContact O-N 3.13Å; L1078-A1080 VanDerWaalsContact C-N 3.32Å; L1078-A1080 PolarHBondContact O-N 3.34Å; A1080-T1083 PolarHBondContact O-N 3.14Å; A1080-G1084 PolarHBondContact O-N 3.38Å; A1080-L1136 HydrophobicContact CB-CD2 4.28Å; A1080-R1139 HydrophobicContact CB-CB 3.69Å; A1080-R1139 HydrophobicContact CB-CG 3.84Å |
| 1081 | E | 90.5 | Very high | 91 | Very high | 24 Ų | 24 | 21.2 Ų | 21.2 | 11% | 0.112 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.8 | -46.5 | 176.9 | -71.4 | -54.2 | 147.8 | 0 | 0 | 112.2 | S966 S967 Y1037 I1077 L1078 T1083 G1084 Y1085 | S966-E1081 WeakPolarHBondContact CA-OE2 3.22Å; S966-E1081 VanDerWaalsContact CB-OE2 3.25Å; S966-E1081 WeakPolarHBondContact CB-OE2 3.46Å; S967-E1081 VanDerWaalsContact CB-OE1 3.23Å; S967-E1081 WeakPolarHBondContact CB-OE1 3.42Å; S967-E1081 PolarHBondContact N-OE1 3.41Å; S967-E1081 PolarHBondContact N-OE2 3.2Å; S967-E1081 PolarHBondContact OG-OE1 2.83Å; Y1037-E1081 HydrophobicContact CD1-CB 4.13Å; Y1037-E1081 HydrophobicContact CE1-CB 4.21Å; I1077-E1081 PolarHBondContact O-N 3.43Å; L1078-E1081 PolarHBondContact O-N 2.95Å; E1081-T1083 VanDerWaalsContact C-N 3.28Å; E1081-T1083 PolarHBondContact O-N 3.45Å; E1081-G1084 WeakPolarHBondContact O-CA 3.24Å; E1081-G1084 PolarHBondContact O-N 3.31Å; E1081-Y1085 VanDerWaalsContact O-CD2 3.22Å; E1081-Y1085 WeakPolarHBondContact O-CD2 3.25Å; E1081-Y1085 PolarHBondContact O-N 3.18Å |
| 1082 | L | 91.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.7 | -32.7 | 176.1 | -68.3 | 172.3 | 0 | 0 | 0 | 112.3 | M1023 Y1037 L1040 L1044 F1054 L1078 G1084 Y1085 C1086 L1089 | M1023-L1082 HydrophobicContact CE-CD1 3.82Å; Y1037-L1082 HydrophobicContact CD1-CD2 4.28Å; L1040-L1082 HydrophobicContact CB-CD2 3.59Å; L1040-L1082 HydrophobicContact CD1-CD2 4.35Å; L1044-L1082 HydrophobicContact CD1-CB 4.26Å; L1044-L1082 HydrophobicContact CD1-CD1 4.28Å; L1044-L1082 HydrophobicContact CD1-CD2 4.2Å; L1044-L1082 HydrophobicContact CD1-CG 4.49Å; F1054-L1082 HydrophobicContact CE1-CD1 4.15Å; F1054-L1082 HydrophobicContact CE2-CD1 3.76Å; F1054-L1082 HydrophobicContact CZ-CB 4.49Å; F1054-L1082 HydrophobicContact CZ-CD1 3.44Å; F1054-L1082 VanDerWaalsContact CZ-CD1 3.44Å; L1078-L1082 HydrophobicContact CD1-CD1 3.71Å; L1078-L1082 HydrophobicContact CD1-CG 4.16Å; L1078-L1082 HydrophobicContact CG-CD1 4.14Å; L1078-L1082 WeakPolarHBondContact O-CG 3.42Å; L1078-L1082 PolarHBondContact O-N 2.98Å; L1082-G1084 VanDerWaalsContact C-N 3.31Å; L1082-Y1085 PolarHBondContact O-N 3.4Å; L1082-C1086 WeakPolarHBondContact O-CB 3.25Å; L1082-C1086 PolarHBondContact O-N 2.85Å; L1082-L1089 HydrophobicContact CB-CD1 4.33Å |
| 1083 | T | 91.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -70 | -29.3 | 172.1 | -56.4 | 0 | 0 | 0 | 0 | 112 | R970 C1079 A1080 E1081 C1086 K1087 L1089 S1090 W1093 C1141 | R970-T1083 PolarHBondContact NH1-O 2.84Å; R970-T1083 PolarHBondContact NH2-O 3.21Å; C1079-T1083 VanDerWaalsContact O-CB 3.24Å; C1079-T1083 WeakPolarHBondContact O-CB 3.23Å; C1079-T1083 PolarHBondContact O-N 2.95Å; C1079-T1083 PolarHBondContact O-OG1 3.47Å; A1080-T1083 PolarHBondContact O-N 3.14Å; E1081-T1083 VanDerWaalsContact C-N 3.28Å; E1081-T1083 PolarHBondContact O-N 3.45Å; T1083-C1086 CarbonylContact O-C 3.56Å; T1083-C1086 PolarHBondContact O-N 3.31Å; T1083-K1087 PolarHBondContact O-N 2.97Å; T1083-L1089 HydrophobicContact CG2-CB 4.12Å; T1083-S1090 WeakPolarHBondContact CG2-OG 3.46Å; T1083-W1093 PolarHBondContact OG1-NE1 2.78Å; T1083-C1141 HydrophobicContact CG2-CB 3.75Å |
| 1084 | G | 87.5 | Confident | 91.7 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -52.5 | -62.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112 | G965 R970 A1080 E1081 L1082 C1086 | G965-G1084 CarbonylContact O-C 3.49Å; G965-G1084 WeakPolarHBondContact O-CA 3.49Å; G965-G1084 VanDerWaalsContact O-O 3.1Å; R970-G1084 PolarHBondContact NH2-O 3.38Å; A1080-G1084 PolarHBondContact O-N 3.38Å; E1081-G1084 WeakPolarHBondContact O-CA 3.24Å; E1081-G1084 PolarHBondContact O-N 3.31Å; L1082-G1084 VanDerWaalsContact C-N 3.31Å; G1084-C1086 VanDerWaalsContact C-N 3.29Å; G1084-C1086 PolarHBondContact O-N 2.79Å |
| 1085 | Y | 86.4 | Confident | 91.9 | Very high | 43 Ų | 43 | 14.5 Ų | 14.5 | 17% | 0.169 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -72.4 | -17.9 | -179.8 | -61.7 | -71.1 | 0 | 0 | 0 | 114.1 | D964 G965 Y1037 T1038 E1081 L1082 | D964-Y1085 WeakPolarHBondContact O-CE1 3.35Å; G965-Y1085 PolarHBondContact O-N 3.41Å; Y1037-Y1085 VanDerWaalsContact CB-CE2 3.43Å; Y1037-Y1085 HydrophobicContact CG-CE2 4.35Å; T1038-Y1085 HydrophobicContact CG2-CD1 3.86Å; T1038-Y1085 HydrophobicContact CG2-CE1 3.48Å; T1038-Y1085 VanDerWaalsContact CG2-CE1 3.48Å; E1081-Y1085 VanDerWaalsContact O-CD2 3.22Å; E1081-Y1085 WeakPolarHBondContact O-CD2 3.25Å; E1081-Y1085 PolarHBondContact O-N 3.18Å; L1082-Y1085 PolarHBondContact O-N 3.4Å |
| 1086 | C | 90.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.014 | 8% | 0.079 | C | C | . | . | trans | -131.4 | 80.9 | 177.8 | -173 | 0 | 0 | 0 | 0 | 111.4 | L1044 S1045 L1082 T1083 G1084 S1088 L1089 | L1044-C1086 HydrophobicContact CB-CB 4.23Å; S1045-C1086 WeakPolarHBondContact CA-SG 3.49Å; S1045-C1086 PolarHBondContact N-SG 3.07Å; S1045-C1086 VanDerWaalsContact N-SG 3.43Å; L1082-C1086 WeakPolarHBondContact O-CB 3.25Å; L1082-C1086 PolarHBondContact O-N 2.85Å; T1083-C1086 CarbonylContact O-C 3.56Å; T1083-C1086 PolarHBondContact O-N 3.31Å; G1084-C1086 VanDerWaalsContact C-N 3.29Å; G1084-C1086 PolarHBondContact O-N 2.79Å; C1086-S1088 PolarHBondContact O-N 2.94Å; C1086-L1089 HydrophobicContact CB-CD1 4.01Å; C1086-L1089 HydrophobicContact CB-CG 4.21Å; C1086-L1089 WeakPolarHBondContact O-CB 3.39Å; C1086-L1089 PolarHBondContact O-N 2.89Å | ||
| 1087 | K | 86.2 | Confident | 92 | Very high | 79 Ų | 79 | 14.6 Ų | 14.6 | 34% | 0.343 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -31.9 | 177.6 | 179.2 | 172.3 | 169.3 | 172.9 | 0 | 113.6 | N1003 T1004 C1007 T1083 L1089 S1090 | N1003-K1087 PolarHBondContact O-NZ 3.32Å; T1004-K1087 WeakPolarHBondContact O-CE 3.31Å; T1004-K1087 PolarHBondContact O-NZ 3.41Å; C1007-K1087 PolarHBondContact SG-NZ 3.31Å; T1083-K1087 PolarHBondContact O-N 2.97Å; K1087-L1089 PolarHBondContact O-N 3.45Å; K1087-L1089 VanDerWaalsContact O-N 3.12Å; K1087-S1090 WeakPolarHBondContact O-CB 3.32Å; K1087-S1090 PolarHBondContact O-N 3.01Å; K1087-S1090 VanDerWaalsContact O-N 3.08Å; K1087-S1090 PolarHBondContact O-OG 3.06Å |
| 1088 | S | 88.9 | Confident | 92 | Very high | 57 Ų | 57 | 14.2 Ų | 14.2 | 40% | 0.399 | 8% | 0.076 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -27.3 | 177.6 | -49.5 | 0 | 0 | 0 | 0 | 113.5 | C1086 S1090 A1091 | C1086-S1088 PolarHBondContact O-N 2.94Å; S1088-S1090 VanDerWaalsContact C-N 3.26Å; S1088-S1090 PolarHBondContact O-N 3.4Å; S1088-A1091 PolarHBondContact O-N 3.35Å |
| 1089 | L | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.5 | -29.4 | 176.7 | -73.3 | 171.2 | 0 | 0 | 0 | 113.2 | L1044 R1051 F1054 V1055 L1082 T1083 C1086 K1087 A1091 E1092 W1093 | L1044-L1089 HydrophobicContact CD1-CD1 4.33Å; R1051-L1089 HydrophobicContact CB-CD2 3.86Å; R1051-L1089 HydrophobicContact CG-CD2 3.89Å; F1054-L1089 HydrophobicContact CD1-CD1 4.41Å; F1054-L1089 HydrophobicContact CD1-CD2 4.14Å; F1054-L1089 HydrophobicContact CE1-CD1 4.23Å; V1055-L1089 HydrophobicContact CG2-CD2 3.93Å; L1082-L1089 HydrophobicContact CB-CD1 4.33Å; T1083-L1089 HydrophobicContact CG2-CB 4.12Å; C1086-L1089 HydrophobicContact CB-CD1 4.01Å; C1086-L1089 HydrophobicContact CB-CG 4.21Å; C1086-L1089 WeakPolarHBondContact O-CB 3.39Å; C1086-L1089 PolarHBondContact O-N 2.89Å; K1087-L1089 PolarHBondContact O-N 3.45Å; K1087-L1089 VanDerWaalsContact O-N 3.12Å; L1089-A1091 PolarHBondContact O-N 3.12Å; L1089-E1092 PolarHBondContact O-N 2.91Å; L1089-W1093 PolarHBondContact O-N 3.06Å |
| 1090 | S | 92.7 | Very high | 91.8 | Very high | 9 Ų | 9 | 14.2 Ų | 14.2 | 6% | 0.063 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -56.6 | -35.5 | 176.8 | -64 | 0 | 0 | 0 | 0 | 112.7 | T1083 K1087 S1088 L1094 C1141 L1142 | T1083-S1090 WeakPolarHBondContact CG2-OG 3.46Å; K1087-S1090 WeakPolarHBondContact O-CB 3.32Å; K1087-S1090 PolarHBondContact O-N 3.01Å; K1087-S1090 VanDerWaalsContact O-N 3.08Å; K1087-S1090 PolarHBondContact O-OG 3.06Å; S1088-S1090 VanDerWaalsContact C-N 3.26Å; S1088-S1090 PolarHBondContact O-N 3.4Å; S1090-L1094 WeakPolarHBondContact O-CB 3.45Å; S1090-L1094 PolarHBondContact O-N 3.21Å; S1090-L1094 VanDerWaalsContact O-N 3.12Å; S1090-C1141 VanDerWaalsContact CB-O 3.32Å; S1090-C1141 WeakPolarHBondContact CB-O 3.3Å; S1090-C1141 PolarHBondContact OG-O 3.42Å; S1090-L1142 WeakPolarHBondContact O-CD2 3.29Å |
| 1091 | A | 93.4 | Very high | 91.8 | Very high | 28 Ų | 28 | 14.5 Ų | 14.5 | 23% | 0.231 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -74.3 | -37.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1009 S1012 S1088 L1089 G1095 | V1009-A1091 HydrophobicContact CG1-CB 3.82Å; S1012-A1091 WeakPolarHBondContact CB-O 3.31Å; S1012-A1091 PolarHBondContact N-O 3.01Å; S1088-A1091 PolarHBondContact O-N 3.35Å; L1089-A1091 PolarHBondContact O-N 3.12Å; A1091-G1095 PolarHBondContact O-N 2.96Å |
| 1092 | E | 95 | Very high | 91.7 | Very high | 7 Ų | 7 | 13.7 Ų | 13.7 | 3% | 0.033 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -67.5 | -43.7 | 177.3 | -44.3 | -75.5 | -171.5 | 0 | 0 | 110.6 | S1012 S1014 R1051 V1055 L1089 G1095 V1096 F1111 | S1012-E1092 VanDerWaalsContact CB-OE2 3.31Å; S1012-E1092 WeakPolarHBondContact CB-OE2 3.47Å; S1012-E1092 PolarHBondContact OG-OE2 3.07Å; S1014-E1092 WeakPolarHBondContact CB-OE2 3.5Å; S1014-E1092 PolarHBondContact OG-OE2 2.88Å; R1051-E1092 HydrophobicContact CB-CG 4.16Å; R1051-E1092 IonicContact CZ-OE1 3.71Å; R1051-E1092 VanDerWaalsContact CZ-OE1 3.28Å; R1051-E1092 IonicContact NE-OE1 2.81Å; R1051-E1092 PolarHBondContact NE-OE1 2.84Å; R1051-E1092 IonicContact NH2-OE1 4Å; R1051-E1092 PolarHBondContact NH2-OE1 3.17Å; V1055-E1092 HydrophobicContact CG2-CB 3.97Å; L1089-E1092 PolarHBondContact O-N 2.91Å; E1092-G1095 PolarHBondContact O-N 2.67Å; E1092-V1096 WeakPolarHBondContact O-CG1 3.18Å; E1092-V1096 PolarHBondContact O-N 3.26Å; E1092-F1111 HydrophobicContact CB-CZ 4.22Å; E1092-F1111 WeakPolarHBondContact O-CZ 3.46Å |
| 1093 | W | 96 | Very high | 91.2 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.008 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 173.3 | -65.1 | 131.6 | 0 | 0 | 0 | 112.2 | F1054 V1055 A1058 L1059 C1079 T1083 L1089 G1095 V1096 L1097 F1132 L1136 L1142 | F1054-W1093 HydrophobicContact CD1-CZ2 4.47Å; F1054-W1093 HydrophobicContact CE1-CH2 4.11Å; F1054-W1093 AromaticContact CE1-CZ2 3.83Å; F1054-W1093 HydrophobicContact CE1-CZ2 3.83Å; V1055-W1093 HydrophobicContact CB-CE3 4.4Å; V1055-W1093 HydrophobicContact CB-CH2 4.47Å; V1055-W1093 HydrophobicContact CB-CZ3 4.06Å; V1055-W1093 HydrophobicContact CG1-CE3 3.85Å; V1055-W1093 HydrophobicContact CG1-CZ3 3.81Å; V1055-W1093 HydrophobicContact CG2-CD2 4.23Å; V1055-W1093 HydrophobicContact CG2-CE3 3.97Å; V1055-W1093 HydrophobicContact CG2-CH2 3.99Å; V1055-W1093 HydrophobicContact CG2-CZ2 4.26Å; V1055-W1093 HydrophobicContact CG2-CZ3 3.84Å; A1058-W1093 HydrophobicContact CB-CH2 3.94Å; A1058-W1093 HydrophobicContact CB-CZ3 4.42Å; L1059-W1093 HydrophobicContact CG-CZ3 4.4Å; C1079-W1093 HydrophobicContact CB-CH2 4.12Å; C1079-W1093 HydrophobicContact CB-CZ2 3.66Å; T1083-W1093 PolarHBondContact OG1-NE1 2.78Å; L1089-W1093 PolarHBondContact O-N 3.06Å; W1093-G1095 VanDerWaalsContact C-N 3.3Å; W1093-G1095 PolarHBondContact O-N 3.24Å; W1093-V1096 HydrophobicContact CE3-CG1 4.42Å; W1093-V1096 WeakPolarHBondContact O-CG1 3.39Å; W1093-L1097 WeakPolarHBondContact O-CB 3.35Å; W1093-L1097 VanDerWaalsContact O-CG 3.23Å; W1093-L1097 WeakPolarHBondContact O-CG 3.37Å; W1093-L1097 PolarHBondContact O-N 3.17Å; W1093-F1132 HydrophobicContact CE3-CE1 4.29Å; W1093-F1132 HydrophobicContact CE3-CZ 4.29Å; W1093-F1132 AromaticContact CH2-CZ 3.93Å; W1093-F1132 HydrophobicContact CH2-CZ 3.93Å; W1093-F1132 HydrophobicContact CZ2-CZ 4.47Å; W1093-F1132 HydrophobicContact CZ3-CE1 4.16Å; W1093-F1132 AromaticContact CZ3-CZ 3.81Å; W1093-F1132 HydrophobicContact CZ3-CZ 3.81Å; W1093-L1136 HydrophobicContact CD2-CD1 4.14Å; W1093-L1136 HydrophobicContact CG-CD1 4.16Å; W1093-L1142 HydrophobicContact CB-CD1 4.18Å; W1093-L1142 HydrophobicContact CB-CD2 4.12Å; W1093-L1142 HydrophobicContact CB-CG 4.39Å |
| 1094 | L | 94.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.2 | -35.1 | 177.8 | -169.8 | 63.3 | 0 | 0 | 0 | 111.8 | V1009 P1011 S1090 K1098 L1142 D1146 L1147 C1150 | V1009-L1094 HydrophobicContact CB-CD2 4.14Å; V1009-L1094 HydrophobicContact CG1-CD2 4.13Å; V1009-L1094 WeakPolarHBondContact O-CD2 3.46Å; P1011-L1094 HydrophobicContact CB-CD2 4.46Å; P1011-L1094 HydrophobicContact CB-CG 4.17Å; S1090-L1094 WeakPolarHBondContact O-CB 3.45Å; S1090-L1094 PolarHBondContact O-N 3.21Å; S1090-L1094 VanDerWaalsContact O-N 3.12Å; L1094-K1098 WeakPolarHBondContact O-CB 3.42Å; L1094-K1098 PolarHBondContact O-N 3.5Å; L1094-L1142 HydrophobicContact CB-CD2 3.99Å; L1094-L1142 HydrophobicContact CD1-CD2 4.49Å; L1094-D1146 HydrophobicContact CD2-CB 4.09Å; L1094-L1147 HydrophobicContact CD1-CB 4.48Å; L1094-L1147 HydrophobicContact CD1-CD1 4.33Å; L1094-C1150 HydrophobicContact CD1-CB 4.18Å; L1094-C1150 HydrophobicContact CD2-CB 4.02Å; L1094-C1150 HydrophobicContact CG-CB 4.13Å |
| 1095 | G | 93.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.5 | -51.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1012 A1091 E1092 W1093 L1097 K1098 A1099 | S1012-G1095 WeakPolarHBondContact O-CA 3.48Å; A1091-G1095 PolarHBondContact O-N 2.96Å; E1092-G1095 PolarHBondContact O-N 2.67Å; W1093-G1095 VanDerWaalsContact C-N 3.3Å; W1093-G1095 PolarHBondContact O-N 3.24Å; G1095-L1097 VanDerWaalsContact C-N 3.34Å; G1095-L1097 PolarHBondContact O-N 2.87Å; G1095-K1098 WeakPolarHBondContact O-CB 3.47Å; G1095-K1098 PolarHBondContact O-N 2.88Å; G1095-A1099 PolarHBondContact O-N 3.43Å |
| 1096 | V | 93.7 | Very high | 87.5 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.4 | -31.6 | -179.7 | 71.8 | 0 | 0 | 0 | 0 | 112.6 | V1055 L1059 E1092 W1093 A1099 L1100 F1111 L1114 | V1055-V1096 HydrophobicContact CG1-CB 4.07Å; V1055-V1096 HydrophobicContact CG1-CG1 3.64Å; V1055-V1096 HydrophobicContact CG1-CG2 4.42Å; L1059-V1096 HydrophobicContact CD1-CB 4.13Å; L1059-V1096 HydrophobicContact CD1-CG1 3.43Å; L1059-V1096 VanDerWaalsContact CD1-CG1 3.43Å; L1059-V1096 HydrophobicContact CD1-CG2 3.54Å; E1092-V1096 WeakPolarHBondContact O-CG1 3.18Å; E1092-V1096 PolarHBondContact O-N 3.26Å; W1093-V1096 HydrophobicContact CE3-CG1 4.42Å; W1093-V1096 WeakPolarHBondContact O-CG1 3.39Å; V1096-A1099 WeakPolarHBondContact O-CB 3.36Å; V1096-A1099 PolarHBondContact O-N 2.87Å; V1096-L1100 WeakPolarHBondContact O-CG 3.38Å; V1096-L1100 PolarHBondContact O-N 3.27Å; V1096-F1111 HydrophobicContact CB-CB 4.4Å; V1096-F1111 HydrophobicContact CB-CD1 3.81Å; V1096-F1111 HydrophobicContact CB-CD2 3.82Å; V1096-F1111 HydrophobicContact CB-CE1 3.99Å; V1096-F1111 HydrophobicContact CB-CE2 4.03Å; V1096-F1111 HydrophobicContact CB-CG 3.73Å; V1096-F1111 HydrophobicContact CB-CZ 4.11Å; V1096-F1111 HydrophobicContact CG2-CB 3.91Å; V1096-F1111 HydrophobicContact CG2-CD1 3.8Å; V1096-F1111 HydrophobicContact CG2-CD2 4.28Å; V1096-F1111 HydrophobicContact CG2-CE1 4.43Å; V1096-F1111 HydrophobicContact CG2-CG 3.72Å; V1096-L1114 HydrophobicContact CG2-CD2 3.41Å; V1096-L1114 VanDerWaalsContact CG2-CD2 3.41Å |
| 1097 | L | 94.3 | Very high | 86 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.2 | -40.8 | 172.1 | -69.1 | 171.3 | 0 | 0 | 0 | 111.7 | W1093 G1095 A1099 L1100 C1101 L1129 V1133 L1142 L1147 | W1093-L1097 WeakPolarHBondContact O-CB 3.35Å; W1093-L1097 VanDerWaalsContact O-CG 3.23Å; W1093-L1097 WeakPolarHBondContact O-CG 3.37Å; W1093-L1097 PolarHBondContact O-N 3.17Å; G1095-L1097 VanDerWaalsContact C-N 3.34Å; G1095-L1097 PolarHBondContact O-N 2.87Å; L1097-A1099 VanDerWaalsContact C-N 3.26Å; L1097-A1099 PolarHBondContact O-N 3.31Å; L1097-L1100 PolarHBondContact O-N 2.89Å; L1097-C1101 VanDerWaalsContact O-CB 3.27Å; L1097-C1101 WeakPolarHBondContact O-CB 3.28Å; L1097-C1101 PolarHBondContact O-N 3.07Å; L1097-C1101 PolarHBondContact O-SG 2.95Å; L1097-L1129 HydrophobicContact CD2-CD1 4.24Å; L1097-V1133 HydrophobicContact CD1-CG1 4.38Å; L1097-V1133 HydrophobicContact CD1-CG2 3.81Å; L1097-V1133 HydrophobicContact CD2-CG2 3.51Å; L1097-V1133 HydrophobicContact CG-CG2 4.33Å; L1097-L1142 HydrophobicContact CD1-CD1 3.62Å; L1097-L1147 HydrophobicContact CB-CD1 4.08Å; L1097-L1147 HydrophobicContact CD1-CD1 3.9Å |
| 1098 | K | 92.7 | Very high | 84.9 | Confident | 40 Ų | 40 | 28.8 Ų | 28.8 | 17% | 0.174 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.3 | -42.2 | 167.9 | 171.3 | -171.5 | 168.8 | -160.1 | 0 | 110.7 | P1011 E1013 L1094 G1095 C1102 A1151 | P1011-K1098 HydrophobicContact CB-CB 4.47Å; P1011-K1098 HydrophobicContact CB-CD 3.72Å; P1011-K1098 HydrophobicContact CG-CD 3.7Å; E1013-K1098 IonicContact OE1-NZ 3.22Å; E1013-K1098 PolarHBondContact OE1-NZ 2.9Å; L1094-K1098 WeakPolarHBondContact O-CB 3.42Å; L1094-K1098 PolarHBondContact O-N 3.5Å; G1095-K1098 WeakPolarHBondContact O-CB 3.47Å; G1095-K1098 PolarHBondContact O-N 2.88Å; K1098-C1102 WeakPolarHBondContact O-CB 3.42Å; K1098-C1102 PolarHBondContact O-N 2.96Å; K1098-C1102 PolarHBondContact O-SG 3.09Å; K1098-A1151 HydrophobicContact CB-CB 4.15Å |
| 1099 | A | 91.4 | Very high | 83.9 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66 | -46.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G1095 V1096 L1097 C1102 S1103 C1109 F1111 L1115 | G1095-A1099 PolarHBondContact O-N 3.43Å; V1096-A1099 WeakPolarHBondContact O-CB 3.36Å; V1096-A1099 PolarHBondContact O-N 2.87Å; L1097-A1099 VanDerWaalsContact C-N 3.26Å; L1097-A1099 PolarHBondContact O-N 3.31Å; A1099-C1102 CarbonylContact O-C 3.27Å; A1099-C1102 PolarHBondContact O-N 3.48Å; A1099-S1103 WeakPolarHBondContact O-CA 3.45Å; A1099-S1103 PolarHBondContact O-N 3.33Å; A1099-S1103 VanDerWaalsContact O-N 3.12Å; A1099-C1109 HydrophobicContact CB-CB 3.82Å; A1099-F1111 HydrophobicContact CB-CB 4.37Å; A1099-L1115 HydrophobicContact CB-CD1 4.29Å |
| 1100 | L | 92.3 | Very high | 83.4 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.8 | -39.9 | 176.3 | -70.6 | 167.2 | 0 | 0 | 0 | 112.2 | L1059 V1096 L1097 L1114 L1115 V1118 V1120 L1129 L1172 | L1059-L1100 HydrophobicContact CD1-CD1 4.32Å; V1096-L1100 WeakPolarHBondContact O-CG 3.38Å; V1096-L1100 PolarHBondContact O-N 3.27Å; L1097-L1100 PolarHBondContact O-N 2.89Å; L1100-L1114 HydrophobicContact CD1-CD2 4.24Å; L1100-L1114 HydrophobicContact CD2-CD2 4.36Å; L1100-L1114 HydrophobicContact CG-CD2 4.46Å; L1100-L1115 HydrophobicContact CD2-CD2 4.11Å; L1100-V1118 HydrophobicContact CD2-CG1 4.49Å; L1100-V1120 HydrophobicContact CD2-CG2 4.1Å; L1100-L1129 HydrophobicContact CD1-CD2 3.96Å; L1100-L1172 HydrophobicContact CB-CD2 4.13Å |
| 1101 | C | 92.1 | Very high | 83.3 | Confident | 6 Ų | 6 | 25.9 Ų | 25.9 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -73.3 | -28.2 | 178.5 | -63.4 | 0 | 0 | 0 | 0 | 112.9 | L1097 A1151 S1155 G1169 T1173 | L1097-C1101 VanDerWaalsContact O-CB 3.27Å; L1097-C1101 WeakPolarHBondContact O-CB 3.28Å; L1097-C1101 PolarHBondContact O-N 3.07Å; L1097-C1101 PolarHBondContact O-SG 2.95Å; C1101-A1151 HydrophobicContact CB-CB 4.46Å; C1101-S1155 VanDerWaalsContact O-CB 3.24Å; C1101-S1155 WeakPolarHBondContact O-CB 3.48Å; C1101-S1155 PolarHBondContact O-OG 3.34Å; C1101-G1169 CarbonylContact O-C 3.16Å; C1101-G1169 VanDerWaalsContact O-CA 3.32Å; C1101-G1169 WeakPolarHBondContact O-CA 3.31Å; C1101-T1173 VanDerWaalsContact CB-OG1 3.28Å; C1101-T1173 WeakPolarHBondContact CB-OG1 3.3Å; C1101-T1173 PolarHBondContact SG-OG1 3.07Å; C1101-T1173 VanDerWaalsContact SG-OG1 3.4Å |
| 1102 | C | 89 | Confident | 83 | Confident | 8 Ų | 8 | 27.4 Ų | 27.4 | 5% | 0.054 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 37.3 | -177.6 | -54.3 | 0 | 0 | 0 | 0 | 112.4 | K1098 A1099 S1104 N1105 C1109 | K1098-C1102 WeakPolarHBondContact O-CB 3.42Å; K1098-C1102 PolarHBondContact O-N 2.96Å; K1098-C1102 PolarHBondContact O-SG 3.09Å; A1099-C1102 CarbonylContact O-C 3.27Å; A1099-C1102 PolarHBondContact O-N 3.48Å; C1102-S1104 PolarHBondContact O-N 3.33Å; C1102-S1104 VanDerWaalsContact O-N 3.07Å; C1102-N1105 PolarHBondContact O-N 2.95Å; C1102-N1105 VanDerWaalsContact O-N 3.13Å; C1102-C1109 PolarHBondContact O-SG 3.24Å; C1102-C1109 VanDerWaalsContact O-SG 3.33Å |
| 1103 | S | 81.2 | Confident | 82.7 | Confident | 39 Ų | 39 | 29.7 Ų | 29.7 | 27% | 0.273 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -26 | -171.6 | 54 | 0 | 0 | 0 | 0 | 114.9 | A1099 N1105 | A1099-S1103 WeakPolarHBondContact O-CA 3.45Å; A1099-S1103 PolarHBondContact O-N 3.33Å; A1099-S1103 VanDerWaalsContact O-N 3.12Å; S1103-N1105 VanDerWaalsContact C-N 3.27Å; S1103-N1105 PolarHBondContact O-N 2.9Å |
| 1104 | S | 71.8 | Confident | 82.3 | Confident | 32 Ų | 32 | 29.7 Ų | 29.7 | 22% | 0.224 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -12.8 | 177.7 | 55.6 | 0 | 0 | 0 | 0 | 115.6 | C1102 N1106 | C1102-S1104 PolarHBondContact O-N 3.33Å; C1102-S1104 VanDerWaalsContact O-N 3.07Å; S1104-N1106 PolarHBondContact O-N 3.01Å |
| 1105 | N | 62.7 | Low | 81.9 | Confident | 67 Ų | 67 | 31.7 Ų | 31.7 | 36% | 0.358 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -84 | 54.4 | -170.5 | -93 | 34.6 | 0 | 0 | 0 | 114 | C1102 S1103 G1107 T1108 C1109 N1158 | C1102-N1105 PolarHBondContact O-N 2.95Å; C1102-N1105 VanDerWaalsContact O-N 3.13Å; S1103-N1105 VanDerWaalsContact C-N 3.27Å; S1103-N1105 PolarHBondContact O-N 2.9Å; N1105-G1107 PolarHBondContact O-N 3.16Å; N1105-T1108 PolarHBondContact O-N 3.3Å; N1105-T1108 PolarHBondContact O-OG1 2.73Å; N1105-C1109 VanDerWaalsContact CB-SG 3.59Å; N1105-N1158 PolarHBondContact OD1-ND2 2.71Å |
| 1106 | N | 53.5 | Low | 81.7 | Confident | 160 Ų | 160 | 36.9 Ų | 36.9 | 86% | 0.856 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 17.4 | 72.2 | 167.8 | -77.6 | -16.1 | 0 | 0 | 0 | 116.1 | S1104 T1108 | S1104-N1106 PolarHBondContact O-N 3.01Å; N1106-T1108 VanDerWaalsContact C-N 3.31Å; N1106-T1108 PolarHBondContact O-N 2.84Å |
| 1107 | G | 57.5 | Low | 81.4 | Confident | 51 Ų | 51 | 40.8 Ų | 40.8 | 53% | 0.526 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 0.9 | 170 | 0 | 0 | 0 | 0 | 0 | 117 | N1105 | N1105-G1107 PolarHBondContact O-N 3.16Š|
| 1108 | T | 64 | Low | 81 | Confident | 92 Ų | 92 | 41 Ų | 41 | 56% | 0.564 | 25% | 0.248 | S | C | * | . | trans | -85.4 | -7.9 | -178 | 58.9 | 0 | 0 | 0 | 0 | 114.7 | N1105 N1106 | N1105-T1108 PolarHBondContact O-N 3.3Å; N1105-T1108 PolarHBondContact O-OG1 2.73Å; N1106-T1108 VanDerWaalsContact C-N 3.31Å; N1106-T1108 PolarHBondContact O-N 2.84Å | ||
| 1109 | C | 67.7 | Low | 80.8 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.034 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -89.6 | -13.6 | -160.7 | -55 | 0 | 0 | 0 | 0 | 116.5 | A1099 C1102 N1105 | A1099-C1109 HydrophobicContact CB-CB 3.82Å; C1102-C1109 PolarHBondContact O-SG 3.24Å; C1102-C1109 VanDerWaalsContact O-SG 3.33Å; N1105-C1109 VanDerWaalsContact CB-SG 3.59Å |
| 1110 | G | 82.5 | Confident | 80.7 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 82.2 | 174 | -160.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1015 N1112 | N1015-G1110 WeakPolarHBondContact ND2-CA 3.25Å; G1110-N1112 VanDerWaalsContact C-N 3.29Å; G1110-N1112 PolarHBondContact O-N 3.15Å |
| 1111 | F | 90.5 | Very high | 80.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | 54.4 | 37 | 168.3 | -57.7 | -91.5 | 0 | 0 | 0 | 115.4 | S1014 N1015 Y1052 V1055 E1092 V1096 A1099 D1113 L1114 L1115 | S1014-F1111 PolarHBondContact O-N 2.8Å; N1015-F1111 PolarHBondContact OD1-N 2.83Å; Y1052-F1111 AromaticContact CD2-CD1 3.69Å; Y1052-F1111 HydrophobicContact CD2-CD1 3.69Å; Y1052-F1111 AromaticContact CD2-CE1 3.52Å; Y1052-F1111 HydrophobicContact CD2-CE1 3.52Å; Y1052-F1111 HydrophobicContact CD2-CZ 4.24Å; Y1052-F1111 HydrophobicContact CE2-CB 4.4Å; Y1052-F1111 AromaticContact CE2-CD1 3.44Å; Y1052-F1111 HydrophobicContact CE2-CD1 3.44Å; Y1052-F1111 VanDerWaalsContact CE2-CD1 3.44Å; Y1052-F1111 AromaticContact CE2-CE1 3.78Å; Y1052-F1111 HydrophobicContact CE2-CE1 3.78Å; Y1052-F1111 AromaticContact CE2-CG 3.99Å; Y1052-F1111 HydrophobicContact CE2-CG 3.99Å; V1055-F1111 HydrophobicContact CB-CE1 4.4Å; V1055-F1111 HydrophobicContact CG1-CD1 4.4Å; V1055-F1111 HydrophobicContact CG1-CE1 3.82Å; E1092-F1111 HydrophobicContact CB-CZ 4.22Å; E1092-F1111 WeakPolarHBondContact O-CZ 3.46Å; V1096-F1111 HydrophobicContact CB-CB 4.4Å; V1096-F1111 HydrophobicContact CB-CD1 3.81Å; V1096-F1111 HydrophobicContact CB-CD2 3.82Å; V1096-F1111 HydrophobicContact CB-CE1 3.99Å; V1096-F1111 HydrophobicContact CB-CE2 4.03Å; V1096-F1111 HydrophobicContact CB-CG 3.73Å; V1096-F1111 HydrophobicContact CB-CZ 4.11Å; V1096-F1111 HydrophobicContact CG2-CB 3.91Å; V1096-F1111 HydrophobicContact CG2-CD1 3.8Å; V1096-F1111 HydrophobicContact CG2-CD2 4.28Å; V1096-F1111 HydrophobicContact CG2-CE1 4.43Å; V1096-F1111 HydrophobicContact CG2-CG 3.72Å; A1099-F1111 HydrophobicContact CB-CB 4.37Å; F1111-D1113 PolarHBondContact O-N 3.29Å; F1111-L1114 PolarHBondContact O-N 2.93Å; F1111-L1114 VanDerWaalsContact O-N 3.11Å; F1111-L1115 PolarHBondContact O-N 3.32Å | ||
| 1112 | N | 87.7 | Confident | 80.3 | Confident | 59 Ų | 59 | 51 Ų | 51 | 32% | 0.316 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.6 | -33.7 | -178.6 | -73.3 | -56.1 | 0 | 0 | 0 | 113 | N1015 G1110 L1114 L1115 C1116 | N1015-N1112 PolarHBondContact ND2-ND2 3.45Å; N1015-N1112 WeakPolarHBondContact OD1-CB 3.43Å; N1015-N1112 PolarHBondContact OD1-N 3.32Å; N1015-N1112 PolarHBondContact OD1-ND2 2.94Å; G1110-N1112 VanDerWaalsContact C-N 3.29Å; G1110-N1112 PolarHBondContact O-N 3.15Å; N1112-L1114 PolarHBondContact O-N 2.76Å; N1112-L1115 PolarHBondContact O-N 3.26Å; N1112-C1116 PolarHBondContact O-N 3.49Å; N1112-C1116 PolarHBondContact O-SG 2.84Å |
| 1113 | D | 87.9 | Confident | 80.2 | Confident | 56 Ų | 56 | 53.7 Ų | 53.7 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 177.2 | -63.3 | -76.2 | 0 | 0 | 0 | 112 | W1018 Y1052 F1111 C1116 N1117 | W1018-D1113 HydrophobicContact CB-CB 4.05Å; W1018-D1113 HydrophobicContact CD2-CB 4.25Å; W1018-D1113 HydrophobicContact CE3-CB 3.94Å; W1018-D1113 HydrophobicContact CG-CB 4.33Å; Y1052-D1113 VanDerWaalsContact CE1-OD2 3.32Å; Y1052-D1113 WeakPolarHBondContact CE1-OD2 3.35Å; Y1052-D1113 PolarHBondContact OH-OD2 3.07Å; F1111-D1113 PolarHBondContact O-N 3.29Å; D1113-C1116 PolarHBondContact O-N 2.78Å; D1113-N1117 PolarHBondContact O-ND2 3.34Å |
| 1114 | L | 88.1 | Confident | 80.4 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.3 | -43.6 | 177.9 | -172.4 | 72 | 0 | 0 | 0 | 111 | L1059 M1060 V1096 L1100 F1111 N1112 C1116 N1117 V1118 | L1059-L1114 HydrophobicContact CB-CD1 4.2Å; L1059-L1114 HydrophobicContact CB-CD2 3.93Å; L1059-L1114 HydrophobicContact CD1-CD2 3.82Å; M1060-L1114 HydrophobicContact CG-CD1 3.82Å; M1060-L1114 HydrophobicContact SD-CD1 3.76Å; V1096-L1114 HydrophobicContact CG2-CD2 3.41Å; V1096-L1114 VanDerWaalsContact CG2-CD2 3.41Å; L1100-L1114 HydrophobicContact CD1-CD2 4.24Å; L1100-L1114 HydrophobicContact CD2-CD2 4.36Å; L1100-L1114 HydrophobicContact CG-CD2 4.46Å; F1111-L1114 PolarHBondContact O-N 2.93Å; F1111-L1114 VanDerWaalsContact O-N 3.11Å; N1112-L1114 PolarHBondContact O-N 2.76Å; L1114-C1116 PolarHBondContact O-N 3.3Å; L1114-N1117 PolarHBondContact O-N 2.94Å; L1114-V1118 HydrophobicContact CD1-CG2 3.76Å; L1114-V1118 HydrophobicContact CG-CG2 4.08Å; L1114-V1118 PolarHBondContact O-N 2.81Å |
| 1115 | L | 86.8 | Confident | 81.3 | Confident | 42 Ų | 42 | 52.7 Ų | 52.7 | 22% | 0.22 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.7 | -23.4 | 177.2 | -66.8 | 177.6 | 0 | 0 | 0 | 113.3 | A1099 L1100 F1111 N1112 | A1099-L1115 HydrophobicContact CB-CD1 4.29Å; L1100-L1115 HydrophobicContact CD2-CD2 4.11Å; F1111-L1115 PolarHBondContact O-N 3.32Å; N1112-L1115 PolarHBondContact O-N 3.26Å |
| 1116 | C | 87.8 | Confident | 82.6 | Confident | 108 Ų | 108 | 49.9 Ų | 49.9 | 73% | 0.73 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -10.5 | 173.2 | -66.5 | 0 | 0 | 0 | 0 | 114 | N1112 D1113 L1114 | N1112-C1116 PolarHBondContact O-N 3.49Å; N1112-C1116 PolarHBondContact O-SG 2.84Å; D1113-C1116 PolarHBondContact O-N 2.78Å; L1114-C1116 PolarHBondContact O-N 3.3Å |
| 1117 | N | 87.4 | Confident | 84.3 | Confident | 84 Ų | 84 | 44.1 Ų | 44.1 | 45% | 0.449 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -16.2 | -175.9 | -72.5 | -88.1 | 0 | 0 | 0 | 114 | M1060 D1113 L1114 | M1060-N1117 HydrophobicContact CE-CB 4.01Å; M1060-N1117 HydrophobicContact SD-CB 3.84Å; D1113-N1117 PolarHBondContact O-ND2 3.34Å; L1114-N1117 PolarHBondContact O-N 2.94Å |
| 1118 | V | 87.6 | Confident | 85.9 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | trans | -115.2 | 112.6 | 178 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | M1060 C1063 V1064 L1100 L1114 V1120 F1125 | M1060-V1118 HydrophobicContact SD-CG2 3.75Å; C1063-V1118 HydrophobicContact CB-CG1 3.88Å; C1063-V1118 HydrophobicContact CB-CG2 4.03Å; V1064-V1118 HydrophobicContact CG2-CG2 4.21Å; L1100-V1118 HydrophobicContact CD2-CG1 4.49Å; L1114-V1118 HydrophobicContact CD1-CG2 3.76Å; L1114-V1118 HydrophobicContact CG-CG2 4.08Å; L1114-V1118 PolarHBondContact O-N 2.81Å; V1118-V1120 PolarHBondContact O-N 3.44Å; V1118-F1125 HydrophobicContact CG1-CE1 4.07Å; V1118-F1125 HydrophobicContact CG1-CE2 4.33Å; V1118-F1125 HydrophobicContact CG1-CZ 3.76Å | ||
| 1119 | D | 88.1 | Confident | 87.3 | Confident | 105 Ų | 105 | 37.3 Ų | 37.3 | 56% | 0.561 | 22% | 0.216 | S | C | * | . | trans | -76.9 | 106.1 | 170.8 | -174.2 | -14.3 | 0 | 0 | 0 | 110 | S1121 D1122 F1125 | D1119-S1121 VanDerWaalsContact CG-OG 3.25Å; D1119-S1121 PolarHBondContact O-N 3.28Å; D1119-S1121 VanDerWaalsContact O-N 3.11Å; D1119-S1121 VanDerWaalsContact OD1-CB 3.27Å; D1119-S1121 WeakPolarHBondContact OD1-CB 3.45Å; D1119-S1121 PolarHBondContact OD1-N 3.3Å; D1119-S1121 PolarHBondContact OD1-OG 2.84Å; D1119-S1121 PolarHBondContact OD2-OG 3.16Å; D1119-D1122 PolarHBondContact O-N 3.31Å; D1119-D1122 VanDerWaalsContact O-N 3.15Å; D1119-F1125 WeakPolarHBondContact O-CE1 3.49Å | ||
| 1120 | V | 88.9 | Confident | 88.5 | Confident | 9 Ų | 9 | 37.1 Ų | 37.1 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -17.9 | -179.1 | -174.7 | 0 | 0 | 0 | 0 | 112.6 | L1100 V1118 H1126 P1168 L1172 | L1100-V1120 HydrophobicContact CD2-CG2 4.1Å; V1118-V1120 PolarHBondContact O-N 3.44Å; V1120-H1126 PolarHBondContact O-NE2 3.07Å; V1120-H1126 VanDerWaalsContact O-NE2 3.12Å; V1120-P1168 HydrophobicContact CB-CB 4.18Å; V1120-P1168 HydrophobicContact CG1-CB 4.04Å; V1120-L1172 HydrophobicContact CG1-CB 4.34Å; V1120-L1172 HydrophobicContact CG1-CD2 4.04Å |
| 1121 | S | 87.4 | Confident | 89 | Confident | 64 Ų | 64 | 37 Ų | 37 | 45% | 0.448 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -16.2 | 177.7 | 77.3 | 0 | 0 | 0 | 0 | 114.3 | D1119 L1123 | D1119-S1121 VanDerWaalsContact CG-OG 3.25Å; D1119-S1121 PolarHBondContact O-N 3.28Å; D1119-S1121 VanDerWaalsContact O-N 3.11Å; D1119-S1121 VanDerWaalsContact OD1-CB 3.27Å; D1119-S1121 WeakPolarHBondContact OD1-CB 3.45Å; D1119-S1121 PolarHBondContact OD1-N 3.3Å; D1119-S1121 PolarHBondContact OD1-OG 2.84Å; D1119-S1121 PolarHBondContact OD2-OG 3.16Å; S1121-L1123 PolarHBondContact O-N 2.76Å |
| 1122 | D | 88.3 | Confident | 89.2 | Confident | 80 Ų | 80 | 37.1 Ų | 37.1 | 43% | 0.428 | 21% | 0.214 | S | C | . | . | trans | -72.4 | 121.1 | 171.7 | -175 | 10.9 | 0 | 0 | 0 | 110.6 | D1119 S1124 F1125 H1126 | D1119-D1122 PolarHBondContact O-N 3.31Å; D1119-D1122 VanDerWaalsContact O-N 3.15Å; D1122-S1124 VanDerWaalsContact C-N 3.27Å; D1122-S1124 PolarHBondContact O-N 3.39Å; D1122-S1124 VanDerWaalsContact OD1-CB 3.3Å; D1122-S1124 WeakPolarHBondContact OD1-CB 3.41Å; D1122-S1124 PolarHBondContact OD1-N 3.18Å; D1122-S1124 PolarHBondContact OD1-OG 2.96Å; D1122-S1124 VanDerWaalsContact OD2-CB 3.32Å; D1122-S1124 WeakPolarHBondContact OD2-CB 3.37Å; D1122-S1124 PolarHBondContact OD2-OG 3.24Å; D1122-F1125 HydrophobicContact CB-CD1 4.49Å; D1122-F1125 HydrophobicContact CB-CE1 4.29Å; D1122-F1125 WeakPolarHBondContact O-CD1 3.21Å; D1122-F1125 WeakPolarHBondContact O-CE1 3.38Å; D1122-H1126 PolarHBondContact O-CD2 3.23Å; D1122-H1126 PolarHBondContact O-NE2 3.22Å | ||
| 1123 | L | 87.3 | Confident | 89.5 | Confident | 64 Ų | 64 | 34.3 Ų | 34.3 | 34% | 0.335 | 20% | 0.199 | S | C | . | . | trans | -76.5 | -14.7 | 179.6 | -54.2 | 179.5 | 0 | 0 | 0 | 112.7 | S1121 F1125 H1126 R1171 T1273 | S1121-L1123 PolarHBondContact O-N 2.76Å; L1123-F1125 VanDerWaalsContact C-N 3.29Å; L1123-F1125 PolarHBondContact O-N 3.08Å; L1123-H1126 PolarHBondContact O-N 3.29Å; L1123-R1171 HydrophobicContact CD2-CG 4.4Å; L1123-T1273 HydrophobicContact CD1-CG2 4Å | ||
| 1124 | S | 85.5 | Confident | 89.8 | Confident | 47 Ų | 47 | 31.6 Ų | 31.6 | 33% | 0.329 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -40.8 | -171 | 70.1 | 0 | 0 | 0 | 0 | 113.9 | H1067 D1122 | H1067-S1124 PolarHBondContact CE1-OG 2.99Å; D1122-S1124 VanDerWaalsContact C-N 3.27Å; D1122-S1124 PolarHBondContact O-N 3.39Å; D1122-S1124 VanDerWaalsContact OD1-CB 3.3Å; D1122-S1124 WeakPolarHBondContact OD1-CB 3.41Å; D1122-S1124 PolarHBondContact OD1-N 3.18Å; D1122-S1124 PolarHBondContact OD1-OG 2.96Å; D1122-S1124 VanDerWaalsContact OD2-CB 3.32Å; D1122-S1124 WeakPolarHBondContact OD2-CB 3.37Å; D1122-S1124 PolarHBondContact OD2-OG 3.24Å |
| 1125 | F | 89.8 | Confident | 90.1 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -3.3 | -174.4 | 71.9 | -90 | 0 | 0 | 0 | 114.4 | C1063 V1118 D1119 D1122 L1123 D1127 S1128 L1129 | C1063-F1125 HydrophobicContact CB-CB 4.42Å; C1063-F1125 HydrophobicContact CB-CD1 4.46Å; C1063-F1125 HydrophobicContact CB-CD2 3.89Å; C1063-F1125 HydrophobicContact CB-CE2 4.27Å; C1063-F1125 HydrophobicContact CB-CG 4Å; C1063-F1125 WeakPolarHBondContact O-CB 3.32Å; V1118-F1125 HydrophobicContact CG1-CE1 4.07Å; V1118-F1125 HydrophobicContact CG1-CE2 4.33Å; V1118-F1125 HydrophobicContact CG1-CZ 3.76Å; D1119-F1125 WeakPolarHBondContact O-CE1 3.49Å; D1122-F1125 HydrophobicContact CB-CD1 4.49Å; D1122-F1125 HydrophobicContact CB-CE1 4.29Å; D1122-F1125 WeakPolarHBondContact O-CD1 3.21Å; D1122-F1125 WeakPolarHBondContact O-CE1 3.38Å; L1123-F1125 VanDerWaalsContact C-N 3.29Å; L1123-F1125 PolarHBondContact O-N 3.08Å; F1125-D1127 VanDerWaalsContact C-N 3.25Å; F1125-D1127 PolarHBondContact O-N 3.4Å; F1125-S1128 WeakPolarHBondContact O-CB 3.35Å; F1125-S1128 PolarHBondContact O-N 3.36Å; F1125-L1129 HydrophobicContact CD2-CB 4.11Å; F1125-L1129 HydrophobicContact CD2-CD2 4.29Å; F1125-L1129 HydrophobicContact CE2-CD2 3.93Å; F1125-L1129 PolarHBondContact O-N 3.15Å |
| 1126 | H | 91.2 | Very high | 90.5 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.7 | -35.7 | -173.3 | -78.1 | -149.3 | 0 | 0 | 0 | 112 | V1120 D1122 L1123 A1130 L1172 R1175 | V1120-H1126 PolarHBondContact O-NE2 3.07Å; V1120-H1126 VanDerWaalsContact O-NE2 3.12Å; D1122-H1126 PolarHBondContact O-CD2 3.23Å; D1122-H1126 PolarHBondContact O-NE2 3.22Å; L1123-H1126 PolarHBondContact O-N 3.29Å; H1126-A1130 WeakPolarHBondContact O-CB 3.12Å; H1126-A1130 PolarHBondContact O-N 3.42Å; H1126-L1172 HydrophobicContact CB-CD1 4.21Å; H1126-R1175 HydrophobicContact CB-CB 4.47Å; H1126-R1175 HydrophobicContact CB-CG 4.07Å |
| 1127 | D | 88.6 | Confident | 90.9 | Very high | 38 Ų | 38 | 24.5 Ų | 24.5 | 20% | 0.203 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -73.4 | -36.3 | 174.1 | -80.2 | -36.7 | 0 | 0 | 0 | 113.6 | F1125 T1131 R1175 V1198 | F1125-D1127 VanDerWaalsContact C-N 3.25Å; F1125-D1127 PolarHBondContact O-N 3.4Å; D1127-T1131 VanDerWaalsContact O-CB 3.32Å; D1127-T1131 WeakPolarHBondContact O-CB 3.43Å; D1127-T1131 PolarHBondContact O-N 2.97Å; D1127-T1131 PolarHBondContact O-OG1 2.88Å; D1127-R1175 VanDerWaalsContact CG-NH2 3.25Å; D1127-R1175 IonicContact OD1-CZ 3.78Å; D1127-R1175 VanDerWaalsContact OD1-CZ 3.22Å; D1127-R1175 IonicContact OD1-NE 2.68Å; D1127-R1175 PolarHBondContact OD1-NE 3.45Å; D1127-R1175 IonicContact OD1-NH2 2.7Å; D1127-R1175 PolarHBondContact OD1-NH2 3.03Å; D1127-R1175 IonicContact OD2-CZ 2.67Å; D1127-R1175 IonicContact OD2-NE 2.65Å; D1127-R1175 IonicContact OD2-NH2 2.75Å; D1127-R1175 PolarHBondContact OD2-NH2 3.23Å; D1127-V1198 HydrophobicContact CB-CB 4.17Å |
| 1128 | S | 91.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.007 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.3 | -45.8 | 174.9 | -64.7 | 0 | 0 | 0 | 0 | 111.3 | V1072 F1125 T1131 F1132 | V1072-S1128 WeakPolarHBondContact CG1-O 2.98Å; F1125-S1128 WeakPolarHBondContact O-CB 3.35Å; F1125-S1128 PolarHBondContact O-N 3.36Å; S1128-T1131 PolarHBondContact O-N 3.42Å; S1128-F1132 WeakPolarHBondContact O-CB 3.15Å; S1128-F1132 PolarHBondContact O-N 2.73Å |
| 1129 | L | 93.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.6 | -40.4 | 177.2 | -177.6 | 55.2 | 0 | 0 | 0 | 111.9 | L1059 V1062 L1097 L1100 F1125 T1131 F1132 V1133 L1172 | L1059-L1129 HydrophobicContact CD2-CD1 3.62Å; V1062-L1129 HydrophobicContact CG1-CB 4.34Å; V1062-L1129 HydrophobicContact CG1-CD1 4.44Å; L1097-L1129 HydrophobicContact CD2-CD1 4.24Å; L1100-L1129 HydrophobicContact CD1-CD2 3.96Å; F1125-L1129 HydrophobicContact CD2-CB 4.11Å; F1125-L1129 HydrophobicContact CD2-CD2 4.29Å; F1125-L1129 HydrophobicContact CE2-CD2 3.93Å; F1125-L1129 PolarHBondContact O-N 3.15Å; L1129-T1131 VanDerWaalsContact C-N 3.32Å; L1129-T1131 PolarHBondContact O-N 2.85Å; L1129-F1132 HydrophobicContact CD1-CD1 4.21Å; L1129-F1132 PolarHBondContact O-N 3.04Å; L1129-V1133 HydrophobicContact CD1-CG2 4.16Å; L1129-V1133 WeakPolarHBondContact O-CB 3.49Å; L1129-V1133 VanDerWaalsContact O-CG2 3.28Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.36Å; L1129-V1133 PolarHBondContact O-N 2.98Å; L1129-L1172 HydrophobicContact CD2-CD1 4.09Å; L1129-L1172 HydrophobicContact CD2-CD2 3.96Å |
| 1130 | A | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H1126 A1134 I1176 H1179 | H1126-A1130 WeakPolarHBondContact O-CB 3.12Å; H1126-A1130 PolarHBondContact O-N 3.42Å; A1130-A1134 VanDerWaalsContact O-CB 3.26Å; A1130-A1134 WeakPolarHBondContact O-CB 3.2Å; A1130-A1134 PolarHBondContact O-N 3.46Å; A1130-I1176 HydrophobicContact CB-CG1 4.19Å; A1130-H1179 HydrophobicContact CB-CB 3.78Å |
| 1131 | T | 91.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.2 | -45.5 | 175.4 | -58 | 0 | 0 | 0 | 0 | 111.7 | D1127 S1128 L1129 V1133 A1134 I1135 H1179 V1198 G1199 I1200 | D1127-T1131 VanDerWaalsContact O-CB 3.32Å; D1127-T1131 WeakPolarHBondContact O-CB 3.43Å; D1127-T1131 PolarHBondContact O-N 2.97Å; D1127-T1131 PolarHBondContact O-OG1 2.88Å; S1128-T1131 PolarHBondContact O-N 3.42Å; L1129-T1131 VanDerWaalsContact C-N 3.32Å; L1129-T1131 PolarHBondContact O-N 2.85Å; T1131-V1133 PolarHBondContact O-N 3.37Å; T1131-A1134 PolarHBondContact O-N 2.73Å; T1131-I1135 HydrophobicContact CG2-CD1 4.09Å; T1131-I1135 WeakPolarHBondContact O-CG1 3.45Å; T1131-I1135 PolarHBondContact O-N 3.14Å; T1131-H1179 PolarHBondContact OG1-CE1 3.41Å; T1131-H1179 VanDerWaalsContact OG1-CE1 3.29Å; T1131-V1198 HydrophobicContact CG2-CG1 4.35Å; T1131-V1198 PolarHBondContact OG1-O 2.67Å; T1131-G1199 VanDerWaalsContact CG2-C 3.5Å; T1131-G1199 WeakPolarHBondContact OG1-CA 3.25Å; T1131-G1199 PolarHBondContact OG1-N 2.83Å; T1131-I1200 HydrophobicContact CG2-CG1 4.24Å |
| 1132 | F | 94.6 | Very high | 92 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 0% | 0.004 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.8 | -48.2 | 176.1 | 174.9 | -93.9 | 0 | 0 | 0 | 111.8 | L1059 V1062 V1072 I1075 A1076 C1079 W1093 S1128 L1129 A1134 I1135 L1136 | L1059-F1132 HydrophobicContact CD2-CD1 4.21Å; L1059-F1132 HydrophobicContact CD2-CE1 3.94Å; V1062-F1132 HydrophobicContact CG1-CB 4.17Å; V1062-F1132 HydrophobicContact CG1-CG 4.5Å; V1062-F1132 HydrophobicContact CG2-CD2 3.87Å; V1062-F1132 HydrophobicContact CG2-CE2 4.33Å; V1062-F1132 HydrophobicContact CG2-CG 4.25Å; V1072-F1132 HydrophobicContact CG1-CB 4.45Å; I1075-F1132 HydrophobicContact CG2-CE2 4.14Å; A1076-F1132 HydrophobicContact CB-CD2 3.64Å; A1076-F1132 HydrophobicContact CB-CE2 4.21Å; A1076-F1132 HydrophobicContact CB-CG 4.39Å; C1079-F1132 HydrophobicContact CB-CE2 4.01Å; C1079-F1132 HydrophobicContact CB-CZ 4.12Å; W1093-F1132 HydrophobicContact CE3-CE1 4.29Å; W1093-F1132 HydrophobicContact CE3-CZ 4.29Å; W1093-F1132 AromaticContact CH2-CZ 3.93Å; W1093-F1132 HydrophobicContact CH2-CZ 3.93Å; W1093-F1132 HydrophobicContact CZ2-CZ 4.47Å; W1093-F1132 HydrophobicContact CZ3-CE1 4.16Å; W1093-F1132 AromaticContact CZ3-CZ 3.81Å; W1093-F1132 HydrophobicContact CZ3-CZ 3.81Å; S1128-F1132 WeakPolarHBondContact O-CB 3.15Å; S1128-F1132 PolarHBondContact O-N 2.73Å; L1129-F1132 HydrophobicContact CD1-CD1 4.21Å; L1129-F1132 PolarHBondContact O-N 3.04Å; F1132-A1134 VanDerWaalsContact C-N 3.34Å; F1132-A1134 PolarHBondContact O-N 2.89Å; F1132-I1135 PolarHBondContact O-N 2.87Å; F1132-L1136 HydrophobicContact CD1-CD1 4.12Å; F1132-L1136 HydrophobicContact CE1-CD1 3.5Å; F1132-L1136 HydrophobicContact CE1-CG 4.33Å; F1132-L1136 HydrophobicContact CZ-CD1 3.81Å; F1132-L1136 HydrophobicContact CZ-CG 4.44Å; F1132-L1136 PolarHBondContact O-N 3.23Å; F1132-L1136 VanDerWaalsContact O-N 3.08Å |
| 1133 | V | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.3 | -40.9 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | L1097 L1129 T1131 I1135 L1136 I1137 L1147 I1176 L1180 | L1097-V1133 HydrophobicContact CD1-CG1 4.38Å; L1097-V1133 HydrophobicContact CD1-CG2 3.81Å; L1097-V1133 HydrophobicContact CD2-CG2 3.51Å; L1097-V1133 HydrophobicContact CG-CG2 4.33Å; L1129-V1133 HydrophobicContact CD1-CG2 4.16Å; L1129-V1133 WeakPolarHBondContact O-CB 3.49Å; L1129-V1133 VanDerWaalsContact O-CG2 3.28Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.36Å; L1129-V1133 PolarHBondContact O-N 2.98Å; T1131-V1133 PolarHBondContact O-N 3.37Å; V1133-I1135 PolarHBondContact O-N 3.31Å; V1133-L1136 PolarHBondContact O-N 3.35Å; V1133-I1137 HydrophobicContact CG1-CD1 4.05Å; V1133-I1137 PolarHBondContact O-N 3.22Å; V1133-L1147 HydrophobicContact CG1-CD2 3.59Å; V1133-I1176 HydrophobicContact CG1-CG2 4.12Å; V1133-L1180 HydrophobicContact CG1-CD1 4.24Å |
| 1134 | A | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -64.8 | -37.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1130 T1131 F1132 I1137 A1138 L1180 I1200 L1209 | A1130-A1134 VanDerWaalsContact O-CB 3.26Å; A1130-A1134 WeakPolarHBondContact O-CB 3.2Å; A1130-A1134 PolarHBondContact O-N 3.46Å; T1131-A1134 PolarHBondContact O-N 2.73Å; F1132-A1134 VanDerWaalsContact C-N 3.34Å; F1132-A1134 PolarHBondContact O-N 2.89Å; A1134-I1137 PolarHBondContact O-N 3.49Å; A1134-A1138 WeakPolarHBondContact O-CB 3.24Å; A1134-A1138 PolarHBondContact O-N 3.26Å; A1134-L1180 HydrophobicContact CB-CD2 3.7Å; A1134-I1200 HydrophobicContact CB-CD1 3.9Å; A1134-L1209 HydrophobicContact CB-CD2 4.09Å |
| 1135 | I | 94.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 9.6 Ų | 9.6 | 1% | 0.005 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -69 | -41 | 173.8 | -65.2 | 167.3 | 0 | 0 | 0 | 111.1 | N1073 A1076 I1077 T1131 F1132 V1133 I1137 A1138 R1139 I1200 | N1073-I1135 HydrophobicContact CB-CD1 4.24Å; A1076-I1135 HydrophobicContact CB-CB 3.77Å; A1076-I1135 HydrophobicContact CB-CD1 3.77Å; A1076-I1135 HydrophobicContact CB-CG1 4.37Å; A1076-I1135 HydrophobicContact CB-CG2 3.69Å; I1077-I1135 HydrophobicContact CG1-CG2 4.38Å; T1131-I1135 HydrophobicContact CG2-CD1 4.09Å; T1131-I1135 WeakPolarHBondContact O-CG1 3.45Å; T1131-I1135 PolarHBondContact O-N 3.14Å; F1132-I1135 PolarHBondContact O-N 2.87Å; V1133-I1135 PolarHBondContact O-N 3.31Å; I1135-I1137 VanDerWaalsContact C-N 3.27Å; I1135-I1137 PolarHBondContact O-N 2.88Å; I1135-A1138 PolarHBondContact O-N 2.93Å; I1135-R1139 HydrophobicContact CG2-CG 4.27Å; I1135-R1139 WeakPolarHBondContact O-CB 3.35Å; I1135-R1139 WeakPolarHBondContact O-CG 3.4Å; I1135-R1139 PolarHBondContact O-N 2.9Å; I1135-I1200 HydrophobicContact CD1-CG1 4.48Å; I1135-I1200 HydrophobicContact CG1-CD1 4.44Å; I1135-I1200 HydrophobicContact CG1-CG1 3.96Å; I1135-I1200 HydrophobicContact CG1-CG2 4.34Å |
| 1136 | L | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -62.3 | -32.7 | 174.6 | -69.8 | -176.5 | 0 | 0 | 0 | 112.8 | C1079 A1080 W1093 F1132 V1133 Q1140 C1141 L1142 | C1079-L1136 HydrophobicContact CB-CD2 4.12Å; A1080-L1136 HydrophobicContact CB-CD2 4.28Å; W1093-L1136 HydrophobicContact CD2-CD1 4.14Å; W1093-L1136 HydrophobicContact CG-CD1 4.16Å; F1132-L1136 HydrophobicContact CD1-CD1 4.12Å; F1132-L1136 HydrophobicContact CE1-CD1 3.5Å; F1132-L1136 HydrophobicContact CE1-CG 4.33Å; F1132-L1136 HydrophobicContact CZ-CD1 3.81Å; F1132-L1136 HydrophobicContact CZ-CG 4.44Å; F1132-L1136 PolarHBondContact O-N 3.23Å; F1132-L1136 VanDerWaalsContact O-N 3.08Å; V1133-L1136 PolarHBondContact O-N 3.35Å; L1136-Q1140 PolarHBondContact O-N 2.95Å; L1136-C1141 HydrophobicContact CB-CB 4.29Å; L1136-C1141 HydrophobicContact CD2-CB 4.07Å; L1136-C1141 WeakPolarHBondContact O-CA 3.27Å; L1136-C1141 VanDerWaalsContact O-CB 3.32Å; L1136-C1141 WeakPolarHBondContact O-CB 3.28Å; L1136-C1141 PolarHBondContact O-N 2.76Å; L1136-L1142 HydrophobicContact CB-CD1 4.46Å; L1136-L1142 HydrophobicContact CD1-CD1 4.46Å; L1136-L1142 PolarHBondContact O-N 2.84Å |
| 1137 | I | 94.7 | Very high | 93 | Very high | 1 Ų | 1 | 9.6 Ų | 9.6 | 1% | 0.005 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -75.2 | -41.1 | 173.9 | -73.6 | 171.5 | 0 | 0 | 0 | 111.7 | V1133 A1134 I1135 R1139 Q1140 L1142 L1144 L1147 L1180 L1209 | V1133-I1137 HydrophobicContact CG1-CD1 4.05Å; V1133-I1137 PolarHBondContact O-N 3.22Å; A1134-I1137 PolarHBondContact O-N 3.49Å; I1135-I1137 VanDerWaalsContact C-N 3.27Å; I1135-I1137 PolarHBondContact O-N 2.88Å; I1137-R1139 VanDerWaalsContact C-N 3.31Å; I1137-R1139 PolarHBondContact O-N 3.43Å; I1137-Q1140 PolarHBondContact O-N 3.33Å; I1137-L1142 HydrophobicContact CG1-CB 3.97Å; I1137-L1144 HydrophobicContact CD1-CB 4.42Å; I1137-L1144 HydrophobicContact CD1-CD1 4.04Å; I1137-L1144 HydrophobicContact CG2-CB 4.08Å; I1137-L1147 HydrophobicContact CD1-CD2 3.76Å; I1137-L1180 HydrophobicContact CD1-CD1 3.89Å; I1137-L1180 HydrophobicContact CD1-CD2 3.8Å; I1137-L1209 HydrophobicContact CG2-CD1 4.19Å |
| 1138 | A | 93.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -58.3 | -44 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1134 I1135 Q1140 L1208 L1209 | A1134-A1138 WeakPolarHBondContact O-CB 3.24Å; A1134-A1138 PolarHBondContact O-N 3.26Å; I1135-A1138 PolarHBondContact O-N 2.93Å; A1138-Q1140 PolarHBondContact O-N 3.45Å; A1138-L1208 HydrophobicContact CB-CB 3.82Å; A1138-L1209 HydrophobicContact CB-CB 4.21Å |
| 1139 | R | 93.2 | Very high | 93.3 | Very high | 21 Ų | 21 | 10.7 Ų | 10.7 | 8% | 0.079 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 14.3 | 179.1 | -65.1 | -70 | 178 | 119.3 | 2.6 | 115 | S967 A1080 I1135 I1137 C1141 D1205 | S967-R1139 PolarHBondContact OG-NH1 2.85Å; S967-R1139 VanDerWaalsContact OG-NH1 3.13Å; A1080-R1139 HydrophobicContact CB-CB 3.69Å; A1080-R1139 HydrophobicContact CB-CG 3.84Å; I1135-R1139 HydrophobicContact CG2-CG 4.27Å; I1135-R1139 WeakPolarHBondContact O-CB 3.35Å; I1135-R1139 WeakPolarHBondContact O-CG 3.4Å; I1135-R1139 PolarHBondContact O-N 2.9Å; I1137-R1139 VanDerWaalsContact C-N 3.31Å; I1137-R1139 PolarHBondContact O-N 3.43Å; R1139-C1141 PolarHBondContact O-N 3.18Å; R1139-C1141 VanDerWaalsContact O-N 3.09Å; R1139-C1141 PolarHBondContact O-SG 2.89Å; R1139-C1141 VanDerWaalsContact O-SG 3.35Å; R1139-D1205 IonicContact CZ-OD1 2.69Å; R1139-D1205 IonicContact CZ-OD2 3.17Å; R1139-D1205 IonicContact NE-OD1 3.81Å; R1139-D1205 PolarHBondContact NE-OD1 3.33Å; R1139-D1205 IonicContact NE-OD2 3.25Å; R1139-D1205 IonicContact NH2-OD1 3.37Å; R1139-D1205 PolarHBondContact NH2-OD1 2.58Å; R1139-D1205 IonicContact NH2-OD2 3.24Å; R1139-D1205 PolarHBondContact NH2-OD2 2.77Å |
| 1140 | Q | 91.6 | Very high | 93.3 | Very high | 14 Ų | 14 | 11.3 Ų | 11.3 | 7% | 0.065 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 34.7 | 177.8 | -61.6 | -79.7 | 31.5 | 0 | 0 | 113.4 | A974 I1005 Y1006 L1136 I1137 A1138 | A974-Q1140 HydrophobicContact CB-CG 4.06Å; I1005-Q1140 HydrophobicContact CG2-CB 4.24Å; Y1006-Q1140 PolarHBondContact OH-NE2 3.08Å; L1136-Q1140 PolarHBondContact O-N 2.95Å; I1137-Q1140 PolarHBondContact O-N 3.33Å; A1138-Q1140 PolarHBondContact O-N 3.45Å |
| 1141 | C | 92.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 11.3 Ų | 11.3 | 1% | 0.014 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -93.4 | -24.3 | 175 | -66.7 | 0 | 0 | 0 | 0 | 111.8 | T1083 S1090 L1136 R1139 | T1083-C1141 HydrophobicContact CG2-CB 3.75Å; S1090-C1141 VanDerWaalsContact CB-O 3.32Å; S1090-C1141 WeakPolarHBondContact CB-O 3.3Å; S1090-C1141 PolarHBondContact OG-O 3.42Å; L1136-C1141 HydrophobicContact CB-CB 4.29Å; L1136-C1141 HydrophobicContact CD2-CB 4.07Å; L1136-C1141 WeakPolarHBondContact O-CA 3.27Å; L1136-C1141 VanDerWaalsContact O-CB 3.32Å; L1136-C1141 WeakPolarHBondContact O-CB 3.28Å; L1136-C1141 PolarHBondContact O-N 2.76Å; R1139-C1141 PolarHBondContact O-N 3.18Å; R1139-C1141 VanDerWaalsContact O-N 3.09Å; R1139-C1141 PolarHBondContact O-SG 2.89Å; R1139-C1141 VanDerWaalsContact O-SG 3.35Å |
| 1142 | L | 92.8 | Very high | 93.3 | Very high | 6 Ų | 6 | 11.5 Ų | 11.5 | 3% | 0.031 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -133.6 | 146.3 | 166.3 | -70.2 | 174.2 | 0 | 0 | 0 | 109 | S1090 W1093 L1094 L1097 L1136 I1137 | S1090-L1142 WeakPolarHBondContact O-CD2 3.29Å; W1093-L1142 HydrophobicContact CB-CD1 4.18Å; W1093-L1142 HydrophobicContact CB-CD2 4.12Å; W1093-L1142 HydrophobicContact CB-CG 4.39Å; L1094-L1142 HydrophobicContact CB-CD2 3.99Å; L1094-L1142 HydrophobicContact CD1-CD2 4.49Å; L1097-L1142 HydrophobicContact CD1-CD1 3.62Å; L1136-L1142 HydrophobicContact CB-CD1 4.46Å; L1136-L1142 HydrophobicContact CD1-CD1 4.46Å; L1136-L1142 PolarHBondContact O-N 2.84Å; I1137-L1142 HydrophobicContact CG1-CB 3.97Å |
| 1143 | L | 91.9 | Very high | 93.1 | Very high | 27 Ų | 27 | 13 Ų | 13 | 14% | 0.141 | 6% | 0.062 | C | C | . | . | trans | -86.4 | 136.9 | 167.6 | -60.5 | 175.8 | 0 | 0 | 0 | 109.2 | Y1006 E1145 D1146 L1147 | Y1006-L1143 HydrophobicContact CD1-CD2 3.83Å; Y1006-L1143 HydrophobicContact CE1-CD2 4.09Å; L1143-E1145 PolarHBondContact O-N 3.38Å; L1143-D1146 HydrophobicContact CB-CB 4.16Å; L1143-D1146 PolarHBondContact O-N 2.97Å; L1143-D1146 VanDerWaalsContact O-N 3.15Å; L1143-L1147 PolarHBondContact O-N 3.23Å; L1143-L1147 VanDerWaalsContact O-N 3.11Å | ||
| 1144 | L | 92.9 | Very high | 92.9 | Very high | 11 Ų | 11 | 15.1 Ų | 15.1 | 6% | 0.058 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.2 | -37.7 | 176.8 | 178.6 | 56.3 | 0 | 0 | 0 | 111.7 | I1137 L1147 I1148 L1180 I1216 | I1137-L1144 HydrophobicContact CD1-CB 4.42Å; I1137-L1144 HydrophobicContact CD1-CD1 4.04Å; I1137-L1144 HydrophobicContact CG2-CB 4.08Å; L1144-L1147 PolarHBondContact O-N 2.81Å; L1144-I1148 HydrophobicContact CD1-CD1 4.01Å; L1144-I1148 HydrophobicContact CD1-CG1 4.44Å; L1144-I1148 HydrophobicContact CG-CD1 3.95Å; L1144-I1148 WeakPolarHBondContact O-CB 3.3Å; L1144-I1148 WeakPolarHBondContact O-CD1 3.42Å; L1144-I1148 VanDerWaalsContact O-CG1 3.26Å; L1144-I1148 WeakPolarHBondContact O-CG1 3.3Å; L1144-I1148 PolarHBondContact O-N 3.26Å; L1144-L1180 HydrophobicContact CD1-CB 4.26Å; L1144-L1180 HydrophobicContact CD1-CD1 3.87Å; L1144-I1216 HydrophobicContact CD2-CB 4.36Å; L1144-I1216 HydrophobicContact CD2-CD1 3.87Å; L1144-I1216 HydrophobicContact CD2-CG1 4.36Å; L1144-I1216 HydrophobicContact CG-CD1 4.03Å |
| 1145 | E | 91.2 | Very high | 92.7 | Very high | 68 Ų | 68 | 15.3 Ų | 15.3 | 32% | 0.318 | 8% | 0.077 | S | C | . | . | H | α-helix | trans | -64.4 | -42.3 | 175.6 | -69.2 | 166.7 | -155.8 | 0 | 0 | 112.5 | L1143 I1148 R1149 I1216 V1217 A1220 | L1143-E1145 PolarHBondContact O-N 3.38Å; E1145-I1148 PolarHBondContact O-N 3.22Å; E1145-R1149 WeakPolarHBondContact O-CB 3.42Å; E1145-R1149 PolarHBondContact O-N 2.99Å; E1145-I1216 HydrophobicContact CG-CG1 3.96Å; E1145-I1216 WeakPolarHBondContact OE1-CA 3.32Å; E1145-V1217 WeakPolarHBondContact OE1-CG2 3.22Å; E1145-V1217 PolarHBondContact OE1-N 3.29Å; E1145-A1220 HydrophobicContact CG-CB 4.26Å |
| 1146 | D | 92.3 | Very high | 92.6 | Very high | 5 Ų | 5 | 15.3 Ų | 15.3 | 3% | 0.027 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -66.2 | -39.3 | 177.4 | -78.9 | -16.6 | 0 | 0 | 0 | 111.5 | V1009 L1094 L1143 R1149 C1150 | V1009-D1146 PolarHBondContact N-OD2 2.85Å; L1094-D1146 HydrophobicContact CD2-CB 4.09Å; L1143-D1146 HydrophobicContact CB-CB 4.16Å; L1143-D1146 PolarHBondContact O-N 2.97Å; L1143-D1146 VanDerWaalsContact O-N 3.15Å; D1146-R1149 IonicContact OD1-CZ 2.71Å; D1146-R1149 IonicContact OD1-NE 3.55Å; D1146-R1149 PolarHBondContact OD1-NE 3.44Å; D1146-R1149 IonicContact OD1-NH2 2.7Å; D1146-R1149 PolarHBondContact OD1-NH2 3.45Å; D1146-C1150 WeakPolarHBondContact O-CB 3.45Å; D1146-C1150 PolarHBondContact O-N 2.87Å; D1146-C1150 PolarHBondContact O-SG 2.73Å |
| 1147 | L | 94.6 | Very high | 92.2 | Very high | 5 Ų | 5 | 17.9 Ų | 17.9 | 3% | 0.026 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.9 | -43.8 | 173.8 | -177.2 | 68 | 0 | 0 | 0 | 111.7 | L1094 L1097 V1133 I1137 L1143 L1144 A1151 A1152 I1176 L1180 | L1094-L1147 HydrophobicContact CD1-CB 4.48Å; L1094-L1147 HydrophobicContact CD1-CD1 4.33Å; L1097-L1147 HydrophobicContact CB-CD1 4.08Å; L1097-L1147 HydrophobicContact CD1-CD1 3.9Å; V1133-L1147 HydrophobicContact CG1-CD2 3.59Å; I1137-L1147 HydrophobicContact CD1-CD2 3.76Å; L1143-L1147 PolarHBondContact O-N 3.23Å; L1143-L1147 VanDerWaalsContact O-N 3.11Å; L1144-L1147 PolarHBondContact O-N 2.81Å; L1147-A1151 HydrophobicContact CD1-CB 4.06Å; L1147-A1151 PolarHBondContact O-N 2.97Å; L1147-A1151 VanDerWaalsContact O-N 3.07Å; L1147-A1152 PolarHBondContact O-N 3.24Å; L1147-I1176 HydrophobicContact CD2-CG2 4.17Å; L1147-L1180 HydrophobicContact CD2-CD1 3.61Å |
| 1148 | I | 94.5 | Very high | 91.8 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 2% | 0.015 | 11% | 0.105 | C | C | . | . | I | π-helix | trans | -62.2 | -49 | 178.3 | -74.4 | 165.7 | 0 | 0 | 0 | 110.8 | L1144 E1145 A1152 I1153 L1177 F1181 I1216 A1220 V1224 | L1144-I1148 HydrophobicContact CD1-CD1 4.01Å; L1144-I1148 HydrophobicContact CD1-CG1 4.44Å; L1144-I1148 HydrophobicContact CG-CD1 3.95Å; L1144-I1148 WeakPolarHBondContact O-CB 3.3Å; L1144-I1148 WeakPolarHBondContact O-CD1 3.42Å; L1144-I1148 VanDerWaalsContact O-CG1 3.26Å; L1144-I1148 WeakPolarHBondContact O-CG1 3.3Å; L1144-I1148 PolarHBondContact O-N 3.26Å; E1145-I1148 PolarHBondContact O-N 3.22Å; I1148-A1152 PolarHBondContact O-N 2.83Å; I1148-I1153 HydrophobicContact CG2-CD1 3.55Å; I1148-I1153 HydrophobicContact CG2-CG1 4.04Å; I1148-I1153 WeakPolarHBondContact O-CG1 3.24Å; I1148-I1153 PolarHBondContact O-N 2.89Å; I1148-L1177 HydrophobicContact CG1-CD2 4.26Å; I1148-F1181 HydrophobicContact CD1-CE2 4.1Å; I1148-F1181 HydrophobicContact CD1-CZ 4.06Å; I1148-I1216 HydrophobicContact CD1-CD1 3.61Å; I1148-A1220 HydrophobicContact CD1-CB 4.48Å; I1148-A1220 HydrophobicContact CG2-CB 4.4Å; I1148-V1224 HydrophobicContact CB-CG2 4.34Å; I1148-V1224 HydrophobicContact CD1-CG2 3.75Å; I1148-V1224 HydrophobicContact CG1-CG2 3.75Å; I1148-V1224 HydrophobicContact CG2-CG2 3.66Å |
| 1149 | R | 92.2 | Very high | 91.5 | Very high | 59 Ų | 59 | 20.7 Ų | 20.7 | 22% | 0.223 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -66.1 | -46.8 | -178.4 | -178.9 | 177.2 | 62.8 | 86.5 | 0.3 | 113 | V1009 E1010 E1145 D1146 | V1009-R1149 PolarHBondContact O-NH2 3.42Å; E1010-R1149 IonicContact OE1-CZ 3.13Å; E1010-R1149 IonicContact OE1-NH1 2.73Å; E1010-R1149 PolarHBondContact OE1-NH1 3.35Å; E1010-R1149 IonicContact OE1-NH2 2.77Å; E1010-R1149 PolarHBondContact OE1-NH2 3.48Å; E1145-R1149 WeakPolarHBondContact O-CB 3.42Å; E1145-R1149 PolarHBondContact O-N 2.99Å; D1146-R1149 IonicContact OD1-CZ 2.71Å; D1146-R1149 IonicContact OD1-NE 3.55Å; D1146-R1149 PolarHBondContact OD1-NE 3.44Å; D1146-R1149 IonicContact OD1-NH2 2.7Å; D1146-R1149 PolarHBondContact OD1-NH2 3.45Å |
| 1150 | C | 91.9 | Very high | 91 | Very high | 13 Ų | 13 | 20.9 Ų | 20.9 | 9% | 0.088 | 11% | 0.112 | C | C | . | . | I | π-helix | trans | -95.2 | -21.1 | -168.3 | -63.5 | 0 | 0 | 0 | 0 | 115 | P1011 L1094 D1146 | P1011-C1150 HydrophobicContact CG-CB 4.18Å; L1094-C1150 HydrophobicContact CD1-CB 4.18Å; L1094-C1150 HydrophobicContact CD2-CB 4.02Å; L1094-C1150 HydrophobicContact CG-CB 4.13Å; D1146-C1150 WeakPolarHBondContact O-CB 3.45Å; D1146-C1150 PolarHBondContact O-N 2.87Å; D1146-C1150 PolarHBondContact O-SG 2.73Å |
| 1151 | A | 91.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -126.9 | -50.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K1098 C1101 L1147 S1155 | K1098-A1151 HydrophobicContact CB-CB 4.15Å; C1101-A1151 HydrophobicContact CB-CB 4.46Å; L1147-A1151 HydrophobicContact CD1-CB 4.06Å; L1147-A1151 PolarHBondContact O-N 2.97Å; L1147-A1151 VanDerWaalsContact O-N 3.07Å; A1151-S1155 WeakPolarHBondContact O-CB 3.41Å; A1151-S1155 PolarHBondContact O-N 2.87Å |
| 1152 | A | 93.2 | Very high | 89.3 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -72.6 | -51.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1147 I1148 S1155 L1156 T1173 L1177 | L1147-A1152 PolarHBondContact O-N 3.24Å; I1148-A1152 PolarHBondContact O-N 2.83Å; A1152-S1155 PolarHBondContact O-N 3.02Å; A1152-L1156 VanDerWaalsContact O-CG 3.3Å; A1152-L1156 WeakPolarHBondContact O-CG 3.48Å; A1152-L1156 PolarHBondContact O-N 3.5Å; A1152-L1156 VanDerWaalsContact O-N 3.09Å; A1152-T1173 HydrophobicContact CB-CG2 3.71Å; A1152-L1177 HydrophobicContact CB-CD1 4.22Å; A1152-L1177 HydrophobicContact CB-CD2 4.22Å; A1152-L1177 HydrophobicContact CB-CG 4.41Å |
| 1153 | I | 92.2 | Very high | 87.5 | Confident | 31 Ų | 31 | 36.4 Ų | 36.4 | 16% | 0.159 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.4 | -46.3 | 179.4 | -66.2 | 161.3 | 0 | 0 | 0 | 111.6 | I1148 S1155 L1156 L1157 A1223 | I1148-I1153 HydrophobicContact CG2-CD1 3.55Å; I1148-I1153 HydrophobicContact CG2-CG1 4.04Å; I1148-I1153 WeakPolarHBondContact O-CG1 3.24Å; I1148-I1153 PolarHBondContact O-N 2.89Å; I1153-S1155 VanDerWaalsContact C-N 3.34Å; I1153-S1155 PolarHBondContact O-N 3.48Å; I1153-L1156 PolarHBondContact O-N 3.32Å; I1153-L1157 HydrophobicContact CG2-CD1 3.6Å; I1153-L1157 HydrophobicContact CG2-CG 4.13Å; I1153-L1157 WeakPolarHBondContact O-CB 3.34Å; I1153-L1157 WeakPolarHBondContact O-CG 3.47Å; I1153-L1157 PolarHBondContact O-N 3.38Å; I1153-A1223 HydrophobicContact CD1-CB 3.54Å; I1153-A1223 HydrophobicContact CG1-CB 4.44Å |
| 1154 | P | 90.3 | Very high | 86.3 | Confident | 46 Ų | 46 | 41.5 Ų | 41.5 | 30% | 0.299 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56.8 | -42.1 | 174.8 | -27.8 | 36.3 | 0 | 0 | 0 | 114 | N1158 | P1154-N1158 WeakPolarHBondContact O-CB 3.48Å; P1154-N1158 PolarHBondContact O-N 3.14Å |
| 1155 | S | 91.1 | Very high | 85.3 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.8 | -52.9 | 178 | 178.6 | 0 | 0 | 0 | 0 | 112.2 | C1101 A1151 A1152 I1153 L1157 N1158 A1159 G1169 A1170 T1173 | C1101-S1155 VanDerWaalsContact O-CB 3.24Å; C1101-S1155 WeakPolarHBondContact O-CB 3.48Å; C1101-S1155 PolarHBondContact O-OG 3.34Å; A1151-S1155 WeakPolarHBondContact O-CB 3.41Å; A1151-S1155 PolarHBondContact O-N 2.87Å; A1152-S1155 PolarHBondContact O-N 3.02Å; I1153-S1155 VanDerWaalsContact C-N 3.34Å; I1153-S1155 PolarHBondContact O-N 3.48Å; S1155-L1157 PolarHBondContact O-N 3.09Å; S1155-N1158 PolarHBondContact O-N 3.06Å; S1155-A1159 PolarHBondContact O-N 2.82Å; S1155-G1169 PolarHBondContact OG-O 3.07Å; S1155-A1170 WeakPolarHBondContact OG-CA 3.35Å; S1155-A1170 PolarHBondContact OG-N 2.64Å; S1155-T1173 WeakPolarHBondContact CB-OG1 3.34Å; S1155-T1173 PolarHBondContact OG-OG1 3.2Å |
| 1156 | L | 91.7 | Very high | 84.9 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.4 | -41 | -177.5 | -64.4 | 171 | 0 | 0 | 0 | 112.2 | A1152 I1153 A1159 A1160 T1173 L1177 A1227 V1228 L1231 | A1152-L1156 VanDerWaalsContact O-CG 3.3Å; A1152-L1156 WeakPolarHBondContact O-CG 3.48Å; A1152-L1156 PolarHBondContact O-N 3.5Å; A1152-L1156 VanDerWaalsContact O-N 3.09Å; I1153-L1156 PolarHBondContact O-N 3.32Å; L1156-A1159 PolarHBondContact O-N 2.88Å; L1156-A1160 PolarHBondContact O-N 2.92Å; L1156-A1160 VanDerWaalsContact O-N 3.07Å; L1156-T1173 HydrophobicContact CD1-CG2 4.3Å; L1156-T1173 HydrophobicContact CD2-CG2 4.08Å; L1156-T1173 HydrophobicContact CG-CG2 3.9Å; L1156-L1177 HydrophobicContact CD1-CD1 3.8Å; L1156-A1227 HydrophobicContact CB-CB 3.97Å; L1156-A1227 HydrophobicContact CD1-CB 3.69Å; L1156-V1228 HydrophobicContact CD1-CG2 3.65Å; L1156-V1228 HydrophobicContact CD2-CG2 4.47Å; L1156-L1231 HydrophobicContact CD2-CD2 3.52Å |
| 1157 | L | 86.4 | Confident | 84.7 | Confident | 55 Ų | 55 | 47.2 Ų | 47.2 | 29% | 0.288 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -71.8 | -37.8 | 179.4 | -67.2 | -179.6 | 0 | 0 | 0 | 112.5 | I1153 S1155 A1159 A1160 C1161 | I1153-L1157 HydrophobicContact CG2-CD1 3.6Å; I1153-L1157 HydrophobicContact CG2-CG 4.13Å; I1153-L1157 WeakPolarHBondContact O-CB 3.34Å; I1153-L1157 WeakPolarHBondContact O-CG 3.47Å; I1153-L1157 PolarHBondContact O-N 3.38Å; S1155-L1157 PolarHBondContact O-N 3.09Å; L1157-A1159 VanDerWaalsContact C-N 3.34Å; L1157-A1160 PolarHBondContact O-N 3.11Å; L1157-C1161 PolarHBondContact O-N 2.64Å; L1157-C1161 PolarHBondContact O-SG 3.31Å |
| 1158 | N | 85.8 | Confident | 84.5 | Confident | 58 Ų | 58 | 48.7 Ų | 48.7 | 31% | 0.31 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 173.6 | -75.4 | -6.8 | 0 | 0 | 0 | 111.2 | N1105 P1154 S1155 A1160 C1161 S1162 | N1105-N1158 PolarHBondContact OD1-ND2 2.71Å; P1154-N1158 WeakPolarHBondContact O-CB 3.48Å; P1154-N1158 PolarHBondContact O-N 3.14Å; S1155-N1158 PolarHBondContact O-N 3.06Å; N1158-A1160 VanDerWaalsContact C-N 3.32Å; N1158-A1160 PolarHBondContact O-N 2.89Å; N1158-C1161 CarbonylContact O-C 3.59Å; N1158-C1161 PolarHBondContact O-N 3.15Å; N1158-S1162 WeakPolarHBondContact O-CB 3.46Å; N1158-S1162 PolarHBondContact O-N 3.13Å |
| 1159 | A | 87 | Confident | 84.3 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 2% | 0.017 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69 | -26.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | S1155 L1156 L1157 C1161 S1166 A1170 L1231 L1276 | S1155-A1159 PolarHBondContact O-N 2.82Å; L1156-A1159 PolarHBondContact O-N 2.88Å; L1157-A1159 VanDerWaalsContact C-N 3.34Å; A1159-C1161 PolarHBondContact O-N 2.93Å; A1159-S1166 WeakPolarHBondContact CA-OG 3.43Å; A1159-A1170 HydrophobicContact CB-CB 3.38Å; A1159-L1231 HydrophobicContact CB-CD1 3.81Å; A1159-L1276 HydrophobicContact CB-CD2 4.23Å |
| 1160 | A | 82.8 | Confident | 84.3 | Confident | 24 Ų | 24 | 45.7 Ų | 45.7 | 20% | 0.198 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -10.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1156 L1157 N1158 V1230 L1231 | L1156-A1160 PolarHBondContact O-N 2.92Å; L1156-A1160 VanDerWaalsContact O-N 3.07Å; L1157-A1160 PolarHBondContact O-N 3.11Å; N1158-A1160 VanDerWaalsContact C-N 3.32Å; N1158-A1160 PolarHBondContact O-N 2.89Å; A1160-V1230 HydrophobicContact CB-CG1 3.91Å; A1160-L1231 HydrophobicContact CB-CD1 4.23Å |
| 1161 | C | 78.3 | Confident | 84.3 | Confident | 116 Ų | 116 | 46.2 Ų | 46.2 | 78% | 0.784 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -118 | 2.1 | -174.7 | -61 | 0 | 0 | 0 | 0 | 114.6 | L1157 N1158 A1159 | L1157-C1161 PolarHBondContact O-N 2.64Å; L1157-C1161 PolarHBondContact O-SG 3.31Å; N1158-C1161 CarbonylContact O-C 3.59Å; N1158-C1161 PolarHBondContact O-N 3.15Å; A1159-C1161 PolarHBondContact O-N 2.93Å |
| 1162 | S | 69.9 | Low | 84.4 | Confident | 52 Ų | 52 | 46.2 Ų | 46.2 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -133.1 | 146.2 | -172.1 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | N1158 S1166 | N1158-S1162 WeakPolarHBondContact O-CB 3.46Å; N1158-S1162 PolarHBondContact O-N 3.13Å; S1162-S1166 WeakPolarHBondContact CB-OG 3.49Å |
| 1163 | E | 56.5 | Low | 84.5 | Confident | 181 Ų | 181 | 46.1 Ų | 46.1 | 85% | 0.846 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -85.8 | -13.4 | -163.9 | -65.4 | -167.8 | 147.2 | 0 | 0 | 115.8 | ||
| 1164 | Q | 65.2 | Low | 84.7 | Confident | 133 Ų | 133 | 44.6 Ų | 44.6 | 62% | 0.621 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -160.6 | -57.9 | 174.9 | -121.6 | 131 | 100 | 0 | 0 | 116.2 | S1166 E1167 | Q1164-S1166 PolarHBondContact O-N 3.32Å; Q1164-E1167 PolarHBondContact O-N 3.07Å; Q1164-E1167 VanDerWaalsContact O-N 3.11Å |
| 1165 | D | 72.5 | Confident | 84.8 | Confident | 132 Ų | 132 | 43.8 Ų | 43.8 | 71% | 0.706 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19.3 | -160.1 | -58.6 | -32.8 | 0 | 0 | 0 | 115.8 | ||
| 1166 | S | 83.4 | Confident | 85 | Confident | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -8.9 | -178.2 | 44.1 | 0 | 0 | 0 | 0 | 115.3 | A1159 S1162 Q1164 A1170 | A1159-S1166 WeakPolarHBondContact CA-OG 3.43Å; S1162-S1166 WeakPolarHBondContact CB-OG 3.49Å; Q1164-S1166 PolarHBondContact O-N 3.32Å; S1166-A1170 PolarHBondContact O-N 2.97Å |
| 1167 | E | 87.8 | Confident | 85.1 | Confident | 67 Ų | 67 | 44.1 Ų | 44.1 | 31% | 0.313 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.1 | -45.2 | -176.6 | 165.7 | 161.3 | -167.3 | 0 | 0 | 114.4 | Q1164 G1169 A1170 R1171 L1276 | Q1164-E1167 PolarHBondContact O-N 3.07Å; Q1164-E1167 VanDerWaalsContact O-N 3.11Å; E1167-G1169 PolarHBondContact O-N 3.12Å; E1167-A1170 PolarHBondContact O-N 3.34Å; E1167-R1171 WeakPolarHBondContact O-CB 3.16Å; E1167-R1171 PolarHBondContact O-N 3.44Å; E1167-R1171 IonicContact OE1-CZ 3.3Å; E1167-R1171 IonicContact OE1-NE 3.85Å; E1167-R1171 IonicContact OE1-NH2 3.77Å; E1167-R1171 PolarHBondContact OE1-NH2 3.03Å; E1167-L1276 HydrophobicContact CB-CD2 4.14Å; E1167-L1276 HydrophobicContact CG-CB 4.11Å; E1167-L1276 HydrophobicContact CG-CD2 4.06Å; E1167-L1276 PolarHBondContact OE1-N 2.85Å |
| 1168 | P | 89.1 | Confident | 85.4 | Confident | 35 Ų | 35 | 42.3 Ų | 42.3 | 23% | 0.227 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.5 | -46.8 | -177.4 | -27.3 | 36.7 | 0 | 0 | 0 | 113.8 | V1120 A1170 R1171 L1172 | V1120-P1168 HydrophobicContact CB-CB 4.18Å; V1120-P1168 HydrophobicContact CG1-CB 4.04Å; P1168-A1170 PolarHBondContact O-N 3.04Å; P1168-R1171 PolarHBondContact O-N 3.4Å; P1168-L1172 PolarHBondContact O-N 3.33Å |
| 1169 | G | 91.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.8 | -36.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C1101 S1155 E1167 T1173 | C1101-G1169 CarbonylContact O-C 3.16Å; C1101-G1169 VanDerWaalsContact O-CA 3.32Å; C1101-G1169 WeakPolarHBondContact O-CA 3.31Å; S1155-G1169 PolarHBondContact OG-O 3.07Å; E1167-G1169 PolarHBondContact O-N 3.12Å; G1169-T1173 WeakPolarHBondContact O-CB 3.16Å; G1169-T1173 PolarHBondContact O-N 3.43Å; G1169-T1173 PolarHBondContact O-OG1 2.9Å |
| 1170 | A | 92.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.5 | -35.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1155 A1159 S1166 E1167 P1168 T1173 C1174 L1231 L1276 | S1155-A1170 WeakPolarHBondContact OG-CA 3.35Å; S1155-A1170 PolarHBondContact OG-N 2.64Å; A1159-A1170 HydrophobicContact CB-CB 3.38Å; S1166-A1170 PolarHBondContact O-N 2.97Å; E1167-A1170 PolarHBondContact O-N 3.34Å; P1168-A1170 PolarHBondContact O-N 3.04Å; A1170-T1173 WeakPolarHBondContact O-CB 3.26Å; A1170-T1173 PolarHBondContact O-N 2.93Å; A1170-C1174 WeakPolarHBondContact O-CB 3.34Å; A1170-C1174 PolarHBondContact O-N 3.39Å; A1170-L1231 HydrophobicContact CB-CD2 4.19Å; A1170-L1276 HydrophobicContact CB-CD1 4.46Å; A1170-L1276 HydrophobicContact CB-CD2 3.93Å |
| 1171 | R | 92.8 | Very high | 86.3 | Confident | 24 Ų | 24 | 40 Ų | 40 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.5 | -45.8 | 173.5 | -173 | 175.5 | -66.1 | -94.7 | -5.5 | 111.7 | L1123 E1167 P1168 C1174 R1175 E1272 A1274 L1276 Y1279 | L1123-R1171 HydrophobicContact CD2-CG 4.4Å; E1167-R1171 WeakPolarHBondContact O-CB 3.16Å; E1167-R1171 PolarHBondContact O-N 3.44Å; E1167-R1171 IonicContact OE1-CZ 3.3Å; E1167-R1171 IonicContact OE1-NE 3.85Å; E1167-R1171 IonicContact OE1-NH2 3.77Å; E1167-R1171 PolarHBondContact OE1-NH2 3.03Å; P1168-R1171 PolarHBondContact O-N 3.4Å; R1171-C1174 WeakPolarHBondContact O-CB 3.48Å; R1171-C1174 PolarHBondContact O-N 3.18Å; R1171-R1175 PolarHBondContact O-N 3.25Å; R1171-E1272 PolarHBondContact NH1-O 3.43Å; R1171-A1274 VanDerWaalsContact CZ-O 3.26Å; R1171-A1274 PolarHBondContact NH1-O 3.09Å; R1171-A1274 PolarHBondContact NH2-O 3.39Å; R1171-L1276 HydrophobicContact CB-CD1 4.1Å; R1171-Y1279 HydrophobicContact CG-CD1 4.21Å; R1171-Y1279 HydrophobicContact CG-CE1 4.21Å |
| 1172 | L | 93.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.9 | -46.7 | 172.8 | 175.1 | 60.3 | 0 | 0 | 0 | 111.1 | L1100 V1120 H1126 L1129 P1168 C1174 R1175 I1176 | L1100-L1172 HydrophobicContact CB-CD2 4.13Å; V1120-L1172 HydrophobicContact CG1-CB 4.34Å; V1120-L1172 HydrophobicContact CG1-CD2 4.04Å; H1126-L1172 HydrophobicContact CB-CD1 4.21Å; L1129-L1172 HydrophobicContact CD2-CD1 4.09Å; L1129-L1172 HydrophobicContact CD2-CD2 3.96Å; P1168-L1172 PolarHBondContact O-N 3.33Å; L1172-C1174 VanDerWaalsContact C-N 3.34Å; L1172-C1174 PolarHBondContact O-N 2.9Å; L1172-R1175 PolarHBondContact O-N 3.27Å; L1172-R1175 VanDerWaalsContact O-N 3.09Å; L1172-I1176 HydrophobicContact CD1-CD1 3.91Å; L1172-I1176 HydrophobicContact CD1-CG1 4.13Å; L1172-I1176 HydrophobicContact CG-CD1 3.88Å; L1172-I1176 HydrophobicContact CG-CG1 4.48Å; L1172-I1176 WeakPolarHBondContact O-CG1 3.45Å; L1172-I1176 PolarHBondContact O-N 2.83Å |
| 1173 | T | 95.1 | Very high | 87.3 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.8 | -46.1 | 175.9 | -61.8 | 0 | 0 | 0 | 0 | 111.9 | C1101 A1152 S1155 L1156 G1169 A1170 R1175 I1176 L1177 | C1101-T1173 VanDerWaalsContact CB-OG1 3.28Å; C1101-T1173 WeakPolarHBondContact CB-OG1 3.3Å; C1101-T1173 PolarHBondContact SG-OG1 3.07Å; C1101-T1173 VanDerWaalsContact SG-OG1 3.4Å; A1152-T1173 HydrophobicContact CB-CG2 3.71Å; S1155-T1173 WeakPolarHBondContact CB-OG1 3.34Å; S1155-T1173 PolarHBondContact OG-OG1 3.2Å; L1156-T1173 HydrophobicContact CD1-CG2 4.3Å; L1156-T1173 HydrophobicContact CD2-CG2 4.08Å; L1156-T1173 HydrophobicContact CG-CG2 3.9Å; G1169-T1173 WeakPolarHBondContact O-CB 3.16Å; G1169-T1173 PolarHBondContact O-N 3.43Å; G1169-T1173 PolarHBondContact O-OG1 2.9Å; A1170-T1173 WeakPolarHBondContact O-CB 3.26Å; A1170-T1173 PolarHBondContact O-N 2.93Å; T1173-R1175 VanDerWaalsContact C-N 3.33Å; T1173-R1175 PolarHBondContact O-N 2.99Å; T1173-I1176 PolarHBondContact O-N 3.23Å; T1173-L1177 HydrophobicContact CG2-CD1 3.97Å; T1173-L1177 HydrophobicContact CG2-CG 4.46Å; T1173-L1177 WeakPolarHBondContact O-CB 3.08Å; T1173-L1177 VanDerWaalsContact O-CG 3.31Å; T1173-L1177 WeakPolarHBondContact O-CG 3.48Å; T1173-L1177 PolarHBondContact O-N 2.86Å |
| 1174 | C | 94.9 | Very high | 88 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.8 | -38.7 | 174.8 | -85.1 | 0 | 0 | 0 | 0 | 112.7 | A1170 R1171 L1172 L1178 Y1279 V1283 | A1170-C1174 WeakPolarHBondContact O-CB 3.34Å; A1170-C1174 PolarHBondContact O-N 3.39Å; R1171-C1174 WeakPolarHBondContact O-CB 3.48Å; R1171-C1174 PolarHBondContact O-N 3.18Å; L1172-C1174 VanDerWaalsContact C-N 3.34Å; L1172-C1174 PolarHBondContact O-N 2.9Å; C1174-L1178 VanDerWaalsContact O-CB 3.31Å; C1174-L1178 WeakPolarHBondContact O-CB 3.5Å; C1174-L1178 PolarHBondContact O-N 3.41Å; C1174-Y1279 HydrophobicContact CB-CD1 3.96Å; C1174-Y1279 HydrophobicContact CB-CE1 3.8Å; C1174-V1283 HydrophobicContact CB-CG1 4.47Å; C1174-V1283 HydrophobicContact CB-CG2 4.2Å |
| 1175 | R | 92.8 | Very high | 88.1 | Confident | 29 Ų | 29 | 33.6 Ų | 33.6 | 11% | 0.109 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -72.5 | -40.8 | 177.3 | -173.9 | 48.2 | 159.2 | -121.5 | -13 | 112.6 | H1126 D1127 R1171 L1172 T1173 L1178 H1179 E1272 Y1279 | H1126-R1175 HydrophobicContact CB-CB 4.47Å; H1126-R1175 HydrophobicContact CB-CG 4.07Å; D1127-R1175 VanDerWaalsContact CG-NH2 3.25Å; D1127-R1175 IonicContact OD1-CZ 3.78Å; D1127-R1175 VanDerWaalsContact OD1-CZ 3.22Å; D1127-R1175 IonicContact OD1-NE 2.68Å; D1127-R1175 PolarHBondContact OD1-NE 3.45Å; D1127-R1175 IonicContact OD1-NH2 2.7Å; D1127-R1175 PolarHBondContact OD1-NH2 3.03Å; D1127-R1175 IonicContact OD2-CZ 2.67Å; D1127-R1175 IonicContact OD2-NE 2.65Å; D1127-R1175 IonicContact OD2-NH2 2.75Å; D1127-R1175 PolarHBondContact OD2-NH2 3.23Å; R1171-R1175 PolarHBondContact O-N 3.25Å; L1172-R1175 PolarHBondContact O-N 3.27Å; L1172-R1175 VanDerWaalsContact O-N 3.09Å; T1173-R1175 VanDerWaalsContact C-N 3.33Å; T1173-R1175 PolarHBondContact O-N 2.99Å; R1175-L1178 PolarHBondContact O-N 2.99Å; R1175-H1179 PolarHBondContact O-N 2.9Å; R1175-E1272 IonicContact CZ-OE1 2.74Å; R1175-E1272 IonicContact NH1-OE1 3.67Å; R1175-E1272 PolarHBondContact NH1-OE1 3.48Å; R1175-E1272 IonicContact NH2-OE1 3.02Å; R1175-E1272 PolarHBondContact NH2-OE1 3.38Å; R1175-Y1279 PolarHBondContact NH1-OH 3.33Å |
| 1176 | I | 94.9 | Very high | 87.4 | Confident | 7 Ų | 7 | 29.4 Ų | 29.4 | 4% | 0.036 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59 | -49.4 | 172.9 | -68.7 | 170.5 | 0 | 0 | 0 | 110 | A1130 V1133 L1147 L1172 T1173 L1178 H1179 L1180 | A1130-I1176 HydrophobicContact CB-CG1 4.19Å; V1133-I1176 HydrophobicContact CG1-CG2 4.12Å; L1147-I1176 HydrophobicContact CD2-CG2 4.17Å; L1172-I1176 HydrophobicContact CD1-CD1 3.91Å; L1172-I1176 HydrophobicContact CD1-CG1 4.13Å; L1172-I1176 HydrophobicContact CG-CD1 3.88Å; L1172-I1176 HydrophobicContact CG-CG1 4.48Å; L1172-I1176 WeakPolarHBondContact O-CG1 3.45Å; L1172-I1176 PolarHBondContact O-N 2.83Å; T1173-I1176 PolarHBondContact O-N 3.23Å; I1176-L1178 PolarHBondContact O-N 3.25Å; I1176-H1179 PolarHBondContact O-N 2.94Å; I1176-L1180 HydrophobicContact CG2-CD1 3.57Å; I1176-L1180 HydrophobicContact CG2-CG 4.26Å; I1176-L1180 WeakPolarHBondContact O-CB 3.37Å; I1176-L1180 VanDerWaalsContact O-CG 3.26Å; I1176-L1180 WeakPolarHBondContact O-CG 3.23Å; I1176-L1180 PolarHBondContact O-N 2.83Å |
| 1177 | L | 95.1 | Very high | 86 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 176.6 | -72.5 | 169.9 | 0 | 0 | 0 | 112.4 | I1148 A1152 L1156 T1173 H1179 L1180 F1181 V1224 V1228 I1287 | I1148-L1177 HydrophobicContact CG1-CD2 4.26Å; A1152-L1177 HydrophobicContact CB-CD1 4.22Å; A1152-L1177 HydrophobicContact CB-CD2 4.22Å; A1152-L1177 HydrophobicContact CB-CG 4.41Å; L1156-L1177 HydrophobicContact CD1-CD1 3.8Å; T1173-L1177 HydrophobicContact CG2-CD1 3.97Å; T1173-L1177 HydrophobicContact CG2-CG 4.46Å; T1173-L1177 WeakPolarHBondContact O-CB 3.08Å; T1173-L1177 VanDerWaalsContact O-CG 3.31Å; T1173-L1177 WeakPolarHBondContact O-CG 3.48Å; T1173-L1177 PolarHBondContact O-N 2.86Å; L1177-H1179 VanDerWaalsContact C-N 3.31Å; L1177-H1179 PolarHBondContact O-N 3.14Å; L1177-L1180 PolarHBondContact O-N 3.27Å; L1177-F1181 HydrophobicContact CD2-CD2 4.35Å; L1177-F1181 HydrophobicContact CD2-CE2 3.92Å; L1177-F1181 WeakPolarHBondContact O-CB 3.24Å; L1177-F1181 WeakPolarHBondContact O-CD2 3.35Å; L1177-F1181 PolarHBondContact O-N 2.78Å; L1177-V1224 HydrophobicContact CD1-CG1 4.1Å; L1177-V1224 HydrophobicContact CD2-CG1 4.11Å; L1177-V1224 HydrophobicContact CD2-CG2 3.93Å; L1177-V1228 HydrophobicContact CD1-CG2 4.18Å; L1177-I1287 HydrophobicContact CB-CD1 4.46Å |
| 1178 | L | 91.8 | Very high | 84 | Confident | 17 Ų | 17 | 32.1 Ų | 32.1 | 9% | 0.089 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.7 | -42.9 | 176.5 | -178.2 | 65.5 | 0 | 0 | 0 | 111.7 | C1174 R1175 I1176 K1182 Y1282 V1283 | C1174-L1178 VanDerWaalsContact O-CB 3.31Å; C1174-L1178 WeakPolarHBondContact O-CB 3.5Å; C1174-L1178 PolarHBondContact O-N 3.41Å; R1175-L1178 PolarHBondContact O-N 2.99Å; I1176-L1178 PolarHBondContact O-N 3.25Å; L1178-K1182 WeakPolarHBondContact O-CB 3.07Å; L1178-K1182 PolarHBondContact O-N 2.63Å; L1178-Y1282 HydrophobicContact CD2-CE1 4.06Å; L1178-V1283 HydrophobicContact CB-CG1 4.22Å; L1178-V1283 HydrophobicContact CB-CG2 4.35Å; L1178-V1283 HydrophobicContact CD2-CG2 4.28Å |
| 1179 | H | 90.4 | Very high | 81.6 | Confident | 36 Ų | 36 | 35.2 Ų | 35.2 | 17% | 0.167 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.6 | -40.4 | 178.1 | -159.1 | 118.6 | 0 | 0 | 0 | 111.8 | A1130 T1131 R1175 I1176 L1177 | A1130-H1179 HydrophobicContact CB-CB 3.78Å; T1131-H1179 PolarHBondContact OG1-CE1 3.41Å; T1131-H1179 VanDerWaalsContact OG1-CE1 3.29Å; R1175-H1179 PolarHBondContact O-N 2.9Å; I1176-H1179 PolarHBondContact O-N 2.94Å; L1177-H1179 VanDerWaalsContact C-N 3.31Å; L1177-H1179 PolarHBondContact O-N 3.14Å |
| 1180 | L | 92.6 | Very high | 79.2 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73 | -27.9 | -178.6 | -71.4 | 173 | 0 | 0 | 0 | 114.3 | V1133 A1134 I1137 L1144 L1147 I1176 L1177 L1209 Q1213 | V1133-L1180 HydrophobicContact CG1-CD1 4.24Å; A1134-L1180 HydrophobicContact CB-CD2 3.7Å; I1137-L1180 HydrophobicContact CD1-CD1 3.89Å; I1137-L1180 HydrophobicContact CD1-CD2 3.8Å; L1144-L1180 HydrophobicContact CD1-CB 4.26Å; L1144-L1180 HydrophobicContact CD1-CD1 3.87Å; L1147-L1180 HydrophobicContact CD2-CD1 3.61Å; I1176-L1180 HydrophobicContact CG2-CD1 3.57Å; I1176-L1180 HydrophobicContact CG2-CG 4.26Å; I1176-L1180 WeakPolarHBondContact O-CB 3.37Å; I1176-L1180 VanDerWaalsContact O-CG 3.26Å; I1176-L1180 WeakPolarHBondContact O-CG 3.23Å; I1176-L1180 PolarHBondContact O-N 2.83Å; L1177-L1180 PolarHBondContact O-N 3.27Å; L1180-L1209 HydrophobicContact CD2-CD1 4.11Å; L1180-Q1213 PolarHBondContact O-NE2 2.9Å |
| 1181 | F | 92.4 | Very high | 76.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -93.9 | -24.2 | 179.6 | -83 | -106.5 | 0 | 0 | 0 | 113.6 | I1148 L1177 T1183 I1216 V1221 V1224 I1287 W1292 V1293 | I1148-F1181 HydrophobicContact CD1-CE2 4.1Å; I1148-F1181 HydrophobicContact CD1-CZ 4.06Å; L1177-F1181 HydrophobicContact CD2-CD2 4.35Å; L1177-F1181 HydrophobicContact CD2-CE2 3.92Å; L1177-F1181 WeakPolarHBondContact O-CB 3.24Å; L1177-F1181 WeakPolarHBondContact O-CD2 3.35Å; L1177-F1181 PolarHBondContact O-N 2.78Å; F1181-T1183 PolarHBondContact O-N 3.45Å; F1181-I1216 HydrophobicContact CZ-CD1 4.04Å; F1181-V1221 HydrophobicContact CE1-CG1 4.25Å; F1181-V1221 HydrophobicContact CE1-CG2 4.24Å; F1181-V1224 HydrophobicContact CE2-CG1 4.27Å; F1181-V1224 HydrophobicContact CE2-CG2 4.24Å; F1181-V1224 HydrophobicContact CZ-CB 4.22Å; F1181-V1224 HydrophobicContact CZ-CG1 4.18Å; F1181-V1224 HydrophobicContact CZ-CG2 4.03Å; F1181-I1287 HydrophobicContact CB-CD1 4.32Å; F1181-I1287 HydrophobicContact CB-CG1 3.98Å; F1181-I1287 HydrophobicContact CB-CG2 4.15Å; F1181-I1287 HydrophobicContact CD1-CG2 3.83Å; F1181-I1287 HydrophobicContact CG-CD1 4.44Å; F1181-I1287 HydrophobicContact CG-CG2 4.17Å; F1181-W1292 HydrophobicContact CB-CZ2 4.35Å; F1181-W1292 AromaticContact CD1-CH2 3.68Å; F1181-W1292 HydrophobicContact CD1-CH2 3.68Å; F1181-W1292 AromaticContact CD1-CZ2 3.69Å; F1181-W1292 HydrophobicContact CD1-CZ2 3.69Å; F1181-W1292 AromaticContact CE1-CH2 3.84Å; F1181-W1292 HydrophobicContact CE1-CH2 3.84Å; F1181-W1292 HydrophobicContact CE1-CZ2 4.33Å; F1181-W1292 HydrophobicContact CG-CZ2 4.25Å; F1181-W1292 PolarHBondContact O-NE1 3.3Å; F1181-V1293 HydrophobicContact CD1-CG2 3.99Å |
| 1182 | K | 89.2 | Confident | 73.5 | Confident | 118 Ų | 118 | 53.2 Ų | 53.2 | 51% | 0.513 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -63 | 134.2 | 177.5 | -175.6 | 176.2 | -178.9 | -177.2 | 0 | 110.8 | L1178 P1184 Q1213 | L1178-K1182 WeakPolarHBondContact O-CB 3.07Å; L1178-K1182 PolarHBondContact O-N 2.63Å; K1182-P1184 WeakPolarHBondContact O-CD 3.31Å; K1182-Q1213 PolarHBondContact O-NE2 2.77Å |
| 1183 | T | 78.6 | Confident | 70.6 | Confident | 69 Ų | 69 | 55 Ų | 55 | 42% | 0.423 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 125.1 | 175.2 | -54.8 | 0 | 0 | 0 | 0 | 109.9 | F1181 Q1185 Q1290 | F1181-T1183 PolarHBondContact O-N 3.45Å; T1183-Q1185 PolarHBondContact O-N 3.12Å; T1183-Q1290 PolarHBondContact OG1-OE1 3.34Å |
| 1184 | P | 73.1 | Confident | 67.5 | Low | 27 Ų | 27 | 63.4 Ų | 63.4 | 18% | 0.175 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 119.8 | 179.2 | -26.6 | 37.6 | 0 | 0 | 0 | 111.8 | K1182 R1206 L1209 A1210 | K1182-P1184 WeakPolarHBondContact O-CD 3.31Å; P1184-R1206 HydrophobicContact CB-CB 3.77Å; P1184-R1206 HydrophobicContact CB-CG 4.11Å; P1184-L1209 HydrophobicContact CG-CB 4.42Å; P1184-L1209 HydrophobicContact CG-CD2 4.11Å; P1184-L1209 HydrophobicContact CG-CG 4.38Å; P1184-A1210 HydrophobicContact CG-CB 4.16Å |
| 1185 | Q | 67 | Low | 65 | Low | 132 Ų | 132 | 71.5 Ų | 71.5 | 62% | 0.617 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 134.3 | 178.6 | -78.2 | -71.3 | 3 | 0 | 0 | 111 | T1183 N1187 R1206 | T1183-Q1185 PolarHBondContact O-N 3.12Å; Q1185-N1187 VanDerWaalsContact C-N 3.27Å; Q1185-N1187 PolarHBondContact O-N 3.03Å; Q1185-R1206 WeakPolarHBondContact O-CD 3.39Å; Q1185-R1206 PolarHBondContact O-NE 3.18Å; Q1185-R1206 VanDerWaalsContact O-NE 3.13Å |
| 1186 | L | 57.9 | Low | 62.9 | Low | 45 Ų | 45 | 75.9 Ų | 75.9 | 24% | 0.236 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -67.8 | -29 | -179.6 | -67 | 176.8 | 0 | 0 | 0 | 113 | E882 R1206 | E882-L1186 HydrophobicContact CG-CD1 3.81Å; E882-L1186 HydrophobicContact CG-CD2 4.26Å; E882-L1186 WeakPolarHBondContact OE1-CD2 3.45Å; E882-L1186 WeakPolarHBondContact OE2-CD2 3.48Å; L1186-R1206 PolarHBondContact O-NH2 3.03Å |
| 1187 | N | 53.6 | Low | 61 | Low | 32 Ų | 32 | 80.5 Ų | 80.5 | 17% | 0.171 | 45% | 0.448 | C | S | . | . | trans | -120.7 | 105.1 | -169.9 | -166.3 | 19.6 | 0 | 0 | 0 | 110.5 | Q835 Q1185 C1189 Q1190 | Q835-N1187 PolarHBondContact NE2-ND2 3.11Å; Q835-N1187 VanDerWaalsContact NE2-ND2 3.1Å; Q1185-N1187 VanDerWaalsContact C-N 3.27Å; Q1185-N1187 PolarHBondContact O-N 3.03Å; N1187-C1189 PolarHBondContact O-N 3.45Å; N1187-C1189 VanDerWaalsContact O-N 3.12Å; N1187-Q1190 PolarHBondContact ND2-NE2 3.14Å | ||
| 1188 | P | 44.7 | Very low | 59.4 | Low | 98 Ų | 98 | 81.2 Ų | 81.2 | 64% | 0.636 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -17.8 | -177.7 | -24.9 | 35 | 0 | 0 | 0 | 115.1 | ||
| 1189 | C | 38.9 | Very low | 58.8 | Low | 100 Ų | 100 | 81.4 Ų | 81.4 | 68% | 0.676 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | 16.4 | -163.8 | -140 | 0 | 0 | 0 | 0 | 115 | N1187 | N1187-C1189 PolarHBondContact O-N 3.45Å; N1187-C1189 VanDerWaalsContact O-N 3.12Å |
| 1190 | Q | 41.2 | Very low | 58.6 | Low | 137 Ų | 137 | 80.5 Ų | 80.5 | 64% | 0.64 | 46% | 0.455 | S | S | * | . | trans | -108.8 | 84.4 | 171.9 | -75.9 | -176.2 | 11.6 | 0 | 0 | 111.3 | N1187 | N1187-Q1190 PolarHBondContact ND2-NE2 3.14Š| ||
| 1191 | S | 35 | Very low | 58.1 | Low | 70 Ų | 70 | 87.5 Ų | 87.5 | 49% | 0.49 | 48% | 0.481 | S | S | . | . | trans | -133.7 | 115.7 | 165.5 | 170.7 | 0 | 0 | 0 | 0 | 108.2 | G1193 | S1191-G1193 PolarHBondContact O-N 3.29Å; S1191-G1193 PolarHBondContact OG-N 3.48Å; S1191-G1193 PolarHBondContact OG-O 3.02Å; S1191-G1193 VanDerWaalsContact OG-O 3.13Å | ||
| 1192 | D | 31.5 | Very low | 57.7 | Low | 194 Ų | 194 | 88.6 Ų | 88.6 | 100% | 1.037 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -71.5 | 23.7 | 170.4 | -82.5 | -39.7 | 0 | 0 | 0 | 112.7 | ||
| 1193 | G | 32.6 | Very low | 57.6 | Low | 39 Ų | 39 | 83.1 Ų | 83.1 | 40% | 0.402 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -132.2 | 127.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1191 K1195 | S1191-G1193 PolarHBondContact O-N 3.29Å; S1191-G1193 PolarHBondContact OG-N 3.48Å; S1191-G1193 PolarHBondContact OG-O 3.02Å; S1191-G1193 VanDerWaalsContact OG-O 3.13Å; G1193-K1195 PolarHBondContact O-N 3.41Å |
| 1194 | N | 30.3 | Very low | 58.1 | Low | 177 Ų | 177 | 80 Ų | 80 | 95% | 0.947 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -77.6 | 47.3 | -165.8 | -154.2 | 32.8 | 0 | 0 | 0 | 114.6 | ||
| 1195 | K | 41.6 | Very low | 59.1 | Low | 171 Ų | 171 | 78.7 Ų | 78.7 | 74% | 0.743 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -141.4 | 129.3 | 170.8 | -75.3 | -168.4 | 174.9 | -170.9 | 0 | 109.6 | G1193 T1197 | G1193-K1195 PolarHBondContact O-N 3.41Å; K1195-T1197 PolarHBondContact O-N 3.05Å |
| 1196 | P | 47.7 | Very low | 60.2 | Low | 120 Ų | 120 | 73.3 Ų | 73.3 | 78% | 0.779 | 41% | 0.412 | S | S | * | . | trans | -68.7 | 115.7 | 165.8 | 29.1 | -31.7 | 0 | 0 | 0 | 108.9 | ||||
| 1197 | T | 55.4 | Low | 61.8 | Low | 104 Ų | 104 | 71.5 Ų | 71.5 | 64% | 0.638 | 40% | 0.402 | S | S | * | . | trans | -75.7 | 131.3 | 172.1 | 49.5 | 0 | 0 | 0 | 0 | 109.7 | K1195 G1199 | K1195-T1197 PolarHBondContact O-N 3.05Å; T1197-G1199 PolarHBondContact O-N 2.94Å | ||
| 1198 | V | 62.5 | Low | 63.7 | Low | 18 Ų | 18 | 70 Ų | 70 | 11% | 0.109 | 39% | 0.394 | C | S | . | . | trans | -63.8 | 133.7 | 176.2 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | P1069 V1072 D1127 T1131 | P1069-V1198 HydrophobicContact CB-CB 4.32Å; P1069-V1198 HydrophobicContact CB-CG1 3.97Å; P1069-V1198 HydrophobicContact CB-CG2 4.18Å; V1072-V1198 HydrophobicContact CG1-CG1 4.43Å; D1127-V1198 HydrophobicContact CB-CB 4.17Å; T1131-V1198 HydrophobicContact CG2-CG1 4.35Å; T1131-V1198 PolarHBondContact OG1-O 2.67Å | ||
| 1199 | G | 77.9 | Confident | 66 | Low | 22 Ų | 22 | 65.5 Ų | 65.5 | 23% | 0.227 | 37% | 0.365 | C | S | . | . | trans | -173.3 | 176.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N1073 T1131 T1197 R1201 | N1073-G1199 PolarHBondContact ND2-O 3.05Å; T1131-G1199 VanDerWaalsContact CG2-C 3.5Å; T1131-G1199 WeakPolarHBondContact OG1-CA 3.25Å; T1131-G1199 PolarHBondContact OG1-N 2.83Å; T1197-G1199 PolarHBondContact O-N 2.94Å; G1199-R1201 PolarHBondContact O-N 2.87Å | ||
| 1200 | I | 86 | Confident | 68.5 | Low | 16 Ų | 16 | 61 Ų | 61 | 8% | 0.082 | 34% | 0.335 | C | S | . | . | trans | -75.2 | 108.6 | -172.1 | -57.1 | 170.4 | 0 | 0 | 0 | 110.8 | T1131 A1134 I1135 S1202 D1205 R1206 L1209 | T1131-I1200 HydrophobicContact CG2-CG1 4.24Å; A1134-I1200 HydrophobicContact CB-CD1 3.9Å; I1135-I1200 HydrophobicContact CD1-CG1 4.48Å; I1135-I1200 HydrophobicContact CG1-CD1 4.44Å; I1135-I1200 HydrophobicContact CG1-CG1 3.96Å; I1135-I1200 HydrophobicContact CG1-CG2 4.34Å; I1200-S1202 WeakPolarHBondContact CG2-O 3.45Å; I1200-D1205 HydrophobicContact CG2-CB 3.44Å; I1200-D1205 VanDerWaalsContact CG2-CB 3.44Å; I1200-R1206 HydrophobicContact CB-CG 3.94Å; I1200-R1206 HydrophobicContact CG2-CG 3.84Å; I1200-R1206 PolarHBondContact O-NH1 2.69Å; I1200-L1209 HydrophobicContact CD1-CB 4.44Å; I1200-L1209 HydrophobicContact CD1-CD2 3.63Å | ||
| 1201 | R | 82 | Confident | 70.7 | Confident | 148 Ų | 148 | 54.5 Ų | 54.5 | 56% | 0.558 | 31% | 0.305 | S | S | * | . | trans | -76.5 | -39.3 | -176 | -167.8 | -176.5 | -169.1 | 178.9 | 19.2 | 113 | D1070 N1073 G1199 R1206 | D1070-R1201 WeakPolarHBondContact OD1-CD 3.32Å; D1070-R1201 IonicContact OD1-CZ 3.49Å; D1070-R1201 IonicContact OD1-NE 3.59Å; D1070-R1201 PolarHBondContact OD1-NE 2.79Å; D1070-R1201 IonicContact OD1-NH1 2.73Å; D1070-R1201 PolarHBondContact OD1-NH1 3.04Å; D1070-R1201 IonicContact OD1-NH2 2.79Å; D1070-R1201 IonicContact OD2-CZ 2.61Å; D1070-R1201 VanDerWaalsContact OD2-CZ 3.25Å; D1070-R1201 IonicContact OD2-NH1 3.43Å; D1070-R1201 PolarHBondContact OD2-NH1 3.32Å; D1070-R1201 IonicContact OD2-NH2 2.76Å; D1070-R1201 PolarHBondContact OD2-NH2 3.26Å; N1073-R1201 PolarHBondContact OD1-N 2.87Å; G1199-R1201 PolarHBondContact O-N 2.87Å; R1201-R1206 VanDerWaalsContact C-NH1 3.29Å; R1201-R1206 PolarHBondContact O-NH1 3.34Å | ||
| 1202 | S | 85.2 | Confident | 73.4 | Confident | 24 Ų | 24 | 51.7 Ų | 51.7 | 17% | 0.168 | 29% | 0.285 | C | S | . | . | trans | -68.4 | 125.8 | 175.4 | 164.3 | 0 | 0 | 0 | 0 | 111.2 | I1200 D1205 R1206 | I1200-S1202 WeakPolarHBondContact CG2-O 3.45Å; S1202-D1205 WeakPolarHBondContact CB-OD2 3.37Å; S1202-D1205 PolarHBondContact O-N 3.19Å; S1202-D1205 PolarHBondContact OG-N 3.31Å; S1202-D1205 VanDerWaalsContact OG-N 3.16Å; S1202-D1205 PolarHBondContact OG-OD2 3.49Å; S1202-R1206 PolarHBondContact O-N 2.79Å; S1202-R1206 VanDerWaalsContact O-N 3.16Å; S1202-R1206 PolarHBondContact O-NH1 3.21Å | ||
| 1203 | S | 86 | Confident | 76.1 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.2 | -34.8 | 176.4 | 66.9 | 0 | 0 | 0 | 0 | 111.9 | Q875 D879 D1205 R1206 H1207 | Q875-S1203 VanDerWaalsContact CD-OG 3.29Å; Q875-S1203 WeakPolarHBondContact CG-OG 3.48Å; Q875-S1203 VanDerWaalsContact NE2-N 3.16Å; Q875-S1203 PolarHBondContact NE2-OG 3.17Å; Q875-S1203 VanDerWaalsContact NE2-OG 3.09Å; D879-S1203 WeakPolarHBondContact OD1-CB 3.46Å; D879-S1203 PolarHBondContact OD1-OG 3.21Å; D879-S1203 WeakPolarHBondContact OD2-CB 3.45Å; D879-S1203 PolarHBondContact OD2-OG 3.31Å; S1203-D1205 PolarHBondContact O-N 2.75Å; S1203-R1206 CarbonylContact O-C 3.59Å; S1203-R1206 WeakPolarHBondContact O-CA 3.27Å; S1203-R1206 WeakPolarHBondContact O-CB 3.48Å; S1203-R1206 PolarHBondContact O-N 2.68Å; S1203-H1207 VanDerWaalsContact O-CG 3.32Å; S1203-H1207 PolarHBondContact O-N 3.49Å; S1203-H1207 PolarHBondContact O-ND1 3.08Å; S1203-H1207 VanDerWaalsContact O-ND1 3.17Å |
| 1204 | C | 91.1 | Very high | 78.4 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.02 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -49.8 | -45.2 | 168.5 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | A929 H1207 L1208 | A929-C1204 HydrophobicContact CB-CB 4.22Å; A929-C1204 WeakPolarHBondContact CB-O 3.23Å; A929-C1204 VanDerWaalsContact CB-SG 3.57Å; C1204-H1207 PolarHBondContact O-N 2.68Å; C1204-L1208 WeakPolarHBondContact O-CB 3.36Å; C1204-L1208 VanDerWaalsContact O-CG 3.28Å; C1204-L1208 WeakPolarHBondContact O-CG 3.47Å; C1204-L1208 PolarHBondContact O-N 3.28Å |
| 1205 | D | 92.3 | Very high | 80.9 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -73.6 | -31.2 | 177.8 | -70 | -80.5 | 0 | 0 | 0 | 113 | R1139 I1200 S1202 S1203 L1209 | R1139-D1205 IonicContact CZ-OD1 2.69Å; R1139-D1205 IonicContact CZ-OD2 3.17Å; R1139-D1205 IonicContact NE-OD1 3.81Å; R1139-D1205 PolarHBondContact NE-OD1 3.33Å; R1139-D1205 IonicContact NE-OD2 3.25Å; R1139-D1205 IonicContact NH2-OD1 3.37Å; R1139-D1205 PolarHBondContact NH2-OD1 2.58Å; R1139-D1205 IonicContact NH2-OD2 3.24Å; R1139-D1205 PolarHBondContact NH2-OD2 2.77Å; I1200-D1205 HydrophobicContact CG2-CB 3.44Å; I1200-D1205 VanDerWaalsContact CG2-CB 3.44Å; S1202-D1205 WeakPolarHBondContact CB-OD2 3.37Å; S1202-D1205 PolarHBondContact O-N 3.19Å; S1202-D1205 PolarHBondContact OG-N 3.31Å; S1202-D1205 VanDerWaalsContact OG-N 3.16Å; S1202-D1205 PolarHBondContact OG-OD2 3.49Å; S1203-D1205 PolarHBondContact O-N 2.75Å; D1205-L1209 WeakPolarHBondContact O-CB 3.27Å; D1205-L1209 PolarHBondContact O-N 3.25Å |
| 1206 | R | 91.8 | Very high | 83.1 | Confident | 19 Ų | 19 | 29.1 Ų | 29.1 | 7% | 0.072 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.6 | -45.3 | 169.8 | -68 | -165.7 | -64.2 | -81.6 | 6.5 | 111.6 | P1184 Q1185 L1186 I1200 R1201 S1202 S1203 L1209 A1210 | P1184-R1206 HydrophobicContact CB-CB 3.77Å; P1184-R1206 HydrophobicContact CB-CG 4.11Å; Q1185-R1206 WeakPolarHBondContact O-CD 3.39Å; Q1185-R1206 PolarHBondContact O-NE 3.18Å; Q1185-R1206 VanDerWaalsContact O-NE 3.13Å; L1186-R1206 PolarHBondContact O-NH2 3.03Å; I1200-R1206 HydrophobicContact CB-CG 3.94Å; I1200-R1206 HydrophobicContact CG2-CG 3.84Å; I1200-R1206 PolarHBondContact O-NH1 2.69Å; R1201-R1206 VanDerWaalsContact C-NH1 3.29Å; R1201-R1206 PolarHBondContact O-NH1 3.34Å; S1202-R1206 PolarHBondContact O-N 2.79Å; S1202-R1206 VanDerWaalsContact O-N 3.16Å; S1202-R1206 PolarHBondContact O-NH1 3.21Å; S1203-R1206 CarbonylContact O-C 3.59Å; S1203-R1206 WeakPolarHBondContact O-CA 3.27Å; S1203-R1206 WeakPolarHBondContact O-CB 3.48Å; S1203-R1206 PolarHBondContact O-N 2.68Å; R1206-L1209 PolarHBondContact O-N 3.01Å; R1206-A1210 WeakPolarHBondContact O-CB 3.33Å; R1206-A1210 PolarHBondContact O-N 3.47Å |
| 1207 | H | 91.7 | Very high | 85 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 3% | 0.028 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 176.1 | -64.1 | 138.6 | 0 | 0 | 0 | 111.9 | E882 A929 H933 S1203 C1204 A1210 A1211 | E882-H1207 IonicContact OE2-CD2 2.72Å; E882-H1207 IonicContact OE2-CE1 3.21Å; E882-H1207 IonicContact OE2-NE2 2.63Å; E882-H1207 PolarHBondContact OE2-NE2 3.12Å; A929-H1207 HydrophobicContact CB-CB 3.94Å; H933-H1207 HydrophobicContact CB-CB 4.07Å; H933-H1207 AromaticContact CD2-CD2 3.85Å; S1203-H1207 VanDerWaalsContact O-CG 3.32Å; S1203-H1207 PolarHBondContact O-N 3.49Å; S1203-H1207 PolarHBondContact O-ND1 3.08Å; S1203-H1207 VanDerWaalsContact O-ND1 3.17Å; C1204-H1207 PolarHBondContact O-N 2.68Å; H1207-A1210 PolarHBondContact O-N 3.21Å; H1207-A1211 VanDerWaalsContact O-CB 3.26Å; H1207-A1211 WeakPolarHBondContact O-CB 3.32Å; H1207-A1211 PolarHBondContact O-N 2.88Å |
| 1208 | L | 93.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.9 | -38 | 176.5 | -75.9 | 170.4 | 0 | 0 | 0 | 112.4 | L925 A929 C971 A1138 C1204 S1212 | L925-L1208 HydrophobicContact CD1-CD1 3.92Å; L925-L1208 HydrophobicContact CG-CD1 4.39Å; A929-L1208 HydrophobicContact CB-CD1 4.34Å; A929-L1208 HydrophobicContact CB-CD2 4.13Å; A929-L1208 HydrophobicContact CB-CG 3.73Å; C971-L1208 HydrophobicContact CB-CD2 4.38Å; A1138-L1208 HydrophobicContact CB-CB 3.82Å; C1204-L1208 WeakPolarHBondContact O-CB 3.36Å; C1204-L1208 VanDerWaalsContact O-CG 3.28Å; C1204-L1208 WeakPolarHBondContact O-CG 3.47Å; C1204-L1208 PolarHBondContact O-N 3.28Å; L1208-S1212 PolarHBondContact O-N 3.43Å; L1208-S1212 PolarHBondContact O-OG 2.89Å |
| 1209 | L | 93 | Very high | 87.5 | Confident | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.8 | -48.6 | 172.6 | -178.4 | 63.3 | 0 | 0 | 0 | 111.4 | A1134 I1137 A1138 L1180 P1184 I1200 D1205 R1206 A1211 S1212 Q1213 | A1134-L1209 HydrophobicContact CB-CD2 4.09Å; I1137-L1209 HydrophobicContact CG2-CD1 4.19Å; A1138-L1209 HydrophobicContact CB-CB 4.21Å; L1180-L1209 HydrophobicContact CD2-CD1 4.11Å; P1184-L1209 HydrophobicContact CG-CB 4.42Å; P1184-L1209 HydrophobicContact CG-CD2 4.11Å; P1184-L1209 HydrophobicContact CG-CG 4.38Å; I1200-L1209 HydrophobicContact CD1-CB 4.44Å; I1200-L1209 HydrophobicContact CD1-CD2 3.63Å; D1205-L1209 WeakPolarHBondContact O-CB 3.27Å; D1205-L1209 PolarHBondContact O-N 3.25Å; R1206-L1209 PolarHBondContact O-N 3.01Å; L1209-A1211 VanDerWaalsContact C-N 3.29Å; L1209-A1211 PolarHBondContact O-N 2.88Å; L1209-S1212 CarbonylContact O-C 3.53Å; L1209-S1212 WeakPolarHBondContact O-CA 3.31Å; L1209-S1212 PolarHBondContact O-N 3.31Å; L1209-Q1213 WeakPolarHBondContact O-CG 3.48Å; L1209-Q1213 PolarHBondContact O-N 2.67Å |
| 1210 | A | 90.1 | Very high | 88.1 | Confident | 6 Ų | 6 | 25.1 Ų | 25.1 | 5% | 0.05 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.7 | -36.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H933 P1184 R1206 H1207 S1212 Q1213 N1214 | H933-A1210 WeakPolarHBondContact ND1-CB 3.37Å; P1184-A1210 HydrophobicContact CG-CB 4.16Å; R1206-A1210 WeakPolarHBondContact O-CB 3.33Å; R1206-A1210 PolarHBondContact O-N 3.47Å; H1207-A1210 PolarHBondContact O-N 3.21Å; A1210-S1212 VanDerWaalsContact C-N 3.33Å; A1210-S1212 PolarHBondContact O-N 3.48Å; A1210-Q1213 WeakPolarHBondContact O-CB 3.4Å; A1210-Q1213 PolarHBondContact O-N 3.05Å; A1210-N1214 PolarHBondContact O-N 3.47Å |
| 1211 | A | 88.8 | Confident | 88.3 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62 | -38.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R932 H1207 L1209 N1214 R1215 | R932-A1211 HydrophobicContact CB-CB 4.03Å; R932-A1211 HydrophobicContact CG-CB 3.6Å; H1207-A1211 VanDerWaalsContact O-CB 3.26Å; H1207-A1211 WeakPolarHBondContact O-CB 3.32Å; H1207-A1211 PolarHBondContact O-N 2.88Å; L1209-A1211 VanDerWaalsContact C-N 3.29Å; L1209-A1211 PolarHBondContact O-N 2.88Å; A1211-N1214 PolarHBondContact O-N 3.46Å; A1211-R1215 WeakPolarHBondContact O-CG 3.24Å; A1211-R1215 PolarHBondContact O-N 3.29Å |
| 1212 | S | 89.7 | Confident | 88.7 | Confident | 11 Ų | 11 | 17.4 Ų | 17.4 | 8% | 0.077 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -74.9 | -31.3 | 175.8 | -68.7 | 0 | 0 | 0 | 0 | 112.7 | R932 L1208 L1209 A1210 N1214 R1215 I1216 | R932-S1212 PolarHBondContact NH1-OG 3.47Å; L1208-S1212 PolarHBondContact O-N 3.43Å; L1208-S1212 PolarHBondContact O-OG 2.89Å; L1209-S1212 CarbonylContact O-C 3.53Å; L1209-S1212 WeakPolarHBondContact O-CA 3.31Å; L1209-S1212 PolarHBondContact O-N 3.31Å; A1210-S1212 VanDerWaalsContact C-N 3.33Å; A1210-S1212 PolarHBondContact O-N 3.48Å; S1212-N1214 VanDerWaalsContact C-N 3.33Å; S1212-R1215 PolarHBondContact O-N 3.38Å; S1212-I1216 PolarHBondContact O-N 2.99Å |
| 1213 | Q | 89.1 | Confident | 89 | Confident | 3 Ų | 3 | 16.7 Ų | 16.7 | 1% | 0.014 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.4 | -42.3 | 167.4 | -70.1 | 169.9 | -14.1 | 0 | 0 | 111.2 | L1180 K1182 L1209 A1210 R1215 I1216 W1292 | L1180-Q1213 PolarHBondContact O-NE2 2.9Å; K1182-Q1213 PolarHBondContact O-NE2 2.77Å; L1209-Q1213 WeakPolarHBondContact O-CG 3.48Å; L1209-Q1213 PolarHBondContact O-N 2.67Å; A1210-Q1213 WeakPolarHBondContact O-CB 3.4Å; A1210-Q1213 PolarHBondContact O-N 3.05Å; Q1213-R1215 VanDerWaalsContact C-N 3.26Å; Q1213-R1215 PolarHBondContact O-N 3.1Å; Q1213-I1216 VanDerWaalsContact O-CG2 3.23Å; Q1213-I1216 WeakPolarHBondContact O-CG2 3.36Å; Q1213-W1292 HydrophobicContact CB-CH2 4.15Å; Q1213-W1292 HydrophobicContact CB-CZ2 3.88Å; Q1213-W1292 HydrophobicContact CG-CH2 4.5Å; Q1213-W1292 HydrophobicContact CG-CZ2 3.95Å |
| 1214 | N | 81 | Confident | 89.3 | Confident | 48 Ų | 48 | 16.7 Ų | 16.7 | 26% | 0.257 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -67 | -23.7 | 176.3 | -68.6 | -14.5 | 0 | 0 | 0 | 113.4 | A1210 A1211 S1212 R1296 | A1210-N1214 PolarHBondContact O-N 3.47Å; A1211-N1214 PolarHBondContact O-N 3.46Å; S1212-N1214 VanDerWaalsContact C-N 3.33Å; N1214-R1296 PolarHBondContact O-NH1 3.31Å |
| 1215 | R | 83 | Confident | 89.3 | Confident | 54 Ų | 54 | 16.6 Ų | 16.6 | 20% | 0.204 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -94 | -10.7 | -177.6 | -69.4 | -57.2 | -164.6 | -142.4 | -3.4 | 116.2 | E470 H935 D978 A1211 S1212 Q1213 | E470-R1215 IonicContact OE2-CZ 2.71Å; E470-R1215 IonicContact OE2-NH1 3.46Å; E470-R1215 PolarHBondContact OE2-NH1 3.42Å; H935-R1215 PolarHBondContact CD2-NH2 2.65Å; H935-R1215 PolarHBondContact CE1-NH2 3.25Å; H935-R1215 PolarHBondContact ND1-NH2 2.93Å; H935-R1215 PolarHBondContact NE2-NH2 2.92Å; D978-R1215 IonicContact OD2-NE 3.71Å; D978-R1215 PolarHBondContact OD2-NE 2.9Å; D978-R1215 IonicContact OD2-NH2 3.67Å; A1211-R1215 WeakPolarHBondContact O-CG 3.24Å; A1211-R1215 PolarHBondContact O-N 3.29Å; S1212-R1215 PolarHBondContact O-N 3.38Å; Q1213-R1215 VanDerWaalsContact C-N 3.26Å; Q1213-R1215 PolarHBondContact O-N 3.1Å |
| 1216 | I | 88.5 | Confident | 89.2 | Confident | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -57.2 | 135.8 | 179.3 | -164.6 | -180 | 0 | 0 | 0 | 111.9 | L1144 E1145 I1148 F1181 S1212 Q1213 D1218 A1220 V1221 W1292 R1296 | L1144-I1216 HydrophobicContact CD2-CB 4.36Å; L1144-I1216 HydrophobicContact CD2-CD1 3.87Å; L1144-I1216 HydrophobicContact CD2-CG1 4.36Å; L1144-I1216 HydrophobicContact CG-CD1 4.03Å; E1145-I1216 HydrophobicContact CG-CG1 3.96Å; E1145-I1216 WeakPolarHBondContact OE1-CA 3.32Å; I1148-I1216 HydrophobicContact CD1-CD1 3.61Å; F1181-I1216 HydrophobicContact CZ-CD1 4.04Å; S1212-I1216 PolarHBondContact O-N 2.99Å; Q1213-I1216 VanDerWaalsContact O-CG2 3.23Å; Q1213-I1216 WeakPolarHBondContact O-CG2 3.36Å; I1216-D1218 PolarHBondContact O-N 3.23Å; I1216-A1220 HydrophobicContact CD1-CB 4.05Å; I1216-A1220 HydrophobicContact CG1-CB 4.06Å; I1216-V1221 HydrophobicContact CD1-CG2 3.95Å; I1216-V1221 HydrophobicContact CG1-CG2 4.45Å; I1216-V1221 HydrophobicContact CG2-CG2 3.64Å; I1216-W1292 HydrophobicContact CG2-CH2 4.25Å; I1216-W1292 HydrophobicContact CG2-CZ3 3.97Å; I1216-R1296 PolarHBondContact O-NE 3.47Å; I1216-R1296 PolarHBondContact O-NH1 3.28Å; I1216-R1296 PolarHBondContact O-NH2 3.04Å |
| 1217 | V | 87 | Confident | 89.2 | Confident | 87 Ų | 87 | 16.7 Ų | 16.7 | 53% | 0.527 | 10% | 0.1 | S | C | . | . | trans | -65.8 | 132.1 | 172.1 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | E1145 G1219 A1220 | E1145-V1217 WeakPolarHBondContact OE1-CG2 3.22Å; E1145-V1217 PolarHBondContact OE1-N 3.29Å; V1217-G1219 PolarHBondContact O-N 3.32Å; V1217-G1219 VanDerWaalsContact O-N 3.12Å; V1217-A1220 WeakPolarHBondContact O-CB 3.35Å; V1217-A1220 PolarHBondContact O-N 3.46Å | ||
| 1218 | D | 85.4 | Confident | 89.2 | Confident | 45 Ų | 45 | 16.4 Ų | 16.4 | 24% | 0.241 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -51.6 | -40.2 | -174.3 | -54.6 | 8.1 | 0 | 0 | 0 | 112.8 | I1216 A1220 V1221 F1222 R1296 S1300 | I1216-D1218 PolarHBondContact O-N 3.23Å; D1218-A1220 VanDerWaalsContact C-N 3.27Å; D1218-A1220 PolarHBondContact O-N 2.93Å; D1218-V1221 WeakPolarHBondContact O-CB 3.35Å; D1218-V1221 PolarHBondContact O-N 2.78Å; D1218-F1222 VanDerWaalsContact O-CD2 3.3Å; D1218-F1222 WeakPolarHBondContact O-CD2 3.35Å; D1218-F1222 PolarHBondContact O-N 2.96Å; D1218-R1296 IonicContact OD1-CZ 3.43Å; D1218-R1296 VanDerWaalsContact OD1-CZ 3.23Å; D1218-R1296 IonicContact OD1-NE 2.73Å; D1218-R1296 PolarHBondContact OD1-NE 2.9Å; D1218-R1296 IonicContact OD1-NH2 3.55Å; D1218-R1296 PolarHBondContact OD1-NH2 2.58Å; D1218-S1300 WeakPolarHBondContact OD2-CB 3.41Å |
| 1219 | G | 85.7 | Confident | 89 | Confident | 36 Ų | 36 | 16.9 Ų | 16.9 | 37% | 0.371 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -59.1 | -31.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1217 F1222 A1223 | V1217-G1219 PolarHBondContact O-N 3.32Å; V1217-G1219 VanDerWaalsContact O-N 3.12Å; G1219-F1222 PolarHBondContact O-N 3.5Å; G1219-A1223 WeakPolarHBondContact O-CB 3.34Å; G1219-A1223 PolarHBondContact O-N 3.06Å |
| 1220 | A | 89.5 | Confident | 88.8 | Confident | 11 Ų | 11 | 18.1 Ų | 18.1 | 9% | 0.091 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -72.6 | -34.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1145 I1148 I1216 V1217 D1218 A1223 V1224 | E1145-A1220 HydrophobicContact CG-CB 4.26Å; I1148-A1220 HydrophobicContact CD1-CB 4.48Å; I1148-A1220 HydrophobicContact CG2-CB 4.4Å; I1216-A1220 HydrophobicContact CD1-CB 4.05Å; I1216-A1220 HydrophobicContact CG1-CB 4.06Å; V1217-A1220 WeakPolarHBondContact O-CB 3.35Å; V1217-A1220 PolarHBondContact O-N 3.46Å; D1218-A1220 VanDerWaalsContact C-N 3.27Å; D1218-A1220 PolarHBondContact O-N 2.93Å; A1220-A1223 PolarHBondContact O-N 3.43Å; A1220-V1224 WeakPolarHBondContact O-CG2 3.42Å; A1220-V1224 PolarHBondContact O-N 3.41Å |
| 1221 | V | 91.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.8 | -48.3 | 170.2 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | F1181 I1216 D1218 A1223 V1224 L1225 W1292 V1293 | F1181-V1221 HydrophobicContact CE1-CG1 4.25Å; F1181-V1221 HydrophobicContact CE1-CG2 4.24Å; I1216-V1221 HydrophobicContact CD1-CG2 3.95Å; I1216-V1221 HydrophobicContact CG1-CG2 4.45Å; I1216-V1221 HydrophobicContact CG2-CG2 3.64Å; D1218-V1221 WeakPolarHBondContact O-CB 3.35Å; D1218-V1221 PolarHBondContact O-N 2.78Å; V1221-A1223 VanDerWaalsContact C-N 3.32Å; V1221-A1223 PolarHBondContact O-N 3.2Å; V1221-V1224 PolarHBondContact O-N 2.92Å; V1221-L1225 HydrophobicContact CG1-CD1 4Å; V1221-L1225 HydrophobicContact CG1-CG 4.39Å; V1221-L1225 WeakPolarHBondContact O-CB 3.37Å; V1221-L1225 VanDerWaalsContact O-CG 3.32Å; V1221-L1225 WeakPolarHBondContact O-CG 3.32Å; V1221-L1225 PolarHBondContact O-N 3.13Å; V1221-W1292 HydrophobicContact CG2-CZ3 4.37Å; V1221-V1293 HydrophobicContact CG1-CG1 3.97Å |
| 1222 | F | 90 | Very high | 88.6 | Confident | 1 Ų | 1 | 18 Ų | 18 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.1 | -37.5 | 175.8 | -78.6 | -70.8 | 0 | 0 | 0 | 113.2 | D1218 G1219 L1225 K1226 C1297 S1300 L1301 D1307 L1308 I1325 | D1218-F1222 VanDerWaalsContact O-CD2 3.3Å; D1218-F1222 WeakPolarHBondContact O-CD2 3.35Å; D1218-F1222 PolarHBondContact O-N 2.96Å; G1219-F1222 PolarHBondContact O-N 3.5Å; F1222-L1225 PolarHBondContact O-N 3.15Å; F1222-K1226 WeakPolarHBondContact O-CB 3.25Å; F1222-K1226 WeakPolarHBondContact O-CD 3.48Å; F1222-K1226 WeakPolarHBondContact O-CG 3.39Å; F1222-K1226 PolarHBondContact O-N 3.44Å; F1222-C1297 HydrophobicContact CE1-CB 4.15Å; F1222-C1297 HydrophobicContact CE2-CB 4.31Å; F1222-C1297 HydrophobicContact CZ-CB 3.55Å; F1222-S1300 WeakPolarHBondContact CE2-OG 3.45Å; F1222-L1301 HydrophobicContact CE1-CD1 3.78Å; F1222-L1301 HydrophobicContact CE1-CD2 4.14Å; F1222-L1301 HydrophobicContact CE1-CG 4.07Å; F1222-L1301 HydrophobicContact CE2-CG 4.39Å; F1222-L1301 HydrophobicContact CZ-CD1 3.62Å; F1222-L1301 HydrophobicContact CZ-CD2 3.95Å; F1222-L1301 HydrophobicContact CZ-CG 3.56Å; F1222-D1307 HydrophobicContact CD1-CB 4.41Å; F1222-D1307 HydrophobicContact CD2-CB 3.92Å; F1222-D1307 HydrophobicContact CE2-CB 4.26Å; F1222-D1307 HydrophobicContact CG-CB 4.03Å; F1222-L1308 HydrophobicContact CD1-CD2 4.25Å; F1222-L1308 HydrophobicContact CD1-CG 4.36Å; F1222-L1308 HydrophobicContact CE1-CD2 4.35Å; F1222-L1308 HydrophobicContact CE1-CG 4.15Å; F1222-I1325 HydrophobicContact CE1-CD1 4.13Å |
| 1223 | A | 90.2 | Very high | 88.2 | Confident | 10 Ų | 10 | 19.9 Ų | 19.9 | 8% | 0.083 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66 | -40.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1153 G1219 A1220 V1221 A1227 | I1153-A1223 HydrophobicContact CD1-CB 3.54Å; I1153-A1223 HydrophobicContact CG1-CB 4.44Å; G1219-A1223 WeakPolarHBondContact O-CB 3.34Å; G1219-A1223 PolarHBondContact O-N 3.06Å; A1220-A1223 PolarHBondContact O-N 3.43Å; V1221-A1223 VanDerWaalsContact C-N 3.32Å; V1221-A1223 PolarHBondContact O-N 3.2Å; A1223-A1227 WeakPolarHBondContact O-CB 3.34Å; A1223-A1227 PolarHBondContact O-N 3.25Å |
| 1224 | V | 92.8 | Very high | 87.2 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.5 | -50.7 | 170.8 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | I1148 L1177 F1181 A1220 V1221 K1226 A1227 V1228 | I1148-V1224 HydrophobicContact CB-CG2 4.34Å; I1148-V1224 HydrophobicContact CD1-CG2 3.75Å; I1148-V1224 HydrophobicContact CG1-CG2 3.75Å; I1148-V1224 HydrophobicContact CG2-CG2 3.66Å; L1177-V1224 HydrophobicContact CD1-CG1 4.1Å; L1177-V1224 HydrophobicContact CD2-CG1 4.11Å; L1177-V1224 HydrophobicContact CD2-CG2 3.93Å; F1181-V1224 HydrophobicContact CE2-CG1 4.27Å; F1181-V1224 HydrophobicContact CE2-CG2 4.24Å; F1181-V1224 HydrophobicContact CZ-CB 4.22Å; F1181-V1224 HydrophobicContact CZ-CG1 4.18Å; F1181-V1224 HydrophobicContact CZ-CG2 4.03Å; A1220-V1224 WeakPolarHBondContact O-CG2 3.42Å; A1220-V1224 PolarHBondContact O-N 3.41Å; V1221-V1224 PolarHBondContact O-N 2.92Å; V1224-K1226 VanDerWaalsContact C-N 3.34Å; V1224-K1226 PolarHBondContact O-N 2.84Å; V1224-A1227 PolarHBondContact O-N 3.07Å; V1224-V1228 HydrophobicContact CG1-CG2 4.32Å; V1224-V1228 WeakPolarHBondContact O-CG2 3.43Å; V1224-V1228 PolarHBondContact O-N 3.31Å |
| 1225 | L | 91.9 | Very high | 85.9 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.5 | -41.6 | -179.1 | -71 | 177.6 | 0 | 0 | 0 | 112.1 | V1221 F1222 F1229 L1284 I1287 V1293 L1321 I1325 | V1221-L1225 HydrophobicContact CG1-CD1 4Å; V1221-L1225 HydrophobicContact CG1-CG 4.39Å; V1221-L1225 WeakPolarHBondContact O-CB 3.37Å; V1221-L1225 VanDerWaalsContact O-CG 3.32Å; V1221-L1225 WeakPolarHBondContact O-CG 3.32Å; V1221-L1225 PolarHBondContact O-N 3.13Å; F1222-L1225 PolarHBondContact O-N 3.15Å; L1225-F1229 WeakPolarHBondContact O-CB 3.44Å; L1225-F1229 PolarHBondContact O-N 3.48Å; L1225-L1284 HydrophobicContact CB-CD1 4.45Å; L1225-L1284 HydrophobicContact CD2-CD1 3.69Å; L1225-I1287 HydrophobicContact CD2-CG2 3.87Å; L1225-V1293 HydrophobicContact CD1-CG1 4.28Å; L1225-L1321 HydrophobicContact CB-CD1 4.22Å; L1225-L1321 HydrophobicContact CB-CD2 4.34Å; L1225-I1325 HydrophobicContact CD1-CD1 4.03Å; L1225-I1325 HydrophobicContact CD1-CG1 4.3Å |
| 1226 | K | 90.3 | Very high | 84.3 | Confident | 19 Ų | 19 | 26 Ų | 26 | 8% | 0.083 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.6 | -52.1 | 171.9 | -74.5 | 163.9 | -176.8 | 174 | 0 | 111.6 | F1222 V1224 F1229 V1230 D1307 D1310 L1313 | F1222-K1226 WeakPolarHBondContact O-CB 3.25Å; F1222-K1226 WeakPolarHBondContact O-CD 3.48Å; F1222-K1226 WeakPolarHBondContact O-CG 3.39Å; F1222-K1226 PolarHBondContact O-N 3.44Å; V1224-K1226 VanDerWaalsContact C-N 3.34Å; V1224-K1226 PolarHBondContact O-N 2.84Å; K1226-F1229 PolarHBondContact O-N 2.81Å; K1226-V1230 WeakPolarHBondContact O-CG2 3.28Å; K1226-V1230 PolarHBondContact O-N 2.99Å; K1226-D1307 WeakPolarHBondContact CE-O 3.32Å; K1226-D1307 PolarHBondContact NZ-O 3.38Å; K1226-D1310 VanDerWaalsContact NZ-CB 3.31Å; K1226-D1310 IonicContact NZ-OD2 3.53Å; K1226-D1310 PolarHBondContact NZ-OD2 2.96Å; K1226-L1313 HydrophobicContact CG-CD1 3.94Å; K1226-L1313 HydrophobicContact CG-CG 4.26Å |
| 1227 | A | 90.8 | Very high | 81.7 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.4 | -43.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1156 A1223 V1224 V1230 L1231 | L1156-A1227 HydrophobicContact CB-CB 3.97Å; L1156-A1227 HydrophobicContact CD1-CB 3.69Å; A1223-A1227 WeakPolarHBondContact O-CB 3.34Å; A1223-A1227 PolarHBondContact O-N 3.25Å; V1224-A1227 PolarHBondContact O-N 3.07Å; A1227-V1230 PolarHBondContact O-N 3.49Å; A1227-L1231 WeakPolarHBondContact O-CB 3.5Å; A1227-L1231 PolarHBondContact O-N 3.13Å |
| 1228 | V | 91.9 | Very high | 79.4 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.2 | -34.2 | 175.4 | -174.8 | 0 | 0 | 0 | 0 | 111.1 | L1156 L1177 V1224 G1232 A1280 V1283 L1284 | L1156-V1228 HydrophobicContact CD1-CG2 3.65Å; L1156-V1228 HydrophobicContact CD2-CG2 4.47Å; L1177-V1228 HydrophobicContact CD1-CG2 4.18Å; V1224-V1228 HydrophobicContact CG1-CG2 4.32Å; V1224-V1228 WeakPolarHBondContact O-CG2 3.43Å; V1224-V1228 PolarHBondContact O-N 3.31Å; V1228-G1232 PolarHBondContact O-N 3.38Å; V1228-A1280 HydrophobicContact CG1-CB 4.09Å; V1228-A1280 WeakPolarHBondContact CG1-O 3.39Å; V1228-V1283 HydrophobicContact CG1-CB 4.46Å; V1228-V1283 HydrophobicContact CG1-CG1 4.27Å; V1228-L1284 HydrophobicContact CB-CD1 4.46Å; V1228-L1284 HydrophobicContact CG1-CB 3.96Å |
| 1229 | F | 89.8 | Confident | 76.9 | Confident | 11 Ų | 11 | 34.4 Ų | 34.4 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.5 | -49.8 | 172.3 | -172.5 | -70.1 | 0 | 0 | 0 | 111.6 | L1225 K1226 L1231 G1232 D1233 L1284 L1313 Q1317 R1320 L1321 L1324 | L1225-F1229 WeakPolarHBondContact O-CB 3.44Å; L1225-F1229 PolarHBondContact O-N 3.48Å; K1226-F1229 PolarHBondContact O-N 2.81Å; F1229-L1231 VanDerWaalsContact C-N 3.33Å; F1229-L1231 PolarHBondContact O-N 2.91Å; F1229-G1232 CarbonylContact O-C 2.84Å; F1229-G1232 WeakPolarHBondContact O-CA 3.48Å; F1229-G1232 PolarHBondContact O-N 3.3Å; F1229-D1233 HydrophobicContact CD1-CB 4.06Å; F1229-D1233 HydrophobicContact CE1-CB 3.59Å; F1229-D1233 HydrophobicContact CZ-CB 4.37Å; F1229-D1233 WeakPolarHBondContact O-CB 3.33Å; F1229-D1233 PolarHBondContact O-N 3.48Å; F1229-L1284 HydrophobicContact CB-CD2 4.03Å; F1229-L1284 HydrophobicContact CD2-CD2 3.62Å; F1229-L1284 HydrophobicContact CE2-CD2 4.49Å; F1229-L1284 HydrophobicContact CG-CD2 4.24Å; F1229-L1313 HydrophobicContact CD1-CD2 4.14Å; F1229-Q1317 HydrophobicContact CD1-CB 4.2Å; F1229-Q1317 HydrophobicContact CE1-CB 3.49Å; F1229-Q1317 VanDerWaalsContact CE1-CB 3.49Å; F1229-Q1317 HydrophobicContact CE1-CG 3.69Å; F1229-Q1317 HydrophobicContact CZ-CB 4Å; F1229-Q1317 HydrophobicContact CZ-CG 4.33Å; F1229-R1320 HydrophobicContact CE2-CB 3.77Å; F1229-R1320 HydrophobicContact CZ-CB 3.78Å; F1229-L1321 HydrophobicContact CD2-CB 3.71Å; F1229-L1321 HydrophobicContact CD2-CD1 4.05Å; F1229-L1321 HydrophobicContact CD2-CG 4.33Å; F1229-L1321 HydrophobicContact CE2-CB 4.01Å; F1229-L1321 HydrophobicContact CG-CB 4.43Å; F1229-L1324 HydrophobicContact CE2-CD1 4.46Å |
| 1230 | V | 88.3 | Confident | 74.3 | Confident | 29 Ų | 29 | 36.1 Ų | 36.1 | 18% | 0.176 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.6 | -42.7 | -179.2 | 169.4 | 0 | 0 | 0 | 0 | 111 | A1160 K1226 A1227 G1232 D1233 A1234 V1312 L1313 | A1160-V1230 HydrophobicContact CB-CG1 3.91Å; K1226-V1230 WeakPolarHBondContact O-CG2 3.28Å; K1226-V1230 PolarHBondContact O-N 2.99Å; A1227-V1230 PolarHBondContact O-N 3.49Å; V1230-G1232 VanDerWaalsContact C-N 3.31Å; V1230-G1232 PolarHBondContact O-N 3.18Å; V1230-D1233 PolarHBondContact O-N 2.93Å; V1230-A1234 WeakPolarHBondContact O-CB 3.26Å; V1230-A1234 PolarHBondContact O-N 3.44Å; V1230-A1234 VanDerWaalsContact O-N 3.1Å; V1230-V1312 HydrophobicContact CG2-CG1 4.14Å; V1230-L1313 HydrophobicContact CG2-CD2 3.64Å |
| 1231 | L | 88.5 | Confident | 71.5 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.7 | -35.6 | 173.9 | -174.8 | 63.4 | 0 | 0 | 0 | 112.8 | L1156 A1159 A1160 A1170 A1227 F1229 L1276 A1280 | L1156-L1231 HydrophobicContact CD2-CD2 3.52Å; A1159-L1231 HydrophobicContact CB-CD1 3.81Å; A1160-L1231 HydrophobicContact CB-CD1 4.23Å; A1170-L1231 HydrophobicContact CB-CD2 4.19Å; A1227-L1231 WeakPolarHBondContact O-CB 3.5Å; A1227-L1231 PolarHBondContact O-N 3.13Å; F1229-L1231 VanDerWaalsContact C-N 3.33Å; F1229-L1231 PolarHBondContact O-N 2.91Å; L1231-L1276 HydrophobicContact CD1-CD2 3.84Å; L1231-L1276 HydrophobicContact CD1-CG 4.29Å; L1231-L1276 HydrophobicContact CD2-CD1 4.2Å; L1231-L1276 HydrophobicContact CD2-CD2 4.06Å; L1231-L1276 HydrophobicContact CD2-CG 4.03Å; L1231-L1276 HydrophobicContact CG-CD2 4.27Å; L1231-L1276 HydrophobicContact CG-CG 4.23Å; L1231-A1280 HydrophobicContact CB-CB 4.37Å; L1231-A1280 HydrophobicContact CD2-CB 4.26Å; L1231-A1280 HydrophobicContact CG-CB 4.17Å |
| 1232 | G | 85.5 | Confident | 68.3 | Low | 4 Ų | 4 | 50.8 Ų | 50.8 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -75.7 | -30 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V1228 F1229 V1230 K1281 | V1228-G1232 PolarHBondContact O-N 3.38Å; F1229-G1232 CarbonylContact O-C 2.84Å; F1229-G1232 WeakPolarHBondContact O-CA 3.48Å; F1229-G1232 PolarHBondContact O-N 3.3Å; V1230-G1232 VanDerWaalsContact C-N 3.31Å; V1230-G1232 PolarHBondContact O-N 3.18Å; G1232-K1281 VanDerWaalsContact O-CE 3.25Å; G1232-K1281 WeakPolarHBondContact O-CE 3.42Å; G1232-K1281 PolarHBondContact O-NZ 3.2Å |
| 1233 | D | 82 | Confident | 65.4 | Low | 50 Ų | 50 | 56.7 Ų | 56.7 | 27% | 0.267 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -93.9 | -9 | -177.9 | -153 | 65.9 | 0 | 0 | 0 | 112.6 | F1229 V1230 E1235 Q1317 R1320 | F1229-D1233 HydrophobicContact CD1-CB 4.06Å; F1229-D1233 HydrophobicContact CE1-CB 3.59Å; F1229-D1233 HydrophobicContact CZ-CB 4.37Å; F1229-D1233 WeakPolarHBondContact O-CB 3.33Å; F1229-D1233 PolarHBondContact O-N 3.48Å; V1230-D1233 PolarHBondContact O-N 2.93Å; D1233-E1235 PolarHBondContact O-N 3.37Å; D1233-Q1317 WeakPolarHBondContact OD2-CG 3.19Å; D1233-Q1317 PolarHBondContact OD2-NE2 3.4Å; D1233-R1320 IonicContact OD1-NH1 3.74Å; D1233-R1320 PolarHBondContact OD1-NH1 3.26Å; D1233-R1320 IonicContact OD2-NH1 2.74Å; D1233-R1320 PolarHBondContact OD2-NH1 3.03Å |
| 1234 | A | 67.5 | Low | 62.5 | Low | 25 Ų | 25 | 62 Ų | 62 | 21% | 0.207 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -65.9 | 121.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1230 L1236 | V1230-A1234 WeakPolarHBondContact O-CB 3.26Å; V1230-A1234 PolarHBondContact O-N 3.44Å; V1230-A1234 VanDerWaalsContact O-N 3.1Å; A1234-L1236 VanDerWaalsContact C-N 3.27Å; A1234-L1236 PolarHBondContact O-N 3.12Å |
| 1235 | E | 53.4 | Low | 59.4 | Low | 147 Ų | 147 | 65.7 Ų | 65.7 | 69% | 0.687 | 40% | 0.403 | S | S | * | . | trans | -72.3 | 79.4 | 170.5 | -68.8 | -171 | 154.1 | 0 | 0 | 110.7 | D1233 K1237 | D1233-E1235 PolarHBondContact O-N 3.37Å; E1235-K1237 VanDerWaalsContact C-N 3.28Å; E1235-K1237 HydrophobicContact CB-CG 4.47Å; E1235-K1237 PolarHBondContact O-N 3.18Å; E1235-K1237 WeakPolarHBondContact OE2-CE 3.5Å; E1235-K1237 IonicContact OE2-NZ 2.9Å; E1235-K1237 PolarHBondContact OE2-NZ 2.9Å | ||
| 1236 | L | 49.6 | Very low | 56.3 | Low | 61 Ų | 61 | 69.5 Ų | 69.5 | 32% | 0.319 | 44% | 0.443 | S | S | . | . | trans | -66.3 | 83.3 | 173.4 | -70.5 | 173.2 | 0 | 0 | 0 | 110.8 | A1234 G1238 L1276 | A1234-L1236 VanDerWaalsContact C-N 3.27Å; A1234-L1236 PolarHBondContact O-N 3.12Å; L1236-G1238 PolarHBondContact O-N 2.74Å; L1236-L1276 HydrophobicContact CD1-CB 4.3Å | ||
| 1237 | K | 35 | Very low | 53.2 | Low | 179 Ų | 179 | 75.4 Ų | 75.4 | 78% | 0.778 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 54.4 | -177.7 | -76.2 | 166.6 | 179.7 | 152.3 | 0 | 113.3 | E1235 | E1235-K1237 VanDerWaalsContact C-N 3.28Å; E1235-K1237 HydrophobicContact CB-CG 4.47Å; E1235-K1237 PolarHBondContact O-N 3.18Å; E1235-K1237 WeakPolarHBondContact OE2-CE 3.5Å; E1235-K1237 IonicContact OE2-NZ 2.9Å; E1235-K1237 PolarHBondContact OE2-NZ 2.9Å |
| 1238 | G | 38.6 | Very low | 50.1 | Low | 48 Ų | 48 | 83.4 Ų | 83.4 | 50% | 0.495 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | -19.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1236 G1240 | L1236-G1238 PolarHBondContact O-N 2.74Å; G1238-G1240 PolarHBondContact O-N 2.96Å; G1238-G1240 VanDerWaalsContact O-N 3.1Å |
| 1239 | S | 32.7 | Very low | 46.9 | Very low | 84 Ų | 84 | 92 Ų | 92 | 59% | 0.587 | 56% | 0.557 | S | S | * | * | trans | -73.6 | 105.2 | -176 | -172.5 | 0 | 0 | 0 | 0 | 112.4 | F1241 | S1239-F1241 PolarHBondContact O-N 3.16Š| ||
| 1240 | G | 29.8 | Very low | 43.9 | Very low | 73 Ų | 73 | 99.6 Ų | 99.6 | 75% | 0.753 | 60% | 0.598 | S | S | * | * | trans | -72.3 | 32.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | G1238 | G1238-G1240 PolarHBondContact O-N 2.96Å; G1238-G1240 VanDerWaalsContact O-N 3.1Å | ||
| 1241 | F | 31.3 | Very low | 41 | Very low | 188 Ų | 188 | 104 Ų | 104 | 83% | 0.825 | 63% | 0.627 | S | S | * | * | trans | -100 | 69.3 | 176.4 | -99.4 | -83.3 | 0 | 0 | 0 | 112.5 | S1239 V1243 | S1239-F1241 PolarHBondContact O-N 3.16Å; F1241-V1243 PolarHBondContact O-N 2.94Å | ||
| 1242 | T | 25.3 | Very low | 38 | Very low | 132 Ų | 132 | 113 Ų | 113 | 81% | 0.81 | 67% | 0.669 | S | S | * | * | trans | -71.8 | 94 | 171.5 | 54.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1243 | V | 27.6 | Very low | 35.3 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 76% | 0.758 | 71% | 0.711 | S | S | * | * | trans | -84.9 | 119.7 | 158.7 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | F1241 | F1241-V1243 PolarHBondContact O-N 2.94Š| ||
| 1244 | P | 30 | Very low | 32.6 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | trans | -86.8 | 136.1 | -177.4 | 32.8 | -33.3 | 0 | 0 | 0 | 112.5 | ||||
| 1245 | G | 27 | Very low | 30.6 | Very low | 79 Ų | 79 | 131.8 Ų | 131.8 | 81% | 0.814 | 77% | 0.771 | S | S | * | * | trans | 104 | 137.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1246 | G | 26.9 | Very low | 29.2 | Very low | 81 Ų | 81 | 128.7 Ų | 128.7 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | cis | -169 | 168.6 | -1.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1247 | T | 26 | Very low | 27.9 | Very low | 143 Ų | 143 | 130 Ų | 130 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -93.4 | 128.5 | 178.5 | -52.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1248 | E | 25 | Very low | 27.4 | Very low | 171 Ų | 171 | 125.2 Ų | 125.2 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | trans | 177.1 | 127 | 150.2 | -98.7 | 161.3 | -172.9 | 0 | 0 | 105.9 | ||||
| 1249 | E | 24.8 | Very low | 26.9 | Very low | 182 Ų | 182 | 128.9 Ų | 128.9 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | 50.1 | 110.5 | 85.5 | -69.1 | -161.8 | 170.6 | 0 | 0 | 114.2 | |||||
| 1250 | L | 26.4 | Very low | 26.5 | Very low | 170 Ų | 170 | 130.8 Ų | 130.8 | 89% | 0.89 | 84% | 0.84 | S | S | * | * | trans | -137.7 | 122.6 | 160.4 | -82.6 | 176.2 | 0 | 0 | 0 | 109.1 | ||||
| 1251 | P | 28.4 | Very low | 26.4 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 79% | 0.786 | 84% | 0.838 | S | S | * | * | trans | -86.9 | 170 | -177.8 | 35.4 | -36.4 | 0 | 0 | 0 | 113.4 | ||||
| 1252 | E | 25.8 | Very low | 26.1 | Very low | 191 Ų | 191 | 132.1 Ų | 132.1 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | trans | -67.3 | 143.1 | 168.3 | -53.1 | 176.7 | 115.7 | 0 | 0 | 111.9 | ||||
| 1253 | E | 28.3 | Very low | 26.1 | Very low | 197 Ų | 197 | 137.8 Ų | 137.8 | 92% | 0.921 | 85% | 0.845 | S | S | * | * | -160.2 | 167.9 | 129.5 | -129.4 | -174 | 174.5 | 0 | 0 | 112.8 | |||||
| 1254 | E | 25.2 | Very low | 26 | Very low | 195 Ų | 195 | 141.5 Ų | 141.5 | 91% | 0.911 | 85% | 0.854 | S | S | * | * | trans | -83.3 | 157.5 | -178.5 | -60.9 | -177.4 | 88.8 | 0 | 0 | 113.9 | ||||
| 1255 | G | 24.7 | Very low | 25.8 | Very low | 80 Ų | 80 | 139.6 Ų | 139.6 | 83% | 0.825 | 86% | 0.856 | S | S | * | * | trans | 121.3 | 146.4 | 139.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1256 | G | 24.1 | Very low | 25.8 | Very low | 83 Ų | 83 | 138.8 Ų | 138.8 | 86% | 0.856 | 85% | 0.847 | S | S | * | * | trans | 92.2 | 102 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1257 | G | 23.2 | Very low | 25.8 | Very low | 89 Ų | 89 | 146.5 Ų | 146.5 | 92% | 0.918 | 85% | 0.851 | S | S | * | * | trans | -81.6 | 155.5 | 171 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1258 | G | 24.6 | Very low | 26.1 | Very low | 77 Ų | 77 | 147.5 Ų | 147.5 | 79% | 0.794 | 85% | 0.851 | S | S | * | * | trans | 177.3 | 116.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1260 | G1258-S1260 PolarHBondContact O-N 2.99Š| ||
| 1259 | S | 27.2 | Very low | 26.8 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 88% | 0.881 | 85% | 0.845 | S | S | * | * | trans | -66.6 | 120.8 | 179.8 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1260 | S | 25.3 | Very low | 28.7 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -161.8 | 130.1 | 159.9 | -92.8 | 0 | 0 | 0 | 0 | 115.9 | G1258 | G1258-S1260 PolarHBondContact O-N 2.99Š| ||
| 1261 | G | 27.4 | Very low | 30.9 | Very low | 69 Ų | 69 | 134.4 Ų | 134.4 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | 72.1 | 90.6 | 126.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | R1263 | G1261-R1263 PolarHBondContact O-N 2.61Å; G1261-R1263 VanDerWaalsContact O-N 3.11Å | |||
| 1262 | R | 24.7 | Very low | 32.8 | Very low | 220 Ų | 220 | 132.2 Ų | 132.2 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | trans | -45.1 | 117.2 | 157.7 | -74.7 | 177.5 | 166.8 | -167.8 | -6.8 | 111 | ||||
| 1263 | R | 25.4 | Very low | 35.2 | Very low | 251 Ų | 251 | 127.4 Ų | 127.4 | 95% | 0.947 | 76% | 0.762 | S | S | * | * | trans | -126.5 | 84.3 | 161.5 | -77.1 | -167.7 | 175 | -162.7 | 0.9 | 110.1 | G1261 | G1261-R1263 PolarHBondContact O-N 2.61Å; G1261-R1263 VanDerWaalsContact O-N 3.11Å | ||
| 1264 | Q | 26.2 | Very low | 37.9 | Very low | 204 Ų | 204 | 119 Ų | 119 | 95% | 0.953 | 73% | 0.726 | S | S | * | * | trans | -107.4 | 106.3 | 163.4 | -158.2 | 171.6 | 33.3 | 0 | 0 | 107.4 | ||||
| 1265 | G | 25.6 | Very low | 40.9 | Very low | 80 Ų | 80 | 111.6 Ų | 111.6 | 83% | 0.825 | 70% | 0.695 | S | S | * | * | trans | -141.8 | 26.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1266 | G | 27.5 | Very low | 43.9 | Very low | 61 Ų | 61 | 107.9 Ų | 107.9 | 63% | 0.629 | 66% | 0.657 | S | S | * | * | trans | -74.7 | 144.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | N1268 | G1266-N1268 PolarHBondContact O-N 3.1Š| ||
| 1267 | R | 27.3 | Very low | 46.9 | Very low | 243 Ų | 243 | 105.4 Ų | 105.4 | 92% | 0.917 | 62% | 0.624 | S | S | * | * | trans | -69.4 | 119.8 | 166.9 | -78 | 177.3 | 168.8 | 167 | -5.2 | 108.3 | I1269 | R1267-I1269 PolarHBondContact O-N 2.89Š| ||
| 1268 | N | 31.9 | Very low | 50.1 | Low | 164 Ų | 164 | 104.2 Ų | 104.2 | 88% | 0.877 | 60% | 0.599 | S | S | * | * | trans | -66.5 | 97.6 | 169.4 | -68.4 | -6.4 | 0 | 0 | 0 | 108.8 | G1266 | G1266-N1268 PolarHBondContact O-N 3.1Š| ||
| 1269 | I | 40.1 | Very low | 53.2 | Low | 133 Ų | 133 | 100.8 Ų | 100.8 | 68% | 0.682 | 56% | 0.562 | S | S | * | * | trans | -61 | 132.9 | 159.7 | -60.2 | 171.1 | 0 | 0 | 0 | 106 | R1267 V1271 | R1267-I1269 PolarHBondContact O-N 2.89Å; I1269-V1271 PolarHBondContact O-N 2.66Å | ||
| 1270 | S | 63.1 | Low | 56.3 | Low | 56 Ų | 56 | 94.8 Ų | 94.8 | 39% | 0.392 | 52% | 0.52 | S | S | . | . | trans | -63.9 | 126.9 | 175.1 | -169.6 | 0 | 0 | 0 | 0 | 108.8 | E1272 T1273 | S1270-E1272 PolarHBondContact O-N 2.6Å; S1270-E1272 VanDerWaalsContact O-N 3.16Å; S1270-E1272 PolarHBondContact OG-OE2 2.92Å; S1270-T1273 PolarHBondContact O-N 3.04Å; S1270-T1273 PolarHBondContact O-OG1 3.18Å | ||
| 1271 | V | 73 | Confident | 59.4 | Low | 60 Ų | 60 | 93.6 Ų | 93.6 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -59.2 | -29.8 | -179.9 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | I1269 T1273 A1274 Y1279 Y1282 | I1269-V1271 PolarHBondContact O-N 2.66Å; V1271-T1273 PolarHBondContact O-N 2.67Å; V1271-A1274 WeakPolarHBondContact O-CB 3.39Å; V1271-A1274 PolarHBondContact O-N 2.79Å; V1271-A1274 VanDerWaalsContact O-N 3.1Å; V1271-Y1279 HydrophobicContact CG1-CD2 4.19Å; V1271-Y1279 WeakPolarHBondContact O-CD2 3.24Å; V1271-Y1282 HydrophobicContact CG1-CD1 3.62Å; V1271-Y1282 HydrophobicContact CG1-CD2 3.98Å; V1271-Y1282 HydrophobicContact CG1-CE1 4.19Å; V1271-Y1282 HydrophobicContact CG1-CG 3.51Å |
| 1272 | E | 67.6 | Low | 62.4 | Low | 74 Ų | 74 | 95 Ų | 95 | 35% | 0.346 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -64 | -21.3 | 176.6 | -64.9 | 157.9 | 162.3 | 0 | 0 | 113.8 | R1171 R1175 S1270 Y1279 | R1171-E1272 PolarHBondContact NH1-O 3.43Å; R1175-E1272 IonicContact CZ-OE1 2.74Å; R1175-E1272 IonicContact NH1-OE1 3.67Å; R1175-E1272 PolarHBondContact NH1-OE1 3.48Å; R1175-E1272 IonicContact NH2-OE1 3.02Å; R1175-E1272 PolarHBondContact NH2-OE1 3.38Å; S1270-E1272 PolarHBondContact O-N 2.6Å; S1270-E1272 VanDerWaalsContact O-N 3.16Å; S1270-E1272 PolarHBondContact OG-OE2 2.92Å; E1272-Y1279 HydrophobicContact CB-CE2 4.42Å; E1272-Y1279 HydrophobicContact CG-CE2 4.08Å |
| 1273 | T | 77.9 | Confident | 65.6 | Low | 91 Ų | 91 | 84.5 Ų | 84.5 | 56% | 0.558 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -106.5 | 11.8 | 175 | 65.1 | 0 | 0 | 0 | 0 | 113.2 | L1123 S1270 V1271 | L1123-T1273 HydrophobicContact CD1-CG2 4Å; S1270-T1273 PolarHBondContact O-N 3.04Å; S1270-T1273 PolarHBondContact O-OG1 3.18Å; V1271-T1273 PolarHBondContact O-N 2.67Å |
| 1274 | A | 84.8 | Confident | 68.8 | Low | 20 Ų | 20 | 72.9 Ų | 72.9 | 17% | 0.165 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -75.3 | 164.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | R1171 V1271 V1278 | R1171-A1274 VanDerWaalsContact CZ-O 3.26Å; R1171-A1274 PolarHBondContact NH1-O 3.09Å; R1171-A1274 PolarHBondContact NH2-O 3.39Å; V1271-A1274 WeakPolarHBondContact O-CB 3.39Å; V1271-A1274 PolarHBondContact O-N 2.79Å; V1271-A1274 VanDerWaalsContact O-N 3.1Å; A1274-V1278 HydrophobicContact CB-CB 4Å; A1274-V1278 HydrophobicContact CB-CG1 3.76Å |
| 1275 | S | 86.8 | Confident | 71.8 | Confident | 39 Ų | 39 | 67.5 Ų | 67.5 | 27% | 0.273 | 37% | 0.372 | S | S | . | . | trans | -57.6 | 153.4 | 174.5 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | D1277 V1278 Y1279 | S1275-D1277 VanDerWaalsContact CB-OD1 3.26Å; S1275-D1277 WeakPolarHBondContact CB-OD1 3.41Å; S1275-D1277 PolarHBondContact O-N 2.94Å; S1275-D1277 PolarHBondContact OG-OD1 3.33Å; S1275-V1278 PolarHBondContact O-N 3.43Å; S1275-V1278 WeakPolarHBondContact OG-CG2 3.32Å; S1275-Y1279 PolarHBondContact O-N 3.27Å | ||
| 1276 | L | 88.3 | Confident | 74.8 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.5 | -35.6 | -173.9 | -175.3 | 61 | 0 | 0 | 0 | 113.3 | A1159 E1167 A1170 R1171 L1231 L1236 Y1279 A1280 | A1159-L1276 HydrophobicContact CB-CD2 4.23Å; E1167-L1276 HydrophobicContact CB-CD2 4.14Å; E1167-L1276 HydrophobicContact CG-CB 4.11Å; E1167-L1276 HydrophobicContact CG-CD2 4.06Å; E1167-L1276 PolarHBondContact OE1-N 2.85Å; A1170-L1276 HydrophobicContact CB-CD1 4.46Å; A1170-L1276 HydrophobicContact CB-CD2 3.93Å; R1171-L1276 HydrophobicContact CB-CD1 4.1Å; L1231-L1276 HydrophobicContact CD1-CD2 3.84Å; L1231-L1276 HydrophobicContact CD1-CG 4.29Å; L1231-L1276 HydrophobicContact CD2-CD1 4.2Å; L1231-L1276 HydrophobicContact CD2-CD2 4.06Å; L1231-L1276 HydrophobicContact CD2-CG 4.03Å; L1231-L1276 HydrophobicContact CG-CD2 4.27Å; L1231-L1276 HydrophobicContact CG-CG 4.23Å; L1236-L1276 HydrophobicContact CD1-CB 4.3Å; L1276-Y1279 PolarHBondContact O-N 2.9Å; L1276-A1280 VanDerWaalsContact O-CB 3.24Å; L1276-A1280 WeakPolarHBondContact O-CB 3.44Å; L1276-A1280 PolarHBondContact O-N 2.99Å |
| 1277 | D | 87.5 | Confident | 77.9 | Confident | 32 Ų | 32 | 61.7 Ų | 61.7 | 17% | 0.171 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 176.9 | 78.8 | -66.8 | 0 | 0 | 0 | 111.9 | S1275 K1281 | S1275-D1277 VanDerWaalsContact CB-OD1 3.26Å; S1275-D1277 WeakPolarHBondContact CB-OD1 3.41Å; S1275-D1277 PolarHBondContact O-N 2.94Å; S1275-D1277 PolarHBondContact OG-OD1 3.33Å; D1277-K1281 WeakPolarHBondContact O-CB 3.36Å; D1277-K1281 WeakPolarHBondContact O-CG 3.38Å; D1277-K1281 PolarHBondContact O-N 3.48Å; D1277-K1281 IonicContact OD2-NZ 3.48Å; D1277-K1281 PolarHBondContact OD2-NZ 3.42Å |
| 1278 | V | 89.2 | Confident | 80.9 | Confident | 64 Ų | 64 | 50.2 Ų | 50.2 | 39% | 0.388 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.6 | -38.1 | 177.7 | 175.2 | 0 | 0 | 0 | 0 | 110.3 | A1274 S1275 Y1282 | A1274-V1278 HydrophobicContact CB-CB 4Å; A1274-V1278 HydrophobicContact CB-CG1 3.76Å; S1275-V1278 PolarHBondContact O-N 3.43Å; S1275-V1278 WeakPolarHBondContact OG-CG2 3.32Å; V1278-Y1282 PolarHBondContact O-N 2.99Å |
| 1279 | Y | 91.5 | Very high | 83.5 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 2% | 0.02 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.5 | -43.6 | 175 | -166.7 | -112.6 | 0 | 0 | 0 | 111.9 | R1171 C1174 R1175 V1271 E1272 S1275 L1276 Y1282 V1283 | R1171-Y1279 HydrophobicContact CG-CD1 4.21Å; R1171-Y1279 HydrophobicContact CG-CE1 4.21Å; C1174-Y1279 HydrophobicContact CB-CD1 3.96Å; C1174-Y1279 HydrophobicContact CB-CE1 3.8Å; R1175-Y1279 PolarHBondContact NH1-OH 3.33Å; V1271-Y1279 HydrophobicContact CG1-CD2 4.19Å; V1271-Y1279 WeakPolarHBondContact O-CD2 3.24Å; E1272-Y1279 HydrophobicContact CB-CE2 4.42Å; E1272-Y1279 HydrophobicContact CG-CE2 4.08Å; S1275-Y1279 PolarHBondContact O-N 3.27Å; L1276-Y1279 PolarHBondContact O-N 2.9Å; Y1279-Y1282 HydrophobicContact CD2-CD1 4.45Å; Y1279-Y1282 HydrophobicContact CE2-CD1 4.35Å; Y1279-Y1282 WeakPolarHBondContact O-CB 3.49Å; Y1279-Y1282 PolarHBondContact O-N 3.21Å; Y1279-V1283 HydrophobicContact CD1-CG2 4.12Å; Y1279-V1283 HydrophobicContact CE1-CG2 3.87Å; Y1279-V1283 WeakPolarHBondContact O-CG2 3.29Å; Y1279-V1283 PolarHBondContact O-N 3.2Å |
| 1280 | A | 92.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1228 L1231 L1276 Y1282 V1283 L1284 | V1228-A1280 HydrophobicContact CG1-CB 4.09Å; V1228-A1280 WeakPolarHBondContact CG1-O 3.39Å; L1231-A1280 HydrophobicContact CB-CB 4.37Å; L1231-A1280 HydrophobicContact CD2-CB 4.26Å; L1231-A1280 HydrophobicContact CG-CB 4.17Å; L1276-A1280 VanDerWaalsContact O-CB 3.24Å; L1276-A1280 WeakPolarHBondContact O-CB 3.44Å; L1276-A1280 PolarHBondContact O-N 2.99Å; A1280-Y1282 VanDerWaalsContact C-N 3.31Å; A1280-Y1282 PolarHBondContact O-N 2.85Å; A1280-V1283 PolarHBondContact O-N 3.02Å; A1280-L1284 VanDerWaalsContact O-CB 3.29Å; A1280-L1284 WeakPolarHBondContact O-CB 3.44Å; A1280-L1284 PolarHBondContact O-N 2.83Å |
| 1281 | K | 89.8 | Confident | 86.7 | Confident | 98 Ų | 98 | 43.1 Ų | 43.1 | 43% | 0.426 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.3 | -40.8 | 171.6 | -73.2 | 168.3 | 179.5 | 89.1 | 0 | 112.1 | G1232 D1277 R1285 | G1232-K1281 VanDerWaalsContact O-CE 3.25Å; G1232-K1281 WeakPolarHBondContact O-CE 3.42Å; G1232-K1281 PolarHBondContact O-NZ 3.2Å; D1277-K1281 WeakPolarHBondContact O-CB 3.36Å; D1277-K1281 WeakPolarHBondContact O-CG 3.38Å; D1277-K1281 PolarHBondContact O-N 3.48Å; D1277-K1281 IonicContact OD2-NZ 3.48Å; D1277-K1281 PolarHBondContact OD2-NZ 3.42Å; K1281-R1285 WeakPolarHBondContact O-CB 3.46Å; K1281-R1285 PolarHBondContact O-N 3.39Å |
| 1282 | Y | 90.8 | Very high | 87.2 | Confident | 97 Ų | 97 | 41.4 Ų | 41.4 | 38% | 0.38 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.4 | -51.9 | 174.6 | 167 | -103.1 | 0 | 0 | 0 | 112 | L1178 V1271 V1278 Y1279 A1280 L1284 R1285 S1286 | L1178-Y1282 HydrophobicContact CD2-CE1 4.06Å; V1271-Y1282 HydrophobicContact CG1-CD1 3.62Å; V1271-Y1282 HydrophobicContact CG1-CD2 3.98Å; V1271-Y1282 HydrophobicContact CG1-CE1 4.19Å; V1271-Y1282 HydrophobicContact CG1-CG 3.51Å; V1278-Y1282 PolarHBondContact O-N 2.99Å; Y1279-Y1282 HydrophobicContact CD2-CD1 4.45Å; Y1279-Y1282 HydrophobicContact CE2-CD1 4.35Å; Y1279-Y1282 WeakPolarHBondContact O-CB 3.49Å; Y1279-Y1282 PolarHBondContact O-N 3.21Å; A1280-Y1282 VanDerWaalsContact C-N 3.31Å; A1280-Y1282 PolarHBondContact O-N 2.85Å; Y1282-L1284 VanDerWaalsContact C-N 3.35Å; Y1282-L1284 PolarHBondContact O-N 2.96Å; Y1282-R1285 PolarHBondContact O-N 3.37Å; Y1282-R1285 VanDerWaalsContact O-N 3.15Å; Y1282-S1286 PolarHBondContact O-N 2.96Å; Y1282-S1286 PolarHBondContact O-OG 3.13Å |
| 1283 | V | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.6 | -45.8 | -179.5 | 168.3 | 0 | 0 | 0 | 0 | 111 | C1174 L1178 V1228 Y1279 A1280 R1285 S1286 I1287 | C1174-V1283 HydrophobicContact CB-CG1 4.47Å; C1174-V1283 HydrophobicContact CB-CG2 4.2Å; L1178-V1283 HydrophobicContact CB-CG1 4.22Å; L1178-V1283 HydrophobicContact CB-CG2 4.35Å; L1178-V1283 HydrophobicContact CD2-CG2 4.28Å; V1228-V1283 HydrophobicContact CG1-CB 4.46Å; V1228-V1283 HydrophobicContact CG1-CG1 4.27Å; Y1279-V1283 HydrophobicContact CD1-CG2 4.12Å; Y1279-V1283 HydrophobicContact CE1-CG2 3.87Å; Y1279-V1283 WeakPolarHBondContact O-CG2 3.29Å; Y1279-V1283 PolarHBondContact O-N 3.2Å; A1280-V1283 PolarHBondContact O-N 3.02Å; V1283-R1285 PolarHBondContact O-N 3.46Å; V1283-S1286 PolarHBondContact O-N 3.38Å; V1283-I1287 HydrophobicContact CG1-CD1 3.74Å; V1283-I1287 HydrophobicContact CG1-CG1 4.4Å; V1283-I1287 WeakPolarHBondContact O-CB 3.31Å; V1283-I1287 VanDerWaalsContact O-CG1 3.3Å; V1283-I1287 WeakPolarHBondContact O-CG1 3.45Å; V1283-I1287 PolarHBondContact O-N 2.77Å |
| 1284 | L | 91.5 | Very high | 88.5 | Confident | 8 Ų | 8 | 34.1 Ų | 34.1 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.7 | -49.6 | 174.8 | -177.9 | 72.2 | 0 | 0 | 0 | 111.6 | L1225 V1228 F1229 A1280 Y1282 S1286 I1287 C1288 L1321 L1324 | L1225-L1284 HydrophobicContact CB-CD1 4.45Å; L1225-L1284 HydrophobicContact CD2-CD1 3.69Å; V1228-L1284 HydrophobicContact CB-CD1 4.46Å; V1228-L1284 HydrophobicContact CG1-CB 3.96Å; F1229-L1284 HydrophobicContact CB-CD2 4.03Å; F1229-L1284 HydrophobicContact CD2-CD2 3.62Å; F1229-L1284 HydrophobicContact CE2-CD2 4.49Å; F1229-L1284 HydrophobicContact CG-CD2 4.24Å; A1280-L1284 VanDerWaalsContact O-CB 3.29Å; A1280-L1284 WeakPolarHBondContact O-CB 3.44Å; A1280-L1284 PolarHBondContact O-N 2.83Å; Y1282-L1284 VanDerWaalsContact C-N 3.35Å; Y1282-L1284 PolarHBondContact O-N 2.96Å; L1284-S1286 PolarHBondContact O-N 3.29Å; L1284-I1287 PolarHBondContact O-N 2.95Å; L1284-C1288 PolarHBondContact O-N 3.42Å; L1284-C1288 PolarHBondContact O-SG 3.4Å; L1284-C1288 VanDerWaalsContact O-SG 3.39Å; L1284-L1321 HydrophobicContact CD1-CD1 4.04Å; L1284-L1321 HydrophobicContact CD2-CD1 4.37Å; L1284-L1324 HydrophobicContact CD2-CD1 3.89Å |
| 1285 | R | 89.4 | Confident | 88.3 | Confident | 91 Ų | 91 | 35.5 Ų | 35.5 | 34% | 0.343 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.2 | -43.8 | 178.2 | 174.2 | 174.5 | -91.7 | 156.7 | -7.3 | 111.3 | K1281 Y1282 V1283 I1287 C1288 Q1289 L1324 R1330 | K1281-R1285 WeakPolarHBondContact O-CB 3.46Å; K1281-R1285 PolarHBondContact O-N 3.39Å; Y1282-R1285 PolarHBondContact O-N 3.37Å; Y1282-R1285 VanDerWaalsContact O-N 3.15Å; V1283-R1285 PolarHBondContact O-N 3.46Å; R1285-I1287 VanDerWaalsContact C-N 3.34Å; R1285-I1287 PolarHBondContact O-N 3.09Å; R1285-C1288 PolarHBondContact O-N 3.02Å; R1285-Q1289 HydrophobicContact CG-CG 4.4Å; R1285-Q1289 WeakPolarHBondContact O-CB 3.41Å; R1285-Q1289 WeakPolarHBondContact O-CG 3.46Å; R1285-Q1289 PolarHBondContact O-N 3.41Å; R1285-L1324 HydrophobicContact CB-CD2 4.09Å; R1285-L1324 HydrophobicContact CG-CD2 4.5Å; R1285-R1330 PolarHBondContact NH2-O 2.97Å |
| 1286 | S | 89.8 | Confident | 88.1 | Confident | 16 Ų | 16 | 36 Ų | 36 | 11% | 0.112 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.6 | -28.9 | 179 | -70.4 | 0 | 0 | 0 | 0 | 113.8 | Y1282 V1283 L1284 Q1290 | Y1282-S1286 PolarHBondContact O-N 2.96Å; Y1282-S1286 PolarHBondContact O-OG 3.13Å; V1283-S1286 PolarHBondContact O-N 3.38Å; L1284-S1286 PolarHBondContact O-N 3.29Å; S1286-Q1290 PolarHBondContact O-NE2 2.85Å |
| 1287 | I | 92 | Very high | 88 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -73.1 | -46.2 | 171.1 | -68 | 173.4 | 0 | 0 | 0 | 110.5 | L1177 F1181 L1225 V1283 L1284 R1285 Q1289 Q1290 V1293 | L1177-I1287 HydrophobicContact CB-CD1 4.46Å; F1181-I1287 HydrophobicContact CB-CD1 4.32Å; F1181-I1287 HydrophobicContact CB-CG1 3.98Å; F1181-I1287 HydrophobicContact CB-CG2 4.15Å; F1181-I1287 HydrophobicContact CD1-CG2 3.83Å; F1181-I1287 HydrophobicContact CG-CD1 4.44Å; F1181-I1287 HydrophobicContact CG-CG2 4.17Å; L1225-I1287 HydrophobicContact CD2-CG2 3.87Å; V1283-I1287 HydrophobicContact CG1-CD1 3.74Å; V1283-I1287 HydrophobicContact CG1-CG1 4.4Å; V1283-I1287 WeakPolarHBondContact O-CB 3.31Å; V1283-I1287 VanDerWaalsContact O-CG1 3.3Å; V1283-I1287 WeakPolarHBondContact O-CG1 3.45Å; V1283-I1287 PolarHBondContact O-N 2.77Å; L1284-I1287 PolarHBondContact O-N 2.95Å; R1285-I1287 VanDerWaalsContact C-N 3.34Å; R1285-I1287 PolarHBondContact O-N 3.09Å; I1287-Q1289 PolarHBondContact O-N 3.39Å; I1287-Q1290 WeakPolarHBondContact O-CB 3.43Å; I1287-Q1290 WeakPolarHBondContact O-CG 3.3Å; I1287-Q1290 PolarHBondContact O-N 2.9Å; I1287-V1293 HydrophobicContact CG2-CG1 4.23Å; I1287-V1293 HydrophobicContact CG2-CG2 4.29Å |
| 1288 | C | 89.9 | Confident | 87.7 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.1 | -20.8 | 175.1 | -67.1 | 0 | 0 | 0 | 0 | 113.6 | L1284 R1285 Q1290 L1324 P1328 | L1284-C1288 PolarHBondContact O-N 3.42Å; L1284-C1288 PolarHBondContact O-SG 3.4Å; L1284-C1288 VanDerWaalsContact O-SG 3.39Å; R1285-C1288 PolarHBondContact O-N 3.02Å; C1288-Q1290 VanDerWaalsContact C-N 3.28Å; C1288-L1324 WeakPolarHBondContact CB-O 3.31Å; C1288-P1328 HydrophobicContact CB-CB 4.22Å; C1288-P1328 WeakPolarHBondContact O-CB 3.24Å; C1288-P1328 WeakPolarHBondContact O-CG 3.26Å |
| 1289 | Q | 87.3 | Confident | 87.3 | Confident | 70 Ų | 70 | 34.1 Ų | 34.1 | 33% | 0.327 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -6.4 | 172.5 | -77.7 | 172.3 | -8.5 | 0 | 0 | 113.9 | R1285 I1287 P1328 | R1285-Q1289 HydrophobicContact CG-CG 4.4Å; R1285-Q1289 WeakPolarHBondContact O-CB 3.41Å; R1285-Q1289 WeakPolarHBondContact O-CG 3.46Å; R1285-Q1289 PolarHBondContact O-N 3.41Å; I1287-Q1289 PolarHBondContact O-N 3.39Å; Q1289-P1328 HydrophobicContact CG-CB 3.74Å; Q1289-P1328 PolarHBondContact NE2-O 2.66Å |
| 1290 | Q | 86.9 | Confident | 86.7 | Confident | 33 Ų | 33 | 34.3 Ų | 34.3 | 15% | 0.154 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -79.4 | 121.2 | 172.3 | -53.2 | -53.1 | -64.9 | 0 | 0 | 109.5 | T1183 S1286 I1287 C1288 W1292 V1293 G1294 | T1183-Q1290 PolarHBondContact OG1-OE1 3.34Å; S1286-Q1290 PolarHBondContact O-NE2 2.85Å; I1287-Q1290 WeakPolarHBondContact O-CB 3.43Å; I1287-Q1290 WeakPolarHBondContact O-CG 3.3Å; I1287-Q1290 PolarHBondContact O-N 2.9Å; C1288-Q1290 VanDerWaalsContact C-N 3.28Å; Q1290-W1292 VanDerWaalsContact C-N 3.26Å; Q1290-W1292 PolarHBondContact O-N 2.89Å; Q1290-V1293 HydrophobicContact CB-CB 4.28Å; Q1290-V1293 HydrophobicContact CB-CG2 3.87Å; Q1290-V1293 WeakPolarHBondContact O-CB 3.5Å; Q1290-V1293 PolarHBondContact O-N 3.41Å; Q1290-G1294 PolarHBondContact O-N 3.45Å; Q1290-G1294 VanDerWaalsContact O-N 3.14Å |
| 1291 | E | 81.8 | Confident | 85.9 | Confident | 101 Ų | 101 | 34.4 Ų | 34.4 | 47% | 0.472 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -54 | -42.6 | -174.3 | -54 | -174.9 | 156.7 | 0 | 0 | 112.6 | V1293 G1294 E1295 | E1291-V1293 VanDerWaalsContact C-N 3.33Å; E1291-V1293 PolarHBondContact O-N 2.89Å; E1291-G1294 PolarHBondContact O-N 3.47Å; E1291-E1295 WeakPolarHBondContact O-CB 3.38Å; E1291-E1295 PolarHBondContact O-N 2.87Å |
| 1292 | W | 84.3 | Confident | 84.9 | Confident | 25 Ų | 25 | 32.4 Ų | 32.4 | 10% | 0.095 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.7 | -35.9 | -179.9 | 77 | -98 | 0 | 0 | 0 | 112.6 | F1181 Q1213 I1216 V1221 Q1290 R1296 | F1181-W1292 HydrophobicContact CB-CZ2 4.35Å; F1181-W1292 AromaticContact CD1-CH2 3.68Å; F1181-W1292 HydrophobicContact CD1-CH2 3.68Å; F1181-W1292 AromaticContact CD1-CZ2 3.69Å; F1181-W1292 HydrophobicContact CD1-CZ2 3.69Å; F1181-W1292 AromaticContact CE1-CH2 3.84Å; F1181-W1292 HydrophobicContact CE1-CH2 3.84Å; F1181-W1292 HydrophobicContact CE1-CZ2 4.33Å; F1181-W1292 HydrophobicContact CG-CZ2 4.25Å; F1181-W1292 PolarHBondContact O-NE1 3.3Å; Q1213-W1292 HydrophobicContact CB-CH2 4.15Å; Q1213-W1292 HydrophobicContact CB-CZ2 3.88Å; Q1213-W1292 HydrophobicContact CG-CH2 4.5Å; Q1213-W1292 HydrophobicContact CG-CZ2 3.95Å; I1216-W1292 HydrophobicContact CG2-CH2 4.25Å; I1216-W1292 HydrophobicContact CG2-CZ3 3.97Å; V1221-W1292 HydrophobicContact CG2-CZ3 4.37Å; Q1290-W1292 VanDerWaalsContact C-N 3.26Å; Q1290-W1292 PolarHBondContact O-N 2.89Å; W1292-R1296 WeakPolarHBondContact O-CB 3.37Å; W1292-R1296 PolarHBondContact O-N 2.94Å |
| 1293 | V | 88.4 | Confident | 83.9 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.3 | -48 | 176.2 | 177 | 0 | 0 | 0 | 0 | 109.8 | F1181 V1221 L1225 I1287 Q1290 E1291 R1296 C1297 | F1181-V1293 HydrophobicContact CD1-CG2 3.99Å; V1221-V1293 HydrophobicContact CG1-CG1 3.97Å; L1225-V1293 HydrophobicContact CD1-CG1 4.28Å; I1287-V1293 HydrophobicContact CG2-CG1 4.23Å; I1287-V1293 HydrophobicContact CG2-CG2 4.29Å; Q1290-V1293 HydrophobicContact CB-CB 4.28Å; Q1290-V1293 HydrophobicContact CB-CG2 3.87Å; Q1290-V1293 WeakPolarHBondContact O-CB 3.5Å; Q1290-V1293 PolarHBondContact O-N 3.41Å; E1291-V1293 VanDerWaalsContact C-N 3.33Å; E1291-V1293 PolarHBondContact O-N 2.89Å; V1293-R1296 PolarHBondContact O-N 3.26Å; V1293-C1297 WeakPolarHBondContact O-CB 3.44Å; V1293-C1297 PolarHBondContact O-N 3.23Å; V1293-C1297 PolarHBondContact O-SG 3.46Å |
| 1294 | G | 83.9 | Confident | 82.7 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.5 | -49.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1290 E1291 C1297 L1298 | Q1290-G1294 PolarHBondContact O-N 3.45Å; Q1290-G1294 VanDerWaalsContact O-N 3.14Å; E1291-G1294 PolarHBondContact O-N 3.47Å; G1294-C1297 PolarHBondContact O-N 3.11Å; G1294-L1298 WeakPolarHBondContact O-CB 3.26Å; G1294-L1298 WeakPolarHBondContact O-CG 3.41Å; G1294-L1298 PolarHBondContact O-N 2.92Å |
| 1295 | E | 80.8 | Confident | 81.2 | Confident | 49 Ų | 49 | 38.9 Ų | 38.9 | 23% | 0.229 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.2 | -40.7 | -179.7 | -173.8 | 160.5 | -131.7 | 0 | 0 | 112.8 | R517 S518 E1291 L1298 K1299 | R517-E1295 WeakPolarHBondContact CA-OE1 3.19Å; R517-E1295 VanDerWaalsContact CB-OE1 3.31Å; R517-E1295 WeakPolarHBondContact CB-OE1 3.37Å; R517-E1295 WeakPolarHBondContact CD-OE1 3.32Å; S518-E1295 WeakPolarHBondContact CA-OE2 2.99Å; S518-E1295 VanDerWaalsContact CB-OE2 3.24Å; S518-E1295 WeakPolarHBondContact CB-OE2 3.46Å; S518-E1295 PolarHBondContact N-OE1 3.15Å; S518-E1295 PolarHBondContact N-OE2 3.47Å; S518-E1295 PolarHBondContact OG-OE2 2.92Å; E1291-E1295 WeakPolarHBondContact O-CB 3.38Å; E1291-E1295 PolarHBondContact O-N 2.87Å; E1295-L1298 CarbonylContact O-C 3.54Å; E1295-L1298 PolarHBondContact O-N 3.11Å; E1295-K1299 PolarHBondContact O-N 3.34Å |
| 1296 | R | 83.3 | Confident | 80.2 | Confident | 49 Ų | 49 | 38.4 Ų | 38.4 | 19% | 0.185 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.9 | -46.1 | 175.7 | -171.8 | 176.5 | -159.5 | 109.2 | 29.1 | 112.1 | N1214 I1216 D1218 W1292 V1293 K1299 S1300 | N1214-R1296 PolarHBondContact O-NH1 3.31Å; I1216-R1296 PolarHBondContact O-NE 3.47Å; I1216-R1296 PolarHBondContact O-NH1 3.28Å; I1216-R1296 PolarHBondContact O-NH2 3.04Å; D1218-R1296 IonicContact OD1-CZ 3.43Å; D1218-R1296 VanDerWaalsContact OD1-CZ 3.23Å; D1218-R1296 IonicContact OD1-NE 2.73Å; D1218-R1296 PolarHBondContact OD1-NE 2.9Å; D1218-R1296 IonicContact OD1-NH2 3.55Å; D1218-R1296 PolarHBondContact OD1-NH2 2.58Å; W1292-R1296 WeakPolarHBondContact O-CB 3.37Å; W1292-R1296 PolarHBondContact O-N 2.94Å; V1293-R1296 PolarHBondContact O-N 3.26Å; R1296-K1299 PolarHBondContact O-N 3.37Å; R1296-K1299 VanDerWaalsContact O-N 3.09Å; R1296-S1300 PolarHBondContact O-N 2.95Å; R1296-S1300 VanDerWaalsContact O-N 3.11Å |
| 1297 | C | 85.9 | Confident | 79.3 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 176.2 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | F1222 V1293 G1294 K1299 L1301 I1325 | F1222-C1297 HydrophobicContact CE1-CB 4.15Å; F1222-C1297 HydrophobicContact CE2-CB 4.31Å; F1222-C1297 HydrophobicContact CZ-CB 3.55Å; V1293-C1297 WeakPolarHBondContact O-CB 3.44Å; V1293-C1297 PolarHBondContact O-N 3.23Å; V1293-C1297 PolarHBondContact O-SG 3.46Å; G1294-C1297 PolarHBondContact O-N 3.11Å; C1297-K1299 PolarHBondContact O-N 3.4Å; C1297-L1301 WeakPolarHBondContact O-CB 3.42Å; C1297-L1301 WeakPolarHBondContact O-CD1 3.37Å; C1297-L1301 WeakPolarHBondContact O-CG 3.48Å; C1297-L1301 PolarHBondContact O-N 3.26Å; C1297-I1325 HydrophobicContact CB-CD1 4.35Å; C1297-I1325 HydrophobicContact CB-CG2 3.61Å |
| 1298 | L | 81.3 | Confident | 78.3 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 6% | 0.063 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.5 | -21 | 174.2 | -71.2 | 170.7 | 0 | 0 | 0 | 112.9 | G1294 E1295 C1302 R1358 Q1359 L1362 | G1294-L1298 WeakPolarHBondContact O-CB 3.26Å; G1294-L1298 WeakPolarHBondContact O-CG 3.41Å; G1294-L1298 PolarHBondContact O-N 2.92Å; E1295-L1298 CarbonylContact O-C 3.54Å; E1295-L1298 PolarHBondContact O-N 3.11Å; L1298-C1302 PolarHBondContact O-SG 3.04Å; L1298-R1358 PolarHBondContact O-NE 3.47Å; L1298-Q1359 HydrophobicContact CD1-CG 3.94Å; L1298-Q1359 HydrophobicContact CD2-CG 3.89Å; L1298-L1362 HydrophobicContact CD2-CD2 4.23Å |
| 1299 | K | 79.8 | Confident | 77.1 | Confident | 46 Ų | 46 | 43.2 Ų | 43.2 | 20% | 0.2 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -77.1 | -60.3 | 173.1 | -168.1 | 164.1 | -173.7 | 175.7 | 0 | 112.4 | S466 H467 E1295 R1296 C1297 L1301 C1302 E1303 | S466-K1299 WeakPolarHBondContact O-CE 3.44Å; S466-K1299 PolarHBondContact O-NZ 3.45Å; H467-K1299 PolarHBondContact O-NZ 3.29Å; E1295-K1299 PolarHBondContact O-N 3.34Å; R1296-K1299 PolarHBondContact O-N 3.37Å; R1296-K1299 VanDerWaalsContact O-N 3.09Å; C1297-K1299 PolarHBondContact O-N 3.4Å; K1299-L1301 VanDerWaalsContact C-N 3.29Å; K1299-L1301 PolarHBondContact O-N 2.91Å; K1299-C1302 PolarHBondContact O-N 3.03Å; K1299-C1302 VanDerWaalsContact O-N 3.14Å; K1299-E1303 WeakPolarHBondContact CE-OE1 3.39Å; K1299-E1303 PolarHBondContact O-N 2.93Å |
| 1300 | S | 79.1 | Confident | 76.1 | Confident | 9 Ų | 9 | 41.3 Ų | 41.3 | 6% | 0.063 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.6 | -41.6 | -177.3 | 94.2 | 0 | 0 | 0 | 0 | 111.5 | D1218 F1222 R1296 C1302 E1303 D1304 D1307 | D1218-S1300 WeakPolarHBondContact OD2-CB 3.41Å; F1222-S1300 WeakPolarHBondContact CE2-OG 3.45Å; R1296-S1300 PolarHBondContact O-N 2.95Å; R1296-S1300 VanDerWaalsContact O-N 3.11Å; S1300-C1302 VanDerWaalsContact C-N 3.26Å; S1300-C1302 PolarHBondContact O-N 3.24Å; S1300-E1303 CarbonylContact O-C 3.58Å; S1300-E1303 PolarHBondContact O-N 2.78Å; S1300-D1304 CarbonylContact O-C 3.59Å; S1300-D1304 PolarHBondContact O-N 2.96Å; S1300-D1307 PolarHBondContact OG-OD2 3.17Å |
| 1301 | L | 76.7 | Confident | 75.3 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.9 | -25.4 | -177.1 | -65.4 | 169.3 | 0 | 0 | 0 | 113.6 | F1222 C1297 K1299 S1305 D1307 L1308 L1362 | F1222-L1301 HydrophobicContact CE1-CD1 3.78Å; F1222-L1301 HydrophobicContact CE1-CD2 4.14Å; F1222-L1301 HydrophobicContact CE1-CG 4.07Å; F1222-L1301 HydrophobicContact CE2-CG 4.39Å; F1222-L1301 HydrophobicContact CZ-CD1 3.62Å; F1222-L1301 HydrophobicContact CZ-CD2 3.95Å; F1222-L1301 HydrophobicContact CZ-CG 3.56Å; C1297-L1301 WeakPolarHBondContact O-CB 3.42Å; C1297-L1301 WeakPolarHBondContact O-CD1 3.37Å; C1297-L1301 WeakPolarHBondContact O-CG 3.48Å; C1297-L1301 PolarHBondContact O-N 3.26Å; K1299-L1301 VanDerWaalsContact C-N 3.29Å; K1299-L1301 PolarHBondContact O-N 2.91Å; L1301-S1305 VanDerWaalsContact O-CA 3.31Å; L1301-S1305 WeakPolarHBondContact O-CA 3.09Å; L1301-S1305 VanDerWaalsContact O-CB 3.27Å; L1301-S1305 WeakPolarHBondContact O-CB 3.31Å; L1301-S1305 PolarHBondContact O-N 3.5Å; L1301-D1307 HydrophobicContact CD2-CB 3.96Å; L1301-L1308 HydrophobicContact CD1-CD1 3.57Å; L1301-L1308 HydrophobicContact CD1-CG 4.27Å; L1301-L1308 HydrophobicContact CD2-CB 4.19Å; L1301-L1308 HydrophobicContact CD2-CD1 3.9Å; L1301-L1308 HydrophobicContact CD2-CG 3.85Å; L1301-L1308 HydrophobicContact CG-CD1 4.42Å; L1301-L1362 HydrophobicContact CB-CD1 3.72Å; L1301-L1362 HydrophobicContact CB-CD2 3.73Å; L1301-L1362 HydrophobicContact CB-CG 4.27Å; L1301-L1362 HydrophobicContact CD1-CD2 3.79Å; L1301-L1362 HydrophobicContact CG-CD2 4.41Å; L1301-L1362 WeakPolarHBondContact O-CD1 3.3Å |
| 1302 | C | 67.9 | Low | 74.9 | Confident | 57 Ų | 57 | 44.2 Ų | 44.2 | 39% | 0.385 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -75.4 | -26.9 | 172.7 | -80.3 | 0 | 0 | 0 | 0 | 113 | L1298 K1299 S1300 R1358 | L1298-C1302 PolarHBondContact O-SG 3.04Å; K1299-C1302 PolarHBondContact O-N 3.03Å; K1299-C1302 VanDerWaalsContact O-N 3.14Å; S1300-C1302 VanDerWaalsContact C-N 3.26Å; S1300-C1302 PolarHBondContact O-N 3.24Å; C1302-R1358 WeakPolarHBondContact SG-CG 3.23Å; C1302-R1358 PolarHBondContact SG-NE 2.9Å; C1302-R1358 VanDerWaalsContact SG-NE 3.42Å |
| 1303 | E | 69.3 | Low | 74.7 | Confident | 128 Ų | 128 | 43.8 Ų | 43.8 | 60% | 0.598 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -88 | -52.3 | 178 | -65 | 176.7 | -158 | 0 | 0 | 110.2 | K1299 S1300 | K1299-E1303 WeakPolarHBondContact CE-OE1 3.39Å; K1299-E1303 PolarHBondContact O-N 2.93Å; S1300-E1303 CarbonylContact O-C 3.58Å; S1300-E1303 PolarHBondContact O-N 2.78Å |
| 1304 | D | 66.7 | Low | 74.3 | Confident | 97 Ų | 97 | 46.5 Ų | 46.5 | 52% | 0.519 | 26% | 0.257 | S | S | . | . | trans | -135.3 | 79.6 | -179.3 | -114.5 | -49.6 | 0 | 0 | 0 | 111.5 | S1300 N1306 | S1300-D1304 CarbonylContact O-C 3.59Å; S1300-D1304 PolarHBondContact O-N 2.96Å; D1304-N1306 PolarHBondContact O-N 3.05Å; D1304-N1306 PolarHBondContact OD1-ND2 3.19Å | ||
| 1305 | S | 60.3 | Low | 73.9 | Confident | 15 Ų | 15 | 48 Ų | 48 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 11.5 | 175.8 | 43.8 | 0 | 0 | 0 | 0 | 116.4 | L1301 Q1309 K1369 | L1301-S1305 VanDerWaalsContact O-CA 3.31Å; L1301-S1305 WeakPolarHBondContact O-CA 3.09Å; L1301-S1305 VanDerWaalsContact O-CB 3.27Å; L1301-S1305 WeakPolarHBondContact O-CB 3.31Å; L1301-S1305 PolarHBondContact O-N 3.5Å; S1305-Q1309 PolarHBondContact O-NE2 3.22Å; S1305-K1369 PolarHBondContact OG-NZ 2.84Å |
| 1306 | N | 69.2 | Low | 73.7 | Confident | 81 Ų | 81 | 48.3 Ų | 48.3 | 43% | 0.433 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -20.9 | 178.5 | -60.2 | -38.8 | 0 | 0 | 0 | 113 | D1304 L1308 Q1309 | D1304-N1306 PolarHBondContact O-N 3.05Å; D1304-N1306 PolarHBondContact OD1-ND2 3.19Å; N1306-L1308 PolarHBondContact O-N 2.86Å; N1306-L1308 VanDerWaalsContact O-N 3.14Å; N1306-Q1309 PolarHBondContact O-N 3.06Å; N1306-Q1309 PolarHBondContact OD1-NE2 3.48Å |
| 1307 | D | 70.9 | Confident | 73.7 | Confident | 48 Ų | 48 | 47.9 Ų | 47.9 | 26% | 0.257 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -31.9 | -179.1 | -67.4 | -26.6 | 0 | 0 | 0 | 113.6 | F1222 K1226 S1300 L1301 | F1222-D1307 HydrophobicContact CD1-CB 4.41Å; F1222-D1307 HydrophobicContact CD2-CB 3.92Å; F1222-D1307 HydrophobicContact CE2-CB 4.26Å; F1222-D1307 HydrophobicContact CG-CB 4.03Å; K1226-D1307 WeakPolarHBondContact CE-O 3.32Å; K1226-D1307 PolarHBondContact NZ-O 3.38Å; S1300-D1307 PolarHBondContact OG-OD2 3.17Å; L1301-D1307 HydrophobicContact CD2-CB 3.96Å |
| 1308 | L | 70.7 | Confident | 73.4 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 6.3 | 176.2 | -78.2 | 176.4 | 0 | 0 | 0 | 115 | F1222 L1301 N1306 L1321 M1322 L1366 Q1370 | F1222-L1308 HydrophobicContact CD1-CD2 4.25Å; F1222-L1308 HydrophobicContact CD1-CG 4.36Å; F1222-L1308 HydrophobicContact CE1-CD2 4.35Å; F1222-L1308 HydrophobicContact CE1-CG 4.15Å; L1301-L1308 HydrophobicContact CD1-CD1 3.57Å; L1301-L1308 HydrophobicContact CD1-CG 4.27Å; L1301-L1308 HydrophobicContact CD2-CB 4.19Å; L1301-L1308 HydrophobicContact CD2-CD1 3.9Å; L1301-L1308 HydrophobicContact CD2-CG 3.85Å; L1301-L1308 HydrophobicContact CG-CD1 4.42Å; N1306-L1308 PolarHBondContact O-N 2.86Å; N1306-L1308 VanDerWaalsContact O-N 3.14Å; L1308-L1321 HydrophobicContact CD2-CD2 3.81Å; L1308-L1321 HydrophobicContact CD2-CG 4.29Å; L1308-M1322 HydrophobicContact CD1-CB 4.08Å; L1308-M1322 HydrophobicContact CD1-CG 4.49Å; L1308-L1366 HydrophobicContact CB-CD1 3.9Å; L1308-L1366 HydrophobicContact CB-CD2 4.46Å; L1308-L1366 HydrophobicContact CD1-CD2 4.31Å; L1308-Q1370 PolarHBondContact O-NE2 3.3Å |
| 1309 | Q | 64.8 | Low | 73.2 | Confident | 72 Ų | 72 | 48.6 Ų | 48.6 | 34% | 0.336 | 28% | 0.279 | S | S | . | . | trans | -102.1 | 12 | 177.1 | -69.1 | 172.5 | 77.7 | 0 | 0 | 113 | S1305 N1306 K1369 | S1305-Q1309 PolarHBondContact O-NE2 3.22Å; N1306-Q1309 PolarHBondContact O-N 3.06Å; N1306-Q1309 PolarHBondContact OD1-NE2 3.48Å; Q1309-K1369 VanDerWaalsContact NE2-CD 3.34Å | ||
| 1310 | D | 66.9 | Low | 73.4 | Confident | 29 Ų | 29 | 51.7 Ų | 51.7 | 16% | 0.155 | 29% | 0.29 | C | S | . | . | trans | -63.6 | 126.9 | 176.7 | -172.3 | -18 | 0 | 0 | 0 | 111.2 | K1226 V1312 L1313 Y2190 | K1226-D1310 VanDerWaalsContact NZ-CB 3.31Å; K1226-D1310 IonicContact NZ-OD2 3.53Å; K1226-D1310 PolarHBondContact NZ-OD2 2.96Å; D1310-V1312 PolarHBondContact O-N 3Å; D1310-V1312 WeakPolarHBondContact OD1-CG2 3.45Å; D1310-V1312 PolarHBondContact OD1-N 3.3Å; D1310-L1313 PolarHBondContact O-N 3.31Å; D1310-Y2190 PolarHBondContact OD2-OH 3.13Å | ||
| 1311 | P | 68.6 | Low | 73.7 | Confident | 126 Ų | 126 | 51.2 Ų | 51.2 | 82% | 0.818 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -5.8 | -175.9 | 25 | -36.2 | 0 | 0 | 0 | 115.6 | L1313 | P1311-L1313 PolarHBondContact O-N 3.34Š|
| 1312 | V | 74.5 | Confident | 73.9 | Confident | 69 Ų | 69 | 51.2 Ų | 51.2 | 42% | 0.418 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -28.1 | 168.6 | 175.8 | 0 | 0 | 0 | 0 | 112.5 | V1230 D1310 | V1230-V1312 HydrophobicContact CG2-CG1 4.14Å; D1310-V1312 PolarHBondContact O-N 3Å; D1310-V1312 WeakPolarHBondContact OD1-CG2 3.45Å; D1310-V1312 PolarHBondContact OD1-N 3.3Å |
| 1313 | L | 78.7 | Confident | 74.6 | Confident | 16 Ų | 16 | 50.6 Ų | 50.6 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -109 | 134.8 | 176.2 | -64.6 | -178.6 | 0 | 0 | 0 | 111.6 | K1226 F1229 V1230 D1310 P1311 Q1317 A1318 L1321 | K1226-L1313 HydrophobicContact CG-CD1 3.94Å; K1226-L1313 HydrophobicContact CG-CG 4.26Å; F1229-L1313 HydrophobicContact CD1-CD2 4.14Å; V1230-L1313 HydrophobicContact CG2-CD2 3.64Å; D1310-L1313 PolarHBondContact O-N 3.31Å; P1311-L1313 PolarHBondContact O-N 3.34Å; L1313-Q1317 HydrophobicContact CB-CB 4.46Å; L1313-Q1317 HydrophobicContact CD2-CB 4.25Å; L1313-A1318 HydrophobicContact CB-CB 4.12Å; L1313-A1318 HydrophobicContact CD1-CB 4.12Å; L1313-L1321 HydrophobicContact CD1-CD2 3.84Å |
| 1314 | S | 80.5 | Confident | 75.2 | Confident | 59 Ų | 59 | 46.3 Ų | 46.3 | 41% | 0.413 | 26% | 0.259 | S | S | . | . | trans | -69.5 | 157.9 | 162.8 | 69.4 | 0 | 0 | 0 | 0 | 111 | A1316 Q1317 A1318 | S1314-A1316 VanDerWaalsContact C-N 3.29Å; S1314-A1316 PolarHBondContact O-N 2.86Å; S1314-Q1317 WeakPolarHBondContact O-CB 3.46Å; S1314-Q1317 PolarHBondContact O-N 3.26Å; S1314-Q1317 VanDerWaalsContact OG-CG 3.23Å; S1314-Q1317 WeakPolarHBondContact OG-CG 3.18Å; S1314-Q1317 PolarHBondContact OG-OE1 3.02Å; S1314-A1318 PolarHBondContact O-N 3.01Å | ||
| 1315 | S | 75.3 | Confident | 76.1 | Confident | 40 Ų | 40 | 41.9 Ų | 41.9 | 28% | 0.28 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56.2 | -41.1 | -178.8 | 176.3 | 0 | 0 | 0 | 0 | 113 | Q1317 A1318 Q1319 Q1370 | S1315-Q1317 VanDerWaalsContact C-N 3.31Å; S1315-Q1317 PolarHBondContact O-N 2.87Å; S1315-A1318 PolarHBondContact O-N 3.38Å; S1315-Q1319 WeakPolarHBondContact O-CB 3.47Å; S1315-Q1319 VanDerWaalsContact O-CG 3.31Å; S1315-Q1319 WeakPolarHBondContact O-CG 3.49Å; S1315-Q1319 PolarHBondContact O-N 3.44Å; S1315-Q1319 PolarHBondContact OG-NE2 3.08Å; S1315-Q1370 PolarHBondContact O-OE1 2.94Å; S1315-Q1370 VanDerWaalsContact OG-CB 3.26Å; S1315-Q1370 WeakPolarHBondContact OG-CB 3.48Å; S1315-Q1370 PolarHBondContact OG-OE1 2.91Å |
| 1316 | A | 77.2 | Confident | 76.9 | Confident | 56 Ų | 56 | 41.5 Ų | 41.5 | 46% | 0.463 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61 | -40.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1314 R1320 | S1314-A1316 VanDerWaalsContact C-N 3.29Å; S1314-A1316 PolarHBondContact O-N 2.86Å; A1316-R1320 WeakPolarHBondContact O-CG 3.41Å; A1316-R1320 PolarHBondContact O-N 2.83Å |
| 1317 | Q | 82.3 | Confident | 77.3 | Confident | 40 Ų | 40 | 39.5 Ų | 39.5 | 19% | 0.187 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.9 | -46.2 | 178.6 | -66.5 | 171.1 | -49.5 | 0 | 0 | 111.7 | F1229 D1233 L1313 S1314 S1315 Q1319 R1320 L1321 | F1229-Q1317 HydrophobicContact CD1-CB 4.2Å; F1229-Q1317 HydrophobicContact CE1-CB 3.49Å; F1229-Q1317 VanDerWaalsContact CE1-CB 3.49Å; F1229-Q1317 HydrophobicContact CE1-CG 3.69Å; F1229-Q1317 HydrophobicContact CZ-CB 4Å; F1229-Q1317 HydrophobicContact CZ-CG 4.33Å; D1233-Q1317 WeakPolarHBondContact OD2-CG 3.19Å; D1233-Q1317 PolarHBondContact OD2-NE2 3.4Å; L1313-Q1317 HydrophobicContact CB-CB 4.46Å; L1313-Q1317 HydrophobicContact CD2-CB 4.25Å; S1314-Q1317 WeakPolarHBondContact O-CB 3.46Å; S1314-Q1317 PolarHBondContact O-N 3.26Å; S1314-Q1317 VanDerWaalsContact OG-CG 3.23Å; S1314-Q1317 WeakPolarHBondContact OG-CG 3.18Å; S1314-Q1317 PolarHBondContact OG-OE1 3.02Å; S1315-Q1317 VanDerWaalsContact C-N 3.31Å; S1315-Q1317 PolarHBondContact O-N 2.87Å; Q1317-Q1319 VanDerWaalsContact C-N 3.29Å; Q1317-Q1319 PolarHBondContact O-N 3.06Å; Q1317-R1320 PolarHBondContact O-N 3.5Å; Q1317-R1320 VanDerWaalsContact O-N 3.16Å; Q1317-L1321 PolarHBondContact O-N 3.34Å |
| 1318 | A | 81.3 | Confident | 77.4 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62 | -35.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1313 S1314 S1315 M1322 | L1313-A1318 HydrophobicContact CB-CB 4.12Å; L1313-A1318 HydrophobicContact CD1-CB 4.12Å; S1314-A1318 PolarHBondContact O-N 3.01Å; S1315-A1318 PolarHBondContact O-N 3.38Å; A1318-M1322 WeakPolarHBondContact O-CB 3.48Å; A1318-M1322 PolarHBondContact O-N 2.85Å |
| 1319 | Q | 77.5 | Confident | 77.4 | Confident | 28 Ų | 28 | 45 Ų | 45 | 13% | 0.131 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.5 | -38.4 | 172.6 | -75 | -177.7 | 30.6 | 0 | 0 | 113.3 | S1315 Q1317 Q1323 | S1315-Q1319 WeakPolarHBondContact O-CB 3.47Å; S1315-Q1319 VanDerWaalsContact O-CG 3.31Å; S1315-Q1319 WeakPolarHBondContact O-CG 3.49Å; S1315-Q1319 PolarHBondContact O-N 3.44Å; S1315-Q1319 PolarHBondContact OG-NE2 3.08Å; Q1317-Q1319 VanDerWaalsContact C-N 3.29Å; Q1317-Q1319 PolarHBondContact O-N 3.06Å; Q1319-Q1323 PolarHBondContact O-N 3.36Å |
| 1320 | R | 82.3 | Confident | 77.4 | Confident | 111 Ų | 111 | 47.7 Ų | 47.7 | 42% | 0.419 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 172.5 | -73.5 | 174.6 | -172.4 | 164.4 | 5.9 | 111.2 | F1229 D1233 A1316 Q1317 Q1323 L1324 | F1229-R1320 HydrophobicContact CE2-CB 3.77Å; F1229-R1320 HydrophobicContact CZ-CB 3.78Å; D1233-R1320 IonicContact OD1-NH1 3.74Å; D1233-R1320 PolarHBondContact OD1-NH1 3.26Å; D1233-R1320 IonicContact OD2-NH1 2.74Å; D1233-R1320 PolarHBondContact OD2-NH1 3.03Å; A1316-R1320 WeakPolarHBondContact O-CG 3.41Å; A1316-R1320 PolarHBondContact O-N 2.83Å; Q1317-R1320 PolarHBondContact O-N 3.5Å; Q1317-R1320 VanDerWaalsContact O-N 3.16Å; R1320-Q1323 PolarHBondContact O-N 3.04Å; R1320-L1324 PolarHBondContact O-N 3.07Å |
| 1321 | L | 85.9 | Confident | 76.5 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 178 | 179 | 55.7 | 0 | 0 | 0 | 111.4 | L1225 F1229 L1284 L1308 L1313 Q1317 Q1323 L1324 I1325 | L1225-L1321 HydrophobicContact CB-CD1 4.22Å; L1225-L1321 HydrophobicContact CB-CD2 4.34Å; F1229-L1321 HydrophobicContact CD2-CB 3.71Å; F1229-L1321 HydrophobicContact CD2-CD1 4.05Å; F1229-L1321 HydrophobicContact CD2-CG 4.33Å; F1229-L1321 HydrophobicContact CE2-CB 4.01Å; F1229-L1321 HydrophobicContact CG-CB 4.43Å; L1284-L1321 HydrophobicContact CD1-CD1 4.04Å; L1284-L1321 HydrophobicContact CD2-CD1 4.37Å; L1308-L1321 HydrophobicContact CD2-CD2 3.81Å; L1308-L1321 HydrophobicContact CD2-CG 4.29Å; L1313-L1321 HydrophobicContact CD1-CD2 3.84Å; Q1317-L1321 PolarHBondContact O-N 3.34Å; L1321-Q1323 VanDerWaalsContact C-N 3.35Å; L1321-Q1323 PolarHBondContact O-N 2.61Å; L1321-L1324 WeakPolarHBondContact O-CB 3.25Å; L1321-L1324 PolarHBondContact O-N 3.02Å; L1321-L1324 VanDerWaalsContact O-N 3.14Å; L1321-I1325 HydrophobicContact CD1-CD1 4.25Å; L1321-I1325 HydrophobicContact CD1-CG1 4.43Å; L1321-I1325 HydrophobicContact CG-CD1 4.09Å; L1321-I1325 WeakPolarHBondContact O-CG1 2.96Å; L1321-I1325 PolarHBondContact O-N 2.93Å |
| 1322 | M | 81.8 | Confident | 75.5 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60 | -41.5 | 173.6 | -178.5 | -180 | 53.3 | 0 | 0 | 112.2 | L1308 A1318 L1324 I1325 C1326 L1362 E1363 L1366 | L1308-M1322 HydrophobicContact CD1-CB 4.08Å; L1308-M1322 HydrophobicContact CD1-CG 4.49Å; A1318-M1322 WeakPolarHBondContact O-CB 3.48Å; A1318-M1322 PolarHBondContact O-N 2.85Å; M1322-L1324 VanDerWaalsContact C-N 3.33Å; M1322-L1324 PolarHBondContact O-N 2.94Å; M1322-I1325 PolarHBondContact O-N 3.3Å; M1322-C1326 WeakPolarHBondContact O-CB 3.45Å; M1322-C1326 PolarHBondContact O-N 3.46Å; M1322-C1326 PolarHBondContact O-SG 3.37Å; M1322-L1362 HydrophobicContact CG-CD2 4.44Å; M1322-L1362 HydrophobicContact SD-CD2 4.29Å; M1322-L1362 HydrophobicContact SD-CG 4.47Å; M1322-E1363 HydrophobicContact CE-CB 4.05Å; M1322-E1363 HydrophobicContact CE-CG 3.8Å; M1322-E1363 HydrophobicContact SD-CB 4.35Å; M1322-L1366 HydrophobicContact CB-CD2 4.22Å; M1322-L1366 HydrophobicContact CE-CB 3.8Å; M1322-L1366 HydrophobicContact CE-CD2 3.55Å; M1322-L1366 HydrophobicContact CE-CG 4.29Å; M1322-L1366 HydrophobicContact SD-CB 3.61Å; M1322-L1366 HydrophobicContact SD-CD2 3.58Å; M1322-L1366 VanDerWaalsContact SD-CD2 3.58Å; M1322-L1366 HydrophobicContact SD-CG 4.14Å |
| 1323 | Q | 81.1 | Confident | 74 | Confident | 45 Ų | 45 | 54.5 Ų | 54.5 | 21% | 0.21 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.5 | -35.9 | 173.6 | -82.8 | -170.2 | -25.3 | 0 | 0 | 113 | Q1319 R1320 L1321 I1325 Y1327 E1363 | Q1319-Q1323 PolarHBondContact O-N 3.36Å; R1320-Q1323 PolarHBondContact O-N 3.04Å; L1321-Q1323 VanDerWaalsContact C-N 3.35Å; L1321-Q1323 PolarHBondContact O-N 2.61Å; Q1323-I1325 VanDerWaalsContact C-N 3.33Å; Q1323-Y1327 CarbonylContact O-C 3.57Å; Q1323-Y1327 WeakPolarHBondContact O-CA 3.39Å; Q1323-Y1327 PolarHBondContact O-N 2.78Å; Q1323-E1363 WeakPolarHBondContact CG-OE1 3.42Å; Q1323-E1363 PolarHBondContact NE2-OE1 3.08Å |
| 1324 | L | 83.4 | Confident | 72.2 | Confident | 38 Ų | 38 | 58 Ų | 58 | 20% | 0.199 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.7 | -35.8 | 172.4 | -99.3 | 146.3 | 0 | 0 | 0 | 112.5 | F1229 L1284 R1285 C1288 R1320 L1321 M1322 P1328 | F1229-L1324 HydrophobicContact CE2-CD1 4.46Å; L1284-L1324 HydrophobicContact CD2-CD1 3.89Å; R1285-L1324 HydrophobicContact CB-CD2 4.09Å; R1285-L1324 HydrophobicContact CG-CD2 4.5Å; C1288-L1324 WeakPolarHBondContact CB-O 3.31Å; R1320-L1324 PolarHBondContact O-N 3.07Å; L1321-L1324 WeakPolarHBondContact O-CB 3.25Å; L1321-L1324 PolarHBondContact O-N 3.02Å; L1321-L1324 VanDerWaalsContact O-N 3.14Å; M1322-L1324 VanDerWaalsContact C-N 3.33Å; M1322-L1324 PolarHBondContact O-N 2.94Å; L1324-P1328 VanDerWaalsContact O-CA 3.3Å; L1324-P1328 WeakPolarHBondContact O-CA 3.44Å; L1324-P1328 VanDerWaalsContact O-CB 3.32Å; L1324-P1328 WeakPolarHBondContact O-CB 3.33Å |
| 1325 | I | 83.9 | Confident | 70.6 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -74.5 | -44.1 | 175.6 | -66.4 | 164.5 | 0 | 0 | 0 | 111.5 | F1222 L1225 C1297 L1321 M1322 Q1323 | F1222-I1325 HydrophobicContact CE1-CD1 4.13Å; L1225-I1325 HydrophobicContact CD1-CD1 4.03Å; L1225-I1325 HydrophobicContact CD1-CG1 4.3Å; C1297-I1325 HydrophobicContact CB-CD1 4.35Å; C1297-I1325 HydrophobicContact CB-CG2 3.61Å; L1321-I1325 HydrophobicContact CD1-CD1 4.25Å; L1321-I1325 HydrophobicContact CD1-CG1 4.43Å; L1321-I1325 HydrophobicContact CG-CD1 4.09Å; L1321-I1325 WeakPolarHBondContact O-CG1 2.96Å; L1321-I1325 PolarHBondContact O-N 2.93Å; M1322-I1325 PolarHBondContact O-N 3.3Å; Q1323-I1325 VanDerWaalsContact C-N 3.33Å |
| 1326 | C | 78.2 | Confident | 69.1 | Low | 6 Ų | 6 | 64.3 Ų | 64.3 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -74.8 | -35.9 | -178.4 | -66 | 0 | 0 | 0 | 0 | 113.3 | M1322 P1328 Q1359 | M1322-C1326 WeakPolarHBondContact O-CB 3.45Å; M1322-C1326 PolarHBondContact O-N 3.46Å; M1322-C1326 PolarHBondContact O-SG 3.37Å; C1326-P1328 VanDerWaalsContact C-CD 3.5Å; C1326-Q1359 HydrophobicContact CB-CB 4.21Å; C1326-Q1359 HydrophobicContact CB-CG 4.26Å; C1326-Q1359 PolarHBondContact O-NE2 3.15Å |
| 1327 | Y | 78.4 | Confident | 68 | Low | 40 Ų | 40 | 63.6 Ų | 63.6 | 16% | 0.157 | 32% | 0.324 | C | S | . | . | trans | -135.3 | 54.8 | -170.8 | -54.1 | -61.2 | 0 | 0 | 0 | 113 | Q1323 H1329 R1330 | Q1323-Y1327 CarbonylContact O-C 3.57Å; Q1323-Y1327 WeakPolarHBondContact O-CA 3.39Å; Q1323-Y1327 PolarHBondContact O-N 2.78Å; Y1327-H1329 PolarHBondContact O-N 3.2Å; Y1327-R1330 PolarHBondContact O-N 3.49Å | ||
| 1328 | P | 72.2 | Confident | 66.8 | Low | 18 Ų | 18 | 71.8 Ų | 71.8 | 12% | 0.117 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -13 | -171.3 | 23.9 | -35.6 | 0 | 0 | 0 | 116 | C1288 Q1289 L1324 C1326 | C1288-P1328 HydrophobicContact CB-CB 4.22Å; C1288-P1328 WeakPolarHBondContact O-CB 3.24Å; C1288-P1328 WeakPolarHBondContact O-CG 3.26Å; Q1289-P1328 HydrophobicContact CG-CB 3.74Å; Q1289-P1328 PolarHBondContact NE2-O 2.66Å; L1324-P1328 VanDerWaalsContact O-CA 3.3Å; L1324-P1328 WeakPolarHBondContact O-CA 3.44Å; L1324-P1328 VanDerWaalsContact O-CB 3.32Å; L1324-P1328 WeakPolarHBondContact O-CB 3.33Å; C1326-P1328 VanDerWaalsContact C-CD 3.5Å |
| 1329 | H | 69.5 | Low | 66.6 | Low | 146 Ų | 146 | 74.3 Ų | 74.3 | 68% | 0.676 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -9.4 | 177.3 | -52 | -76 | 0 | 0 | 0 | 114.2 | Y1327 | Y1327-H1329 PolarHBondContact O-N 3.2Š|
| 1330 | R | 65.4 | Low | 66.7 | Low | 129 Ų | 129 | 75.4 Ų | 75.4 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | trans | -79.3 | 138.4 | 175.4 | -71.1 | -171.4 | 176.6 | -175.3 | -2.3 | 110.1 | R1285 Y1327 | R1285-R1330 PolarHBondContact NH2-O 2.97Å; Y1327-R1330 PolarHBondContact O-N 3.49Å | ||
| 1331 | L | 47.9 | Very low | 66.7 | Low | 129 Ų | 129 | 73 Ų | 73 | 68% | 0.675 | 38% | 0.379 | S | S | * | . | trans | -76.5 | 158 | 155.9 | -77.9 | 91.2 | 0 | 0 | 0 | 108.5 | D1333 | L1331-D1333 PolarHBondContact O-N 3.43Å; L1331-D1333 VanDerWaalsContact O-N 3.15Å | ||
| 1332 | L | 47.6 | Very low | 66.7 | Low | 125 Ų | 125 | 75.9 Ų | 75.9 | 65% | 0.654 | 39% | 0.39 | S | S | * | . | trans | -81.4 | 91.9 | 177 | -65.2 | 171.7 | 0 | 0 | 0 | 108.3 | ||||
| 1333 | D | 43 | Very low | 66.8 | Low | 114 Ų | 114 | 79.2 Ų | 79.2 | 61% | 0.61 | 41% | 0.405 | S | S | * | . | trans | -63.2 | 132.5 | 174.9 | -54.3 | -47.3 | 0 | 0 | 0 | 110.3 | L1331 R1347 | L1331-D1333 PolarHBondContact O-N 3.43Å; L1331-D1333 VanDerWaalsContact O-N 3.15Å; D1333-R1347 PolarHBondContact O-NH1 2.99Å | ||
| 1334 | S | 41.7 | Very low | 66.9 | Low | 89 Ų | 89 | 78.2 Ų | 78.2 | 62% | 0.622 | 40% | 0.4 | S | S | * | . | trans | -48.6 | 147.3 | -169.1 | -53.7 | 0 | 0 | 0 | 0 | 114.9 | D1336 R1347 | S1334-D1336 VanDerWaalsContact C-N 3.33Å; S1334-D1336 WeakPolarHBondContact CB-OD2 3.29Å; S1334-D1336 PolarHBondContact O-N 3.09Å; S1334-R1347 PolarHBondContact O-NH2 3.35Å; S1334-R1347 VanDerWaalsContact O-NH2 3.15Å | ||
| 1335 | E | 47.2 | Very low | 67.1 | Low | 102 Ų | 102 | 76.4 Ų | 76.4 | 48% | 0.477 | 39% | 0.39 | S | S | . | . | trans | -96 | 36 | -178.2 | -66.8 | -154.4 | 116.1 | 0 | 0 | 113.1 | G1337 P1340 | E1335-G1337 PolarHBondContact O-N 3.24Å; E1335-P1340 HydrophobicContact CB-CB 3.92Å | ||
| 1336 | D | 42.5 | Very low | 67.3 | Low | 129 Ų | 129 | 78.6 Ų | 78.6 | 69% | 0.69 | 40% | 0.4 | S | S | * | . | trans | -73.6 | 114.9 | -177.2 | -64.9 | -62.3 | 0 | 0 | 0 | 112.4 | S1334 Q1343 | S1334-D1336 VanDerWaalsContact C-N 3.33Å; S1334-D1336 WeakPolarHBondContact CB-OD2 3.29Å; S1334-D1336 PolarHBondContact O-N 3.09Å; D1336-Q1343 PolarHBondContact O-NE2 3Å | ||
| 1337 | G | 55.6 | Low | 67.6 | Low | 42 Ų | 42 | 82.3 Ų | 82.3 | 43% | 0.433 | 41% | 0.413 | S | S | . | . | S | Bend | trans | 152.3 | 159 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1335 N1339 | E1335-G1337 PolarHBondContact O-N 3.24Å; G1337-N1339 PolarHBondContact O-N 3.25Å |
| 1338 | E | 56.3 | Low | 68 | Low | 211 Ų | 211 | 80.8 Ų | 80.8 | 99% | 0.986 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -58.5 | -12.5 | -167.3 | -61 | -172.9 | 128.9 | 0 | 0 | 116.8 | ||
| 1339 | N | 78 | Confident | 68.7 | Low | 54 Ų | 54 | 80 Ų | 80 | 29% | 0.289 | 40% | 0.402 | S | S | . | . | trans | -152.4 | 91.6 | 173.8 | -176.1 | -24 | 0 | 0 | 0 | 110.3 | G1337 Q1341 R1342 Q1343 N1382 | G1337-N1339 PolarHBondContact O-N 3.25Å; N1339-Q1341 PolarHBondContact O-N 3.43Å; N1339-Q1341 PolarHBondContact OD1-N 2.83Å; N1339-R1342 HydrophobicContact CB-CB 4.1Å; N1339-R1342 VanDerWaalsContact CG-CB 3.43Å; N1339-R1342 PolarHBondContact O-N 3.27Å; N1339-R1342 WeakPolarHBondContact OD1-CB 3.23Å; N1339-R1342 PolarHBondContact OD1-N 3.41Å; N1339-Q1343 PolarHBondContact O-N 3.03Å; N1339-N1382 PolarHBondContact ND2-ND2 3.02Å; N1339-N1382 PolarHBondContact ND2-OD1 3.5Å | ||
| 1340 | P | 78.5 | Confident | 69.4 | Low | 51 Ų | 51 | 80.3 Ų | 80.3 | 33% | 0.331 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.6 | -38 | -175.3 | 25.5 | -34.4 | 0 | 0 | 0 | 112.3 | E1335 R1342 Q1343 R1344 | E1335-P1340 HydrophobicContact CB-CB 3.92Å; P1340-R1342 VanDerWaalsContact C-N 3.32Å; P1340-R1342 PolarHBondContact O-N 3.11Å; P1340-Q1343 WeakPolarHBondContact O-CB 3.48Å; P1340-Q1343 PolarHBondContact O-N 2.96Å; P1340-R1344 WeakPolarHBondContact O-CB 3.48Å; P1340-R1344 PolarHBondContact O-N 2.99Å |
| 1341 | Q | 82.8 | Confident | 70.1 | Confident | 59 Ų | 59 | 77.6 Ų | 77.6 | 28% | 0.276 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -55.6 | -46 | 174.7 | -174.8 | -171 | 81.4 | 0 | 0 | 111.5 | N1339 R1344 I1345 M1367 L1379 N1382 | N1339-Q1341 PolarHBondContact O-N 3.43Å; N1339-Q1341 PolarHBondContact OD1-N 2.83Å; Q1341-R1344 PolarHBondContact O-N 3.22Å; Q1341-I1345 HydrophobicContact CG-CD1 4.22Å; Q1341-I1345 WeakPolarHBondContact O-CD1 3.25Å; Q1341-I1345 VanDerWaalsContact O-CG1 3.29Å; Q1341-I1345 WeakPolarHBondContact O-CG1 3.44Å; Q1341-I1345 PolarHBondContact O-N 3.37Å; Q1341-M1367 HydrophobicContact CG-SD 4.05Å; Q1341-L1379 HydrophobicContact CG-CD1 4.14Å; Q1341-N1382 PolarHBondContact OE1-ND2 3.24Å |
| 1342 | R | 86 | Confident | 71.8 | Confident | 61 Ų | 61 | 71.8 Ų | 71.8 | 23% | 0.23 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.1 | -37.5 | 178.4 | -169.8 | 175.5 | -177.6 | -103.4 | -0.7 | 112.5 | N1339 P1340 K1346 N1382 K1385 A1386 E1389 | N1339-R1342 HydrophobicContact CB-CB 4.1Å; N1339-R1342 VanDerWaalsContact CG-CB 3.43Å; N1339-R1342 PolarHBondContact O-N 3.27Å; N1339-R1342 WeakPolarHBondContact OD1-CB 3.23Å; N1339-R1342 PolarHBondContact OD1-N 3.41Å; P1340-R1342 VanDerWaalsContact C-N 3.32Å; P1340-R1342 PolarHBondContact O-N 3.11Å; R1342-K1346 WeakPolarHBondContact O-CB 3.39Å; R1342-K1346 PolarHBondContact O-N 3.07Å; R1342-N1382 HydrophobicContact CB-CB 4.39Å; R1342-K1385 PolarHBondContact NH2-O 2.64Å; R1342-A1386 HydrophobicContact CG-CB 4.39Å; R1342-E1389 IonicContact CZ-OE1 3.9Å; R1342-E1389 IonicContact NH1-OE1 3.96Å; R1342-E1389 PolarHBondContact NH1-OE1 3.37Å; R1342-E1389 IonicContact NH1-OE2 3.01Å; R1342-E1389 IonicContact NH2-OE1 2.7Å; R1342-E1389 PolarHBondContact NH2-OE1 3.12Å; R1342-E1389 IonicContact NH2-OE2 2.8Å |
| 1343 | Q | 84.2 | Confident | 73.6 | Confident | 71 Ų | 71 | 68.6 Ų | 68.6 | 33% | 0.332 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 170.7 | -79 | -161.1 | 16.3 | 0 | 0 | 111.5 | D1336 N1339 P1340 I1345 K1346 R1347 | D1336-Q1343 PolarHBondContact O-NE2 3Å; N1339-Q1343 PolarHBondContact O-N 3.03Å; P1340-Q1343 WeakPolarHBondContact O-CB 3.48Å; P1340-Q1343 PolarHBondContact O-N 2.96Å; Q1343-I1345 PolarHBondContact O-N 2.91Å; Q1343-K1346 CarbonylContact O-C 3.54Å; Q1343-K1346 WeakPolarHBondContact O-CA 3.38Å; Q1343-K1346 WeakPolarHBondContact O-CB 3.4Å; Q1343-K1346 PolarHBondContact O-N 3.2Å; Q1343-K1346 VanDerWaalsContact O-N 3.09Å; Q1343-R1347 WeakPolarHBondContact O-CG 3.44Å; Q1343-R1347 PolarHBondContact O-N 3.23Å |
| 1344 | R | 82.2 | Confident | 75.5 | Confident | 25 Ų | 25 | 63.7 Ų | 63.7 | 9% | 0.094 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.9 | -46.2 | -180 | -177.4 | 173.1 | 170.1 | -170.9 | -2.4 | 111.5 | P1340 Q1341 K1346 R1347 I1348 E1363 | P1340-R1344 WeakPolarHBondContact O-CB 3.48Å; P1340-R1344 PolarHBondContact O-N 2.99Å; Q1341-R1344 PolarHBondContact O-N 3.22Å; R1344-K1346 VanDerWaalsContact C-N 3.3Å; R1344-K1346 PolarHBondContact O-N 3.45Å; R1344-R1347 WeakPolarHBondContact O-CB 3.33Å; R1344-R1347 PolarHBondContact O-N 3.15Å; R1344-R1347 VanDerWaalsContact O-N 3.12Å; R1344-I1348 HydrophobicContact CG-CD1 4.37Å; R1344-I1348 WeakPolarHBondContact O-CG1 3.38Å; R1344-I1348 PolarHBondContact O-N 2.88Å; R1344-E1363 IonicContact CZ-OE1 3.39Å; R1344-E1363 IonicContact NE-OE1 2.93Å; R1344-E1363 PolarHBondContact NE-OE1 3.35Å; R1344-E1363 IonicContact NH2-OE1 2.89Å; R1344-E1363 PolarHBondContact NH2-OE1 3.39Å |
| 1345 | I | 88.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.2 | -44.6 | 172.7 | -63.4 | 157.4 | 0 | 0 | 0 | 111.2 | Q1341 Q1343 R1347 I1348 L1349 L1364 M1367 L1379 N1382 I1383 A1386 | Q1341-I1345 HydrophobicContact CG-CD1 4.22Å; Q1341-I1345 WeakPolarHBondContact O-CD1 3.25Å; Q1341-I1345 VanDerWaalsContact O-CG1 3.29Å; Q1341-I1345 WeakPolarHBondContact O-CG1 3.44Å; Q1341-I1345 PolarHBondContact O-N 3.37Å; Q1343-I1345 PolarHBondContact O-N 2.91Å; I1345-R1347 VanDerWaalsContact C-N 3.34Å; I1345-R1347 PolarHBondContact O-N 3.49Å; I1345-I1348 PolarHBondContact O-N 2.73Å; I1345-L1349 HydrophobicContact CG2-CD1 3.95Å; I1345-L1349 HydrophobicContact CG2-CG 4.26Å; I1345-L1349 WeakPolarHBondContact O-CG 3.14Å; I1345-L1349 PolarHBondContact O-N 3.03Å; I1345-L1364 HydrophobicContact CG1-CD2 4.26Å; I1345-L1364 HydrophobicContact CG2-CD2 4.28Å; I1345-M1367 HydrophobicContact CD1-CE 4.02Å; I1345-M1367 HydrophobicContact CD1-SD 4.47Å; I1345-M1367 HydrophobicContact CG1-CE 3.75Å; I1345-M1367 HydrophobicContact CG1-SD 4.31Å; I1345-L1379 HydrophobicContact CD1-CD1 3.97Å; I1345-N1382 HydrophobicContact CD1-CB 4.18Å; I1345-I1383 HydrophobicContact CD1-CG1 3.67Å; I1345-I1383 HydrophobicContact CG1-CG1 4.34Å; I1345-I1383 HydrophobicContact CG2-CG1 4.48Å; I1345-A1386 HydrophobicContact CB-CB 4.13Å; I1345-A1386 HydrophobicContact CG2-CB 3.61Å |
| 1346 | K | 87.3 | Confident | 79.4 | Confident | 50 Ų | 50 | 57 Ų | 57 | 22% | 0.217 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.1 | -36.5 | 177.4 | -169.5 | 173.8 | -178.5 | 174.3 | 0 | 112.4 | R1342 Q1343 R1344 K1350 E1389 Q1393 | R1342-K1346 WeakPolarHBondContact O-CB 3.39Å; R1342-K1346 PolarHBondContact O-N 3.07Å; Q1343-K1346 CarbonylContact O-C 3.54Å; Q1343-K1346 WeakPolarHBondContact O-CA 3.38Å; Q1343-K1346 WeakPolarHBondContact O-CB 3.4Å; Q1343-K1346 PolarHBondContact O-N 3.2Å; Q1343-K1346 VanDerWaalsContact O-N 3.09Å; R1344-K1346 VanDerWaalsContact C-N 3.3Å; R1344-K1346 PolarHBondContact O-N 3.45Å; K1346-K1350 VanDerWaalsContact O-CB 3.23Å; K1346-K1350 WeakPolarHBondContact O-CB 3.39Å; K1346-K1350 PolarHBondContact O-N 2.68Å; K1346-E1389 WeakPolarHBondContact CD-OE2 3.07Å; K1346-E1389 WeakPolarHBondContact CE-OE2 3.33Å; K1346-E1389 IonicContact NZ-OE2 3.2Å; K1346-E1389 PolarHBondContact NZ-OE2 2.79Å; K1346-Q1393 VanDerWaalsContact NZ-NE2 3.14Å |
| 1347 | R | 85.1 | Confident | 81.4 | Confident | 83 Ų | 83 | 51.6 Ų | 51.6 | 31% | 0.313 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 172.4 | -67.2 | -178.4 | -141.6 | 176.2 | 0.1 | 111.6 | D1333 S1334 Q1343 R1344 I1345 N1351 | D1333-R1347 PolarHBondContact O-NH1 2.99Å; S1334-R1347 PolarHBondContact O-NH2 3.35Å; S1334-R1347 VanDerWaalsContact O-NH2 3.15Å; Q1343-R1347 WeakPolarHBondContact O-CG 3.44Å; Q1343-R1347 PolarHBondContact O-N 3.23Å; R1344-R1347 WeakPolarHBondContact O-CB 3.33Å; R1344-R1347 PolarHBondContact O-N 3.15Å; R1344-R1347 VanDerWaalsContact O-N 3.12Å; I1345-R1347 VanDerWaalsContact C-N 3.34Å; I1345-R1347 PolarHBondContact O-N 3.49Å; R1347-N1351 WeakPolarHBondContact O-CB 3.42Å; R1347-N1351 VanDerWaalsContact O-CG 3.23Å; R1347-N1351 PolarHBondContact O-N 3.23Å; R1347-N1351 PolarHBondContact O-ND2 3.43Å |
| 1348 | I | 86.4 | Confident | 82.7 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 5% | 0.046 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.8 | -55.6 | 175.1 | -64.5 | 163.1 | 0 | 0 | 0 | 109.8 | R1344 I1345 K1350 N1351 E1363 L1364 | R1344-I1348 HydrophobicContact CG-CD1 4.37Å; R1344-I1348 WeakPolarHBondContact O-CG1 3.38Å; R1344-I1348 PolarHBondContact O-N 2.88Å; I1345-I1348 PolarHBondContact O-N 2.73Å; I1348-K1350 VanDerWaalsContact C-N 3.31Å; I1348-K1350 PolarHBondContact O-N 3.12Å; I1348-N1351 PolarHBondContact O-N 3.49Å; I1348-E1363 HydrophobicContact CD1-CB 4.24Å; I1348-E1363 VanDerWaalsContact CD1-CD 3.46Å; I1348-E1363 HydrophobicContact CD1-CG 3.63Å; I1348-E1363 WeakPolarHBondContact CD1-OE2 3.43Å; I1348-E1363 WeakPolarHBondContact CG1-OE2 3.49Å; I1348-L1364 HydrophobicContact CD1-CD2 4.02Å; I1348-L1364 HydrophobicContact CG2-CG 4.41Å |
| 1349 | L | 87.6 | Confident | 84 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.2 | -29.6 | -176.2 | -63.9 | 178.1 | 0 | 0 | 0 | 113.7 | I1345 L1352 L1364 A1386 V1390 V1429 L1432 | I1345-L1349 HydrophobicContact CG2-CD1 3.95Å; I1345-L1349 HydrophobicContact CG2-CG 4.26Å; I1345-L1349 WeakPolarHBondContact O-CG 3.14Å; I1345-L1349 PolarHBondContact O-N 3.03Å; L1349-L1352 HydrophobicContact CD2-CD1 4.07Å; L1349-L1364 HydrophobicContact CD2-CD1 4.37Å; L1349-A1386 HydrophobicContact CD1-CB 4.33Å; L1349-V1390 HydrophobicContact CB-CG2 3.92Å; L1349-V1429 HydrophobicContact CD2-CG1 4.44Å; L1349-L1432 HydrophobicContact CD2-CD2 3.61Å |
| 1350 | K | 83.2 | Confident | 84.4 | Confident | 151 Ų | 151 | 39.9 Ų | 39.9 | 66% | 0.657 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -76.2 | -29.3 | 176.1 | -171.3 | -179.3 | 178 | -170.7 | 0 | 113 | K1346 I1348 L1352 | K1346-K1350 VanDerWaalsContact O-CB 3.23Å; K1346-K1350 WeakPolarHBondContact O-CB 3.39Å; K1346-K1350 PolarHBondContact O-N 2.68Å; I1348-K1350 VanDerWaalsContact C-N 3.31Å; I1348-K1350 PolarHBondContact O-N 3.12Å; K1350-L1352 VanDerWaalsContact C-N 3.32Å |
| 1351 | N | 80.1 | Confident | 84.8 | Confident | 72 Ų | 72 | 38 Ų | 38 | 39% | 0.385 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 17.7 | -178.6 | -68 | -37.6 | 0 | 0 | 0 | 113.2 | R1347 I1348 D1353 T1356 | R1347-N1351 WeakPolarHBondContact O-CB 3.42Å; R1347-N1351 VanDerWaalsContact O-CG 3.23Å; R1347-N1351 PolarHBondContact O-N 3.23Å; R1347-N1351 PolarHBondContact O-ND2 3.43Å; I1348-N1351 PolarHBondContact O-N 3.49Å; N1351-D1353 PolarHBondContact O-N 3.16Å; N1351-T1356 PolarHBondContact O-OG1 3.39Å |
| 1352 | L | 84.7 | Confident | 84.8 | Confident | 8 Ų | 8 | 35.5 Ų | 35.5 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | trans | -72 | 122.3 | -179.7 | -81.1 | 168.5 | 0 | 0 | 0 | 112.4 | L1349 K1350 M1357 G1425 L1428 V1429 L1432 | L1349-L1352 HydrophobicContact CD2-CD1 4.07Å; K1350-L1352 VanDerWaalsContact C-N 3.32Å; L1352-M1357 HydrophobicContact CD2-CG 4.33Å; L1352-M1357 HydrophobicContact CD2-SD 3.9Å; L1352-G1425 WeakPolarHBondContact O-CA 3.38Å; L1352-L1428 HydrophobicContact CB-CB 4.29Å; L1352-L1428 HydrophobicContact CB-CD1 4.33Å; L1352-L1428 HydrophobicContact CD1-CB 4.49Å; L1352-V1429 HydrophobicContact CD1-CG2 3.84Å; L1352-L1432 HydrophobicContact CD1-CD2 3.75Å; L1352-L1432 HydrophobicContact CD2-CD2 4Å; L1352-L1432 HydrophobicContact CG-CD2 4.43Å | ||
| 1353 | D | 85 | Confident | 84.8 | Confident | 58 Ų | 58 | 32.7 Ų | 32.7 | 31% | 0.31 | 15% | 0.15 | S | C | . | . | trans | -131.1 | 177.6 | 162.7 | 68 | 23.4 | 0 | 0 | 0 | 110.1 | N1351 W1355 T1356 M1357 L1428 | N1351-D1353 PolarHBondContact O-N 3.16Å; D1353-W1355 PolarHBondContact O-N 2.86Å; D1353-W1355 WeakPolarHBondContact OD1-CA 3.45Å; D1353-W1355 WeakPolarHBondContact OD1-CB 2.92Å; D1353-W1355 PolarHBondContact OD1-N 3.46Å; D1353-T1356 PolarHBondContact N-OG1 2.98Å; D1353-T1356 PolarHBondContact O-OG1 3.18Å; D1353-T1356 WeakPolarHBondContact OD1-CB 3.42Å; D1353-T1356 WeakPolarHBondContact OD1-CG2 3.34Å; D1353-T1356 PolarHBondContact OD1-N 2.94Å; D1353-T1356 PolarHBondContact OD1-OG1 3.43Å; D1353-M1357 WeakPolarHBondContact O-CG 3.32Å; D1353-M1357 PolarHBondContact O-N 3.1Å; D1353-L1428 VanDerWaalsContact CA-CD1 3.43Å | ||
| 1354 | Q | 82.2 | Confident | 85 | Confident | 11 Ų | 11 | 29.3 Ų | 29.3 | 5% | 0.051 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22.8 | -177.8 | 73.9 | -170.1 | 18.1 | 0 | 0 | 113.7 | L458 L461 E510 R1423 | L458-Q1354 HydrophobicContact CD2-CB 4.46Å; L461-Q1354 HydrophobicContact CD1-CB 3.71Å; L461-Q1354 HydrophobicContact CD1-CG 3.87Å; E510-Q1354 PolarHBondContact OE2-NE2 3.46Å; Q1354-R1423 VanDerWaalsContact OE1-CZ 3.26Å; Q1354-R1423 VanDerWaalsContact OE1-NH2 3.1Å |
| 1355 | W | 85 | Confident | 85.1 | Confident | 31 Ų | 31 | 30.4 Ų | 30.4 | 12% | 0.117 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -40.1 | -176.5 | -55.4 | 111.7 | 0 | 0 | 0 | 112.5 | L461 L507 E510 W511 K516 R517 D1353 | L461-W1355 HydrophobicContact CD2-CE3 4.07Å; L461-W1355 HydrophobicContact CD2-CH2 4.46Å; L461-W1355 HydrophobicContact CD2-CZ3 3.71Å; L507-W1355 HydrophobicContact CD1-CH2 4.37Å; E510-W1355 HydrophobicContact CB-CH2 4.29Å; E510-W1355 HydrophobicContact CB-CZ2 3.95Å; W511-W1355 HydrophobicContact CB-CH2 4.13Å; W511-W1355 HydrophobicContact CB-CZ3 4.44Å; K516-W1355 HydrophobicContact CB-CB 4.02Å; K516-W1355 HydrophobicContact CB-CD2 4.37Å; K516-W1355 HydrophobicContact CB-CE3 4.42Å; K516-W1355 HydrophobicContact CB-CG 4.2Å; K516-W1355 HydrophobicContact CG-CB 4.1Å; K516-W1355 HydrophobicContact CG-CG 4.13Å; R517-W1355 PolarHBondContact NH1-O 2.83Å; R517-W1355 PolarHBondContact NH2-O 3.38Å; R517-W1355 VanDerWaalsContact NH2-O 3.16Å; D1353-W1355 PolarHBondContact O-N 2.86Å; D1353-W1355 WeakPolarHBondContact OD1-CA 3.45Å; D1353-W1355 WeakPolarHBondContact OD1-CB 2.92Å; D1353-W1355 PolarHBondContact OD1-N 3.46Å |
| 1356 | T | 85.4 | Confident | 84.7 | Confident | 20 Ų | 20 | 30.7 Ų | 30.7 | 12% | 0.123 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -18.4 | -179.3 | 54.1 | 0 | 0 | 0 | 0 | 113.1 | N1351 D1353 R1358 Q1359 S1360 | N1351-T1356 PolarHBondContact O-OG1 3.39Å; D1353-T1356 PolarHBondContact N-OG1 2.98Å; D1353-T1356 PolarHBondContact O-OG1 3.18Å; D1353-T1356 WeakPolarHBondContact OD1-CB 3.42Å; D1353-T1356 WeakPolarHBondContact OD1-CG2 3.34Å; D1353-T1356 PolarHBondContact OD1-N 2.94Å; D1353-T1356 PolarHBondContact OD1-OG1 3.43Å; T1356-R1358 PolarHBondContact O-N 3.46Å; T1356-Q1359 WeakPolarHBondContact O-CA 3.33Å; T1356-Q1359 WeakPolarHBondContact O-CB 3.35Å; T1356-Q1359 PolarHBondContact O-N 3.48Å; T1356-S1360 PolarHBondContact O-N 3.36Å; T1356-S1360 PolarHBondContact O-OG 2.96Å |
| 1357 | M | 84.5 | Confident | 84.5 | Confident | 15 Ų | 15 | 28.5 Ų | 28.5 | 7% | 0.074 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -44.1 | -42 | 175.9 | -96 | -70.6 | -71.8 | 0 | 0 | 114.1 | L458 L1352 D1353 S1361 L1428 P1431 L1432 | L458-M1357 HydrophobicContact CD2-CG 4.22Å; L1352-M1357 HydrophobicContact CD2-CG 4.33Å; L1352-M1357 HydrophobicContact CD2-SD 3.9Å; D1353-M1357 WeakPolarHBondContact O-CG 3.32Å; D1353-M1357 PolarHBondContact O-N 3.1Å; M1357-S1361 VanDerWaalsContact O-CB 3.3Å; M1357-S1361 WeakPolarHBondContact O-CB 3.45Å; M1357-S1361 PolarHBondContact O-N 3.41Å; M1357-L1428 HydrophobicContact CG-CB 4.29Å; M1357-L1428 HydrophobicContact CG-CD1 4.26Å; M1357-L1428 HydrophobicContact SD-CB 3.96Å; M1357-P1431 HydrophobicContact CE-CB 3.94Å; M1357-L1432 HydrophobicContact CE-CB 4.23Å; M1357-L1432 HydrophobicContact SD-CB 3.93Å; M1357-L1432 HydrophobicContact SD-CD1 4.21Å |
| 1358 | R | 83.7 | Confident | 84.6 | Confident | 32 Ų | 32 | 25 Ų | 25 | 12% | 0.121 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.2 | -51.7 | 175.4 | -169.7 | -174.8 | -164.4 | 142 | 17.2 | 111.8 | D465 L1298 C1302 T1356 S1361 L1362 | D465-R1358 PolarHBondContact O-NH1 3.05Å; D465-R1358 VanDerWaalsContact O-NH1 3.07Å; D465-R1358 PolarHBondContact O-NH2 2.94Å; D465-R1358 IonicContact OD1-NH1 3.59Å; D465-R1358 WeakPolarHBondContact OD2-CD 3.2Å; D465-R1358 IonicContact OD2-CZ 3.69Å; D465-R1358 IonicContact OD2-NH1 3.35Å; D465-R1358 PolarHBondContact OD2-NH1 2.9Å; L1298-R1358 PolarHBondContact O-NE 3.47Å; C1302-R1358 WeakPolarHBondContact SG-CG 3.23Å; C1302-R1358 PolarHBondContact SG-NE 2.9Å; C1302-R1358 VanDerWaalsContact SG-NE 3.42Å; T1356-R1358 PolarHBondContact O-N 3.46Å; R1358-S1361 PolarHBondContact O-N 3.37Å; R1358-L1362 PolarHBondContact O-N 3.27Å |
| 1359 | Q | 84.2 | Confident | 84.3 | Confident | 27 Ų | 27 | 29.2 Ų | 29.2 | 13% | 0.126 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.2 | -46.7 | -178.6 | -62 | 165.2 | -23.5 | 0 | 0 | 111.2 | L1298 C1326 T1356 S1361 L1362 E1363 | L1298-Q1359 HydrophobicContact CD1-CG 3.94Å; L1298-Q1359 HydrophobicContact CD2-CG 3.89Å; C1326-Q1359 HydrophobicContact CB-CB 4.21Å; C1326-Q1359 HydrophobicContact CB-CG 4.26Å; C1326-Q1359 PolarHBondContact O-NE2 3.15Å; T1356-Q1359 WeakPolarHBondContact O-CA 3.33Å; T1356-Q1359 WeakPolarHBondContact O-CB 3.35Å; T1356-Q1359 PolarHBondContact O-N 3.48Å; Q1359-S1361 PolarHBondContact O-N 3.46Å; Q1359-L1362 WeakPolarHBondContact O-CB 3.41Å; Q1359-L1362 PolarHBondContact O-N 3Å; Q1359-L1362 VanDerWaalsContact O-N 3.14Å; Q1359-E1363 PolarHBondContact O-N 3.25Å |
| 1360 | S | 86.5 | Confident | 83.9 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.7 | -38.9 | 177.5 | -62 | 0 | 0 | 0 | 0 | 112.7 | T1356 L1362 L1364 | T1356-S1360 PolarHBondContact O-N 3.36Å; T1356-S1360 PolarHBondContact O-OG 2.96Å; S1360-L1362 VanDerWaalsContact C-N 3.33Å; S1360-L1364 WeakPolarHBondContact O-CG 3.23Å; S1360-L1364 PolarHBondContact O-N 2.96Å |
| 1361 | S | 87.1 | Confident | 83.8 | Confident | 13 Ų | 13 | 24.3 Ų | 24.3 | 9% | 0.091 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.1 | -41.5 | 173.2 | -170.3 | 0 | 0 | 0 | 0 | 111.1 | M1357 R1358 Q1359 Q1365 L1432 | M1357-S1361 VanDerWaalsContact O-CB 3.3Å; M1357-S1361 WeakPolarHBondContact O-CB 3.45Å; M1357-S1361 PolarHBondContact O-N 3.41Å; R1358-S1361 PolarHBondContact O-N 3.37Å; Q1359-S1361 PolarHBondContact O-N 3.46Å; S1361-Q1365 WeakPolarHBondContact O-CB 3.25Å; S1361-Q1365 VanDerWaalsContact O-CG 3.27Å; S1361-Q1365 WeakPolarHBondContact O-CG 3.4Å; S1361-Q1365 PolarHBondContact O-N 3.23Å; S1361-L1432 VanDerWaalsContact CA-CD1 3.48Å |
| 1362 | L | 82.9 | Confident | 83.8 | Confident | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.1 | -46.6 | 178.8 | -154.7 | 84.3 | 0 | 0 | 0 | 112.2 | L1298 L1301 M1322 R1358 Q1359 S1360 L1364 Q1365 L1366 | L1298-L1362 HydrophobicContact CD2-CD2 4.23Å; L1301-L1362 HydrophobicContact CB-CD1 3.72Å; L1301-L1362 HydrophobicContact CB-CD2 3.73Å; L1301-L1362 HydrophobicContact CB-CG 4.27Å; L1301-L1362 HydrophobicContact CD1-CD2 3.79Å; L1301-L1362 HydrophobicContact CG-CD2 4.41Å; L1301-L1362 WeakPolarHBondContact O-CD1 3.3Å; M1322-L1362 HydrophobicContact CG-CD2 4.44Å; M1322-L1362 HydrophobicContact SD-CD2 4.29Å; M1322-L1362 HydrophobicContact SD-CG 4.47Å; R1358-L1362 PolarHBondContact O-N 3.27Å; Q1359-L1362 WeakPolarHBondContact O-CB 3.41Å; Q1359-L1362 PolarHBondContact O-N 3Å; Q1359-L1362 VanDerWaalsContact O-N 3.14Å; S1360-L1362 VanDerWaalsContact C-N 3.33Å; L1362-L1364 VanDerWaalsContact C-N 3.34Å; L1362-L1364 PolarHBondContact O-N 3.26Å; L1362-Q1365 PolarHBondContact O-N 2.72Å; L1362-L1366 PolarHBondContact O-N 3.36Å |
| 1363 | E | 85 | Confident | 83.6 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.3 | -41.2 | -178.6 | -174.8 | 166.9 | -163.2 | 0 | 0 | 111.7 | M1322 Q1323 R1344 I1348 Q1359 M1367 | M1322-E1363 HydrophobicContact CE-CB 4.05Å; M1322-E1363 HydrophobicContact CE-CG 3.8Å; M1322-E1363 HydrophobicContact SD-CB 4.35Å; Q1323-E1363 WeakPolarHBondContact CG-OE1 3.42Å; Q1323-E1363 PolarHBondContact NE2-OE1 3.08Å; R1344-E1363 IonicContact CZ-OE1 3.39Å; R1344-E1363 IonicContact NE-OE1 2.93Å; R1344-E1363 PolarHBondContact NE-OE1 3.35Å; R1344-E1363 IonicContact NH2-OE1 2.89Å; R1344-E1363 PolarHBondContact NH2-OE1 3.39Å; I1348-E1363 HydrophobicContact CD1-CB 4.24Å; I1348-E1363 VanDerWaalsContact CD1-CD 3.46Å; I1348-E1363 HydrophobicContact CD1-CG 3.63Å; I1348-E1363 WeakPolarHBondContact CD1-OE2 3.43Å; I1348-E1363 WeakPolarHBondContact CG1-OE2 3.49Å; Q1359-E1363 PolarHBondContact O-N 3.25Å; E1363-M1367 VanDerWaalsContact O-CB 3.27Å; E1363-M1367 WeakPolarHBondContact O-CB 3.37Å; E1363-M1367 PolarHBondContact O-N 3.37Å |
| 1364 | L | 87.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.8 | -42.7 | 173.6 | -64.9 | 178.9 | 0 | 0 | 0 | 112.3 | I1345 I1348 L1349 S1360 L1362 M1367 I1368 L1432 L1436 | I1345-L1364 HydrophobicContact CG1-CD2 4.26Å; I1345-L1364 HydrophobicContact CG2-CD2 4.28Å; I1348-L1364 HydrophobicContact CD1-CD2 4.02Å; I1348-L1364 HydrophobicContact CG2-CG 4.41Å; L1349-L1364 HydrophobicContact CD2-CD1 4.37Å; S1360-L1364 WeakPolarHBondContact O-CG 3.23Å; S1360-L1364 PolarHBondContact O-N 2.96Å; L1362-L1364 VanDerWaalsContact C-N 3.34Å; L1362-L1364 PolarHBondContact O-N 3.26Å; L1364-M1367 HydrophobicContact CD2-CE 3.69Å; L1364-I1368 WeakPolarHBondContact O-CD1 3.31Å; L1364-I1368 WeakPolarHBondContact O-CG1 3.35Å; L1364-I1368 PolarHBondContact O-N 3.01Å; L1364-L1432 HydrophobicContact CD1-CD2 3.83Å; L1364-L1432 HydrophobicContact CD1-CG 4.31Å; L1364-L1436 HydrophobicContact CB-CD1 4.22Å; L1364-L1436 HydrophobicContact CB-CD2 3.93Å; L1364-L1436 HydrophobicContact CD1-CD1 3.98Å |
| 1365 | Q | 85.4 | Confident | 83.5 | Confident | 48 Ų | 48 | 38.4 Ų | 38.4 | 22% | 0.224 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65 | -42.6 | 178.7 | -78.3 | -176.7 | 7.9 | 0 | 0 | 112.9 | S1361 L1362 I1368 K1369 K1435 L1436 | S1361-Q1365 WeakPolarHBondContact O-CB 3.25Å; S1361-Q1365 VanDerWaalsContact O-CG 3.27Å; S1361-Q1365 WeakPolarHBondContact O-CG 3.4Å; S1361-Q1365 PolarHBondContact O-N 3.23Å; L1362-Q1365 PolarHBondContact O-N 2.72Å; Q1365-I1368 PolarHBondContact O-N 3.29Å; Q1365-K1369 PolarHBondContact O-N 3.06Å; Q1365-K1435 PolarHBondContact NE2-O 3.03Å; Q1365-L1436 HydrophobicContact CG-CD2 3.77Å |
| 1366 | L | 79.2 | Confident | 83.6 | Confident | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.6 | -44.8 | 178.8 | -162.2 | 86.5 | 0 | 0 | 0 | 110.9 | L1308 M1322 L1362 I1368 K1369 Q1370 | L1308-L1366 HydrophobicContact CB-CD1 3.9Å; L1308-L1366 HydrophobicContact CB-CD2 4.46Å; L1308-L1366 HydrophobicContact CD1-CD2 4.31Å; M1322-L1366 HydrophobicContact CB-CD2 4.22Å; M1322-L1366 HydrophobicContact CE-CB 3.8Å; M1322-L1366 HydrophobicContact CE-CD2 3.55Å; M1322-L1366 HydrophobicContact CE-CG 4.29Å; M1322-L1366 HydrophobicContact SD-CB 3.61Å; M1322-L1366 HydrophobicContact SD-CD2 3.58Å; M1322-L1366 VanDerWaalsContact SD-CD2 3.58Å; M1322-L1366 HydrophobicContact SD-CG 4.14Å; L1362-L1366 PolarHBondContact O-N 3.36Å; L1366-I1368 VanDerWaalsContact C-N 3.29Å; L1366-I1368 PolarHBondContact O-N 2.88Å; L1366-K1369 PolarHBondContact O-N 3.05Å; L1366-Q1370 HydrophobicContact CG-CG 4.29Å; L1366-Q1370 WeakPolarHBondContact O-CB 3.45Å; L1366-Q1370 WeakPolarHBondContact O-CG 3.36Å; L1366-Q1370 PolarHBondContact O-N 3.15Å |
| 1367 | M | 84.7 | Confident | 83.7 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.02 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -38.1 | 176.5 | -178.6 | -173.7 | 52.3 | 0 | 0 | 111.7 | Q1341 I1345 E1363 L1364 T1371 L1379 I1383 | Q1341-M1367 HydrophobicContact CG-SD 4.05Å; I1345-M1367 HydrophobicContact CD1-CE 4.02Å; I1345-M1367 HydrophobicContact CD1-SD 4.47Å; I1345-M1367 HydrophobicContact CG1-CE 3.75Å; I1345-M1367 HydrophobicContact CG1-SD 4.31Å; E1363-M1367 VanDerWaalsContact O-CB 3.27Å; E1363-M1367 WeakPolarHBondContact O-CB 3.37Å; E1363-M1367 PolarHBondContact O-N 3.37Å; L1364-M1367 HydrophobicContact CD2-CE 3.69Å; M1367-T1371 WeakPolarHBondContact O-CB 3.49Å; M1367-T1371 PolarHBondContact O-N 3.48Å; M1367-T1371 PolarHBondContact O-OG1 3.42Å; M1367-L1379 HydrophobicContact CE-CD1 3.66Å; M1367-L1379 HydrophobicContact CG-CD1 4.22Å; M1367-L1379 HydrophobicContact CG-CD2 4.06Å; M1367-L1379 WeakPolarHBondContact O-CD2 3.38Å; M1367-L1379 HydrophobicContact SD-CD1 3.8Å; M1367-I1383 HydrophobicContact CE-CD1 4.35Å; M1367-I1383 HydrophobicContact CE-CG1 4.49Å |
| 1368 | I | 86.1 | Confident | 84 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 5% | 0.051 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.7 | -54.9 | 171 | -68.5 | 161.6 | 0 | 0 | 0 | 110.5 | L1364 Q1365 L1366 Q1370 T1371 M1376 L1379 I1383 L1436 P1437 V1440 | L1364-I1368 WeakPolarHBondContact O-CD1 3.31Å; L1364-I1368 WeakPolarHBondContact O-CG1 3.35Å; L1364-I1368 PolarHBondContact O-N 3.01Å; Q1365-I1368 PolarHBondContact O-N 3.29Å; L1366-I1368 VanDerWaalsContact C-N 3.29Å; L1366-I1368 PolarHBondContact O-N 2.88Å; I1368-Q1370 VanDerWaalsContact C-N 3.26Å; I1368-Q1370 PolarHBondContact O-N 3.43Å; I1368-T1371 PolarHBondContact O-N 3.37Å; I1368-M1376 HydrophobicContact CG2-CE 4.3Å; I1368-M1376 HydrophobicContact CG2-SD 4.14Å; I1368-M1376 VanDerWaalsContact O-CE 3.28Å; I1368-M1376 WeakPolarHBondContact O-CE 3.33Å; I1368-L1379 HydrophobicContact CB-CD2 4.49Å; I1368-L1379 HydrophobicContact CG1-CD2 4.04Å; I1368-I1383 HydrophobicContact CD1-CD1 3.96Å; I1368-I1383 HydrophobicContact CG1-CD1 3.9Å; I1368-L1436 HydrophobicContact CD1-CD1 4.49Å; I1368-L1436 HydrophobicContact CD1-CD2 4.47Å; I1368-P1437 HydrophobicContact CG2-CG 4.43Å; I1368-V1440 HydrophobicContact CD1-CG2 3.58Å |
| 1369 | K | 80.9 | Confident | 84.3 | Confident | 97 Ų | 97 | 42.7 Ų | 42.7 | 42% | 0.422 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.3 | -34 | -175.5 | -79.6 | -167.3 | 174.9 | -176.3 | 0 | 113.9 | S1305 Q1309 Q1365 L1366 | S1305-K1369 PolarHBondContact OG-NZ 2.84Å; Q1309-K1369 VanDerWaalsContact NE2-CD 3.34Å; Q1365-K1369 PolarHBondContact O-N 3.06Å; L1366-K1369 PolarHBondContact O-N 3.05Å |
| 1370 | Q | 77.6 | Confident | 84.6 | Confident | 36 Ų | 36 | 41.6 Ų | 41.6 | 17% | 0.168 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -88.3 | -13.5 | -177.1 | -65.5 | -179.1 | -12.5 | 0 | 0 | 114.5 | L1308 S1315 L1366 I1368 | L1308-Q1370 PolarHBondContact O-NE2 3.3Å; S1315-Q1370 PolarHBondContact O-OE1 2.94Å; S1315-Q1370 VanDerWaalsContact OG-CB 3.26Å; S1315-Q1370 WeakPolarHBondContact OG-CB 3.48Å; S1315-Q1370 PolarHBondContact OG-OE1 2.91Å; L1366-Q1370 HydrophobicContact CG-CG 4.29Å; L1366-Q1370 WeakPolarHBondContact O-CB 3.45Å; L1366-Q1370 WeakPolarHBondContact O-CG 3.36Å; L1366-Q1370 PolarHBondContact O-N 3.15Å; I1368-Q1370 VanDerWaalsContact C-N 3.26Å; I1368-Q1370 PolarHBondContact O-N 3.43Å |
| 1371 | T | 82 | Confident | 84.8 | Confident | 14 Ų | 14 | 45 Ų | 45 | 9% | 0.086 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -74.6 | 127.7 | 179.5 | -66.5 | 0 | 0 | 0 | 0 | 110.1 | M1367 I1368 E1375 M1376 L1379 | M1367-T1371 WeakPolarHBondContact O-CB 3.49Å; M1367-T1371 PolarHBondContact O-N 3.48Å; M1367-T1371 PolarHBondContact O-OG1 3.42Å; I1368-T1371 PolarHBondContact O-N 3.37Å; T1371-E1375 HydrophobicContact CG2-CB 3.95Å; T1371-M1376 WeakPolarHBondContact O-CE 3.36Å; T1371-L1379 HydrophobicContact CG2-CB 4.2Å; T1371-L1379 HydrophobicContact CG2-CD2 4.21Å; T1371-L1379 VanDerWaalsContact OG1-CD2 3.3Å; T1371-L1379 WeakPolarHBondContact OG1-CD2 3.39Å |
| 1372 | P | 79.7 | Confident | 85 | Confident | 66 Ų | 66 | 45.5 Ų | 45.5 | 43% | 0.429 | 24% | 0.242 | S | C | . | . | trans | -63.8 | 147.7 | -178.8 | 26.7 | -34.6 | 0 | 0 | 0 | 111.4 | T1374 E1375 M1376 | P1372-T1374 PolarHBondContact O-N 2.9Å; P1372-E1375 HydrophobicContact CG-CB 4.32Å; P1372-E1375 HydrophobicContact CG-CG 4.43Å; P1372-E1375 PolarHBondContact O-N 3.45Å; P1372-M1376 PolarHBondContact O-N 3.4Å | ||
| 1373 | N | 79.9 | Confident | 85.5 | Confident | 146 Ų | 146 | 45.3 Ų | 45.3 | 78% | 0.781 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -19.3 | -176.4 | -76.8 | -35.7 | 0 | 0 | 0 | 114.8 | ||
| 1374 | T | 82.3 | Confident | 85.8 | Confident | 122 Ų | 122 | 45.2 Ų | 45.2 | 75% | 0.748 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -35.3 | 172.9 | 43.3 | 0 | 0 | 0 | 0 | 113.4 | P1372 | P1372-T1374 PolarHBondContact O-N 2.9Š|
| 1375 | E | 84.1 | Confident | 86 | Confident | 111 Ų | 111 | 49.1 Ų | 49.1 | 52% | 0.519 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -9.4 | -174.9 | -66.4 | 174.4 | -168.2 | 0 | 0 | 112.7 | T1371 P1372 N1377 S1378 L1379 | T1371-E1375 HydrophobicContact CG2-CB 3.95Å; P1372-E1375 HydrophobicContact CG-CB 4.32Å; P1372-E1375 HydrophobicContact CG-CG 4.43Å; P1372-E1375 PolarHBondContact O-N 3.45Å; E1375-N1377 VanDerWaalsContact C-N 3.28Å; E1375-N1377 PolarHBondContact O-N 3.45Å; E1375-S1378 PolarHBondContact O-N 3.43Å; E1375-S1378 PolarHBondContact O-OG 3.42Å; E1375-L1379 PolarHBondContact O-N 2.99Å |
| 1376 | M | 85.9 | Confident | 86.3 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 15% | 0.153 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -45.6 | -48.8 | 176.3 | -177.9 | 60.2 | 68.4 | 0 | 0 | 112.6 | I1368 T1371 P1372 S1378 L1379 L1380 | I1368-M1376 HydrophobicContact CG2-CE 4.3Å; I1368-M1376 HydrophobicContact CG2-SD 4.14Å; I1368-M1376 VanDerWaalsContact O-CE 3.28Å; I1368-M1376 WeakPolarHBondContact O-CE 3.33Å; T1371-M1376 WeakPolarHBondContact O-CE 3.36Å; P1372-M1376 PolarHBondContact O-N 3.4Å; M1376-S1378 PolarHBondContact O-N 2.9Å; M1376-L1379 PolarHBondContact O-N 3.38Å; M1376-L1380 HydrophobicContact CG-CD1 3.94Å; M1376-L1380 HydrophobicContact CG-CG 4.31Å; M1376-L1380 VanDerWaalsContact O-CG 3.27Å; M1376-L1380 WeakPolarHBondContact O-CG 3.27Å; M1376-L1380 PolarHBondContact O-N 3.31Å; M1376-L1380 HydrophobicContact SD-CD1 4.23Å; M1376-L1380 HydrophobicContact SD-CD2 4.36Å; M1376-L1380 HydrophobicContact SD-CG 4.13Å |
| 1377 | N | 88.4 | Confident | 86.8 | Confident | 100 Ų | 100 | 46.6 Ų | 46.6 | 54% | 0.535 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63 | -41 | -178.7 | -69.5 | -38.3 | 0 | 0 | 0 | 112.4 | E1375 L1380 E1381 | E1375-N1377 VanDerWaalsContact C-N 3.28Å; E1375-N1377 PolarHBondContact O-N 3.45Å; N1377-L1380 PolarHBondContact O-N 3.29Å; N1377-E1381 VanDerWaalsContact O-CB 3.3Å; N1377-E1381 WeakPolarHBondContact O-CB 3.46Å; N1377-E1381 PolarHBondContact O-N 3.42Å |
| 1378 | S | 89.9 | Confident | 87.1 | Confident | 58 Ų | 58 | 46.6 Ų | 46.6 | 41% | 0.406 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.7 | -35.7 | 174.9 | 30.3 | 0 | 0 | 0 | 0 | 112.6 | E1375 M1376 N1382 | E1375-S1378 PolarHBondContact O-N 3.43Å; E1375-S1378 PolarHBondContact O-OG 3.42Å; M1376-S1378 PolarHBondContact O-N 2.9Å; S1378-N1382 VanDerWaalsContact O-CB 3.3Å; S1378-N1382 WeakPolarHBondContact O-CB 3.19Å; S1378-N1382 PolarHBondContact O-N 3.46Å; S1378-N1382 PolarHBondContact O-ND2 3.09Å |
| 1379 | L | 90.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.4 | -49.4 | 171.6 | 170.7 | 61.4 | 0 | 0 | 0 | 111.5 | Q1341 I1345 M1367 I1368 T1371 E1375 M1376 E1381 N1382 I1383 | Q1341-L1379 HydrophobicContact CG-CD1 4.14Å; I1345-L1379 HydrophobicContact CD1-CD1 3.97Å; M1367-L1379 HydrophobicContact CE-CD1 3.66Å; M1367-L1379 HydrophobicContact CG-CD1 4.22Å; M1367-L1379 HydrophobicContact CG-CD2 4.06Å; M1367-L1379 WeakPolarHBondContact O-CD2 3.38Å; M1367-L1379 HydrophobicContact SD-CD1 3.8Å; I1368-L1379 HydrophobicContact CB-CD2 4.49Å; I1368-L1379 HydrophobicContact CG1-CD2 4.04Å; T1371-L1379 HydrophobicContact CG2-CB 4.2Å; T1371-L1379 HydrophobicContact CG2-CD2 4.21Å; T1371-L1379 VanDerWaalsContact OG1-CD2 3.3Å; T1371-L1379 WeakPolarHBondContact OG1-CD2 3.39Å; E1375-L1379 PolarHBondContact O-N 2.99Å; M1376-L1379 PolarHBondContact O-N 3.38Å; L1379-E1381 PolarHBondContact O-N 3.12Å; L1379-N1382 WeakPolarHBondContact O-CB 3.49Å; L1379-N1382 PolarHBondContact O-N 2.97Å; L1379-N1382 VanDerWaalsContact O-N 3.1Å; L1379-I1383 HydrophobicContact CD1-CD1 3.88Å; L1379-I1383 HydrophobicContact CD1-CG1 3.92Å; L1379-I1383 HydrophobicContact CG-CD1 3.94Å; L1379-I1383 HydrophobicContact CG-CG1 4.4Å; L1379-I1383 WeakPolarHBondContact O-CG1 3.21Å; L1379-I1383 PolarHBondContact O-N 2.72Å |
| 1380 | L | 91.3 | Very high | 87.5 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.3 | -37.8 | 179.7 | -65.3 | 174.4 | 0 | 0 | 0 | 111.4 | M1376 N1377 A1384 V1440 H1443 | M1376-L1380 HydrophobicContact CG-CD1 3.94Å; M1376-L1380 HydrophobicContact CG-CG 4.31Å; M1376-L1380 VanDerWaalsContact O-CG 3.27Å; M1376-L1380 WeakPolarHBondContact O-CG 3.27Å; M1376-L1380 PolarHBondContact O-N 3.31Å; M1376-L1380 HydrophobicContact SD-CD1 4.23Å; M1376-L1380 HydrophobicContact SD-CD2 4.36Å; M1376-L1380 HydrophobicContact SD-CG 4.13Å; N1377-L1380 PolarHBondContact O-N 3.29Å; L1380-A1384 WeakPolarHBondContact O-CB 3.41Å; L1380-A1384 PolarHBondContact O-N 3.41Å; L1380-V1440 HydrophobicContact CD2-CB 4.27Å; L1380-V1440 HydrophobicContact CD2-CG2 3.48Å; L1380-V1440 VanDerWaalsContact CD2-CG2 3.48Å; L1380-H1443 HydrophobicContact CB-CB 4.24Å |
| 1381 | E | 89.8 | Confident | 87.9 | Confident | 71 Ų | 71 | 42.7 Ų | 42.7 | 33% | 0.332 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -72.6 | -36 | 175 | -161.9 | 179.2 | 173.4 | 0 | 0 | 112.6 | N1377 L1379 K1385 | N1377-E1381 VanDerWaalsContact O-CB 3.3Å; N1377-E1381 WeakPolarHBondContact O-CB 3.46Å; N1377-E1381 PolarHBondContact O-N 3.42Å; L1379-E1381 PolarHBondContact O-N 3.12Å; E1381-K1385 VanDerWaalsContact CD-NZ 3.26Å; E1381-K1385 HydrophobicContact CG-CD 4.13Å; E1381-K1385 VanDerWaalsContact O-CB 3.29Å; E1381-K1385 WeakPolarHBondContact O-CB 3.39Å; E1381-K1385 VanDerWaalsContact O-CG 3.25Å; E1381-K1385 WeakPolarHBondContact O-CG 3.42Å; E1381-K1385 PolarHBondContact O-N 3.42Å; E1381-K1385 WeakPolarHBondContact OE1-CE 3.28Å; E1381-K1385 IonicContact OE1-NZ 3.75Å; E1381-K1385 PolarHBondContact OE1-NZ 2.97Å |
| 1382 | N | 92.2 | Very high | 87.9 | Confident | 24 Ų | 24 | 44.5 Ų | 44.5 | 13% | 0.128 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.6 | -43.4 | 171.2 | -79 | -27 | 0 | 0 | 0 | 111.7 | N1339 Q1341 R1342 I1345 S1378 L1379 A1386 | N1339-N1382 PolarHBondContact ND2-ND2 3.02Å; N1339-N1382 PolarHBondContact ND2-OD1 3.5Å; Q1341-N1382 PolarHBondContact OE1-ND2 3.24Å; R1342-N1382 HydrophobicContact CB-CB 4.39Å; I1345-N1382 HydrophobicContact CD1-CB 4.18Å; S1378-N1382 VanDerWaalsContact O-CB 3.3Å; S1378-N1382 WeakPolarHBondContact O-CB 3.19Å; S1378-N1382 PolarHBondContact O-N 3.46Å; S1378-N1382 PolarHBondContact O-ND2 3.09Å; L1379-N1382 WeakPolarHBondContact O-CB 3.49Å; L1379-N1382 PolarHBondContact O-N 2.97Å; L1379-N1382 VanDerWaalsContact O-N 3.1Å; N1382-A1386 VanDerWaalsContact O-CB 3.3Å; N1382-A1386 WeakPolarHBondContact O-CB 3.26Å; N1382-A1386 PolarHBondContact O-N 3.11Å |
| 1383 | I | 92.7 | Very high | 88 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.4 | -55.1 | 174.2 | -66.5 | 168.1 | 0 | 0 | 0 | 109.5 | I1345 M1367 I1368 L1379 K1385 A1386 T1387 I1433 V1440 | I1345-I1383 HydrophobicContact CD1-CG1 3.67Å; I1345-I1383 HydrophobicContact CG1-CG1 4.34Å; I1345-I1383 HydrophobicContact CG2-CG1 4.48Å; M1367-I1383 HydrophobicContact CE-CD1 4.35Å; M1367-I1383 HydrophobicContact CE-CG1 4.49Å; I1368-I1383 HydrophobicContact CD1-CD1 3.96Å; I1368-I1383 HydrophobicContact CG1-CD1 3.9Å; L1379-I1383 HydrophobicContact CD1-CD1 3.88Å; L1379-I1383 HydrophobicContact CD1-CG1 3.92Å; L1379-I1383 HydrophobicContact CG-CD1 3.94Å; L1379-I1383 HydrophobicContact CG-CG1 4.4Å; L1379-I1383 WeakPolarHBondContact O-CG1 3.21Å; L1379-I1383 PolarHBondContact O-N 2.72Å; I1383-K1385 VanDerWaalsContact C-N 3.35Å; I1383-K1385 PolarHBondContact O-N 3.27Å; I1383-A1386 PolarHBondContact O-N 2.8Å; I1383-T1387 PolarHBondContact O-N 3.46Å; I1383-T1387 PolarHBondContact O-OG1 2.91Å; I1383-T1387 VanDerWaalsContact O-OG1 3.12Å; I1383-I1433 HydrophobicContact CG2-CD1 4.44Å; I1383-V1440 HydrophobicContact CG2-CG1 3.76Å |
| 1384 | A | 92.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.1 | -47 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1380 A1386 T1387 I1388 H1443 V1444 A1447 | L1380-A1384 WeakPolarHBondContact O-CB 3.41Å; L1380-A1384 PolarHBondContact O-N 3.41Å; A1384-A1386 VanDerWaalsContact C-N 3.32Å; A1384-A1386 PolarHBondContact O-N 2.96Å; A1384-T1387 WeakPolarHBondContact O-CB 3.31Å; A1384-T1387 PolarHBondContact O-N 2.89Å; A1384-I1388 WeakPolarHBondContact O-CG1 3.39Å; A1384-I1388 PolarHBondContact O-N 3.02Å; A1384-I1388 VanDerWaalsContact O-N 3.09Å; A1384-H1443 HydrophobicContact CB-CB 4.03Å; A1384-H1443 WeakPolarHBondContact CB-O 3.32Å; A1384-V1444 HydrophobicContact CB-CG2 4.15Å; A1384-A1447 HydrophobicContact CB-CB 3.87Å |
| 1385 | K | 91.3 | Very high | 87.3 | Confident | 82 Ų | 82 | 34.5 Ų | 34.5 | 36% | 0.357 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -67.6 | -28.2 | 177.8 | -71.7 | 172.9 | -178.7 | 166.2 | 0 | 113.2 | R1342 E1381 I1383 E1389 | R1342-K1385 PolarHBondContact NH2-O 2.64Å; E1381-K1385 VanDerWaalsContact CD-NZ 3.26Å; E1381-K1385 HydrophobicContact CG-CD 4.13Å; E1381-K1385 VanDerWaalsContact O-CB 3.29Å; E1381-K1385 WeakPolarHBondContact O-CB 3.39Å; E1381-K1385 VanDerWaalsContact O-CG 3.25Å; E1381-K1385 WeakPolarHBondContact O-CG 3.42Å; E1381-K1385 PolarHBondContact O-N 3.42Å; E1381-K1385 WeakPolarHBondContact OE1-CE 3.28Å; E1381-K1385 IonicContact OE1-NZ 3.75Å; E1381-K1385 PolarHBondContact OE1-NZ 2.97Å; I1383-K1385 VanDerWaalsContact C-N 3.35Å; I1383-K1385 PolarHBondContact O-N 3.27Å; K1385-E1389 PolarHBondContact O-N 2.75Å |
| 1386 | A | 91.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -76.2 | -39.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | R1342 I1345 L1349 N1382 I1383 A1384 E1389 V1390 | R1342-A1386 HydrophobicContact CG-CB 4.39Å; I1345-A1386 HydrophobicContact CB-CB 4.13Å; I1345-A1386 HydrophobicContact CG2-CB 3.61Å; L1349-A1386 HydrophobicContact CD1-CB 4.33Å; N1382-A1386 VanDerWaalsContact O-CB 3.3Å; N1382-A1386 WeakPolarHBondContact O-CB 3.26Å; N1382-A1386 PolarHBondContact O-N 3.11Å; I1383-A1386 PolarHBondContact O-N 2.8Å; A1384-A1386 VanDerWaalsContact C-N 3.32Å; A1384-A1386 PolarHBondContact O-N 2.96Å; A1386-E1389 PolarHBondContact O-N 3.28Å; A1386-V1390 PolarHBondContact O-N 2.84Å |
| 1387 | T | 91.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.9 | -52.3 | 172.6 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | I1383 A1384 E1389 V1390 F1391 V1429 V1444 L1485 | I1383-T1387 PolarHBondContact O-N 3.46Å; I1383-T1387 PolarHBondContact O-OG1 2.91Å; I1383-T1387 VanDerWaalsContact O-OG1 3.12Å; A1384-T1387 WeakPolarHBondContact O-CB 3.31Å; A1384-T1387 PolarHBondContact O-N 2.89Å; T1387-E1389 VanDerWaalsContact C-N 3.34Å; T1387-E1389 PolarHBondContact O-N 3.15Å; T1387-V1390 PolarHBondContact O-N 3.1Å; T1387-F1391 HydrophobicContact CG2-CE2 4.49Å; T1387-F1391 WeakPolarHBondContact O-CD2 3.32Å; T1387-V1429 HydrophobicContact CG2-CG1 3.87Å; T1387-V1444 HydrophobicContact CG2-CG1 4.15Å; T1387-L1485 HydrophobicContact CG2-CD1 4.25Å; T1387-L1485 HydrophobicContact CG2-CD2 3.51Å |
| 1388 | I | 90 | Very high | 83.7 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64 | -36 | -179.3 | -57 | -60.5 | 0 | 0 | 0 | 112.2 | A1384 V1390 F1391 Q1392 A1447 A1448 E1451 F1482 | A1384-I1388 WeakPolarHBondContact O-CG1 3.39Å; A1384-I1388 PolarHBondContact O-N 3.02Å; A1384-I1388 VanDerWaalsContact O-N 3.09Å; I1388-V1390 VanDerWaalsContact C-N 3.33Å; I1388-V1390 PolarHBondContact O-N 3.26Å; I1388-F1391 PolarHBondContact O-N 2.87Å; I1388-Q1392 WeakPolarHBondContact O-CG 3.44Å; I1388-Q1392 PolarHBondContact O-N 3.11Å; I1388-A1447 HydrophobicContact CG1-CB 3.9Å; I1388-A1448 HydrophobicContact CD1-CB 3.94Å; I1388-E1451 HydrophobicContact CG2-CB 4.28Å; I1388-E1451 HydrophobicContact CG2-CG 4Å; I1388-F1482 HydrophobicContact CD1-CE2 3.88Å |
| 1389 | E | 88.6 | Confident | 81.3 | Confident | 48 Ų | 48 | 35.6 Ų | 35.6 | 22% | 0.224 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.6 | -34.1 | 176.9 | -93.4 | -171.7 | -157.8 | 0 | 0 | 113.7 | R1342 K1346 K1385 A1386 T1387 F1391 Q1392 Q1393 | R1342-E1389 IonicContact CZ-OE1 3.9Å; R1342-E1389 IonicContact NH1-OE1 3.96Å; R1342-E1389 PolarHBondContact NH1-OE1 3.37Å; R1342-E1389 IonicContact NH1-OE2 3.01Å; R1342-E1389 IonicContact NH2-OE1 2.7Å; R1342-E1389 PolarHBondContact NH2-OE1 3.12Å; R1342-E1389 IonicContact NH2-OE2 2.8Å; K1346-E1389 WeakPolarHBondContact CD-OE2 3.07Å; K1346-E1389 WeakPolarHBondContact CE-OE2 3.33Å; K1346-E1389 IonicContact NZ-OE2 3.2Å; K1346-E1389 PolarHBondContact NZ-OE2 2.79Å; K1385-E1389 PolarHBondContact O-N 2.75Å; A1386-E1389 PolarHBondContact O-N 3.28Å; T1387-E1389 VanDerWaalsContact C-N 3.34Å; T1387-E1389 PolarHBondContact O-N 3.15Å; E1389-F1391 VanDerWaalsContact C-N 3.33Å; E1389-F1391 PolarHBondContact O-N 2.96Å; E1389-Q1392 PolarHBondContact O-N 2.93Å; E1389-Q1393 WeakPolarHBondContact O-CG 3.42Å; E1389-Q1393 PolarHBondContact O-N 3.19Å |
| 1390 | V | 86.9 | Confident | 78.7 | Confident | 13 Ų | 13 | 39.7 Ų | 39.7 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | 177.8 | 171.4 | 0 | 0 | 0 | 0 | 111 | L1349 A1386 T1387 I1388 Q1393 S1394 V1426 V1429 | L1349-V1390 HydrophobicContact CB-CG2 3.92Å; A1386-V1390 PolarHBondContact O-N 2.84Å; T1387-V1390 PolarHBondContact O-N 3.1Å; I1388-V1390 VanDerWaalsContact C-N 3.33Å; I1388-V1390 PolarHBondContact O-N 3.26Å; V1390-Q1393 PolarHBondContact O-N 3.39Å; V1390-S1394 PolarHBondContact O-N 3.19Å; V1390-S1394 VanDerWaalsContact O-N 3.15Å; V1390-V1426 HydrophobicContact CG1-CG2 4.21Å; V1390-V1429 HydrophobicContact CG1-CG2 4.49Å |
| 1391 | F | 85.9 | Confident | 75.8 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.6 | -29.6 | 173.5 | -75.6 | -85.1 | 0 | 0 | 0 | 113.3 | T1387 I1388 E1389 S1394 A1395 V1426 V1429 L1476 P1481 F1482 L1485 | T1387-F1391 HydrophobicContact CG2-CE2 4.49Å; T1387-F1391 WeakPolarHBondContact O-CD2 3.32Å; I1388-F1391 PolarHBondContact O-N 2.87Å; E1389-F1391 VanDerWaalsContact C-N 3.33Å; E1389-F1391 PolarHBondContact O-N 2.96Å; F1391-S1394 PolarHBondContact O-OG 3.42Å; F1391-A1395 WeakPolarHBondContact O-CB 3.4Å; F1391-A1395 PolarHBondContact O-N 3.23Å; F1391-V1426 HydrophobicContact CD1-CG1 3.57Å; F1391-V1426 HydrophobicContact CE1-CG1 3.21Å; F1391-V1426 HydrophobicContact CG-CG1 4.36Å; F1391-V1426 HydrophobicContact CZ-CG1 3.75Å; F1391-V1426 WeakPolarHBondContact CZ-O 3.39Å; F1391-V1429 HydrophobicContact CE2-CB 4.07Å; F1391-V1429 HydrophobicContact CE2-CG1 3.99Å; F1391-V1429 HydrophobicContact CE2-CG2 4.46Å; F1391-V1429 HydrophobicContact CZ-CB 4.3Å; F1391-L1476 HydrophobicContact CB-CD2 3.82Å; F1391-L1476 WeakPolarHBondContact O-CD2 3.46Å; F1391-P1481 HydrophobicContact CE1-CB 3.9Å; F1391-P1481 HydrophobicContact CE1-CG 4.17Å; F1391-P1481 WeakPolarHBondContact CE1-O 3.38Å; F1391-F1482 HydrophobicContact CB-CD2 3.97Å; F1391-F1482 HydrophobicContact CD1-CB 3.7Å; F1391-F1482 AromaticContact CD1-CD2 3.96Å; F1391-F1482 HydrophobicContact CD1-CD2 3.96Å; F1391-F1482 HydrophobicContact CD1-CG 4.32Å; F1391-F1482 HydrophobicContact CD2-CD2 4.29Å; F1391-F1482 HydrophobicContact CE1-CB 4.01Å; F1391-F1482 HydrophobicContact CG-CB 4.41Å; F1391-F1482 AromaticContact CG-CD2 3.8Å; F1391-F1482 HydrophobicContact CG-CD2 3.8Å; F1391-L1485 HydrophobicContact CD2-CD2 4.15Å; F1391-L1485 HydrophobicContact CE2-CB 4.49Å; F1391-L1485 HydrophobicContact CE2-CD2 3.71Å; F1391-L1485 HydrophobicContact CZ-CB 4.31Å; F1391-L1485 HydrophobicContact CZ-CD2 4.33Å |
| 1392 | Q | 83.1 | Confident | 72.9 | Confident | 51 Ų | 51 | 43.5 Ų | 43.5 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.2 | -44.8 | 172.5 | -71.8 | 176.4 | -1.2 | 0 | 0 | 111.5 | I1388 E1389 S1394 A1395 E1396 E1451 L1476 | I1388-Q1392 WeakPolarHBondContact O-CG 3.44Å; I1388-Q1392 PolarHBondContact O-N 3.11Å; E1389-Q1392 PolarHBondContact O-N 2.93Å; Q1392-S1394 PolarHBondContact O-N 3.07Å; Q1392-A1395 PolarHBondContact O-N 3.31Å; Q1392-E1396 PolarHBondContact O-N 3.47Å; Q1392-E1451 PolarHBondContact NE2-OE1 2.83Å; Q1392-E1451 VanDerWaalsContact NE2-OE1 3.1Å; Q1392-L1476 HydrophobicContact CG-CD1 4.01Å; Q1392-L1476 HydrophobicContact CG-CD2 4.16Å; Q1392-L1476 HydrophobicContact CG-CG 4.49Å |
| 1393 | Q | 81.3 | Confident | 69.9 | Low | 87 Ų | 87 | 47.5 Ų | 47.5 | 41% | 0.407 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.7 | -36.6 | 179.6 | -70.3 | -171.8 | -27.8 | 0 | 0 | 112.5 | K1346 E1389 V1390 T1397 | K1346-Q1393 VanDerWaalsContact NZ-NE2 3.14Å; E1389-Q1393 WeakPolarHBondContact O-CG 3.42Å; E1389-Q1393 PolarHBondContact O-N 3.19Å; V1390-Q1393 PolarHBondContact O-N 3.39Å; Q1393-T1397 WeakPolarHBondContact O-CB 3.49Å; Q1393-T1397 PolarHBondContact O-N 2.97Å; Q1393-T1397 VanDerWaalsContact O-N 3.09Å; Q1393-T1397 PolarHBondContact O-OG1 2.99Å |
| 1394 | S | 76.4 | Confident | 66.8 | Low | 29 Ų | 29 | 53.9 Ų | 53.9 | 20% | 0.203 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.5 | -37.3 | 174.1 | 66.3 | 0 | 0 | 0 | 0 | 112.9 | V1390 F1391 Q1392 T1397 G1398 Q1479 | V1390-S1394 PolarHBondContact O-N 3.19Å; V1390-S1394 VanDerWaalsContact O-N 3.15Å; F1391-S1394 PolarHBondContact O-OG 3.42Å; Q1392-S1394 PolarHBondContact O-N 3.07Å; S1394-T1397 PolarHBondContact O-N 3.05Å; S1394-G1398 PolarHBondContact O-N 3.15Å; S1394-Q1479 PolarHBondContact OG-NE2 2.87Å; S1394-Q1479 PolarHBondContact OG-OE1 3.15Å; S1394-Q1479 VanDerWaalsContact OG-OE1 3.05Å |
| 1395 | A | 69.6 | Low | 63.6 | Low | 9 Ų | 9 | 58.2 Ų | 58.2 | 7% | 0.074 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.4 | -37.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1391 Q1392 S1399 | F1391-A1395 WeakPolarHBondContact O-CB 3.4Å; F1391-A1395 PolarHBondContact O-N 3.23Å; Q1392-A1395 PolarHBondContact O-N 3.31Å; A1395-S1399 PolarHBondContact O-N 3.31Å; A1395-S1399 PolarHBondContact O-OG 2.87Å |
| 1396 | E | 68.1 | Low | 60.4 | Low | 85 Ų | 85 | 59.4 Ų | 59.4 | 40% | 0.397 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.4 | -45.3 | 175.5 | -68 | 179.1 | -131.3 | 0 | 0 | 111.1 | Q1392 G1398 S1399 S1400 K1472 | Q1392-E1396 PolarHBondContact O-N 3.47Å; E1396-G1398 PolarHBondContact O-N 2.94Å; E1396-S1399 WeakPolarHBondContact O-CB 3.28Å; E1396-S1399 PolarHBondContact O-N 3.32Å; E1396-S1400 PolarHBondContact O-N 3.38Å; E1396-S1400 PolarHBondContact O-OG 3.4Å; E1396-K1472 VanDerWaalsContact CD-CE 3.48Å; E1396-K1472 WeakPolarHBondContact OE1-CE 3.29Å; E1396-K1472 IonicContact OE1-NZ 2.94Å; E1396-K1472 PolarHBondContact OE1-NZ 3.31Å; E1396-K1472 WeakPolarHBondContact OE2-CE 3.47Å; E1396-K1472 IonicContact OE2-NZ 3.73Å; E1396-K1472 PolarHBondContact OE2-NZ 3.49Å |
| 1397 | T | 65.5 | Low | 57.3 | Low | 96 Ų | 96 | 67.3 Ų | 67.3 | 59% | 0.589 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.2 | -42.2 | 179.9 | -51.1 | 0 | 0 | 0 | 0 | 112.3 | Q1393 S1394 S1399 S1400 | Q1393-T1397 WeakPolarHBondContact O-CB 3.49Å; Q1393-T1397 PolarHBondContact O-N 2.97Å; Q1393-T1397 VanDerWaalsContact O-N 3.09Å; Q1393-T1397 PolarHBondContact O-OG1 2.99Å; S1394-T1397 PolarHBondContact O-N 3.05Å; T1397-S1399 PolarHBondContact O-N 3.48Å; T1397-S1400 PolarHBondContact O-N 3.03Å; T1397-S1400 PolarHBondContact O-OG 2.74Å |
| 1398 | G | 50.2 | Low | 54.2 | Low | 57 Ų | 57 | 75.7 Ų | 75.7 | 59% | 0.588 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69.6 | -12.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1394 E1396 | S1394-G1398 PolarHBondContact O-N 3.15Å; E1396-G1398 PolarHBondContact O-N 2.94Å |
| 1399 | S | 39.7 | Very low | 51.2 | Low | 85 Ų | 85 | 80.5 Ų | 80.5 | 59% | 0.594 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -91.4 | -21.3 | 177.7 | -60.4 | 0 | 0 | 0 | 0 | 113 | A1395 E1396 T1397 | A1395-S1399 PolarHBondContact O-N 3.31Å; A1395-S1399 PolarHBondContact O-OG 2.87Å; E1396-S1399 WeakPolarHBondContact O-CB 3.28Å; E1396-S1399 PolarHBondContact O-N 3.32Å; T1397-S1399 PolarHBondContact O-N 3.48Å |
| 1400 | S | 34.6 | Very low | 48.1 | Very low | 86 Ų | 86 | 84.5 Ų | 84.5 | 60% | 0.601 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -86.8 | -15.6 | -175.1 | 35.1 | 0 | 0 | 0 | 0 | 115.6 | E1396 T1397 G1402 | E1396-S1400 PolarHBondContact O-N 3.38Å; E1396-S1400 PolarHBondContact O-OG 3.4Å; T1397-S1400 PolarHBondContact O-N 3.03Å; T1397-S1400 PolarHBondContact O-OG 2.74Å; S1400-G1402 VanDerWaalsContact C-N 3.32Å; S1400-G1402 PolarHBondContact O-N 3.49Å |
| 1401 | S | 32.3 | Very low | 45.2 | Very low | 81 Ų | 81 | 89.1 Ų | 89.1 | 57% | 0.566 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -80.2 | -7.2 | -176.8 | 50.9 | 0 | 0 | 0 | 0 | 114.7 | S1403 | S1401-S1403 PolarHBondContact O-N 3.33Š|
| 1402 | G | 28.1 | Very low | 42.4 | Very low | 74 Ų | 74 | 94 Ų | 94 | 76% | 0.763 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 21.9 | -172 | 0 | 0 | 0 | 0 | 0 | 116.9 | S1400 | S1400-G1402 VanDerWaalsContact C-N 3.32Å; S1400-G1402 PolarHBondContact O-N 3.49Å |
| 1403 | S | 29 | Very low | 39.7 | Very low | 107 Ų | 107 | 102.5 Ų | 102.5 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.7 | -16.5 | -171.8 | -59 | 0 | 0 | 0 | 0 | 115.9 | S1401 | S1401-S1403 PolarHBondContact O-N 3.33Š|
| 1404 | T | 27.5 | Very low | 37.2 | Very low | 135 Ų | 135 | 102 Ų | 102 | 83% | 0.828 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -143.4 | 40.2 | -172.1 | 54.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1405 | A | 25 | Very low | 34.9 | Very low | 92 Ų | 92 | 110 Ų | 110 | 76% | 0.76 | 70% | 0.695 | S | S | * | * | trans | -138.8 | 49.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1406 | S | 24.2 | Very low | 33 | Very low | 107 Ų | 107 | 113 Ų | 113 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | trans | -124.8 | 69.8 | 176.7 | 61.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1407 | N | 26.6 | Very low | 31.7 | Very low | 166 Ų | 166 | 111.4 Ų | 111.4 | 89% | 0.888 | 71% | 0.71 | S | S | * | * | trans | 179.9 | 100.2 | 149.8 | -93.9 | -10.7 | 0 | 0 | 0 | 110.6 | ||||
| 1408 | M | 25.9 | Very low | 30.6 | Very low | 177 Ų | 177 | 108.6 Ų | 108.6 | 87% | 0.872 | 69% | 0.691 | S | S | * | * | trans | -148.9 | 125.6 | 154.4 | -89.2 | -57 | -71.3 | 0 | 0 | 107.9 | ||||
| 1409 | P | 27.6 | Very low | 30.1 | Very low | 105 Ų | 105 | 109.3 Ų | 109.3 | 68% | 0.682 | 69% | 0.687 | S | S | * | * | trans | -77 | 149.6 | -175.2 | 30.2 | -34.6 | 0 | 0 | 0 | 112.6 | S1411 | P1409-S1411 PolarHBondContact O-N 3.43Š| ||
| 1410 | S | 23.6 | Very low | 30.3 | Very low | 132 Ų | 132 | 110 Ų | 110 | 92% | 0.923 | 69% | 0.692 | S | S | * | * | trans | -79.9 | 84.8 | -177 | 56.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1411 | S | 24.9 | Very low | 30.5 | Very low | 110 Ų | 110 | 113.2 Ų | 113.2 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | trans | -142.9 | 74.5 | 176.9 | -163.1 | 0 | 0 | 0 | 0 | 114.2 | P1409 | P1409-S1411 PolarHBondContact O-N 3.43Š| ||
| 1412 | S | 26.6 | Very low | 31.3 | Very low | 103 Ų | 103 | 113.9 Ų | 113.9 | 72% | 0.72 | 70% | 0.696 | S | S | * | * | trans | -171.4 | 123.6 | 152.8 | 33.5 | 0 | 0 | 0 | 0 | 110.2 | A1414 | S1412-A1414 PolarHBondContact O-N 2.96Š| ||
| 1413 | K | 27.5 | Very low | 32.4 | Very low | 229 Ų | 229 | 113.8 Ų | 113.8 | 100% | 0.996 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -88.7 | 52 | 172.8 | -78.5 | -170.8 | 174.1 | -176.3 | 0 | 111.4 | ||
| 1414 | A | 28.8 | Very low | 33.6 | Very low | 77 Ų | 77 | 111.2 Ų | 111.2 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | trans | -157.2 | 80.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108 | S1412 | S1412-A1414 PolarHBondContact O-N 2.96Š| ||
| 1415 | K | 27.3 | Very low | 35.5 | Very low | 196 Ų | 196 | 105.3 Ų | 105.3 | 85% | 0.852 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 124.5 | 165.6 | -81.4 | -169.7 | 171.9 | -171.1 | 0 | 106.9 | V1417 | K1415-V1417 PolarHBondContact O-N 3.24Š|
| 1416 | P | 31 | Very low | 38.2 | Very low | 72 Ų | 72 | 101.6 Ų | 101.6 | 47% | 0.468 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -63 | 137.5 | 179.4 | 26.4 | -34 | 0 | 0 | 0 | 110 | L1418 | P1416-L1418 PolarHBondContact O-N 3.46Š|
| 1417 | V | 39.5 | Very low | 40.9 | Very low | 52 Ų | 52 | 98.3 Ų | 98.3 | 32% | 0.315 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.8 | 118.2 | 177.1 | 176.9 | 0 | 0 | 0 | 0 | 108.4 | A503 K1415 | A503-V1417 HydrophobicContact CB-CG1 4.33Å; K1415-V1417 PolarHBondContact O-N 3.24Å |
| 1418 | L | 42.3 | Very low | 43.6 | Very low | 37 Ų | 37 | 90.7 Ų | 90.7 | 19% | 0.194 | 52% | 0.519 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 79.6 | 172.6 | -55 | -178.2 | 0 | 0 | 0 | 115.6 | A450 T453 P1416 E1422 | A450-L1418 HydrophobicContact CB-CD2 4.47Å; T453-L1418 HydrophobicContact CG2-CD1 3.63Å; P1416-L1418 PolarHBondContact O-N 3.46Å; L1418-E1422 HydrophobicContact CD2-CB 4.33Å; L1418-E1422 VanDerWaalsContact CD2-OE2 3.22Å; L1418-E1422 WeakPolarHBondContact CD2-OE2 3.37Å |
| 1419 | S | 41.3 | Very low | 46.7 | Very low | 72 Ų | 72 | 82.2 Ų | 82.2 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | trans | -59.3 | 151.1 | 160.2 | 79.4 | 0 | 0 | 0 | 0 | 111 | L1421 E1422 | S1419-L1421 PolarHBondContact O-N 3.1Å; S1419-E1422 PolarHBondContact O-N 3.06Å | ||
| 1420 | S | 43.3 | Very low | 49.4 | Very low | 100 Ų | 100 | 77.3 Ų | 77.3 | 70% | 0.699 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -42.4 | -30.8 | -178.7 | -178.8 | 0 | 0 | 0 | 0 | 115.4 | E1422 R1423 | S1420-E1422 VanDerWaalsContact C-N 3.29Å; S1420-E1422 PolarHBondContact O-N 3.21Å; S1420-R1423 WeakPolarHBondContact O-CB 3.37Å; S1420-R1423 PolarHBondContact O-N 3.15Å; S1420-R1423 VanDerWaalsContact O-N 3.14Å |
| 1421 | L | 38.4 | Very low | 52.3 | Low | 153 Ų | 153 | 72.9 Ų | 72.9 | 80% | 0.801 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -64.2 | -25.2 | -177.9 | -157.8 | 67.8 | 0 | 0 | 0 | 114.7 | S1419 | S1419-L1421 PolarHBondContact O-N 3.1Š|
| 1422 | E | 49.2 | Very low | 55.3 | Low | 95 Ų | 95 | 67.6 Ų | 67.6 | 44% | 0.444 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -83.2 | -13 | 177.1 | -66.9 | -166 | 171.2 | 0 | 0 | 113.2 | L1418 S1419 S1420 S1424 | L1418-E1422 HydrophobicContact CD2-CB 4.33Å; L1418-E1422 VanDerWaalsContact CD2-OE2 3.22Å; L1418-E1422 WeakPolarHBondContact CD2-OE2 3.37Å; S1419-E1422 PolarHBondContact O-N 3.06Å; S1420-E1422 VanDerWaalsContact C-N 3.29Å; S1420-E1422 PolarHBondContact O-N 3.21Å; E1422-S1424 PolarHBondContact O-N 2.89Å |
| 1423 | R | 50.5 | Low | 58.3 | Low | 73 Ų | 73 | 62.7 Ų | 62.7 | 28% | 0.275 | 34% | 0.342 | S | S | . | . | trans | -74.9 | 29.4 | 165.8 | -67.1 | -176.5 | 167.6 | 131.5 | -0.4 | 113.1 | E510 Q1354 S1420 G1425 | E510-R1423 IonicContact OE1-CZ 3.3Å; E510-R1423 VanDerWaalsContact OE1-CZ 3.27Å; E510-R1423 IonicContact OE1-NH1 2.72Å; E510-R1423 PolarHBondContact OE1-NH1 2.97Å; E510-R1423 IonicContact OE1-NH2 2.71Å; E510-R1423 PolarHBondContact OE1-NH2 3.3Å; E510-R1423 IonicContact OE2-CZ 3.05Å; E510-R1423 IonicContact OE2-NH1 3.71Å; E510-R1423 IonicContact OE2-NH2 3.7Å; E510-R1423 PolarHBondContact OE2-NH2 3.36Å; Q1354-R1423 VanDerWaalsContact OE1-CZ 3.26Å; Q1354-R1423 VanDerWaalsContact OE1-NH2 3.1Å; S1420-R1423 WeakPolarHBondContact O-CB 3.37Å; S1420-R1423 PolarHBondContact O-N 3.15Å; S1420-R1423 VanDerWaalsContact O-N 3.14Å; R1423-G1425 PolarHBondContact O-N 2.89Å; R1423-G1425 VanDerWaalsContact O-N 3.17Å | ||
| 1424 | S | 55 | Low | 61.1 | Low | 52 Ų | 52 | 54.1 Ų | 54.1 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | trans | -56.9 | 120.5 | 174.3 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | E1422 V1426 W1427 | E1422-S1424 PolarHBondContact O-N 2.89Å; S1424-V1426 PolarHBondContact O-N 3.35Å; S1424-V1426 WeakPolarHBondContact OG-CG2 3.44Å; S1424-W1427 PolarHBondContact O-N 3.25Å | ||
| 1425 | G | 67.5 | Low | 63.7 | Low | 12 Ų | 12 | 54.2 Ų | 54.2 | 12% | 0.124 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -52.6 | -21.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1352 R1423 W1427 L1428 V1429 | L1352-G1425 WeakPolarHBondContact O-CA 3.38Å; R1423-G1425 PolarHBondContact O-N 2.89Å; R1423-G1425 VanDerWaalsContact O-N 3.17Å; G1425-W1427 VanDerWaalsContact C-N 3.31Å; G1425-W1427 PolarHBondContact O-N 3.08Å; G1425-L1428 CarbonylContact O-C 3.45Å; G1425-L1428 WeakPolarHBondContact O-CA 3.48Å; G1425-L1428 WeakPolarHBondContact O-CB 3.46Å; G1425-L1428 PolarHBondContact O-N 2.9Å; G1425-V1429 WeakPolarHBondContact O-CG2 3.43Å; G1425-V1429 PolarHBondContact O-N 2.88Å |
| 1426 | V | 80.9 | Confident | 66.6 | Low | 14 Ų | 14 | 45.2 Ų | 45.2 | 9% | 0.085 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -51.9 | -42.1 | 170.1 | -175.2 | 0 | 0 | 0 | 0 | 112.9 | V1390 F1391 S1424 L1428 V1429 P1481 | V1390-V1426 HydrophobicContact CG1-CG2 4.21Å; F1391-V1426 HydrophobicContact CD1-CG1 3.57Å; F1391-V1426 HydrophobicContact CE1-CG1 3.21Å; F1391-V1426 HydrophobicContact CG-CG1 4.36Å; F1391-V1426 HydrophobicContact CZ-CG1 3.75Å; F1391-V1426 WeakPolarHBondContact CZ-O 3.39Å; S1424-V1426 PolarHBondContact O-N 3.35Å; S1424-V1426 WeakPolarHBondContact OG-CG2 3.44Å; V1426-L1428 VanDerWaalsContact C-N 3.28Å; V1426-L1428 PolarHBondContact O-N 3.3Å; V1426-V1429 PolarHBondContact O-N 3.49Å; V1426-P1481 HydrophobicContact CG1-CB 4.18Å; V1426-P1481 HydrophobicContact CG1-CG 3.93Å |
| 1427 | W | 80.6 | Confident | 69.1 | Low | 37 Ų | 37 | 44.4 Ų | 44.4 | 14% | 0.14 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.2 | -27.1 | 175 | -82 | 100.9 | 0 | 0 | 0 | 112.6 | I454 S1424 G1425 P1431 Q1480 P1481 | I454-W1427 HydrophobicContact CD1-CB 3.9Å; I454-W1427 HydrophobicContact CD1-CD2 4.34Å; I454-W1427 HydrophobicContact CD1-CG 4.01Å; S1424-W1427 PolarHBondContact O-N 3.25Å; G1425-W1427 VanDerWaalsContact C-N 3.31Å; G1425-W1427 PolarHBondContact O-N 3.08Å; W1427-P1431 WeakPolarHBondContact O-CD 3.4Å; W1427-Q1480 HydrophobicContact CH2-CB 3.84Å; W1427-Q1480 HydrophobicContact CZ2-CB 4.07Å; W1427-P1481 HydrophobicContact CD2-CB 3.78Å; W1427-P1481 HydrophobicContact CD2-CG 4.25Å; W1427-P1481 HydrophobicContact CE3-CB 4.04Å; W1427-P1481 HydrophobicContact CG-CB 4.07Å; W1427-P1481 HydrophobicContact CG-CG 4.47Å; W1427-P1481 HydrophobicContact CZ2-CG 4.46Å |
| 1428 | L | 85 | Confident | 71.3 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -81.8 | -20.1 | 179.7 | -52.5 | -179.8 | 0 | 0 | 0 | 112.5 | I454 L458 L1352 D1353 M1357 G1425 V1426 A1430 P1431 L1432 | I454-L1428 HydrophobicContact CG2-CD2 4Å; L458-L1428 HydrophobicContact CD1-CD2 3.85Å; L458-L1428 HydrophobicContact CD2-CD2 4.15Å; L458-L1428 HydrophobicContact CG-CD2 4.35Å; L1352-L1428 HydrophobicContact CB-CB 4.29Å; L1352-L1428 HydrophobicContact CB-CD1 4.33Å; L1352-L1428 HydrophobicContact CD1-CB 4.49Å; D1353-L1428 VanDerWaalsContact CA-CD1 3.43Å; M1357-L1428 HydrophobicContact CG-CB 4.29Å; M1357-L1428 HydrophobicContact CG-CD1 4.26Å; M1357-L1428 HydrophobicContact SD-CB 3.96Å; G1425-L1428 CarbonylContact O-C 3.45Å; G1425-L1428 WeakPolarHBondContact O-CA 3.48Å; G1425-L1428 WeakPolarHBondContact O-CB 3.46Å; G1425-L1428 PolarHBondContact O-N 2.9Å; V1426-L1428 VanDerWaalsContact C-N 3.28Å; V1426-L1428 PolarHBondContact O-N 3.3Å; L1428-A1430 VanDerWaalsContact C-N 3.33Å; L1428-A1430 PolarHBondContact O-N 3Å; L1428-P1431 WeakPolarHBondContact O-CD 3.38Å; L1428-L1432 VanDerWaalsContact O-CB 3.32Å; L1428-L1432 WeakPolarHBondContact O-CB 3.45Å; L1428-L1432 PolarHBondContact O-N 3.38Å |
| 1429 | V | 89.1 | Confident | 73.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 176.3 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | L1349 L1352 T1387 V1390 F1391 G1425 V1426 L1432 I1433 L1485 | L1349-V1429 HydrophobicContact CD2-CG1 4.44Å; L1352-V1429 HydrophobicContact CD1-CG2 3.84Å; T1387-V1429 HydrophobicContact CG2-CG1 3.87Å; V1390-V1429 HydrophobicContact CG1-CG2 4.49Å; F1391-V1429 HydrophobicContact CE2-CB 4.07Å; F1391-V1429 HydrophobicContact CE2-CG1 3.99Å; F1391-V1429 HydrophobicContact CE2-CG2 4.46Å; F1391-V1429 HydrophobicContact CZ-CB 4.3Å; G1425-V1429 WeakPolarHBondContact O-CG2 3.43Å; G1425-V1429 PolarHBondContact O-N 2.88Å; V1426-V1429 PolarHBondContact O-N 3.49Å; V1429-L1432 PolarHBondContact O-N 3.42Å; V1429-I1433 HydrophobicContact CG1-CG1 4.04Å; V1429-I1433 WeakPolarHBondContact O-CB 3.49Å; V1429-I1433 VanDerWaalsContact O-CG1 3.28Å; V1429-I1433 WeakPolarHBondContact O-CG1 3.46Å; V1429-I1433 PolarHBondContact O-N 2.88Å; V1429-L1485 HydrophobicContact CG1-CD1 4.37Å |
| 1430 | A | 85.2 | Confident | 75.7 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.4 | -50 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1428 L1432 I1433 A1434 L1485 | L1428-A1430 VanDerWaalsContact C-N 3.33Å; L1428-A1430 PolarHBondContact O-N 3Å; A1430-L1432 VanDerWaalsContact C-N 3.3Å; A1430-L1432 PolarHBondContact O-N 3.43Å; A1430-I1433 PolarHBondContact O-N 2.89Å; A1430-A1434 PolarHBondContact O-N 3.03Å; A1430-L1485 HydrophobicContact CB-CB 4.2Å; A1430-L1485 HydrophobicContact CB-CD1 4.36Å |
| 1431 | P | 83.7 | Confident | 77.9 | Confident | 39 Ų | 39 | 39.4 Ų | 39.4 | 25% | 0.253 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -54.8 | -37.5 | 167.7 | -28.7 | 35.6 | 0 | 0 | 0 | 114.7 | L458 M1357 W1427 L1428 A1434 K1435 | L458-P1431 HydrophobicContact CD1-CB 3.81Å; L458-P1431 HydrophobicContact CD1-CG 3.76Å; M1357-P1431 HydrophobicContact CE-CB 3.94Å; W1427-P1431 WeakPolarHBondContact O-CD 3.4Å; L1428-P1431 WeakPolarHBondContact O-CD 3.38Å; P1431-A1434 WeakPolarHBondContact O-CB 3.22Å; P1431-A1434 PolarHBondContact O-N 3.35Å; P1431-K1435 PolarHBondContact O-N 2.99Å |
| 1432 | L | 88.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.3 | -51.6 | 177.8 | -178.4 | 66.9 | 0 | 0 | 0 | 111.6 | L1349 L1352 M1357 S1361 L1364 L1428 V1429 A1430 A1434 K1435 L1436 | L1349-L1432 HydrophobicContact CD2-CD2 3.61Å; L1352-L1432 HydrophobicContact CD1-CD2 3.75Å; L1352-L1432 HydrophobicContact CD2-CD2 4Å; L1352-L1432 HydrophobicContact CG-CD2 4.43Å; M1357-L1432 HydrophobicContact CE-CB 4.23Å; M1357-L1432 HydrophobicContact SD-CB 3.93Å; M1357-L1432 HydrophobicContact SD-CD1 4.21Å; S1361-L1432 VanDerWaalsContact CA-CD1 3.48Å; L1364-L1432 HydrophobicContact CD1-CD2 3.83Å; L1364-L1432 HydrophobicContact CD1-CG 4.31Å; L1428-L1432 VanDerWaalsContact O-CB 3.32Å; L1428-L1432 WeakPolarHBondContact O-CB 3.45Å; L1428-L1432 PolarHBondContact O-N 3.38Å; V1429-L1432 PolarHBondContact O-N 3.42Å; A1430-L1432 VanDerWaalsContact C-N 3.3Å; A1430-L1432 PolarHBondContact O-N 3.43Å; L1432-A1434 PolarHBondContact O-N 3.31Å; L1432-K1435 PolarHBondContact O-N 2.92Å; L1432-L1436 PolarHBondContact O-N 3.18Å |
| 1433 | I | 90.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.6 | -27.5 | 178.5 | -63.5 | -60.5 | 0 | 0 | 0 | 111.3 | I1383 V1429 A1430 K1435 L1436 V1440 Q1441 V1444 L1485 | I1383-I1433 HydrophobicContact CG2-CD1 4.44Å; V1429-I1433 HydrophobicContact CG1-CG1 4.04Å; V1429-I1433 WeakPolarHBondContact O-CB 3.49Å; V1429-I1433 VanDerWaalsContact O-CG1 3.28Å; V1429-I1433 WeakPolarHBondContact O-CG1 3.46Å; V1429-I1433 PolarHBondContact O-N 2.88Å; A1430-I1433 PolarHBondContact O-N 2.89Å; I1433-K1435 VanDerWaalsContact C-N 3.27Å; I1433-K1435 PolarHBondContact O-N 2.71Å; I1433-L1436 HydrophobicContact CD1-CD1 3.78Å; I1433-L1436 PolarHBondContact O-N 3.45Å; I1433-V1440 HydrophobicContact CD1-CG1 4.34Å; I1433-Q1441 HydrophobicContact CG2-CG 3.96Å; I1433-Q1441 PolarHBondContact O-NE2 3.42Å; I1433-V1444 HydrophobicContact CD1-CG2 4.43Å; I1433-V1444 HydrophobicContact CG2-CG2 4.23Å; I1433-L1485 HydrophobicContact CB-CD1 4.06Å; I1433-L1485 HydrophobicContact CG1-CD1 3.98Å; I1433-L1485 HydrophobicContact CG2-CD1 4.26Å |
| 1434 | A | 85 | Confident | 84.1 | Confident | 48 Ų | 48 | 26.8 Ų | 26.8 | 40% | 0.397 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.5 | -31.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1430 P1431 L1432 Q1441 T1488 | A1430-A1434 PolarHBondContact O-N 3.03Å; P1431-A1434 WeakPolarHBondContact O-CB 3.22Å; P1431-A1434 PolarHBondContact O-N 3.35Å; L1432-A1434 PolarHBondContact O-N 3.31Å; A1434-Q1441 PolarHBondContact O-NE2 2.95Å; A1434-T1488 HydrophobicContact CB-CG2 3.64Å |
| 1435 | K | 83.9 | Confident | 85.6 | Confident | 80 Ų | 80 | 24.6 Ų | 24.6 | 35% | 0.348 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -0.1 | 179.2 | -62.1 | -171.6 | -176.5 | -166.5 | 0 | 114 | E462 Q1365 P1431 L1432 I1433 | E462-K1435 IonicContact OE1-NZ 2.77Å; E462-K1435 PolarHBondContact OE1-NZ 3.39Å; E462-K1435 IonicContact OE2-NZ 3.44Å; E462-K1435 PolarHBondContact OE2-NZ 2.94Å; Q1365-K1435 PolarHBondContact NE2-O 3.03Å; P1431-K1435 PolarHBondContact O-N 2.99Å; L1432-K1435 PolarHBondContact O-N 2.92Å; I1433-K1435 VanDerWaalsContact C-N 3.27Å; I1433-K1435 PolarHBondContact O-N 2.71Å |
| 1436 | L | 87.5 | Confident | 86.6 | Confident | 7 Ų | 7 | 28.1 Ų | 28.1 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -92.3 | 159.1 | 173.2 | -60.9 | -173.1 | 0 | 0 | 0 | 111.4 | L1364 Q1365 I1368 L1432 I1433 V1440 Q1441 | L1364-L1436 HydrophobicContact CB-CD1 4.22Å; L1364-L1436 HydrophobicContact CB-CD2 3.93Å; L1364-L1436 HydrophobicContact CD1-CD1 3.98Å; Q1365-L1436 HydrophobicContact CG-CD2 3.77Å; I1368-L1436 HydrophobicContact CD1-CD1 4.49Å; I1368-L1436 HydrophobicContact CD1-CD2 4.47Å; L1432-L1436 PolarHBondContact O-N 3.18Å; I1433-L1436 HydrophobicContact CD1-CD1 3.78Å; I1433-L1436 PolarHBondContact O-N 3.45Å; L1436-V1440 HydrophobicContact CB-CB 4.17Å; L1436-V1440 HydrophobicContact CB-CG1 4.43Å; L1436-V1440 HydrophobicContact CB-CG2 4.05Å; L1436-V1440 HydrophobicContact CD1-CG1 4.02Å; L1436-V1440 HydrophobicContact CD1-CG2 4.44Å; L1436-Q1441 PolarHBondContact O-NE2 2.88Å |
| 1437 | P | 85.5 | Confident | 86.9 | Confident | 55 Ų | 55 | 28 Ų | 28 | 36% | 0.357 | 16% | 0.159 | S | C | . | . | trans | -52.8 | 145.3 | 176.4 | -28.2 | 36.5 | 0 | 0 | 0 | 113 | I1368 S1439 V1440 | I1368-P1437 HydrophobicContact CG2-CG 4.43Å; P1437-S1439 PolarHBondContact O-N 3.48Å; P1437-V1440 WeakPolarHBondContact O-CB 3.25Å; P1437-V1440 PolarHBondContact O-N 3.26Å | ||
| 1438 | T | 85 | Confident | 87.1 | Confident | 88 Ų | 88 | 26.2 Ų | 26.2 | 54% | 0.54 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -58.3 | -23.6 | -178.1 | 51.3 | 0 | 0 | 0 | 0 | 113.4 | V1440 Q1441 G1442 Q1493 | T1438-V1440 VanDerWaalsContact C-N 3.29Å; T1438-V1440 PolarHBondContact O-N 2.93Å; T1438-Q1441 PolarHBondContact O-N 3.37Å; T1438-G1442 PolarHBondContact O-N 2.88Å; T1438-Q1493 PolarHBondContact O-NE2 3.04Å |
| 1439 | S | 86.4 | Confident | 86.9 | Confident | 53 Ų | 53 | 26.4 Ų | 26.4 | 37% | 0.371 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -60.7 | -33.9 | 170.8 | 53.1 | 0 | 0 | 0 | 0 | 113.4 | P1437 H1443 | P1437-S1439 PolarHBondContact O-N 3.48Å; S1439-H1443 PolarHBondContact O-N 2.63Å; S1439-H1443 PolarHBondContact O-ND1 2.82Å |
| 1440 | V | 89.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.9 | -48.4 | 172.7 | -175.3 | 0 | 0 | 0 | 0 | 110 | I1368 L1380 I1383 I1433 L1436 P1437 T1438 G1442 H1443 V1444 | I1368-V1440 HydrophobicContact CD1-CG2 3.58Å; L1380-V1440 HydrophobicContact CD2-CB 4.27Å; L1380-V1440 HydrophobicContact CD2-CG2 3.48Å; L1380-V1440 VanDerWaalsContact CD2-CG2 3.48Å; I1383-V1440 HydrophobicContact CG2-CG1 3.76Å; I1433-V1440 HydrophobicContact CD1-CG1 4.34Å; L1436-V1440 HydrophobicContact CB-CB 4.17Å; L1436-V1440 HydrophobicContact CB-CG1 4.43Å; L1436-V1440 HydrophobicContact CB-CG2 4.05Å; L1436-V1440 HydrophobicContact CD1-CG1 4.02Å; L1436-V1440 HydrophobicContact CD1-CG2 4.44Å; P1437-V1440 WeakPolarHBondContact O-CB 3.25Å; P1437-V1440 PolarHBondContact O-N 3.26Å; T1438-V1440 VanDerWaalsContact C-N 3.29Å; T1438-V1440 PolarHBondContact O-N 2.93Å; V1440-G1442 VanDerWaalsContact C-N 3.27Å; V1440-G1442 PolarHBondContact O-N 3.47Å; V1440-H1443 PolarHBondContact O-N 2.95Å; V1440-V1444 HydrophobicContact CG1-CG2 4.13Å; V1440-V1444 WeakPolarHBondContact O-CG2 3.36Å; V1440-V1444 PolarHBondContact O-N 3.43Å |
| 1441 | Q | 89.5 | Confident | 86.2 | Confident | 14 Ų | 14 | 31.8 Ų | 31.8 | 7% | 0.065 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.3 | -39.4 | -179.1 | -64.9 | 167.5 | 2.4 | 0 | 0 | 111.7 | I1433 A1434 L1436 T1438 L1445 C1489 | I1433-Q1441 HydrophobicContact CG2-CG 3.96Å; I1433-Q1441 PolarHBondContact O-NE2 3.42Å; A1434-Q1441 PolarHBondContact O-NE2 2.95Å; L1436-Q1441 PolarHBondContact O-NE2 2.88Å; T1438-Q1441 PolarHBondContact O-N 3.37Å; Q1441-L1445 WeakPolarHBondContact O-CB 3.23Å; Q1441-L1445 PolarHBondContact O-N 3.05Å; Q1441-C1489 HydrophobicContact CB-CB 4.12Å |
| 1442 | G | 87.7 | Confident | 85.7 | Confident | 6 Ų | 6 | 30.4 Ų | 30.4 | 6% | 0.062 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.1 | -39.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1438 V1440 L1445 K1446 | T1438-G1442 PolarHBondContact O-N 2.88Å; V1440-G1442 VanDerWaalsContact C-N 3.27Å; V1440-G1442 PolarHBondContact O-N 3.47Å; G1442-L1445 WeakPolarHBondContact O-CB 3.31Å; G1442-L1445 PolarHBondContact O-N 3.13Å; G1442-K1446 PolarHBondContact O-N 2.94Å |
| 1443 | H | 90.2 | Very high | 84.8 | Confident | 49 Ų | 49 | 34 Ų | 34 | 23% | 0.227 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72 | -38.9 | 175.7 | -77.5 | 80.5 | 0 | 0 | 0 | 112.5 | L1380 A1384 S1439 V1440 L1445 K1446 A1447 | L1380-H1443 HydrophobicContact CB-CB 4.24Å; A1384-H1443 HydrophobicContact CB-CB 4.03Å; A1384-H1443 WeakPolarHBondContact CB-O 3.32Å; S1439-H1443 PolarHBondContact O-N 2.63Å; S1439-H1443 PolarHBondContact O-ND1 2.82Å; V1440-H1443 PolarHBondContact O-N 2.95Å; H1443-L1445 VanDerWaalsContact C-N 3.31Å; H1443-L1445 PolarHBondContact O-N 2.92Å; H1443-K1446 PolarHBondContact O-N 2.7Å; H1443-A1447 PolarHBondContact O-N 3.11Å |
| 1444 | V | 90.5 | Very high | 83.8 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.4 | -42.7 | 172.4 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | A1384 T1387 I1433 V1440 A1447 A1448 L1485 | A1384-V1444 HydrophobicContact CB-CG2 4.15Å; T1387-V1444 HydrophobicContact CG2-CG1 4.15Å; I1433-V1444 HydrophobicContact CD1-CG2 4.43Å; I1433-V1444 HydrophobicContact CG2-CG2 4.23Å; V1440-V1444 HydrophobicContact CG1-CG2 4.13Å; V1440-V1444 WeakPolarHBondContact O-CG2 3.36Å; V1440-V1444 PolarHBondContact O-N 3.43Å; V1444-A1447 PolarHBondContact O-N 3.41Å; V1444-A1448 WeakPolarHBondContact O-CB 3.45Å; V1444-A1448 PolarHBondContact O-N 3.41Å; V1444-L1485 HydrophobicContact CG1-CD1 4.09Å; V1444-L1485 HydrophobicContact CG1-CD2 3.87Å; V1444-L1485 HydrophobicContact CG1-CG 4Å |
| 1445 | L | 86.9 | Confident | 82.4 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.3 | -45.8 | 173.1 | -105.5 | 165.3 | 0 | 0 | 0 | 113.1 | Q1441 G1442 H1443 A1448 G1449 V1486 C1489 L1490 Q1493 Q1496 L1500 | Q1441-L1445 WeakPolarHBondContact O-CB 3.23Å; Q1441-L1445 PolarHBondContact O-N 3.05Å; G1442-L1445 WeakPolarHBondContact O-CB 3.31Å; G1442-L1445 PolarHBondContact O-N 3.13Å; H1443-L1445 VanDerWaalsContact C-N 3.31Å; H1443-L1445 PolarHBondContact O-N 2.92Å; L1445-A1448 PolarHBondContact O-N 2.9Å; L1445-G1449 PolarHBondContact O-N 3.39Å; L1445-V1486 HydrophobicContact CD2-CG1 4.05Å; L1445-C1489 HydrophobicContact CD1-CB 3.89Å; L1445-C1489 VanDerWaalsContact CD1-O 3.31Å; L1445-C1489 WeakPolarHBondContact CD1-O 3.17Å; L1445-C1489 HydrophobicContact CG-CB 3.81Å; L1445-L1490 HydrophobicContact CD1-CD2 3.87Å; L1445-L1490 HydrophobicContact CD1-CG 4.14Å; L1445-L1490 HydrophobicContact CD2-CD2 3.81Å; L1445-L1490 HydrophobicContact CD2-CG 4.04Å; L1445-L1490 HydrophobicContact CG-CD2 4.49Å; L1445-Q1493 HydrophobicContact CD1-CB 3.8Å; L1445-Q1493 HydrophobicContact CD1-CG 3.93Å; L1445-Q1496 HydrophobicContact CB-CB 4.44Å; L1445-Q1496 HydrophobicContact CD1-CB 4.42Å; L1445-L1500 HydrophobicContact CD2-CD2 3.75Å |
| 1446 | K | 86.7 | Confident | 80.6 | Confident | 86 Ų | 86 | 36.9 Ų | 36.9 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.4 | -46.8 | 177 | -179.4 | 175.8 | 176.8 | -69.4 | 0 | 111.3 | G1442 H1443 G1449 E1450 | G1442-K1446 PolarHBondContact O-N 2.94Å; H1443-K1446 PolarHBondContact O-N 2.7Å; K1446-G1449 PolarHBondContact O-N 3.43Å; K1446-E1450 WeakPolarHBondContact CE-OE1 3.46Å; K1446-E1450 IonicContact NZ-OE1 2.7Å; K1446-E1450 PolarHBondContact NZ-OE1 2.98Å; K1446-E1450 WeakPolarHBondContact O-CG 3.42Å; K1446-E1450 PolarHBondContact O-N 2.87Å |
| 1447 | A | 88.2 | Confident | 78.4 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.2 | -38.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1384 I1388 H1443 V1444 E1450 E1451 | A1384-A1447 HydrophobicContact CB-CB 3.87Å; I1388-A1447 HydrophobicContact CG1-CB 3.9Å; H1443-A1447 PolarHBondContact O-N 3.11Å; V1444-A1447 PolarHBondContact O-N 3.41Å; A1447-E1450 PolarHBondContact O-N 2.81Å; A1447-E1451 PolarHBondContact O-N 3.28Å |
| 1448 | A | 85.4 | Confident | 76 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.5 | -41.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1388 V1444 L1445 E1451 L1452 F1482 V1486 | I1388-A1448 HydrophobicContact CD1-CB 3.94Å; V1444-A1448 WeakPolarHBondContact O-CB 3.45Å; V1444-A1448 PolarHBondContact O-N 3.41Å; L1445-A1448 PolarHBondContact O-N 2.9Å; A1448-E1451 PolarHBondContact O-N 3.34Å; A1448-L1452 VanDerWaalsContact O-CG 3.23Å; A1448-L1452 WeakPolarHBondContact O-CG 3.36Å; A1448-L1452 PolarHBondContact O-N 3.47Å; A1448-F1482 HydrophobicContact CB-CZ 4.16Å; A1448-V1486 HydrophobicContact CB-CG2 4Å |
| 1449 | G | 79 | Confident | 73.4 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60 | -49.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1445 K1446 E1451 L1452 E1453 | L1445-G1449 PolarHBondContact O-N 3.39Å; K1446-G1449 PolarHBondContact O-N 3.43Å; G1449-E1451 VanDerWaalsContact C-N 3.29Å; G1449-E1451 PolarHBondContact O-N 3.41Å; G1449-L1452 WeakPolarHBondContact O-CB 3.36Å; G1449-L1452 PolarHBondContact O-N 3.28Å; G1449-L1452 VanDerWaalsContact O-N 3.13Å; G1449-E1453 PolarHBondContact O-N 2.86Å |
| 1450 | E | 82.5 | Confident | 70.8 | Confident | 74 Ų | 74 | 46.4 Ų | 46.4 | 35% | 0.346 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.5 | -38.5 | 175.6 | -73.9 | 172.4 | -162 | 0 | 0 | 112.4 | K1446 A1447 E1453 K1454 | K1446-E1450 WeakPolarHBondContact CE-OE1 3.46Å; K1446-E1450 IonicContact NZ-OE1 2.7Å; K1446-E1450 PolarHBondContact NZ-OE1 2.98Å; K1446-E1450 WeakPolarHBondContact O-CG 3.42Å; K1446-E1450 PolarHBondContact O-N 2.87Å; A1447-E1450 PolarHBondContact O-N 2.81Å; E1450-E1453 PolarHBondContact O-N 3.2Å; E1450-K1454 WeakPolarHBondContact O-CG 3.23Å; E1450-K1454 PolarHBondContact O-N 3.13Å |
| 1451 | E | 78.3 | Confident | 68 | Low | 39 Ų | 39 | 50.7 Ų | 50.7 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70 | -32.7 | 177.1 | -149 | 63.3 | -142.3 | 0 | 0 | 112.8 | I1388 Q1392 A1447 A1448 G1449 K1454 L1476 | I1388-E1451 HydrophobicContact CG2-CB 4.28Å; I1388-E1451 HydrophobicContact CG2-CG 4Å; Q1392-E1451 PolarHBondContact NE2-OE1 2.83Å; Q1392-E1451 VanDerWaalsContact NE2-OE1 3.1Å; A1447-E1451 PolarHBondContact O-N 3.28Å; A1448-E1451 PolarHBondContact O-N 3.34Å; G1449-E1451 VanDerWaalsContact C-N 3.29Å; G1449-E1451 PolarHBondContact O-N 3.41Å; E1451-K1454 WeakPolarHBondContact OE1-CD 3.34Å; E1451-K1454 IonicContact OE1-NZ 2.7Å; E1451-K1454 IonicContact OE2-NZ 3.71Å; E1451-K1454 PolarHBondContact OE2-NZ 3.19Å; E1451-L1476 HydrophobicContact CG-CD1 4.07Å |
| 1452 | L | 73.2 | Confident | 65.7 | Low | 10 Ų | 10 | 54 Ų | 54 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.8 | -32.5 | 172.8 | -66.8 | 165.2 | 0 | 0 | 0 | 112.1 | A1448 G1449 L1477 L1500 | A1448-L1452 VanDerWaalsContact O-CG 3.23Å; A1448-L1452 WeakPolarHBondContact O-CG 3.36Å; A1448-L1452 PolarHBondContact O-N 3.47Å; G1449-L1452 WeakPolarHBondContact O-CB 3.36Å; G1449-L1452 PolarHBondContact O-N 3.28Å; G1449-L1452 VanDerWaalsContact O-N 3.13Å; L1452-L1477 HydrophobicContact CD2-CD1 3.7Å; L1452-L1477 HydrophobicContact CD2-CD2 3.69Å; L1452-L1477 HydrophobicContact CD2-CG 3.67Å; L1452-L1500 HydrophobicContact CD1-CD1 4.16Å |
| 1453 | E | 70.4 | Confident | 63.8 | Low | 75 Ų | 75 | 64.1 Ų | 64.1 | 35% | 0.35 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -75.7 | -28.8 | 177.7 | -72.2 | -167.6 | 165.3 | 0 | 0 | 114.3 | G1449 E1450 G1455 Q1456 S1503 | G1449-E1453 PolarHBondContact O-N 2.86Å; E1450-E1453 PolarHBondContact O-N 3.2Å; E1453-G1455 PolarHBondContact O-N 3.3Å; E1453-Q1456 WeakPolarHBondContact O-CB 3.37Å; E1453-Q1456 PolarHBondContact O-N 3.38Å; E1453-S1503 VanDerWaalsContact CD-OG 3.28Å; E1453-S1503 WeakPolarHBondContact CG-OG 3.48Å; E1453-S1503 WeakPolarHBondContact OE1-CB 3.39Å; E1453-S1503 PolarHBondContact OE1-OG 2.92Å |
| 1454 | K | 67.5 | Low | 61.9 | Low | 113 Ų | 113 | 70.6 Ų | 70.6 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -21.6 | 175.9 | -74.9 | 168.1 | -166.9 | 172 | 0 | 113.3 | E1450 E1451 Q1456 | E1450-K1454 WeakPolarHBondContact O-CG 3.23Å; E1450-K1454 PolarHBondContact O-N 3.13Å; E1451-K1454 WeakPolarHBondContact OE1-CD 3.34Å; E1451-K1454 IonicContact OE1-NZ 2.7Å; E1451-K1454 IonicContact OE2-NZ 3.71Å; E1451-K1454 PolarHBondContact OE2-NZ 3.19Å; K1454-Q1456 VanDerWaalsContact C-N 3.31Å; K1454-Q1456 PolarHBondContact O-N 3.37Å |
| 1455 | G | 56.1 | Low | 59.9 | Low | 27 Ų | 27 | 75 Ų | 75 | 28% | 0.278 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -19.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | E1453 | E1453-G1455 PolarHBondContact O-N 3.3Š|
| 1456 | Q | 47.2 | Very low | 58.1 | Low | 50 Ų | 50 | 79.9 Ų | 79.9 | 23% | 0.234 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -38.5 | -177.4 | -57.6 | -160.3 | -84.9 | 0 | 0 | 113.6 | E1453 K1454 L1458 S1506 Q1507 | E1453-Q1456 WeakPolarHBondContact O-CB 3.37Å; E1453-Q1456 PolarHBondContact O-N 3.38Å; K1454-Q1456 VanDerWaalsContact C-N 3.31Å; K1454-Q1456 PolarHBondContact O-N 3.37Å; Q1456-L1458 PolarHBondContact O-N 3.13Å; Q1456-S1506 PolarHBondContact NE2-O 2.83Å; Q1456-S1506 PolarHBondContact NE2-OG 3.45Å; Q1456-S1506 PolarHBondContact OE1-OG 2.52Å; Q1456-Q1507 HydrophobicContact CG-CG 3.96Å |
| 1457 | H | 40.1 | Very low | 56.4 | Low | 146 Ų | 146 | 80.5 Ų | 80.5 | 68% | 0.676 | 43% | 0.426 | S | S | * | . | trans | -96.5 | 54.9 | -161.3 | -67.6 | -74.3 | 0 | 0 | 0 | 115 | ||||
| 1458 | L | 35.6 | Very low | 55 | Low | 55 Ų | 55 | 87.7 Ų | 87.7 | 29% | 0.288 | 45% | 0.451 | S | S | . | . | trans | -118.2 | 68.5 | 173.7 | -71 | 178.6 | 0 | 0 | 0 | 113.1 | Q1456 R1466 Q1469 | Q1456-L1458 PolarHBondContact O-N 3.13Å; L1458-R1466 HydrophobicContact CB-CG 4.38Å; L1458-R1466 HydrophobicContact CD1-CG 4.33Å; L1458-R1466 PolarHBondContact O-NE 3.5Å; L1458-R1466 VanDerWaalsContact O-NE 3.12Å; L1458-R1466 PolarHBondContact O-NH2 3.41Å; L1458-Q1469 HydrophobicContact CD1-CB 4.25Å; L1458-Q1469 HydrophobicContact CD1-CG 4.45Å | ||
| 1459 | G | 31.4 | Very low | 53.5 | Low | 68 Ų | 68 | 92 Ų | 92 | 70% | 0.701 | 47% | 0.471 | S | S | * | . | trans | -88.8 | 138.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1460 | S | 31 | Very low | 52.2 | Low | 134 Ų | 134 | 94.8 Ų | 94.8 | 94% | 0.937 | 48% | 0.48 | S | S | * | . | S | Bend | trans | 68.3 | 58.4 | 175.7 | -161.3 | 0 | 0 | 0 | 0 | 117.6 | ||
| 1461 | S | 30.7 | Very low | 51 | Low | 90 Ų | 90 | 98.2 Ų | 98.2 | 63% | 0.629 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -148.8 | 172.1 | 152.1 | -165.4 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1462 | S | 41 | Very low | 50.1 | Low | 82 Ų | 82 | 99.9 Ų | 99.9 | 57% | 0.573 | 50% | 0.503 | S | S | * | . | trans | -60.4 | 144.6 | -169.7 | -173.7 | 0 | 0 | 0 | 0 | 113.9 | K1464 E1465 R1466 | S1462-K1464 VanDerWaalsContact C-N 3.28Å; S1462-K1464 PolarHBondContact O-N 3.34Å; S1462-E1465 PolarHBondContact O-N 3.33Å; S1462-E1465 VanDerWaalsContact O-N 3.16Å; S1462-R1466 PolarHBondContact O-N 3.48Å | ||
| 1463 | R | 49 | Very low | 49.5 | Very low | 220 Ų | 220 | 100.5 Ų | 100.5 | 83% | 0.83 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.9 | -34.3 | -172 | -158.8 | 174.8 | -172.7 | 172.9 | 2.3 | 113.4 | ||
| 1464 | K | 50.4 | Low | 48.9 | Very low | 184 Ų | 184 | 99.9 Ų | 99.9 | 80% | 0.8 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.7 | -36.2 | 178.4 | -83.7 | -170.4 | 169.8 | -172.5 | 0 | 114 | S1462 | S1462-K1464 VanDerWaalsContact C-N 3.28Å; S1462-K1464 PolarHBondContact O-N 3.34Å |
| 1465 | E | 47.7 | Very low | 48.8 | Very low | 94 Ų | 94 | 95.8 Ų | 95.8 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -74.3 | -34.7 | -177.1 | -146.1 | 59.4 | -129.2 | 0 | 0 | 111.3 | S1462 D1467 R1468 Q1469 | S1462-E1465 PolarHBondContact O-N 3.33Å; S1462-E1465 VanDerWaalsContact O-N 3.16Å; E1465-D1467 VanDerWaalsContact C-N 3.3Å; E1465-D1467 PolarHBondContact O-N 3.48Å; E1465-R1468 PolarHBondContact O-N 3.21Å; E1465-Q1469 WeakPolarHBondContact O-CB 3.41Å; E1465-Q1469 PolarHBondContact O-N 3.43Å |
| 1466 | R | 48.4 | Very low | 49.4 | Very low | 108 Ų | 108 | 95 Ų | 95 | 41% | 0.408 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.8 | -40 | -178.8 | -156.9 | -177.7 | -157.5 | -144.1 | 6.4 | 112.9 | L1458 S1462 K1470 | L1458-R1466 HydrophobicContact CB-CG 4.38Å; L1458-R1466 HydrophobicContact CD1-CG 4.33Å; L1458-R1466 PolarHBondContact O-NE 3.5Å; L1458-R1466 VanDerWaalsContact O-NE 3.12Å; L1458-R1466 PolarHBondContact O-NH2 3.41Å; S1462-R1466 PolarHBondContact O-N 3.48Å; R1466-K1470 WeakPolarHBondContact O-CB 3.41Å; R1466-K1470 WeakPolarHBondContact O-CG 3.3Å; R1466-K1470 PolarHBondContact O-N 2.85Å; R1466-K1470 VanDerWaalsContact O-N 3.15Å |
| 1467 | D | 52.4 | Low | 50.1 | Low | 99 Ų | 99 | 92.7 Ų | 92.7 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -74.3 | -45.2 | -179.5 | -63.2 | -29.4 | 0 | 0 | 0 | 110.9 | E1465 Q1469 K1470 Q1471 | E1465-D1467 VanDerWaalsContact C-N 3.3Å; E1465-D1467 PolarHBondContact O-N 3.48Å; D1467-Q1469 PolarHBondContact O-N 3.3Å; D1467-K1470 PolarHBondContact O-N 2.98Å; D1467-Q1471 WeakPolarHBondContact O-CB 3.38Å; D1467-Q1471 PolarHBondContact O-N 3.38Å |
| 1468 | R | 57.4 | Low | 51.3 | Low | 162 Ų | 162 | 89.6 Ų | 89.6 | 61% | 0.611 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.8 | -44.4 | 177.6 | -163.9 | 179.8 | -172.4 | -167.9 | 1.7 | 112 | E1465 Q1471 K1472 | E1465-R1468 PolarHBondContact O-N 3.21Å; R1468-Q1471 PolarHBondContact O-N 2.94Å; R1468-K1472 PolarHBondContact O-N 2.92Å; R1468-K1472 VanDerWaalsContact O-N 3.16Å |
| 1469 | Q | 53.7 | Low | 53 | Low | 93 Ų | 93 | 88.5 Ų | 88.5 | 44% | 0.435 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -70.4 | -41.2 | -179.9 | -154 | 72.7 | -8.1 | 0 | 0 | 112.4 | L1458 E1465 D1467 Q1471 K1472 S1473 | L1458-Q1469 HydrophobicContact CD1-CB 4.25Å; L1458-Q1469 HydrophobicContact CD1-CG 4.45Å; E1465-Q1469 WeakPolarHBondContact O-CB 3.41Å; E1465-Q1469 PolarHBondContact O-N 3.43Å; D1467-Q1469 PolarHBondContact O-N 3.3Å; Q1469-Q1471 VanDerWaalsContact C-N 3.31Å; Q1469-Q1471 PolarHBondContact O-N 3.48Å; Q1469-K1472 PolarHBondContact O-N 3.24Å; Q1469-S1473 PolarHBondContact O-N 3.11Å |
| 1470 | K | 53.6 | Low | 54.9 | Low | 67 Ų | 67 | 89 Ų | 89 | 29% | 0.291 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -57.2 | -46.5 | 171.5 | -87.4 | -169.8 | 171.1 | -168.6 | 0 | 110.9 | R1466 D1467 K1472 S1473 M1474 | R1466-K1470 WeakPolarHBondContact O-CB 3.41Å; R1466-K1470 WeakPolarHBondContact O-CG 3.3Å; R1466-K1470 PolarHBondContact O-N 2.85Å; R1466-K1470 VanDerWaalsContact O-N 3.15Å; D1467-K1470 PolarHBondContact O-N 2.98Å; K1470-K1472 PolarHBondContact O-N 3.29Å; K1470-S1473 PolarHBondContact O-N 2.93Å; K1470-S1473 PolarHBondContact O-OG 3.32Å; K1470-M1474 VanDerWaalsContact O-CG 3.25Å; K1470-M1474 WeakPolarHBondContact O-CG 3.41Å; K1470-M1474 PolarHBondContact O-N 3.24Å; K1470-M1474 VanDerWaalsContact O-N 3.09Å |
| 1471 | Q | 57.2 | Low | 56.9 | Low | 146 Ų | 146 | 83.1 Ų | 83.1 | 68% | 0.682 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.6 | -36.4 | -175.9 | -163.1 | 162.4 | -14.3 | 0 | 0 | 112.7 | D1467 R1468 Q1469 M1474 S1475 | D1467-Q1471 WeakPolarHBondContact O-CB 3.38Å; D1467-Q1471 PolarHBondContact O-N 3.38Å; R1468-Q1471 PolarHBondContact O-N 2.94Å; Q1469-Q1471 VanDerWaalsContact C-N 3.31Å; Q1469-Q1471 PolarHBondContact O-N 3.48Å; Q1471-M1474 PolarHBondContact O-N 2.98Å; Q1471-S1475 WeakPolarHBondContact O-CB 3.37Å; Q1471-S1475 PolarHBondContact O-N 2.65Å |
| 1472 | K | 59 | Low | 59.4 | Low | 74 Ų | 74 | 79 Ų | 79 | 32% | 0.322 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.1 | -49.8 | 169.8 | -72.1 | -166.8 | 178.3 | -162.4 | 0 | 112.6 | E1396 R1468 Q1469 K1470 M1474 S1475 L1476 | E1396-K1472 VanDerWaalsContact CD-CE 3.48Å; E1396-K1472 WeakPolarHBondContact OE1-CE 3.29Å; E1396-K1472 IonicContact OE1-NZ 2.94Å; E1396-K1472 PolarHBondContact OE1-NZ 3.31Å; E1396-K1472 WeakPolarHBondContact OE2-CE 3.47Å; E1396-K1472 IonicContact OE2-NZ 3.73Å; E1396-K1472 PolarHBondContact OE2-NZ 3.49Å; R1468-K1472 PolarHBondContact O-N 2.92Å; R1468-K1472 VanDerWaalsContact O-N 3.16Å; Q1469-K1472 PolarHBondContact O-N 3.24Å; K1470-K1472 PolarHBondContact O-N 3.29Å; K1472-M1474 VanDerWaalsContact C-N 3.28Å; K1472-M1474 PolarHBondContact O-N 2.79Å; K1472-S1475 PolarHBondContact O-N 3.12Å; K1472-S1475 VanDerWaalsContact O-N 3.11Å; K1472-L1476 PolarHBondContact O-N 2.82Å |
| 1473 | S | 59.3 | Low | 61.1 | Low | 23 Ų | 23 | 75.6 Ų | 75.6 | 16% | 0.161 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.8 | -31.1 | -178.8 | 69.8 | 0 | 0 | 0 | 0 | 113.7 | Q1469 K1470 | Q1469-S1473 PolarHBondContact O-N 3.11Å; K1470-S1473 PolarHBondContact O-N 2.93Å; K1470-S1473 PolarHBondContact O-OG 3.32Å |
| 1474 | M | 59.1 | Low | 62.4 | Low | 62 Ų | 62 | 65.8 Ų | 65.8 | 31% | 0.305 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -73.7 | -38.6 | 173.7 | -61.8 | -86 | -73.8 | 0 | 0 | 111.3 | K1470 Q1471 K1472 L1477 S1478 L1529 A1533 | K1470-M1474 VanDerWaalsContact O-CG 3.25Å; K1470-M1474 WeakPolarHBondContact O-CG 3.41Å; K1470-M1474 PolarHBondContact O-N 3.24Å; K1470-M1474 VanDerWaalsContact O-N 3.09Å; Q1471-M1474 PolarHBondContact O-N 2.98Å; K1472-M1474 VanDerWaalsContact C-N 3.28Å; K1472-M1474 PolarHBondContact O-N 2.79Å; M1474-L1477 PolarHBondContact O-N 3.01Å; M1474-S1478 PolarHBondContact O-N 3.4Å; M1474-L1529 HydrophobicContact CE-CB 4.17Å; M1474-L1529 WeakPolarHBondContact CE-O 3.18Å; M1474-A1533 HydrophobicContact CE-CB 3.44Å; M1474-A1533 VanDerWaalsContact CE-CB 3.44Å; M1474-A1533 HydrophobicContact SD-CB 3.45Å; M1474-A1533 WeakPolarHBondContact SD-CB 3.19Å |
| 1475 | S | 65.9 | Low | 64.1 | Low | 27 Ų | 27 | 57 Ų | 57 | 19% | 0.189 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.5 | -40.9 | 180 | -177.3 | 0 | 0 | 0 | 0 | 112.7 | Q1471 K1472 L1477 S1478 Q1479 | Q1471-S1475 WeakPolarHBondContact O-CB 3.37Å; Q1471-S1475 PolarHBondContact O-N 2.65Å; K1472-S1475 PolarHBondContact O-N 3.12Å; K1472-S1475 VanDerWaalsContact O-N 3.11Å; S1475-L1477 VanDerWaalsContact C-N 3.35Å; S1475-L1477 PolarHBondContact O-N 2.67Å; S1475-S1478 WeakPolarHBondContact CA-OG 3.18Å; S1475-S1478 PolarHBondContact O-N 3.3Å; S1475-S1478 PolarHBondContact O-OG 3.07Å; S1475-Q1479 PolarHBondContact O-N 3.47Å |
| 1476 | L | 67.2 | Low | 65.8 | Low | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -53.8 | -49 | 172.7 | -85.7 | 171.1 | 0 | 0 | 0 | 112.3 | F1391 Q1392 E1451 K1472 S1478 Q1479 | F1391-L1476 HydrophobicContact CB-CD2 3.82Å; F1391-L1476 WeakPolarHBondContact O-CD2 3.46Å; Q1392-L1476 HydrophobicContact CG-CD1 4.01Å; Q1392-L1476 HydrophobicContact CG-CD2 4.16Å; Q1392-L1476 HydrophobicContact CG-CG 4.49Å; E1451-L1476 HydrophobicContact CG-CD1 4.07Å; K1472-L1476 PolarHBondContact O-N 2.82Å; L1476-S1478 PolarHBondContact O-N 3.29Å; L1476-Q1479 WeakPolarHBondContact O-CB 3.47Å; L1476-Q1479 PolarHBondContact O-N 3.01Å; L1476-Q1479 VanDerWaalsContact O-N 3.13Å |
| 1477 | L | 63 | Low | 67.1 | Low | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.5 | -30.9 | 177.5 | -85.6 | 166.7 | 0 | 0 | 0 | 112.8 | L1452 M1474 S1475 Q1479 L1536 R1537 L1540 | L1452-L1477 HydrophobicContact CD2-CD1 3.7Å; L1452-L1477 HydrophobicContact CD2-CD2 3.69Å; L1452-L1477 HydrophobicContact CD2-CG 3.67Å; M1474-L1477 PolarHBondContact O-N 3.01Å; S1475-L1477 VanDerWaalsContact C-N 3.35Å; S1475-L1477 PolarHBondContact O-N 2.67Å; L1477-Q1479 PolarHBondContact O-N 3.14Å; L1477-L1536 HydrophobicContact CB-CD1 4.28Å; L1477-L1536 VanDerWaalsContact O-CD1 3.31Å; L1477-L1536 WeakPolarHBondContact O-CD1 3.27Å; L1477-L1536 VanDerWaalsContact O-CD2 3.31Å; L1477-L1536 WeakPolarHBondContact O-CD2 3.37Å; L1477-R1537 VanDerWaalsContact CD1-NH1 3.33Å; L1477-L1540 HydrophobicContact CD2-CD1 4.06Å |
| 1478 | S | 63.9 | Low | 68.4 | Low | 80 Ų | 80 | 46.9 Ų | 46.9 | 56% | 0.559 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -72.4 | -9.1 | 177 | 70.4 | 0 | 0 | 0 | 0 | 114.4 | M1474 S1475 L1476 | M1474-S1478 PolarHBondContact O-N 3.4Å; S1475-S1478 WeakPolarHBondContact CA-OG 3.18Å; S1475-S1478 PolarHBondContact O-N 3.3Å; S1475-S1478 PolarHBondContact O-OG 3.07Å; L1476-S1478 PolarHBondContact O-N 3.29Å |
| 1479 | Q | 71.5 | Confident | 69.7 | Low | 32 Ų | 32 | 39.1 Ų | 39.1 | 15% | 0.15 | 20% | 0.203 | C | C | . | . | trans | -82.2 | 116.4 | 173.3 | -67.4 | -164.4 | 5.9 | 0 | 0 | 112.2 | S1394 S1475 L1476 L1477 P1481 F1482 L1483 | S1394-Q1479 PolarHBondContact OG-NE2 2.87Å; S1394-Q1479 PolarHBondContact OG-OE1 3.15Å; S1394-Q1479 VanDerWaalsContact OG-OE1 3.05Å; S1475-Q1479 PolarHBondContact O-N 3.47Å; L1476-Q1479 WeakPolarHBondContact O-CB 3.47Å; L1476-Q1479 PolarHBondContact O-N 3.01Å; L1476-Q1479 VanDerWaalsContact O-N 3.13Å; L1477-Q1479 PolarHBondContact O-N 3.14Å; Q1479-P1481 HydrophobicContact CB-CG 4.41Å; Q1479-F1482 HydrophobicContact CB-CB 4.01Å; Q1479-F1482 WeakPolarHBondContact O-CB 3.46Å; Q1479-F1482 PolarHBondContact O-N 3.04Å; Q1479-L1483 PolarHBondContact O-N 2.72Å | ||
| 1480 | Q | 71.3 | Confident | 70.8 | Confident | 79 Ų | 79 | 35 Ų | 35 | 37% | 0.369 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -50.2 | -45.9 | 169.7 | -70.2 | -176.7 | -49.8 | 0 | 0 | 114.3 | K444 W1427 F1482 L1483 S1484 | K444-Q1480 PolarHBondContact O-NE2 2.86Å; W1427-Q1480 HydrophobicContact CH2-CB 3.84Å; W1427-Q1480 HydrophobicContact CZ2-CB 4.07Å; Q1480-F1482 VanDerWaalsContact C-N 3.27Å; Q1480-F1482 PolarHBondContact O-N 2.92Å; Q1480-L1483 WeakPolarHBondContact O-CB 3.16Å; Q1480-L1483 PolarHBondContact O-N 2.77Å; Q1480-S1484 PolarHBondContact O-N 3.29Å |
| 1481 | P | 74.2 | Confident | 71.6 | Confident | 11 Ų | 11 | 40.1 Ų | 40.1 | 7% | 0.071 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.4 | -21.1 | 179.3 | 27.1 | -35.6 | 0 | 0 | 0 | 113.6 | F1391 V1426 W1427 Q1479 S1484 L1485 | F1391-P1481 HydrophobicContact CE1-CB 3.9Å; F1391-P1481 HydrophobicContact CE1-CG 4.17Å; F1391-P1481 WeakPolarHBondContact CE1-O 3.38Å; V1426-P1481 HydrophobicContact CG1-CB 4.18Å; V1426-P1481 HydrophobicContact CG1-CG 3.93Å; W1427-P1481 HydrophobicContact CD2-CB 3.78Å; W1427-P1481 HydrophobicContact CD2-CG 4.25Å; W1427-P1481 HydrophobicContact CE3-CB 4.04Å; W1427-P1481 HydrophobicContact CG-CB 4.07Å; W1427-P1481 HydrophobicContact CG-CG 4.47Å; W1427-P1481 HydrophobicContact CZ2-CG 4.46Å; Q1479-P1481 HydrophobicContact CB-CG 4.41Å; P1481-S1484 WeakPolarHBondContact O-CB 3.3Å; P1481-L1485 PolarHBondContact O-N 3.22Å |
| 1482 | F | 82.8 | Confident | 72.1 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -73.5 | -41.7 | 171.7 | -176.4 | -106.5 | 0 | 0 | 0 | 111 | I1388 F1391 A1448 Q1479 Q1480 S1484 L1485 V1486 | I1388-F1482 HydrophobicContact CD1-CE2 3.88Å; F1391-F1482 HydrophobicContact CB-CD2 3.97Å; F1391-F1482 HydrophobicContact CD1-CB 3.7Å; F1391-F1482 AromaticContact CD1-CD2 3.96Å; F1391-F1482 HydrophobicContact CD1-CD2 3.96Å; F1391-F1482 HydrophobicContact CD1-CG 4.32Å; F1391-F1482 HydrophobicContact CD2-CD2 4.29Å; F1391-F1482 HydrophobicContact CE1-CB 4.01Å; F1391-F1482 HydrophobicContact CG-CB 4.41Å; F1391-F1482 AromaticContact CG-CD2 3.8Å; F1391-F1482 HydrophobicContact CG-CD2 3.8Å; A1448-F1482 HydrophobicContact CB-CZ 4.16Å; Q1479-F1482 HydrophobicContact CB-CB 4.01Å; Q1479-F1482 WeakPolarHBondContact O-CB 3.46Å; Q1479-F1482 PolarHBondContact O-N 3.04Å; Q1480-F1482 VanDerWaalsContact C-N 3.27Å; Q1480-F1482 PolarHBondContact O-N 2.92Å; F1482-S1484 VanDerWaalsContact C-N 3.29Å; F1482-S1484 PolarHBondContact O-N 3.23Å; F1482-L1485 PolarHBondContact O-N 3.36Å; F1482-V1486 HydrophobicContact CE1-CG2 4.31Å; F1482-V1486 HydrophobicContact CZ-CG2 4.3Å; F1482-V1486 PolarHBondContact O-N 3.42Å |
| 1483 | L | 76.4 | Confident | 72.9 | Confident | 10 Ų | 10 | 33.9 Ų | 33.9 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 171.8 | -172 | 68.3 | 0 | 0 | 0 | 111.1 | F442 Q1479 Q1480 V1486 L1487 L1536 L1540 | F442-L1483 HydrophobicContact CB-CD2 3.89Å; Q1479-L1483 PolarHBondContact O-N 2.72Å; Q1480-L1483 WeakPolarHBondContact O-CB 3.16Å; Q1480-L1483 PolarHBondContact O-N 2.77Å; L1483-V1486 PolarHBondContact O-N 3.15Å; L1483-L1487 HydrophobicContact CD1-CD1 4.49Å; L1483-L1487 HydrophobicContact CD2-CD1 4.47Å; L1483-L1487 HydrophobicContact CG-CD1 3.96Å; L1483-L1487 HydrophobicContact CG-CG 4.45Å; L1483-L1487 WeakPolarHBondContact O-CB 3.42Å; L1483-L1487 WeakPolarHBondContact O-CG 3.33Å; L1483-L1487 PolarHBondContact O-N 3.38Å; L1483-L1536 HydrophobicContact CD1-CD2 4.46Å; L1483-L1536 HydrophobicContact CD2-CD2 4.08Å; L1483-L1540 HydrophobicContact CD1-CD1 4.31Å; L1483-L1540 HydrophobicContact CD1-CD2 3.9Å; L1483-L1540 HydrophobicContact CD1-CG 3.77Å |
| 1484 | S | 77 | Confident | 73.5 | Confident | 14 Ų | 14 | 36.2 Ų | 36.2 | 10% | 0.098 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -53.2 | -56.4 | 172.3 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | C445 Q1480 P1481 F1482 V1486 L1487 T1488 | C445-S1484 WeakPolarHBondContact SG-CB 3.32Å; C445-S1484 PolarHBondContact SG-OG 3.38Å; Q1480-S1484 PolarHBondContact O-N 3.29Å; P1481-S1484 WeakPolarHBondContact O-CB 3.3Å; F1482-S1484 VanDerWaalsContact C-N 3.29Å; F1482-S1484 PolarHBondContact O-N 3.23Å; S1484-V1486 VanDerWaalsContact C-N 3.3Å; S1484-V1486 PolarHBondContact O-N 2.98Å; S1484-L1487 PolarHBondContact O-N 2.99Å; S1484-L1487 VanDerWaalsContact O-N 3.16Å; S1484-T1488 WeakPolarHBondContact O-CB 3.49Å; S1484-T1488 PolarHBondContact O-N 3.01Å; S1484-T1488 PolarHBondContact O-OG1 3.36Å; S1484-T1488 VanDerWaalsContact O-OG1 3.05Å |
| 1485 | L | 84.8 | Confident | 74.2 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -52.2 | -47 | 179.7 | 178.9 | 70.7 | 0 | 0 | 0 | 112.5 | T1387 F1391 V1429 A1430 I1433 V1444 P1481 F1482 C1489 | T1387-L1485 HydrophobicContact CG2-CD1 4.25Å; T1387-L1485 HydrophobicContact CG2-CD2 3.51Å; F1391-L1485 HydrophobicContact CD2-CD2 4.15Å; F1391-L1485 HydrophobicContact CE2-CB 4.49Å; F1391-L1485 HydrophobicContact CE2-CD2 3.71Å; F1391-L1485 HydrophobicContact CZ-CB 4.31Å; F1391-L1485 HydrophobicContact CZ-CD2 4.33Å; V1429-L1485 HydrophobicContact CG1-CD1 4.37Å; A1430-L1485 HydrophobicContact CB-CB 4.2Å; A1430-L1485 HydrophobicContact CB-CD1 4.36Å; I1433-L1485 HydrophobicContact CB-CD1 4.06Å; I1433-L1485 HydrophobicContact CG1-CD1 3.98Å; I1433-L1485 HydrophobicContact CG2-CD1 4.26Å; V1444-L1485 HydrophobicContact CG1-CD1 4.09Å; V1444-L1485 HydrophobicContact CG1-CD2 3.87Å; V1444-L1485 HydrophobicContact CG1-CG 4Å; P1481-L1485 PolarHBondContact O-N 3.22Å; F1482-L1485 PolarHBondContact O-N 3.36Å; L1485-C1489 WeakPolarHBondContact O-CB 3.32Å; L1485-C1489 PolarHBondContact O-N 2.98Å; L1485-C1489 PolarHBondContact O-SG 3.23Å |
| 1486 | V | 83.1 | Confident | 74.7 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.6 | -45.4 | -179.1 | -179.6 | 0 | 0 | 0 | 0 | 111 | L1445 A1448 F1482 L1483 S1484 T1488 C1489 L1490 L1500 L1540 | L1445-V1486 HydrophobicContact CD2-CG1 4.05Å; A1448-V1486 HydrophobicContact CB-CG2 4Å; F1482-V1486 HydrophobicContact CE1-CG2 4.31Å; F1482-V1486 HydrophobicContact CZ-CG2 4.3Å; F1482-V1486 PolarHBondContact O-N 3.42Å; L1483-V1486 PolarHBondContact O-N 3.15Å; S1484-V1486 VanDerWaalsContact C-N 3.3Å; S1484-V1486 PolarHBondContact O-N 2.98Å; V1486-T1488 PolarHBondContact O-N 2.99Å; V1486-C1489 PolarHBondContact O-N 3.21Å; V1486-L1490 HydrophobicContact CG1-CD1 4.15Å; V1486-L1490 HydrophobicContact CG1-CG 4.49Å; V1486-L1490 VanDerWaalsContact O-CG 3.25Å; V1486-L1490 WeakPolarHBondContact O-CG 3.41Å; V1486-L1490 PolarHBondContact O-N 2.94Å; V1486-L1500 HydrophobicContact CG1-CD2 4.23Å; V1486-L1540 HydrophobicContact CB-CD2 4.19Å; V1486-L1540 HydrophobicContact CG1-CD2 3.57Å |
| 1487 | L | 76.8 | Confident | 75.4 | Confident | 39 Ų | 39 | 44.5 Ų | 44.5 | 20% | 0.204 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 177.3 | -70.7 | 173.4 | 0 | 0 | 0 | 112.3 | L1483 S1484 L1490 | L1483-L1487 HydrophobicContact CD1-CD1 4.49Å; L1483-L1487 HydrophobicContact CD2-CD1 4.47Å; L1483-L1487 HydrophobicContact CG-CD1 3.96Å; L1483-L1487 HydrophobicContact CG-CG 4.45Å; L1483-L1487 WeakPolarHBondContact O-CB 3.42Å; L1483-L1487 WeakPolarHBondContact O-CG 3.33Å; L1483-L1487 PolarHBondContact O-N 3.38Å; S1484-L1487 PolarHBondContact O-N 2.99Å; S1484-L1487 VanDerWaalsContact O-N 3.16Å; L1487-L1490 HydrophobicContact CD2-CD1 4.42Å; L1487-L1490 PolarHBondContact O-N 3.47Å |
| 1488 | T | 79 | Confident | 76.3 | Confident | 44 Ų | 44 | 49.3 Ų | 49.3 | 27% | 0.27 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.3 | -49 | 173.5 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | A1434 S1484 V1486 L1490 K1491 | A1434-T1488 HydrophobicContact CB-CG2 3.64Å; S1484-T1488 WeakPolarHBondContact O-CB 3.49Å; S1484-T1488 PolarHBondContact O-N 3.01Å; S1484-T1488 PolarHBondContact O-OG1 3.36Å; S1484-T1488 VanDerWaalsContact O-OG1 3.05Å; V1486-T1488 PolarHBondContact O-N 2.99Å; T1488-L1490 VanDerWaalsContact C-N 3.27Å; T1488-L1490 PolarHBondContact O-N 3.36Å; T1488-K1491 PolarHBondContact O-N 3.34Å |
| 1489 | C | 85.3 | Confident | 77.2 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.9 | -24 | -179 | -66.2 | 0 | 0 | 0 | 0 | 113.4 | Q1441 L1445 L1485 V1486 K1491 Q1493 | Q1441-C1489 HydrophobicContact CB-CB 4.12Å; L1445-C1489 HydrophobicContact CD1-CB 3.89Å; L1445-C1489 VanDerWaalsContact CD1-O 3.31Å; L1445-C1489 WeakPolarHBondContact CD1-O 3.17Å; L1445-C1489 HydrophobicContact CG-CB 3.81Å; L1485-C1489 WeakPolarHBondContact O-CB 3.32Å; L1485-C1489 PolarHBondContact O-N 2.98Å; L1485-C1489 PolarHBondContact O-SG 3.23Å; V1486-C1489 PolarHBondContact O-N 3.21Å; C1489-K1491 PolarHBondContact O-N 3.16Å; C1489-Q1493 WeakPolarHBondContact O-CG 3.34Å |
| 1490 | L | 76.4 | Confident | 77.7 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -9 | 178.9 | -79.1 | 168.4 | 0 | 0 | 0 | 114.3 | L1445 V1486 L1487 T1488 G1492 R1497 L1500 M1544 | L1445-L1490 HydrophobicContact CD1-CD2 3.87Å; L1445-L1490 HydrophobicContact CD1-CG 4.14Å; L1445-L1490 HydrophobicContact CD2-CD2 3.81Å; L1445-L1490 HydrophobicContact CD2-CG 4.04Å; L1445-L1490 HydrophobicContact CG-CD2 4.49Å; V1486-L1490 HydrophobicContact CG1-CD1 4.15Å; V1486-L1490 HydrophobicContact CG1-CG 4.49Å; V1486-L1490 VanDerWaalsContact O-CG 3.25Å; V1486-L1490 WeakPolarHBondContact O-CG 3.41Å; V1486-L1490 PolarHBondContact O-N 2.94Å; L1487-L1490 HydrophobicContact CD2-CD1 4.42Å; L1487-L1490 PolarHBondContact O-N 3.47Å; T1488-L1490 VanDerWaalsContact C-N 3.27Å; T1488-L1490 PolarHBondContact O-N 3.36Å; L1490-G1492 PolarHBondContact O-N 3.04Å; L1490-R1497 HydrophobicContact CD2-CG 3.61Å; L1490-R1497 PolarHBondContact O-NE 2.7Å; L1490-R1497 PolarHBondContact O-NH2 3.12Å; L1490-L1500 HydrophobicContact CD2-CD2 4.34Å; L1490-M1544 HydrophobicContact CD1-CG 3.88Å; L1490-M1544 HydrophobicContact CD1-SD 4.09Å; L1490-M1544 HydrophobicContact CD2-CG 3.95Å; L1490-M1544 HydrophobicContact CD2-SD 3.52Å; L1490-M1544 VanDerWaalsContact CD2-SD 3.52Å; L1490-M1544 HydrophobicContact CG-SD 4.5Å |
| 1491 | K | 71 | Confident | 78.5 | Confident | 175 Ų | 175 | 42.8 Ų | 42.8 | 76% | 0.761 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 90.3 | -175.9 | -161.1 | 172.7 | -174.8 | 176.9 | 0 | 111.8 | T1488 C1489 | T1488-K1491 PolarHBondContact O-N 3.34Å; C1489-K1491 PolarHBondContact O-N 3.16Å |
| 1492 | G | 67.7 | Low | 79.1 | Confident | 60 Ų | 60 | 45.4 Ų | 45.4 | 62% | 0.619 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.7 | 7.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1490 D1494 | L1490-G1492 PolarHBondContact O-N 3.04Å; G1492-D1494 PolarHBondContact O-N 3.28Å |
| 1493 | Q | 76.4 | Confident | 79.1 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 14% | 0.14 | 26% | 0.256 | C | S | . | . | trans | -97.9 | 58.5 | -178.1 | -66.6 | -63.6 | -36.3 | 0 | 0 | 112.7 | T1438 L1445 C1489 E1495 Q1496 R1497 | T1438-Q1493 PolarHBondContact O-NE2 3.04Å; L1445-Q1493 HydrophobicContact CD1-CB 3.8Å; L1445-Q1493 HydrophobicContact CD1-CG 3.93Å; C1489-Q1493 WeakPolarHBondContact O-CG 3.34Å; Q1493-E1495 VanDerWaalsContact C-N 3.34Å; Q1493-E1495 PolarHBondContact O-N 3.21Å; Q1493-Q1496 HydrophobicContact CB-CB 4.27Å; Q1493-Q1496 PolarHBondContact O-N 2.77Å; Q1493-R1497 WeakPolarHBondContact O-CD 3.39Å; Q1493-R1497 VanDerWaalsContact O-CG 3.31Å; Q1493-R1497 WeakPolarHBondContact O-CG 3.42Å; Q1493-R1497 PolarHBondContact O-N 2.77Å | ||
| 1494 | D | 72 | Confident | 79.7 | Confident | 72 Ų | 72 | 45 Ų | 45 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.1 | -31.7 | -170.5 | -80.8 | 0.5 | 0 | 0 | 0 | 114.4 | G1492 R1497 R1550 | G1492-D1494 PolarHBondContact O-N 3.28Å; D1494-R1497 VanDerWaalsContact OD1-CD 3.22Å; D1494-R1497 WeakPolarHBondContact OD1-CD 3.44Å; D1494-R1497 IonicContact OD1-CZ 3.81Å; D1494-R1497 IonicContact OD1-NE 3.36Å; D1494-R1497 IonicContact OD1-NH1 2.67Å; D1494-R1497 PolarHBondContact OD1-NH1 3.24Å; D1494-R1550 IonicContact OD2-NH1 3.73Å; D1494-R1550 PolarHBondContact OD2-NH1 2.95Å |
| 1495 | E | 72.4 | Confident | 80.3 | Confident | 177 Ų | 177 | 46.7 Ų | 46.7 | 83% | 0.827 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -71.7 | -40.8 | 173.5 | -66.6 | -168.3 | 149.4 | 0 | 0 | 112.9 | Q1493 R1497 | Q1493-E1495 VanDerWaalsContact C-N 3.34Å; Q1493-E1495 PolarHBondContact O-N 3.21Å; E1495-R1497 VanDerWaalsContact C-N 3.34Å |
| 1496 | Q | 76.5 | Confident | 80.5 | Confident | 64 Ų | 64 | 49 Ų | 49 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -73 | -27.9 | 179 | -59.7 | -62.2 | -29.4 | 0 | 0 | 112 | L1445 Q1493 G1499 L1500 | L1445-Q1496 HydrophobicContact CB-CB 4.44Å; L1445-Q1496 HydrophobicContact CD1-CB 4.42Å; Q1493-Q1496 HydrophobicContact CB-CB 4.27Å; Q1493-Q1496 PolarHBondContact O-N 2.77Å; Q1496-G1499 PolarHBondContact O-N 3.38Å; Q1496-L1500 WeakPolarHBondContact O-CB 3.29Å; Q1496-L1500 PolarHBondContact O-N 2.74Å |
| 1497 | R | 82.8 | Confident | 80.5 | Confident | 32 Ų | 32 | 49.1 Ų | 49.1 | 12% | 0.121 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.6 | -46 | 173.2 | -81.9 | 160.5 | 163.1 | -153.2 | -13.3 | 112.4 | L1490 Q1493 D1494 E1495 L1501 M1544 | L1490-R1497 HydrophobicContact CD2-CG 3.61Å; L1490-R1497 PolarHBondContact O-NE 2.7Å; L1490-R1497 PolarHBondContact O-NH2 3.12Å; Q1493-R1497 WeakPolarHBondContact O-CD 3.39Å; Q1493-R1497 VanDerWaalsContact O-CG 3.31Å; Q1493-R1497 WeakPolarHBondContact O-CG 3.42Å; Q1493-R1497 PolarHBondContact O-N 2.77Å; D1494-R1497 VanDerWaalsContact OD1-CD 3.22Å; D1494-R1497 WeakPolarHBondContact OD1-CD 3.44Å; D1494-R1497 IonicContact OD1-CZ 3.81Å; D1494-R1497 IonicContact OD1-NE 3.36Å; D1494-R1497 IonicContact OD1-NH1 2.67Å; D1494-R1497 PolarHBondContact OD1-NH1 3.24Å; E1495-R1497 VanDerWaalsContact C-N 3.34Å; R1497-L1501 WeakPolarHBondContact O-CB 3.31Å; R1497-L1501 WeakPolarHBondContact O-CG 3.44Å; R1497-L1501 PolarHBondContact O-N 2.98Å; R1497-M1544 HydrophobicContact CB-SD 4.22Å; R1497-M1544 HydrophobicContact CG-CG 4.29Å; R1497-M1544 HydrophobicContact CG-SD 4.05Å |
| 1498 | E | 82 | Confident | 81.1 | Confident | 103 Ų | 103 | 47.2 Ų | 47.2 | 48% | 0.481 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.5 | -40 | 178.1 | -66.3 | -152 | 129.5 | 0 | 0 | 112.1 | L1501 A1502 T1547 Q1554 | E1498-L1501 PolarHBondContact O-N 3.31Å; E1498-A1502 PolarHBondContact O-N 3.48Å; E1498-T1547 HydrophobicContact CG-CG2 4.04Å; E1498-Q1554 PolarHBondContact OE1-NE2 3.1Å |
| 1499 | G | 81.7 | Confident | 81.6 | Confident | 42 Ų | 42 | 48.6 Ų | 48.6 | 43% | 0.433 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61 | -49 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1496 L1501 A1502 S1503 | Q1496-G1499 PolarHBondContact O-N 3.38Å; G1499-L1501 PolarHBondContact O-N 2.87Å; G1499-A1502 PolarHBondContact O-N 3.49Å; G1499-S1503 PolarHBondContact O-N 3.21Å |
| 1500 | L | 83.1 | Confident | 81.6 | Confident | 10 Ų | 10 | 52.4 Ų | 52.4 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.1 | -36.1 | 178 | -172.4 | 65.2 | 0 | 0 | 0 | 112.1 | L1445 L1452 V1486 L1490 Q1496 S1503 L1504 M1544 | L1445-L1500 HydrophobicContact CD2-CD2 3.75Å; L1452-L1500 HydrophobicContact CD1-CD1 4.16Å; V1486-L1500 HydrophobicContact CG1-CD2 4.23Å; L1490-L1500 HydrophobicContact CD2-CD2 4.34Å; Q1496-L1500 WeakPolarHBondContact O-CB 3.29Å; Q1496-L1500 PolarHBondContact O-N 2.74Å; L1500-S1503 WeakPolarHBondContact O-CB 3.3Å; L1500-S1503 PolarHBondContact O-N 2.89Å; L1500-L1504 HydrophobicContact CG-CD1 4.09Å; L1500-L1504 HydrophobicContact CG-CG 4.45Å; L1500-L1504 WeakPolarHBondContact O-CB 3.41Å; L1500-L1504 VanDerWaalsContact O-CG 3.31Å; L1500-L1504 WeakPolarHBondContact O-CG 3.44Å; L1500-L1504 PolarHBondContact O-N 3.32Å; L1500-M1544 HydrophobicContact CB-CE 4.31Å; L1500-M1544 HydrophobicContact CB-SD 4.38Å; L1500-M1544 HydrophobicContact CD2-CE 3.77Å; L1500-M1544 HydrophobicContact CD2-SD 4.1Å; L1500-M1544 HydrophobicContact CG-CE 3.95Å |
| 1501 | L | 87.5 | Confident | 82 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 172.9 | -83.6 | 170.4 | 0 | 0 | 0 | 112.4 | R1497 E1498 G1499 S1503 L1504 H1505 V1541 M1544 T1547 V1548 W1558 | R1497-L1501 WeakPolarHBondContact O-CB 3.31Å; R1497-L1501 WeakPolarHBondContact O-CG 3.44Å; R1497-L1501 PolarHBondContact O-N 2.98Å; E1498-L1501 PolarHBondContact O-N 3.31Å; G1499-L1501 PolarHBondContact O-N 2.87Å; L1501-S1503 VanDerWaalsContact C-N 3.3Å; L1501-S1503 PolarHBondContact O-N 3.03Å; L1501-L1504 PolarHBondContact O-N 3.31Å; L1501-H1505 WeakPolarHBondContact O-CB 3.42Å; L1501-H1505 PolarHBondContact O-N 2.88Å; L1501-V1541 HydrophobicContact CD2-CG1 4.17Å; L1501-V1541 HydrophobicContact CD2-CG2 4.35Å; L1501-M1544 HydrophobicContact CD1-CB 4.03Å; L1501-M1544 HydrophobicContact CD2-CB 4.1Å; L1501-M1544 HydrophobicContact CD2-CE 3.96Å; L1501-M1544 HydrophobicContact CG-CB 4.1Å; L1501-M1544 HydrophobicContact CG-CE 3.92Å; L1501-M1544 HydrophobicContact CG-SD 4.04Å; L1501-T1547 HydrophobicContact CD1-CG2 3.78Å; L1501-V1548 HydrophobicContact CD1-CG2 3.87Å; L1501-V1548 HydrophobicContact CD2-CG2 3.8Å; L1501-W1558 HydrophobicContact CD2-CZ2 3.95Å; L1501-W1558 WeakPolarHBondContact O-CZ2 3.39Å |
| 1502 | A | 85.8 | Confident | 82.8 | Confident | 65 Ų | 65 | 45.1 Ų | 45.1 | 54% | 0.537 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1498 G1499 H1505 S1506 | E1498-A1502 PolarHBondContact O-N 3.48Å; G1499-A1502 PolarHBondContact O-N 3.49Å; A1502-H1505 PolarHBondContact O-N 3.15Å; A1502-S1506 PolarHBondContact O-N 2.83Å |
| 1503 | S | 83.8 | Confident | 83.7 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.2 | -50.5 | 173.8 | -169.6 | 0 | 0 | 0 | 0 | 112.6 | E1453 G1499 L1500 L1501 H1505 S1506 Q1507 | E1453-S1503 VanDerWaalsContact CD-OG 3.28Å; E1453-S1503 WeakPolarHBondContact CG-OG 3.48Å; E1453-S1503 WeakPolarHBondContact OE1-CB 3.39Å; E1453-S1503 PolarHBondContact OE1-OG 2.92Å; G1499-S1503 PolarHBondContact O-N 3.21Å; L1500-S1503 WeakPolarHBondContact O-CB 3.3Å; L1500-S1503 PolarHBondContact O-N 2.89Å; L1501-S1503 VanDerWaalsContact C-N 3.3Å; L1501-S1503 PolarHBondContact O-N 3.03Å; S1503-H1505 VanDerWaalsContact C-N 3.3Å; S1503-H1505 PolarHBondContact O-N 3.21Å; S1503-S1506 WeakPolarHBondContact O-CB 3.19Å; S1503-S1506 PolarHBondContact O-N 3.43Å; S1503-S1506 VanDerWaalsContact O-N 3.13Å; S1503-Q1507 WeakPolarHBondContact O-CG 3.44Å; S1503-Q1507 PolarHBondContact O-N 2.74Å; S1503-Q1507 PolarHBondContact OG-NE2 3.4Å |
| 1504 | L | 88.1 | Confident | 84 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.6 | -36.6 | 178.7 | -71.8 | 169 | 0 | 0 | 0 | 111.9 | L1500 L1501 Q1507 V1508 R1537 L1540 V1541 M1544 W1558 | L1500-L1504 HydrophobicContact CG-CD1 4.09Å; L1500-L1504 HydrophobicContact CG-CG 4.45Å; L1500-L1504 WeakPolarHBondContact O-CB 3.41Å; L1500-L1504 VanDerWaalsContact O-CG 3.31Å; L1500-L1504 WeakPolarHBondContact O-CG 3.44Å; L1500-L1504 PolarHBondContact O-N 3.32Å; L1501-L1504 PolarHBondContact O-N 3.31Å; L1504-Q1507 PolarHBondContact O-N 3.21Å; L1504-V1508 WeakPolarHBondContact O-CB 3.4Å; L1504-V1508 WeakPolarHBondContact O-CG2 3.37Å; L1504-V1508 PolarHBondContact O-N 2.59Å; L1504-R1537 HydrophobicContact CD2-CB 4.25Å; L1504-R1537 HydrophobicContact CD2-CG 3.98Å; L1504-L1540 HydrophobicContact CD1-CB 3.84Å; L1504-L1540 HydrophobicContact CD2-CD1 4.49Å; L1504-V1541 HydrophobicContact CB-CG2 4.02Å; L1504-V1541 HydrophobicContact CD1-CG2 3.98Å; L1504-M1544 HydrophobicContact CD1-CE 3.52Å; L1504-W1558 HydrophobicContact CB-CH2 4.22Å |
| 1505 | H | 91.1 | Very high | 84.4 | Confident | 50 Ų | 50 | 43.3 Ų | 43.3 | 23% | 0.231 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 172.9 | -173 | -76.1 | 0 | 0 | 0 | 111.3 | L1501 A1502 S1503 H1509 W1558 L1561 | L1501-H1505 WeakPolarHBondContact O-CB 3.42Å; L1501-H1505 PolarHBondContact O-N 2.88Å; A1502-H1505 PolarHBondContact O-N 3.15Å; S1503-H1505 VanDerWaalsContact C-N 3.3Å; S1503-H1505 PolarHBondContact O-N 3.21Å; H1505-H1509 WeakPolarHBondContact O-CB 3.43Å; H1505-H1509 PolarHBondContact O-N 3.17Å; H1505-W1558 HydrophobicContact CB-CH2 3.98Å; H1505-W1558 HydrophobicContact CB-CZ2 3.63Å; H1505-W1558 AromaticContact CD2-CD2 3.97Å; H1505-W1558 AromaticContact CD2-CE2 3.89Å; H1505-L1561 HydrophobicContact CB-CD2 4.48Å |
| 1506 | S | 87.2 | Confident | 84.7 | Confident | 50 Ų | 50 | 40 Ų | 40 | 35% | 0.35 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.8 | -46.8 | 173 | 173.7 | 0 | 0 | 0 | 0 | 112 | Q1456 A1502 S1503 Q1510 | Q1456-S1506 PolarHBondContact NE2-O 2.83Å; Q1456-S1506 PolarHBondContact NE2-OG 3.45Å; Q1456-S1506 PolarHBondContact OE1-OG 2.52Å; A1502-S1506 PolarHBondContact O-N 2.83Å; S1503-S1506 WeakPolarHBondContact O-CB 3.19Å; S1503-S1506 PolarHBondContact O-N 3.43Å; S1503-S1506 VanDerWaalsContact O-N 3.13Å; S1506-Q1510 WeakPolarHBondContact O-CB 3.4Å; S1506-Q1510 WeakPolarHBondContact O-CG 3.42Å; S1506-Q1510 PolarHBondContact O-N 3.06Å |
| 1507 | Q | 84.3 | Confident | 84.8 | Confident | 5 Ų | 5 | 42.6 Ų | 42.6 | 2% | 0.023 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.9 | -46.9 | -178.5 | -69.8 | 176.6 | 50.8 | 0 | 0 | 112.4 | Q1456 S1503 L1504 Q1510 I1511 | Q1456-Q1507 HydrophobicContact CG-CG 3.96Å; S1503-Q1507 WeakPolarHBondContact O-CG 3.44Å; S1503-Q1507 PolarHBondContact O-N 2.74Å; S1503-Q1507 PolarHBondContact OG-NE2 3.4Å; L1504-Q1507 PolarHBondContact O-N 3.21Å; Q1507-Q1510 PolarHBondContact O-N 3.08Å; Q1507-I1511 WeakPolarHBondContact O-CG1 3.2Å; Q1507-I1511 PolarHBondContact O-N 2.83Å |
| 1508 | V | 89.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67 | -41.3 | 179.2 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | L1504 Q1510 I1511 V1512 L1534 R1537 L1561 I1565 | L1504-V1508 WeakPolarHBondContact O-CB 3.4Å; L1504-V1508 WeakPolarHBondContact O-CG2 3.37Å; L1504-V1508 PolarHBondContact O-N 2.59Å; V1508-Q1510 VanDerWaalsContact C-N 3.32Å; V1508-Q1510 PolarHBondContact O-N 3.07Å; V1508-I1511 PolarHBondContact O-N 3.22Å; V1508-V1512 WeakPolarHBondContact O-CG2 3.46Å; V1508-V1512 PolarHBondContact O-N 3.46Å; V1508-V1512 VanDerWaalsContact O-N 3.13Å; V1508-L1534 HydrophobicContact CG1-CD1 3.93Å; V1508-L1534 HydrophobicContact CG2-CD1 4.07Å; V1508-R1537 HydrophobicContact CG2-CB 4Å; V1508-L1561 HydrophobicContact CB-CD2 4.1Å; V1508-L1561 HydrophobicContact CG1-CD1 4.24Å; V1508-L1561 HydrophobicContact CG1-CD2 3.93Å; V1508-L1561 HydrophobicContact CG1-CG 4.06Å; V1508-I1565 HydrophobicContact CG1-CD1 3.69Å; V1508-I1565 HydrophobicContact CG1-CG1 4.26Å |
| 1509 | H | 90.3 | Very high | 82.8 | Confident | 73 Ų | 73 | 45.6 Ų | 45.6 | 34% | 0.338 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.7 | -38.5 | 173.3 | -179.2 | -105.7 | 0 | 0 | 0 | 112.1 | H1505 V1512 I1513 L1561 E1564 | H1505-H1509 WeakPolarHBondContact O-CB 3.43Å; H1505-H1509 PolarHBondContact O-N 3.17Å; H1509-V1512 PolarHBondContact O-N 3.03Å; H1509-I1513 WeakPolarHBondContact O-CG1 3.44Å; H1509-I1513 PolarHBondContact O-N 3.28Å; H1509-L1561 HydrophobicContact CB-CD1 3.85Å; H1509-L1561 HydrophobicContact CB-CD2 4.43Å; H1509-E1564 IonicContact CD2-OE2 2.68Å |
| 1510 | Q | 85.1 | Confident | 81.7 | Confident | 79 Ų | 79 | 46.3 Ų | 46.3 | 37% | 0.369 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.1 | -38 | 172.6 | -83.2 | -67.6 | -10.4 | 0 | 0 | 113.3 | S1506 Q1507 V1508 V1512 I1513 N1514 | S1506-Q1510 WeakPolarHBondContact O-CB 3.4Å; S1506-Q1510 WeakPolarHBondContact O-CG 3.42Å; S1506-Q1510 PolarHBondContact O-N 3.06Å; Q1507-Q1510 PolarHBondContact O-N 3.08Å; V1508-Q1510 VanDerWaalsContact C-N 3.32Å; V1508-Q1510 PolarHBondContact O-N 3.07Å; Q1510-V1512 VanDerWaalsContact C-N 3.29Å; Q1510-V1512 PolarHBondContact O-N 3.45Å; Q1510-I1513 PolarHBondContact O-N 3.02Å; Q1510-N1514 PolarHBondContact O-N 2.94Å; Q1510-N1514 PolarHBondContact O-ND2 3.45Å; Q1510-N1514 PolarHBondContact OE1-ND2 3.29Å |
| 1511 | I | 84.6 | Confident | 80.4 | Confident | 27 Ų | 27 | 50.4 Ų | 50.4 | 14% | 0.138 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 173.6 | -69 | 165.6 | 0 | 0 | 0 | 110.3 | Q1507 V1508 I1513 N1514 W1515 M1530 L1534 T1570 | Q1507-I1511 WeakPolarHBondContact O-CG1 3.2Å; Q1507-I1511 PolarHBondContact O-N 2.83Å; V1508-I1511 PolarHBondContact O-N 3.22Å; I1511-I1513 PolarHBondContact O-N 2.89Å; I1511-N1514 PolarHBondContact O-N 3.39Å; I1511-W1515 PolarHBondContact O-N 3.02Å; I1511-M1530 HydrophobicContact CG2-CG 3.98Å; I1511-M1530 HydrophobicContact CG2-SD 3.89Å; I1511-L1534 HydrophobicContact CD1-CD1 4.48Å; I1511-T1570 HydrophobicContact CG2-CG2 4.33Å |
| 1512 | V | 87.2 | Confident | 79 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64 | -37.1 | 176.9 | 174.4 | 0 | 0 | 0 | 0 | 112.7 | V1508 H1509 Q1510 R1516 E1564 I1565 | V1508-V1512 WeakPolarHBondContact O-CG2 3.46Å; V1508-V1512 PolarHBondContact O-N 3.46Å; V1508-V1512 VanDerWaalsContact O-N 3.13Å; H1509-V1512 PolarHBondContact O-N 3.03Å; Q1510-V1512 VanDerWaalsContact C-N 3.29Å; Q1510-V1512 PolarHBondContact O-N 3.45Å; V1512-R1516 PolarHBondContact O-N 3.37Å; V1512-E1564 HydrophobicContact CG1-CG 4.04Å; V1512-I1565 HydrophobicContact CG2-CB 4.31Å; V1512-I1565 HydrophobicContact CG2-CG1 3.57Å |
| 1513 | I | 86.4 | Confident | 77.8 | Confident | 49 Ų | 49 | 60 Ų | 60 | 25% | 0.251 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.1 | -53.3 | 174 | -70 | 168.1 | 0 | 0 | 0 | 111 | H1509 Q1510 I1511 W1515 R1516 E1517 | H1509-I1513 WeakPolarHBondContact O-CG1 3.44Å; H1509-I1513 PolarHBondContact O-N 3.28Å; Q1510-I1513 PolarHBondContact O-N 3.02Å; I1511-I1513 PolarHBondContact O-N 2.89Å; I1513-W1515 PolarHBondContact O-N 3.25Å; I1513-R1516 WeakPolarHBondContact O-CB 3.27Å; I1513-R1516 PolarHBondContact O-N 3.34Å; I1513-E1517 PolarHBondContact O-N 3.14Å; I1513-E1517 VanDerWaalsContact O-N 3.11Å |
| 1514 | N | 82.5 | Confident | 77 | Confident | 34 Ų | 34 | 64.6 Ų | 64.6 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.7 | -27.2 | -176.8 | -72.3 | -89.2 | 0 | 0 | 0 | 112.2 | Q1510 I1511 Q1519 Y1520 | Q1510-N1514 PolarHBondContact O-N 2.94Å; Q1510-N1514 PolarHBondContact O-ND2 3.45Å; Q1510-N1514 PolarHBondContact OE1-ND2 3.29Å; I1511-N1514 PolarHBondContact O-N 3.39Å; N1514-Q1519 PolarHBondContact OD1-NE2 3.01Å; N1514-Y1520 HydrophobicContact CB-CE2 4Å |
| 1515 | W | 80.5 | Confident | 76.2 | Confident | 40 Ų | 40 | 72.3 Ų | 72.3 | 15% | 0.152 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.4 | -45.7 | 169.9 | -171.7 | -97.4 | 0 | 0 | 0 | 112.8 | I1511 I1513 E1517 N1518 Y1520 K1527 M1530 G1569 T1570 | I1511-W1515 PolarHBondContact O-N 3.02Å; I1513-W1515 PolarHBondContact O-N 3.25Å; W1515-E1517 PolarHBondContact O-N 3.27Å; W1515-N1518 PolarHBondContact O-N 2.91Å; W1515-N1518 VanDerWaalsContact O-N 3.13Å; W1515-Y1520 HydrophobicContact CE3-CD2 4.33Å; W1515-Y1520 HydrophobicContact CE3-CG 4.46Å; W1515-K1527 HydrophobicContact CH2-CD 3.88Å; W1515-K1527 HydrophobicContact CH2-CG 3.94Å; W1515-K1527 HydrophobicContact CZ3-CB 4.48Å; W1515-K1527 HydrophobicContact CZ3-CD 4.36Å; W1515-K1527 HydrophobicContact CZ3-CG 3.91Å; W1515-M1530 HydrophobicContact CD2-SD 4.43Å; W1515-M1530 HydrophobicContact CE3-CE 3.87Å; W1515-M1530 HydrophobicContact CE3-SD 3.4Å; W1515-M1530 HydrophobicContact CH2-CE 4.37Å; W1515-M1530 HydrophobicContact CZ3-CE 3.62Å; W1515-M1530 HydrophobicContact CZ3-SD 3.64Å; W1515-G1569 WeakPolarHBondContact CZ2-O 3.26Å; W1515-G1569 VanDerWaalsContact NE1-C 3.34Å; W1515-G1569 PolarHBondContact NE1-O 3.5Å; W1515-T1570 HydrophobicContact CB-CG2 4.33Å; W1515-T1570 WeakPolarHBondContact CB-OG1 3.44Å; W1515-T1570 HydrophobicContact CD2-CG2 4.22Å; W1515-T1570 HydrophobicContact CE3-CG2 4.49Å; W1515-T1570 HydrophobicContact CG-CG2 4.16Å; W1515-T1570 VanDerWaalsContact CG-OG1 3.27Å |
| 1516 | R | 79.3 | Confident | 75.3 | Confident | 107 Ų | 107 | 72 Ų | 72 | 40% | 0.404 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.2 | -24.3 | 177.1 | -71.6 | 179.1 | 178.3 | 166.3 | 3.8 | 113.6 | V1512 I1513 N1518 E1564 | V1512-R1516 PolarHBondContact O-N 3.37Å; I1513-R1516 WeakPolarHBondContact O-CB 3.27Å; I1513-R1516 PolarHBondContact O-N 3.34Å; R1516-N1518 PolarHBondContact O-N 3.46Å; R1516-E1564 IonicContact CZ-OE1 3.01Å; R1516-E1564 IonicContact NH1-OE1 2.68Å; R1516-E1564 PolarHBondContact NH1-OE1 2.61Å; R1516-E1564 VanDerWaalsContact NH2-CD 3.32Å; R1516-E1564 IonicContact NH2-OE1 2.69Å; R1516-E1564 PolarHBondContact NH2-OE1 3.06Å |
| 1517 | E | 77.8 | Confident | 74.7 | Confident | 119 Ų | 119 | 72.5 Ų | 72.5 | 56% | 0.556 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 11.2 | 173.9 | -66.5 | -172.7 | 167.9 | 0 | 0 | 113.6 | I1513 W1515 Q1519 | I1513-E1517 PolarHBondContact O-N 3.14Å; I1513-E1517 VanDerWaalsContact O-N 3.11Å; W1515-E1517 PolarHBondContact O-N 3.27Å; E1517-Q1519 HydrophobicContact CB-CG 4.24Å; E1517-Q1519 PolarHBondContact O-N 3.44Å; E1517-Q1519 VanDerWaalsContact O-N 3.1Å; E1517-Q1519 PolarHBondContact OE2-NE2 3.42Å |
| 1518 | N | 63.6 | Low | 74.4 | Confident | 106 Ų | 106 | 78.6 Ų | 78.6 | 57% | 0.567 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 14.5 | 175 | -64.9 | -17 | 0 | 0 | 0 | 115.6 | W1515 R1516 Y1520 L1521 | W1515-N1518 PolarHBondContact O-N 2.91Å; W1515-N1518 VanDerWaalsContact O-N 3.13Å; R1516-N1518 PolarHBondContact O-N 3.46Å; N1518-Y1520 PolarHBondContact O-N 3.16Å; N1518-L1521 HydrophobicContact CB-CD1 3.86Å; N1518-L1521 PolarHBondContact O-N 2.89Å; N1518-L1521 WeakPolarHBondContact OD1-CD1 3.3Å |
| 1519 | Q | 59.6 | Low | 73.5 | Confident | 92 Ų | 92 | 83.7 Ų | 83.7 | 43% | 0.43 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -5.6 | -176.2 | -61.7 | -175.7 | 39.7 | 0 | 0 | 114.6 | N1514 E1517 | N1514-Q1519 PolarHBondContact OD1-NE2 3.01Å; E1517-Q1519 HydrophobicContact CB-CG 4.24Å; E1517-Q1519 PolarHBondContact O-N 3.44Å; E1517-Q1519 VanDerWaalsContact O-N 3.1Å; E1517-Q1519 PolarHBondContact OE2-NE2 3.42Å |
| 1520 | Y | 59.1 | Low | 73.1 | Confident | 57 Ų | 57 | 80.6 Ų | 80.6 | 22% | 0.224 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.6 | 14.9 | -170.8 | -63.1 | -77.1 | 0 | 0 | 0 | 114.5 | N1514 W1515 N1518 P1526 K1527 | N1514-Y1520 HydrophobicContact CB-CE2 4Å; W1515-Y1520 HydrophobicContact CE3-CD2 4.33Å; W1515-Y1520 HydrophobicContact CE3-CG 4.46Å; N1518-Y1520 PolarHBondContact O-N 3.16Å; Y1520-P1526 HydrophobicContact CD1-CB 3.91Å; Y1520-P1526 HydrophobicContact CE1-CB 4.44Å; Y1520-K1527 WeakPolarHBondContact O-CE 3.12Å; Y1520-K1527 WeakPolarHBondContact O-CG 3.45Å |
| 1521 | L | 55.7 | Low | 73.1 | Confident | 96 Ų | 96 | 77.5 Ų | 77.5 | 50% | 0.503 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -81.1 | -35.5 | -166.4 | -106 | 163.7 | 0 | 0 | 0 | 115.8 | N1518 | N1518-L1521 HydrophobicContact CB-CD1 3.86Å; N1518-L1521 PolarHBondContact O-N 2.89Å; N1518-L1521 WeakPolarHBondContact OD1-CD1 3.3Å |
| 1522 | D | 58.2 | Low | 72.8 | Confident | 171 Ų | 171 | 80.6 Ų | 80.6 | 91% | 0.914 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -89.5 | -6.4 | -166.4 | -64.5 | -39.6 | 0 | 0 | 0 | 115.6 | ||
| 1523 | D | 60.1 | Low | 72.3 | Confident | 100 Ų | 100 | 80.9 Ų | 80.9 | 54% | 0.535 | 40% | 0.401 | S | S | . | . | trans | -141 | 139.1 | -171.7 | -158.4 | -25.3 | 0 | 0 | 0 | 112.2 | P1526 | D1523-P1526 HydrophobicContact CB-CG 4.1Š| ||
| 1524 | C | 67.2 | Low | 72.3 | Confident | 100 Ų | 100 | 78.6 Ų | 78.6 | 68% | 0.676 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -80 | -39.3 | -173.1 | -75.8 | 0 | 0 | 0 | 0 | 113.3 | K1527 Q1528 | C1524-K1527 PolarHBondContact O-N 3.4Å; C1524-Q1528 PolarHBondContact O-N 3.23Å |
| 1525 | K | 72.1 | Confident | 72.4 | Confident | 162 Ų | 162 | 77.7 Ų | 77.7 | 70% | 0.704 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.9 | -43.5 | -177.1 | -76.6 | -177.3 | 175.8 | -177.8 | 0 | 112.7 | K1527 Q1528 L1529 | K1525-K1527 PolarHBondContact O-N 2.9Å; K1525-Q1528 PolarHBondContact O-N 3.31Å; K1525-L1529 WeakPolarHBondContact O-CG 3.28Å; K1525-L1529 PolarHBondContact O-N 3.11Å |
| 1526 | P | 71.7 | Confident | 72.2 | Confident | 44 Ų | 44 | 76.9 Ų | 76.9 | 29% | 0.286 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.8 | -37.7 | 175.7 | -27.1 | 37.4 | 0 | 0 | 0 | 114.2 | Y1520 D1523 M1530 | Y1520-P1526 HydrophobicContact CD1-CB 3.91Å; Y1520-P1526 HydrophobicContact CE1-CB 4.44Å; D1523-P1526 HydrophobicContact CB-CG 4.1Å; P1526-M1530 VanDerWaalsContact O-CB 3.3Å; P1526-M1530 WeakPolarHBondContact O-CB 3.41Å; P1526-M1530 PolarHBondContact O-N 2.92Å |
| 1527 | K | 74.9 | Confident | 72.5 | Confident | 60 Ų | 60 | 72.6 Ų | 72.6 | 26% | 0.261 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 176 | -68.7 | -173.5 | 177.3 | 176.1 | 0 | 111.5 | W1515 Y1520 C1524 K1525 M1530 H1531 | W1515-K1527 HydrophobicContact CH2-CD 3.88Å; W1515-K1527 HydrophobicContact CH2-CG 3.94Å; W1515-K1527 HydrophobicContact CZ3-CB 4.48Å; W1515-K1527 HydrophobicContact CZ3-CD 4.36Å; W1515-K1527 HydrophobicContact CZ3-CG 3.91Å; Y1520-K1527 WeakPolarHBondContact O-CE 3.12Å; Y1520-K1527 WeakPolarHBondContact O-CG 3.45Å; C1524-K1527 PolarHBondContact O-N 3.4Å; K1525-K1527 PolarHBondContact O-N 2.9Å; K1527-M1530 PolarHBondContact O-N 3.11Å; K1527-H1531 PolarHBondContact O-N 3Å |
| 1528 | Q | 77.5 | Confident | 73 | Confident | 133 Ų | 133 | 67 Ų | 67 | 62% | 0.621 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66.4 | -43.6 | -177.5 | -158.1 | 166.7 | 10.3 | 0 | 0 | 111.6 | C1524 K1525 M1530 H1531 E1532 | C1524-Q1528 PolarHBondContact O-N 3.23Å; K1525-Q1528 PolarHBondContact O-N 3.31Å; Q1528-M1530 VanDerWaalsContact C-N 3.31Å; Q1528-M1530 PolarHBondContact O-N 3.42Å; Q1528-H1531 PolarHBondContact O-N 3.13Å; Q1528-E1532 PolarHBondContact O-N 3.38Å |
| 1529 | L | 70.9 | Confident | 74 | Confident | 107 Ų | 107 | 62.2 Ų | 62.2 | 56% | 0.56 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.7 | -36.6 | 172 | -71.9 | 169 | 0 | 0 | 0 | 112.8 | M1474 K1525 A1533 | M1474-L1529 HydrophobicContact CE-CB 4.17Å; M1474-L1529 WeakPolarHBondContact CE-O 3.18Å; K1525-L1529 WeakPolarHBondContact O-CG 3.28Å; K1525-L1529 PolarHBondContact O-N 3.11Å; L1529-A1533 VanDerWaalsContact O-CB 3.28Å; L1529-A1533 WeakPolarHBondContact O-CB 3.33Å; L1529-A1533 PolarHBondContact O-N 2.89Å |
| 1530 | M | 81.8 | Confident | 75 | Confident | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.039 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.9 | -36.5 | 175.4 | -175.1 | -136.2 | 64.8 | 0 | 0 | 112.1 | I1511 W1515 P1526 K1527 Q1528 A1533 L1534 T1570 | I1511-M1530 HydrophobicContact CG2-CG 3.98Å; I1511-M1530 HydrophobicContact CG2-SD 3.89Å; W1515-M1530 HydrophobicContact CD2-SD 4.43Å; W1515-M1530 HydrophobicContact CE3-CE 3.87Å; W1515-M1530 HydrophobicContact CE3-SD 3.4Å; W1515-M1530 HydrophobicContact CH2-CE 4.37Å; W1515-M1530 HydrophobicContact CZ3-CE 3.62Å; W1515-M1530 HydrophobicContact CZ3-SD 3.64Å; P1526-M1530 VanDerWaalsContact O-CB 3.3Å; P1526-M1530 WeakPolarHBondContact O-CB 3.41Å; P1526-M1530 PolarHBondContact O-N 2.92Å; K1527-M1530 PolarHBondContact O-N 3.11Å; Q1528-M1530 VanDerWaalsContact C-N 3.31Å; Q1528-M1530 PolarHBondContact O-N 3.42Å; M1530-A1533 PolarHBondContact O-N 3.24Å; M1530-L1534 WeakPolarHBondContact O-CB 3.33Å; M1530-L1534 PolarHBondContact O-N 3.39Å; M1530-T1570 HydrophobicContact CE-CG2 3.84Å; M1530-T1570 HydrophobicContact SD-CG2 4.2Å |
| 1531 | H | 85.1 | Confident | 76.4 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 7% | 0.065 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 173.9 | -77.4 | 156.9 | 0 | 0 | 0 | 112.2 | K1527 Q1528 A1533 L1534 K1535 T1570 L1579 | K1527-H1531 PolarHBondContact O-N 3Å; Q1528-H1531 PolarHBondContact O-N 3.13Å; H1531-A1533 PolarHBondContact O-N 3.48Å; H1531-L1534 PolarHBondContact O-N 2.98Å; H1531-K1535 WeakPolarHBondContact O-CB 3.4Å; H1531-K1535 PolarHBondContact O-N 3.28Å; H1531-T1570 PolarHBondContact NE2-O 2.94Å; H1531-L1579 HydrophobicContact CB-CD2 4.04Å |
| 1532 | E | 77.4 | Confident | 77.8 | Confident | 92 Ų | 92 | 50.8 Ų | 50.8 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 172.9 | -70.8 | -55.2 | 140.4 | 0 | 0 | 111.8 | Q1528 L1534 K1535 L1536 | Q1528-E1532 PolarHBondContact O-N 3.38Å; E1532-L1534 PolarHBondContact O-N 3Å; E1532-K1535 WeakPolarHBondContact O-CB 3.4Å; E1532-K1535 PolarHBondContact O-N 2.95Å; E1532-L1536 WeakPolarHBondContact O-CB 3.46Å; E1532-L1536 PolarHBondContact O-N 2.82Å |
| 1533 | A | 77.8 | Confident | 78.8 | Confident | 8 Ų | 8 | 43.4 Ų | 43.4 | 7% | 0.066 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.8 | -21.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | M1474 L1529 M1530 H1531 R1537 | M1474-A1533 HydrophobicContact CE-CB 3.44Å; M1474-A1533 VanDerWaalsContact CE-CB 3.44Å; M1474-A1533 HydrophobicContact SD-CB 3.45Å; M1474-A1533 WeakPolarHBondContact SD-CB 3.19Å; L1529-A1533 VanDerWaalsContact O-CB 3.28Å; L1529-A1533 WeakPolarHBondContact O-CB 3.33Å; L1529-A1533 PolarHBondContact O-N 2.89Å; M1530-A1533 PolarHBondContact O-N 3.24Å; H1531-A1533 PolarHBondContact O-N 3.48Å; A1533-R1537 WeakPolarHBondContact O-CD 3.45Å; A1533-R1537 WeakPolarHBondContact O-CG 3.39Å; A1533-R1537 PolarHBondContact O-NH1 3.23Å |
| 1534 | L | 86.3 | Confident | 80 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -83.2 | -43.1 | 170.6 | 179.3 | 56.6 | 0 | 0 | 0 | 110.9 | V1508 I1511 M1530 H1531 E1532 R1537 L1538 I1565 T1570 V1571 L1579 | V1508-L1534 HydrophobicContact CG1-CD1 3.93Å; V1508-L1534 HydrophobicContact CG2-CD1 4.07Å; I1511-L1534 HydrophobicContact CD1-CD1 4.48Å; M1530-L1534 WeakPolarHBondContact O-CB 3.33Å; M1530-L1534 PolarHBondContact O-N 3.39Å; H1531-L1534 PolarHBondContact O-N 2.98Å; E1532-L1534 PolarHBondContact O-N 3Å; L1534-R1537 PolarHBondContact O-N 2.77Å; L1534-L1538 HydrophobicContact CD1-CD1 4.3Å; L1534-L1538 HydrophobicContact CD1-CG 4.29Å; L1534-L1538 HydrophobicContact CG-CD1 4.17Å; L1534-L1538 WeakPolarHBondContact O-CG 3.37Å; L1534-L1538 PolarHBondContact O-N 2.75Å; L1534-I1565 HydrophobicContact CD1-CD1 4.45Å; L1534-I1565 HydrophobicContact CD2-CG2 4.16Å; L1534-T1570 HydrophobicContact CD2-CG2 4.19Å; L1534-V1571 HydrophobicContact CD2-CG2 3.64Å; L1534-L1579 HydrophobicContact CB-CD2 4.47Å; L1534-L1579 HydrophobicContact CD2-CD2 4.22Å; L1534-L1579 HydrophobicContact CG-CD2 4.39Å |
| 1535 | K | 84.4 | Confident | 81 | Confident | 16 Ų | 16 | 34 Ų | 34 | 7% | 0.07 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.6 | -53.8 | 174.6 | -169.2 | 174.5 | -177.1 | 178.2 | 0 | 110.6 | H1531 E1532 R1537 L1538 N1539 E1578 L1579 | H1531-K1535 WeakPolarHBondContact O-CB 3.4Å; H1531-K1535 PolarHBondContact O-N 3.28Å; E1532-K1535 WeakPolarHBondContact O-CB 3.4Å; E1532-K1535 PolarHBondContact O-N 2.95Å; K1535-R1537 VanDerWaalsContact C-N 3.29Å; K1535-R1537 PolarHBondContact O-N 3.27Å; K1535-L1538 PolarHBondContact O-N 3.42Å; K1535-L1538 VanDerWaalsContact O-N 3.08Å; K1535-N1539 PolarHBondContact O-N 3.27Å; K1535-N1539 PolarHBondContact O-ND2 3.03Å; K1535-N1539 PolarHBondContact O-OD1 3.12Å; K1535-E1578 WeakPolarHBondContact CE-OE1 3.26Å; K1535-E1578 IonicContact NZ-OE1 3.84Å; K1535-E1578 PolarHBondContact NZ-OE1 3.06Å; K1535-E1578 IonicContact NZ-OE2 3.95Å; K1535-E1578 PolarHBondContact NZ-OE2 3.19Å; K1535-L1579 HydrophobicContact CB-CD1 3.81Å; K1535-L1579 HydrophobicContact CG-CD1 4.08Å |
| 1536 | L | 76.7 | Confident | 81.6 | Confident | 23 Ų | 23 | 26.8 Ų | 26.8 | 12% | 0.12 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.3 | -36.3 | 177.1 | -83.6 | 154.5 | 0 | 0 | 0 | 114.2 | L1477 L1483 E1532 L1540 | L1477-L1536 HydrophobicContact CB-CD1 4.28Å; L1477-L1536 VanDerWaalsContact O-CD1 3.31Å; L1477-L1536 WeakPolarHBondContact O-CD1 3.27Å; L1477-L1536 VanDerWaalsContact O-CD2 3.31Å; L1477-L1536 WeakPolarHBondContact O-CD2 3.37Å; L1483-L1536 HydrophobicContact CD1-CD2 4.46Å; L1483-L1536 HydrophobicContact CD2-CD2 4.08Å; E1532-L1536 WeakPolarHBondContact O-CB 3.46Å; E1532-L1536 PolarHBondContact O-N 2.82Å; L1536-L1540 PolarHBondContact O-N 2.61Å |
| 1537 | R | 85.2 | Confident | 82.2 | Confident | 17 Ų | 17 | 25.1 Ų | 25.1 | 6% | 0.064 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -71 | -40.7 | 175.1 | -75.9 | 175.7 | 172.1 | 77.6 | 5.5 | 112.2 | L1477 L1504 V1508 A1533 L1534 K1535 N1539 L1540 V1541 | L1477-R1537 VanDerWaalsContact CD1-NH1 3.33Å; L1504-R1537 HydrophobicContact CD2-CB 4.25Å; L1504-R1537 HydrophobicContact CD2-CG 3.98Å; V1508-R1537 HydrophobicContact CG2-CB 4Å; A1533-R1537 WeakPolarHBondContact O-CD 3.45Å; A1533-R1537 WeakPolarHBondContact O-CG 3.39Å; A1533-R1537 PolarHBondContact O-NH1 3.23Å; L1534-R1537 PolarHBondContact O-N 2.77Å; K1535-R1537 VanDerWaalsContact C-N 3.29Å; K1535-R1537 PolarHBondContact O-N 3.27Å; R1537-N1539 VanDerWaalsContact C-N 3.33Å; R1537-L1540 PolarHBondContact O-N 3.34Å; R1537-V1541 WeakPolarHBondContact O-CG2 3.4Å; R1537-V1541 PolarHBondContact O-N 3.35Å |
| 1538 | L | 88.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.8 | -38.4 | 173.8 | -67.2 | 171.5 | 0 | 0 | 0 | 111 | L1534 K1535 L1540 V1541 G1542 L1562 L1579 V1583 M1586 | L1534-L1538 HydrophobicContact CD1-CD1 4.3Å; L1534-L1538 HydrophobicContact CD1-CG 4.29Å; L1534-L1538 HydrophobicContact CG-CD1 4.17Å; L1534-L1538 WeakPolarHBondContact O-CG 3.37Å; L1534-L1538 PolarHBondContact O-N 2.75Å; K1535-L1538 PolarHBondContact O-N 3.42Å; K1535-L1538 VanDerWaalsContact O-N 3.08Å; L1538-L1540 VanDerWaalsContact C-N 3.31Å; L1538-L1540 PolarHBondContact O-N 2.71Å; L1538-V1541 CarbonylContact O-C 3.5Å; L1538-V1541 PolarHBondContact O-N 3.26Å; L1538-G1542 PolarHBondContact O-N 2.92Å; L1538-L1562 HydrophobicContact CD2-CD2 3.85Å; L1538-L1579 HydrophobicContact CD1-CD1 3.9Å; L1538-V1583 HydrophobicContact CD1-CG2 3.57Å; L1538-M1586 HydrophobicContact CB-CE 4.19Å; L1538-M1586 HydrophobicContact CB-SD 4.4Å; L1538-M1586 HydrophobicContact CD2-SD 4.03Å; L1538-M1586 VanDerWaalsContact O-CE 3.32Å; L1538-M1586 WeakPolarHBondContact O-CE 3.36Å |
| 1539 | N | 82.8 | Confident | 83.2 | Confident | 7 Ų | 7 | 17.4 Ų | 17.4 | 4% | 0.037 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.3 | -40.1 | 175.5 | -57.7 | -9.7 | 0 | 0 | 0 | 112.1 | W440 F442 K1535 R1537 G1542 G1543 | W440-N1539 VanDerWaalsContact O-CA 3.27Å; W440-N1539 WeakPolarHBondContact O-CA 3.31Å; W440-N1539 WeakPolarHBondContact O-CB 3.17Å; W440-N1539 PolarHBondContact O-OD1 2.81Å; W440-N1539 VanDerWaalsContact O-OD1 3.12Å; F442-N1539 HydrophobicContact CB-CB 4.48Å; F442-N1539 WeakPolarHBondContact CB-ND2 3.42Å; F442-N1539 WeakPolarHBondContact CD2-ND2 3.45Å; F442-N1539 WeakPolarHBondContact CG-ND2 3.46Å; K1535-N1539 PolarHBondContact O-N 3.27Å; K1535-N1539 PolarHBondContact O-ND2 3.03Å; K1535-N1539 PolarHBondContact O-OD1 3.12Å; R1537-N1539 VanDerWaalsContact C-N 3.33Å; N1539-G1542 PolarHBondContact O-N 2.71Å; N1539-G1543 PolarHBondContact O-N 3.17Å |
| 1540 | L | 80.7 | Confident | 83.7 | Confident | 3 Ų | 3 | 19.2 Ų | 19.2 | 2% | 0.016 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.9 | -42.2 | 173.4 | -82.9 | 163.9 | 0 | 0 | 0 | 112.9 | L1477 L1483 V1486 L1504 L1536 R1537 L1538 G1542 G1543 M1544 | L1477-L1540 HydrophobicContact CD2-CD1 4.06Å; L1483-L1540 HydrophobicContact CD1-CD1 4.31Å; L1483-L1540 HydrophobicContact CD1-CD2 3.9Å; L1483-L1540 HydrophobicContact CD1-CG 3.77Å; V1486-L1540 HydrophobicContact CB-CD2 4.19Å; V1486-L1540 HydrophobicContact CG1-CD2 3.57Å; L1504-L1540 HydrophobicContact CD1-CB 3.84Å; L1504-L1540 HydrophobicContact CD2-CD1 4.49Å; L1536-L1540 PolarHBondContact O-N 2.61Å; R1537-L1540 PolarHBondContact O-N 3.34Å; L1538-L1540 VanDerWaalsContact C-N 3.31Å; L1538-L1540 PolarHBondContact O-N 2.71Å; L1540-G1542 PolarHBondContact O-N 3.16Å; L1540-G1543 PolarHBondContact O-N 3Å; L1540-M1544 WeakPolarHBondContact O-CE 3.38Å; L1540-M1544 PolarHBondContact O-N 3.16Å |
| 1541 | V | 88.9 | Confident | 83.8 | Confident | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.012 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.9 | -36.8 | 172.7 | 175 | 0 | 0 | 0 | 0 | 110.7 | L1501 L1504 R1537 L1538 M1544 F1545 W1558 | L1501-V1541 HydrophobicContact CD2-CG1 4.17Å; L1501-V1541 HydrophobicContact CD2-CG2 4.35Å; L1504-V1541 HydrophobicContact CB-CG2 4.02Å; L1504-V1541 HydrophobicContact CD1-CG2 3.98Å; R1537-V1541 WeakPolarHBondContact O-CG2 3.4Å; R1537-V1541 PolarHBondContact O-N 3.35Å; L1538-V1541 CarbonylContact O-C 3.5Å; L1538-V1541 PolarHBondContact O-N 3.26Å; V1541-M1544 CarbonylContact O-C 3.6Å; V1541-M1544 PolarHBondContact O-N 3.16Å; V1541-M1544 VanDerWaalsContact O-N 3.1Å; V1541-F1545 HydrophobicContact CG1-CD2 4.32Å; V1541-F1545 WeakPolarHBondContact O-CA 3.33Å; V1541-F1545 PolarHBondContact O-N 3.46Å; V1541-W1558 HydrophobicContact CB-CH2 4.33Å; V1541-W1558 HydrophobicContact CG1-CD2 4.34Å; V1541-W1558 HydrophobicContact CG1-CE3 4.18Å; V1541-W1558 HydrophobicContact CG1-CH2 4.05Å; V1541-W1558 HydrophobicContact CG1-CZ2 4.17Å; V1541-W1558 HydrophobicContact CG1-CZ3 4.04Å; V1541-W1558 HydrophobicContact CG2-CH2 3.29Å; V1541-W1558 HydrophobicContact CG2-CZ2 3.83Å; V1541-W1558 HydrophobicContact CG2-CZ3 3.79Å |
| 1542 | G | 86.6 | Confident | 83.7 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.5 | -47.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R439 L1538 N1539 L1540 M1544 F1545 | R439-G1542 WeakPolarHBondContact CB-O 3.46Å; R439-G1542 CarbonylContact O-C 3.59Å; R439-G1542 WeakPolarHBondContact O-CA 3.24Å; L1538-G1542 PolarHBondContact O-N 2.92Å; N1539-G1542 PolarHBondContact O-N 2.71Å; L1540-G1542 PolarHBondContact O-N 3.16Å; G1542-M1544 PolarHBondContact O-N 3.28Å; G1542-M1544 VanDerWaalsContact O-N 3.09Å; G1542-F1545 VanDerWaalsContact O-CB 3.3Å; G1542-F1545 WeakPolarHBondContact O-CB 3.38Å; G1542-F1545 PolarHBondContact O-N 3.02Å; G1542-F1545 VanDerWaalsContact O-N 3.12Å |
| 1543 | G | 78.2 | Confident | 84.2 | Confident | 16 Ų | 16 | 25.5 Ų | 25.5 | 17% | 0.165 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.8 | -24.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | N1539 L1540 | N1539-G1543 PolarHBondContact O-N 3.17Å; L1540-G1543 PolarHBondContact O-N 3Å |
| 1544 | M | 85.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 10.2 | -179.9 | -60.7 | -175.6 | -76.7 | 0 | 0 | 114.1 | L1490 R1497 L1500 L1501 L1504 L1540 V1541 G1542 D1546 T1547 | L1490-M1544 HydrophobicContact CD1-CG 3.88Å; L1490-M1544 HydrophobicContact CD1-SD 4.09Å; L1490-M1544 HydrophobicContact CD2-CG 3.95Å; L1490-M1544 HydrophobicContact CD2-SD 3.52Å; L1490-M1544 VanDerWaalsContact CD2-SD 3.52Å; L1490-M1544 HydrophobicContact CG-SD 4.5Å; R1497-M1544 HydrophobicContact CB-SD 4.22Å; R1497-M1544 HydrophobicContact CG-CG 4.29Å; R1497-M1544 HydrophobicContact CG-SD 4.05Å; L1500-M1544 HydrophobicContact CB-CE 4.31Å; L1500-M1544 HydrophobicContact CB-SD 4.38Å; L1500-M1544 HydrophobicContact CD2-CE 3.77Å; L1500-M1544 HydrophobicContact CD2-SD 4.1Å; L1500-M1544 HydrophobicContact CG-CE 3.95Å; L1501-M1544 HydrophobicContact CD1-CB 4.03Å; L1501-M1544 HydrophobicContact CD2-CB 4.1Å; L1501-M1544 HydrophobicContact CD2-CE 3.96Å; L1501-M1544 HydrophobicContact CG-CB 4.1Å; L1501-M1544 HydrophobicContact CG-CE 3.92Å; L1501-M1544 HydrophobicContact CG-SD 4.04Å; L1504-M1544 HydrophobicContact CD1-CE 3.52Å; L1540-M1544 WeakPolarHBondContact O-CE 3.38Å; L1540-M1544 PolarHBondContact O-N 3.16Å; V1541-M1544 CarbonylContact O-C 3.6Å; V1541-M1544 PolarHBondContact O-N 3.16Å; V1541-M1544 VanDerWaalsContact O-N 3.1Å; G1542-M1544 PolarHBondContact O-N 3.28Å; G1542-M1544 VanDerWaalsContact O-N 3.09Å; M1544-D1546 PolarHBondContact O-N 3.01Å; M1544-D1546 VanDerWaalsContact O-N 3.12Å; M1544-T1547 VanDerWaalsContact O-CB 3.26Å; M1544-T1547 WeakPolarHBondContact O-CB 3.45Å; M1544-T1547 PolarHBondContact O-N 2.97Å; M1544-T1547 PolarHBondContact O-OG1 3.48Å |
| 1545 | F | 88.5 | Confident | 84.9 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.009 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.9 | -23.7 | -165.7 | -152.6 | -93.2 | 0 | 0 | 0 | 114.2 | Y382 W440 V1541 G1542 T1547 V1548 Q1549 M1586 V1589 L1590 | Y382-F1545 WeakPolarHBondContact OH-CB 3.2Å; Y382-F1545 VanDerWaalsContact OH-CD1 3.31Å; Y382-F1545 WeakPolarHBondContact OH-CD1 3.39Å; W440-F1545 HydrophobicContact CE3-CD2 4.3Å; W440-F1545 HydrophobicContact CE3-CE2 4.35Å; W440-F1545 HydrophobicContact CH2-CE1 4.16Å; W440-F1545 HydrophobicContact CH2-CE2 4.37Å; W440-F1545 HydrophobicContact CH2-CZ 4.01Å; W440-F1545 HydrophobicContact CZ3-CD1 4.01Å; W440-F1545 AromaticContact CZ3-CD2 3.8Å; W440-F1545 HydrophobicContact CZ3-CD2 3.8Å; W440-F1545 AromaticContact CZ3-CE1 3.91Å; W440-F1545 HydrophobicContact CZ3-CE1 3.91Å; W440-F1545 AromaticContact CZ3-CE2 3.7Å; W440-F1545 HydrophobicContact CZ3-CE2 3.7Å; W440-F1545 AromaticContact CZ3-CG 3.94Å; W440-F1545 HydrophobicContact CZ3-CG 3.94Å; W440-F1545 AromaticContact CZ3-CZ 3.73Å; W440-F1545 HydrophobicContact CZ3-CZ 3.73Å; V1541-F1545 HydrophobicContact CG1-CD2 4.32Å; V1541-F1545 WeakPolarHBondContact O-CA 3.33Å; V1541-F1545 PolarHBondContact O-N 3.46Å; G1542-F1545 VanDerWaalsContact O-CB 3.3Å; G1542-F1545 WeakPolarHBondContact O-CB 3.38Å; G1542-F1545 PolarHBondContact O-N 3.02Å; G1542-F1545 VanDerWaalsContact O-N 3.12Å; F1545-T1547 VanDerWaalsContact C-N 3.28Å; F1545-T1547 PolarHBondContact O-N 3.3Å; F1545-V1548 WeakPolarHBondContact O-CB 3.43Å; F1545-V1548 PolarHBondContact O-N 3.3Å; F1545-Q1549 HydrophobicContact CD1-CG 4.22Å; F1545-Q1549 HydrophobicContact CE1-CG 4.41Å; F1545-Q1549 PolarHBondContact O-N 2.78Å; F1545-Q1549 VanDerWaalsContact O-N 3.07Å; F1545-M1586 HydrophobicContact CD2-CE 4.27Å; F1545-M1586 HydrophobicContact CE2-CB 4.03Å; F1545-M1586 HydrophobicContact CE2-CE 4.11Å; F1545-M1586 HydrophobicContact CE2-CG 3.79Å; F1545-M1586 HydrophobicContact CE2-SD 4.06Å; F1545-M1586 HydrophobicContact CZ-CB 4.04Å; F1545-M1586 HydrophobicContact CZ-CG 4.19Å; F1545-V1589 HydrophobicContact CE1-CB 4.29Å; F1545-V1589 HydrophobicContact CE1-CG1 3.86Å; F1545-L1590 HydrophobicContact CD1-CD2 4.46Å; F1545-L1590 HydrophobicContact CE1-CD2 3.59Å; F1545-L1590 HydrophobicContact CE1-CG 3.99Å; F1545-L1590 HydrophobicContact CZ-CD1 4.28Å; F1545-L1590 HydrophobicContact CZ-CD2 3.72Å; F1545-L1590 HydrophobicContact CZ-CG 3.7Å |
| 1546 | D | 83.7 | Confident | 85.2 | Confident | 10 Ų | 10 | 27.1 Ų | 27.1 | 5% | 0.053 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.4 | -28.9 | 171.7 | 69.3 | -73.6 | 0 | 0 | 0 | 112.6 | L384 R439 M1544 Q1549 R1550 | L384-D1546 HydrophobicContact CD1-CB 4.27Å; L384-D1546 HydrophobicContact CD2-CB 3.96Å; R439-D1546 IonicContact CZ-OD1 2.93Å; R439-D1546 IonicContact NH1-OD1 3.25Å; R439-D1546 PolarHBondContact NH1-OD1 3.31Å; R439-D1546 IonicContact NH2-OD1 3.99Å; M1544-D1546 PolarHBondContact O-N 3.01Å; M1544-D1546 VanDerWaalsContact O-N 3.12Å; D1546-Q1549 PolarHBondContact O-N 2.74Å; D1546-R1550 VanDerWaalsContact O-CG 3.24Å; D1546-R1550 WeakPolarHBondContact O-CG 3.11Å; D1546-R1550 PolarHBondContact O-N 3.02Å; D1546-R1550 IonicContact OD2-CZ 2.76Å; D1546-R1550 IonicContact OD2-NE 3.41Å; D1546-R1550 PolarHBondContact OD2-NE 2.89Å; D1546-R1550 IonicContact OD2-NH2 3.97Å; D1546-R1550 PolarHBondContact OD2-NH2 3.39Å |
| 1547 | T | 85.5 | Confident | 86 | Confident | 9 Ų | 9 | 29.6 Ų | 29.6 | 6% | 0.055 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.2 | -44.5 | 173.6 | -52.4 | 0 | 0 | 0 | 0 | 110 | E1498 L1501 M1544 F1545 Q1549 R1550 | E1498-T1547 HydrophobicContact CG-CG2 4.04Å; L1501-T1547 HydrophobicContact CD1-CG2 3.78Å; M1544-T1547 VanDerWaalsContact O-CB 3.26Å; M1544-T1547 WeakPolarHBondContact O-CB 3.45Å; M1544-T1547 PolarHBondContact O-N 2.97Å; M1544-T1547 PolarHBondContact O-OG1 3.48Å; F1545-T1547 VanDerWaalsContact C-N 3.28Å; F1545-T1547 PolarHBondContact O-N 3.3Å; T1547-Q1549 VanDerWaalsContact C-N 3.28Å; T1547-Q1549 PolarHBondContact O-N 3.48Å; T1547-R1550 PolarHBondContact O-N 3.38Å; T1547-R1550 VanDerWaalsContact O-N 3.13Å |
| 1548 | V | 88 | Confident | 86.5 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58 | -40 | 174.5 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | L1501 F1545 Q1554 T1555 W1558 L1590 | L1501-V1548 HydrophobicContact CD1-CG2 3.87Å; L1501-V1548 HydrophobicContact CD2-CG2 3.8Å; F1545-V1548 WeakPolarHBondContact O-CB 3.43Å; F1545-V1548 PolarHBondContact O-N 3.3Å; V1548-Q1554 HydrophobicContact CG1-CB 4.45Å; V1548-T1555 PolarHBondContact O-N 2.92Å; V1548-T1555 PolarHBondContact O-OG1 3.25Å; V1548-W1558 HydrophobicContact CG1-CB 3.87Å; V1548-W1558 HydrophobicContact CG1-CG 3.84Å; V1548-W1558 HydrophobicContact CG2-CG 4.35Å; V1548-L1590 HydrophobicContact CG1-CD2 3.97Å |
| 1549 | Q | 85.1 | Confident | 86.7 | Confident | 31 Ų | 31 | 29.2 Ų | 29.2 | 15% | 0.145 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -74.2 | -24.6 | 177.9 | -74.4 | -172 | -30.5 | 0 | 0 | 114.6 | L384 F1545 D1546 T1547 S1551 L1590 | L384-Q1549 HydrophobicContact CD1-CB 3.64Å; F1545-Q1549 HydrophobicContact CD1-CG 4.22Å; F1545-Q1549 HydrophobicContact CE1-CG 4.41Å; F1545-Q1549 PolarHBondContact O-N 2.78Å; F1545-Q1549 VanDerWaalsContact O-N 3.07Å; D1546-Q1549 PolarHBondContact O-N 2.74Å; T1547-Q1549 VanDerWaalsContact C-N 3.28Å; T1547-Q1549 PolarHBondContact O-N 3.48Å; Q1549-S1551 VanDerWaalsContact C-N 3.29Å; Q1549-S1551 PolarHBondContact O-N 3.03Å; Q1549-L1590 HydrophobicContact CG-CD2 4.08Å |
| 1550 | R | 81 | Confident | 87.3 | Confident | 146 Ų | 146 | 31.2 Ų | 31.2 | 55% | 0.551 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -66.6 | -29.2 | 176.6 | -74.1 | 165.8 | -158.7 | -151 | 10.8 | 112.6 | L384 D1494 D1546 T1547 | L384-R1550 HydrophobicContact CD1-CG 4.36Å; D1494-R1550 IonicContact OD2-NH1 3.73Å; D1494-R1550 PolarHBondContact OD2-NH1 2.95Å; D1546-R1550 VanDerWaalsContact O-CG 3.24Å; D1546-R1550 WeakPolarHBondContact O-CG 3.11Å; D1546-R1550 PolarHBondContact O-N 3.02Å; D1546-R1550 IonicContact OD2-CZ 2.76Å; D1546-R1550 IonicContact OD2-NE 3.41Å; D1546-R1550 PolarHBondContact OD2-NE 2.89Å; D1546-R1550 IonicContact OD2-NH2 3.97Å; D1546-R1550 PolarHBondContact OD2-NH2 3.39Å; T1547-R1550 PolarHBondContact O-N 3.38Å; T1547-R1550 VanDerWaalsContact O-N 3.13Å |
| 1551 | S | 83.3 | Confident | 87.9 | Confident | 38 Ų | 38 | 31.3 Ų | 31.3 | 27% | 0.266 | 16% | 0.157 | S | C | . | . | trans | -109.4 | 117.9 | -179.1 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | Q1549 Q1553 Q1554 T1555 | Q1549-S1551 VanDerWaalsContact C-N 3.29Å; Q1549-S1551 PolarHBondContact O-N 3.03Å; S1551-Q1553 PolarHBondContact O-N 3.11Å; S1551-Q1553 VanDerWaalsContact O-N 3.16Å; S1551-Q1553 PolarHBondContact OG-N 2.93Å; S1551-Q1554 PolarHBondContact O-N 3.31Å; S1551-Q1554 PolarHBondContact OG-N 3.5Å; S1551-T1555 WeakPolarHBondContact O-CB 3.45Å; S1551-T1555 PolarHBondContact O-N 3.41Å; S1551-T1555 PolarHBondContact O-OG1 3.01Å | ||
| 1552 | T | 83.7 | Confident | 88.2 | Confident | 80 Ų | 80 | 31.3 Ų | 31.3 | 49% | 0.491 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59.2 | -27.7 | 175 | -39.2 | 0 | 0 | 0 | 0 | 112.3 | T1556 A1613 | T1552-T1556 WeakPolarHBondContact O-CB 3.43Å; T1552-T1556 PolarHBondContact O-N 3.49Å; T1552-T1556 PolarHBondContact O-OG1 2.97Å; T1552-A1613 HydrophobicContact CG2-CB 3.74Å |
| 1553 | Q | 87.6 | Confident | 88.6 | Confident | 127 Ų | 127 | 31.4 Ų | 31.4 | 59% | 0.593 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -71.3 | -54.5 | 174.3 | 179.7 | 169.6 | -12.8 | 0 | 0 | 111 | S1551 T1555 T1556 E1557 | S1551-Q1553 PolarHBondContact O-N 3.11Å; S1551-Q1553 VanDerWaalsContact O-N 3.16Å; S1551-Q1553 PolarHBondContact OG-N 2.93Å; Q1553-T1555 VanDerWaalsContact C-N 3.34Å; Q1553-T1555 PolarHBondContact O-N 3.46Å; Q1553-T1556 WeakPolarHBondContact O-CA 3.36Å; Q1553-T1556 WeakPolarHBondContact O-CB 3.42Å; Q1553-T1556 PolarHBondContact O-N 3.43Å; Q1553-E1557 HydrophobicContact CG-CG 4.43Å; Q1553-E1557 VanDerWaalsContact CG-OE1 3.24Å; Q1553-E1557 WeakPolarHBondContact CG-OE1 3.32Å; Q1553-E1557 PolarHBondContact NE2-OE1 3.35Å; Q1553-E1557 PolarHBondContact O-N 3.29Å |
| 1554 | Q | 88.5 | Confident | 89.2 | Confident | 31 Ų | 31 | 33.2 Ų | 33.2 | 15% | 0.145 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.4 | -43.8 | 178.2 | -67.1 | -179.5 | 18.6 | 0 | 0 | 111.5 | E1498 V1548 S1551 T1556 E1557 W1558 | E1498-Q1554 PolarHBondContact OE1-NE2 3.1Å; V1548-Q1554 HydrophobicContact CG1-CB 4.45Å; S1551-Q1554 PolarHBondContact O-N 3.31Å; S1551-Q1554 PolarHBondContact OG-N 3.5Å; Q1554-T1556 PolarHBondContact O-N 2.82Å; Q1554-E1557 PolarHBondContact O-N 2.97Å; Q1554-W1558 WeakPolarHBondContact O-CB 3.21Å; Q1554-W1558 PolarHBondContact O-N 2.8Å |
| 1555 | T | 90.4 | Very high | 89.6 | Confident | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.043 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -52.3 | -39.8 | 172.2 | -72.8 | 0 | 0 | 0 | 0 | 112 | V1548 S1551 Q1553 A1559 L1590 T1594 | V1548-T1555 PolarHBondContact O-N 2.92Å; V1548-T1555 PolarHBondContact O-OG1 3.25Å; S1551-T1555 WeakPolarHBondContact O-CB 3.45Å; S1551-T1555 PolarHBondContact O-N 3.41Å; S1551-T1555 PolarHBondContact O-OG1 3.01Å; Q1553-T1555 VanDerWaalsContact C-N 3.34Å; Q1553-T1555 PolarHBondContact O-N 3.46Å; T1555-A1559 WeakPolarHBondContact O-CB 3.27Å; T1555-A1559 PolarHBondContact O-N 3.03Å; T1555-A1559 VanDerWaalsContact O-N 3.13Å; T1555-L1590 HydrophobicContact CG2-CB 4.42Å; T1555-L1590 HydrophobicContact CG2-CD2 4.32Å; T1555-T1594 HydrophobicContact CG2-CG2 3.91Å |
| 1556 | T | 91.5 | Very high | 89.8 | Confident | 20 Ų | 20 | 33.5 Ų | 33.5 | 12% | 0.123 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -76.3 | -40.4 | 179.9 | -56.6 | 0 | 0 | 0 | 0 | 112.3 | T1552 Q1553 Q1554 Q1560 L1617 K1620 | T1552-T1556 WeakPolarHBondContact O-CB 3.43Å; T1552-T1556 PolarHBondContact O-N 3.49Å; T1552-T1556 PolarHBondContact O-OG1 2.97Å; Q1553-T1556 WeakPolarHBondContact O-CA 3.36Å; Q1553-T1556 WeakPolarHBondContact O-CB 3.42Å; Q1553-T1556 PolarHBondContact O-N 3.43Å; Q1554-T1556 PolarHBondContact O-N 2.82Å; T1556-Q1560 WeakPolarHBondContact O-CG 3.36Å; T1556-Q1560 PolarHBondContact O-N 3.38Å; T1556-L1617 HydrophobicContact CG2-CD1 4.19Å; T1556-K1620 HydrophobicContact CG2-CD 3.3Å |
| 1557 | E | 92.6 | Very high | 90.1 | Very high | 75 Ų | 75 | 34 Ų | 34 | 35% | 0.35 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -68.3 | -49.2 | -179.6 | -72.2 | 163.5 | 172.5 | 0 | 0 | 110.8 | Q1553 Q1554 A1559 Q1560 L1561 | Q1553-E1557 HydrophobicContact CG-CG 4.43Å; Q1553-E1557 VanDerWaalsContact CG-OE1 3.24Å; Q1553-E1557 WeakPolarHBondContact CG-OE1 3.32Å; Q1553-E1557 PolarHBondContact NE2-OE1 3.35Å; Q1553-E1557 PolarHBondContact O-N 3.29Å; Q1554-E1557 PolarHBondContact O-N 2.97Å; E1557-A1559 PolarHBondContact O-N 2.9Å; E1557-Q1560 PolarHBondContact O-N 3.45Å; E1557-L1561 PolarHBondContact O-N 3.19Å |
| 1558 | W | 95.1 | Very high | 90.2 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 3% | 0.034 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -39.7 | 173.5 | -81.1 | 102.3 | 0 | 0 | 0 | 113.1 | L1501 L1504 H1505 V1541 V1548 Q1554 Q1560 L1561 L1562 L1590 | L1501-W1558 HydrophobicContact CD2-CZ2 3.95Å; L1501-W1558 WeakPolarHBondContact O-CZ2 3.39Å; L1504-W1558 HydrophobicContact CB-CH2 4.22Å; H1505-W1558 HydrophobicContact CB-CH2 3.98Å; H1505-W1558 HydrophobicContact CB-CZ2 3.63Å; H1505-W1558 AromaticContact CD2-CD2 3.97Å; H1505-W1558 AromaticContact CD2-CE2 3.89Å; V1541-W1558 HydrophobicContact CB-CH2 4.33Å; V1541-W1558 HydrophobicContact CG1-CD2 4.34Å; V1541-W1558 HydrophobicContact CG1-CE3 4.18Å; V1541-W1558 HydrophobicContact CG1-CH2 4.05Å; V1541-W1558 HydrophobicContact CG1-CZ2 4.17Å; V1541-W1558 HydrophobicContact CG1-CZ3 4.04Å; V1541-W1558 HydrophobicContact CG2-CH2 3.29Å; V1541-W1558 HydrophobicContact CG2-CZ2 3.83Å; V1541-W1558 HydrophobicContact CG2-CZ3 3.79Å; V1548-W1558 HydrophobicContact CG1-CB 3.87Å; V1548-W1558 HydrophobicContact CG1-CG 3.84Å; V1548-W1558 HydrophobicContact CG2-CG 4.35Å; Q1554-W1558 WeakPolarHBondContact O-CB 3.21Å; Q1554-W1558 PolarHBondContact O-N 2.8Å; W1558-Q1560 VanDerWaalsContact C-N 3.33Å; W1558-Q1560 PolarHBondContact O-N 3.43Å; W1558-L1561 HydrophobicContact CE3-CD2 4.11Å; W1558-L1561 HydrophobicContact CZ3-CD2 3.92Å; W1558-L1561 PolarHBondContact O-N 3.46Å; W1558-L1562 WeakPolarHBondContact O-CB 3.32Å; W1558-L1562 VanDerWaalsContact O-CG 3.24Å; W1558-L1562 WeakPolarHBondContact O-CG 3.45Å; W1558-L1562 PolarHBondContact O-N 3.03Å; W1558-L1590 HydrophobicContact CB-CD1 4.15Å |
| 1559 | A | 94.2 | Very high | 90 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.3 | -34.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1555 E1557 L1563 L1587 L1590 L1617 L1621 | T1555-A1559 WeakPolarHBondContact O-CB 3.27Å; T1555-A1559 PolarHBondContact O-N 3.03Å; T1555-A1559 VanDerWaalsContact O-N 3.13Å; E1557-A1559 PolarHBondContact O-N 2.9Å; A1559-L1563 VanDerWaalsContact O-CB 3.26Å; A1559-L1563 WeakPolarHBondContact O-CB 3.49Å; A1559-L1563 PolarHBondContact O-N 2.91Å; A1559-L1563 VanDerWaalsContact O-N 3.14Å; A1559-L1587 HydrophobicContact CB-CD1 3.89Å; A1559-L1590 HydrophobicContact CB-CD1 3.95Å; A1559-L1617 HydrophobicContact CB-CD1 3.76Å; A1559-L1621 HydrophobicContact CB-CD2 4.3Å; A1559-L1621 WeakPolarHBondContact O-CD2 3.18Å |
| 1560 | Q | 94.1 | Very high | 90.1 | Very high | 49 Ų | 49 | 34.4 Ų | 34.4 | 23% | 0.229 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.5 | -40.5 | 172.1 | -73.2 | -174.5 | -89.4 | 0 | 0 | 111.6 | T1556 E1557 W1558 L1563 E1564 K1620 L1621 D1624 | T1556-Q1560 WeakPolarHBondContact O-CG 3.36Å; T1556-Q1560 PolarHBondContact O-N 3.38Å; E1557-Q1560 PolarHBondContact O-N 3.45Å; W1558-Q1560 VanDerWaalsContact C-N 3.33Å; W1558-Q1560 PolarHBondContact O-N 3.43Å; Q1560-L1563 PolarHBondContact O-N 3.19Å; Q1560-E1564 WeakPolarHBondContact O-CB 3.42Å; Q1560-E1564 PolarHBondContact O-N 2.89Å; Q1560-K1620 HydrophobicContact CG-CB 4.39Å; Q1560-L1621 HydrophobicContact CG-CD2 4.37Å; Q1560-D1624 PolarHBondContact NE2-OD2 3.06Å |
| 1561 | L | 94.7 | Very high | 90.4 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.5 | -45.6 | 177.7 | 179.8 | 56.1 | 0 | 0 | 0 | 112.7 | H1505 V1508 H1509 E1557 W1558 L1563 E1564 I1565 | H1505-L1561 HydrophobicContact CB-CD2 4.48Å; V1508-L1561 HydrophobicContact CB-CD2 4.1Å; V1508-L1561 HydrophobicContact CG1-CD1 4.24Å; V1508-L1561 HydrophobicContact CG1-CD2 3.93Å; V1508-L1561 HydrophobicContact CG1-CG 4.06Å; H1509-L1561 HydrophobicContact CB-CD1 3.85Å; H1509-L1561 HydrophobicContact CB-CD2 4.43Å; E1557-L1561 PolarHBondContact O-N 3.19Å; W1558-L1561 HydrophobicContact CE3-CD2 4.11Å; W1558-L1561 HydrophobicContact CZ3-CD2 3.92Å; W1558-L1561 PolarHBondContact O-N 3.46Å; L1561-L1563 VanDerWaalsContact C-N 3.31Å; L1561-L1563 PolarHBondContact O-N 3.47Å; L1561-E1564 WeakPolarHBondContact O-CA 3.42Å; L1561-E1564 WeakPolarHBondContact O-CB 3.41Å; L1561-E1564 PolarHBondContact O-N 3.22Å; L1561-I1565 WeakPolarHBondContact O-CG1 3.45Å; L1561-I1565 PolarHBondContact O-N 3.43Å |
| 1562 | L | 95.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 175.1 | -70.9 | 165.6 | 0 | 0 | 0 | 111.5 | L1538 W1558 E1564 I1565 V1583 M1586 L1590 | L1538-L1562 HydrophobicContact CD2-CD2 3.85Å; W1558-L1562 WeakPolarHBondContact O-CB 3.32Å; W1558-L1562 VanDerWaalsContact O-CG 3.24Å; W1558-L1562 WeakPolarHBondContact O-CG 3.45Å; W1558-L1562 PolarHBondContact O-N 3.03Å; L1562-E1564 VanDerWaalsContact C-N 3.31Å; L1562-E1564 PolarHBondContact O-N 3.49Å; L1562-I1565 HydrophobicContact CD2-CD1 4.36Å; L1562-V1583 HydrophobicContact CB-CG1 4.08Å; L1562-V1583 HydrophobicContact CD2-CG1 3.97Å; L1562-V1583 HydrophobicContact CD2-CG2 4.46Å; L1562-V1583 VanDerWaalsContact O-CG1 3.31Å; L1562-V1583 WeakPolarHBondContact O-CG1 3.42Å; L1562-M1586 HydrophobicContact CD1-CB 3.82Å; L1562-M1586 HydrophobicContact CD2-CB 4.29Å; L1562-M1586 HydrophobicContact CD2-SD 3.97Å; L1562-L1590 HydrophobicContact CD1-CD1 3.82Å |
| 1563 | L | 93.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.2 | -39.2 | 171 | 176.3 | 62.9 | 0 | 0 | 0 | 111.7 | A1559 Q1560 L1561 I1565 I1566 I1567 L1621 D1624 L1625 V1636 | A1559-L1563 VanDerWaalsContact O-CB 3.26Å; A1559-L1563 WeakPolarHBondContact O-CB 3.49Å; A1559-L1563 PolarHBondContact O-N 2.91Å; A1559-L1563 VanDerWaalsContact O-N 3.14Å; Q1560-L1563 PolarHBondContact O-N 3.19Å; L1561-L1563 VanDerWaalsContact C-N 3.31Å; L1561-L1563 PolarHBondContact O-N 3.47Å; L1563-I1565 PolarHBondContact O-N 3.19Å; L1563-I1566 PolarHBondContact O-N 2.95Å; L1563-I1567 HydrophobicContact CD1-CD1 3.74Å; L1563-I1567 HydrophobicContact CD1-CG1 3.98Å; L1563-I1567 HydrophobicContact CD2-CD1 3.97Å; L1563-I1567 HydrophobicContact CG-CD1 3.58Å; L1563-I1567 HydrophobicContact CG-CG1 4.15Å; L1563-I1567 WeakPolarHBondContact O-CG1 3.32Å; L1563-I1567 PolarHBondContact O-N 3.48Å; L1563-L1621 HydrophobicContact CB-CD2 4.13Å; L1563-L1621 HydrophobicContact CD2-CB 3.97Å; L1563-L1621 HydrophobicContact CD2-CD2 3.58Å; L1563-L1621 HydrophobicContact CD2-CG 4.37Å; L1563-L1621 HydrophobicContact CG-CD2 4.46Å; L1563-D1624 HydrophobicContact CD2-CB 4.29Å; L1563-L1625 HydrophobicContact CD1-CD2 4.06Å; L1563-L1625 HydrophobicContact CD1-CG 4.15Å; L1563-L1625 HydrophobicContact CD2-CG 4.33Å; L1563-V1636 HydrophobicContact CD1-CG1 3.59Å |
| 1564 | E | 92.2 | Very high | 90.3 | Very high | 55 Ų | 55 | 28.8 Ų | 28.8 | 26% | 0.257 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -68.9 | -32.5 | -177.2 | -159.9 | 168.9 | -156.6 | 0 | 0 | 113.3 | H1509 V1512 R1516 Q1560 L1561 L1562 I1566 I1567 S1568 | H1509-E1564 IonicContact CD2-OE2 2.68Å; V1512-E1564 HydrophobicContact CG1-CG 4.04Å; R1516-E1564 IonicContact CZ-OE1 3.01Å; R1516-E1564 IonicContact NH1-OE1 2.68Å; R1516-E1564 PolarHBondContact NH1-OE1 2.61Å; R1516-E1564 VanDerWaalsContact NH2-CD 3.32Å; R1516-E1564 IonicContact NH2-OE1 2.69Å; R1516-E1564 PolarHBondContact NH2-OE1 3.06Å; Q1560-E1564 WeakPolarHBondContact O-CB 3.42Å; Q1560-E1564 PolarHBondContact O-N 2.89Å; L1561-E1564 WeakPolarHBondContact O-CA 3.42Å; L1561-E1564 WeakPolarHBondContact O-CB 3.41Å; L1561-E1564 PolarHBondContact O-N 3.22Å; L1562-E1564 VanDerWaalsContact C-N 3.31Å; L1562-E1564 PolarHBondContact O-N 3.49Å; E1564-I1566 VanDerWaalsContact C-N 3.27Å; E1564-I1566 PolarHBondContact O-N 2.84Å; E1564-I1567 PolarHBondContact O-N 2.68Å; E1564-S1568 WeakPolarHBondContact O-CB 3.38Å; E1564-S1568 PolarHBondContact O-N 2.88Å; E1564-S1568 PolarHBondContact O-OG 3.31Å |
| 1565 | I | 92.9 | Very high | 90 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.3 | -38.6 | 170.6 | -64 | 166.8 | 0 | 0 | 0 | 111.6 | V1508 V1512 L1534 L1561 L1562 L1563 S1568 T1570 V1571 V1583 | V1508-I1565 HydrophobicContact CG1-CD1 3.69Å; V1508-I1565 HydrophobicContact CG1-CG1 4.26Å; V1512-I1565 HydrophobicContact CG2-CB 4.31Å; V1512-I1565 HydrophobicContact CG2-CG1 3.57Å; L1534-I1565 HydrophobicContact CD1-CD1 4.45Å; L1534-I1565 HydrophobicContact CD2-CG2 4.16Å; L1561-I1565 WeakPolarHBondContact O-CG1 3.45Å; L1561-I1565 PolarHBondContact O-N 3.43Å; L1562-I1565 HydrophobicContact CD2-CD1 4.36Å; L1563-I1565 PolarHBondContact O-N 3.19Å; I1565-S1568 PolarHBondContact O-OG 3.01Å; I1565-T1570 PolarHBondContact O-N 3.24Å; I1565-T1570 VanDerWaalsContact O-N 3.15Å; I1565-V1571 HydrophobicContact CG2-CB 3.84Å; I1565-V1571 HydrophobicContact CG2-CG2 3.54Å; I1565-V1571 PolarHBondContact O-N 3.45Å; I1565-V1583 HydrophobicContact CG2-CG2 4.49Å |
| 1566 | I | 92.5 | Very high | 89.8 | Confident | 8 Ų | 8 | 31.3 Ų | 31.3 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -78.6 | -44.5 | 177.5 | -56.7 | 173.8 | 0 | 0 | 0 | 110.2 | L1563 E1564 S1568 G1569 F1580 V1583 L1633 V1636 | L1563-I1566 PolarHBondContact O-N 2.95Å; E1564-I1566 VanDerWaalsContact C-N 3.27Å; E1564-I1566 PolarHBondContact O-N 2.84Å; I1566-S1568 VanDerWaalsContact C-N 3.29Å; I1566-S1568 PolarHBondContact O-N 3.24Å; I1566-G1569 PolarHBondContact O-N 3.42Å; I1566-F1580 HydrophobicContact CD1-CD2 4.4Å; I1566-F1580 HydrophobicContact CD1-CE2 4.01Å; I1566-F1580 HydrophobicContact CG1-CD2 4.39Å; I1566-F1580 HydrophobicContact CG1-CE2 4.3Å; I1566-F1580 HydrophobicContact CG2-CE2 3.98Å; I1566-V1583 HydrophobicContact CD1-CG1 3.91Å; I1566-V1583 HydrophobicContact CG1-CG1 3.94Å; I1566-L1633 HydrophobicContact CG2-CD2 3.92Å; I1566-V1636 HydrophobicContact CD1-CG2 3.72Å; I1566-V1636 HydrophobicContact CG2-CG2 4.14Å |
| 1567 | I | 90.3 | Very high | 89.7 | Confident | 19 Ų | 19 | 34.2 Ų | 34.2 | 10% | 0.097 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.9 | -26.2 | -178.2 | -73 | -177 | 0 | 0 | 0 | 113 | L1563 E1564 G1569 D1624 L1625 R1628 L1633 | L1563-I1567 HydrophobicContact CD1-CD1 3.74Å; L1563-I1567 HydrophobicContact CD1-CG1 3.98Å; L1563-I1567 HydrophobicContact CD2-CD1 3.97Å; L1563-I1567 HydrophobicContact CG-CD1 3.58Å; L1563-I1567 HydrophobicContact CG-CG1 4.15Å; L1563-I1567 WeakPolarHBondContact O-CG1 3.32Å; L1563-I1567 PolarHBondContact O-N 3.48Å; E1564-I1567 PolarHBondContact O-N 2.68Å; I1567-G1569 VanDerWaalsContact C-N 3.33Å; I1567-D1624 WeakPolarHBondContact CD1-O 3.36Å; I1567-L1625 HydrophobicContact CD1-CD2 4.02Å; I1567-L1625 HydrophobicContact CD1-CG 4.19Å; I1567-L1625 HydrophobicContact CG1-CD2 4.37Å; I1567-R1628 PolarHBondContact O-NH1 3.25Å; I1567-R1628 VanDerWaalsContact O-NH1 3.1Å; I1567-L1633 HydrophobicContact CG1-CD2 3.93Å |
| 1568 | S | 87.3 | Confident | 89.5 | Confident | 22 Ų | 22 | 35.3 Ų | 35.3 | 15% | 0.154 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -14 | 171.9 | 59.4 | 0 | 0 | 0 | 0 | 113.9 | E1564 I1565 I1566 T1570 | E1564-S1568 WeakPolarHBondContact O-CB 3.38Å; E1564-S1568 PolarHBondContact O-N 2.88Å; E1564-S1568 PolarHBondContact O-OG 3.31Å; I1565-S1568 PolarHBondContact O-OG 3.01Å; I1566-S1568 VanDerWaalsContact C-N 3.29Å; I1566-S1568 PolarHBondContact O-N 3.24Å; S1568-T1570 PolarHBondContact O-N 3.18Å; S1568-T1570 WeakPolarHBondContact OG-CB 3.45Å; S1568-T1570 PolarHBondContact OG-N 3.04Å; S1568-T1570 PolarHBondContact OG-OG1 3.37Å |
| 1569 | G | 84.6 | Confident | 89.2 | Confident | 27 Ų | 27 | 34.9 Ų | 34.9 | 28% | 0.278 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 24.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | W1515 I1566 I1567 V1571 | W1515-G1569 WeakPolarHBondContact CZ2-O 3.26Å; W1515-G1569 VanDerWaalsContact NE1-C 3.34Å; W1515-G1569 PolarHBondContact NE1-O 3.5Å; I1566-G1569 PolarHBondContact O-N 3.42Å; I1567-G1569 VanDerWaalsContact C-N 3.33Å; G1569-V1571 VanDerWaalsContact C-N 3.29Å |
| 1570 | T | 86.1 | Confident | 89.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -69.6 | -33.5 | 172.3 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | I1511 W1515 M1530 H1531 L1534 I1565 S1568 | I1511-T1570 HydrophobicContact CG2-CG2 4.33Å; W1515-T1570 HydrophobicContact CB-CG2 4.33Å; W1515-T1570 WeakPolarHBondContact CB-OG1 3.44Å; W1515-T1570 HydrophobicContact CD2-CG2 4.22Å; W1515-T1570 HydrophobicContact CE3-CG2 4.49Å; W1515-T1570 HydrophobicContact CG-CG2 4.16Å; W1515-T1570 VanDerWaalsContact CG-OG1 3.27Å; M1530-T1570 HydrophobicContact CE-CG2 3.84Å; M1530-T1570 HydrophobicContact SD-CG2 4.2Å; H1531-T1570 PolarHBondContact NE2-O 2.94Å; L1534-T1570 HydrophobicContact CD2-CG2 4.19Å; I1565-T1570 PolarHBondContact O-N 3.24Å; I1565-T1570 VanDerWaalsContact O-N 3.15Å; S1568-T1570 PolarHBondContact O-N 3.18Å; S1568-T1570 WeakPolarHBondContact OG-CB 3.45Å; S1568-T1570 PolarHBondContact OG-N 3.04Å; S1568-T1570 PolarHBondContact OG-OG1 3.37Å |
| 1571 | V | 87.5 | Confident | 89.2 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -136.3 | 124.7 | 170.3 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | L1534 I1565 G1569 L1579 F1580 | L1534-V1571 HydrophobicContact CD2-CG2 3.64Å; I1565-V1571 HydrophobicContact CG2-CB 3.84Å; I1565-V1571 HydrophobicContact CG2-CG2 3.54Å; I1565-V1571 PolarHBondContact O-N 3.45Å; G1569-V1571 VanDerWaalsContact C-N 3.29Å; V1571-L1579 HydrophobicContact CG1-CB 3.84Å; V1571-L1579 HydrophobicContact CG1-CD2 4.26Å; V1571-L1579 HydrophobicContact CG1-CG 3.91Å; V1571-L1579 HydrophobicContact CG2-CD2 3.65Å; V1571-L1579 HydrophobicContact CG2-CG 3.94Å; V1571-F1580 HydrophobicContact CG1-CB 3.92Å; V1571-F1580 VanDerWaalsContact CG1-N 3.33Å |
| 1572 | D | 85.2 | Confident | 89 | Confident | 48 Ų | 48 | 34.2 Ų | 34.2 | 26% | 0.257 | 19% | 0.185 | S | C | . | . | trans | -137.9 | 170.4 | 172.9 | 82 | 3 | 0 | 0 | 0 | 111.9 | Q1574 S1575 N1576 | D1572-Q1574 PolarHBondContact O-N 3.4Å; D1572-Q1574 VanDerWaalsContact O-N 3.1Å; D1572-Q1574 PolarHBondContact OD1-N 3.11Å; D1572-S1575 PolarHBondContact N-OG 3.45Å; D1572-S1575 PolarHBondContact O-N 2.92Å; D1572-S1575 PolarHBondContact O-OG 2.99Å; D1572-S1575 VanDerWaalsContact OD1-CB 3.27Å; D1572-S1575 WeakPolarHBondContact OD1-CB 3.43Å; D1572-S1575 PolarHBondContact OD1-N 2.96Å; D1572-S1575 PolarHBondContact OD1-OG 3.29Å; D1572-N1576 CarbonylContact O-C 3.03Å; D1572-N1576 PolarHBondContact O-N 3.46Å; D1572-N1576 VanDerWaalsContact O-N 3.13Å | ||
| 1573 | M | 85.4 | Confident | 89 | Confident | 56 Ų | 56 | 34.1 Ų | 34.1 | 28% | 0.276 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -6.1 | -173.1 | -161.9 | 164.1 | 50.7 | 0 | 0 | 114.5 | N1577 F1580 D1631 S1632 K1635 | M1573-N1577 WeakPolarHBondContact CG-ND2 3.48Å; M1573-N1577 PolarHBondContact O-ND2 3.22Å; M1573-F1580 HydrophobicContact CB-CD1 3.77Å; M1573-F1580 HydrophobicContact CB-CE1 3.91Å; M1573-F1580 HydrophobicContact CB-CG 4.2Å; M1573-F1580 HydrophobicContact CB-CZ 4.47Å; M1573-F1580 HydrophobicContact CG-CD1 3.86Å; M1573-F1580 HydrophobicContact CG-CE1 3.99Å; M1573-F1580 HydrophobicContact SD-CD1 4.2Å; M1573-F1580 HydrophobicContact SD-CE1 3.75Å; M1573-D1631 HydrophobicContact CE-CB 4.21Å; M1573-D1631 WeakPolarHBondContact CE-O 3.27Å; M1573-S1632 WeakPolarHBondContact CB-OG 3.35Å; M1573-S1632 PolarHBondContact N-OG 3.36Å; M1573-S1632 VanDerWaalsContact N-OG 3.09Å; M1573-K1635 HydrophobicContact CE-CG 4.44Å; M1573-K1635 HydrophobicContact SD-CG 4.41Å |
| 1574 | Q | 83.2 | Confident | 89 | Confident | 169 Ų | 169 | 34.1 Ų | 34.1 | 79% | 0.79 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -32 | 177.4 | -64 | -174.2 | 3.3 | 0 | 0 | 112.9 | D1572 | D1572-Q1574 PolarHBondContact O-N 3.4Å; D1572-Q1574 VanDerWaalsContact O-N 3.1Å; D1572-Q1574 PolarHBondContact OD1-N 3.11Å |
| 1575 | S | 81.8 | Confident | 89.1 | Confident | 61 Ų | 61 | 31.6 Ų | 31.6 | 43% | 0.427 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -42.5 | -178.3 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | D1572 | D1572-S1575 PolarHBondContact N-OG 3.45Å; D1572-S1575 PolarHBondContact O-N 2.92Å; D1572-S1575 PolarHBondContact O-OG 2.99Å; D1572-S1575 VanDerWaalsContact OD1-CB 3.27Å; D1572-S1575 WeakPolarHBondContact OD1-CB 3.43Å; D1572-S1575 PolarHBondContact OD1-N 2.96Å; D1572-S1575 PolarHBondContact OD1-OG 3.29Å |
| 1576 | N | 86.7 | Confident | 89.1 | Confident | 30 Ų | 30 | 31.6 Ų | 31.6 | 16% | 0.16 | 17% | 0.173 | C | C | . | . | trans | -154.6 | 95 | 172.9 | -169.2 | -34.2 | 0 | 0 | 0 | 110.2 | D1572 E1578 L1579 F1580 | D1572-N1576 CarbonylContact O-C 3.03Å; D1572-N1576 PolarHBondContact O-N 3.46Å; D1572-N1576 VanDerWaalsContact O-N 3.13Å; N1576-E1578 PolarHBondContact OD1-N 3.38Å; N1576-L1579 HydrophobicContact CB-CB 4.05Å; N1576-L1579 VanDerWaalsContact CG-CB 3.45Å; N1576-L1579 VanDerWaalsContact OD1-CB 3.31Å; N1576-L1579 WeakPolarHBondContact OD1-CB 3.48Å; N1576-L1579 PolarHBondContact OD1-N 3.12Å; N1576-F1580 VanDerWaalsContact O-CB 3.29Å; N1576-F1580 WeakPolarHBondContact O-CB 3.12Å; N1576-F1580 PolarHBondContact O-N 3.14Å | ||
| 1577 | N | 89 | Confident | 89.1 | Confident | 82 Ų | 82 | 31.3 Ų | 31.3 | 44% | 0.439 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -66.3 | -40 | -174 | -160.9 | -76.5 | 0 | 0 | 0 | 112.9 | M1573 F1580 T1581 | M1573-N1577 WeakPolarHBondContact CG-ND2 3.48Å; M1573-N1577 PolarHBondContact O-ND2 3.22Å; N1577-F1580 WeakPolarHBondContact O-CB 3.26Å; N1577-F1580 PolarHBondContact O-N 3.39Å; N1577-T1581 PolarHBondContact O-N 2.94Å; N1577-T1581 PolarHBondContact O-OG1 3.44Å |
| 1578 | E | 87.4 | Confident | 89.2 | Confident | 98 Ų | 98 | 30.4 Ų | 30.4 | 46% | 0.458 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -66.2 | -42.8 | 179.3 | -172.3 | -157.5 | -176 | 0 | 0 | 111.7 | K1535 N1576 F1580 T1581 T1582 | K1535-E1578 WeakPolarHBondContact CE-OE1 3.26Å; K1535-E1578 IonicContact NZ-OE1 3.84Å; K1535-E1578 PolarHBondContact NZ-OE1 3.06Å; K1535-E1578 IonicContact NZ-OE2 3.95Å; K1535-E1578 PolarHBondContact NZ-OE2 3.19Å; N1576-E1578 PolarHBondContact OD1-N 3.38Å; E1578-F1580 VanDerWaalsContact C-N 3.34Å; E1578-T1581 PolarHBondContact O-OG1 3.14Å; E1578-T1582 WeakPolarHBondContact O-CB 3.42Å; E1578-T1582 PolarHBondContact O-N 3.34Å; E1578-T1582 PolarHBondContact O-OG1 2.87Å |
| 1579 | L | 89.9 | Confident | 89.2 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.7 | -33 | 174.7 | -165.9 | 59.9 | 0 | 0 | 0 | 111.2 | H1531 L1534 K1535 L1538 V1571 N1576 T1582 V1583 | H1531-L1579 HydrophobicContact CB-CD2 4.04Å; L1534-L1579 HydrophobicContact CB-CD2 4.47Å; L1534-L1579 HydrophobicContact CD2-CD2 4.22Å; L1534-L1579 HydrophobicContact CG-CD2 4.39Å; K1535-L1579 HydrophobicContact CB-CD1 3.81Å; K1535-L1579 HydrophobicContact CG-CD1 4.08Å; L1538-L1579 HydrophobicContact CD1-CD1 3.9Å; V1571-L1579 HydrophobicContact CG1-CB 3.84Å; V1571-L1579 HydrophobicContact CG1-CD2 4.26Å; V1571-L1579 HydrophobicContact CG1-CG 3.91Å; V1571-L1579 HydrophobicContact CG2-CD2 3.65Å; V1571-L1579 HydrophobicContact CG2-CG 3.94Å; N1576-L1579 HydrophobicContact CB-CB 4.05Å; N1576-L1579 VanDerWaalsContact CG-CB 3.45Å; N1576-L1579 VanDerWaalsContact OD1-CB 3.31Å; N1576-L1579 WeakPolarHBondContact OD1-CB 3.48Å; N1576-L1579 PolarHBondContact OD1-N 3.12Å; L1579-T1582 PolarHBondContact O-N 3.11Å; L1579-V1583 WeakPolarHBondContact O-CG2 3.04Å; L1579-V1583 PolarHBondContact O-N 3.21Å |
| 1580 | F | 94.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.5 | -47 | 174.2 | 174 | -103.8 | 0 | 0 | 0 | 112.1 | I1566 V1571 M1573 N1576 N1577 E1578 T1582 V1583 L1584 K1635 | I1566-F1580 HydrophobicContact CD1-CD2 4.4Å; I1566-F1580 HydrophobicContact CD1-CE2 4.01Å; I1566-F1580 HydrophobicContact CG1-CD2 4.39Å; I1566-F1580 HydrophobicContact CG1-CE2 4.3Å; I1566-F1580 HydrophobicContact CG2-CE2 3.98Å; V1571-F1580 HydrophobicContact CG1-CB 3.92Å; V1571-F1580 VanDerWaalsContact CG1-N 3.33Å; M1573-F1580 HydrophobicContact CB-CD1 3.77Å; M1573-F1580 HydrophobicContact CB-CE1 3.91Å; M1573-F1580 HydrophobicContact CB-CG 4.2Å; M1573-F1580 HydrophobicContact CB-CZ 4.47Å; M1573-F1580 HydrophobicContact CG-CD1 3.86Å; M1573-F1580 HydrophobicContact CG-CE1 3.99Å; M1573-F1580 HydrophobicContact SD-CD1 4.2Å; M1573-F1580 HydrophobicContact SD-CE1 3.75Å; N1576-F1580 VanDerWaalsContact O-CB 3.29Å; N1576-F1580 WeakPolarHBondContact O-CB 3.12Å; N1576-F1580 PolarHBondContact O-N 3.14Å; N1577-F1580 WeakPolarHBondContact O-CB 3.26Å; N1577-F1580 PolarHBondContact O-N 3.39Å; E1578-F1580 VanDerWaalsContact C-N 3.34Å; F1580-T1582 VanDerWaalsContact C-N 3.34Å; F1580-V1583 PolarHBondContact O-N 3.38Å; F1580-L1584 HydrophobicContact CE1-CD2 4.22Å; F1580-L1584 HydrophobicContact CZ-CD2 4.42Å; F1580-L1584 VanDerWaalsContact O-CB 3.24Å; F1580-L1584 WeakPolarHBondContact O-CB 3.07Å; F1580-L1584 PolarHBondContact O-N 3.25Å; F1580-K1635 HydrophobicContact CE1-CB 4.47Å; F1580-K1635 HydrophobicContact CZ-CB 4.16Å |
| 1581 | T | 93.1 | Very high | 89.6 | Confident | 20 Ų | 20 | 28.4 Ų | 28.4 | 12% | 0.123 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.6 | -39.5 | 175.3 | 50.6 | 0 | 0 | 0 | 0 | 111.3 | N1577 E1578 V1583 L1584 D1585 | N1577-T1581 PolarHBondContact O-N 2.94Å; N1577-T1581 PolarHBondContact O-OG1 3.44Å; E1578-T1581 PolarHBondContact O-OG1 3.14Å; T1581-V1583 PolarHBondContact O-N 3.45Å; T1581-L1584 PolarHBondContact O-N 2.91Å; T1581-D1585 WeakPolarHBondContact O-CB 3.42Å; T1581-D1585 VanDerWaalsContact O-CG 3.24Å; T1581-D1585 PolarHBondContact O-N 2.94Å |
| 1582 | T | 92 | Very high | 89.3 | Confident | 17 Ų | 17 | 30 Ų | 30 | 10% | 0.104 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -55.2 | -52.4 | 173.5 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | W440 E1578 L1579 F1580 L1584 D1585 M1586 | W440-T1582 HydrophobicContact CB-CG2 4.4Å; W440-T1582 HydrophobicContact CG-CG2 4.19Å; E1578-T1582 WeakPolarHBondContact O-CB 3.42Å; E1578-T1582 PolarHBondContact O-N 3.34Å; E1578-T1582 PolarHBondContact O-OG1 2.87Å; L1579-T1582 PolarHBondContact O-N 3.11Å; F1580-T1582 VanDerWaalsContact C-N 3.34Å; T1582-L1584 PolarHBondContact O-N 3.34Å; T1582-D1585 PolarHBondContact O-N 2.58Å; T1582-M1586 WeakPolarHBondContact O-CG 3.37Å; T1582-M1586 PolarHBondContact O-N 3.37Å |
| 1583 | V | 94.7 | Very high | 89 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.9 | -37.9 | 178.5 | 174.4 | 0 | 0 | 0 | 0 | 111.8 | L1538 L1562 I1565 I1566 L1579 F1580 T1581 L1587 | L1538-V1583 HydrophobicContact CD1-CG2 3.57Å; L1562-V1583 HydrophobicContact CB-CG1 4.08Å; L1562-V1583 HydrophobicContact CD2-CG1 3.97Å; L1562-V1583 HydrophobicContact CD2-CG2 4.46Å; L1562-V1583 VanDerWaalsContact O-CG1 3.31Å; L1562-V1583 WeakPolarHBondContact O-CG1 3.42Å; I1565-V1583 HydrophobicContact CG2-CG2 4.49Å; I1566-V1583 HydrophobicContact CD1-CG1 3.91Å; I1566-V1583 HydrophobicContact CG1-CG1 3.94Å; L1579-V1583 WeakPolarHBondContact O-CG2 3.04Å; L1579-V1583 PolarHBondContact O-N 3.21Å; F1580-V1583 PolarHBondContact O-N 3.38Å; T1581-V1583 PolarHBondContact O-N 3.45Å; V1583-L1587 WeakPolarHBondContact O-CB 3.47Å; V1583-L1587 PolarHBondContact O-N 3.47Å |
| 1584 | L | 93.9 | Very high | 88.7 | Confident | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66 | -39.5 | 177.1 | -173.8 | 71.3 | 0 | 0 | 0 | 112.2 | F1580 T1581 T1582 L1587 S1588 K1635 V1636 L1639 | F1580-L1584 HydrophobicContact CE1-CD2 4.22Å; F1580-L1584 HydrophobicContact CZ-CD2 4.42Å; F1580-L1584 VanDerWaalsContact O-CB 3.24Å; F1580-L1584 WeakPolarHBondContact O-CB 3.07Å; F1580-L1584 PolarHBondContact O-N 3.25Å; T1581-L1584 PolarHBondContact O-N 2.91Å; T1582-L1584 PolarHBondContact O-N 3.34Å; L1584-L1587 PolarHBondContact O-N 3.26Å; L1584-S1588 WeakPolarHBondContact O-CB 3.29Å; L1584-S1588 PolarHBondContact O-N 3.23Å; L1584-K1635 HydrophobicContact CD1-CB 4.44Å; L1584-K1635 HydrophobicContact CD2-CB 4.09Å; L1584-V1636 HydrophobicContact CD1-CG2 4.06Å; L1584-L1639 HydrophobicContact CD1-CD1 3.68Å; L1584-L1639 HydrophobicContact CD1-CG 4.26Å; L1584-L1639 HydrophobicContact CG-CD1 4.3Å |
| 1585 | D | 93.1 | Very high | 88 | Confident | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -77.6 | -36.1 | -179.5 | -67.9 | -27.4 | 0 | 0 | 0 | 111.4 | R432 V436 W440 T1581 T1582 L1587 S1588 V1589 | R432-D1585 IonicContact CZ-OD1 3.76Å; R432-D1585 IonicContact CZ-OD2 3.76Å; R432-D1585 VanDerWaalsContact CZ-OD2 3.3Å; R432-D1585 IonicContact NE-OD1 3.38Å; R432-D1585 IonicContact NE-OD2 2.72Å; R432-D1585 PolarHBondContact NE-OD2 3.14Å; R432-D1585 VanDerWaalsContact NH2-CG 3.28Å; R432-D1585 IonicContact NH2-OD1 3.53Å; R432-D1585 PolarHBondContact NH2-OD1 2.87Å; R432-D1585 IonicContact NH2-OD2 2.66Å; R432-D1585 PolarHBondContact NH2-OD2 3.25Å; V436-D1585 HydrophobicContact CG2-CB 4.19Å; W440-D1585 HydrophobicContact CZ2-CB 4.19Å; T1581-D1585 WeakPolarHBondContact O-CB 3.42Å; T1581-D1585 VanDerWaalsContact O-CG 3.24Å; T1581-D1585 PolarHBondContact O-N 2.94Å; T1582-D1585 PolarHBondContact O-N 2.58Å; D1585-L1587 PolarHBondContact O-N 2.95Å; D1585-S1588 WeakPolarHBondContact O-CB 3.36Å; D1585-S1588 PolarHBondContact O-N 2.79Å; D1585-V1589 WeakPolarHBondContact O-CG2 3.23Å; D1585-V1589 PolarHBondContact O-N 3.21Å |
| 1586 | M | 93.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.1 | -49.6 | 165.9 | -78 | -172.6 | 159.8 | 0 | 0 | 111.6 | W440 L1538 F1545 L1562 T1582 S1588 V1589 L1590 | W440-M1586 HydrophobicContact CB-CE 4.07Å; W440-M1586 HydrophobicContact CD2-CE 3.84Å; W440-M1586 HydrophobicContact CD2-CG 3.68Å; W440-M1586 HydrophobicContact CE3-CE 3.49Å; W440-M1586 VanDerWaalsContact CE3-CE 3.49Å; W440-M1586 HydrophobicContact CE3-CG 3.6Å; W440-M1586 HydrophobicContact CE3-SD 4.45Å; W440-M1586 HydrophobicContact CG-CE 4.1Å; W440-M1586 HydrophobicContact CG-CG 4.44Å; W440-M1586 HydrophobicContact CH2-CB 4.28Å; W440-M1586 HydrophobicContact CH2-CG 3.79Å; W440-M1586 HydrophobicContact CZ2-CB 4.33Å; W440-M1586 HydrophobicContact CZ2-CG 3.81Å; W440-M1586 HydrophobicContact CZ3-CE 4.25Å; W440-M1586 HydrophobicContact CZ3-CG 3.68Å; L1538-M1586 HydrophobicContact CB-CE 4.19Å; L1538-M1586 HydrophobicContact CB-SD 4.4Å; L1538-M1586 HydrophobicContact CD2-SD 4.03Å; L1538-M1586 VanDerWaalsContact O-CE 3.32Å; L1538-M1586 WeakPolarHBondContact O-CE 3.36Å; F1545-M1586 HydrophobicContact CD2-CE 4.27Å; F1545-M1586 HydrophobicContact CE2-CB 4.03Å; F1545-M1586 HydrophobicContact CE2-CE 4.11Å; F1545-M1586 HydrophobicContact CE2-CG 3.79Å; F1545-M1586 HydrophobicContact CE2-SD 4.06Å; F1545-M1586 HydrophobicContact CZ-CB 4.04Å; F1545-M1586 HydrophobicContact CZ-CG 4.19Å; L1562-M1586 HydrophobicContact CD1-CB 3.82Å; L1562-M1586 HydrophobicContact CD2-CB 4.29Å; L1562-M1586 HydrophobicContact CD2-SD 3.97Å; T1582-M1586 WeakPolarHBondContact O-CG 3.37Å; T1582-M1586 PolarHBondContact O-N 3.37Å; M1586-S1588 VanDerWaalsContact C-N 3.31Å; M1586-S1588 PolarHBondContact O-N 3.23Å; M1586-V1589 PolarHBondContact O-N 3.24Å; M1586-L1590 PolarHBondContact O-N 3.49Å |
| 1587 | L | 93.3 | Very high | 85 | Confident | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.1 | -39.9 | 177.2 | -176.8 | 61 | 0 | 0 | 0 | 111.4 | A1559 V1583 L1584 D1585 L1590 I1591 L1621 V1636 L1639 | A1559-L1587 HydrophobicContact CB-CD1 3.89Å; V1583-L1587 WeakPolarHBondContact O-CB 3.47Å; V1583-L1587 PolarHBondContact O-N 3.47Å; L1584-L1587 PolarHBondContact O-N 3.26Å; D1585-L1587 PolarHBondContact O-N 2.95Å; L1587-L1590 PolarHBondContact O-N 2.99Å; L1587-I1591 HydrophobicContact CD1-CD1 4.09Å; L1587-I1591 HydrophobicContact CD1-CG1 4.43Å; L1587-I1591 HydrophobicContact CG-CD1 3.91Å; L1587-I1591 WeakPolarHBondContact O-CB 3.44Å; L1587-I1591 VanDerWaalsContact O-CG1 3.22Å; L1587-I1591 WeakPolarHBondContact O-CG1 3.07Å; L1587-I1591 PolarHBondContact O-N 2.83Å; L1587-L1621 HydrophobicContact CD1-CD1 4.34Å; L1587-V1636 HydrophobicContact CD2-CG1 4.18Å; L1587-L1639 HydrophobicContact CB-CD1 4.41Å; L1587-L1639 HydrophobicContact CD2-CD1 4.27Å; L1587-L1639 HydrophobicContact CG-CD1 4.18Å |
| 1588 | S | 90.9 | Very high | 82.6 | Confident | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.9 | -44.9 | 174 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | H381 L1584 D1585 M1586 I1591 N1592 | H381-S1588 PolarHBondContact CE1-OG 3.12Å; H381-S1588 PolarHBondContact NE2-OG 3.18Å; L1584-S1588 WeakPolarHBondContact O-CB 3.29Å; L1584-S1588 PolarHBondContact O-N 3.23Å; D1585-S1588 WeakPolarHBondContact O-CB 3.36Å; D1585-S1588 PolarHBondContact O-N 2.79Å; M1586-S1588 VanDerWaalsContact C-N 3.31Å; M1586-S1588 PolarHBondContact O-N 3.23Å; S1588-I1591 PolarHBondContact O-N 3.37Å; S1588-N1592 WeakPolarHBondContact O-CB 3.2Å; S1588-N1592 PolarHBondContact O-N 3.44Å; S1588-N1592 PolarHBondContact O-ND2 3.1Å; S1588-N1592 PolarHBondContact OG-ND2 2.88Å |
| 1589 | V | 88.7 | Confident | 80.1 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.8 | -35.8 | -180 | 173 | 0 | 0 | 0 | 0 | 112 | H381 Y382 V436 W440 F1545 D1585 M1586 G1593 | H381-V1589 HydrophobicContact CB-CG2 4.45Å; H381-V1589 WeakPolarHBondContact CD2-CG2 2.98Å; Y382-V1589 HydrophobicContact CD1-CG1 4.49Å; Y382-V1589 HydrophobicContact CE1-CG1 4.18Å; V436-V1589 HydrophobicContact CG1-CG2 3.77Å; W440-V1589 HydrophobicContact CH2-CB 3.93Å; W440-V1589 HydrophobicContact CH2-CG1 4.3Å; W440-V1589 HydrophobicContact CH2-CG2 3.82Å; W440-V1589 HydrophobicContact CZ2-CG2 4.09Å; F1545-V1589 HydrophobicContact CE1-CB 4.29Å; F1545-V1589 HydrophobicContact CE1-CG1 3.86Å; D1585-V1589 WeakPolarHBondContact O-CG2 3.23Å; D1585-V1589 PolarHBondContact O-N 3.21Å; M1586-V1589 PolarHBondContact O-N 3.24Å; V1589-G1593 PolarHBondContact O-N 3.29Å |
| 1590 | L | 90.1 | Very high | 77.1 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.6 | -46 | 171.6 | -66.5 | 178.6 | 0 | 0 | 0 | 111.7 | F1545 V1548 Q1549 T1555 W1558 A1559 L1562 M1586 L1587 G1593 T1594 | F1545-L1590 HydrophobicContact CD1-CD2 4.46Å; F1545-L1590 HydrophobicContact CE1-CD2 3.59Å; F1545-L1590 HydrophobicContact CE1-CG 3.99Å; F1545-L1590 HydrophobicContact CZ-CD1 4.28Å; F1545-L1590 HydrophobicContact CZ-CD2 3.72Å; F1545-L1590 HydrophobicContact CZ-CG 3.7Å; V1548-L1590 HydrophobicContact CG1-CD2 3.97Å; Q1549-L1590 HydrophobicContact CG-CD2 4.08Å; T1555-L1590 HydrophobicContact CG2-CB 4.42Å; T1555-L1590 HydrophobicContact CG2-CD2 4.32Å; W1558-L1590 HydrophobicContact CB-CD1 4.15Å; A1559-L1590 HydrophobicContact CB-CD1 3.95Å; L1562-L1590 HydrophobicContact CD1-CD1 3.82Å; M1586-L1590 PolarHBondContact O-N 3.49Å; L1587-L1590 PolarHBondContact O-N 2.99Å; L1590-G1593 PolarHBondContact O-N 2.98Å; L1590-T1594 PolarHBondContact O-N 3.05Å |
| 1591 | I | 87.8 | Confident | 74.1 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.2 | -49.5 | 178.1 | -69.1 | 169.5 | 0 | 0 | 0 | 110.7 | L1587 S1588 G1593 T1594 L1595 Y1614 L1617 L1621 L1639 L1640 | L1587-I1591 HydrophobicContact CD1-CD1 4.09Å; L1587-I1591 HydrophobicContact CD1-CG1 4.43Å; L1587-I1591 HydrophobicContact CG-CD1 3.91Å; L1587-I1591 WeakPolarHBondContact O-CB 3.44Å; L1587-I1591 VanDerWaalsContact O-CG1 3.22Å; L1587-I1591 WeakPolarHBondContact O-CG1 3.07Å; L1587-I1591 PolarHBondContact O-N 2.83Å; S1588-I1591 PolarHBondContact O-N 3.37Å; I1591-G1593 PolarHBondContact O-N 3.09Å; I1591-T1594 PolarHBondContact O-N 2.9Å; I1591-T1594 PolarHBondContact O-OG1 2.88Å; I1591-L1595 PolarHBondContact O-N 3.1Å; I1591-Y1614 HydrophobicContact CG2-CE2 4Å; I1591-L1617 HydrophobicContact CG1-CD2 4.42Å; I1591-L1621 HydrophobicContact CD1-CD1 3.92Å; I1591-L1621 HydrophobicContact CG1-CD1 4.12Å; I1591-L1639 HydrophobicContact CD1-CB 4Å; I1591-L1639 HydrophobicContact CD1-CD1 4.32Å; I1591-L1640 HydrophobicContact CD1-CD2 4.28Å |
| 1592 | N | 81.7 | Confident | 71 | Confident | 34 Ų | 34 | 36.1 Ų | 36.1 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.1 | -32 | 179.1 | -76.2 | -76.2 | 0 | 0 | 0 | 112.8 | H381 S1588 T1594 L1595 A1596 | H381-N1592 PolarHBondContact CE1-ND2 2.83Å; S1588-N1592 WeakPolarHBondContact O-CB 3.2Å; S1588-N1592 PolarHBondContact O-N 3.44Å; S1588-N1592 PolarHBondContact O-ND2 3.1Å; S1588-N1592 PolarHBondContact OG-ND2 2.88Å; N1592-T1594 VanDerWaalsContact C-N 3.33Å; N1592-T1594 PolarHBondContact O-N 2.78Å; N1592-L1595 CarbonylContact O-C 3.38Å; N1592-L1595 WeakPolarHBondContact O-CA 3.28Å; N1592-L1595 WeakPolarHBondContact O-CB 3.46Å; N1592-L1595 PolarHBondContact O-N 3.47Å; N1592-A1596 PolarHBondContact O-N 3.23Å |
| 1593 | G | 78.1 | Confident | 68.1 | Low | 25 Ų | 25 | 39.5 Ų | 39.5 | 26% | 0.258 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.5 | -45.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1589 L1590 I1591 L1595 A1596 | V1589-G1593 PolarHBondContact O-N 3.29Å; L1590-G1593 PolarHBondContact O-N 2.98Å; I1591-G1593 PolarHBondContact O-N 3.09Å; G1593-L1595 PolarHBondContact O-N 3.49Å; G1593-A1596 PolarHBondContact O-N 3Å |
| 1594 | T | 79.4 | Confident | 65.5 | Low | 22 Ų | 22 | 48.4 Ų | 48.4 | 14% | 0.135 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -11.8 | 175.5 | 64.9 | 0 | 0 | 0 | 0 | 114.8 | T1555 L1590 I1591 N1592 Y1614 L1617 | T1555-T1594 HydrophobicContact CG2-CG2 3.91Å; L1590-T1594 PolarHBondContact O-N 3.05Å; I1591-T1594 PolarHBondContact O-N 2.9Å; I1591-T1594 PolarHBondContact O-OG1 2.88Å; N1592-T1594 VanDerWaalsContact C-N 3.33Å; N1592-T1594 PolarHBondContact O-N 2.78Å; T1594-Y1614 WeakPolarHBondContact OG1-CD2 3.42Å; T1594-L1617 HydrophobicContact CG2-CD2 4.11Å |
| 1595 | L | 68.3 | Low | 63.2 | Low | 25 Ų | 25 | 50.9 Ų | 50.9 | 13% | 0.131 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -15.2 | 175.7 | -77.5 | 168.3 | 0 | 0 | 0 | 114 | Y293 I1591 N1592 G1593 A1597 Y1614 | Y293-L1595 HydrophobicContact CD2-CD1 3.76Å; Y293-L1595 HydrophobicContact CE2-CD1 4.11Å; Y293-L1595 HydrophobicContact CG-CD1 4.43Å; I1591-L1595 PolarHBondContact O-N 3.1Å; N1592-L1595 CarbonylContact O-C 3.38Å; N1592-L1595 WeakPolarHBondContact O-CA 3.28Å; N1592-L1595 WeakPolarHBondContact O-CB 3.46Å; N1592-L1595 PolarHBondContact O-N 3.47Å; G1593-L1595 PolarHBondContact O-N 3.49Å; L1595-A1597 PolarHBondContact O-N 3.19Å; L1595-Y1614 HydrophobicContact CD1-CD2 4.2Å; L1595-Y1614 HydrophobicContact CD1-CE2 3.62Å; L1595-Y1614 HydrophobicContact CD2-CD1 3.72Å; L1595-Y1614 HydrophobicContact CD2-CD2 3.87Å; L1595-Y1614 HydrophobicContact CD2-CE1 3.68Å; L1595-Y1614 HydrophobicContact CD2-CE2 3.81Å; L1595-Y1614 HydrophobicContact CD2-CG 3.81Å; L1595-Y1614 HydrophobicContact CG-CD1 4.45Å; L1595-Y1614 HydrophobicContact CG-CD2 3.67Å; L1595-Y1614 HydrophobicContact CG-CE1 4.41Å; L1595-Y1614 HydrophobicContact CG-CE2 3.61Å; L1595-Y1614 HydrophobicContact CG-CG 4.1Å |
| 1596 | A | 55.7 | Low | 61 | Low | 12 Ų | 12 | 54.2 Ų | 54.2 | 10% | 0.099 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -28.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S383 K390 N1592 G1593 D1598 | S383-A1596 VanDerWaalsContact OG-CB 3.24Å; S383-A1596 WeakPolarHBondContact OG-CB 3.44Å; K390-A1596 PolarHBondContact NZ-O 3.08Å; N1592-A1596 PolarHBondContact O-N 3.23Å; G1593-A1596 PolarHBondContact O-N 3Å; A1596-D1598 PolarHBondContact O-N 3.42Å |
| 1597 | A | 49.9 | Very low | 58.9 | Low | 45 Ų | 45 | 57.9 Ų | 57.9 | 37% | 0.372 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -9.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | L1595 N1610 | L1595-A1597 PolarHBondContact O-N 3.19Å; A1597-N1610 HydrophobicContact CB-CB 3.87Å |
| 1598 | D | 39.7 | Very low | 57.3 | Low | 41 Ų | 41 | 64.4 Ų | 64.4 | 22% | 0.219 | 39% | 0.386 | C | S | . | . | trans | -78 | 128.9 | 179.6 | -98.4 | -11.7 | 0 | 0 | 0 | 113.2 | K390 A1596 M1607 | K390-D1598 PolarHBondContact NZ-O 2.95Å; A1596-D1598 PolarHBondContact O-N 3.42Å; D1598-M1607 WeakPolarHBondContact OD1-CE 3.45Å | ||
| 1599 | M | 33.3 | Very low | 56 | Low | 144 Ų | 144 | 71 Ų | 71 | 71% | 0.709 | 42% | 0.417 | S | S | * | . | S | Bend | trans | 70.5 | 82.7 | 169.5 | -47.4 | -61.6 | 174.9 | 0 | 0 | 115.8 | M1607 | M1599-M1607 HydrophobicContact CE-CE 4.16Å; M1599-M1607 HydrophobicContact SD-CE 4.33Å |
| 1600 | S | 28.7 | Very low | 55 | Low | 106 Ų | 106 | 73.7 Ų | 73.7 | 74% | 0.741 | 43% | 0.431 | S | S | * | . | S | Bend | -176 | 160.4 | 78.6 | 40.1 | 0 | 0 | 0 | 0 | 114.9 | I1602 | S1600-I1602 PolarHBondContact O-N 3.09Å; S1600-I1602 VanDerWaalsContact O-N 3.1Å | |
| 1601 | S | 29.1 | Very low | 54 | Low | 123 Ų | 123 | 79.5 Ų | 79.5 | 86% | 0.86 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 61.8 | -8.1 | 156.6 | 69.4 | 0 | 0 | 0 | 0 | 124 | ||
| 1602 | I | 28.8 | Very low | 53.7 | Low | 151 Ų | 151 | 87.2 Ų | 87.2 | 77% | 0.774 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -126.9 | 124.3 | 176.6 | -54.7 | -178.3 | 0 | 0 | 0 | 113.7 | S1600 | S1600-I1602 PolarHBondContact O-N 3.09Å; S1600-I1602 VanDerWaalsContact O-N 3.1Å |
| 1603 | S | 31.8 | Very low | 53.7 | Low | 88 Ų | 88 | 86.5 Ų | 86.5 | 62% | 0.615 | 48% | 0.484 | S | S | * | . | trans | 48.5 | 113.2 | 167.8 | -167.9 | 0 | 0 | 0 | 0 | 118.5 | G1605 S1606 | S1603-G1605 PolarHBondContact O-N 3.3Å; S1603-S1606 PolarHBondContact O-N 2.59Å | ||
| 1604 | Q | 40.2 | Very low | 54 | Low | 187 Ų | 187 | 86.1 Ų | 86.1 | 87% | 0.874 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -58.8 | -18.1 | 174.8 | -71.5 | -176.4 | -41.8 | 0 | 0 | 114.7 | ||
| 1605 | G | 45.8 | Very low | 54.2 | Low | 56 Ų | 56 | 88.5 Ų | 88.5 | 58% | 0.577 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -72.2 | -36.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1603 | S1603-G1605 PolarHBondContact O-N 3.3Å |
| 1606 | S | 46.1 | Very low | 55.2 | Low | 70 Ų | 70 | 91.4 Ų | 91.4 | 49% | 0.49 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -78.8 | -29.1 | -171.6 | -174.3 | 0 | 0 | 0 | 0 | 113.4 | S1603 E1608 E1609 N1610 | S1603-S1606 PolarHBondContact O-N 2.59Å; S1606-E1608 VanDerWaalsContact C-N 3.35Å; S1606-E1608 PolarHBondContact O-N 3.07Å; S1606-E1609 PolarHBondContact O-N 3.16Å; S1606-N1610 PolarHBondContact O-N 3.24Å; S1606-N1610 PolarHBondContact O-ND2 2.85Å |
| 1607 | M | 48.9 | Very low | 56.8 | Low | 77 Ų | 77 | 90.9 Ų | 90.9 | 38% | 0.379 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -38.4 | -176.6 | -165 | -178.4 | -166.9 | 0 | 0 | 112.5 | D1598 M1599 E1609 K1611 | D1598-M1607 WeakPolarHBondContact OD1-CE 3.45Å; M1599-M1607 HydrophobicContact CE-CE 4.16Å; M1599-M1607 HydrophobicContact SD-CE 4.33Å; M1607-E1609 PolarHBondContact O-N 3.29Å; M1607-K1611 VanDerWaalsContact O-CB 3.25Å; M1607-K1611 WeakPolarHBondContact O-CB 3.47Å; M1607-K1611 PolarHBondContact O-N 3Å |
| 1608 | E | 59.5 | Low | 58.7 | Low | 140 Ų | 140 | 89 Ų | 89 | 65% | 0.654 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -68.5 | -34.4 | -177.5 | -151.7 | 88.1 | -115.1 | 0 | 0 | 112.3 | S1606 R1612 | S1606-E1608 VanDerWaalsContact C-N 3.35Å; S1606-E1608 PolarHBondContact O-N 3.07Å; E1608-R1612 WeakPolarHBondContact O-CB 3.45Å; E1608-R1612 PolarHBondContact O-N 3.36Å |
| 1609 | E | 64.4 | Low | 61 | Low | 140 Ų | 140 | 92.9 Ų | 92.9 | 65% | 0.654 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -79.1 | -44.7 | -174.7 | -170.4 | 147.3 | -120.7 | 0 | 0 | 112.1 | S1606 M1607 K1611 R1612 A1613 | S1606-E1609 PolarHBondContact O-N 3.16Å; M1607-E1609 PolarHBondContact O-N 3.29Å; E1609-K1611 VanDerWaalsContact C-N 3.34Å; E1609-K1611 PolarHBondContact O-N 2.88Å; E1609-R1612 CarbonylContact O-C 3.59Å; E1609-R1612 WeakPolarHBondContact O-CA 3.49Å; E1609-R1612 WeakPolarHBondContact O-CB 3.36Å; E1609-R1612 PolarHBondContact O-N 3.08Å; E1609-R1612 VanDerWaalsContact O-N 3.13Å; E1609-A1613 PolarHBondContact O-N 3.3Å |
| 1610 | N | 66.9 | Low | 63.8 | Low | 57 Ų | 57 | 89.9 Ų | 89.9 | 31% | 0.305 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 173.1 | -72.5 | -48.6 | 0 | 0 | 0 | 111.9 | A1597 S1606 R1612 A1613 Y1614 | A1597-N1610 HydrophobicContact CB-CB 3.87Å; S1606-N1610 PolarHBondContact O-N 3.24Å; S1606-N1610 PolarHBondContact O-ND2 2.85Å; N1610-R1612 VanDerWaalsContact C-N 3.3Å; N1610-R1612 PolarHBondContact O-N 2.9Å; N1610-A1613 WeakPolarHBondContact O-CB 3.48Å; N1610-A1613 PolarHBondContact O-N 2.97Å; N1610-A1613 VanDerWaalsContact O-N 3.13Å; N1610-Y1614 PolarHBondContact O-N 2.98Å |
| 1611 | K | 70.8 | Confident | 66.8 | Low | 122 Ų | 122 | 85 Ų | 85 | 53% | 0.53 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.9 | -36.6 | 173 | -171.9 | 168.9 | -173.7 | 166.1 | 0 | 112.3 | M1607 E1609 M1615 | M1607-K1611 VanDerWaalsContact O-CB 3.25Å; M1607-K1611 WeakPolarHBondContact O-CB 3.47Å; M1607-K1611 PolarHBondContact O-N 3Å; E1609-K1611 VanDerWaalsContact C-N 3.34Å; E1609-K1611 PolarHBondContact O-N 2.88Å; K1611-M1615 VanDerWaalsContact O-CB 3.3Å; K1611-M1615 WeakPolarHBondContact O-CB 3.47Å; K1611-M1615 WeakPolarHBondContact O-CG 3.42Å; K1611-M1615 PolarHBondContact O-N 3.31Å |
| 1612 | R | 80.3 | Confident | 69.6 | Low | 167 Ų | 167 | 82.8 Ų | 82.8 | 63% | 0.63 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -68.2 | -38.9 | 172.3 | 179.7 | -178.5 | -75.9 | -178.4 | -3 | 111.8 | E1608 E1609 N1610 M1615 N1616 | E1608-R1612 WeakPolarHBondContact O-CB 3.45Å; E1608-R1612 PolarHBondContact O-N 3.36Å; E1609-R1612 CarbonylContact O-C 3.59Å; E1609-R1612 WeakPolarHBondContact O-CA 3.49Å; E1609-R1612 WeakPolarHBondContact O-CB 3.36Å; E1609-R1612 PolarHBondContact O-N 3.08Å; E1609-R1612 VanDerWaalsContact O-N 3.13Å; N1610-R1612 VanDerWaalsContact C-N 3.3Å; N1610-R1612 PolarHBondContact O-N 2.9Å; R1612-M1615 PolarHBondContact O-N 3.04Å; R1612-N1616 WeakPolarHBondContact O-CB 3.47Å; R1612-N1616 PolarHBondContact O-N 3.38Å; R1612-N1616 PolarHBondContact O-ND2 3.04Å |
| 1613 | A | 81.2 | Confident | 72.5 | Confident | 19 Ų | 19 | 83 Ų | 83 | 16% | 0.157 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.8 | -53.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T1552 E1609 N1610 M1615 N1616 L1617 | T1552-A1613 HydrophobicContact CG2-CB 3.74Å; E1609-A1613 PolarHBondContact O-N 3.3Å; N1610-A1613 WeakPolarHBondContact O-CB 3.48Å; N1610-A1613 PolarHBondContact O-N 2.97Å; N1610-A1613 VanDerWaalsContact O-N 3.13Å; A1613-M1615 VanDerWaalsContact C-N 3.34Å; A1613-M1615 PolarHBondContact O-N 3.08Å; A1613-N1616 PolarHBondContact O-N 2.92Å; A1613-L1617 PolarHBondContact O-N 3.12Å |
| 1614 | Y | 85.2 | Confident | 75 | Confident | 17 Ų | 17 | 81.1 Ų | 81.1 | 7% | 0.067 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -54.3 | -47.4 | 173.9 | 172 | -110 | 0 | 0 | 0 | 112.1 | I1591 T1594 L1595 N1610 N1616 L1617 V1618 P1641 | I1591-Y1614 HydrophobicContact CG2-CE2 4Å; T1594-Y1614 WeakPolarHBondContact OG1-CD2 3.42Å; L1595-Y1614 HydrophobicContact CD1-CD2 4.2Å; L1595-Y1614 HydrophobicContact CD1-CE2 3.62Å; L1595-Y1614 HydrophobicContact CD2-CD1 3.72Å; L1595-Y1614 HydrophobicContact CD2-CD2 3.87Å; L1595-Y1614 HydrophobicContact CD2-CE1 3.68Å; L1595-Y1614 HydrophobicContact CD2-CE2 3.81Å; L1595-Y1614 HydrophobicContact CD2-CG 3.81Å; L1595-Y1614 HydrophobicContact CG-CD1 4.45Å; L1595-Y1614 HydrophobicContact CG-CD2 3.67Å; L1595-Y1614 HydrophobicContact CG-CE1 4.41Å; L1595-Y1614 HydrophobicContact CG-CE2 3.61Å; L1595-Y1614 HydrophobicContact CG-CG 4.1Å; N1610-Y1614 PolarHBondContact O-N 2.98Å; Y1614-N1616 PolarHBondContact O-N 3.41Å; Y1614-L1617 PolarHBondContact O-N 3.14Å; Y1614-V1618 HydrophobicContact CD2-CG2 3.95Å; Y1614-V1618 HydrophobicContact CE1-CG2 4.11Å; Y1614-V1618 HydrophobicContact CE2-CG2 3.49Å; Y1614-V1618 VanDerWaalsContact CE2-CG2 3.49Å; Y1614-V1618 HydrophobicContact CG-CG2 4.46Å; Y1614-V1618 WeakPolarHBondContact O-CG2 3.36Å; Y1614-V1618 PolarHBondContact O-N 3.37Å; Y1614-P1641 WeakPolarHBondContact OH-CG 3.3Å |
| 1615 | M | 84.3 | Confident | 77.3 | Confident | 72 Ų | 72 | 72.3 Ų | 72.3 | 36% | 0.355 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.4 | -23.2 | 177.2 | -77.1 | -73.5 | 106.5 | 0 | 0 | 114.2 | K1611 R1612 A1613 K1619 | K1611-M1615 VanDerWaalsContact O-CB 3.3Å; K1611-M1615 WeakPolarHBondContact O-CB 3.47Å; K1611-M1615 WeakPolarHBondContact O-CG 3.42Å; K1611-M1615 PolarHBondContact O-N 3.31Å; R1612-M1615 PolarHBondContact O-N 3.04Å; A1613-M1615 VanDerWaalsContact C-N 3.34Å; A1613-M1615 PolarHBondContact O-N 3.08Å; M1615-K1619 WeakPolarHBondContact O-CD 3.37Å; M1615-K1619 VanDerWaalsContact O-CE 3.27Å; M1615-K1619 WeakPolarHBondContact O-CE 3.5Å; M1615-K1619 WeakPolarHBondContact O-CG 3.29Å |
| 1616 | N | 87.6 | Confident | 79 | Confident | 85 Ų | 85 | 71.8 Ų | 71.8 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -84.6 | -39.7 | 174.4 | -72.3 | -17.5 | 0 | 0 | 0 | 111.4 | R1612 A1613 Y1614 K1619 K1620 | R1612-N1616 WeakPolarHBondContact O-CB 3.47Å; R1612-N1616 PolarHBondContact O-N 3.38Å; R1612-N1616 PolarHBondContact O-ND2 3.04Å; A1613-N1616 PolarHBondContact O-N 2.92Å; Y1614-N1616 PolarHBondContact O-N 3.41Å; N1616-K1619 PolarHBondContact O-N 3.09Å; N1616-K1620 PolarHBondContact O-N 2.87Å; N1616-K1620 VanDerWaalsContact O-N 3.13Å |
| 1617 | L | 90.7 | Very high | 80.2 | Confident | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.1 | -53.8 | 173.4 | 175.6 | 58.8 | 0 | 0 | 0 | 111 | T1556 A1559 I1591 T1594 A1613 Y1614 K1619 K1620 L1621 | T1556-L1617 HydrophobicContact CG2-CD1 4.19Å; A1559-L1617 HydrophobicContact CB-CD1 3.76Å; I1591-L1617 HydrophobicContact CG1-CD2 4.42Å; T1594-L1617 HydrophobicContact CG2-CD2 4.11Å; A1613-L1617 PolarHBondContact O-N 3.12Å; Y1614-L1617 PolarHBondContact O-N 3.14Å; L1617-K1619 VanDerWaalsContact C-N 3.27Å; L1617-K1619 PolarHBondContact O-N 3.27Å; L1617-K1620 WeakPolarHBondContact O-CB 3.47Å; L1617-K1620 PolarHBondContact O-N 3.34Å; L1617-L1621 HydrophobicContact CD1-CD1 3.93Å; L1617-L1621 HydrophobicContact CD1-CD2 4.37Å; L1617-L1621 HydrophobicContact CD1-CG 4.03Å; L1617-L1621 HydrophobicContact CG-CD1 4Å; L1617-L1621 HydrophobicContact CG-CG 4.46Å; L1617-L1621 WeakPolarHBondContact O-CG 3.28Å; L1617-L1621 PolarHBondContact O-N 2.98Å |
| 1618 | V | 88.9 | Confident | 81.6 | Confident | 5 Ų | 5 | 77.4 Ų | 77.4 | 3% | 0.03 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55.5 | -41.5 | 177.9 | 168.9 | 0 | 0 | 0 | 0 | 111.8 | Y1614 K1620 L1621 Q1622 L1640 P1641 | Y1614-V1618 HydrophobicContact CD2-CG2 3.95Å; Y1614-V1618 HydrophobicContact CE1-CG2 4.11Å; Y1614-V1618 HydrophobicContact CE2-CG2 3.49Å; Y1614-V1618 VanDerWaalsContact CE2-CG2 3.49Å; Y1614-V1618 HydrophobicContact CG-CG2 4.46Å; Y1614-V1618 WeakPolarHBondContact O-CG2 3.36Å; Y1614-V1618 PolarHBondContact O-N 3.37Å; V1618-K1620 PolarHBondContact O-N 3.39Å; V1618-L1621 PolarHBondContact O-N 3.37Å; V1618-Q1622 HydrophobicContact CG1-CG 4.14Å; V1618-Q1622 VanDerWaalsContact O-CB 3.3Å; V1618-Q1622 WeakPolarHBondContact O-CB 3.39Å; V1618-Q1622 VanDerWaalsContact O-CG 3.27Å; V1618-Q1622 WeakPolarHBondContact O-CG 3.48Å; V1618-Q1622 PolarHBondContact O-N 3.06Å; V1618-L1640 HydrophobicContact CG2-CD2 4.32Å; V1618-P1641 HydrophobicContact CG1-CG 4.07Å; V1618-P1641 HydrophobicContact CG2-CG 4.43Å |
| 1619 | K | 88.6 | Confident | 82.4 | Confident | 123 Ų | 123 | 79.2 Ų | 79.2 | 54% | 0.535 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.3 | -33.1 | 177.9 | -74.8 | 169.2 | -163.1 | 158.8 | 0 | 113.4 | M1615 N1616 L1617 K1623 | M1615-K1619 WeakPolarHBondContact O-CD 3.37Å; M1615-K1619 VanDerWaalsContact O-CE 3.27Å; M1615-K1619 WeakPolarHBondContact O-CE 3.5Å; M1615-K1619 WeakPolarHBondContact O-CG 3.29Å; N1616-K1619 PolarHBondContact O-N 3.09Å; L1617-K1619 VanDerWaalsContact C-N 3.27Å; L1617-K1619 PolarHBondContact O-N 3.27Å; K1619-K1623 VanDerWaalsContact O-CB 3.25Å; K1619-K1623 WeakPolarHBondContact O-CB 3.43Å; K1619-K1623 PolarHBondContact O-N 3.14Å |
| 1620 | K | 91.5 | Very high | 83.4 | Confident | 81 Ų | 81 | 74.9 Ų | 74.9 | 35% | 0.352 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.1 | -55.3 | 171.6 | -80.4 | 175.4 | 150.9 | -152.7 | 0 | 110.3 | T1556 Q1560 N1616 L1617 V1618 Q1622 K1623 D1624 | T1556-K1620 HydrophobicContact CG2-CD 3.3Å; Q1560-K1620 HydrophobicContact CG-CB 4.39Å; N1616-K1620 PolarHBondContact O-N 2.87Å; N1616-K1620 VanDerWaalsContact O-N 3.13Å; L1617-K1620 WeakPolarHBondContact O-CB 3.47Å; L1617-K1620 PolarHBondContact O-N 3.34Å; V1618-K1620 PolarHBondContact O-N 3.39Å; K1620-Q1622 VanDerWaalsContact C-N 3.33Å; K1620-Q1622 PolarHBondContact O-N 3.43Å; K1620-K1623 WeakPolarHBondContact O-CB 3.47Å; K1620-K1623 PolarHBondContact O-N 3.3Å; K1620-D1624 VanDerWaalsContact O-CG 3.3Å; K1620-D1624 PolarHBondContact O-N 3.16Å |
| 1621 | L | 92.1 | Very high | 84.1 | Confident | 3 Ų | 3 | 75 Ų | 75 | 2% | 0.016 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58 | -43 | -178.4 | -58.5 | 175.8 | 0 | 0 | 0 | 112.2 | A1559 Q1560 L1563 L1587 I1591 L1617 V1618 K1623 D1624 L1625 L1640 | A1559-L1621 HydrophobicContact CB-CD2 4.3Å; A1559-L1621 WeakPolarHBondContact O-CD2 3.18Å; Q1560-L1621 HydrophobicContact CG-CD2 4.37Å; L1563-L1621 HydrophobicContact CB-CD2 4.13Å; L1563-L1621 HydrophobicContact CD2-CB 3.97Å; L1563-L1621 HydrophobicContact CD2-CD2 3.58Å; L1563-L1621 HydrophobicContact CD2-CG 4.37Å; L1563-L1621 HydrophobicContact CG-CD2 4.46Å; L1587-L1621 HydrophobicContact CD1-CD1 4.34Å; I1591-L1621 HydrophobicContact CD1-CD1 3.92Å; I1591-L1621 HydrophobicContact CG1-CD1 4.12Å; L1617-L1621 HydrophobicContact CD1-CD1 3.93Å; L1617-L1621 HydrophobicContact CD1-CD2 4.37Å; L1617-L1621 HydrophobicContact CD1-CG 4.03Å; L1617-L1621 HydrophobicContact CG-CD1 4Å; L1617-L1621 HydrophobicContact CG-CG 4.46Å; L1617-L1621 WeakPolarHBondContact O-CG 3.28Å; L1617-L1621 PolarHBondContact O-N 2.98Å; V1618-L1621 PolarHBondContact O-N 3.37Å; L1621-K1623 PolarHBondContact O-N 3.13Å; L1621-D1624 PolarHBondContact O-N 3.48Å; L1621-L1625 WeakPolarHBondContact O-CB 3.37Å; L1621-L1625 WeakPolarHBondContact O-CD1 3.04Å; L1621-L1625 WeakPolarHBondContact O-CG 3.31Å; L1621-L1625 PolarHBondContact O-N 2.97Å; L1621-L1640 HydrophobicContact CB-CD2 4.35Å; L1621-L1640 HydrophobicContact CD1-CD2 4.14Å |
| 1622 | Q | 88.7 | Confident | 84.9 | Confident | 78 Ų | 78 | 69.6 Ų | 69.6 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.9 | -35.8 | 175.1 | -74.1 | 179.6 | -16.9 | 0 | 0 | 113.4 | V1618 K1620 G1626 L1640 | V1618-Q1622 HydrophobicContact CG1-CG 4.14Å; V1618-Q1622 VanDerWaalsContact O-CB 3.3Å; V1618-Q1622 WeakPolarHBondContact O-CB 3.39Å; V1618-Q1622 VanDerWaalsContact O-CG 3.27Å; V1618-Q1622 WeakPolarHBondContact O-CG 3.48Å; V1618-Q1622 PolarHBondContact O-N 3.06Å; K1620-Q1622 VanDerWaalsContact C-N 3.33Å; K1620-Q1622 PolarHBondContact O-N 3.43Å; Q1622-G1626 PolarHBondContact O-N 2.7Å; Q1622-L1640 HydrophobicContact CG-CD1 4.03Å |
| 1623 | K | 88.1 | Confident | 85.3 | Confident | 155 Ų | 155 | 62.1 Ų | 62.1 | 67% | 0.674 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -66.7 | -41.4 | 176.3 | 175.4 | -166 | 158 | -100.6 | 0 | 111.1 | K1619 K1620 L1621 G1626 | K1619-K1623 VanDerWaalsContact O-CB 3.25Å; K1619-K1623 WeakPolarHBondContact O-CB 3.43Å; K1619-K1623 PolarHBondContact O-N 3.14Å; K1620-K1623 WeakPolarHBondContact O-CB 3.47Å; K1620-K1623 PolarHBondContact O-N 3.3Å; L1621-K1623 PolarHBondContact O-N 3.13Å; K1623-G1626 PolarHBondContact O-N 3.3Å |
| 1624 | D | 86 | Confident | 85.7 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 26% | 0.262 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -80.4 | -28.6 | -173.1 | -57.1 | -27.2 | 0 | 0 | 0 | 111.7 | Q1560 L1563 I1567 K1620 L1621 | Q1560-D1624 PolarHBondContact NE2-OD2 3.06Å; L1563-D1624 HydrophobicContact CD2-CB 4.29Å; I1567-D1624 WeakPolarHBondContact CD1-O 3.36Å; K1620-D1624 VanDerWaalsContact O-CG 3.3Å; K1620-D1624 PolarHBondContact O-N 3.16Å; L1621-D1624 PolarHBondContact O-N 3.48Å |
| 1625 | L | 87.8 | Confident | 85.9 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.7 | -45 | 165.7 | -80.9 | 162.2 | 0 | 0 | 0 | 113.3 | L1563 I1567 L1621 R1628 L1633 V1636 L1640 | L1563-L1625 HydrophobicContact CD1-CD2 4.06Å; L1563-L1625 HydrophobicContact CD1-CG 4.15Å; L1563-L1625 HydrophobicContact CD2-CG 4.33Å; I1567-L1625 HydrophobicContact CD1-CD2 4.02Å; I1567-L1625 HydrophobicContact CD1-CG 4.19Å; I1567-L1625 HydrophobicContact CG1-CD2 4.37Å; L1621-L1625 WeakPolarHBondContact O-CB 3.37Å; L1621-L1625 WeakPolarHBondContact O-CD1 3.04Å; L1621-L1625 WeakPolarHBondContact O-CG 3.31Å; L1621-L1625 PolarHBondContact O-N 2.97Å; L1625-R1628 WeakPolarHBondContact O-CG 3.29Å; L1625-R1628 PolarHBondContact O-N 3.47Å; L1625-L1633 HydrophobicContact CD2-CD2 3.84Å; L1625-V1636 HydrophobicContact CD1-CG1 4.22Å; L1625-V1636 HydrophobicContact CD2-CG1 4.22Å; L1625-L1640 HydrophobicContact CD1-CD1 3.51Å |
| 1626 | G | 81.1 | Confident | 86.3 | Confident | 46 Ų | 46 | 65.9 Ų | 65.9 | 47% | 0.474 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | -129.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q1622 K1623 | Q1622-G1626 PolarHBondContact O-N 2.7Å; K1623-G1626 PolarHBondContact O-N 3.3Å |
| 1627 | E | 71.7 | Confident | 86.4 | Confident | 133 Ų | 133 | 65.5 Ų | 65.5 | 62% | 0.621 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | 19.9 | 175.9 | -54 | -156.5 | 178.7 | 0 | 0 | 113 | K1685 | E1627-K1685 IonicContact OE1-NZ 3.15Å; E1627-K1685 PolarHBondContact OE1-NZ 2.92Å; E1627-K1685 IonicContact OE2-NZ 3.52Å; E1627-K1685 PolarHBondContact OE2-NZ 2.96Å |
| 1628 | R | 78.1 | Confident | 86.5 | Confident | 131 Ų | 131 | 66.2 Ų | 66.2 | 49% | 0.494 | 32% | 0.32 | S | S | . | . | trans | -70.5 | 140.4 | 178.5 | -59.6 | -178.6 | -170.5 | -141.9 | 1.2 | 110.3 | I1567 L1625 L1633 | I1567-R1628 PolarHBondContact O-NH1 3.25Å; I1567-R1628 VanDerWaalsContact O-NH1 3.1Å; L1625-R1628 WeakPolarHBondContact O-CG 3.29Å; L1625-R1628 PolarHBondContact O-N 3.47Å; R1628-L1633 HydrophobicContact CB-CD1 3.57Å | ||
| 1629 | Q | 76.3 | Confident | 86.6 | Confident | 178 Ų | 178 | 66.4 Ų | 66.4 | 83% | 0.832 | 32% | 0.321 | S | S | * | . | trans | -132.1 | 133 | 175.8 | -66.9 | -171.5 | -33.8 | 0 | 0 | 110.6 | ||||
| 1630 | S | 85 | Confident | 86.7 | Confident | 50 Ų | 50 | 60.8 Ų | 60.8 | 35% | 0.35 | 30% | 0.297 | S | S | . | . | trans | -162 | 159.1 | 168 | 73.8 | 0 | 0 | 0 | 0 | 109.4 | S1632 L1633 E1634 | S1630-S1632 PolarHBondContact O-N 2.73Å; S1630-L1633 PolarHBondContact O-N 3.38Å; S1630-L1633 WeakPolarHBondContact OG-CG 3.46Å; S1630-L1633 PolarHBondContact OG-N 3.11Å; S1630-E1634 PolarHBondContact O-N 3.19Å | ||
| 1631 | D | 82.1 | Confident | 86.5 | Confident | 59 Ų | 59 | 58 Ų | 58 | 32% | 0.316 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -52.5 | -27.4 | 177.6 | -57.9 | 36.8 | 0 | 0 | 0 | 113 | M1573 R1737 | M1573-D1631 HydrophobicContact CE-CB 4.21Å; M1573-D1631 WeakPolarHBondContact CE-O 3.27Å; D1631-R1737 IonicContact OD1-NH2 2.67Å; D1631-R1737 PolarHBondContact OD1-NH2 2.85Å; D1631-R1737 IonicContact OD2-CZ 2.66Å; D1631-R1737 IonicContact OD2-NH1 2.61Å; D1631-R1737 PolarHBondContact OD2-NH1 3.21Å; D1631-R1737 IonicContact OD2-NH2 3.62Å; D1631-R1737 PolarHBondContact OD2-NH2 3.21Å; D1631-R1737 VanDerWaalsContact OD2-NH2 3.16Å |
| 1632 | S | 87.2 | Confident | 86.2 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 6% | 0.056 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -81.4 | -40.5 | 174.4 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | M1573 S1630 E1634 K1635 V1636 | M1573-S1632 WeakPolarHBondContact CB-OG 3.35Å; M1573-S1632 PolarHBondContact N-OG 3.36Å; M1573-S1632 VanDerWaalsContact N-OG 3.09Å; S1630-S1632 PolarHBondContact O-N 2.73Å; S1632-E1634 VanDerWaalsContact C-N 3.31Å; S1632-E1634 PolarHBondContact O-N 3.14Å; S1632-K1635 PolarHBondContact O-N 2.91Å; S1632-V1636 PolarHBondContact O-N 2.98Å |
| 1633 | L | 89.9 | Confident | 85.9 | Confident | 11 Ų | 11 | 59.7 Ų | 59.7 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.2 | -26.2 | 177.8 | -65.9 | 177.2 | 0 | 0 | 0 | 112.5 | I1566 I1567 L1625 R1628 S1630 K1635 V1636 H1637 | I1566-L1633 HydrophobicContact CG2-CD2 3.92Å; I1567-L1633 HydrophobicContact CG1-CD2 3.93Å; L1625-L1633 HydrophobicContact CD2-CD2 3.84Å; R1628-L1633 HydrophobicContact CB-CD1 3.57Å; S1630-L1633 PolarHBondContact O-N 3.38Å; S1630-L1633 WeakPolarHBondContact OG-CG 3.46Å; S1630-L1633 PolarHBondContact OG-N 3.11Å; L1633-K1635 VanDerWaalsContact C-N 3.28Å; L1633-K1635 PolarHBondContact O-N 3.31Å; L1633-V1636 PolarHBondContact O-N 3.44Å; L1633-V1636 VanDerWaalsContact O-N 3.15Å; L1633-H1637 PolarHBondContact O-CD2 3.2Å; L1633-H1637 PolarHBondContact O-N 2.89Å |
| 1634 | E | 88.3 | Confident | 85.6 | Confident | 127 Ų | 127 | 56.1 Ų | 56.1 | 59% | 0.593 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -58.8 | -39.1 | 170.1 | -72.2 | -170.6 | 168 | 0 | 0 | 112.1 | S1630 S1632 V1636 H1637 Q1638 | S1630-E1634 PolarHBondContact O-N 3.19Å; S1632-E1634 VanDerWaalsContact C-N 3.31Å; S1632-E1634 PolarHBondContact O-N 3.14Å; E1634-V1636 VanDerWaalsContact C-N 3.33Å; E1634-V1636 PolarHBondContact O-N 3.45Å; E1634-H1637 PolarHBondContact O-N 3.17Å; E1634-Q1638 PolarHBondContact O-N 3.43Å |
| 1635 | K | 90.9 | Very high | 85.1 | Confident | 56 Ų | 56 | 57.5 Ų | 57.5 | 24% | 0.243 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.1 | -30.1 | 175.3 | -60 | -55.6 | -173.9 | -175.5 | 0 | 112.8 | C373 M1573 F1580 L1584 S1632 L1633 Q1638 | C373-K1635 PolarHBondContact O-NZ 3.05Å; M1573-K1635 HydrophobicContact CE-CG 4.44Å; M1573-K1635 HydrophobicContact SD-CG 4.41Å; F1580-K1635 HydrophobicContact CE1-CB 4.47Å; F1580-K1635 HydrophobicContact CZ-CB 4.16Å; L1584-K1635 HydrophobicContact CD1-CB 4.44Å; L1584-K1635 HydrophobicContact CD2-CB 4.09Å; S1632-K1635 PolarHBondContact O-N 2.91Å; L1633-K1635 VanDerWaalsContact C-N 3.28Å; L1633-K1635 PolarHBondContact O-N 3.31Å; K1635-Q1638 VanDerWaalsContact O-CB 3.3Å; K1635-Q1638 WeakPolarHBondContact O-CB 3.44Å; K1635-Q1638 PolarHBondContact O-N 3.27Å |
| 1636 | V | 92 | Very high | 84.4 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -72.4 | -43.2 | 171.7 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | L1563 I1566 L1584 L1587 L1625 S1632 L1633 E1634 Q1638 L1639 | L1563-V1636 HydrophobicContact CD1-CG1 3.59Å; I1566-V1636 HydrophobicContact CD1-CG2 3.72Å; I1566-V1636 HydrophobicContact CG2-CG2 4.14Å; L1584-V1636 HydrophobicContact CD1-CG2 4.06Å; L1587-V1636 HydrophobicContact CD2-CG1 4.18Å; L1625-V1636 HydrophobicContact CD1-CG1 4.22Å; L1625-V1636 HydrophobicContact CD2-CG1 4.22Å; S1632-V1636 PolarHBondContact O-N 2.98Å; L1633-V1636 PolarHBondContact O-N 3.44Å; L1633-V1636 VanDerWaalsContact O-N 3.15Å; E1634-V1636 VanDerWaalsContact C-N 3.33Å; E1634-V1636 PolarHBondContact O-N 3.45Å; V1636-Q1638 PolarHBondContact O-N 3.07Å; V1636-L1639 WeakPolarHBondContact O-CB 3.5Å; V1636-L1639 PolarHBondContact O-N 3.12Å |
| 1637 | H | 90.6 | Very high | 83.8 | Confident | 77 Ų | 77 | 62.5 Ų | 62.5 | 36% | 0.356 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.8 | -33.7 | 172.8 | -77.6 | -63.3 | 0 | 0 | 0 | 112 | L1633 E1634 L1639 L1640 | L1633-H1637 PolarHBondContact O-CD2 3.2Å; L1633-H1637 PolarHBondContact O-N 2.89Å; E1634-H1637 PolarHBondContact O-N 3.17Å; H1637-L1639 PolarHBondContact O-N 2.86Å; H1637-L1640 PolarHBondContact O-N 3.38Å |
| 1638 | Q | 92 | Very high | 83.6 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26 | 174.2 | -154.3 | 171.9 | 37 | 0 | 0 | 113 | V289 S291 A292 C373 C374 E1634 K1635 V1636 L1640 | V289-Q1638 PolarHBondContact O-NE2 3.5Å; S291-Q1638 CarbonylContact C-O 3.6Å; S291-Q1638 WeakPolarHBondContact CA-O 3.49Å; A292-Q1638 WeakPolarHBondContact CB-O 3.46Å; A292-Q1638 PolarHBondContact N-O 3.29Å; C373-Q1638 PolarHBondContact O-NE2 3.36Å; C374-Q1638 PolarHBondContact SG-NE2 3.33Å; C374-Q1638 VanDerWaalsContact SG-NE2 3.41Å; E1634-Q1638 PolarHBondContact O-N 3.43Å; K1635-Q1638 VanDerWaalsContact O-CB 3.3Å; K1635-Q1638 WeakPolarHBondContact O-CB 3.44Å; K1635-Q1638 PolarHBondContact O-N 3.27Å; V1636-Q1638 PolarHBondContact O-N 3.07Å; Q1638-L1640 VanDerWaalsContact C-N 3.32Å |
| 1639 | L | 91 | Very high | 82.8 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 5% | 0.047 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -9.6 | 175.7 | -59.1 | -177.9 | 0 | 0 | 0 | 113.9 | A292 L1584 L1587 I1591 V1636 H1637 | A292-L1639 HydrophobicContact CB-CD2 3.99Å; L1584-L1639 HydrophobicContact CD1-CD1 3.68Å; L1584-L1639 HydrophobicContact CD1-CG 4.26Å; L1584-L1639 HydrophobicContact CG-CD1 4.3Å; L1587-L1639 HydrophobicContact CB-CD1 4.41Å; L1587-L1639 HydrophobicContact CD2-CD1 4.27Å; L1587-L1639 HydrophobicContact CG-CD1 4.18Å; I1591-L1639 HydrophobicContact CD1-CB 4Å; I1591-L1639 HydrophobicContact CD1-CD1 4.32Å; V1636-L1639 WeakPolarHBondContact O-CB 3.5Å; V1636-L1639 PolarHBondContact O-N 3.12Å; H1637-L1639 PolarHBondContact O-N 2.86Å |
| 1640 | L | 90.1 | Very high | 82.2 | Confident | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -107.4 | 165 | -171.9 | -61.7 | 174.9 | 0 | 0 | 0 | 112.4 | S291 I1591 V1618 L1621 Q1622 L1625 H1637 Q1638 | S291-L1640 PolarHBondContact OG-O 3.46Å; I1591-L1640 HydrophobicContact CD1-CD2 4.28Å; V1618-L1640 HydrophobicContact CG2-CD2 4.32Å; L1621-L1640 HydrophobicContact CB-CD2 4.35Å; L1621-L1640 HydrophobicContact CD1-CD2 4.14Å; Q1622-L1640 HydrophobicContact CG-CD1 4.03Å; L1625-L1640 HydrophobicContact CD1-CD1 3.51Å; H1637-L1640 PolarHBondContact O-N 3.38Å; Q1638-L1640 VanDerWaalsContact C-N 3.32Å |
| 1641 | P | 86.8 | Confident | 81.2 | Confident | 21 Ų | 21 | 50 Ų | 50 | 14% | 0.136 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 142.2 | 168.7 | -24.5 | 36.1 | 0 | 0 | 0 | 111.9 | Y1614 V1618 | Y1614-P1641 WeakPolarHBondContact OH-CG 3.3Å; V1618-P1641 HydrophobicContact CG1-CG 4.07Å; V1618-P1641 HydrophobicContact CG2-CG 4.43Å |
| 1642 | L | 87.1 | Confident | 80.1 | Confident | 19 Ų | 19 | 50.4 Ų | 50.4 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -63 | 133.1 | -175.9 | -58.7 | 176.8 | 0 | 0 | 0 | 111.1 | R252 H253 L256 Q290 | R252-L1642 HydrophobicContact CB-CD1 4.29Å; H253-L1642 HydrophobicContact CB-CB 4.12Å; H253-L1642 HydrophobicContact CB-CG 4.44Å; L256-L1642 HydrophobicContact CD1-CD1 3.69Å; Q290-L1642 HydrophobicContact CB-CD2 3.59Å; Q290-L1642 WeakPolarHBondContact O-CD2 3.28Å |
| 1643 | P | 81.9 | Confident | 79 | Confident | 99 Ų | 99 | 52.4 Ų | 52.4 | 64% | 0.643 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 147.1 | -179.8 | 28.8 | -34.8 | 0 | 0 | 0 | 112.1 | Q1645 | P1643-Q1645 PolarHBondContact O-N 3.09Š|
| 1644 | K | 81.7 | Confident | 77.4 | Confident | 79 Ų | 79 | 55.4 Ų | 55.4 | 34% | 0.343 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 126.3 | 173.3 | -69.5 | -178.2 | 172.3 | 179.2 | 0 | 109.9 | D182 F184 D251 N1646 | D182-K1644 IonicContact OD2-NZ 3.69Å; D182-K1644 PolarHBondContact OD2-NZ 3.04Å; F184-K1644 HydrophobicContact CB-CD 4.32Å; F184-K1644 HydrophobicContact CD2-CD 4.16Å; F184-K1644 HydrophobicContact CG-CD 4.14Å; D251-K1644 WeakPolarHBondContact OD2-CE 3.47Å; D251-K1644 IonicContact OD2-NZ 3.42Å; D251-K1644 PolarHBondContact OD2-NZ 3.35Å; K1644-N1646 PolarHBondContact O-N 3.46Å; K1644-N1646 VanDerWaalsContact O-N 3.09Å |
| 1645 | Q | 75.4 | Confident | 75.8 | Confident | 79 Ų | 79 | 53.6 Ų | 53.6 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | trans | -74.6 | 99.8 | -177.7 | -77.6 | -177.1 | -20.7 | 0 | 0 | 111 | P1643 P1688 | P1643-Q1645 PolarHBondContact O-N 3.09Å; Q1645-P1688 VanDerWaalsContact O-CD 3.27Å; Q1645-P1688 WeakPolarHBondContact O-CD 3.43Å; Q1645-P1688 VanDerWaalsContact O-CG 3.23Å; Q1645-P1688 WeakPolarHBondContact O-CG 3.28Å | ||
| 1646 | N | 73.8 | Confident | 74.4 | Confident | 70 Ų | 70 | 52.8 Ų | 52.8 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 148.4 | 163 | -67.4 | -34.2 | 0 | 0 | 0 | 109.7 | K1644 K1685 I1686 | K1644-N1646 PolarHBondContact O-N 3.46Å; K1644-N1646 VanDerWaalsContact O-N 3.09Å; N1646-K1685 HydrophobicContact CB-CB 3.93Å; N1646-K1685 HydrophobicContact CB-CG 4.23Å; N1646-I1686 CarbonylContact C-O 3.52Å; N1646-I1686 WeakPolarHBondContact CA-O 3.38Å |
| 1647 | R | 68.6 | Low | 72.7 | Confident | 81 Ų | 81 | 54.1 Ų | 54.1 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 122.9 | 171.7 | -74 | -171.6 | 169.7 | 137 | 11 | 109.7 | D247 I1686 | D247-R1647 IonicContact OD1-CZ 3.61Å; D247-R1647 VanDerWaalsContact OD1-CZ 3.26Å; D247-R1647 IonicContact OD1-NH1 2.71Å; D247-R1647 PolarHBondContact OD1-NH1 3.32Å; D247-R1647 IonicContact OD1-NH2 3.29Å; D247-R1647 PolarHBondContact OD1-NH2 2.92Å; R1647-I1686 PolarHBondContact N-O 3.22Å; R1647-I1686 PolarHBondContact O-N 3.43Å |
| 1648 | D | 67.8 | Low | 71.1 | Confident | 77 Ų | 77 | 54.8 Ų | 54.8 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 119.2 | 174.7 | -72.4 | -37.2 | 0 | 0 | 0 | 109.9 | K1683 K1685 | D1648-K1683 HydrophobicContact CB-CG 4.36Å; D1648-K1683 VanDerWaalsContact OD1-CE 3.26Å; D1648-K1683 WeakPolarHBondContact OD1-CE 3.46Å; D1648-K1683 IonicContact OD1-NZ 2.84Å; D1648-K1683 WeakPolarHBondContact OD2-CE 3.26Å; D1648-K1683 IonicContact OD2-NZ 2.78Å; D1648-K1683 PolarHBondContact OD2-NZ 2.72Å; D1648-K1685 WeakPolarHBondContact OD1-CE 3.47Å; D1648-K1685 WeakPolarHBondContact OD1-CG 3.48Å |
| 1649 | V | 60.9 | Low | 69.7 | Low | 22 Ų | 22 | 58.8 Ų | 58.8 | 13% | 0.133 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.4 | 174.1 | 173.6 | 0 | 0 | 0 | 0 | 109.1 | Q1684 I1686 L1702 | V1649-Q1684 PolarHBondContact N-O 3.17Å; V1649-Q1684 PolarHBondContact O-N 2.74Å; V1649-I1686 HydrophobicContact CB-CD1 4.15Å; V1649-I1686 HydrophobicContact CG2-CD1 3.7Å; V1649-I1686 HydrophobicContact CG2-CG1 4.13Å; V1649-L1702 HydrophobicContact CG1-CD2 3.74Å; V1649-L1702 HydrophobicContact CG2-CD2 4.04Å |
| 1650 | I | 63.5 | Low | 68.6 | Low | 95 Ų | 95 | 60.9 Ų | 60.9 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 122.5 | 175.3 | -57.3 | -180 | 0 | 0 | 0 | 108.5 | V1680 | I1650-V1680 HydrophobicContact CG2-CB 4.28Å; I1650-V1680 HydrophobicContact CG2-CG1 3.68Å; I1650-V1680 HydrophobicContact CG2-CG2 3.73Å |
| 1651 | T | 63.5 | Low | 67.6 | Low | 36 Ų | 36 | 67.9 Ų | 67.9 | 22% | 0.221 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 141.3 | 169.5 | 64.6 | 0 | 0 | 0 | 0 | 109.3 | S1681 T1682 Q1684 | T1651-S1681 PolarHBondContact O-N 2.87Å; T1651-S1681 PolarHBondContact O-OG 3.18Å; T1651-S1681 PolarHBondContact OG1-OG 3.46Å; T1651-T1682 PolarHBondContact N-O 2.85Å; T1651-T1682 PolarHBondContact OG1-N 2.82Å; T1651-T1682 PolarHBondContact OG1-O 2.96Å; T1651-T1682 PolarHBondContact OG1-OG1 3.32Å; T1651-Q1684 HydrophobicContact CG2-CB 4.31Å |
| 1652 | C | 59.9 | Low | 66.4 | Low | 68 Ų | 68 | 75.2 Ų | 75.2 | 46% | 0.459 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 144 | -177.9 | -59 | 0 | 0 | 0 | 0 | 110.5 | L1678 Q1679 | C1652-L1678 HydrophobicContact CB-CB 4.32Å; C1652-L1678 HydrophobicContact CB-CD2 4.32Å; C1652-Q1679 CarbonylContact C-O 3.52Å; C1652-Q1679 VanDerWaalsContact CA-O 3.24Å; C1652-Q1679 WeakPolarHBondContact CA-O 3.23Å |
| 1653 | E | 64 | Low | 65.1 | Low | 49 Ų | 49 | 76.8 Ų | 76.8 | 23% | 0.229 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 167.8 | 174.6 | 81.3 | -176.3 | 124.8 | 0 | 0 | 111.8 | Q1655 S1657 K1665 Q1679 S1681 | E1653-Q1655 PolarHBondContact O-N 2.93Å; E1653-S1657 WeakPolarHBondContact OE2-CB 3.28Å; E1653-S1657 PolarHBondContact OE2-OG 3.43Å; E1653-K1665 VanDerWaalsContact OE2-CE 3.31Å; E1653-K1665 WeakPolarHBondContact OE2-CE 3.42Å; E1653-K1665 IonicContact OE2-NZ 3.92Å; E1653-K1665 PolarHBondContact OE2-NZ 3.2Å; E1653-Q1679 PolarHBondContact N-O 3.48Å; E1653-Q1679 PolarHBondContact O-N 3.45Å; E1653-S1681 WeakPolarHBondContact OE1-CB 3.21Å |
| 1654 | P | 55.5 | Low | 64.2 | Low | 74 Ų | 74 | 76.4 Ų | 76.4 | 48% | 0.481 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 124.6 | 174.3 | -20.9 | 34.2 | 0 | 0 | 0 | 111.6 | G1656 S1657 | P1654-G1656 PolarHBondContact O-N 3.09Å; P1654-S1657 WeakPolarHBondContact O-CB 3.46Å; P1654-S1657 PolarHBondContact O-N 2.89Å; P1654-S1657 PolarHBondContact O-OG 2.7Å |
| 1655 | Q | 53.9 | Low | 62.9 | Low | 90 Ų | 90 | 78.4 Ų | 78.4 | 42% | 0.421 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 128.2 | 176.5 | -171.6 | 160.5 | 16.6 | 0 | 0 | 110.2 | E1653 G1677 Q1679 | E1653-Q1655 PolarHBondContact O-N 2.93Å; Q1655-G1677 VanDerWaalsContact CB-O 3.28Å; Q1655-G1677 WeakPolarHBondContact CB-O 3.48Å; Q1655-G1677 PolarHBondContact N-O 3.48Å; Q1655-Q1679 HydrophobicContact CB-CB 4.01Å; Q1655-Q1679 HydrophobicContact CG-CB 4.24Å |
| 1656 | G | 62.4 | Low | 62.3 | Low | 39 Ų | 39 | 78.2 Ų | 78.2 | 40% | 0.402 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 114.6 | -12.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | P1654 L1658 | P1654-G1656 PolarHBondContact O-N 3.09Å; G1656-L1658 PolarHBondContact O-N 2.82Å |
| 1657 | S | 56.9 | Low | 61.3 | Low | 31 Ų | 31 | 79.9 Ų | 79.9 | 22% | 0.217 | 45% | 0.454 | C | S | . | . | trans | -64.3 | 81.1 | 179.7 | -65.9 | 0 | 0 | 0 | 0 | 114.2 | E1653 P1654 K1665 | E1653-S1657 WeakPolarHBondContact OE2-CB 3.28Å; E1653-S1657 PolarHBondContact OE2-OG 3.43Å; P1654-S1657 WeakPolarHBondContact O-CB 3.46Å; P1654-S1657 PolarHBondContact O-N 2.89Å; P1654-S1657 PolarHBondContact O-OG 2.7Å; S1657-K1665 VanDerWaalsContact CB-NZ 3.32Å; S1657-K1665 PolarHBondContact OG-NZ 3.37Å | ||
| 1658 | L | 56.6 | Low | 60.7 | Low | 91 Ų | 91 | 78.8 Ų | 78.8 | 48% | 0.476 | 47% | 0.468 | S | S | . | . | trans | -70.3 | 132 | 169.8 | -116.7 | 77.2 | 0 | 0 | 0 | 111.1 | G1656 K1665 I1666 | G1656-L1658 PolarHBondContact O-N 2.82Å; L1658-K1665 WeakPolarHBondContact O-CA 3.31Å; L1658-I1666 HydrophobicContact CB-CD1 4.43Å; L1658-I1666 HydrophobicContact CD2-CD1 4.46Å; L1658-I1666 PolarHBondContact O-N 2.69Å | ||
| 1659 | I | 63.1 | Low | 59.8 | Low | 101 Ų | 101 | 80.9 Ų | 80.9 | 52% | 0.518 | 47% | 0.474 | S | S | . | . | B | Isolated β-bridge | trans | -111 | 146.8 | 172 | 49.4 | 163.8 | 0 | 0 | 0 | 110.9 | N1664 K1665 | I1659-N1664 CarbonylContact C-O 3.59Å; I1659-N1664 VanDerWaalsContact CA-O 3.28Å; I1659-N1664 WeakPolarHBondContact CA-O 3.36Å; I1659-K1665 HydrophobicContact CG2-CG 3.89Å |
| 1660 | D | 68.2 | Low | 59.3 | Low | 53 Ų | 53 | 86.1 Ų | 86.1 | 28% | 0.283 | 50% | 0.501 | S | S | . | . | trans | -73.1 | 172.2 | 173.3 | 78.3 | -2 | 0 | 0 | 0 | 111.7 | K1662 G1663 N1664 I1666 | D1660-K1662 PolarHBondContact O-N 3.27Å; D1660-K1662 VanDerWaalsContact OD1-CA 3.25Å; D1660-K1662 WeakPolarHBondContact OD1-CA 3.32Å; D1660-K1662 WeakPolarHBondContact OD1-CB 3.36Å; D1660-K1662 PolarHBondContact OD1-N 2.93Å; D1660-G1663 PolarHBondContact O-N 2.76Å; D1660-G1663 PolarHBondContact OD1-N 2.93Å; D1660-N1664 PolarHBondContact N-O 3.48Å; D1660-N1664 PolarHBondContact OD1-N 3.06Å; D1660-N1664 PolarHBondContact OD1-ND2 3.34Å; D1660-N1664 VanDerWaalsContact OD1-ND2 3.16Å; D1660-N1664 PolarHBondContact OD2-ND2 3.13Å; D1660-I1666 HydrophobicContact CB-CD1 4.27Å; D1660-I1666 HydrophobicContact CB-CG1 4.13Å | ||
| 1661 | T | 68.3 | Low | 58.7 | Low | 151 Ų | 151 | 86.3 Ų | 86.3 | 93% | 0.926 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 5.1 | 177 | 51.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1662 | K | 60.9 | Low | 58.1 | Low | 176 Ų | 176 | 90.1 Ų | 90.1 | 77% | 0.765 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119 | 2.7 | 175.4 | -60.8 | 172.5 | -177.3 | 172.4 | 0 | 112.3 | D1660 N1664 | D1660-K1662 PolarHBondContact O-N 3.27Å; D1660-K1662 VanDerWaalsContact OD1-CA 3.25Å; D1660-K1662 WeakPolarHBondContact OD1-CA 3.32Å; D1660-K1662 WeakPolarHBondContact OD1-CB 3.36Å; D1660-K1662 PolarHBondContact OD1-N 2.93Å; K1662-N1664 WeakPolarHBondContact CB-ND2 3.46Å |
| 1663 | G | 59.9 | Low | 57.3 | Low | 52 Ų | 52 | 96 Ų | 96 | 54% | 0.536 | 55% | 0.547 | S | S | . | . | S | Bend | trans | 85.1 | 12.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | D1660 | D1660-G1663 PolarHBondContact O-N 2.76Å; D1660-G1663 PolarHBondContact OD1-N 2.93Å |
| 1664 | N | 63.9 | Low | 56.5 | Low | 91 Ų | 91 | 103.8 Ų | 103.8 | 49% | 0.487 | 58% | 0.58 | S | S | . | * | trans | -90.8 | 138.1 | 176.8 | -48.5 | -74.6 | 0 | 0 | 0 | 110.5 | I1659 D1660 K1662 I1666 | I1659-N1664 CarbonylContact C-O 3.59Å; I1659-N1664 VanDerWaalsContact CA-O 3.28Å; I1659-N1664 WeakPolarHBondContact CA-O 3.36Å; D1660-N1664 PolarHBondContact N-O 3.48Å; D1660-N1664 PolarHBondContact OD1-N 3.06Å; D1660-N1664 PolarHBondContact OD1-ND2 3.34Å; D1660-N1664 VanDerWaalsContact OD1-ND2 3.16Å; D1660-N1664 PolarHBondContact OD2-ND2 3.13Å; K1662-N1664 WeakPolarHBondContact CB-ND2 3.46Å; N1664-I1666 PolarHBondContact O-N 3.23Å | ||
| 1665 | K | 54.4 | Low | 56 | Low | 120 Ų | 120 | 108 Ų | 108 | 52% | 0.522 | 59% | 0.59 | S | S | . | * | B | Isolated β-bridge | trans | -67.1 | 130.2 | 175.3 | -67.3 | -160.4 | 171 | -159.8 | 0 | 111.5 | E1653 S1657 L1658 I1659 A1667 | E1653-K1665 VanDerWaalsContact OE2-CE 3.31Å; E1653-K1665 WeakPolarHBondContact OE2-CE 3.42Å; E1653-K1665 IonicContact OE2-NZ 3.92Å; E1653-K1665 PolarHBondContact OE2-NZ 3.2Å; S1657-K1665 VanDerWaalsContact CB-NZ 3.32Å; S1657-K1665 PolarHBondContact OG-NZ 3.37Å; L1658-K1665 WeakPolarHBondContact O-CA 3.31Å; I1659-K1665 HydrophobicContact CG2-CG 3.89Å; K1665-A1667 PolarHBondContact O-N 3.47Å |
| 1666 | I | 62.8 | Low | 55.9 | Low | 75 Ų | 75 | 111.7 Ų | 111.7 | 39% | 0.385 | 61% | 0.608 | S | S | . | * | trans | -82.2 | 103.1 | 179.7 | -55.6 | 179 | 0 | 0 | 0 | 108.7 | L1658 D1660 N1664 G1668 | L1658-I1666 HydrophobicContact CB-CD1 4.43Å; L1658-I1666 HydrophobicContact CD2-CD1 4.46Å; L1658-I1666 PolarHBondContact O-N 2.69Å; D1660-I1666 HydrophobicContact CB-CD1 4.27Å; D1660-I1666 HydrophobicContact CB-CG1 4.13Å; N1664-I1666 PolarHBondContact O-N 3.23Å; I1666-G1668 PolarHBondContact O-N 2.94Å | ||
| 1667 | A | 51.3 | Low | 55.7 | Low | 105 Ų | 105 | 111.5 Ų | 111.5 | 87% | 0.868 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 116.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | K1665 | K1665-A1667 PolarHBondContact O-N 3.47Š|
| 1668 | G | 56.5 | Low | 55.8 | Low | 58 Ų | 58 | 116.2 Ų | 116.2 | 60% | 0.598 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.4 | -4.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 117 | I1666 | I1666-G1668 PolarHBondContact O-N 2.94Š|
| 1669 | F | 48.8 | Very low | 56.1 | Low | 121 Ų | 121 | 116.5 Ų | 116.5 | 53% | 0.531 | 63% | 0.627 | S | S | . | * | trans | -91.5 | -3.1 | -173.9 | -125.5 | -91.6 | 0 | 0 | 0 | 115.7 | S1671 | F1669-S1671 PolarHBondContact O-N 3.1Š| ||
| 1670 | D | 51.4 | Low | 56.1 | Low | 132 Ų | 132 | 115.9 Ų | 115.9 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 2.3 | -173.3 | -53.8 | -70.1 | 0 | 0 | 0 | 115.5 | ||
| 1671 | S | 49.6 | Very low | 56 | Low | 100 Ų | 100 | 115.6 Ų | 115.6 | 70% | 0.699 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -9.6 | -163.2 | 57 | 0 | 0 | 0 | 0 | 116.2 | F1669 | F1669-S1671 PolarHBondContact O-N 3.1Š|
| 1672 | I | 51.1 | Low | 55.8 | Low | 115 Ų | 115 | 112.3 Ų | 112.3 | 59% | 0.59 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -106.2 | -26.9 | -164.8 | -60.8 | -177.3 | 0 | 0 | 0 | 114.8 | ||
| 1673 | F | 43.3 | Very low | 56.1 | Low | 193 Ų | 193 | 109.3 Ų | 109.3 | 85% | 0.846 | 60% | 0.597 | S | S | * | * | trans | -128.3 | 117.6 | 179 | -88.8 | -82.7 | 0 | 0 | 0 | 114.2 | K1675 | F1673-K1675 PolarHBondContact O-N 3.2Š| ||
| 1674 | K | 47.9 | Very low | 56.4 | Low | 211 Ų | 211 | 111.8 Ų | 111.8 | 92% | 0.917 | 59% | 0.594 | S | S | * | * | trans | -75.6 | 73.8 | 179.2 | -64.8 | 180 | 178.3 | 177.8 | 0 | 112.9 | ||||
| 1675 | K | 44.3 | Very low | 56.7 | Low | 162 Ų | 162 | 112 Ų | 112 | 70% | 0.704 | 59% | 0.591 | S | S | * | * | trans | -136.7 | 80.2 | 164.3 | -76.1 | -165.6 | 175.3 | -176.2 | 0 | 110.9 | F1673 | F1673-K1675 PolarHBondContact O-N 3.2Š| ||
| 1676 | E | 53.4 | Low | 57.4 | Low | 168 Ų | 168 | 107.3 Ų | 107.3 | 79% | 0.785 | 57% | 0.571 | S | S | * | * | trans | -65.4 | 129.4 | 168.1 | -65 | 177.9 | -176.2 | 0 | 0 | 109.7 | ||||
| 1677 | G | 56.7 | Low | 58.1 | Low | 36 Ų | 36 | 104.7 Ų | 104.7 | 37% | 0.371 | 56% | 0.559 | S | S | . | * | trans | -173.2 | 171.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q1655 | Q1655-G1677 VanDerWaalsContact CB-O 3.28Å; Q1655-G1677 WeakPolarHBondContact CB-O 3.48Å; Q1655-G1677 PolarHBondContact N-O 3.48Å | ||
| 1678 | L | 58.4 | Low | 59.4 | Low | 130 Ų | 130 | 99.7 Ų | 99.7 | 68% | 0.681 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 118.5 | 165.9 | -75.9 | 173.2 | 0 | 0 | 0 | 108.6 | C1652 | C1652-L1678 HydrophobicContact CB-CB 4.32Å; C1652-L1678 HydrophobicContact CB-CD2 4.32Å |
| 1679 | Q | 62.9 | Low | 60.6 | Low | 97 Ų | 97 | 97.7 Ų | 97.7 | 45% | 0.453 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 137.5 | 171 | -178 | 167.2 | -16.8 | 0 | 0 | 108.7 | C1652 E1653 Q1655 S1681 | C1652-Q1679 CarbonylContact C-O 3.52Å; C1652-Q1679 VanDerWaalsContact CA-O 3.24Å; C1652-Q1679 WeakPolarHBondContact CA-O 3.23Å; E1653-Q1679 PolarHBondContact N-O 3.48Å; E1653-Q1679 PolarHBondContact O-N 3.45Å; Q1655-Q1679 HydrophobicContact CB-CB 4.01Å; Q1655-Q1679 HydrophobicContact CG-CB 4.24Å; Q1679-S1681 PolarHBondContact O-N 3.13Å |
| 1680 | V | 63.3 | Low | 61.7 | Low | 88 Ų | 88 | 98 Ų | 98 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 120.3 | 168.4 | 172.8 | 0 | 0 | 0 | 0 | 107.8 | I1650 | I1650-V1680 HydrophobicContact CG2-CB 4.28Å; I1650-V1680 HydrophobicContact CG2-CG1 3.68Å; I1650-V1680 HydrophobicContact CG2-CG2 3.73Å |
| 1681 | S | 67 | Low | 62.5 | Low | 46 Ų | 46 | 93.2 Ų | 93.2 | 32% | 0.322 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -56.8 | -178.4 | 62.1 | 0 | 0 | 0 | 0 | 111.1 | T1651 E1653 Q1679 | T1651-S1681 PolarHBondContact O-N 2.87Å; T1651-S1681 PolarHBondContact O-OG 3.18Å; T1651-S1681 PolarHBondContact OG1-OG 3.46Å; E1653-S1681 WeakPolarHBondContact OE1-CB 3.21Å; Q1679-S1681 PolarHBondContact O-N 3.13Å |
| 1682 | T | 65.1 | Low | 63.2 | Low | 82 Ų | 82 | 89.8 Ų | 89.8 | 50% | 0.503 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 154.8 | 178.6 | 75.6 | 0 | 0 | 0 | 0 | 113.1 | T1651 | T1651-T1682 PolarHBondContact N-O 2.85Å; T1651-T1682 PolarHBondContact OG1-N 2.82Å; T1651-T1682 PolarHBondContact OG1-O 2.96Å; T1651-T1682 PolarHBondContact OG1-OG1 3.32Å |
| 1683 | K | 66.5 | Low | 63.5 | Low | 113 Ų | 113 | 88 Ų | 88 | 49% | 0.491 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 102.4 | 174.5 | -176.1 | -174.9 | 173.7 | -164.6 | 0 | 108.3 | D1648 | D1648-K1683 HydrophobicContact CB-CG 4.36Å; D1648-K1683 VanDerWaalsContact OD1-CE 3.26Å; D1648-K1683 WeakPolarHBondContact OD1-CE 3.46Å; D1648-K1683 IonicContact OD1-NZ 2.84Å; D1648-K1683 WeakPolarHBondContact OD2-CE 3.26Å; D1648-K1683 IonicContact OD2-NZ 2.78Å; D1648-K1683 PolarHBondContact OD2-NZ 2.72Å |
| 1684 | Q | 66.7 | Low | 63.9 | Low | 104 Ų | 104 | 79.7 Ų | 79.7 | 49% | 0.486 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 122.1 | -175.6 | -173.2 | 176.3 | 5.3 | 0 | 0 | 111.3 | V1649 T1651 I1686 | V1649-Q1684 PolarHBondContact N-O 3.17Å; V1649-Q1684 PolarHBondContact O-N 2.74Å; T1651-Q1684 HydrophobicContact CG2-CB 4.31Å; Q1684-I1686 HydrophobicContact CG-CG1 4.31Å |
| 1685 | K | 69.6 | Low | 64.1 | Low | 96 Ų | 96 | 72.1 Ų | 72.1 | 42% | 0.417 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 122.2 | 172.9 | -78.5 | 165.7 | 179 | 170.4 | 0 | 110.4 | E1627 N1646 D1648 | E1627-K1685 IonicContact OE1-NZ 3.15Å; E1627-K1685 PolarHBondContact OE1-NZ 2.92Å; E1627-K1685 IonicContact OE2-NZ 3.52Å; E1627-K1685 PolarHBondContact OE2-NZ 2.96Å; N1646-K1685 HydrophobicContact CB-CB 3.93Å; N1646-K1685 HydrophobicContact CB-CG 4.23Å; D1648-K1685 WeakPolarHBondContact OD1-CE 3.47Å; D1648-K1685 WeakPolarHBondContact OD1-CG 3.48Å |
| 1686 | I | 69.2 | Low | 63.9 | Low | 22 Ų | 22 | 73.3 Ų | 73.3 | 11% | 0.113 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 139.8 | 178.6 | -56 | -171.1 | 0 | 0 | 0 | 109.5 | N1646 R1647 V1649 Q1684 E1690 L1691 L1702 | N1646-I1686 CarbonylContact C-O 3.52Å; N1646-I1686 WeakPolarHBondContact CA-O 3.38Å; R1647-I1686 PolarHBondContact N-O 3.22Å; R1647-I1686 PolarHBondContact O-N 3.43Å; V1649-I1686 HydrophobicContact CB-CD1 4.15Å; V1649-I1686 HydrophobicContact CG2-CD1 3.7Å; V1649-I1686 HydrophobicContact CG2-CG1 4.13Å; Q1684-I1686 HydrophobicContact CG-CG1 4.31Å; I1686-E1690 HydrophobicContact CG2-CB 4.21Å; I1686-L1691 HydrophobicContact CG2-CD2 4.15Å; I1686-L1702 HydrophobicContact CD1-CD1 4.21Å; I1686-L1702 HydrophobicContact CD1-CD2 4.48Å |
| 1687 | S | 77 | Confident | 63.4 | Low | 19 Ų | 19 | 71 Ų | 71 | 13% | 0.133 | 37% | 0.374 | C | S | . | . | trans | -75.9 | 138.7 | 178.8 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | F184 W1689 E1690 | F184-S1687 WeakPolarHBondContact CZ-OG 3.42Å; S1687-W1689 PolarHBondContact O-N 2.85Å; S1687-W1689 PolarHBondContact OG-N 2.91Å; S1687-E1690 WeakPolarHBondContact CB-OE2 3.46Å; S1687-E1690 PolarHBondContact N-OE2 2.9Å; S1687-E1690 PolarHBondContact O-N 3.27Å | ||
| 1688 | P | 78.9 | Confident | 62.4 | Low | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.006 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -56.2 | -22.6 | 172.5 | -27.2 | 37.1 | 0 | 0 | 0 | 114 | K161 D247 M249 Q1645 E1690 | K161-P1688 WeakPolarHBondContact CE-O 3.46Å; K161-P1688 PolarHBondContact NZ-O 2.94Å; D247-P1688 WeakPolarHBondContact O-CB 3.49Å; D247-P1688 WeakPolarHBondContact O-CG 3.32Å; M249-P1688 HydrophobicContact CG-CB 4.43Å; Q1645-P1688 VanDerWaalsContact O-CD 3.27Å; Q1645-P1688 WeakPolarHBondContact O-CD 3.43Å; Q1645-P1688 VanDerWaalsContact O-CG 3.23Å; Q1645-P1688 WeakPolarHBondContact O-CG 3.28Å; P1688-E1690 VanDerWaalsContact C-N 3.32Å |
| 1689 | W | 81 | Confident | 61.4 | Low | 16 Ų | 16 | 74 Ų | 74 | 6% | 0.061 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -73.3 | -18.2 | 175.8 | -69.5 | 98.1 | 0 | 0 | 0 | 114.4 | I160 K161 C164 P183 F184 W187 M244 M249 S1687 F1692 | I160-W1689 HydrophobicContact CG2-CH2 3.8Å; I160-W1689 HydrophobicContact CG2-CZ3 3.89Å; K161-W1689 HydrophobicContact CG-CE3 4.1Å; K161-W1689 HydrophobicContact CG-CZ3 4.29Å; C164-W1689 HydrophobicContact CB-CE3 3.87Å; C164-W1689 HydrophobicContact CB-CZ3 3.66Å; P183-W1689 HydrophobicContact CB-CD2 3.7Å; P183-W1689 HydrophobicContact CB-CE3 4.28Å; P183-W1689 HydrophobicContact CB-CG 3.83Å; P183-W1689 HydrophobicContact CB-CZ2 4.31Å; F184-W1689 AromaticContact CD1-NE1 3.84Å; F184-W1689 AromaticContact CE1-CD1 3.99Å; F184-W1689 AromaticContact CE2-CD1 3.99Å; F184-W1689 AromaticContact CG-NE1 3.91Å; F184-W1689 AromaticContact CZ-CD1 3.91Å; W187-W1689 HydrophobicContact CB-CH2 3.73Å; W187-W1689 HydrophobicContact CB-CZ2 3.86Å; W187-W1689 AromaticContact CD1-CH2 3.22Å; W187-W1689 AromaticContact CD1-CZ2 3.77Å; W187-W1689 AromaticContact CD1-CZ3 3.76Å; W187-W1689 HydrophobicContact CD2-CH2 4.12Å; W187-W1689 AromaticContact CG-CH2 3.41Å; W187-W1689 HydrophobicContact CG-CH2 3.41Å; W187-W1689 VanDerWaalsContact CG-CH2 3.41Å; W187-W1689 AromaticContact CG-CZ2 3.98Å; W187-W1689 HydrophobicContact CG-CZ2 3.98Å; W187-W1689 HydrophobicContact CG-CZ3 4.26Å; W187-W1689 AromaticContact NE1-CH2 3.8Å; W187-W1689 AromaticContact NE1-CZ3 3.9Å; M244-W1689 HydrophobicContact CE-CH2 4.42Å; M249-W1689 HydrophobicContact CB-CZ2 3.87Å; M249-W1689 HydrophobicContact CE-CD2 4.41Å; M249-W1689 HydrophobicContact CE-CE3 4.04Å; M249-W1689 HydrophobicContact CE-CH2 3.43Å; M249-W1689 VanDerWaalsContact CE-CH2 3.43Å; M249-W1689 HydrophobicContact CE-CZ2 3.86Å; M249-W1689 HydrophobicContact CE-CZ3 3.54Å; M249-W1689 WeakPolarHBondContact O-CZ2 3.4Å; M249-W1689 PolarHBondContact O-NE1 2.88Å; S1687-W1689 PolarHBondContact O-N 2.85Å; S1687-W1689 PolarHBondContact OG-N 2.91Å; W1689-F1692 WeakPolarHBondContact O-CZ 3.38Å |
| 1690 | E | 72.6 | Confident | 60.2 | Low | 126 Ų | 126 | 73.9 Ų | 73.9 | 59% | 0.589 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -89.9 | -7.6 | -179.3 | -63.6 | 171.3 | 131 | 0 | 0 | 112.7 | I1686 S1687 P1688 F1692 | I1686-E1690 HydrophobicContact CG2-CB 4.21Å; S1687-E1690 WeakPolarHBondContact CB-OE2 3.46Å; S1687-E1690 PolarHBondContact N-OE2 2.9Å; S1687-E1690 PolarHBondContact O-N 3.27Å; P1688-E1690 VanDerWaalsContact C-N 3.32Å; E1690-F1692 WeakPolarHBondContact O-CD2 3.33Å |
| 1691 | L | 68.2 | Low | 59.2 | Low | 32 Ų | 32 | 74.1 Ų | 74.1 | 17% | 0.168 | 41% | 0.414 | C | S | . | . | trans | -93.5 | 104.7 | -174.8 | -60.9 | 176.9 | 0 | 0 | 0 | 111.7 | I1686 L1702 | I1686-L1691 HydrophobicContact CG2-CD2 4.15Å; L1691-L1702 HydrophobicContact CD2-CD1 3.92Å | ||
| 1692 | F | 64.9 | Low | 57.9 | Low | 28 Ų | 28 | 75 Ų | 75 | 12% | 0.123 | 42% | 0.415 | C | S | . | . | trans | -113.3 | 121.2 | -177.2 | -60.5 | -75.4 | 0 | 0 | 0 | 113.7 | M96 K161 M162 A165 W1689 E1690 L1695 W1704 | M96-F1692 HydrophobicContact CE-CD2 4.23Å; M96-F1692 HydrophobicContact CE-CE2 3.93Å; K161-F1692 HydrophobicContact CB-CD1 4.26Å; K161-F1692 HydrophobicContact CB-CE1 3.86Å; M162-F1692 HydrophobicContact CE-CB 4.41Å; M162-F1692 HydrophobicContact CE-CD1 3.3Å; M162-F1692 HydrophobicContact CE-CE1 3.75Å; M162-F1692 HydrophobicContact CE-CG 4.03Å; A165-F1692 HydrophobicContact CB-CE1 4.05Å; A165-F1692 HydrophobicContact CB-CZ 3.81Å; W1689-F1692 WeakPolarHBondContact O-CZ 3.38Å; E1690-F1692 WeakPolarHBondContact O-CD2 3.33Å; F1692-L1695 HydrophobicContact CB-CD1 4.06Å; F1692-W1704 WeakPolarHBondContact O-CZ2 3.49Å | ||
| 1693 | E | 57.1 | Low | 56.7 | Low | 78 Ų | 78 | 74.7 Ų | 74.7 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -74.6 | 131.9 | 169.4 | -75.8 | -171.3 | 178.6 | 0 | 0 | 112.5 | L126 W158 W1704 T1709 | L126-E1693 HydrophobicContact CD1-CB 4.3Å; W158-E1693 PolarHBondContact NE1-O 3.23Å; E1693-W1704 HydrophobicContact CB-CH2 4.46Å; E1693-W1704 HydrophobicContact CG-CH2 3.73Å; E1693-W1704 HydrophobicContact CG-CZ3 3.58Å; E1693-T1709 WeakPolarHBondContact OE1-CB 3.33Å; E1693-T1709 WeakPolarHBondContact OE1-CG2 3.3Å; E1693-T1709 PolarHBondContact OE1-OG1 3.23Å |
| 1694 | G | 52.5 | Low | 55.5 | Low | 18 Ų | 18 | 74.5 Ų | 74.5 | 19% | 0.186 | 41% | 0.412 | C | S | . | . | S | Bend | trans | 107.4 | -13.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | T127 | T127-G1694 VanDerWaalsContact CG2-O 3.29Å; T127-G1694 WeakPolarHBondContact CG2-O 3.19Å |
| 1695 | L | 50.1 | Low | 54.2 | Low | 52 Ų | 52 | 73 Ų | 73 | 27% | 0.272 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 159.9 | 177.1 | -73.4 | 163 | 0 | 0 | 0 | 112.3 | F1692 R1711 | F1692-L1695 HydrophobicContact CB-CD1 4.06Å; L1695-R1711 PolarHBondContact O-NH2 3.5Å |
| 1696 | K | 42 | Very low | 52.7 | Low | 188 Ų | 188 | 78.2 Ų | 78.2 | 82% | 0.817 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -84.8 | 142 | 175.5 | -85.3 | -172.3 | 175.1 | -177.1 | 0 | 110.3 | S1698 | K1696-S1698 PolarHBondContact O-N 3.04Š|
| 1697 | P | 42.5 | Very low | 51.4 | Low | 119 Ų | 119 | 81.1 Ų | 81.1 | 77% | 0.773 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -81.2 | 120 | -178.1 | 31.6 | -33.5 | 0 | 0 | 0 | 112.2 | ||
| 1698 | S | 35.3 | Very low | 49.5 | Very low | 94 Ų | 94 | 83.3 Ų | 83.3 | 66% | 0.657 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -148 | 120.1 | 156.8 | 55 | 0 | 0 | 0 | 0 | 108 | K1696 | K1696-S1698 PolarHBondContact O-N 3.04Š|
| 1699 | T | 37.6 | Very low | 47.4 | Very low | 136 Ų | 136 | 85.9 Ų | 85.9 | 83% | 0.834 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 68.9 | 142 | -163.3 | 71.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1700 | A | 37.4 | Very low | 45.2 | Very low | 93 Ų | 93 | 89 Ų | 89 | 77% | 0.769 | 51% | 0.509 | S | S | * | . | trans | 56.6 | 108.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1701 | P | 42.8 | Very low | 43.7 | Very low | 93 Ų | 93 | 89.1 Ų | 89.1 | 60% | 0.604 | 50% | 0.504 | S | S | * | . | trans | -99.5 | 86.5 | 178.7 | 37 | -31.3 | 0 | 0 | 0 | 113.4 | L86 S1703 | L86-P1701 HydrophobicContact CD1-CB 4.28Å; L86-P1701 HydrophobicContact CD1-CG 3.8Å; L86-P1701 HydrophobicContact CD2-CG 4.24Å; L86-P1701 HydrophobicContact CG-CG 4.43Å; P1701-S1703 PolarHBondContact O-N 3.25Å | ||
| 1702 | L | 39.1 | Very low | 42.3 | Very low | 66 Ų | 66 | 94 Ų | 94 | 35% | 0.346 | 53% | 0.534 | S | S | . | . | trans | -73 | 118.5 | 156.5 | -77 | 173.6 | 0 | 0 | 0 | 109 | V1649 I1686 L1691 W1704 | V1649-L1702 HydrophobicContact CG1-CD2 3.74Å; V1649-L1702 HydrophobicContact CG2-CD2 4.04Å; I1686-L1702 HydrophobicContact CD1-CD1 4.21Å; I1686-L1702 HydrophobicContact CD1-CD2 4.48Å; L1691-L1702 HydrophobicContact CD2-CD1 3.92Å; L1702-W1704 VanDerWaalsContact O-CD1 3.27Å; L1702-W1704 PolarHBondContact O-N 3.47Å | ||
| 1703 | S | 40.9 | Very low | 41.1 | Very low | 75 Ų | 75 | 99 Ų | 99 | 52% | 0.524 | 56% | 0.563 | S | S | . | * | trans | -75.1 | 106.1 | 176.5 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | P1701 A1705 W1706 | P1701-S1703 PolarHBondContact O-N 3.25Å; S1703-A1705 PolarHBondContact O-N 3.26Å; S1703-W1706 PolarHBondContact O-N 3.03Å; S1703-W1706 VanDerWaalsContact O-N 3.16Å | ||
| 1704 | W | 39.7 | Very low | 40.3 | Very low | 109 Ų | 109 | 104.7 Ų | 104.7 | 41% | 0.413 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -60 | -11.2 | -179 | -72 | 80.3 | 0 | 0 | 0 | 114.6 | F1692 E1693 L1702 W1706 F1707 | F1692-W1704 WeakPolarHBondContact O-CZ2 3.49Å; E1693-W1704 HydrophobicContact CB-CH2 4.46Å; E1693-W1704 HydrophobicContact CG-CH2 3.73Å; E1693-W1704 HydrophobicContact CG-CZ3 3.58Å; L1702-W1704 VanDerWaalsContact O-CD1 3.27Å; L1702-W1704 PolarHBondContact O-N 3.47Å; W1704-W1706 PolarHBondContact O-N 3.43Å; W1704-F1707 PolarHBondContact O-N 2.91Å |
| 1705 | A | 39.7 | Very low | 39.7 | Very low | 73 Ų | 73 | 115.4 Ų | 115.4 | 60% | 0.603 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -60.1 | -21.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S1703 | S1703-A1705 PolarHBondContact O-N 3.26Š|
| 1706 | W | 37.5 | Very low | 39.3 | Very low | 204 Ų | 204 | 115.4 Ų | 115.4 | 77% | 0.773 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -84.3 | -14.6 | -176.7 | -78.2 | 60.4 | 0 | 0 | 0 | 115 | S1703 W1704 | S1703-W1706 PolarHBondContact O-N 3.03Å; S1703-W1706 VanDerWaalsContact O-N 3.16Å; W1704-W1706 PolarHBondContact O-N 3.43Å |
| 1707 | F | 43.3 | Very low | 39.7 | Very low | 83 Ų | 83 | 109 Ų | 109 | 36% | 0.364 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -113.7 | 5.7 | -168.8 | -66.1 | -68.2 | 0 | 0 | 0 | 115.2 | W1704 T1709 | W1704-F1707 PolarHBondContact O-N 2.91Å; F1707-T1709 PolarHBondContact O-N 3.3Å |
| 1708 | G | 36.4 | Very low | 39.9 | Very low | 66 Ų | 66 | 113 Ų | 113 | 68% | 0.68 | 60% | 0.599 | S | S | * | * | trans | 69.9 | -12.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | V1710 | G1708-V1710 PolarHBondContact O-N 3.44Š| ||
| 1709 | T | 34.6 | Very low | 40.7 | Very low | 54 Ų | 54 | 111 Ų | 111 | 33% | 0.331 | 59% | 0.594 | S | S | . | * | trans | -84.5 | 101.6 | 178.7 | 64.9 | 0 | 0 | 0 | 0 | 111.9 | E1693 F1707 | E1693-T1709 WeakPolarHBondContact OE1-CB 3.33Å; E1693-T1709 WeakPolarHBondContact OE1-CG2 3.3Å; E1693-T1709 PolarHBondContact OE1-OG1 3.23Å; F1707-T1709 PolarHBondContact O-N 3.3Å | ||
| 1710 | V | 35.6 | Very low | 41.1 | Very low | 82 Ų | 82 | 108.9 Ų | 108.9 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | trans | -82.5 | 127 | -176.2 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | G1708 V1712 | G1708-V1710 PolarHBondContact O-N 3.44Å; V1710-V1712 PolarHBondContact O-N 3.2Å | ||
| 1711 | R | 40 | Very low | 41.7 | Very low | 129 Ų | 129 | 109.7 Ų | 109.7 | 49% | 0.487 | 56% | 0.563 | S | S | . | * | trans | -61.9 | 109.5 | 162.2 | -75.1 | -171.7 | 179.7 | -164.5 | -2 | 109 | L1695 D1713 R1714 | L1695-R1711 PolarHBondContact O-NH2 3.5Å; R1711-D1713 PolarHBondContact O-N 2.87Å; R1711-R1714 PolarHBondContact O-N 3.41Å | ||
| 1712 | V | 39.8 | Very low | 42.2 | Very low | 133 Ų | 133 | 110.7 Ų | 110.7 | 81% | 0.806 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | -27.3 | -171.5 | -173 | 0 | 0 | 0 | 0 | 113.8 | V1710 R1714 | V1710-V1712 PolarHBondContact O-N 3.2Å; V1712-R1714 PolarHBondContact O-N 2.98Å |
| 1713 | D | 39.5 | Very low | 42.7 | Very low | 135 Ų | 135 | 113.9 Ų | 113.9 | 72% | 0.722 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 10.1 | -172.7 | -50.3 | -49.9 | 0 | 0 | 0 | 115.6 | R1711 | R1711-D1713 PolarHBondContact O-N 2.87Š|
| 1714 | R | 41 | Very low | 43.3 | Very low | 197 Ų | 197 | 117.1 Ų | 117.1 | 74% | 0.743 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -118.2 | 130.9 | 176.3 | -168 | -178.2 | 179.3 | 177.9 | 0.3 | 111.7 | R1711 V1712 V1716 | R1711-R1714 PolarHBondContact O-N 3.41Å; V1712-R1714 PolarHBondContact O-N 2.98Å; R1714-V1716 PolarHBondContact O-N 3.28Å |
| 1715 | R | 38.8 | Very low | 44 | Very low | 243 Ų | 243 | 117.3 Ų | 117.3 | 92% | 0.917 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 124 | 165.8 | -95.7 | -170.5 | 174.7 | -172.1 | -2.2 | 109.8 | ||
| 1716 | V | 42.5 | Very low | 44.7 | Very low | 51 Ų | 51 | 117.9 Ų | 117.9 | 31% | 0.309 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 142.2 | 177.6 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | R1714 E1720 E1721 | R1714-V1716 PolarHBondContact O-N 3.28Å; V1716-E1720 HydrophobicContact CG1-CB 3.47Å; V1716-E1720 VanDerWaalsContact CG1-CB 3.47Å; V1716-E1721 HydrophobicContact CG1-CB 4.05Å |
| 1717 | A | 49.6 | Very low | 45.2 | Very low | 54 Ų | 54 | 113.5 Ų | 113.5 | 45% | 0.446 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -78 | 149.1 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | G1719 E1720 E1721 | A1717-G1719 PolarHBondContact O-N 3.49Å; A1717-E1720 HydrophobicContact CB-CG 4.16Å; A1717-E1720 WeakPolarHBondContact CB-OE2 3.46Å; A1717-E1720 PolarHBondContact N-OE2 3.44Å; A1717-E1720 WeakPolarHBondContact O-CA 3.38Å; A1717-E1720 WeakPolarHBondContact O-CB 3.47Å; A1717-E1720 PolarHBondContact O-N 2.99Å; A1717-E1721 PolarHBondContact O-N 3.23Å |
| 1718 | R | 46.2 | Very low | 45.3 | Very low | 202 Ų | 202 | 118.5 Ų | 118.5 | 76% | 0.762 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -55.9 | -34.4 | -172.4 | -158.5 | -171 | -67.3 | -179.8 | -0.4 | 113.6 | E1721 Q1722 | R1718-E1721 PolarHBondContact O-N 3.03Å; R1718-Q1722 PolarHBondContact O-N 2.56Å |
| 1719 | G | 53.4 | Low | 45.6 | Very low | 53 Ų | 53 | 119.9 Ų | 119.9 | 55% | 0.546 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.1 | -36.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | A1717 E1721 Q1722 Q1723 | A1717-G1719 PolarHBondContact O-N 3.49Å; G1719-E1721 VanDerWaalsContact C-N 3.31Å; G1719-Q1722 WeakPolarHBondContact O-CB 3.28Å; G1719-Q1722 PolarHBondContact O-N 3.43Å; G1719-Q1723 WeakPolarHBondContact O-CB 3.41Å; G1719-Q1723 PolarHBondContact O-N 2.79Å |
| 1720 | E | 44.6 | Very low | 46.3 | Very low | 92 Ų | 92 | 121.4 Ų | 121.4 | 43% | 0.43 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.9 | -34.1 | 173.5 | -61.6 | 171 | 148.9 | 0 | 0 | 110.7 | V1716 A1717 Q1723 R1724 | V1716-E1720 HydrophobicContact CG1-CB 3.47Å; V1716-E1720 VanDerWaalsContact CG1-CB 3.47Å; A1717-E1720 HydrophobicContact CB-CG 4.16Å; A1717-E1720 WeakPolarHBondContact CB-OE2 3.46Å; A1717-E1720 PolarHBondContact N-OE2 3.44Å; A1717-E1720 WeakPolarHBondContact O-CA 3.38Å; A1717-E1720 WeakPolarHBondContact O-CB 3.47Å; A1717-E1720 PolarHBondContact O-N 2.99Å; E1720-Q1723 PolarHBondContact O-N 3.11Å; E1720-R1724 VanDerWaalsContact O-CB 3.27Å; E1720-R1724 WeakPolarHBondContact O-CB 3.48Å; E1720-R1724 PolarHBondContact O-N 3.06Å |
| 1721 | E | 50.7 | Low | 47.1 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 51% | 0.514 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.3 | -44 | 173.4 | -172.7 | 165.8 | -132.2 | 0 | 0 | 111.2 | V1716 A1717 R1718 G1719 Q1723 R1724 L1725 | V1716-E1721 HydrophobicContact CG1-CB 4.05Å; A1717-E1721 PolarHBondContact O-N 3.23Å; R1718-E1721 PolarHBondContact O-N 3.03Å; G1719-E1721 VanDerWaalsContact C-N 3.31Å; E1721-Q1723 PolarHBondContact O-N 2.85Å; E1721-R1724 PolarHBondContact O-N 3.47Å; E1721-L1725 WeakPolarHBondContact O-CG 3.31Å; E1721-L1725 PolarHBondContact O-N 3.23Å |
| 1722 | Q | 53.6 | Low | 47.1 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 53% | 0.533 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -55.7 | -48.1 | 170.5 | -136.4 | 94 | 21.4 | 0 | 0 | 111.7 | R1718 G1719 R1724 L1725 L1726 | R1718-Q1722 PolarHBondContact O-N 2.56Å; G1719-Q1722 WeakPolarHBondContact O-CB 3.28Å; G1719-Q1722 PolarHBondContact O-N 3.43Å; Q1722-R1724 PolarHBondContact O-N 2.97Å; Q1722-L1725 PolarHBondContact O-N 3.27Å; Q1722-L1726 WeakPolarHBondContact O-CG 3.26Å; Q1722-L1726 PolarHBondContact O-N 2.83Å |
| 1723 | Q | 49.7 | Very low | 47.5 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 62% | 0.617 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.9 | -32.8 | -179.5 | -166.4 | 175.2 | 9.9 | 0 | 0 | 112.4 | G1719 E1720 E1721 L1726 L1727 | G1719-Q1723 WeakPolarHBondContact O-CB 3.41Å; G1719-Q1723 PolarHBondContact O-N 2.79Å; E1720-Q1723 PolarHBondContact O-N 3.11Å; E1721-Q1723 PolarHBondContact O-N 2.85Å; Q1723-L1726 PolarHBondContact O-N 3.28Å; Q1723-L1727 PolarHBondContact O-N 3.09Å |
| 1724 | R | 52.7 | Low | 47.9 | Very low | 144 Ų | 144 | 126.3 Ų | 126.3 | 54% | 0.543 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.8 | -32.6 | 175.1 | -171.4 | 175.9 | -177 | -179.3 | 1.5 | 112.9 | E1720 E1721 Q1722 L1727 | E1720-R1724 VanDerWaalsContact O-CB 3.27Å; E1720-R1724 WeakPolarHBondContact O-CB 3.48Å; E1720-R1724 PolarHBondContact O-N 3.06Å; E1721-R1724 PolarHBondContact O-N 3.47Å; Q1722-R1724 PolarHBondContact O-N 2.97Å; R1724-L1727 WeakPolarHBondContact O-CB 3.44Å |
| 1725 | L | 54.6 | Low | 48.4 | Very low | 112 Ų | 112 | 121 Ų | 121 | 59% | 0.586 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.5 | -49.2 | 168.7 | -73.3 | 162.1 | 0 | 0 | 0 | 110.2 | E1721 Q1722 L1727 Y1728 H1729 | E1721-L1725 WeakPolarHBondContact O-CG 3.31Å; E1721-L1725 PolarHBondContact O-N 3.23Å; Q1722-L1725 PolarHBondContact O-N 3.27Å; L1725-L1727 PolarHBondContact O-N 3.31Å; L1725-L1727 VanDerWaalsContact O-N 3.15Å; L1725-Y1728 PolarHBondContact O-N 2.89Å; L1725-H1729 PolarHBondContact O-CD2 3.14Å |
| 1726 | L | 54.2 | Low | 49 | Very low | 86 Ų | 86 | 114 Ų | 114 | 45% | 0.45 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.4 | -22.7 | 177.5 | -71.7 | 168.5 | 0 | 0 | 0 | 114.1 | Q1722 Q1723 Y1728 H1729 | Q1722-L1726 WeakPolarHBondContact O-CG 3.26Å; Q1722-L1726 PolarHBondContact O-N 2.83Å; Q1723-L1726 PolarHBondContact O-N 3.28Å; L1726-Y1728 PolarHBondContact O-N 3.21Å; L1726-Y1728 VanDerWaalsContact O-N 3.12Å; L1726-H1729 WeakPolarHBondContact O-CB 3.11Å; L1726-H1729 PolarHBondContact O-N 3.37Å |
| 1727 | L | 48.2 | Very low | 49.2 | Very low | 112 Ų | 112 | 119.9 Ų | 119.9 | 59% | 0.586 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -21 | 178.6 | -144.1 | 87.9 | 0 | 0 | 0 | 113.9 | Q1723 R1724 L1725 | Q1723-L1727 PolarHBondContact O-N 3.09Å; R1724-L1727 WeakPolarHBondContact O-CB 3.44Å; L1725-L1727 PolarHBondContact O-N 3.31Å; L1725-L1727 VanDerWaalsContact O-N 3.15Å |
| 1728 | Y | 46.4 | Very low | 49.8 | Very low | 187 Ų | 187 | 120.5 Ų | 120.5 | 73% | 0.733 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -2.4 | 176.7 | -64.5 | -78.6 | 0 | 0 | 0 | 113.7 | L1725 L1726 | L1725-Y1728 PolarHBondContact O-N 2.89Å; L1726-Y1728 PolarHBondContact O-N 3.21Å; L1726-Y1728 VanDerWaalsContact O-N 3.12Å |
| 1729 | H | 42.9 | Very low | 50.7 | Low | 96 Ų | 96 | 115.3 Ų | 115.3 | 44% | 0.444 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -81.3 | 145.3 | 176.7 | -70.8 | -127 | 0 | 0 | 0 | 111.3 | L1725 L1726 H1731 | L1725-H1729 PolarHBondContact O-CD2 3.14Å; L1726-H1729 WeakPolarHBondContact O-CB 3.11Å; L1726-H1729 PolarHBondContact O-N 3.37Å; H1729-H1731 VanDerWaalsContact CB-CD2 3.46Å; H1729-H1731 WeakPolarHBondContact CB-CD2 3.19Å; H1729-H1731 AromaticContact ND1-NE2 3.78Å; H1729-H1731 PolarHBondContact O-N 3.14Å |
| 1730 | T | 48.9 | Very low | 50.7 | Low | 85 Ų | 85 | 120.1 Ų | 120.1 | 52% | 0.521 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.7 | 13.6 | -169.7 | 57.7 | 0 | 0 | 0 | 0 | 114.9 | R1735 | T1730-R1735 PolarHBondContact O-NH2 2.84Š|
| 1731 | H | 51.4 | Low | 51.1 | Low | 131 Ų | 131 | 122.4 Ų | 122.4 | 61% | 0.606 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -19.6 | -179.7 | -39.9 | -60.2 | 0 | 0 | 0 | 113.1 | H1729 | H1729-H1731 VanDerWaalsContact CB-CD2 3.46Å; H1729-H1731 WeakPolarHBondContact CB-CD2 3.19Å; H1729-H1731 AromaticContact ND1-NE2 3.78Å; H1729-H1731 PolarHBondContact O-N 3.14Å |
| 1732 | L | 40.8 | Very low | 51.1 | Low | 127 Ų | 127 | 123.7 Ų | 123.7 | 67% | 0.665 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -96.6 | 0.8 | -177.4 | -70.5 | 172.1 | 0 | 0 | 0 | 114.7 | ||
| 1733 | R | 48.4 | Very low | 50.6 | Low | 193 Ų | 193 | 123.9 Ų | 123.9 | 73% | 0.728 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -81.2 | 137.6 | 168.4 | -71.3 | -171.2 | 178.6 | -169.8 | 0.2 | 109.4 | R1735 | R1733-R1735 PolarHBondContact O-N 3.34Š|
| 1734 | P | 46.5 | Very low | 50.4 | Low | 131 Ų | 131 | 124.6 Ų | 124.6 | 85% | 0.851 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 126.3 | 169.3 | -25.1 | 34.3 | 0 | 0 | 0 | 110.4 | ||
| 1735 | R | 51.9 | Low | 50.3 | Low | 85 Ų | 85 | 123.6 Ų | 123.6 | 32% | 0.321 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -95 | 151.2 | 176.7 | -65.1 | -88.8 | 174.6 | 151.1 | -2.9 | 109.3 | T1730 R1733 Y1739 Y1740 | T1730-R1735 PolarHBondContact O-NH2 2.84Å; R1733-R1735 PolarHBondContact O-N 3.34Å; R1735-Y1739 HydrophobicContact CB-CD1 3.32Å; R1735-Y1739 HydrophobicContact CB-CE1 4.07Å; R1735-Y1739 HydrophobicContact CB-CG 3.73Å; R1735-Y1739 HydrophobicContact CG-CD1 3.41Å; R1735-Y1739 VanDerWaalsContact CG-CD1 3.41Å; R1735-Y1739 HydrophobicContact CG-CE1 3.63Å; R1735-Y1739 HydrophobicContact CG-CG 3.99Å; R1735-Y1740 HydrophobicContact CB-CE2 3.78Å |
| 1736 | P | 52.1 | Low | 49.6 | Very low | 96 Ų | 96 | 126 Ų | 126 | 62% | 0.623 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 150.2 | 174.3 | -22.7 | 33.8 | 0 | 0 | 0 | 111.4 | A1738 Y1739 | P1736-A1738 PolarHBondContact O-N 3.17Å; P1736-Y1739 WeakPolarHBondContact O-CB 3.18Å; P1736-Y1739 PolarHBondContact O-N 2.91Å |
| 1737 | R | 46.7 | Very low | 49 | Very low | 176 Ų | 176 | 126.4 Ų | 126.4 | 66% | 0.664 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -49.4 | -35.4 | -179.7 | -126.7 | 178.7 | -167.9 | 160.5 | 4.6 | 112.3 | D1631 Y1739 Y1740 | D1631-R1737 IonicContact OD1-NH2 2.67Å; D1631-R1737 PolarHBondContact OD1-NH2 2.85Å; D1631-R1737 IonicContact OD2-CZ 2.66Å; D1631-R1737 IonicContact OD2-NH1 2.61Å; D1631-R1737 PolarHBondContact OD2-NH1 3.21Å; D1631-R1737 IonicContact OD2-NH2 3.62Å; D1631-R1737 PolarHBondContact OD2-NH2 3.21Å; D1631-R1737 VanDerWaalsContact OD2-NH2 3.16Å; R1737-Y1739 VanDerWaalsContact C-N 3.34Å; R1737-Y1739 PolarHBondContact O-N 3.26Å; R1737-Y1740 PolarHBondContact O-N 2.92Å |
| 1738 | A | 63 | Low | 48.8 | Very low | 66 Ų | 66 | 127 Ų | 127 | 55% | 0.545 | 65% | 0.65 | S | S | . | * | G | 310 helix | trans | -59.8 | -34.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P1736 Y1740 L1741 E1742 | P1736-A1738 PolarHBondContact O-N 3.17Å; A1738-Y1740 PolarHBondContact O-N 3.4Å; A1738-Y1740 VanDerWaalsContact O-N 3.17Å; A1738-L1741 CarbonylContact O-C 3.6Å; A1738-L1741 PolarHBondContact O-N 3.12Å; A1738-E1742 PolarHBondContact O-N 3.35Å |
| 1739 | Y | 64.4 | Low | 48.4 | Very low | 93 Ų | 93 | 126.4 Ų | 126.4 | 37% | 0.365 | 65% | 0.654 | S | S | . | * | G | 310 helix | trans | -65 | -18.5 | 178.7 | 175.4 | -99.9 | 0 | 0 | 0 | 113.3 | R1735 P1736 R1737 | R1735-Y1739 HydrophobicContact CB-CD1 3.32Å; R1735-Y1739 HydrophobicContact CB-CE1 4.07Å; R1735-Y1739 HydrophobicContact CB-CG 3.73Å; R1735-Y1739 HydrophobicContact CG-CD1 3.41Å; R1735-Y1739 VanDerWaalsContact CG-CD1 3.41Å; R1735-Y1739 HydrophobicContact CG-CE1 3.63Å; R1735-Y1739 HydrophobicContact CG-CG 3.99Å; P1736-Y1739 WeakPolarHBondContact O-CB 3.18Å; P1736-Y1739 PolarHBondContact O-N 2.91Å; R1737-Y1739 VanDerWaalsContact C-N 3.34Å; R1737-Y1739 PolarHBondContact O-N 3.26Å |
| 1740 | Y | 54 | Low | 48.3 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 61% | 0.608 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -99.7 | 1.9 | 174.9 | -56.1 | -77.3 | 0 | 0 | 0 | 112.9 | R1735 R1737 A1738 | R1735-Y1740 HydrophobicContact CB-CE2 3.78Å; R1737-Y1740 PolarHBondContact O-N 2.92Å; A1738-Y1740 PolarHBondContact O-N 3.4Å; A1738-Y1740 VanDerWaalsContact O-N 3.17Å |
| 1741 | L | 51.4 | Low | 47.5 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 73% | 0.733 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | -20.3 | 176.8 | -63.1 | 172 | 0 | 0 | 0 | 111.9 | A1738 | A1738-L1741 CarbonylContact O-C 3.6Å; A1738-L1741 PolarHBondContact O-N 3.12Å |
| 1742 | E | 50.6 | Low | 46.8 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 64% | 0.64 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -67.2 | 130.3 | 166.4 | -164.4 | 164.7 | -132 | 0 | 0 | 109.4 | A1738 L1744 | A1738-E1742 PolarHBondContact O-N 3.35Å; E1742-L1744 PolarHBondContact O-N 3.14Å |
| 1743 | P | 44.5 | Very low | 46.8 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 76% | 0.76 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 130.1 | -179.8 | -25.5 | 34.7 | 0 | 0 | 0 | 111.6 | P1745 | P1743-P1745 WeakPolarHBondContact O-CD 3.45Š|
| 1744 | L | 44.8 | Very low | 46.2 | Very low | 148 Ų | 148 | 132 Ų | 132 | 78% | 0.775 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 126.4 | 176.4 | -72.9 | 171.8 | 0 | 0 | 0 | 109.9 | E1742 L1746 | E1742-L1744 PolarHBondContact O-N 3.14Å; L1744-L1746 PolarHBondContact O-N 3.39Å |
| 1745 | P | 51.7 | Low | 45.5 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 79% | 0.792 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 125.1 | 166.9 | -21.5 | 33 | 0 | 0 | 0 | 108.9 | P1743 | P1743-P1745 WeakPolarHBondContact O-CD 3.45Š|
| 1746 | L | 38 | Very low | 44.9 | Very low | 162 Ų | 162 | 132.4 Ų | 132.4 | 85% | 0.848 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 140.2 | 176.7 | -69.8 | 170.7 | 0 | 0 | 0 | 109.6 | L1744 | L1744-L1746 PolarHBondContact O-N 3.39Š|
| 1747 | P | 42.5 | Very low | 43.8 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 62% | 0.617 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 138.7 | 177.1 | -22.7 | 33.7 | 0 | 0 | 0 | 111.3 | E1749 | P1747-E1749 PolarHBondContact O-N 3.36Š|
| 1748 | P | 44.2 | Very low | 43.1 | Very low | 125 Ų | 125 | 131 Ų | 131 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -77.6 | 35.2 | 174.8 | 34.8 | -36.9 | 0 | 0 | 0 | 112.5 | ||
| 1749 | E | 37.7 | Very low | 41.8 | Very low | 174 Ų | 174 | 135 Ų | 135 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | trans | -134.3 | 42.5 | -179.9 | -70 | -168.4 | 126.7 | 0 | 0 | 111.4 | P1747 | P1747-E1749 PolarHBondContact O-N 3.36Š| ||
| 1750 | D | 40.1 | Very low | 40 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | trans | -133.6 | 41.7 | 157 | -93.7 | -42.6 | 0 | 0 | 0 | 109.2 | E1752 | D1750-E1752 PolarHBondContact O-N 3.28Š| ||
| 1751 | E | 32.8 | Very low | 39.1 | Very low | 171 Ų | 171 | 134.6 Ų | 134.6 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | trans | -86.8 | 73.5 | 172.9 | -167.6 | 173 | -140.5 | 0 | 0 | 109.9 | ||||
| 1752 | E | 36.5 | Very low | 37.9 | Very low | 183 Ų | 183 | 133.4 Ų | 133.4 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 130.6 | 173.9 | -164.7 | 169.4 | -153.5 | 0 | 0 | 109.7 | D1750 | D1750-E1752 PolarHBondContact O-N 3.28Š|
| 1753 | P | 40.4 | Very low | 37.2 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -73 | 136.4 | -150.3 | 24.4 | -35.2 | 0 | 0 | 0 | 114.7 | ||
| 1754 | P | 37.3 | Very low | 36.5 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 125.5 | -174.4 | 31.1 | -35.2 | 0 | 0 | 0 | 113.2 | ||
| 1755 | A | 31.9 | Very low | 35.9 | Very low | 94 Ų | 94 | 133.7 Ų | 133.7 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | trans | -158.3 | 140.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1756 | P | 37.6 | Very low | 34.9 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 84% | 0.844 | 75% | 0.749 | S | S | * | * | cis | -118.3 | 169.9 | -33.5 | 36.7 | -23 | 0 | 0 | 0 | 111.5 | ||||
| 1757 | A | 29.9 | Very low | 34.4 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | trans | -72 | 143.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1758 | L | 32 | Very low | 34.2 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | -176.5 | 136.4 | 119.1 | -95.8 | 162.2 | 0 | 0 | 0 | 112 | |||||
| 1759 | L | 36.2 | Very low | 34.2 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | trans | 63 | 107.4 | 153.6 | -60.6 | 167.4 | 0 | 0 | 0 | 119.6 | ||||
| 1760 | E | 27 | Very low | 34 | Very low | 139 Ų | 139 | 133 Ų | 133 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | 7.9 | 155 | 108.8 | -87.8 | -168.4 | -143.5 | 0 | 0 | 119.5 | K1764 | E1760-K1764 IonicContact OE2-NZ 3.34Å; E1760-K1764 PolarHBondContact OE2-NZ 3.29Å | |||
| 1761 | P | 35.1 | Very low | 33.8 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 66% | 0.656 | 74% | 0.739 | S | S | * | * | cis | -131.8 | 160.5 | 25.3 | 47.8 | -33.7 | 0 | 0 | 0 | 112.8 | ||||
| 1762 | E | 25.9 | Very low | 33.9 | Very low | 115 Ų | 115 | 128 Ų | 128 | 54% | 0.537 | 73% | 0.729 | S | S | . | * | 50.5 | 104.8 | 62.1 | -142.7 | -154.4 | 139.9 | 0 | 0 | 114.2 | K1764 | E1762-K1764 HydrophobicContact CB-CD 4.35Å; E1762-K1764 HydrophobicContact CB-CG 3.9Å; E1762-K1764 HydrophobicContact CG-CG 3.73Å; E1762-K1764 WeakPolarHBondContact OE1-CG 3.38Å; E1762-K1764 WeakPolarHBondContact OE2-CE 3.35Å; E1762-K1764 IonicContact OE2-NZ 2.63Å; E1762-K1764 PolarHBondContact OE2-NZ 2.77Å | |||
| 1763 | K | 34.5 | Very low | 33.9 | Very low | 215 Ų | 215 | 127.3 Ų | 127.3 | 94% | 0.935 | 72% | 0.724 | S | S | * | * | trans | -109 | 93.4 | 148.2 | -81.4 | -167.1 | 170.3 | -174.6 | 0 | 106.3 | ||||
| 1764 | K | 31.3 | Very low | 33.8 | Very low | 90 Ų | 90 | 128 Ų | 128 | 39% | 0.391 | 73% | 0.728 | S | S | . | * | 48 | 116.8 | 52.8 | -67.3 | -174.1 | 164.5 | 78.1 | 0 | 112.3 | E1760 E1762 | E1760-K1764 IonicContact OE2-NZ 3.34Å; E1760-K1764 PolarHBondContact OE2-NZ 3.29Å; E1762-K1764 HydrophobicContact CB-CD 4.35Å; E1762-K1764 HydrophobicContact CB-CG 3.9Å; E1762-K1764 HydrophobicContact CG-CG 3.73Å; E1762-K1764 WeakPolarHBondContact OE1-CG 3.38Å; E1762-K1764 WeakPolarHBondContact OE2-CE 3.35Å; E1762-K1764 IonicContact OE2-NZ 2.63Å; E1762-K1764 PolarHBondContact OE2-NZ 2.77Å | |||
| 1765 | A | 31.8 | Very low | 33.4 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | trans | -149.8 | 64.4 | 132.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1766 | P | 29.8 | Very low | 33.6 | Very low | 95 Ų | 95 | 128.1 Ų | 128.1 | 62% | 0.617 | 73% | 0.729 | S | S | * | * | trans | -71.1 | 127.2 | 152.5 | 32.8 | -28.7 | 0 | 0 | 0 | 108.2 | ||||
| 1767 | E | 27.6 | Very low | 33.3 | Very low | 179 Ų | 179 | 126.3 Ų | 126.3 | 84% | 0.836 | 73% | 0.726 | S | S | * | * | trans | 172.8 | 111.6 | 135.7 | -98.1 | 179.3 | 166 | 0 | 0 | 109.9 | ||||
| 1768 | P | 38.9 | Very low | 34.1 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -74.8 | 153 | 171.5 | 31.6 | -32.9 | 0 | 0 | 0 | 111 | ||||
| 1769 | P | 43.6 | Very low | 34.5 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | trans | -127.8 | -163.2 | -130.1 | 42.4 | -30 | 0 | 0 | 0 | 113.1 | ||||
| 1770 | K | 34.6 | Very low | 34.2 | Very low | 154 Ų | 154 | 123 Ų | 123 | 67% | 0.67 | 72% | 0.716 | S | S | * | * | -165 | 124.3 | 121.2 | -100.9 | 155.9 | -161.5 | -177.2 | 0 | 113.1 | Y1814 | K1770-Y1814 PolarHBondContact NZ-OH 3.22Š| |||
| 1771 | T | 36 | Very low | 34.5 | Very low | 117 Ų | 117 | 122.4 Ų | 122.4 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | trans | 37.1 | 135.2 | 144.5 | 47.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1772 | D | 33.8 | Very low | 34.3 | Very low | 112 Ų | 112 | 124.4 Ų | 124.4 | 60% | 0.599 | 72% | 0.723 | S | S | * | * | cis | -156 | 160.3 | 17.8 | -131.5 | -28.8 | 0 | 0 | 0 | 113.6 | ||||
| 1773 | K | 36.5 | Very low | 34.5 | Very low | 169 Ų | 169 | 123.3 Ų | 123.3 | 74% | 0.735 | 72% | 0.718 | S | S | * | * | trans | 6.6 | 163.8 | 156.7 | -66.7 | 153.8 | -161.8 | 137.2 | 0 | 122.5 | ||||
| 1774 | P | 37.9 | Very low | 34.5 | Very low | 127 Ų | 127 | 121.6 Ų | 121.6 | 83% | 0.825 | 71% | 0.705 | S | S | * | * | cis | -142.2 | -178.8 | -37 | 40.9 | -24 | 0 | 0 | 0 | 114 | ||||
| 1775 | G | 30.5 | Very low | 34.4 | Very low | 62 Ų | 62 | 124 Ų | 124 | 64% | 0.639 | 72% | 0.716 | S | S | * | * | trans | 134 | 107.4 | 140.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1776 | T | 34.4 | Very low | 34.4 | Very low | 155 Ų | 155 | 127.6 Ų | 127.6 | 95% | 0.951 | 71% | 0.712 | S | S | * | * | trans | 67.2 | 159.7 | 143.3 | 22.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1777 | A | 31.7 | Very low | 34.5 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | trans | -140.3 | -147.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1778 | P | 47.8 | Very low | 34.8 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 74% | 0.74 | 72% | 0.718 | S | S | * | * | trans | -119 | -178.1 | -131.4 | 41.2 | -23.2 | 0 | 0 | 0 | 116.2 | ||||
| 1779 | P | 40.4 | Very low | 34.5 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 75% | 0.747 | 72% | 0.715 | S | S | * | * | -131.8 | 154.2 | 126.1 | 22.1 | -3.5 | 0 | 0 | 0 | 111.6 | |||||
| 1780 | S | 29.8 | Very low | 33.8 | Very low | 92 Ų | 92 | 132.7 Ų | 132.7 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | cis | 101.5 | 144.5 | 18.8 | 85.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1781 | T | 31.9 | Very low | 33.6 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | trans | 70.4 | 153.5 | 154.5 | 40.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1782 | E | 31 | Very low | 33.3 | Very low | 144 Ų | 144 | 130.5 Ų | 130.5 | 67% | 0.673 | 72% | 0.721 | S | S | * | * | cis | -156.6 | 156.2 | 6.7 | -136.5 | -160.7 | 152.9 | 0 | 0 | 115.3 | ||||
| 1783 | E | 31.1 | Very low | 33.1 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 43% | 0.43 | 74% | 0.735 | S | S | . | * | trans | 62.4 | 168.4 | 143.1 | -89.1 | -169.7 | 133.5 | 0 | 0 | 122.4 | K1785 | E1783-K1785 WeakPolarHBondContact OE1-CE 3.38Å; E1783-K1785 IonicContact OE1-NZ 3.05Å; E1783-K1785 PolarHBondContact OE1-NZ 3.27Å | ||
| 1784 | R | 33.2 | Very low | 32.8 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 67% | 0.672 | 73% | 0.729 | S | S | * | * | cis | -156.6 | 124.3 | 13.6 | -146 | 161.9 | -147.7 | 172.6 | 29.3 | 118 | ||||
| 1785 | K | 31 | Very low | 32.6 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 61% | 0.613 | 73% | 0.727 | S | S | * | * | trans | 56.7 | 171.4 | 138.1 | -61.6 | 174.9 | -172.6 | 150.2 | 0 | 119.6 | E1783 | E1783-K1785 WeakPolarHBondContact OE1-CE 3.38Å; E1783-K1785 IonicContact OE1-NZ 3.05Å; E1783-K1785 PolarHBondContact OE1-NZ 3.27Å | ||
| 1786 | K | 31 | Very low | 32.5 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 78% | 0.778 | 73% | 0.727 | S | S | * | * | cis | -158.1 | 150.5 | 10.3 | -144.3 | 164.6 | -173.2 | 177.2 | 0 | 114.3 | ||||
| 1787 | K | 31 | Very low | 32.8 | Very low | 198 Ų | 198 | 134.8 Ų | 134.8 | 86% | 0.861 | 71% | 0.713 | S | S | * | * | trans | 89.7 | 139.3 | 160.3 | -65.7 | -174.7 | 175 | -179.9 | 0 | 117.1 | ||||
| 1788 | S | 33.7 | Very low | 32.7 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | cis | -145.9 | 144.3 | 2.9 | -176.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1789 | T | 32.8 | Very low | 31.8 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | trans | -3.8 | 126.3 | 155 | -10.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1790 | K | 29.6 | Very low | 31.2 | Very low | 192 Ų | 192 | 138.4 Ų | 138.4 | 84% | 0.835 | 71% | 0.714 | S | S | * | * | cis | 79.7 | 114.8 | 26.1 | -157.9 | 176.7 | -169.9 | 166.5 | 0 | 115.2 | ||||
| 1791 | G | 29.8 | Very low | 31.2 | Very low | 69 Ų | 69 | 139.5 Ų | 139.5 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | trans | -90.5 | 165.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1792 | K | 30.2 | Very low | 31.1 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 68% | 0.683 | 73% | 0.727 | S | S | * | * | trans | -173.3 | 138.5 | 168.9 | -130.1 | -174.3 | -176.8 | -168 | 0 | 116 | ||||
| 1793 | K | 30.9 | Very low | 30.9 | Very low | 203 Ų | 203 | 141.7 Ų | 141.7 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | trans | 162.8 | 120 | 134.5 | -94.5 | -179.8 | 176.7 | -172.6 | 0 | 107.4 | ||||
| 1794 | R | 28.7 | Very low | 30.9 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 62% | 0.615 | 75% | 0.747 | S | S | * | * | cis | 70.8 | 108.7 | 5.9 | -175 | 176.3 | 167.5 | -175.4 | -5.7 | 118.8 | ||||
| 1795 | S | 34.1 | Very low | 30.8 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | trans | -172.1 | 124.8 | 149.5 | 40.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1796 | Q | 28.4 | Very low | 30.9 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 63% | 0.626 | 77% | 0.765 | S | S | * | * | cis | 64 | 152.9 | 11.6 | -113.1 | -157 | 0.4 | 0 | 0 | 115.3 | ||||
| 1797 | P | 40 | Very low | 30.8 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 66% | 0.662 | 76% | 0.756 | S | S | * | * | cis | -142.2 | 178.5 | -0 | 43.9 | -26.3 | 0 | 0 | 0 | 117.3 | ||||
| 1798 | A | 29.5 | Very low | 31.3 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | 35.9 | 164 | 137.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1799 | T | 29.4 | Very low | 31.3 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | cis | -168.6 | 153.5 | 38 | 25.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1800 | K | 28.2 | Very low | 31.3 | Very low | 194 Ų | 194 | 139.9 Ų | 139.9 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | 68.8 | 153.3 | 156 | -65.5 | 170.9 | 176.9 | -168.5 | 0 | 117.1 | ||||
| 1801 | S | 30 | Very low | 31.5 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | cis | -141.1 | 177.1 | 18.2 | -60.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1802 | E | 28.8 | Very low | 31.6 | Very low | 190 Ų | 190 | 136.4 Ų | 136.4 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | trans | -100.2 | 164.5 | 167.4 | -60.5 | 152 | 107.8 | 0 | 0 | 110.9 | ||||
| 1803 | D | 28.4 | Very low | 32.1 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 68% | 0.684 | 77% | 0.771 | S | S | * | * | -176.7 | 162.1 | 117 | -135.1 | -30.9 | 0 | 0 | 0 | 115.2 | |||||
| 1804 | Y | 30.3 | Very low | 32.1 | Very low | 213 Ų | 213 | 134.5 Ų | 134.5 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | 49.8 | 134.7 | 167.6 | -63 | -67.5 | 0 | 0 | 0 | 121 | ||||
| 1805 | G | 31 | Very low | 32.1 | Very low | 73 Ų | 73 | 130.2 Ų | 130.2 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | cis | -146.7 | -137 | -2.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1806 | M | 32.6 | Very low | 31.9 | Very low | 184 Ų | 184 | 131.2 Ų | 131.2 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | cis | -170.2 | 160.4 | -24.3 | -168.3 | 55.9 | 162.8 | 0 | 0 | 105.1 | ||||
| 1807 | G | 30.3 | Very low | 31.9 | Very low | 59 Ų | 59 | 130.4 Ų | 130.4 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | cis | 127.4 | 145.2 | 1.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1808 | P | 40.6 | Very low | 31.5 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | cis | -136.9 | 171.9 | -22 | 41.3 | -24.8 | 0 | 0 | 0 | 115.1 | ||||
| 1809 | G | 32.9 | Very low | 32.1 | Very low | 79 Ų | 79 | 133.7 Ų | 133.7 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | -171.2 | 119.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1810 | R | 34.5 | Very low | 32.6 | Very low | 237 Ų | 237 | 132.7 Ų | 132.7 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | trans | -49 | 145.6 | 174.8 | -73.7 | 177.1 | 171.1 | -179.6 | -3 | 115.7 | ||||
| 1811 | S | 33 | Very low | 32.6 | Very low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | 59.4 | 130.6 | 59.1 | 81.8 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1812 | G | 31.7 | Very low | 32.8 | Very low | 74 Ų | 74 | 130.9 Ų | 130.9 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | cis | -173.1 | -169.4 | 5.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1813 | P | 41.8 | Very low | 33 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | trans | -117.2 | 163.8 | -162.5 | 41 | -33.5 | 0 | 0 | 0 | 117.3 | ||||
| 1814 | Y | 30.2 | Very low | 33.2 | Very low | 204 Ų | 204 | 129.2 Ų | 129.2 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | 172.1 | 129.8 | 138.4 | -95.3 | -61.3 | 0 | 0 | 0 | 115 | K1770 | K1770-Y1814 PolarHBondContact NZ-OH 3.22Š| ||
| 1815 | G | 28.6 | Very low | 33.2 | Very low | 72 Ų | 72 | 126.7 Ų | 126.7 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | trans | 101.7 | 141.6 | 135.7 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1816 | V | 30.4 | Very low | 33.2 | Very low | 134 Ų | 134 | 127 Ų | 127 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | trans | 75 | 80.5 | 144.7 | -161.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1817 | T | 27.7 | Very low | 33 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | 23.5 | 143.5 | 123.2 | 61.6 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 1818 | V | 31.8 | Very low | 33.4 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | trans | 84 | 151.2 | 151.2 | -73.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1819 | P | 41.1 | Very low | 32.9 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | trans | -127.8 | -146.7 | -146.7 | 46.9 | -28.8 | 0 | 0 | 0 | 113 | ||||
| 1820 | P | 40.3 | Very low | 32.7 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 62% | 0.623 | 76% | 0.762 | S | S | * | * | cis | -138.7 | -175.4 | -9.9 | 42.2 | -22.5 | 0 | 0 | 0 | 117.8 | ||||
| 1821 | D | 29.6 | Very low | 32.7 | Very low | 137 Ų | 137 | 125 Ų | 125 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | 68.8 | 156.4 | 148.6 | -66.9 | -12.2 | 0 | 0 | 0 | 121 | ||||
| 1822 | L | 33 | Very low | 32.4 | Very low | 135 Ų | 135 | 124.1 Ų | 124.1 | 71% | 0.707 | 76% | 0.756 | S | S | * | * | cis | -164.7 | 169 | -15.5 | -111.2 | 170.6 | 0 | 0 | 0 | 112.1 | ||||
| 1823 | L | 33 | Very low | 32.5 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | trans | 69.2 | 143.3 | 170.7 | -42.4 | -173.1 | 0 | 0 | 0 | 116.3 | ||||
| 1824 | H | 33.1 | Very low | 32.1 | Very low | 150 Ų | 150 | 130 Ų | 130 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | cis | -166.7 | -174.9 | -6 | -111.9 | -2.8 | 0 | 0 | 0 | 108.3 | ||||
| 1825 | H | 30.8 | Very low | 32.1 | Very low | 159 Ų | 159 | 124.9 Ų | 124.9 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | cis | -160.7 | -177.1 | 9.7 | -141.7 | 32.4 | 0 | 0 | 0 | 113.4 | ||||
| 1826 | A | 30.9 | Very low | 32.3 | Very low | 80 Ų | 80 | 132.4 Ų | 132.4 | 66% | 0.661 | 76% | 0.759 | S | S | * | * | trans | 41.3 | 101 | 151 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1827 | N | 27.4 | Very low | 32.1 | Very low | 156 Ų | 156 | 135 Ų | 135 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | 39.3 | 154.5 | 110.6 | -135.2 | 45 | 0 | 0 | 0 | 122.8 | |||||
| 1828 | P | 39.1 | Very low | 32.1 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | cis | -126.8 | 164.2 | -36.5 | 36 | -20.8 | 0 | 0 | 0 | 114 | ||||
| 1829 | G | 29.5 | Very low | 31.9 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 89% | 0.887 | 74% | 0.736 | S | S | * | * | trans | 173.9 | 170.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1830 | S | 29.3 | Very low | 31.4 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -112.4 | 142.3 | -175.9 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1831 | I | 33.5 | Very low | 30.5 | Very low | 176 Ų | 176 | 137.1 Ų | 137.1 | 90% | 0.903 | 75% | 0.751 | S | S | * | * | trans | -167.2 | 172.7 | 143 | -104.6 | 157.8 | 0 | 0 | 0 | 109.3 | ||||
| 1832 | S | 28.7 | Very low | 30.3 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | trans | -132.3 | 179.7 | -152.3 | -50.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1833 | H | 33.8 | Very low | 29.8 | Very low | 167 Ų | 167 | 135 Ų | 135 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | 68.6 | 142.4 | 172.8 | -77.9 | -120.2 | 0 | 0 | 0 | 116.2 | ||||
| 1834 | L | 32.5 | Very low | 29.6 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | S | Bend | cis | -143.8 | 160.5 | -13.5 | -85.5 | 128.1 | 0 | 0 | 0 | 107 | ||
| 1835 | S | 30.7 | Very low | 29.2 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | cis | -174.6 | 141.9 | -30 | -93.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1836 | Y | 31.4 | Very low | 29.2 | Very low | 231 Ų | 231 | 138.4 Ų | 138.4 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | cis | -144.2 | 171.8 | -36.7 | -162.2 | -100.6 | 0 | 0 | 0 | 108.4 | ||||
| 1837 | R | 27.7 | Very low | 29 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 71% | 0.709 | 77% | 0.772 | S | S | * | * | trans | -126.4 | 162.1 | -146.5 | -144.7 | -162.3 | 172.5 | -163.8 | 11.9 | 115.1 | ||||
| 1838 | Q | 27.9 | Very low | 28.9 | Very low | 133 Ų | 133 | 141.7 Ų | 141.7 | 62% | 0.621 | 77% | 0.769 | S | S | * | * | trans | 70.5 | 111.4 | 145.4 | -89.8 | -173.5 | -71 | 0 | 0 | 123.4 | ||||
| 1839 | S | 26.1 | Very low | 28.5 | Very low | 82 Ų | 82 | 141.3 Ų | 141.3 | 57% | 0.573 | 77% | 0.767 | S | S | * | * | 41.5 | 119 | 109.8 | 75.5 | 0 | 0 | 0 | 0 | 123 | |||||
| 1840 | S | 30.1 | Very low | 28.3 | Very low | 107 Ų | 107 | 144.1 Ų | 144.1 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | 59.3 | 108.2 | 127.1 | 67.7 | 0 | 0 | 0 | 0 | 122 | |||||
| 1841 | M | 23.2 | Very low | 28.8 | Very low | 192 Ų | 192 | 144.1 Ų | 144.1 | 95% | 0.946 | 76% | 0.758 | S | S | * | * | trans | -169.3 | 137.5 | 134.5 | -111.4 | -76.9 | -95.6 | 0 | 0 | 112.4 | ||||
| 1842 | G | 24.2 | Very low | 28.3 | Very low | 60 Ų | 60 | 140.8 Ų | 140.8 | 62% | 0.619 | 76% | 0.756 | S | S | * | * | trans | 67.5 | 137.2 | 146.4 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1843 | L | 23.5 | Very low | 28.1 | Very low | 167 Ų | 167 | 140 Ų | 140 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | 77.2 | 167 | 152.3 | -60.6 | 164.2 | 0 | 0 | 0 | 119.3 | ||||
| 1844 | Y | 28.7 | Very low | 27.6 | Very low | 206 Ų | 206 | 135 Ų | 135 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | trans | 68.9 | 78.9 | 178.9 | -68.7 | -77.9 | 0 | 0 | 0 | 119.3 | ||||
| 1845 | T | 24.8 | Very low | 27.5 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 69% | 0.693 | 76% | 0.763 | S | S | * | * | 16.7 | 121 | 121.8 | 59.1 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 1846 | Q | 30.1 | Very low | 27.2 | Very low | 195 Ų | 195 | 139.5 Ų | 139.5 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | trans | -123.8 | 124.1 | 148.4 | -164.1 | 170.4 | 29.5 | 0 | 0 | 109.9 | ||||
| 1847 | N | 27.3 | Very low | 26.9 | Very low | 143 Ų | 143 | 134.6 Ų | 134.6 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | trans | -88.6 | 161.7 | -177.4 | -76.2 | -70 | 0 | 0 | 0 | 112.5 | ||||
| 1848 | Q | 25.7 | Very low | 26.8 | Very low | 162 Ų | 162 | 131 Ų | 131 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | trans | -37.3 | 173.1 | 139.2 | -80.5 | -172.1 | 5.1 | 0 | 0 | 114.6 | ||||
| 1849 | P | 30.4 | Very low | 27 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | cis | -134 | 160.5 | 12.7 | 14.2 | 13 | 0 | 0 | 0 | 117.8 | ||||
| 1850 | L | 24.1 | Very low | 27 | Very low | 144 Ų | 144 | 137 Ų | 137 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | 23.5 | 160.6 | 114.4 | -67.2 | 170.5 | 0 | 0 | 0 | 121.6 | |||||
| 1851 | P | 40.4 | Very low | 26.9 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | trans | -110 | -171.3 | -148.2 | 43.7 | -38.8 | 0 | 0 | 0 | 116.5 | ||||
| 1852 | A | 23.4 | Very low | 27.4 | Very low | 106 Ų | 106 | 140 Ų | 140 | 88% | 0.876 | 78% | 0.775 | S | S | * | * | trans | 85 | 158.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1853 | G | 24 | Very low | 27.4 | Very low | 78 Ų | 78 | 142.8 Ų | 142.8 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 103.3 | 138.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1854 | G | 23.2 | Very low | 27.6 | Very low | 64 Ų | 64 | 146.7 Ų | 146.7 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | trans | -75.9 | 164.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1856 | G1854-R1856 PolarHBondContact O-N 3.04Š| ||
| 1855 | P | 30.8 | Very low | 27.5 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | trans | -67.7 | 96.4 | 177.1 | 28.9 | -34 | 0 | 0 | 0 | 110.1 | V1857 | P1855-V1857 PolarHBondContact O-N 3.18Š| ||
| 1856 | R | 23.8 | Very low | 27.8 | Very low | 203 Ų | 203 | 143.5 Ų | 143.5 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | trans | -61 | 131.2 | 163.2 | -86 | -162.8 | 176.9 | -171.3 | -1.1 | 109.1 | G1854 D1858 | G1854-R1856 PolarHBondContact O-N 3.04Å; R1856-D1858 WeakPolarHBondContact CD-OD2 3.27Å; R1856-D1858 IonicContact CZ-OD2 2.67Å; R1856-D1858 IonicContact NE-OD2 2.87Å; R1856-D1858 IonicContact NH1-OD2 3.51Å; R1856-D1858 PolarHBondContact NH1-OD2 3.08Å; R1856-D1858 PolarHBondContact O-N 3.44Å | ||
| 1857 | V | 26.3 | Very low | 27.6 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -83.4 | 93.8 | 158.1 | -178 | 0 | 0 | 0 | 0 | 106.6 | P1855 | P1855-V1857 PolarHBondContact O-N 3.18Š| ||
| 1858 | D | 26 | Very low | 28 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 60% | 0.604 | 77% | 0.765 | S | S | * | * | trans | -107.5 | 106.3 | 166.6 | -89.6 | -45 | 0 | 0 | 0 | 107.7 | R1856 | R1856-D1858 WeakPolarHBondContact CD-OD2 3.27Å; R1856-D1858 IonicContact CZ-OD2 2.67Å; R1856-D1858 IonicContact NE-OD2 2.87Å; R1856-D1858 IonicContact NH1-OD2 3.51Å; R1856-D1858 PolarHBondContact NH1-OD2 3.08Å; R1856-D1858 PolarHBondContact O-N 3.44Å | ||
| 1859 | P | 30.4 | Very low | 28.5 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | trans | -79.6 | 152.5 | 176.2 | 32.7 | -33.9 | 0 | 0 | 0 | 111.7 | ||||
| 1860 | Y | 27.2 | Very low | 29.2 | Very low | 236 Ų | 236 | 143.4 Ų | 143.4 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | trans | -5.1 | 117.8 | 166.4 | -72.5 | -93.9 | 0 | 0 | 0 | 117.8 | ||||
| 1861 | R | 28.5 | Very low | 30.6 | Very low | 242 Ų | 242 | 141.1 Ų | 141.1 | 91% | 0.913 | 76% | 0.764 | S | S | * | * | trans | -113.1 | 127.3 | 148.5 | -133.6 | -176 | -167.4 | -123.6 | 2.4 | 108.8 | ||||
| 1862 | P | 32.1 | Very low | 31 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | -70.9 | 155.1 | -178.1 | 28.4 | -34.9 | 0 | 0 | 0 | 112.4 | ||||
| 1863 | V | 24.6 | Very low | 32.3 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | trans | -69 | 136.6 | -174.1 | 174.4 | 0 | 0 | 0 | 0 | 112.3 | L1865 | V1863-L1865 HydrophobicContact CG1-CD1 4.04Å; V1863-L1865 HydrophobicContact CG1-CG 3.71Å | ||
| 1864 | R | 28.6 | Very low | 32.8 | Very low | 249 Ų | 249 | 148 Ų | 148 | 94% | 0.94 | 76% | 0.756 | S | S | * | * | trans | -128.3 | 112.7 | 148.1 | -98.9 | -170.4 | 174.6 | -179.9 | -1 | 110.6 | ||||
| 1865 | L | 26.9 | Very low | 33.4 | Very low | 145 Ų | 145 | 151.4 Ų | 151.4 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | -81.2 | 179.8 | 163.4 | -66 | 158.3 | 0 | 0 | 0 | 108.7 | V1863 | V1863-L1865 HydrophobicContact CG1-CD1 4.04Å; V1863-L1865 HydrophobicContact CG1-CG 3.71Å | ||
| 1866 | P | 30.4 | Very low | 33.3 | Very low | 108 Ų | 108 | 155.3 Ų | 155.3 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | -134.8 | -153.5 | -69.4 | 41.9 | -25 | 0 | 0 | 0 | 110.6 | |||||
| 1867 | M | 26.8 | Very low | 34 | Very low | 118 Ų | 118 | 150.8 Ų | 150.8 | 58% | 0.581 | 76% | 0.76 | S | S | * | * | trans | 71.8 | 121.8 | 177 | -48.6 | -140.2 | 93.4 | 0 | 0 | 114.4 | K1869 | M1867-K1869 PolarHBondContact SD-NZ 3Å; M1867-K1869 VanDerWaalsContact SD-NZ 3.43Å | ||
| 1868 | Q | 34.2 | Very low | 34.6 | Very low | 162 Ų | 162 | 148.3 Ų | 148.3 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | cis | 69 | 129.9 | 46.5 | -60.5 | 179.7 | -12.1 | 0 | 0 | 114.8 | ||||
| 1869 | K | 37 | Very low | 34.7 | Very low | 158 Ų | 158 | 149 Ų | 149 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | trans | 142.5 | 131.4 | 137.8 | -76.5 | 155.3 | -172.4 | 169.6 | 0 | 110 | M1867 | M1867-K1869 PolarHBondContact SD-NZ 3Å; M1867-K1869 VanDerWaalsContact SD-NZ 3.43Å | ||
| 1870 | L | 45.2 | Very low | 34.5 | Very low | 167 Ų | 167 | 150.6 Ų | 150.6 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | -163.6 | 164.8 | 99.2 | -110.1 | 82.8 | 0 | 0 | 0 | 108.2 | |||||
| 1871 | P | 52.8 | Low | 34.6 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 62% | 0.623 | 74% | 0.74 | S | S | * | * | trans | -113.2 | -171.4 | -158.1 | 25.3 | -1.1 | 0 | 0 | 0 | 111.6 | ||||
| 1872 | T | 48.8 | Very low | 34.8 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 68% | 0.675 | 74% | 0.735 | S | S | * | * | -177 | 162.8 | 55.1 | 44.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1873 | R | 50.5 | Low | 34.5 | Very low | 209 Ų | 209 | 136.7 Ų | 136.7 | 79% | 0.789 | 74% | 0.736 | S | S | * | * | cis | -179.6 | 148.9 | -16.1 | -98.6 | 168.3 | 175.1 | 160.1 | -6.3 | 105 | ||||
| 1874 | P | 34.2 | Very low | 34.6 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | cis | -121.4 | 111.4 | -30.8 | 34.1 | -16.7 | 0 | 0 | 0 | 110.9 | ||||
| 1875 | T | 36.5 | Very low | 34.4 | Very low | 134 Ų | 134 | 128.1 Ų | 128.1 | 82% | 0.822 | 71% | 0.705 | S | S | * | * | trans | -148.2 | 149.5 | -159.8 | -11.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1876 | Y | 29.7 | Very low | 34.2 | Very low | 216 Ų | 216 | 126 Ų | 126 | 85% | 0.847 | 70% | 0.699 | S | S | * | * | trans | -98.3 | 178.1 | 163.6 | -95.2 | -105.1 | 0 | 0 | 0 | 109.3 | ||||
| 1877 | P | 37.8 | Very low | 34.2 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 71% | 0.708 | 70% | 0.697 | S | S | * | * | -131 | 109.5 | -58.5 | 35 | -16.3 | 0 | 0 | 0 | 112.8 | |||||
| 1878 | G | 38.6 | Very low | 34.4 | Very low | 75 Ų | 75 | 128.1 Ų | 128.1 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | trans | 69.7 | -165.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1879 | V | 27.6 | Very low | 34.6 | Very low | 129 Ų | 129 | 123.5 Ų | 123.5 | 78% | 0.782 | 70% | 0.702 | S | S | * | * | trans | 62.6 | 112 | -174.3 | -176.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1880 | L | 25.6 | Very low | 35.1 | Very low | 136 Ų | 136 | 122.9 Ų | 122.9 | 71% | 0.712 | 71% | 0.706 | S | S | * | * | trans | 64.8 | 167.5 | 173.8 | -57.9 | 168 | 0 | 0 | 0 | 113.7 | ||||
| 1881 | P | 29.3 | Very low | 34.9 | Very low | 45 Ų | 45 | 122.6 Ų | 122.6 | 29% | 0.292 | 70% | 0.7 | S | S | . | * | -134.9 | 130.4 | -58.7 | 37 | -24.3 | 0 | 0 | 0 | 114.2 | T1883 M1884 T1885 | P1881-T1883 CarbonylContact O-C 3.45Å; P1881-T1883 WeakPolarHBondContact O-CA 3.37Å; P1881-T1883 PolarHBondContact O-N 3.09Å; P1881-M1884 HydrophobicContact CB-SD 4.4Å; P1881-M1884 HydrophobicContact CG-CE 3.85Å; P1881-M1884 HydrophobicContact CG-SD 3.55Å; P1881-M1884 VanDerWaalsContact CG-SD 3.55Å; P1881-M1884 PolarHBondContact O-N 3.44Å; P1881-T1885 HydrophobicContact CB-CG2 4.48Å; P1881-T1885 VanDerWaalsContact CB-OG1 3.31Å; P1881-T1885 WeakPolarHBondContact CB-OG1 3.36Å | |||
| 1882 | T | 33.5 | Very low | 34.1 | Very low | 133 Ų | 133 | 122.2 Ų | 122.2 | 82% | 0.816 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 33.8 | -122.8 | 162.8 | -37.1 | 0 | 0 | 0 | 0 | 114 | T1885 | T1882-T1885 PolarHBondContact OG1-N 3.11Š|
| 1883 | T | 25.5 | Very low | 33.7 | Very low | 129 Ų | 129 | 119.8 Ų | 119.8 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | -102 | 105.6 | 106.2 | 62.2 | 0 | 0 | 0 | 0 | 106.2 | P1881 | P1881-T1883 CarbonylContact O-C 3.45Å; P1881-T1883 WeakPolarHBondContact O-CA 3.37Å; P1881-T1883 PolarHBondContact O-N 3.09Å | |
| 1884 | M | 27.9 | Very low | 32.9 | Very low | 114 Ų | 114 | 115 Ų | 115 | 56% | 0.562 | 68% | 0.684 | S | S | * | * | trans | 60.9 | 108.6 | -174.5 | -62.9 | -62.4 | 157.7 | 0 | 0 | 115.9 | P1881 | P1881-M1884 HydrophobicContact CB-SD 4.4Å; P1881-M1884 HydrophobicContact CG-CE 3.85Å; P1881-M1884 HydrophobicContact CG-SD 3.55Å; P1881-M1884 VanDerWaalsContact CG-SD 3.55Å; P1881-M1884 PolarHBondContact O-N 3.44Å | ||
| 1885 | T | 24.1 | Very low | 33.1 | Very low | 73 Ų | 73 | 117.4 Ų | 117.4 | 45% | 0.448 | 68% | 0.678 | S | S | . | * | S | Bend | -49.2 | 132.1 | 124.9 | 46.1 | 0 | 0 | 0 | 0 | 107.4 | P1881 T1882 | P1881-T1885 HydrophobicContact CB-CG2 4.48Å; P1881-T1885 VanDerWaalsContact CB-OG1 3.31Å; P1881-T1885 WeakPolarHBondContact CB-OG1 3.36Å; T1882-T1885 PolarHBondContact OG1-N 3.11Å | |
| 1886 | T | 22.8 | Very low | 32.9 | Very low | 101 Ų | 101 | 120.1 Ų | 120.1 | 62% | 0.62 | 68% | 0.678 | S | S | * | * | trans | 98.5 | 98 | -151.1 | -51.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1887 | V | 28.9 | Very low | 33 | Very low | 109 Ų | 109 | 115 Ų | 115 | 66% | 0.661 | 67% | 0.67 | S | S | * | * | cis | -149.8 | 130.7 | 2 | 94.7 | 0 | 0 | 0 | 0 | 107.1 | G1889 | V1887-G1889 PolarHBondContact O-N 3.1Š| ||
| 1888 | M | 31.1 | Very low | 32.6 | Very low | 160 Ų | 160 | 115 Ų | 115 | 79% | 0.788 | 67% | 0.672 | S | S | * | * | 45.6 | 37.9 | 66.4 | -62.4 | -162.4 | -55.9 | 0 | 0 | 112.6 | L1890 | M1888-L1890 PolarHBondContact O-N 2.85Š| |||
| 1889 | G | 39.4 | Very low | 32.3 | Very low | 65 Ų | 65 | 117 Ų | 117 | 67% | 0.67 | 67% | 0.669 | S | S | * | * | trans | -70.7 | 42.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1887 | V1887-G1889 PolarHBondContact O-N 3.1Š| ||
| 1890 | L | 46.7 | Very low | 32.4 | Very low | 146 Ų | 146 | 120.2 Ų | 120.2 | 76% | 0.764 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 68.7 | 152.5 | 171.1 | -53.2 | 170.7 | 0 | 0 | 0 | 113.9 | M1888 | M1888-L1890 PolarHBondContact O-N 2.85Š|
| 1891 | E | 41.9 | Very low | 32.8 | Very low | 160 Ų | 160 | 122.9 Ų | 122.9 | 75% | 0.748 | 67% | 0.669 | S | S | * | * | cis | -149.2 | 162.3 | -10.7 | -106.7 | -89.4 | 116.8 | 0 | 0 | 106.6 | ||||
| 1892 | P | 36.5 | Very low | 33.1 | Very low | 89 Ų | 89 | 127.1 Ų | 127.1 | 58% | 0.578 | 69% | 0.685 | S | S | * | * | -139.8 | -132.7 | -110.2 | 44.3 | -24.4 | 0 | 0 | 0 | 111.8 | |||||
| 1893 | S | 40 | Very low | 33.1 | Very low | 58 Ų | 58 | 127.9 Ų | 127.9 | 41% | 0.406 | 68% | 0.679 | S | S | . | * | trans | 85.5 | 118 | 167.7 | -52.8 | 0 | 0 | 0 | 0 | 115 | Y1895 | S1893-Y1895 VanDerWaalsContact CB-CE1 3.42Å; S1893-Y1895 VanDerWaalsContact CB-OH 3.29Å; S1893-Y1895 WeakPolarHBondContact CB-OH 3.49Å; S1893-Y1895 WeakPolarHBondContact OG-CE1 3.34Å; S1893-Y1895 PolarHBondContact OG-OH 3.06Å | ||
| 1894 | S | 33.1 | Very low | 33.9 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | cis | 76 | 169.5 | 36.6 | -49.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1895 | Y | 37.6 | Very low | 34.1 | Very low | 177 Ų | 177 | 130.1 Ų | 130.1 | 69% | 0.694 | 69% | 0.689 | S | S | * | * | trans | 56.6 | 90.2 | 175.8 | 46.2 | -103 | 0 | 0 | 0 | 118 | S1893 | S1893-Y1895 VanDerWaalsContact CB-CE1 3.42Å; S1893-Y1895 VanDerWaalsContact CB-OH 3.29Å; S1893-Y1895 WeakPolarHBondContact CB-OH 3.49Å; S1893-Y1895 WeakPolarHBondContact OG-CE1 3.34Å; S1893-Y1895 PolarHBondContact OG-OH 3.06Å | ||
| 1896 | K | 33.5 | Very low | 34.4 | Very low | 191 Ų | 191 | 131.5 Ų | 131.5 | 83% | 0.83 | 70% | 0.698 | S | S | * | * | 81.7 | 154.6 | 103.8 | -84.3 | 176.6 | 177.4 | 178.9 | 0 | 119 | |||||
| 1897 | T | 31 | Very low | 34.8 | Very low | 109 Ų | 109 | 131 Ų | 131 | 67% | 0.669 | 69% | 0.694 | S | S | * | * | trans | 58.3 | 86.9 | 142.3 | -58.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1898 | S | 29 | Very low | 35.1 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | 70.1 | 167.1 | 71 | -56.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1899 | V | 32.4 | Very low | 35.4 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 71% | 0.709 | 70% | 0.698 | S | S | * | * | trans | 58.9 | 82.9 | 151.1 | 173.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1900 | Y | 31.2 | Very low | 35.2 | Very low | 197 Ų | 197 | 131.4 Ų | 131.4 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | 81.7 | 159.1 | 117.8 | -91.1 | -147.8 | 0 | 0 | 0 | 118.6 | |||||
| 1901 | R | 33.7 | Very low | 34.8 | Very low | 192 Ų | 192 | 132.4 Ų | 132.4 | 73% | 0.725 | 70% | 0.696 | S | S | * | * | trans | 72.1 | 137.3 | 150 | -84 | -179.8 | -177 | -160.2 | -1.3 | 113.3 | ||||
| 1902 | Q | 34.3 | Very low | 34.4 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 63% | 0.631 | 69% | 0.693 | S | S | * | * | 51.7 | 135.4 | 78.3 | -55.8 | 179.5 | -11.2 | 0 | 0 | 112.3 | |||||
| 1903 | Q | 35.4 | Very low | 34.1 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 70% | 0.696 | 71% | 0.708 | S | S | * | * | cis | -109.7 | 179.3 | -3.1 | -71.7 | 83.7 | 30.5 | 0 | 0 | 111.5 | ||||
| 1904 | Q | 40.5 | Very low | 33.7 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 82% | 0.822 | 71% | 0.714 | S | S | * | * | trans | -43.8 | 143.2 | 139 | -63.7 | 161.6 | -15.5 | 0 | 0 | 109 | ||||
| 1905 | P | 32.3 | Very low | 33.8 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | -112.8 | 117.3 | 97.2 | 32.2 | -34 | 0 | 0 | 0 | 109.1 | |||||
| 1906 | T | 30.4 | Very low | 33.3 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 63% | 0.632 | 71% | 0.71 | S | S | * | * | 69.8 | 118.1 | 113.9 | 61.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1907 | V | 32.2 | Very low | 32.9 | Very low | 90 Ų | 90 | 138.1 Ų | 138.1 | 55% | 0.545 | 70% | 0.7 | S | S | . | * | 56.1 | 110.9 | 77.4 | 172.2 | 0 | 0 | 0 | 0 | 109.4 | Q1909 | V1907-Q1909 HydrophobicContact CG1-CB 4.01Å; V1907-Q1909 HydrophobicContact CG1-CG 3.52Å; V1907-Q1909 VanDerWaalsContact CG1-OE1 3.26Å | |||
| 1908 | P | 34.6 | Very low | 32.6 | Very low | 115 Ų | 115 | 141.2 Ų | 141.2 | 75% | 0.747 | 71% | 0.707 | S | S | * | * | -78.5 | 141.2 | 58.7 | -25.2 | 36.5 | 0 | 0 | 0 | 115.1 | G1910 | P1908-G1910 PolarHBondContact O-N 3.45Š| |||
| 1909 | Q | 37.3 | Very low | 32.3 | Very low | 169 Ų | 169 | 140 Ų | 140 | 79% | 0.79 | 70% | 0.703 | S | S | * | * | 44.8 | 50.9 | 53.9 | -69.7 | 153.5 | -22.7 | 0 | 0 | 109 | V1907 | V1907-Q1909 HydrophobicContact CG1-CB 4.01Å; V1907-Q1909 HydrophobicContact CG1-CG 3.52Å; V1907-Q1909 VanDerWaalsContact CG1-OE1 3.26Å | |||
| 1910 | G | 35.6 | Very low | 32 | Very low | 59 Ų | 59 | 142.9 Ų | 142.9 | 61% | 0.608 | 71% | 0.706 | S | S | * | * | 86.9 | -163 | 67.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | P1908 | P1908-G1910 PolarHBondContact O-N 3.45Š| |||
| 1911 | Q | 37.8 | Very low | 31.9 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 78% | 0.78 | 70% | 0.702 | S | S | * | * | trans | 56.1 | 109 | -177.7 | -56.2 | -158.2 | 42.1 | 0 | 0 | 113.5 | ||||
| 1912 | R | 33.8 | Very low | 31.8 | Very low | 181 Ų | 181 | 139.2 Ų | 139.2 | 68% | 0.683 | 71% | 0.707 | S | S | * | * | cis | -153.2 | 145.4 | 24.5 | -74.7 | -155.6 | -179.9 | 175.9 | -0.1 | 107.3 | R1914 | R1912-R1914 VanDerWaalsContact CD-O 3.28Å; R1912-R1914 WeakPolarHBondContact CD-O 3.38Å | ||
| 1913 | L | 30.9 | Very low | 31.8 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 89% | 0.89 | 71% | 0.713 | S | S | * | * | S | Bend | cis | 35.9 | 84.9 | 29.4 | -160.9 | 79.7 | 0 | 0 | 0 | 114.5 | ||
| 1914 | R | 31.6 | Very low | 31.6 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 53% | 0.532 | 72% | 0.719 | S | S | . | * | S | Bend | trans | 83 | 115.3 | 162.6 | -168.6 | -179.7 | -178 | 157.6 | 8.1 | 117.4 | R1912 | R1912-R1914 VanDerWaalsContact CD-O 3.28Å; R1912-R1914 WeakPolarHBondContact CD-O 3.38Å |
| 1915 | Q | 35.7 | Very low | 31.4 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 55% | 0.551 | 71% | 0.712 | S | S | * | * | trans | 64.8 | 101 | 151.5 | -67.6 | 172.8 | -46.3 | 0 | 0 | 118.3 | ||||
| 1916 | Q | 25.9 | Very low | 31.8 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | -165.9 | 150.9 | 114.7 | -98 | -166.8 | -26.5 | 0 | 0 | 108.1 | |||||
| 1917 | L | 25.7 | Very low | 31.6 | Very low | 121 Ų | 121 | 140 Ų | 140 | 63% | 0.634 | 73% | 0.73 | S | S | * | * | cis | -107 | 175.3 | -28.9 | -71.2 | 107 | 0 | 0 | 0 | 106.7 | ||||
| 1918 | Q | 24.1 | Very low | 31.6 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | cis | 56.6 | 151.8 | 38.8 | 178.2 | 178.5 | 23.3 | 0 | 0 | 111.7 | ||||
| 1919 | A | 23.8 | Very low | 31.7 | Very low | 81 Ų | 81 | 142.6 Ų | 142.6 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | trans | 61.9 | 145.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1920 | K | 25.4 | Very low | 31 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 77% | 0.774 | 74% | 0.742 | S | S | * | * | cis | -143.4 | 136.1 | -21.6 | -108.5 | -170.9 | -179.6 | 179.3 | 0 | 106.1 | ||||
| 1921 | I | 28.7 | Very low | 30.5 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | 64.2 | 147.3 | 87.5 | -59.3 | -176.7 | 0 | 0 | 0 | 112.5 | |||||
| 1922 | Q | 32.2 | Very low | 29.9 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | trans | 93.1 | 116.7 | 179.1 | -54.8 | -178.5 | -20.4 | 0 | 0 | 113 | ||||
| 1923 | S | 34.9 | Very low | 29.5 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | S | Bend | cis | -91.8 | 151.8 | -12.5 | 51.7 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1924 | Q | 30.6 | Very low | 29.4 | Very low | 177 Ų | 177 | 139 Ų | 139 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | 63.2 | 125.5 | 51.7 | -75.3 | -179.5 | -42.6 | 0 | 0 | 113.7 | |||||
| 1925 | G | 35.6 | Very low | 29.1 | Very low | 64 Ų | 64 | 138.3 Ų | 138.3 | 66% | 0.66 | 75% | 0.751 | S | S | * | * | cis | 179.3 | -155.2 | -0.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1926 | M | 40.7 | Very low | 28.6 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | trans | 61.8 | 89.3 | 173.6 | -43.6 | -43.6 | -74.8 | 0 | 0 | 113 | ||||
| 1927 | L | 26.4 | Very low | 28.9 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 91% | 0.906 | 76% | 0.756 | S | S | * | * | cis | 53.5 | 105.9 | 44.5 | -94.8 | 174.4 | 0 | 0 | 0 | 112.3 | ||||
| 1928 | G | 33 | Very low | 29 | Very low | 71 Ų | 71 | 134.5 Ų | 134.5 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | trans | -155.1 | 133.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1929 | Q | 35.5 | Very low | 29.4 | Very low | 187 Ų | 187 | 131.5 Ų | 131.5 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | trans | -52.4 | 138.3 | -173.3 | -64.6 | 146.2 | -23.6 | 0 | 0 | 112 | ||||
| 1930 | S | 24.2 | Very low | 29.8 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | cis | 65.4 | 137.4 | 44.7 | -51.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1931 | S | 24.9 | Very low | 29.9 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | 84.1 | 108.3 | 161.2 | -50.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1932 | V | 24.7 | Very low | 29.9 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | 70.5 | 118.1 | 118.9 | 179.6 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1933 | H | 25.7 | Very low | 29.5 | Very low | 142 Ų | 142 | 133 Ų | 133 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | trans | 60.6 | 116.6 | 151.6 | -64.8 | -34 | 0 | 0 | 0 | 123.2 | M1935 | H1933-M1935 HydrophobicContact CB-CG 4.47Å; H1933-M1935 HydrophobicContact CB-SD 4.5Å | ||
| 1934 | Q | 29.1 | Very low | 29.1 | Very low | 192 Ų | 192 | 136.6 Ų | 136.6 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | -136.1 | 135 | 111.1 | -96 | 173.2 | 4.9 | 0 | 0 | 106.1 | |||||
| 1935 | M | 24.9 | Very low | 28.9 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | cis | 65.6 | 133.2 | 24.9 | -66.1 | -171.4 | 173.1 | 0 | 0 | 112.9 | H1933 | H1933-M1935 HydrophobicContact CB-CG 4.47Å; H1933-M1935 HydrophobicContact CB-SD 4.5Å | ||
| 1936 | T | 24.5 | Very low | 28.3 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | cis | -163 | -172.9 | 17.8 | 1.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1937 | P | 31.9 | Very low | 27.7 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | cis | -133.2 | -175.1 | -3.3 | 33.6 | -11.4 | 0 | 0 | 0 | 116 | ||||
| 1938 | S | 29.1 | Very low | 27.6 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | 57.7 | 131.1 | 148.3 | 52.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1939 | S | 32.7 | Very low | 27.2 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | cis | -157.3 | -167.8 | -3.4 | -76.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1940 | S | 30.9 | Very low | 26.7 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | cis | -155.2 | 178.8 | 16.3 | -53.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1941 | Y | 27.3 | Very low | 26.6 | Very low | 244 Ų | 244 | 135.3 Ų | 135.3 | 96% | 0.957 | 78% | 0.78 | S | S | * | * | trans | -98.5 | 159.4 | 166.9 | -84.3 | -106.7 | 0 | 0 | 0 | 112.3 | ||||
| 1942 | G | 28.2 | Very low | 26.8 | Very low | 79 Ų | 79 | 140 Ų | 140 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | trans | -177.6 | 112 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1943 | L | 24.2 | Very low | 26.9 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -160.4 | 115.4 | -173.8 | -160.8 | 162.5 | 0 | 0 | 0 | 110.3 | ||||
| 1944 | Q | 26.4 | Very low | 26.9 | Very low | 184 Ų | 184 | 137.7 Ų | 137.7 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -177.9 | 165.7 | 153.6 | -108.7 | 170 | 11 | 0 | 0 | 116.1 | ||||
| 1945 | S | 27 | Very low | 26.7 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | 60.7 | 93.3 | 157.6 | 59.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1946 | S | 23.7 | Very low | 26.7 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | 52.9 | 122.7 | 106.4 | -160.2 | 0 | 0 | 0 | 0 | 123 | |||||
| 1947 | Q | 26.6 | Very low | 26.7 | Very low | 193 Ų | 193 | 133.9 Ų | 133.9 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | 29.3 | 123.9 | 139.8 | -56.5 | -175.1 | -6 | 0 | 0 | 121.4 | ||||
| 1948 | G | 24.7 | Very low | 26.5 | Very low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 173.9 | 110.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1949 | Y | 25.4 | Very low | 26.3 | Very low | 219 Ų | 219 | 137.8 Ų | 137.8 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | 29.2 | 130.6 | 155.2 | -78.3 | -99.6 | 0 | 0 | 0 | 123.6 | ||||
| 1950 | T | 23.8 | Very low | 26.1 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 61.7 | 112.4 | 144.1 | 52.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1951 | S | 23 | Very low | 25.8 | Very low | 99 Ų | 99 | 143.1 Ų | 143.1 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | 76.6 | 160.1 | 126.9 | -149.6 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1952 | Y | 29.9 | Very low | 26 | Very low | 207 Ų | 207 | 138.2 Ų | 138.2 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | 63.4 | 142.4 | 178.9 | -65.5 | -90.3 | 0 | 0 | 0 | 117.1 | ||||
| 1953 | V | 25.6 | Very low | 26.1 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | cis | 129.7 | 156.8 | -3.5 | 158.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1954 | S | 26.8 | Very low | 26.6 | Very low | 99 Ų | 99 | 136 Ų | 136 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | 78.1 | 133.6 | 174.2 | -73.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1955 | H | 25.1 | Very low | 26.9 | Very low | 172 Ų | 172 | 132.2 Ų | 132.2 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | cis | 99.1 | 122.9 | 38.6 | -90.1 | -84.7 | 0 | 0 | 0 | 112.6 | ||||
| 1956 | V | 24.5 | Very low | 27.3 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | trans | 57.2 | 114.2 | 149.2 | -174.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1957 | G | 24.8 | Very low | 27.7 | Very low | 61 Ų | 61 | 131.3 Ų | 131.3 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | 110.8 | 158.9 | 123.3 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 1958 | L | 27.7 | Very low | 27.8 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | 61.3 | 136.5 | 170.3 | -62.9 | 111.6 | 0 | 0 | 0 | 116.7 | ||||
| 1959 | Q | 24.8 | Very low | 28.2 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 65% | 0.654 | 77% | 0.771 | S | S | * | * | cis | 73.6 | 99.1 | 22.8 | -165.3 | -167.3 | -3.1 | 0 | 0 | 115.6 | H1961 | Q1959-H1961 PolarHBondContact NE2-NE2 3.04Š| ||
| 1960 | Q | 27.6 | Very low | 28.7 | Very low | 172 Ų | 172 | 128.2 Ų | 128.2 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -179.1 | 156.1 | 144.6 | -99.5 | 168.5 | 58.3 | 0 | 0 | 109.5 | ||||
| 1961 | H | 25.9 | Very low | 29.3 | Very low | 163 Ų | 163 | 127.4 Ų | 127.4 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | cis | -171.4 | 167.1 | -40.3 | -123.4 | -72.7 | 0 | 0 | 0 | 109.4 | Q1959 | Q1959-H1961 PolarHBondContact NE2-NE2 3.04Š| ||
| 1962 | T | 30.8 | Very low | 29.5 | Very low | 141 Ų | 141 | 127.5 Ų | 127.5 | 87% | 0.865 | 76% | 0.763 | S | S | * | * | trans | 63.3 | 139.5 | 176.1 | 71.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1963 | G | 30.1 | Very low | 29.4 | Very low | 72 Ų | 72 | 128.2 Ų | 128.2 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | cis | 160.9 | 178.9 | -7.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1964 | P | 34 | Very low | 29.3 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | cis | -128.5 | -179.9 | -22.4 | 41 | -25.7 | 0 | 0 | 0 | 113.6 | ||||
| 1965 | A | 33.6 | Very low | 29.2 | Very low | 104 Ų | 104 | 127.5 Ų | 127.5 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | 58.7 | 113.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1966 | G | 34.3 | Very low | 29.3 | Very low | 72 Ų | 72 | 127.3 Ų | 127.3 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | cis | -169.2 | -137.9 | 1.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1967 | T | 33.2 | Very low | 29.7 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | cis | -168.6 | 123.1 | -3.5 | -76.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 1968 | M | 29 | Very low | 29.7 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 83% | 0.833 | 77% | 0.766 | S | S | * | * | cis | -143.7 | 126.7 | -16.6 | -83.1 | 178.9 | -64.6 | 0 | 0 | 107.8 | ||||
| 1969 | V | 33.5 | Very low | 29.5 | Very low | 138 Ų | 138 | 134 Ų | 134 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | -171 | 176.5 | -173.6 | -104.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1970 | P | 35.4 | Very low | 29.4 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | cis | -119 | -92.4 | -0.3 | 18 | 7.3 | 0 | 0 | 0 | 118.6 | ||||
| 1971 | P | 36.3 | Very low | 29.5 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | trans | -140 | 165.6 | -132.8 | 44.6 | -25 | 0 | 0 | 0 | 120.4 | ||||
| 1972 | S | 27.3 | Very low | 29.5 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | 19.8 | 127.6 | 142.2 | -48.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1973 | Y | 26.3 | Very low | 29.5 | Very low | 221 Ų | 221 | 129 Ų | 129 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | -176.4 | 160 | 99 | -113.4 | -88.7 | 0 | 0 | 0 | 114.8 | |||||
| 1974 | S | 25.3 | Very low | 29.2 | Very low | 95 Ų | 95 | 130.3 Ų | 130.3 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | trans | 53.1 | 90.8 | 157.2 | 58.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1975 | S | 24 | Very low | 29.4 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | 49 | 149 | 113.1 | 67.9 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 1976 | Q | 26.5 | Very low | 29 | Very low | 168 Ų | 168 | 133.6 Ų | 133.6 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 94.8 | 166.3 | 160.4 | -57.8 | -94.5 | 13.9 | 0 | 0 | 116.2 | ||||
| 1977 | P | 32.6 | Very low | 28.9 | Very low | 94 Ų | 94 | 135 Ų | 135 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | -145.2 | 175.7 | -73.5 | 43.5 | -25.5 | 0 | 0 | 0 | 118.7 | |||||
| 1978 | Y | 24.7 | Very low | 28.6 | Very low | 215 Ų | 215 | 134.1 Ų | 134.1 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | 74.5 | 141.4 | 142.4 | -95.1 | -57.7 | 0 | 0 | 0 | 125.7 | ||||
| 1979 | Q | 24 | Very low | 28.5 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | 85.8 | 96.7 | 145.2 | -78.4 | -166.3 | 0 | 0 | 0 | 123.5 | ||||
| 1980 | S | 23.3 | Very low | 28.2 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | 115.8 | 157.5 | 106.9 | -147.5 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1981 | T | 28.9 | Very low | 28 | Very low | 117 Ų | 117 | 133 Ų | 133 | 72% | 0.718 | 74% | 0.743 | S | S | * | * | trans | 61.1 | 101.4 | 168.8 | 41 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1982 | H | 26.4 | Very low | 27.9 | Very low | 180 Ų | 180 | 132.2 Ų | 132.2 | 83% | 0.833 | 74% | 0.738 | S | S | * | * | 17.3 | 149.4 | 120.4 | -57 | -64.4 | 0 | 0 | 0 | 120.1 | |||||
| 1983 | P | 31 | Very low | 28 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | cis | -143.6 | 177 | 34.4 | 43.3 | -24.6 | 0 | 0 | 0 | 118.4 | ||||
| 1984 | S | 24.7 | Very low | 28.2 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | trans | 28.9 | 104.8 | 148.8 | 61.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1985 | T | 36.8 | Very low | 28.3 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | -149.3 | 107.2 | 105.1 | 27.1 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1986 | N | 26.3 | Very low | 28.3 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -63.1 | 164.3 | 142.6 | -100.5 | -15.9 | 0 | 0 | 0 | 108.6 | ||||
| 1987 | P | 31.6 | Very low | 28.2 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | cis | -134.9 | -177.5 | 22 | 40.5 | -22.2 | 0 | 0 | 0 | 115.3 | ||||
| 1988 | T | 26.9 | Very low | 27.9 | Very low | 104 Ų | 104 | 141 Ų | 141 | 64% | 0.638 | 75% | 0.745 | S | S | * | * | trans | 39 | 140.2 | 142.8 | 56.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1989 | L | 26.7 | Very low | 27.9 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | 46.6 | 144.3 | 71.8 | -67.9 | 102.3 | 0 | 0 | 0 | 112.5 | |||||
| 1990 | V | 27.3 | Very low | 28.1 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 67% | 0.667 | 74% | 0.739 | S | S | * | * | cis | -137.2 | 158.9 | 39.4 | -155.3 | 0 | 0 | 0 | 0 | 106.3 | P1992 | V1990-P1992 HydrophobicContact CG1-CB 4.08Å; V1990-P1992 HydrophobicContact CG1-CG 4.32Å | ||
| 1991 | D | 31.3 | Very low | 28.2 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | 45.1 | 167.9 | 59.4 | -116.2 | -8.1 | 0 | 0 | 0 | 111.7 | |||||
| 1992 | P | 33.5 | Very low | 28.1 | Very low | 88 Ų | 88 | 136.6 Ų | 136.6 | 57% | 0.571 | 74% | 0.742 | S | S | * | * | cis | -149 | -166 | 29.4 | 37.8 | -13.2 | 0 | 0 | 0 | 116.3 | V1990 | V1990-P1992 HydrophobicContact CG1-CB 4.08Å; V1990-P1992 HydrophobicContact CG1-CG 4.32Å | ||
| 1993 | T | 29.2 | Very low | 28.1 | Very low | 102 Ų | 102 | 139 Ų | 139 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 70.6 | 128.5 | 158.4 | 62.7 | 0 | 0 | 0 | 0 | 118.6 | H1995 | T1993-H1995 WeakPolarHBondContact CA-O 3.37Š|
| 1994 | R | 31.8 | Very low | 27.8 | Very low | 251 Ų | 251 | 139.2 Ų | 139.2 | 95% | 0.947 | 75% | 0.745 | S | S | * | * | S | Bend | cis | -81.9 | 136.5 | -13.3 | -66 | 175.7 | -179.7 | 163.8 | 0.7 | 107.5 | ||
| 1995 | H | 26.4 | Very low | 27.9 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | S | Bend | cis | -71 | 167.6 | 34.8 | -90.5 | -127.4 | 0 | 0 | 0 | 119.5 | T1993 | T1993-H1995 WeakPolarHBondContact CA-O 3.37Š|
| 1996 | L | 25.5 | Very low | 27.3 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | trans | 59.3 | 112.7 | 159.5 | -96 | 73 | 0 | 0 | 0 | 120.4 | ||||
| 1997 | Q | 23.2 | Very low | 27.2 | Very low | 161 Ų | 161 | 144.2 Ų | 144.2 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | -156.9 | 122.4 | 150.2 | -173.1 | -177.6 | 1.4 | 0 | 0 | 105.5 | ||||
| 1998 | Q | 27.6 | Very low | 26.7 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | cis | -130.8 | 156.6 | -6.9 | -91 | 143.4 | -5.9 | 0 | 0 | 106.7 | ||||
| 1999 | R | 23 | Very low | 27.1 | Very low | 225 Ų | 225 | 144 Ų | 144 | 85% | 0.849 | 75% | 0.75 | S | S | * | * | 64.8 | 136.9 | 52.6 | -154.3 | -161.4 | -171.1 | -167.8 | 5 | 113.1 | |||||
| 2000 | P | 28.1 | Very low | 26.9 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | -113.3 | -165.6 | -53.9 | 40 | -25.5 | 0 | 0 | 0 | 110.8 | |||||
| 2001 | S | 26.5 | Very low | 26.9 | Very low | 127 Ų | 127 | 147.3 Ų | 147.3 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | trans | 68.3 | 147.2 | -178.4 | -53.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2002 | G | 26.7 | Very low | 26.7 | Very low | 60 Ų | 60 | 144 Ų | 144 | 62% | 0.619 | 75% | 0.753 | S | S | * | * | cis | 161.8 | 151.4 | -7.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2003 | Y | 26 | Very low | 26.5 | Very low | 232 Ų | 232 | 148.2 Ų | 148.2 | 91% | 0.91 | 76% | 0.764 | S | S | * | * | trans | 60.9 | 152.4 | 179.2 | -74.6 | -106 | 0 | 0 | 0 | 114.6 | ||||
| 2004 | V | 24.5 | Very low | 26.6 | Very low | 114 Ų | 114 | 146 Ų | 146 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | cis | -176.4 | 154.4 | -19.6 | 125.1 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 2005 | H | 26.3 | Very low | 26.4 | Very low | 152 Ų | 152 | 142 Ų | 142 | 70% | 0.704 | 76% | 0.759 | S | S | * | * | trans | 47.9 | 112 | 164 | -91.5 | 40 | 0 | 0 | 0 | 122.8 | ||||
| 2006 | Q | 25 | Very low | 26.6 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | 24.1 | 122.8 | 104.8 | -175.7 | -171.4 | 96 | 0 | 0 | 119.7 | |||||
| 2007 | Q | 24.4 | Very low | 27 | Very low | 190 Ų | 190 | 138.5 Ų | 138.5 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | trans | -170.1 | -174.8 | 133.6 | -108.8 | 176.7 | 21.9 | 0 | 0 | 112.4 | ||||
| 2008 | A | 20.7 | Very low | 27.2 | Very low | 93 Ų | 93 | 135.8 Ų | 135.8 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | -116.9 | -135.2 | -164.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 2009 | P | 35 | Very low | 27.1 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | -133.4 | -176.9 | -105.2 | 41.3 | -23.9 | 0 | 0 | 0 | 118.7 | |||||
| 2010 | T | 23.1 | Very low | 27.2 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | trans | 75.5 | 126.4 | 149.1 | 40.2 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 2011 | Y | 27.4 | Very low | 27 | Very low | 220 Ų | 220 | 139.3 Ų | 139.3 | 86% | 0.863 | 76% | 0.759 | S | S | * | * | trans | 48.5 | 158.3 | 147.7 | -60.4 | -65.4 | 0 | 0 | 0 | 121 | ||||
| 2012 | G | 27.1 | Very low | 27 | Very low | 71 Ų | 71 | 138 Ų | 138 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | cis | 163.5 | 170.7 | -0.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 2013 | H | 28.5 | Very low | 27 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 82% | 0.819 | 76% | 0.76 | S | S | * | * | cis | -156.7 | 176.4 | -9.3 | -161.5 | -87.6 | 0 | 0 | 0 | 108.5 | ||||
| 2014 | G | 31.3 | Very low | 26.9 | Very low | 56 Ų | 56 | 140.4 Ų | 140.4 | 58% | 0.577 | 75% | 0.752 | S | S | * | * | trans | -147.5 | 166.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 2015 | L | 29.1 | Very low | 26.8 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | trans | -158.1 | 169.2 | 178.6 | -78.3 | 178.9 | 0 | 0 | 0 | 108.2 | ||||
| 2016 | T | 30.6 | Very low | 26.8 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | cis | -114.6 | -143.7 | 2 | 50.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 2017 | S | 32.1 | Very low | 26.8 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | cis | -168 | 156.1 | -5.3 | 163.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 2018 | T | 27.9 | Very low | 26.9 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 63% | 0.632 | 75% | 0.749 | S | S | * | * | cis | -167.1 | 157.1 | -28.8 | -61.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 2019 | Q | 25.7 | Very low | 27.1 | Very low | 147 Ų | 147 | 139 Ų | 139 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | trans | 72 | 147.1 | -178.6 | -43.1 | -66.1 | -1.8 | 0 | 0 | 114.7 | ||||
| 2020 | R | 25 | Very low | 27.1 | Very low | 219 Ų | 219 | 140 Ų | 140 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | cis | -159.1 | -171.6 | -24.8 | -124.4 | -179.9 | -154 | -152.7 | 1.7 | 110.1 | ||||
| 2021 | F | 24.8 | Very low | 27.5 | Very low | 190 Ų | 190 | 142.8 Ų | 142.8 | 83% | 0.833 | 76% | 0.756 | S | S | * | * | trans | -59.7 | 143.3 | -173.6 | -82.4 | -97.1 | 0 | 0 | 0 | 118.6 | ||||
| 2022 | S | 26.1 | Very low | 27.5 | Very low | 100 Ų | 100 | 141.6 Ų | 141.6 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | 68.1 | 163.9 | 134.2 | 77.2 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 2023 | H | 26.7 | Very low | 27.5 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | trans | 82.6 | 165.6 | 172.7 | -85 | -88.5 | 0 | 0 | 0 | 120.8 | ||||
| 2024 | Q | 23.6 | Very low | 27.6 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | trans | -92.9 | 159.4 | -152.3 | -69.8 | 177.7 | -25 | 0 | 0 | 115.3 | ||||
| 2025 | T | 23.5 | Very low | 27.6 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | trans | 62.2 | 132.1 | 142.9 | 48.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 2026 | L | 24.7 | Very low | 28 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | 46.7 | 136.2 | 138 | -108.8 | 69.5 | 0 | 0 | 0 | 118.5 | ||||
| 2027 | Q | 24.6 | Very low | 28.1 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | cis | -176.6 | 162.2 | 37.3 | -158 | -179.4 | 53.1 | 0 | 0 | 105.6 | ||||
| 2028 | Q | 26.9 | Very low | 27.8 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | 171.7 | 132.8 | 92.7 | -89.2 | -163.4 | 4.4 | 0 | 0 | 112.6 | |||||
| 2029 | T | 25.4 | Very low | 27.8 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 62% | 0.62 | 78% | 0.775 | S | S | * | * | trans | 39.7 | 143.4 | 137.8 | 18 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 2030 | P | 34.8 | Very low | 28.1 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | -125.6 | 146.1 | 58.5 | 38.4 | -28.1 | 0 | 0 | 0 | 117.8 | |||||
| 2031 | M | 32.7 | Very low | 28.3 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 82% | 0.823 | 78% | 0.78 | S | S | * | * | trans | 14.5 | 152.2 | 155.8 | -60.1 | -56.4 | 178.7 | 0 | 0 | 123.9 | ||||
| 2032 | M | 26.7 | Very low | 28.8 | Very low | 195 Ų | 195 | 134.5 Ų | 134.5 | 96% | 0.961 | 78% | 0.775 | S | S | * | * | trans | -61.4 | 150.7 | 179.5 | -53.8 | 171 | -175 | 0 | 0 | 114.4 | ||||
| 2033 | G | 27.6 | Very low | 29 | Very low | 78 Ų | 78 | 136.1 Ų | 136.1 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -165.8 | 98.7 | 165 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2034 | T | 29.2 | Very low | 29.1 | Very low | 134 Ų | 134 | 136 Ų | 136 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -74.3 | 165.8 | 166.7 | 44.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2035 | M | 31.5 | Very low | 29.4 | Very low | 149 Ų | 149 | 133.4 Ų | 133.4 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | -173.1 | 114.2 | 122.7 | -82.9 | -121.4 | -178.5 | 0 | 0 | 111 | |||||
| 2036 | T | 38.3 | Very low | 29.7 | Very low | 125 Ų | 125 | 131 Ų | 131 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | S | Bend | -69.3 | 145.6 | 123.4 | 43.4 | 0 | 0 | 0 | 0 | 107.1 | |||
| 2037 | P | 32.6 | Very low | 29.9 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -62.3 | 142.1 | -177.8 | 25.3 | -33.9 | 0 | 0 | 0 | 112 | ||
| 2038 | L | 26.3 | Very low | 30.1 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 89.7 | 133.3 | 170.8 | -54.3 | 163.4 | 0 | 0 | 0 | 118.2 | ||
| 2039 | S | 27.7 | Very low | 30 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | 67.6 | 83.8 | 168.4 | 42 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 2040 | A | 31.1 | Very low | 30.1 | Very low | 85 Ų | 85 | 132.9 Ų | 132.9 | 70% | 0.702 | 80% | 0.802 | S | S | * | * | 24.8 | 157.3 | 112.2 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 2041 | Q | 30.4 | Very low | 29.6 | Very low | 195 Ų | 195 | 131.8 Ų | 131.8 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | cis | -178.1 | 135.9 | -21.4 | -173.4 | 167.6 | 9.9 | 0 | 0 | 111.6 | ||||
| 2042 | G | 34.2 | Very low | 29.4 | Very low | 71 Ų | 71 | 130.8 Ų | 130.8 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | 91 | 167.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 2043 | V | 31 | Very low | 29.6 | Very low | 134 Ų | 134 | 129.1 Ų | 129.1 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | cis | -166.8 | 139 | -39.9 | 116.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2044 | Q | 27.8 | Very low | 30.2 | Very low | 177 Ų | 177 | 130.5 Ų | 130.5 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | 64.3 | 138.1 | 158.7 | -71.7 | -176 | 9.2 | 0 | 0 | 126.4 | ||||
| 2045 | A | 30.4 | Very low | 30.3 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | trans | 58.8 | 147.2 | 149 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 2046 | G | 30.6 | Very low | 30.5 | Very low | 69 Ų | 69 | 135.2 Ų | 135.2 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | cis | 168.9 | 147.6 | -12.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 2047 | V | 28.5 | Very low | 30.3 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | 81.3 | 115.4 | 160.1 | -170.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 2048 | R | 28 | Very low | 30.8 | Very low | 231 Ų | 231 | 141.5 Ų | 141.5 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | 66.2 | 112.9 | 150.6 | -75.2 | 178.5 | 178.1 | 179.7 | 0.4 | 124.4 | ||||
| 2049 | S | 26 | Very low | 31.7 | Very low | 101 Ų | 101 | 143.4 Ų | 143.4 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | 70 | 123.6 | 129.7 | 61.3 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 2050 | T | 26.7 | Very low | 32.8 | Very low | 131 Ų | 131 | 146.4 Ų | 146.4 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | 77.1 | 115.3 | 142.7 | 43.1 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 2051 | S | 25.2 | Very low | 33.8 | Very low | 106 Ų | 106 | 149.9 Ų | 149.9 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | trans | 104 | 123.2 | 136.2 | 77.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 2052 | I | 26.8 | Very low | 34.9 | Very low | 146 Ų | 146 | 148.4 Ų | 148.4 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | trans | 81.2 | 113.4 | 141 | -67.3 | 164.2 | 0 | 0 | 0 | 121.7 | ||||
| 2053 | L | 30.9 | Very low | 35.8 | Very low | 159 Ų | 159 | 152.6 Ų | 152.6 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | 57.4 | 160.8 | 150.9 | -97.1 | 66.2 | 0 | 0 | 0 | 121.3 | ||||
| 2054 | P | 42.3 | Very low | 36.9 | Very low | 107 Ų | 107 | 153.1 Ų | 153.1 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | cis | -130.5 | -174.7 | -19 | 41.2 | -25 | 0 | 0 | 0 | 114.8 | ||||
| 2055 | E | 30.5 | Very low | 38.3 | Very low | 179 Ų | 179 | 151.6 Ų | 151.6 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | 69.2 | 84.1 | 147.8 | -153.6 | 170.3 | 145.8 | 0 | 0 | 122 | ||||
| 2056 | Q | 35.3 | Very low | 39.7 | Very low | 203 Ų | 203 | 153.5 Ų | 153.5 | 95% | 0.949 | 78% | 0.784 | S | S | * | * | trans | -149.4 | 67.2 | 133 | -162.7 | 176.3 | 87.6 | 0 | 0 | 110.6 | ||||
| 2057 | Q | 34 | Very low | 41.3 | Very low | 189 Ų | 189 | 157 Ų | 157 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -115.1 | 67.1 | -163.3 | -165.4 | -176.9 | 12.4 | 0 | 0 | 113.3 | ||||
| 2058 | Q | 43 | Very low | 43 | Very low | 179 Ų | 179 | 156.8 Ų | 156.8 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -142.8 | -22.6 | 175.2 | -133.1 | 176 | 22.9 | 0 | 0 | 117.8 | ||
| 2059 | Q | 46.4 | Very low | 44.8 | Very low | 191 Ų | 191 | 152.9 Ų | 152.9 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -90.3 | -16.8 | -175.8 | -116.1 | 177.1 | 4.4 | 0 | 0 | 115.7 | ||
| 2060 | Q | 49.7 | Very low | 46.7 | Very low | 178 Ų | 178 | 155 Ų | 155 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -82.6 | -12.4 | -177.6 | -151.8 | 172.1 | 43.1 | 0 | 0 | 114 | ||
| 2061 | Q | 52.2 | Low | 48.7 | Very low | 158 Ų | 158 | 155.1 Ų | 155.1 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -80.8 | -25.9 | -172.1 | -159.6 | 169.5 | 41.7 | 0 | 0 | 113.8 | ||
| 2062 | Q | 52.8 | Low | 50.7 | Low | 164 Ų | 164 | 156.7 Ų | 156.7 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -78 | -35.8 | -175.6 | -156.8 | 171.1 | 38.5 | 0 | 0 | 112.9 | Q2065 Q2066 | Q2062-Q2065 PolarHBondContact O-N 3.04Å; Q2062-Q2066 PolarHBondContact O-N 2.91Å |
| 2063 | Q | 52.8 | Low | 52.7 | Low | 159 Ų | 159 | 156.7 Ų | 156.7 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -72 | -33.8 | -178.5 | -154.8 | 172.9 | 47.1 | 0 | 0 | 112.4 | Q2066 Q2067 | Q2063-Q2066 PolarHBondContact O-N 3.39Å; Q2063-Q2067 PolarHBondContact O-N 2.83Å |
| 2064 | Q | 55.9 | Low | 54.5 | Low | 145 Ų | 145 | 155.9 Ų | 155.9 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -70.5 | -30.7 | 177.8 | -164.2 | 171.1 | 77 | 0 | 0 | 112.5 | Q2068 | Q2064-Q2068 PolarHBondContact O-N 3.22Å |
| 2065 | Q | 55.8 | Low | 55.7 | Low | 146 Ų | 146 | 157 Ų | 157 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -70.8 | -36.7 | 177.4 | -165.3 | 170.3 | 66 | 0 | 0 | 112.3 | Q2062 Q2068 Q2069 | Q2062-Q2065 PolarHBondContact O-N 3.04Å; Q2065-Q2068 PolarHBondContact O-N 3.22Å; Q2065-Q2069 PolarHBondContact O-N 2.65Å; Q2065-Q2069 VanDerWaalsContact O-N 3.15Å |
| 2066 | Q | 60.1 | Low | 57.3 | Low | 146 Ų | 146 | 155.4 Ų | 155.4 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -69.3 | -40 | 177.1 | -163 | 172.7 | 55.8 | 0 | 0 | 112.1 | Q2062 Q2063 Q2068 Q2069 Q2070 | Q2062-Q2066 PolarHBondContact O-N 2.91Å; Q2063-Q2066 PolarHBondContact O-N 3.39Å; Q2066-Q2068 VanDerWaalsContact C-N 3.34Å; Q2066-Q2068 PolarHBondContact O-N 2.86Å; Q2066-Q2069 PolarHBondContact O-N 3.37Å; Q2066-Q2070 PolarHBondContact O-N 2.68Å; Q2066-Q2070 VanDerWaalsContact O-N 3.12Å |
| 2067 | Q | 63.8 | Low | 58.8 | Low | 141 Ų | 141 | 152.5 Ų | 152.5 | 66% | 0.659 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -64.6 | -37.4 | 175.8 | -165.7 | 173.7 | 66.5 | 0 | 0 | 112.2 | Q2063 Q2070 Q2071 | Q2063-Q2067 PolarHBondContact O-N 2.83Å; Q2067-Q2070 PolarHBondContact O-N 3.27Å; Q2067-Q2071 PolarHBondContact O-N 3.46Å; Q2067-Q2071 VanDerWaalsContact O-N 3.12Å |
| 2068 | Q | 64 | Low | 60.4 | Low | 134 Ų | 134 | 149.9 Ų | 149.9 | 63% | 0.626 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -67.8 | -34.8 | 175.8 | -168.8 | 169.7 | 92.7 | 0 | 0 | 112.7 | Q2064 Q2065 Q2066 Q2072 | Q2064-Q2068 PolarHBondContact O-N 3.22Å; Q2065-Q2068 PolarHBondContact O-N 3.22Å; Q2066-Q2068 VanDerWaalsContact C-N 3.34Å; Q2066-Q2068 PolarHBondContact O-N 2.86Å; Q2068-Q2072 WeakPolarHBondContact O-CB 3.46Å; Q2068-Q2072 PolarHBondContact O-N 2.59Å; Q2068-Q2072 VanDerWaalsContact O-N 3.12Å |
| 2069 | Q | 65.9 | Low | 61.4 | Low | 149 Ų | 149 | 147 Ų | 147 | 70% | 0.696 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -69.6 | -40.3 | 176.3 | -166.1 | 171.9 | 65.9 | 0 | 0 | 112.2 | Q2065 Q2066 Q2072 Q2073 | Q2065-Q2069 PolarHBondContact O-N 2.65Å; Q2065-Q2069 VanDerWaalsContact O-N 3.15Å; Q2066-Q2069 PolarHBondContact O-N 3.37Å; Q2069-Q2072 PolarHBondContact O-N 3.28Å; Q2069-Q2073 PolarHBondContact O-N 2.88Å; Q2069-Q2073 VanDerWaalsContact O-N 3.1Å |
| 2070 | Q | 66.3 | Low | 62.3 | Low | 146 Ų | 146 | 144.3 Ų | 144.3 | 68% | 0.682 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -65.6 | -40.9 | 176.4 | -166 | 174.3 | 62.3 | 0 | 0 | 112 | Q2066 Q2067 Q2072 Q2073 Q2074 | Q2066-Q2070 PolarHBondContact O-N 2.68Å; Q2066-Q2070 VanDerWaalsContact O-N 3.12Å; Q2067-Q2070 PolarHBondContact O-N 3.27Å; Q2070-Q2072 VanDerWaalsContact C-N 3.32Å; Q2070-Q2072 PolarHBondContact O-N 2.91Å; Q2070-Q2073 PolarHBondContact O-N 3.37Å; Q2070-Q2074 PolarHBondContact O-N 3.3Å |
| 2071 | Q | 68.3 | Low | 63.1 | Low | 133 Ų | 133 | 142.3 Ų | 142.3 | 62% | 0.621 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -64.4 | -35.7 | 175.5 | -167.7 | 173.8 | 84.8 | 0 | 0 | 112.3 | Q2067 Q2075 | Q2067-Q2071 PolarHBondContact O-N 3.46Å; Q2067-Q2071 VanDerWaalsContact O-N 3.12Å; Q2071-Q2075 WeakPolarHBondContact O-CB 3.38Å; Q2071-Q2075 PolarHBondContact O-N 3.45Å; Q2071-Q2075 VanDerWaalsContact O-N 3.09Å |
| 2072 | Q | 67 | Low | 63.5 | Low | 138 Ų | 138 | 140.5 Ų | 140.5 | 65% | 0.645 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -69.1 | -36.2 | 176 | -167.2 | 170.3 | 101.7 | 0 | 0 | 112.5 | Q2068 Q2069 Q2070 Q2076 | Q2068-Q2072 WeakPolarHBondContact O-CB 3.46Å; Q2068-Q2072 PolarHBondContact O-N 2.59Å; Q2068-Q2072 VanDerWaalsContact O-N 3.12Å; Q2069-Q2072 PolarHBondContact O-N 3.28Å; Q2070-Q2072 VanDerWaalsContact C-N 3.32Å; Q2070-Q2072 PolarHBondContact O-N 2.91Å; Q2072-Q2076 PolarHBondContact O-N 3.28Å; Q2072-Q2076 VanDerWaalsContact O-N 3.15Å |
| 2073 | Q | 69.2 | Low | 63.9 | Low | 146 Ų | 146 | 138.7 Ų | 138.7 | 68% | 0.682 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69 | -41.7 | 175.8 | -165.6 | 173.2 | 66 | 0 | 0 | 112 | Q2069 Q2070 Q2075 Q2076 Q2077 | Q2069-Q2073 PolarHBondContact O-N 2.88Å; Q2069-Q2073 VanDerWaalsContact O-N 3.1Å; Q2070-Q2073 PolarHBondContact O-N 3.37Å; Q2073-Q2075 PolarHBondContact O-N 2.92Å; Q2073-Q2076 PolarHBondContact O-N 2.88Å; Q2073-Q2077 PolarHBondContact O-N 3.21Å; Q2073-Q2077 VanDerWaalsContact O-N 3.09Å |
| 2074 | Q | 69.4 | Low | 64.4 | Low | 143 Ų | 143 | 137.5 Ų | 137.5 | 67% | 0.668 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.4 | -40 | 176.1 | -165.8 | 174.9 | 67.5 | 0 | 0 | 112 | Q2070 Q2076 Q2077 Q2078 | Q2070-Q2074 PolarHBondContact O-N 3.3Å; Q2074-Q2076 VanDerWaalsContact C-N 3.3Å; Q2074-Q2076 PolarHBondContact O-N 3.06Å; Q2074-Q2077 PolarHBondContact O-N 3.1Å; Q2074-Q2078 PolarHBondContact O-N 3.42Å; Q2074-Q2078 VanDerWaalsContact O-N 3.08Å |
| 2075 | Q | 66.3 | Low | 64.7 | Low | 129 Ų | 129 | 137.2 Ų | 137.2 | 60% | 0.603 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.1 | -30.8 | 175.1 | -167 | 174.1 | 100.6 | 0 | 0 | 112.8 | Q2071 Q2073 Q2079 | Q2071-Q2075 WeakPolarHBondContact O-CB 3.38Å; Q2071-Q2075 PolarHBondContact O-N 3.45Å; Q2071-Q2075 VanDerWaalsContact O-N 3.09Å; Q2073-Q2075 PolarHBondContact O-N 2.92Å; Q2075-Q2079 PolarHBondContact O-N 2.83Å |
| 2076 | Q | 65.3 | Low | 64.8 | Low | 146 Ų | 146 | 136.3 Ų | 136.3 | 68% | 0.682 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.8 | -39 | 175.3 | -163.4 | 171.8 | 88.2 | 0 | 0 | 111.9 | Q2072 Q2073 Q2074 Q2079 Q2080 | Q2072-Q2076 PolarHBondContact O-N 3.28Å; Q2072-Q2076 VanDerWaalsContact O-N 3.15Å; Q2073-Q2076 PolarHBondContact O-N 2.88Å; Q2074-Q2076 VanDerWaalsContact C-N 3.3Å; Q2074-Q2076 PolarHBondContact O-N 3.06Å; Q2076-Q2079 PolarHBondContact O-N 2.74Å; Q2076-Q2080 PolarHBondContact O-N 3.23Å; Q2076-Q2080 VanDerWaalsContact O-N 3.13Å |
| 2077 | Q | 66.8 | Low | 64.8 | Low | 143 Ų | 143 | 136 Ų | 136 | 67% | 0.668 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.2 | -42.1 | 176.5 | -152.7 | 175.7 | 44.8 | 0 | 0 | 111.8 | Q2073 Q2074 Q2079 Q2080 Q2081 | Q2073-Q2077 PolarHBondContact O-N 3.21Å; Q2073-Q2077 VanDerWaalsContact O-N 3.09Å; Q2074-Q2077 PolarHBondContact O-N 3.1Å; Q2077-Q2079 VanDerWaalsContact C-N 3.31Å; Q2077-Q2079 PolarHBondContact O-N 2.86Å; Q2077-Q2080 WeakPolarHBondContact O-CB 3.26Å; Q2077-Q2080 PolarHBondContact O-N 3.27Å; Q2077-Q2080 VanDerWaalsContact O-N 3.12Å; Q2077-Q2081 PolarHBondContact O-N 3.36Å |
| 2078 | Q | 67.1 | Low | 64.8 | Low | 133 Ų | 133 | 137.4 Ų | 137.4 | 62% | 0.621 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.5 | -34.9 | 175.8 | -161.8 | 176.3 | 66.2 | 0 | 0 | 112.3 | Q2074 Q2080 Q2081 Q2082 | Q2074-Q2078 PolarHBondContact O-N 3.42Å; Q2074-Q2078 VanDerWaalsContact O-N 3.08Å; Q2078-Q2080 VanDerWaalsContact C-N 3.34Å; Q2078-Q2081 PolarHBondContact O-N 3.47Å; Q2078-Q2082 PolarHBondContact O-N 3.17Å; Q2078-Q2082 VanDerWaalsContact O-N 3.14Å |
| 2079 | Q | 63.4 | Low | 64.7 | Low | 119 Ų | 119 | 137.7 Ų | 137.7 | 56% | 0.556 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.1 | -29.5 | 174.5 | -163.9 | 168.8 | 120.8 | 0 | 0 | 112.9 | Q2075 Q2076 Q2077 Q2083 | Q2075-Q2079 PolarHBondContact O-N 2.83Å; Q2076-Q2079 PolarHBondContact O-N 2.74Å; Q2077-Q2079 VanDerWaalsContact C-N 3.31Å; Q2077-Q2079 PolarHBondContact O-N 2.86Å; Q2079-Q2083 PolarHBondContact O-N 3.32Å |
| 2080 | Q | 65.6 | Low | 64.6 | Low | 134 Ų | 134 | 135.2 Ų | 135.2 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73 | -37 | 174.2 | -153.3 | 173.3 | 48.9 | 0 | 0 | 111.6 | Q2076 Q2077 Q2078 Q2083 Q2084 | Q2076-Q2080 PolarHBondContact O-N 3.23Å; Q2076-Q2080 VanDerWaalsContact O-N 3.13Å; Q2077-Q2080 WeakPolarHBondContact O-CB 3.26Å; Q2077-Q2080 PolarHBondContact O-N 3.27Å; Q2077-Q2080 VanDerWaalsContact O-N 3.12Å; Q2078-Q2080 VanDerWaalsContact C-N 3.34Å; Q2080-Q2083 PolarHBondContact O-N 2.78Å; Q2080-Q2084 PolarHBondContact O-N 3.23Å; Q2080-Q2084 VanDerWaalsContact O-N 3.14Å |
| 2081 | Q | 66.1 | Low | 64.4 | Low | 137 Ų | 137 | 136.8 Ų | 136.8 | 64% | 0.64 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.8 | -40.7 | 174.3 | -129.9 | 177.6 | 23.1 | 0 | 0 | 112.3 | Q2077 Q2078 Q2083 Q2084 Q2085 | Q2077-Q2081 PolarHBondContact O-N 3.36Å; Q2078-Q2081 PolarHBondContact O-N 3.47Å; Q2081-Q2083 VanDerWaalsContact C-N 3.31Å; Q2081-Q2083 PolarHBondContact O-N 3.15Å; Q2081-Q2084 PolarHBondContact O-N 3.36Å; Q2081-Q2085 PolarHBondContact O-N 2.84Å |
| 2082 | Q | 62.5 | Low | 64.3 | Low | 120 Ų | 120 | 135.7 Ų | 135.7 | 56% | 0.561 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.5 | -34.3 | 172.7 | -81.8 | -167.8 | -8.7 | 0 | 0 | 113.1 | Q2078 Q2085 Q2086 | Q2078-Q2082 PolarHBondContact O-N 3.17Å; Q2078-Q2082 VanDerWaalsContact O-N 3.14Å; Q2082-Q2085 PolarHBondContact O-N 2.9Å; Q2082-Q2086 WeakPolarHBondContact O-CG 3.38Å; Q2082-Q2086 PolarHBondContact O-N 3.08Å |
| 2083 | Q | 60.6 | Low | 64 | Low | 125 Ų | 125 | 135.7 Ų | 135.7 | 58% | 0.584 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.3 | -39 | 174.7 | -74.2 | -171.6 | 12.8 | 0 | 0 | 112.3 | Q2079 Q2080 Q2081 Q2086 Q2087 | Q2079-Q2083 PolarHBondContact O-N 3.32Å; Q2080-Q2083 PolarHBondContact O-N 2.78Å; Q2081-Q2083 VanDerWaalsContact C-N 3.31Å; Q2081-Q2083 PolarHBondContact O-N 3.15Å; Q2083-Q2086 PolarHBondContact O-N 2.78Å; Q2083-Q2087 WeakPolarHBondContact O-CB 3.1Å; Q2083-Q2087 PolarHBondContact O-N 2.87Å |
| 2084 | Q | 62.7 | Low | 63.6 | Low | 135 Ų | 135 | 135 Ų | 135 | 63% | 0.631 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.7 | -42.5 | 173.8 | -74.4 | -167.8 | -2.5 | 0 | 0 | 112.3 | Q2080 Q2081 Q2087 Y2088 | Q2080-Q2084 PolarHBondContact O-N 3.23Å; Q2080-Q2084 VanDerWaalsContact O-N 3.14Å; Q2081-Q2084 PolarHBondContact O-N 3.36Å; Q2084-Q2087 PolarHBondContact O-N 3.04Å; Q2084-Y2088 WeakPolarHBondContact O-CB 3.46Å; Q2084-Y2088 PolarHBondContact O-N 3.32Å |
| 2085 | Q | 62 | Low | 63.1 | Low | 139 Ų | 139 | 133.8 Ų | 133.8 | 65% | 0.65 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.2 | -43 | 176 | -74.8 | -173.2 | -12.4 | 0 | 0 | 112.5 | Q2081 Q2082 Q2087 Y2088 H2089 | Q2081-Q2085 PolarHBondContact O-N 2.84Å; Q2082-Q2085 PolarHBondContact O-N 2.9Å; Q2085-Q2087 VanDerWaalsContact C-N 3.33Å; Q2085-Q2087 PolarHBondContact O-N 3.02Å; Q2085-Y2088 PolarHBondContact O-N 3.07Å; Q2085-H2089 PolarHBondContact O-N 3.37Å |
| 2086 | Q | 58.6 | Low | 62.8 | Low | 127 Ų | 127 | 134.4 Ų | 134.4 | 59% | 0.593 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.3 | -38.3 | 174.2 | -73.6 | -172.6 | 5 | 0 | 0 | 112.3 | Q2082 Q2083 H2089 I2090 | Q2082-Q2086 WeakPolarHBondContact O-CG 3.38Å; Q2082-Q2086 PolarHBondContact O-N 3.08Å; Q2083-Q2086 PolarHBondContact O-N 2.78Å; Q2086-H2089 PolarHBondContact O-N 2.86Å; Q2086-I2090 WeakPolarHBondContact O-CB 3.49Å; Q2086-I2090 VanDerWaalsContact O-CG1 3.29Å; Q2086-I2090 WeakPolarHBondContact O-CG1 3.41Å; Q2086-I2090 PolarHBondContact O-N 2.97Å |
| 2087 | Q | 60.9 | Low | 62.6 | Low | 139 Ų | 139 | 134 Ų | 134 | 65% | 0.65 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70 | -32.1 | 177.4 | -160 | 172.4 | 27.3 | 0 | 0 | 112.4 | Q2083 Q2084 Q2085 R2091 | Q2083-Q2087 WeakPolarHBondContact O-CB 3.1Å; Q2083-Q2087 PolarHBondContact O-N 2.87Å; Q2084-Q2087 PolarHBondContact O-N 3.04Å; Q2085-Q2087 VanDerWaalsContact C-N 3.33Å; Q2085-Q2087 PolarHBondContact O-N 3.02Å; Q2087-R2091 WeakPolarHBondContact O-CB 3.42Å; Q2087-R2091 PolarHBondContact O-N 3.48Å |
| 2088 | Y | 63.1 | Low | 62.3 | Low | 171 Ų | 171 | 133.7 Ų | 133.7 | 67% | 0.671 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.8 | -45.8 | 172.9 | -155.1 | -90.5 | 0 | 0 | 0 | 111.5 | Q2084 Q2085 I2090 R2091 Q2092 | Q2084-Y2088 WeakPolarHBondContact O-CB 3.46Å; Q2084-Y2088 PolarHBondContact O-N 3.32Å; Q2085-Y2088 PolarHBondContact O-N 3.07Å; Y2088-I2090 PolarHBondContact O-N 2.94Å; Y2088-R2091 PolarHBondContact O-N 2.97Å; Y2088-Q2092 WeakPolarHBondContact O-CB 3.49Å; Y2088-Q2092 PolarHBondContact O-N 3.43Å |
| 2089 | H | 62.5 | Low | 62.2 | Low | 139 Ų | 139 | 132 Ų | 132 | 64% | 0.644 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.7 | -42.2 | 174.6 | -115.3 | 36.5 | 0 | 0 | 0 | 112.3 | Q2085 Q2086 Q2092 Q2093 | Q2085-H2089 PolarHBondContact O-N 3.37Å; Q2086-H2089 PolarHBondContact O-N 2.86Å; H2089-Q2092 PolarHBondContact O-N 3Å; H2089-Q2093 WeakPolarHBondContact O-CB 3.24Å; H2089-Q2093 PolarHBondContact O-N 3.24Å |
| 2090 | I | 62.3 | Low | 62 | Low | 98 Ų | 98 | 131.6 Ų | 131.6 | 50% | 0.503 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.5 | -39.8 | 175.5 | -72.4 | 168.2 | 0 | 0 | 0 | 111.3 | Q2086 Y2088 Q2093 Q2094 | Q2086-I2090 WeakPolarHBondContact O-CB 3.49Å; Q2086-I2090 VanDerWaalsContact O-CG1 3.29Å; Q2086-I2090 WeakPolarHBondContact O-CG1 3.41Å; Q2086-I2090 PolarHBondContact O-N 2.97Å; Y2088-I2090 PolarHBondContact O-N 2.94Å; I2090-Q2093 PolarHBondContact O-N 3.36Å; I2090-Q2094 WeakPolarHBondContact O-CB 3.47Å; I2090-Q2094 PolarHBondContact O-N 2.96Å |
| 2091 | R | 63.1 | Low | 61.7 | Low | 178 Ų | 178 | 132.9 Ų | 132.9 | 67% | 0.672 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.9 | -44.7 | 174.5 | -178.5 | 178.2 | -73.9 | -164.3 | -1.1 | 111.5 | Q2087 Y2088 Q2094 Q2095 | Q2087-R2091 WeakPolarHBondContact O-CB 3.42Å; Q2087-R2091 PolarHBondContact O-N 3.48Å; Y2088-R2091 PolarHBondContact O-N 2.97Å; R2091-Q2094 PolarHBondContact O-N 3.01Å; R2091-Q2095 WeakPolarHBondContact O-CB 3.43Å; R2091-Q2095 PolarHBondContact O-N 3.11Å |
| 2092 | Q | 65 | Low | 61.4 | Low | 111 Ų | 111 | 132.9 Ų | 132.9 | 52% | 0.519 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.1 | -41.1 | 178.9 | -163.4 | 175.4 | 21.1 | 0 | 0 | 111.4 | Y2088 H2089 Q2095 Q2096 | Y2088-Q2092 WeakPolarHBondContact O-CB 3.49Å; Y2088-Q2092 PolarHBondContact O-N 3.43Å; H2089-Q2092 PolarHBondContact O-N 3Å; Q2092-Q2095 PolarHBondContact O-N 3.16Å; Q2092-Q2096 WeakPolarHBondContact O-CB 3.47Å; Q2092-Q2096 PolarHBondContact O-N 3.39Å |
| 2093 | Q | 62.2 | Low | 61.2 | Low | 137 Ų | 137 | 132.8 Ų | 132.8 | 64% | 0.64 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69 | -36.9 | 176.6 | -168.7 | 169.7 | 70.1 | 0 | 0 | 112.6 | H2089 I2090 Q2097 | H2089-Q2093 WeakPolarHBondContact O-CB 3.24Å; H2089-Q2093 PolarHBondContact O-N 3.24Å; I2090-Q2093 PolarHBondContact O-N 3.36Å; Q2093-Q2097 VanDerWaalsContact O-CB 3.32Å; Q2093-Q2097 WeakPolarHBondContact O-CB 3.46Å; Q2093-Q2097 PolarHBondContact O-N 3.45Å |
| 2094 | Q | 59.5 | Low | 61.3 | Low | 131 Ų | 131 | 132.8 Ų | 132.8 | 61% | 0.612 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.8 | -43.1 | 169.8 | -83.9 | -168.5 | -25.2 | 0 | 0 | 112.1 | I2090 R2091 Q2096 Q2097 Q2098 | I2090-Q2094 WeakPolarHBondContact O-CB 3.47Å; I2090-Q2094 PolarHBondContact O-N 2.96Å; R2091-Q2094 PolarHBondContact O-N 3.01Å; Q2094-Q2096 PolarHBondContact O-N 2.95Å; Q2094-Q2097 PolarHBondContact O-N 3.32Å; Q2094-Q2098 VanDerWaalsContact O-CB 3.29Å; Q2094-Q2098 WeakPolarHBondContact O-CB 3.27Å; Q2094-Q2098 PolarHBondContact O-N 2.74Å |
| 2095 | Q | 59.5 | Low | 61.1 | Low | 118 Ų | 118 | 131.5 Ų | 131.5 | 55% | 0.551 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.4 | -40.5 | -179.8 | -163.8 | 169.1 | 19.6 | 0 | 0 | 111.5 | R2091 Q2092 Q2098 I2099 | R2091-Q2095 WeakPolarHBondContact O-CB 3.43Å; R2091-Q2095 PolarHBondContact O-N 3.11Å; Q2092-Q2095 PolarHBondContact O-N 3.16Å; Q2095-Q2098 PolarHBondContact O-N 2.8Å; Q2095-I2099 HydrophobicContact CG-CD1 4.45Å; Q2095-I2099 WeakPolarHBondContact O-CG1 3.39Å; Q2095-I2099 PolarHBondContact O-N 3.01Å |
| 2096 | Q | 60.2 | Low | 60.8 | Low | 143 Ų | 143 | 131 Ų | 131 | 67% | 0.668 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.9 | -40.5 | 173.7 | -166.5 | 172.7 | 60.8 | 0 | 0 | 112 | Q2092 Q2094 Q2098 I2099 L2100 | Q2092-Q2096 WeakPolarHBondContact O-CB 3.47Å; Q2092-Q2096 PolarHBondContact O-N 3.39Å; Q2094-Q2096 PolarHBondContact O-N 2.95Å; Q2096-Q2098 VanDerWaalsContact C-N 3.34Å; Q2096-I2099 PolarHBondContact O-N 2.95Å; Q2096-L2100 WeakPolarHBondContact O-CB 3.35Å; Q2096-L2100 PolarHBondContact O-N 3.32Å |
| 2097 | Q | 61.4 | Low | 60.9 | Low | 137 Ų | 137 | 131 Ų | 131 | 64% | 0.64 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.6 | -28.2 | 175.7 | -169.1 | 169.1 | 92.3 | 0 | 0 | 113.1 | Q2093 Q2094 R2101 | Q2093-Q2097 VanDerWaalsContact O-CB 3.32Å; Q2093-Q2097 WeakPolarHBondContact O-CB 3.46Å; Q2093-Q2097 PolarHBondContact O-N 3.45Å; Q2094-Q2097 PolarHBondContact O-N 3.32Å; Q2097-R2101 PolarHBondContact O-N 3.09Å |
| 2098 | Q | 59.6 | Low | 60.8 | Low | 137 Ų | 137 | 130.2 Ų | 130.2 | 64% | 0.64 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -76.5 | -38.5 | 174.8 | -165.6 | 169 | 15.1 | 0 | 0 | 111.7 | Q2094 Q2095 Q2096 R2101 Q2102 | Q2094-Q2098 VanDerWaalsContact O-CB 3.29Å; Q2094-Q2098 WeakPolarHBondContact O-CB 3.27Å; Q2094-Q2098 PolarHBondContact O-N 2.74Å; Q2095-Q2098 PolarHBondContact O-N 2.8Å; Q2096-Q2098 VanDerWaalsContact C-N 3.34Å; Q2098-R2101 PolarHBondContact O-N 3.18Å; Q2098-Q2102 WeakPolarHBondContact O-CB 3.22Å; Q2098-Q2102 PolarHBondContact O-N 3.16Å |
| 2099 | I | 64.6 | Low | 60.4 | Low | 96 Ų | 96 | 128.4 Ų | 128.4 | 49% | 0.492 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.5 | -45.1 | 168.3 | -71.3 | 165.6 | 0 | 0 | 0 | 110.1 | Q2095 Q2096 R2101 Q2102 Q2103 | Q2095-I2099 HydrophobicContact CG-CD1 4.45Å; Q2095-I2099 WeakPolarHBondContact O-CG1 3.39Å; Q2095-I2099 PolarHBondContact O-N 3.01Å; Q2096-I2099 PolarHBondContact O-N 2.95Å; I2099-R2101 VanDerWaalsContact C-N 3.34Å; I2099-R2101 PolarHBondContact O-N 3.08Å; I2099-Q2102 PolarHBondContact O-N 3.45Å; I2099-Q2102 VanDerWaalsContact O-N 3.11Å; I2099-Q2103 WeakPolarHBondContact O-CB 3.41Å; I2099-Q2103 PolarHBondContact O-N 3Å |
| 2100 | L | 59.2 | Low | 59.9 | Low | 111 Ų | 111 | 128.2 Ų | 128.2 | 58% | 0.581 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60.7 | -40.9 | 176.8 | -140.1 | 75.5 | 0 | 0 | 0 | 112.2 | Q2096 Q2104 | Q2096-L2100 WeakPolarHBondContact O-CB 3.35Å; Q2096-L2100 PolarHBondContact O-N 3.32Å; L2100-Q2104 VanDerWaalsContact O-CB 3.23Å; L2100-Q2104 WeakPolarHBondContact O-CB 3.42Å; L2100-Q2104 PolarHBondContact O-N 3.34Å |
| 2101 | R | 60.9 | Low | 59.6 | Low | 161 Ų | 161 | 129.8 Ų | 129.8 | 61% | 0.608 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.4 | -37.7 | 172.6 | -90.4 | -162.8 | 64.5 | 177.6 | -2.8 | 113.4 | Q2097 Q2098 I2099 Q2105 | Q2097-R2101 PolarHBondContact O-N 3.09Å; Q2098-R2101 PolarHBondContact O-N 3.18Å; I2099-R2101 VanDerWaalsContact C-N 3.34Å; I2099-R2101 PolarHBondContact O-N 3.08Å; R2101-Q2105 WeakPolarHBondContact O-CG 3.43Å; R2101-Q2105 PolarHBondContact O-N 3.42Å |
| 2102 | Q | 59.2 | Low | 59.3 | Low | 137 Ų | 137 | 127.8 Ų | 127.8 | 64% | 0.64 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.1 | -38.9 | -178.9 | -167.9 | 165.2 | 70.1 | 0 | 0 | 111.5 | Q2098 I2099 Q2105 Q2106 | Q2098-Q2102 WeakPolarHBondContact O-CB 3.22Å; Q2098-Q2102 PolarHBondContact O-N 3.16Å; I2099-Q2102 PolarHBondContact O-N 3.45Å; I2099-Q2102 VanDerWaalsContact O-N 3.11Å; Q2102-Q2105 PolarHBondContact O-N 3.34Å; Q2102-Q2106 PolarHBondContact O-N 3.34Å |
| 2103 | Q | 57.7 | Low | 58.6 | Low | 118 Ų | 118 | 129 Ų | 129 | 55% | 0.551 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.1 | -38.9 | 172.2 | -167.4 | 171.9 | 68.6 | 0 | 0 | 111.6 | I2099 Q2106 Q2107 | I2099-Q2103 WeakPolarHBondContact O-CB 3.41Å; I2099-Q2103 PolarHBondContact O-N 3Å; Q2103-Q2106 PolarHBondContact O-N 3.09Å; Q2103-Q2107 PolarHBondContact O-N 2.74Å |
| 2104 | Q | 62.6 | Low | 58.1 | Low | 125 Ų | 125 | 129 Ų | 129 | 58% | 0.584 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.9 | -32.4 | 173.3 | -171.6 | 168 | 81 | 0 | 0 | 112.9 | L2100 Q2108 | L2100-Q2104 VanDerWaalsContact O-CB 3.23Å; L2100-Q2104 WeakPolarHBondContact O-CB 3.42Å; L2100-Q2104 PolarHBondContact O-N 3.34Å; Q2104-Q2108 PolarHBondContact O-N 3.02Å |
| 2105 | Q | 58.9 | Low | 57.8 | Low | 108 Ų | 108 | 129.1 Ų | 129.1 | 51% | 0.505 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -72.5 | -34.9 | 170.7 | -77.6 | -170.8 | -77.8 | 0 | 0 | 112.9 | R2101 Q2102 Q2108 Q2109 | R2101-Q2105 WeakPolarHBondContact O-CG 3.43Å; R2101-Q2105 PolarHBondContact O-N 3.42Å; Q2102-Q2105 PolarHBondContact O-N 3.34Å; Q2105-Q2108 PolarHBondContact O-N 2.95Å; Q2105-Q2109 PolarHBondContact O-N 3.45Å |
| 2106 | Q | 56.6 | Low | 57.3 | Low | 129 Ų | 129 | 130.5 Ų | 130.5 | 60% | 0.603 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.6 | -39.7 | 171.3 | -82.4 | -174.7 | -28.8 | 0 | 0 | 112.1 | Q2102 Q2103 Q2108 Q2109 Q2110 | Q2102-Q2106 PolarHBondContact O-N 3.34Å; Q2103-Q2106 PolarHBondContact O-N 3.09Å; Q2106-Q2108 PolarHBondContact O-N 3.45Å; Q2106-Q2109 PolarHBondContact O-N 2.94Å; Q2106-Q2110 PolarHBondContact O-N 3.42Å |
| 2107 | Q | 59.2 | Low | 56.6 | Low | 126 Ų | 126 | 131.1 Ų | 131.1 | 59% | 0.589 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.7 | -39.1 | 171.6 | -81.1 | -172.5 | -21.3 | 0 | 0 | 112.5 | Q2103 Q2110 Q2111 | Q2103-Q2107 PolarHBondContact O-N 2.74Å; Q2107-Q2110 PolarHBondContact O-N 3.46Å; Q2107-Q2111 WeakPolarHBondContact O-CB 3.17Å; Q2107-Q2111 WeakPolarHBondContact O-CG 3.42Å; Q2107-Q2111 PolarHBondContact O-N 3.16Å |
| 2108 | Q | 59.2 | Low | 55.8 | Low | 123 Ų | 123 | 132.6 Ų | 132.6 | 58% | 0.575 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.8 | -36.2 | 173.7 | -80 | -170.2 | -24.3 | 0 | 0 | 113.2 | Q2104 Q2105 Q2106 Q2111 Q2112 | Q2104-Q2108 PolarHBondContact O-N 3.02Å; Q2105-Q2108 PolarHBondContact O-N 2.95Å; Q2106-Q2108 PolarHBondContact O-N 3.45Å; Q2108-Q2111 PolarHBondContact O-N 2.89Å; Q2108-Q2112 PolarHBondContact O-N 2.94Å |
| 2109 | Q | 54.9 | Low | 55 | Low | 134 Ų | 134 | 134.5 Ų | 134.5 | 63% | 0.626 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.1 | -37.7 | 174.1 | -81.8 | -171.9 | -32.7 | 0 | 0 | 112.9 | Q2105 Q2106 Q2112 Q2113 | Q2105-Q2109 PolarHBondContact O-N 3.45Å; Q2106-Q2109 PolarHBondContact O-N 2.94Å; Q2109-Q2112 PolarHBondContact O-N 3.5Å; Q2109-Q2113 PolarHBondContact O-N 3.1Å |
| 2110 | Q | 53 | Low | 53.8 | Low | 134 Ų | 134 | 138.3 Ų | 138.3 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -66.1 | -39.5 | 172.4 | -80.7 | -172.9 | -25.9 | 0 | 0 | 112.2 | Q2106 Q2107 Q2113 Q2114 | Q2106-Q2110 PolarHBondContact O-N 3.42Å; Q2107-Q2110 PolarHBondContact O-N 3.46Å; Q2110-Q2113 PolarHBondContact O-N 3.04Å; Q2110-Q2114 PolarHBondContact O-N 3.17Å |
| 2111 | Q | 56.2 | Low | 52.5 | Low | 132 Ų | 132 | 141.1 Ų | 141.1 | 62% | 0.617 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -65.3 | -36.6 | 173.4 | -77.1 | -172.9 | -17.6 | 0 | 0 | 112.6 | Q2107 Q2108 Q2115 | Q2107-Q2111 WeakPolarHBondContact O-CB 3.17Å; Q2107-Q2111 WeakPolarHBondContact O-CG 3.42Å; Q2107-Q2111 PolarHBondContact O-N 3.16Å; Q2108-Q2111 PolarHBondContact O-N 2.89Å; Q2111-Q2115 WeakPolarHBondContact O-CB 3.25Å; Q2111-Q2115 WeakPolarHBondContact O-CG 3.36Å; Q2111-Q2115 PolarHBondContact O-N 3.25Å |
| 2112 | Q | 54.9 | Low | 51.3 | Low | 135 Ų | 135 | 141.5 Ų | 141.5 | 63% | 0.631 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -69.5 | -37 | 173.5 | -79 | -169.9 | -25.8 | 0 | 0 | 113.1 | Q2108 Q2109 Q2115 Q2116 | Q2108-Q2112 PolarHBondContact O-N 2.94Å; Q2109-Q2112 PolarHBondContact O-N 3.5Å; Q2112-Q2115 PolarHBondContact O-N 3.35Å; Q2112-Q2116 PolarHBondContact O-N 2.89Å |
| 2113 | Q | 51.5 | Low | 50 | Low | 138 Ų | 138 | 143.2 Ų | 143.2 | 65% | 0.645 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68.3 | -38.4 | 173.5 | -79.9 | -171.8 | -26.9 | 0 | 0 | 112.6 | Q2109 Q2110 Q2116 Q2117 | Q2109-Q2113 PolarHBondContact O-N 3.1Å; Q2110-Q2113 PolarHBondContact O-N 3.04Å; Q2113-Q2116 PolarHBondContact O-N 3.18Å; Q2113-Q2117 PolarHBondContact O-N 3.17Å |
| 2114 | Q | 52 | Low | 48.8 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 64% | 0.636 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -67.2 | -37.6 | 173.3 | -77.9 | -172.4 | -23.2 | 0 | 0 | 112.6 | Q2110 Q2117 Q2118 | Q2110-Q2114 PolarHBondContact O-N 3.17Å; Q2114-Q2117 PolarHBondContact O-N 3.33Å; Q2114-Q2118 PolarHBondContact O-N 3.03Å |
| 2115 | Q | 52.5 | Low | 47.5 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 62% | 0.621 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -67.8 | -34.7 | 173.5 | -77.3 | -170.8 | -16.1 | 0 | 0 | 113 | Q2111 Q2112 Q2118 Q2119 | Q2111-Q2115 WeakPolarHBondContact O-CB 3.25Å; Q2111-Q2115 WeakPolarHBondContact O-CG 3.36Å; Q2111-Q2115 PolarHBondContact O-N 3.25Å; Q2112-Q2115 PolarHBondContact O-N 3.35Å; Q2115-Q2118 PolarHBondContact O-N 3.16Å; Q2115-Q2119 PolarHBondContact O-N 3.23Å; Q2115-Q2119 VanDerWaalsContact O-N 3.12Å |
| 2116 | Q | 49 | Very low | 46.2 | Very low | 147 Ų | 147 | 149 Ų | 149 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -70.1 | -32.5 | 173.1 | -78.5 | -169.8 | -21.4 | 0 | 0 | 113.1 | Q2112 Q2113 | Q2112-Q2116 PolarHBondContact O-N 2.89Å; Q2113-Q2116 PolarHBondContact O-N 3.18Å |
| 2117 | Q | 44.9 | Very low | 45.1 | Very low | 157 Ų | 157 | 150.2 Ų | 150.2 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -72.5 | -32.2 | 172.2 | -77.1 | -171.4 | -20.7 | 0 | 0 | 113.2 | Q2113 Q2114 | Q2113-Q2117 PolarHBondContact O-N 3.17Å; Q2114-Q2117 PolarHBondContact O-N 3.33Å |
| 2118 | Q | 44.6 | Very low | 43.9 | Very low | 168 Ų | 168 | 152.5 Ų | 152.5 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -77.4 | -18 | 174.5 | -77 | -170.2 | -16.9 | 0 | 0 | 114.5 | Q2114 Q2115 | Q2114-Q2118 PolarHBondContact O-N 3.03Å; Q2115-Q2118 PolarHBondContact O-N 3.16Å |
| 2119 | Q | 43.1 | Very low | 42.4 | Very low | 176 Ų | 176 | 154.9 Ų | 154.9 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 2.7 | 174.1 | -76.4 | -168.2 | -14.8 | 0 | 0 | 115.1 | Q2115 | Q2115-Q2119 PolarHBondContact O-N 3.23Å; Q2115-Q2119 VanDerWaalsContact O-N 3.12Å |
| 2120 | Q | 38.8 | Very low | 41.6 | Very low | 177 Ų | 177 | 154.1 Ų | 154.1 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 5.7 | 173.3 | -102.6 | -175.4 | 5.5 | 0 | 0 | 115.1 | ||
| 2121 | Q | 32.4 | Very low | 40.5 | Very low | 169 Ų | 169 | 154.9 Ų | 154.9 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -127.9 | 58.7 | 175.2 | -70.6 | -165.4 | -4.8 | 0 | 0 | 113.7 | ||
| 2122 | Q | 35.5 | Very low | 39.2 | Very low | 170 Ų | 170 | 155.6 Ų | 155.6 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -156.7 | 124.9 | 148.5 | -116.8 | 167.2 | 72.2 | 0 | 0 | 113.4 | ||
| 2123 | Q | 32.9 | Very low | 38.1 | Very low | 172 Ų | 172 | 156.8 Ų | 156.8 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | 63.1 | 101.3 | 161.1 | -50.6 | -177.5 | 31.7 | 0 | 0 | 118.3 | ||||
| 2124 | Q | 32.7 | Very low | 37.2 | Very low | 193 Ų | 193 | 158 Ų | 158 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | -154.6 | 163.3 | 93.7 | -96.7 | -169.3 | 6.9 | 0 | 0 | 110.4 | |||||
| 2125 | P | 35.7 | Very low | 36.2 | Very low | 105 Ų | 105 | 158.7 Ų | 158.7 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | trans | -110.8 | 145.9 | -138.1 | 39.5 | -35.9 | 0 | 0 | 0 | 117.8 | ||||
| 2126 | Q | 31.1 | Very low | 35.3 | Very low | 174 Ų | 174 | 160.6 Ų | 160.6 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | 44.7 | 105.5 | 127.7 | -161.3 | -172.1 | 36.3 | 0 | 0 | 119.3 | |||||
| 2127 | Q | 33.5 | Very low | 34.6 | Very low | 156 Ų | 156 | 158 Ų | 158 | 73% | 0.729 | 77% | 0.774 | S | S | * | * | -178.7 | 159.3 | 112.9 | -99.5 | -168.4 | 31.4 | 0 | 0 | 114.5 | |||||
| 2128 | Q | 32.5 | Very low | 34.1 | Very low | 173 Ų | 173 | 155.2 Ų | 155.2 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | 74.2 | 108.9 | 160 | -70.8 | 167.6 | 43.1 | 0 | 0 | 121.3 | ||||
| 2129 | Q | 29.1 | Very low | 34.1 | Very low | 173 Ų | 173 | 152.9 Ų | 152.9 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | trans | -76 | 173.6 | 147.8 | -80.7 | -178.1 | -10.6 | 0 | 0 | 110 | ||||
| 2130 | P | 36.7 | Very low | 34.2 | Very low | 119 Ų | 119 | 149.9 Ų | 149.9 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | cis | -146.3 | -171 | 28.5 | 43.9 | -22.3 | 0 | 0 | 0 | 119 | ||||
| 2131 | H | 31.8 | Very low | 34.1 | Very low | 149 Ų | 149 | 149.9 Ų | 149.9 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | trans | -28.5 | 165.2 | 159.8 | -70.1 | 2.2 | 0 | 0 | 0 | 118.8 | ||||
| 2132 | Q | 28.6 | Very low | 34.3 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | cis | -170.6 | 163.1 | -7.4 | -108.7 | 175.3 | 26.1 | 0 | 0 | 108.3 | ||||
| 2133 | Q | 30.2 | Very low | 34.1 | Very low | 159 Ų | 159 | 147.7 Ų | 147.7 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | 144.5 | 148.5 | 126.7 | -78 | -158.4 | -1.4 | 0 | 0 | 116.4 | |||||
| 2134 | Q | 33.2 | Very low | 34.2 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | 63.3 | 148.7 | 160.2 | -71 | -177.8 | -2.5 | 0 | 0 | 121.1 | ||||
| 2135 | Q | 32.4 | Very low | 34 | Very low | 150 Ų | 150 | 145.8 Ų | 145.8 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | cis | -170.6 | 161.6 | -44.3 | -122.2 | 177.9 | 19.3 | 0 | 0 | 111.2 | ||||
| 2136 | Q | 33.2 | Very low | 33.8 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | 69.5 | 141.2 | 160.9 | -66.9 | 168.8 | 29.3 | 0 | 0 | 117.5 | ||||
| 2137 | A | 33 | Very low | 33.6 | Very low | 93 Ų | 93 | 146.4 Ų | 146.4 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | cis | -146.4 | 134.4 | -1.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 2138 | A | 34.5 | Very low | 33.5 | Very low | 97 Ų | 97 | 144.4 Ų | 144.4 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | 48.1 | 122.8 | 140 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 2139 | P | 45.7 | Very low | 33.3 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -94.9 | -173.6 | 158.5 | 41 | -34.6 | 0 | 0 | 0 | 111.9 | ||||
| 2140 | P | 44.6 | Very low | 33.4 | Very low | 114 Ų | 114 | 147.6 Ų | 147.6 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | -148.2 | 133.8 | 118.5 | 36.5 | -20.1 | 0 | 0 | 0 | 117.8 | |||||
| 2141 | Q | 35.8 | Very low | 33 | Very low | 177 Ų | 177 | 150.7 Ų | 150.7 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | 62.8 | 154.9 | 127.3 | -65.7 | -169.1 | -27.3 | 0 | 0 | 123.9 | |||||
| 2142 | P | 38.6 | Very low | 33 | Very low | 104 Ų | 104 | 155.1 Ų | 155.1 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | cis | -146.2 | -177.3 | -40 | 42.6 | -25.8 | 0 | 0 | 0 | 116.4 | ||||
| 2143 | Q | 31 | Very low | 33 | Very low | 188 Ų | 188 | 157.1 Ų | 157.1 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | trans | 83.8 | 121.7 | 156.3 | -74.3 | -173.2 | -16.5 | 0 | 0 | 121.2 | ||||
| 2144 | P | 33.8 | Very low | 33.1 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | trans | -118.3 | 164.6 | 170.1 | 41.4 | -31.3 | 0 | 0 | 0 | 114.1 | ||||
| 2145 | Q | 30 | Very low | 33 | Very low | 202 Ų | 202 | 152.8 Ų | 152.8 | 94% | 0.944 | 82% | 0.818 | S | S | * | * | trans | -154.9 | 165.4 | 150.1 | -124 | 177.8 | 8.9 | 0 | 0 | 112.1 | ||||
| 2146 | S | 31.1 | Very low | 32.8 | Very low | 103 Ų | 103 | 154.9 Ų | 154.9 | 72% | 0.72 | 83% | 0.828 | S | S | * | * | trans | -142.1 | 127 | -156.3 | 56.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 2147 | Q | 26.1 | Very low | 32.6 | Very low | 189 Ų | 189 | 154.5 Ų | 154.5 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | 59.9 | 166.3 | 153.8 | -74.7 | -171 | -0.6 | 0 | 0 | 119.3 | ||||
| 2148 | P | 32 | Very low | 32.6 | Very low | 113 Ų | 113 | 156.2 Ų | 156.2 | 73% | 0.734 | 83% | 0.828 | S | S | * | * | cis | -121.6 | 167.4 | -23.3 | 28.6 | -10.2 | 0 | 0 | 0 | 113.2 | ||||
| 2149 | Q | 28.4 | Very low | 32.7 | Very low | 197 Ų | 197 | 159.5 Ų | 159.5 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -82.8 | 135.6 | 174.2 | -65.8 | 174.9 | -88.1 | 0 | 0 | 112.4 | ||||
| 2150 | F | 30.3 | Very low | 32.3 | Very low | 217 Ų | 217 | 161 Ų | 161 | 95% | 0.952 | 82% | 0.823 | S | S | * | * | trans | -80.6 | 145.8 | 158.5 | -102.1 | -92.2 | 0 | 0 | 0 | 111 | ||||
| 2151 | Q | 28.9 | Very low | 32 | Very low | 183 Ų | 183 | 163.4 Ų | 163.4 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | trans | -112.6 | 112.1 | -175.5 | -164.8 | 173.9 | 25.2 | 0 | 0 | 110.7 | ||||
| 2152 | R | 30.9 | Very low | 32.3 | Very low | 242 Ų | 242 | 162.5 Ų | 162.5 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | trans | -110.2 | 132.7 | 171.8 | -92.6 | -169.8 | 174.1 | -163.4 | -0.8 | 111.5 | ||||
| 2153 | Q | 30 | Very low | 32.4 | Very low | 191 Ų | 191 | 164.7 Ų | 164.7 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | trans | -131.8 | 140.2 | 155.9 | -69.3 | -176.5 | -11.1 | 0 | 0 | 106.8 | ||||
| 2154 | G | 31.8 | Very low | 33 | Very low | 74 Ų | 74 | 159.7 Ų | 159.7 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | cis | -166.7 | 147 | -9.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 2155 | L | 30.9 | Very low | 33.4 | Very low | 157 Ų | 157 | 155.9 Ų | 155.9 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -81.9 | 141.5 | -178.9 | -87.3 | 74.4 | 0 | 0 | 0 | 111.9 | ||||
| 2156 | Q | 27.8 | Very low | 34.2 | Very low | 195 Ų | 195 | 148.7 Ų | 148.7 | 91% | 0.911 | 76% | 0.758 | S | S | * | * | trans | -143.2 | 58.9 | 157.8 | -164 | 167.7 | 88 | 0 | 0 | 111.6 | ||||
| 2157 | Q | 29.7 | Very low | 34.7 | Very low | 165 Ų | 165 | 148.8 Ų | 148.8 | 77% | 0.771 | 75% | 0.75 | S | S | * | * | trans | -133.3 | 107.6 | 161 | -77.4 | -167.8 | -2.6 | 0 | 0 | 108.7 | ||||
| 2158 | T | 33.2 | Very low | 35.8 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 80% | 0.798 | 73% | 0.731 | S | S | * | * | trans | -149.8 | 66.2 | -179.1 | -40.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2159 | Q | 36 | Very low | 36.6 | Very low | 166 Ų | 166 | 146.2 Ų | 146.2 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -153.1 | -41.1 | 163 | -123.9 | 174.2 | 19.5 | 0 | 0 | 112.9 | Q2161 Q2162 | Q2159-Q2161 PolarHBondContact O-N 3.15Å; Q2159-Q2162 PolarHBondContact O-N 3.42Å |
| 2160 | Q | 37.8 | Very low | 37.2 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 70% | 0.696 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -66 | -36.4 | -175.6 | -156.7 | 167.3 | 12.4 | 0 | 0 | 113.3 | Q2162 Q2163 T2164 | Q2160-Q2162 VanDerWaalsContact C-N 3.31Å; Q2160-Q2162 PolarHBondContact O-N 3.13Å; Q2160-Q2163 PolarHBondContact O-N 2.96Å; Q2160-Q2163 VanDerWaalsContact O-N 3.14Å; Q2160-T2164 PolarHBondContact O-N 2.93Å |
| 2161 | Q | 38.8 | Very low | 37.6 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -67.4 | -25.9 | -176.1 | -152.4 | 174.1 | 31.8 | 0 | 0 | 113.8 | Q2159 A2165 | Q2159-Q2161 PolarHBondContact O-N 3.15Å; Q2161-A2165 WeakPolarHBondContact O-CB 3.39Å; Q2161-A2165 PolarHBondContact O-N 3.46Å; Q2161-A2165 VanDerWaalsContact O-N 3.15Å |
| 2162 | Q | 41.3 | Very low | 38 | Very low | 158 Ų | 158 | 134 Ų | 134 | 74% | 0.738 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -74.3 | -29.9 | 173.8 | -87.3 | -172.9 | -15.2 | 0 | 0 | 112.9 | Q2159 Q2160 A2166 | Q2159-Q2162 PolarHBondContact O-N 3.42Å; Q2160-Q2162 VanDerWaalsContact C-N 3.31Å; Q2160-Q2162 PolarHBondContact O-N 3.13Å; Q2162-A2166 WeakPolarHBondContact O-CB 3.19Å; Q2162-A2166 PolarHBondContact O-N 2.89Å |
| 2163 | Q | 39.8 | Very low | 38.3 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 70% | 0.696 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -70.6 | -41.2 | 175.5 | -72.3 | -175.8 | -25.2 | 0 | 0 | 111.2 | Q2160 A2165 A2166 L2167 | Q2160-Q2163 PolarHBondContact O-N 2.96Å; Q2160-Q2163 VanDerWaalsContact O-N 3.14Å; Q2163-A2165 PolarHBondContact O-N 3.38Å; Q2163-A2166 PolarHBondContact O-N 2.98Å; Q2163-L2167 WeakPolarHBondContact O-CB 3.28Å; Q2163-L2167 PolarHBondContact O-N 3.45Å |
| 2164 | T | 44.4 | Very low | 38.6 | Very low | 84 Ų | 84 | 126.9 Ų | 126.9 | 52% | 0.515 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -62.4 | -43.3 | 172.6 | -44.5 | 0 | 0 | 0 | 0 | 111.6 | Q2160 A2166 L2167 V2168 | Q2160-T2164 PolarHBondContact O-N 2.93Å; T2164-A2166 PolarHBondContact O-N 3.24Å; T2164-L2167 PolarHBondContact O-N 3.37Å; T2164-V2168 HydrophobicContact CG2-CG2 4.45Å; T2164-V2168 WeakPolarHBondContact O-CB 3.2Å; T2164-V2168 WeakPolarHBondContact O-CG2 3.38Å; T2164-V2168 PolarHBondContact O-N 3.26Å |
| 2165 | A | 41.8 | Very low | 38.7 | Very low | 44 Ų | 44 | 130.1 Ų | 130.1 | 36% | 0.364 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -71.1 | -10.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q2161 Q2163 R2169 | Q2161-A2165 WeakPolarHBondContact O-CB 3.39Å; Q2161-A2165 PolarHBondContact O-N 3.46Å; Q2161-A2165 VanDerWaalsContact O-N 3.15Å; Q2163-A2165 PolarHBondContact O-N 3.38Å; A2165-R2169 PolarHBondContact O-NE 2.97Å; A2165-R2169 PolarHBondContact O-NH2 3.02Å |
| 2166 | A | 46.4 | Very low | 38.7 | Very low | 51 Ų | 51 | 126 Ų | 126 | 42% | 0.421 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -90.5 | -45.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q2162 Q2163 T2164 V2168 R2169 Q2170 | Q2162-A2166 WeakPolarHBondContact O-CB 3.19Å; Q2162-A2166 PolarHBondContact O-N 2.89Å; Q2163-A2166 PolarHBondContact O-N 2.98Å; T2164-A2166 PolarHBondContact O-N 3.24Å; A2166-V2168 PolarHBondContact O-N 2.97Å; A2166-R2169 CarbonylContact O-C 3.57Å; A2166-R2169 PolarHBondContact O-N 2.94Å; A2166-R2169 VanDerWaalsContact O-N 3.13Å; A2166-Q2170 WeakPolarHBondContact O-CB 3.35Å; A2166-Q2170 PolarHBondContact O-N 3.13Å |
| 2167 | L | 42.8 | Very low | 38.6 | Very low | 105 Ų | 105 | 123.6 Ų | 123.6 | 55% | 0.55 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -61.7 | -40.8 | 178.8 | -168 | 70.8 | 0 | 0 | 0 | 112.2 | Q2163 T2164 Q2170 L2171 | Q2163-L2167 WeakPolarHBondContact O-CB 3.28Å; Q2163-L2167 PolarHBondContact O-N 3.45Å; T2164-L2167 PolarHBondContact O-N 3.37Å; L2167-Q2170 PolarHBondContact O-N 2.89Å; L2167-L2171 HydrophobicContact CG-CD1 4.41Å; L2167-L2171 WeakPolarHBondContact O-CB 3.47Å; L2167-L2171 PolarHBondContact O-N 2.97Å |
| 2168 | V | 49.3 | Very low | 38.6 | Very low | 79 Ų | 79 | 122 Ų | 122 | 48% | 0.479 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -62.3 | -42.7 | 173.4 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | T2164 A2166 Q2170 L2171 Q2172 | T2164-V2168 HydrophobicContact CG2-CG2 4.45Å; T2164-V2168 WeakPolarHBondContact O-CB 3.2Å; T2164-V2168 WeakPolarHBondContact O-CG2 3.38Å; T2164-V2168 PolarHBondContact O-N 3.26Å; A2166-V2168 PolarHBondContact O-N 2.97Å; V2168-Q2170 VanDerWaalsContact C-N 3.33Å; V2168-Q2170 PolarHBondContact O-N 3.31Å; V2168-L2171 PolarHBondContact O-N 2.85Å; V2168-Q2172 VanDerWaalsContact O-CB 3.25Å; V2168-Q2172 WeakPolarHBondContact O-CB 3.42Å; V2168-Q2172 PolarHBondContact O-N 3.44Å |
| 2169 | R | 47.8 | Very low | 38.3 | Very low | 168 Ų | 168 | 123.5 Ų | 123.5 | 63% | 0.634 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.9 | -32.9 | 175.1 | -89.5 | -178 | -77.7 | -172.5 | -7.8 | 112.9 | A2165 A2166 Q2173 | A2165-R2169 PolarHBondContact O-NE 2.97Å; A2165-R2169 PolarHBondContact O-NH2 3.02Å; A2166-R2169 CarbonylContact O-C 3.57Å; A2166-R2169 PolarHBondContact O-N 2.94Å; A2166-R2169 VanDerWaalsContact O-N 3.13Å; R2169-Q2173 WeakPolarHBondContact O-CG 3.45Å; R2169-Q2173 PolarHBondContact O-N 3.3Å |
| 2170 | Q | 41.9 | Very low | 37.9 | Very low | 114 Ų | 114 | 121 Ų | 121 | 53% | 0.533 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -72.6 | -41.5 | 177 | -168.6 | 170.6 | -0.6 | 0 | 0 | 111.8 | A2166 L2167 V2168 Q2173 Q2174 | A2166-Q2170 WeakPolarHBondContact O-CB 3.35Å; A2166-Q2170 PolarHBondContact O-N 3.13Å; L2167-Q2170 PolarHBondContact O-N 2.89Å; V2168-Q2170 VanDerWaalsContact C-N 3.33Å; V2168-Q2170 PolarHBondContact O-N 3.31Å; Q2170-Q2173 PolarHBondContact O-N 3.43Å; Q2170-Q2174 PolarHBondContact O-N 3.3Å |
| 2171 | L | 39.1 | Very low | 37.5 | Very low | 91 Ų | 91 | 122.5 Ų | 122.5 | 48% | 0.476 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -61 | -43.3 | 169.9 | -84.2 | 160.6 | 0 | 0 | 0 | 111.6 | L2167 V2168 Q2173 Q2174 L2175 | L2167-L2171 HydrophobicContact CG-CD1 4.41Å; L2167-L2171 WeakPolarHBondContact O-CB 3.47Å; L2167-L2171 PolarHBondContact O-N 2.97Å; V2168-L2171 PolarHBondContact O-N 2.85Å; L2171-Q2173 VanDerWaalsContact C-N 3.27Å; L2171-Q2173 PolarHBondContact O-N 3.29Å; L2171-Q2174 PolarHBondContact O-N 2.71Å; L2171-Q2174 VanDerWaalsContact O-N 3.14Å; L2171-L2175 WeakPolarHBondContact O-CG 3.45Å; L2171-L2175 PolarHBondContact O-N 2.66Å |
| 2172 | Q | 37 | Very low | 36.9 | Very low | 137 Ų | 137 | 119.8 Ų | 119.8 | 64% | 0.64 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.3 | -21.4 | 179.7 | -160.6 | 157.5 | 34.6 | 0 | 0 | 113.3 | V2168 | V2168-Q2172 VanDerWaalsContact O-CB 3.25Å; V2168-Q2172 WeakPolarHBondContact O-CB 3.42Å; V2168-Q2172 PolarHBondContact O-N 3.44Å |
| 2173 | Q | 36.5 | Very low | 36.2 | Very low | 139 Ų | 139 | 117.6 Ų | 117.6 | 65% | 0.65 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -83.4 | -31 | 167.2 | -76.8 | -178.2 | -25.5 | 0 | 0 | 113.4 | R2169 Q2170 L2171 L2175 S2176 | R2169-Q2173 WeakPolarHBondContact O-CG 3.45Å; R2169-Q2173 PolarHBondContact O-N 3.3Å; Q2170-Q2173 PolarHBondContact O-N 3.43Å; L2171-Q2173 VanDerWaalsContact C-N 3.27Å; L2171-Q2173 PolarHBondContact O-N 3.29Å; Q2173-L2175 VanDerWaalsContact C-N 3.33Å; Q2173-S2176 PolarHBondContact O-N 3.39Å; Q2173-S2176 PolarHBondContact O-OG 2.8Å |
| 2174 | Q | 37 | Very low | 35.6 | Very low | 143 Ų | 143 | 117.4 Ų | 117.4 | 67% | 0.668 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.7 | -26.6 | 174.9 | -74.5 | -169.6 | -46.1 | 0 | 0 | 112.7 | Q2170 L2171 S2176 | Q2170-Q2174 PolarHBondContact O-N 3.3Å; L2171-Q2174 PolarHBondContact O-N 2.71Å; L2171-Q2174 VanDerWaalsContact O-N 3.14Å; Q2174-S2176 VanDerWaalsContact C-N 3.3Å |
| 2175 | L | 33.4 | Very low | 34.8 | Very low | 143 Ų | 143 | 119.8 Ų | 119.8 | 75% | 0.749 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -4.9 | 172.2 | -71.5 | 167.8 | 0 | 0 | 0 | 114.3 | L2171 Q2173 | L2171-L2175 WeakPolarHBondContact O-CG 3.45Å; L2171-L2175 PolarHBondContact O-N 2.66Å; Q2173-L2175 VanDerWaalsContact C-N 3.33Å |
| 2176 | S | 30.3 | Very low | 34.3 | Very low | 71 Ų | 71 | 125.2 Ų | 125.2 | 50% | 0.497 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.6 | 9.8 | -175.2 | 71.8 | 0 | 0 | 0 | 0 | 115.4 | Q2173 Q2174 | Q2173-S2176 PolarHBondContact O-N 3.39Å; Q2173-S2176 PolarHBondContact O-OG 2.8Å; Q2174-S2176 VanDerWaalsContact C-N 3.3Å |
| 2177 | N | 27.4 | Very low | 33.6 | Very low | 144 Ų | 144 | 130 Ų | 130 | 77% | 0.77 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -109.4 | 13.3 | -172.4 | -95.8 | 5.7 | 0 | 0 | 0 | 115.6 | ||
| 2178 | T | 29.4 | Very low | 32.8 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 81% | 0.81 | 69% | 0.692 | S | S | * | * | trans | -119.1 | 59.8 | 172.1 | 30.4 | 0 | 0 | 0 | 0 | 111.1 | P2180 | T2178-P2180 WeakPolarHBondContact O-CD 3.48Š| ||
| 2179 | Q | 26 | Very low | 31.7 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | -105.8 | 106.4 | 179 | -173.6 | 174.5 | 44.9 | 0 | 0 | 111.2 | ||||
| 2180 | P | 27.8 | Very low | 31 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | trans | -67.2 | 156.1 | 159 | 30.8 | -33.3 | 0 | 0 | 0 | 109.9 | T2178 | T2178-P2180 WeakPolarHBondContact O-CD 3.48Š| ||
| 2181 | Q | 29.3 | Very low | 30.5 | Very low | 181 Ų | 181 | 136.9 Ų | 136.9 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | trans | -61.8 | 144.1 | -168.6 | -68.1 | -173.5 | -7.5 | 0 | 0 | 113.8 | S2183 | Q2181-S2183 PolarHBondContact O-N 3.09Å; Q2181-S2183 VanDerWaalsContact O-N 3.1Å | ||
| 2182 | P | 27.4 | Very low | 30 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | trans | -77.8 | 92.2 | 172.7 | 32.3 | -33.5 | 0 | 0 | 0 | 110.8 | ||||
| 2183 | S | 26.2 | Very low | 29.6 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | trans | -70.8 | 125.4 | 160.9 | 44.1 | 0 | 0 | 0 | 0 | 109.5 | Q2181 N2185 | Q2181-S2183 PolarHBondContact O-N 3.09Å; Q2181-S2183 VanDerWaalsContact O-N 3.1Å; S2183-N2185 PolarHBondContact O-N 3.39Å | ||
| 2184 | T | 26.5 | Very low | 29.2 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | trans | -75.7 | 91.1 | -178.1 | 47.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2185 | N | 28.4 | Very low | 28.7 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | -151 | 130.3 | 160.8 | -147 | -11 | 0 | 0 | 0 | 110.9 | S2183 F2187 | S2183-N2185 PolarHBondContact O-N 3.39Å; N2185-F2187 PolarHBondContact O-N 3.27Å | ||
| 2186 | I | 30.4 | Very low | 28.4 | Very low | 158 Ų | 158 | 139 Ų | 139 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -12.7 | -163.4 | -75.8 | 174.9 | 0 | 0 | 0 | 113.8 | ||
| 2187 | F | 32.3 | Very low | 28.3 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 67% | 0.667 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 12.3 | -176.8 | -68.7 | -85.5 | 0 | 0 | 0 | 114.8 | N2185 R2189 | N2185-F2187 PolarHBondContact O-N 3.27Å; F2187-R2189 VanDerWaalsContact C-N 3.3Å; F2187-R2189 PolarHBondContact O-N 3.31Å; F2187-R2189 VanDerWaalsContact O-N 3.15Å |
| 2188 | G | 25.7 | Very low | 28.4 | Very low | 70 Ų | 70 | 143.8 Ų | 143.8 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | -80.1 | 20 | -171.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2189 | R | 26.3 | Very low | 28.3 | Very low | 241 Ų | 241 | 144.8 Ų | 144.8 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | trans | -142.6 | 59.9 | 174.2 | -87.5 | -163.4 | 173.9 | -161 | -0.7 | 111.2 | F2187 | F2187-R2189 VanDerWaalsContact C-N 3.3Å; F2187-R2189 PolarHBondContact O-N 3.31Å; F2187-R2189 VanDerWaalsContact O-N 3.15Å | ||
| 2190 | Y | 33.1 | Very low | 28.5 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 64% | 0.635 | 77% | 0.766 | S | S | * | * | trans | -138.5 | 0 | 165.5 | -69.8 | -74.2 | 0 | 0 | 0 | 108.4 | D1310 | D1310-Y2190 PolarHBondContact OD2-OH 3.13Š|
Retrieved 2,190 of 2,190 residues in 1140.7 ms
(Link to these results)