| 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 | 54.6 | Low | 71.3 | Confident | 201 Ų | 201 | 108 Ų | 108 | 99% | 0.99 | 55% | 0.547 | S | S | * | . | 0 | 113.1 | 0 | -69.3 | -68.1 | -85.2 | 0 | 0 | 108 | |||||
| 2 | T | 70.6 | Confident | 71.2 | Confident | 96 Ų | 96 | 111.8 Ų | 111.8 | 59% | 0.589 | 56% | 0.562 | S | S | * | * | trans | -73.7 | 147.1 | 177.6 | 51.9 | 0 | 0 | 0 | 0 | 109.9 | A4 A5 Y6 | T2-A4 PolarHBondContact O-N 3.07Å; T2-A4 VanDerWaalsContact O-N 3.13Å; T2-A5 WeakPolarHBondContact O-CB 3.43Å; T2-A5 PolarHBondContact O-N 3.4Å; T2-A5 WeakPolarHBondContact OG1-CB 3.48Å; T2-A5 PolarHBondContact OG1-N 3.08Å; T2-Y6 PolarHBondContact O-N 3.47Å; T2-Y6 VanDerWaalsContact O-N 3.14Å | ||
| 3 | L | 72.2 | Confident | 71.1 | Confident | 160 Ų | 160 | 110.6 Ų | 110.6 | 84% | 0.838 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -54.6 | -32.5 | 176.9 | -73.9 | 173 | 0 | 0 | 0 | 112.2 | Y6 K7 | L3-Y6 PolarHBondContact O-N 3.36Å; L3-K7 PolarHBondContact O-N 2.79Å |
| 4 | A | 74 | Confident | 70.9 | Confident | 69 Ų | 69 | 110.9 Ų | 110.9 | 57% | 0.57 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.2 | -45.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T2 Y6 K7 E8 | T2-A4 PolarHBondContact O-N 3.07Å; T2-A4 VanDerWaalsContact O-N 3.13Å; A4-Y6 VanDerWaalsContact C-N 3.33Å; A4-Y6 PolarHBondContact O-N 3.23Å; A4-K7 PolarHBondContact O-N 2.94Å; A4-E8 PolarHBondContact O-N 3.14Å; A4-E8 VanDerWaalsContact O-N 3.12Å |
| 5 | A | 75 | Confident | 70.7 | Confident | 39 Ų | 39 | 110.9 Ų | 110.9 | 32% | 0.322 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.1 | -33.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T2 K9 | T2-A5 WeakPolarHBondContact O-CB 3.43Å; T2-A5 PolarHBondContact O-N 3.4Å; T2-A5 WeakPolarHBondContact OG1-CB 3.48Å; T2-A5 PolarHBondContact OG1-N 3.08Å; A5-K9 WeakPolarHBondContact O-CG 3.49Å; A5-K9 PolarHBondContact O-N 2.94Å; A5-K9 VanDerWaalsContact O-N 3.14Å |
| 6 | Y | 73.7 | Confident | 70.4 | Confident | 134 Ų | 134 | 106 Ų | 106 | 53% | 0.525 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68 | -40.2 | 173.9 | -177.4 | -102.3 | 0 | 0 | 0 | 112.2 | T2 L3 A4 K9 M10 | T2-Y6 PolarHBondContact O-N 3.47Å; T2-Y6 VanDerWaalsContact O-N 3.14Å; L3-Y6 PolarHBondContact O-N 3.36Å; A4-Y6 VanDerWaalsContact C-N 3.33Å; A4-Y6 PolarHBondContact O-N 3.23Å; Y6-K9 PolarHBondContact O-N 3.5Å; Y6-M10 HydrophobicContact CD1-CG 4.34Å; Y6-M10 HydrophobicContact CE1-CE 3.59Å; Y6-M10 HydrophobicContact CE1-CG 4.11Å; Y6-M10 HydrophobicContact CE2-CE 4.03Å; Y6-M10 WeakPolarHBondContact O-CG 3.49Å; Y6-M10 PolarHBondContact O-N 3.09Å; Y6-M10 WeakPolarHBondContact OH-CE 3.3Å |
| 7 | K | 74.2 | Confident | 69.9 | Low | 100 Ų | 100 | 103.8 Ų | 103.8 | 44% | 0.435 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 176.7 | -169.6 | 180 | -178.9 | -177.3 | 0 | 112.2 | L3 A4 M10 K11 F23 | L3-K7 PolarHBondContact O-N 2.79Å; A4-K7 PolarHBondContact O-N 2.94Å; K7-M10 PolarHBondContact O-N 3.19Å; K7-K11 PolarHBondContact O-N 3.33Å; K7-F23 HydrophobicContact CG-CD1 4.45Å |
| 8 | E | 73.6 | Confident | 69.8 | Low | 101 Ų | 101 | 105.6 Ų | 105.6 | 47% | 0.472 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.6 | -44.9 | 175.8 | -74.7 | -62 | 121.5 | 0 | 0 | 111.7 | A4 M10 K11 | A4-E8 PolarHBondContact O-N 3.14Å; A4-E8 VanDerWaalsContact O-N 3.12Å; E8-M10 PolarHBondContact O-N 3.32Å; E8-K11 PolarHBondContact O-N 3.2Å; E8-K11 VanDerWaalsContact O-N 3.1Å; E8-K11 IonicContact OE1-NZ 2.76Å; E8-K11 PolarHBondContact OE1-NZ 3.31Å |
| 9 | K | 73.3 | Confident | 69.5 | Low | 150 Ų | 150 | 109.2 Ų | 109.2 | 65% | 0.652 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59.7 | -31.6 | 174.9 | -80.7 | -79.8 | -179.1 | 180 | 0 | 113.8 | A5 Y6 | A5-K9 WeakPolarHBondContact O-CG 3.49Å; A5-K9 PolarHBondContact O-N 2.94Å; A5-K9 VanDerWaalsContact O-N 3.14Å; Y6-K9 PolarHBondContact O-N 3.5Å |
| 10 | M | 72 | Confident | 69.2 | Low | 48 Ų | 48 | 105.8 Ų | 105.8 | 24% | 0.236 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -72.1 | -27.5 | 177.2 | -80.8 | -80.5 | -166.8 | 0 | 0 | 113.3 | Y6 K7 E8 E12 L13 V16 | Y6-M10 HydrophobicContact CD1-CG 4.34Å; Y6-M10 HydrophobicContact CE1-CE 3.59Å; Y6-M10 HydrophobicContact CE1-CG 4.11Å; Y6-M10 HydrophobicContact CE2-CE 4.03Å; Y6-M10 WeakPolarHBondContact O-CG 3.49Å; Y6-M10 PolarHBondContact O-N 3.09Å; Y6-M10 WeakPolarHBondContact OH-CE 3.3Å; K7-M10 PolarHBondContact O-N 3.19Å; E8-M10 PolarHBondContact O-N 3.32Å; M10-E12 VanDerWaalsContact C-N 3.31Å; M10-L13 HydrophobicContact SD-CD1 4.4Å; M10-V16 WeakPolarHBondContact O-CB 3.36Å; M10-V16 WeakPolarHBondContact O-CG1 3.46Å; M10-V16 WeakPolarHBondContact O-CG2 3.42Å |
| 11 | K | 71.3 | Confident | 69 | Low | 90 Ų | 90 | 106 Ų | 106 | 39% | 0.391 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73.8 | -22.7 | 177.7 | -68.2 | 173.7 | 179.8 | 175.9 | 0 | 113.2 | K7 E8 L13 | K7-K11 PolarHBondContact O-N 3.33Å; E8-K11 PolarHBondContact O-N 3.2Å; E8-K11 VanDerWaalsContact O-N 3.1Å; E8-K11 IonicContact OE1-NZ 2.76Å; E8-K11 PolarHBondContact OE1-NZ 3.31Å; K11-L13 VanDerWaalsContact C-N 3.3Å; K11-L13 PolarHBondContact O-N 3.08Å |
| 12 | E | 70 | Confident | 69.7 | Low | 154 Ų | 154 | 101 Ų | 101 | 72% | 0.72 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -10.1 | -179.7 | -64.6 | -75.7 | 155.2 | 0 | 0 | 113.5 | M10 | M10-E12 VanDerWaalsContact C-N 3.31Š|
| 13 | L | 69.5 | Low | 69.2 | Low | 96 Ų | 96 | 100 Ų | 100 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -82.6 | 125.5 | 179.5 | -75.8 | 165.7 | 0 | 0 | 0 | 110.3 | M10 K11 L15 V16 | M10-L13 HydrophobicContact SD-CD1 4.4Å; K11-L13 VanDerWaalsContact C-N 3.3Å; K11-L13 PolarHBondContact O-N 3.08Å; L13-L15 PolarHBondContact O-N 2.9Å; L13-V16 HydrophobicContact CB-CB 4.43Å; L13-V16 HydrophobicContact CB-CG2 3.67Å; L13-V16 HydrophobicContact CD1-CG2 4.09Å; L13-V16 PolarHBondContact O-N 2.89Å |
| 14 | P | 68.3 | Low | 68.4 | Low | 115 Ų | 115 | 97.7 Ų | 97.7 | 75% | 0.747 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 6 | -169.1 | 22.7 | -32.1 | 0 | 0 | 0 | 116 | ||
| 15 | L | 68.9 | Low | 67.5 | Low | 110 Ų | 110 | 98.2 Ų | 98.2 | 58% | 0.576 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.3 | -7.9 | -177.8 | -63.8 | 172.8 | 0 | 0 | 0 | 114.1 | L13 S17 L18 F19 | L13-L15 PolarHBondContact O-N 2.9Å; L15-S17 PolarHBondContact O-N 3.44Å; L15-L18 PolarHBondContact O-N 2.81Å; L15-L18 VanDerWaalsContact O-N 3.14Å; L15-F19 VanDerWaalsContact O-CD2 3.31Å; L15-F19 WeakPolarHBondContact O-CD2 3.39Å |
| 16 | V | 65.4 | Low | 66.5 | Low | 33 Ų | 33 | 102.3 Ų | 102.3 | 20% | 0.2 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -69.5 | -25.7 | -176.7 | 169.3 | 0 | 0 | 0 | 0 | 112 | M10 L13 L18 F19 | M10-V16 WeakPolarHBondContact O-CB 3.36Å; M10-V16 WeakPolarHBondContact O-CG1 3.46Å; M10-V16 WeakPolarHBondContact O-CG2 3.42Å; L13-V16 HydrophobicContact CB-CB 4.43Å; L13-V16 HydrophobicContact CB-CG2 3.67Å; L13-V16 HydrophobicContact CD1-CG2 4.09Å; L13-V16 PolarHBondContact O-N 2.89Å; V16-L18 PolarHBondContact O-N 3.14Å; V16-F19 PolarHBondContact O-N 2.96Å |
| 17 | S | 62.2 | Low | 65.6 | Low | 68 Ų | 68 | 101.4 Ų | 101.4 | 48% | 0.476 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.7 | -21.9 | 172.9 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | L15 | L15-S17 PolarHBondContact O-N 3.44Å |
| 18 | L | 66.8 | Low | 64.2 | Low | 136 Ų | 136 | 104.3 Ų | 104.3 | 71% | 0.712 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -84.3 | -27.2 | -179.2 | -111 | 86.9 | 0 | 0 | 0 | 113.6 | L15 V16 | L15-L18 PolarHBondContact O-N 2.81Å; L15-L18 VanDerWaalsContact O-N 3.14Å; V16-L18 PolarHBondContact O-N 3.14Å |
| 19 | F | 65.7 | Low | 62.9 | Low | 174 Ų | 174 | 105.9 Ų | 105.9 | 76% | 0.763 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -100.4 | -12.3 | -168.7 | -70.6 | -75.3 | 0 | 0 | 0 | 114.6 | L15 V16 | L15-F19 VanDerWaalsContact O-CD2 3.31Å; L15-F19 WeakPolarHBondContact O-CD2 3.39Å; V16-F19 PolarHBondContact O-N 2.96Å |
| 20 | C | 63.5 | Low | 61.2 | Low | 41 Ų | 41 | 108.7 Ų | 108.7 | 28% | 0.277 | 59% | 0.594 | S | S | . | * | trans | -156.4 | 109.5 | -175.9 | -166.3 | 0 | 0 | 0 | 0 | 113.3 | C22 F23 | C20-C22 PolarHBondContact O-N 3.02Å; C20-C22 VanDerWaalsContact O-N 3.1Å; C20-C22 VanDerWaalsContact SG-CB 3.5Å; C20-F23 HydrophobicContact CB-CD2 3.7Å; C20-F23 HydrophobicContact CB-CE2 4.18Å; C20-F23 PolarHBondContact O-N 3.46Å | ||
| 21 | S | 64.7 | Low | 60 | Low | 111 Ų | 111 | 110.8 Ų | 110.8 | 78% | 0.776 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -15.6 | 171.9 | 43.7 | 0 | 0 | 0 | 0 | 113.8 | F23 | S21-F23 VanDerWaalsContact C-N 3.35Å; S21-F23 PolarHBondContact O-N 3.27Å |
| 22 | C | 68 | Low | 58.5 | Low | 95 Ų | 95 | 112 Ų | 112 | 64% | 0.642 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -19.2 | -179.6 | -53.1 | 0 | 0 | 0 | 0 | 114 | C20 | C20-C22 PolarHBondContact O-N 3.02Å; C20-C22 VanDerWaalsContact O-N 3.1Å; C20-C22 VanDerWaalsContact SG-CB 3.5Å |
| 23 | F | 60.1 | Low | 57.2 | Low | 77 Ų | 77 | 114.2 Ų | 114.2 | 34% | 0.338 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -90.1 | -16.2 | -175 | -78.6 | -88.7 | 0 | 0 | 0 | 114.4 | K7 C20 S21 | K7-F23 HydrophobicContact CG-CD1 4.45Å; C20-F23 HydrophobicContact CB-CD2 3.7Å; C20-F23 HydrophobicContact CB-CE2 4.18Å; C20-F23 PolarHBondContact O-N 3.46Å; S21-F23 VanDerWaalsContact C-N 3.35Å; S21-F23 PolarHBondContact O-N 3.27Å |
| 24 | L | 56.8 | Low | 55.7 | Low | 111 Ų | 111 | 118.7 Ų | 118.7 | 58% | 0.581 | 65% | 0.652 | S | S | * | * | trans | -102.4 | 11.2 | -175.7 | -83.8 | 162.9 | 0 | 0 | 0 | 114.4 | D26 | L24-D26 PolarHBondContact O-N 3.43Š| ||
| 25 | A | 55.4 | Low | 54.4 | Low | 79 Ų | 79 | 122.9 Ų | 122.9 | 65% | 0.653 | 65% | 0.654 | S | S | * | * | trans | -71.3 | 80.2 | 173 | 0 | 0 | 0 | 0 | 0 | 109.9 | P27 | A25-P27 WeakPolarHBondContact O-CD 3.45Š| ||
| 26 | D | 53.9 | Low | 53.1 | Low | 126 Ų | 126 | 126.2 Ų | 126.2 | 67% | 0.674 | 67% | 0.667 | S | S | * | * | trans | -67.1 | 120.5 | 169.1 | -105.5 | -26.6 | 0 | 0 | 0 | 109 | L24 L28 | L24-D26 PolarHBondContact O-N 3.43Å; D26-L28 PolarHBondContact O-N 2.82Å | ||
| 27 | P | 53.8 | Low | 51.8 | Low | 115 Ų | 115 | 127.8 Ų | 127.8 | 75% | 0.747 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -72 | 6.6 | -178.9 | -13.2 | 28.1 | 0 | 0 | 0 | 114.2 | A25 | A25-P27 WeakPolarHBondContact O-CD 3.45Š|
| 28 | L | 44.6 | Very low | 50.4 | Low | 161 Ų | 161 | 137 Ų | 137 | 84% | 0.843 | 72% | 0.715 | S | S | * | * | trans | -130.7 | 44.6 | -157.5 | -95.6 | 152 | 0 | 0 | 0 | 113.6 | D26 | D26-L28 PolarHBondContact O-N 2.82Š| ||
| 29 | N | 45.8 | Very low | 49.2 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 72% | 0.717 | 71% | 0.71 | S | S | * | * | trans | -154.6 | 76.7 | 155.5 | -156.8 | -33.1 | 0 | 0 | 0 | 111.4 | S31 | N29-S31 PolarHBondContact O-N 3.04Å; N29-S31 VanDerWaalsContact O-N 3.09Å; N29-S31 PolarHBondContact OD1-N 2.97Å | ||
| 30 | K | 38.6 | Very low | 47.9 | Very low | 209 Ų | 209 | 130.9 Ų | 130.9 | 91% | 0.909 | 72% | 0.717 | S | S | * | * | trans | -79.2 | 76.5 | 165.7 | -77.2 | 178.1 | -179.8 | 174 | 0 | 108.9 | S32 | K30-S32 PolarHBondContact O-N 3.44Š| ||
| 31 | S | 47 | Very low | 46.8 | Very low | 92 Ų | 92 | 138.7 Ų | 138.7 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | trans | -73 | 121.8 | 155.6 | 56.3 | 0 | 0 | 0 | 0 | 107.6 | N29 Y33 | N29-S31 PolarHBondContact O-N 3.04Å; N29-S31 VanDerWaalsContact O-N 3.09Å; N29-S31 PolarHBondContact OD1-N 2.97Å; S31-Y33 VanDerWaalsContact C-N 3.28Å; S31-Y33 PolarHBondContact O-N 3.26Å | ||
| 32 | S | 39 | Very low | 45.8 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | -68.2 | 85 | 178.7 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | K30 | K30-S32 PolarHBondContact O-N 3.44Š| ||
| 33 | Y | 43.9 | Very low | 44.6 | Very low | 201 Ų | 201 | 143 Ų | 143 | 79% | 0.788 | 75% | 0.751 | S | S | * | * | trans | -92.6 | 103.7 | 162.5 | -157.8 | -96.6 | 0 | 0 | 0 | 107.8 | S31 Y35 | S31-Y33 VanDerWaalsContact C-N 3.28Å; S31-Y33 PolarHBondContact O-N 3.26Å; Y33-Y35 HydrophobicContact CE1-CD2 4.44Å; Y33-Y35 PolarHBondContact O-N 3.36Å | ||
| 34 | K | 37.5 | Very low | 43.9 | Very low | 191 Ų | 191 | 150 Ų | 150 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | -67 | 96.8 | 171.7 | -81.4 | -179.6 | 175.2 | 177.8 | 0 | 108.4 | ||||
| 35 | Y | 40.7 | Very low | 43.3 | Very low | 202 Ų | 202 | 156.1 Ų | 156.1 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -98.6 | 119.2 | 159.5 | -157.3 | -96.8 | 0 | 0 | 0 | 107.3 | Y33 G37 | Y33-Y35 HydrophobicContact CE1-CD2 4.44Å; Y33-Y35 PolarHBondContact O-N 3.36Å; Y35-G37 PolarHBondContact O-N 2.89Å | ||
| 36 | E | 41.5 | Very low | 42.7 | Very low | 180 Ų | 180 | 161.3 Ų | 161.3 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | -66.1 | 104.6 | 179.1 | -67.5 | -171.8 | 161.4 | 0 | 0 | 109.6 | ||||
| 37 | G | 38 | Very low | 42.2 | Very low | 67 Ų | 67 | 161.6 Ų | 161.6 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | -75.1 | 121.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y35 C39 | Y35-G37 PolarHBondContact O-N 2.89Å; G37-C39 VanDerWaalsContact C-N 3.34Å; G37-C39 PolarHBondContact O-N 3.14Å | ||
| 38 | W | 33.5 | Very low | 41.8 | Very low | 262 Ų | 262 | 165.7 Ų | 165.7 | 99% | 0.992 | 81% | 0.81 | S | S | * | * | trans | -83.6 | 82 | 153.2 | -85.6 | 60.1 | 0 | 0 | 0 | 108.6 | ||||
| 39 | C | 42 | Very low | 42.1 | Very low | 91 Ų | 91 | 163.1 Ų | 163.1 | 62% | 0.615 | 81% | 0.805 | S | S | * | * | trans | -142.6 | 79.4 | 161.7 | -161.3 | 0 | 0 | 0 | 0 | 107.9 | G37 R41 | G37-C39 VanDerWaalsContact C-N 3.34Å; G37-C39 PolarHBondContact O-N 3.14Å; C39-R41 PolarHBondContact O-N 3.05Å | ||
| 40 | G | 37.7 | Very low | 42.2 | Very low | 89 Ų | 89 | 163.5 Ų | 163.5 | 92% | 0.918 | 80% | 0.802 | S | S | * | * | trans | -68.8 | 79.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 41 | R | 39.7 | Very low | 42.7 | Very low | 206 Ų | 206 | 164.7 Ų | 164.7 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | -115.9 | 72.7 | 165.2 | -132.9 | -172.9 | -58.9 | -105.8 | 0.4 | 107.8 | C39 C43 | C39-R41 PolarHBondContact O-N 3.05Å; R41-C43 PolarHBondContact O-N 3Å | ||
| 42 | Q | 44.9 | Very low | 43 | Very low | 176 Ų | 176 | 169.2 Ų | 169.2 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -89.3 | 85 | 171.1 | -160.3 | 161 | 50.6 | 0 | 0 | 109 | R44 | Q42-R44 HydrophobicContact CG-CB 4.49Å; Q42-R44 PolarHBondContact O-N 2.85Å; Q42-R44 VanDerWaalsContact O-N 3.17Å | ||
| 43 | C | 41.9 | Very low | 43.6 | Very low | 120 Ų | 120 | 167.1 Ų | 167.1 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -65.6 | 101.5 | 155.7 | -66.7 | 0 | 0 | 0 | 0 | 108 | R41 | R41-C43 PolarHBondContact O-N 3Š| ||
| 44 | R | 46.3 | Very low | 44 | Very low | 223 Ų | 223 | 160.6 Ų | 160.6 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | -150.5 | 130.3 | 161 | -131.8 | 177.5 | -162.3 | 173.9 | 4.5 | 111.1 | Q42 | Q42-R44 HydrophobicContact CG-CB 4.49Å; Q42-R44 PolarHBondContact O-N 2.85Å; Q42-R44 VanDerWaalsContact O-N 3.17Å | ||
| 45 | R | 42.7 | Very low | 44.8 | Very low | 240 Ų | 240 | 154.3 Ų | 154.3 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | trans | -66.3 | 154.8 | -171.3 | -55.1 | -179.8 | -174.4 | 164 | 0.1 | 113.8 | ||||
| 46 | K | 44.6 | Very low | 46.1 | Very low | 189 Ų | 189 | 147.6 Ų | 147.6 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | trans | 118.5 | 127.5 | 170.3 | -80.7 | -178 | 166.8 | -175.3 | 0 | 110.4 | ||||
| 47 | D | 41.7 | Very low | 47 | Very low | 132 Ų | 132 | 146.7 Ų | 146.7 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | cis | -148.5 | 158.3 | 18.2 | -79.1 | -48.7 | 0 | 0 | 0 | 110.3 | S49 | D47-S49 PolarHBondContact O-N 3.17Š| ||
| 48 | E | 46.9 | Very low | 48.2 | Very low | 201 Ų | 201 | 151.8 Ų | 151.8 | 94% | 0.939 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 20.5 | -176.8 | -75.2 | 176.4 | 134.7 | 0 | 0 | 116.3 | ||
| 49 | S | 49.7 | Very low | 49.4 | Very low | 107 Ų | 107 | 145.4 Ų | 145.4 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -3.9 | -175.1 | -166.8 | 0 | 0 | 0 | 0 | 115.3 | D47 | D47-S49 PolarHBondContact O-N 3.17Š|
| 50 | Q | 48.1 | Very low | 50.2 | Low | 141 Ų | 141 | 147.4 Ų | 147.4 | 66% | 0.659 | 70% | 0.697 | S | S | * | * | trans | -99.4 | 21.7 | -173.5 | -78.6 | -154.6 | -45.7 | 0 | 0 | 116.1 | K52 D53 | Q50-K52 PolarHBondContact O-N 3.35Å; Q50-D53 PolarHBondContact NE2-OD2 3.36Å; Q50-D53 PolarHBondContact O-N 3Å | ||
| 51 | R | 49.5 | Very low | 51.1 | Low | 235 Ų | 235 | 150.6 Ų | 150.6 | 89% | 0.887 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -12.3 | 173.5 | -95.4 | -172.3 | 179.6 | -176.6 | 2.3 | 114.5 | ||
| 52 | K | 52.7 | Low | 51.9 | Low | 187 Ų | 187 | 143.5 Ų | 143.5 | 81% | 0.813 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -29.9 | 175.3 | -86.3 | -179.6 | 172.6 | 179 | 0 | 113.9 | Q50 S54 A55 | Q50-K52 PolarHBondContact O-N 3.35Å; K52-S54 VanDerWaalsContact C-N 3.25Å; K52-S54 PolarHBondContact O-N 2.94Å; K52-A55 PolarHBondContact O-N 3.43Å |
| 53 | D | 52.6 | Low | 52.6 | Low | 69 Ų | 69 | 142 Ų | 142 | 37% | 0.369 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -74.9 | -18.2 | -178.2 | -57.6 | -17.5 | 0 | 0 | 0 | 112.1 | Q50 D56 W57 | Q50-D53 PolarHBondContact NE2-OD2 3.36Å; Q50-D53 PolarHBondContact O-N 3Å; D53-D56 WeakPolarHBondContact O-CB 3.46Å; D53-D56 PolarHBondContact O-N 3.4Å; D53-W57 PolarHBondContact O-N 3.03Å |
| 54 | S | 51.9 | Low | 53.1 | Low | 65 Ų | 65 | 140 Ų | 140 | 46% | 0.455 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -73.1 | -25.1 | 178.2 | -172.3 | 0 | 0 | 0 | 0 | 113.7 | K52 | K52-S54 VanDerWaalsContact C-N 3.25Å; K52-S54 PolarHBondContact O-N 2.94Å |
| 55 | A | 54.9 | Low | 53.3 | Low | 59 Ų | 59 | 135 Ų | 135 | 49% | 0.488 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -73.5 | -39.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | K52 W57 R58 E59 | K52-A55 PolarHBondContact O-N 3.43Å; A55-W57 PolarHBondContact O-N 3.04Å; A55-R58 PolarHBondContact O-N 3.41Å; A55-R58 VanDerWaalsContact O-N 3.1Å; A55-E59 PolarHBondContact O-N 3.19Å |
| 56 | D | 66.6 | Low | 53.7 | Low | 60 Ų | 60 | 128.2 Ų | 128.2 | 32% | 0.321 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -60.7 | -43.7 | 179.5 | 179.3 | 45.2 | 0 | 0 | 0 | 112.3 | D53 R58 E59 R60 | D53-D56 WeakPolarHBondContact O-CB 3.46Å; D53-D56 PolarHBondContact O-N 3.4Å; D56-R58 VanDerWaalsContact C-N 3.28Å; D56-R58 PolarHBondContact O-N 3.49Å; D56-E59 PolarHBondContact O-N 2.92Å; D56-R60 VanDerWaalsContact CG-NH2 3.27Å; D56-R60 WeakPolarHBondContact O-CB 3.27Å; D56-R60 PolarHBondContact O-N 3.46Å; D56-R60 IonicContact OD1-CZ 3.54Å; D56-R60 IonicContact OD1-NE 3.13Å; D56-R60 IonicContact OD1-NH2 3.47Å; D56-R60 PolarHBondContact OD1-NH2 3.43Å; D56-R60 VanDerWaalsContact OD1-NH2 3.08Å; D56-R60 IonicContact OD2-CZ 3.54Å; D56-R60 IonicContact OD2-NE 2.74Å; D56-R60 IonicContact OD2-NH2 3.34Å; D56-R60 PolarHBondContact OD2-NH2 2.99Å |
| 57 | W | 60.6 | Low | 54.3 | Low | 161 Ų | 161 | 124.9 Ų | 124.9 | 61% | 0.61 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.2 | -29.7 | 175.3 | -65.1 | 107.8 | 0 | 0 | 0 | 114.1 | D53 A55 R61 | D53-W57 PolarHBondContact O-N 3.03Å; A55-W57 PolarHBondContact O-N 3.04Å; W57-R61 VanDerWaalsContact O-CB 3.27Å; W57-R61 WeakPolarHBondContact O-CB 3.38Å; W57-R61 PolarHBondContact O-N 3.35Å |
| 58 | R | 62.6 | Low | 54.9 | Low | 175 Ų | 175 | 124 Ų | 124 | 66% | 0.66 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -76.8 | -38.3 | 179.5 | -137.5 | -175.1 | -62.3 | -129 | 2.6 | 110.8 | A55 D56 R61 A62 | A55-R58 PolarHBondContact O-N 3.41Å; A55-R58 VanDerWaalsContact O-N 3.1Å; D56-R58 VanDerWaalsContact C-N 3.28Å; D56-R58 PolarHBondContact O-N 3.49Å; R58-R61 PolarHBondContact O-N 2.98Å; R58-A62 WeakPolarHBondContact O-CB 3.31Å; R58-A62 PolarHBondContact O-N 2.99Å |
| 59 | E | 59.4 | Low | 55.3 | Low | 127 Ų | 127 | 121.5 Ų | 121.5 | 59% | 0.593 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -71 | -37.1 | 174.5 | -161.9 | 151.2 | -155.9 | 0 | 0 | 111.7 | A55 D56 A62 Q63 | A55-E59 PolarHBondContact O-N 3.19Å; D56-E59 PolarHBondContact O-N 2.92Å; E59-A62 PolarHBondContact O-N 2.99Å; E59-Q63 WeakPolarHBondContact O-CG 3.29Å; E59-Q63 PolarHBondContact O-N 3.24Å |
| 60 | R | 58.4 | Low | 55.4 | Low | 133 Ų | 133 | 121 Ų | 121 | 50% | 0.502 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.9 | -33.2 | 173.5 | -152.3 | 179.9 | -65.8 | -119.7 | 5.5 | 112.4 | D56 A64 | D56-R60 VanDerWaalsContact CG-NH2 3.27Å; D56-R60 WeakPolarHBondContact O-CB 3.27Å; D56-R60 PolarHBondContact O-N 3.46Å; D56-R60 IonicContact OD1-CZ 3.54Å; D56-R60 IonicContact OD1-NE 3.13Å; D56-R60 IonicContact OD1-NH2 3.47Å; D56-R60 PolarHBondContact OD1-NH2 3.43Å; D56-R60 VanDerWaalsContact OD1-NH2 3.08Å; D56-R60 IonicContact OD2-CZ 3.54Å; D56-R60 IonicContact OD2-NE 2.74Å; D56-R60 IonicContact OD2-NH2 3.34Å; D56-R60 PolarHBondContact OD2-NH2 2.99Å; R60-A64 WeakPolarHBondContact O-CB 3.44Å; R60-A64 PolarHBondContact O-N 2.96Å |
| 61 | R | 56.4 | Low | 55.5 | Low | 156 Ų | 156 | 123 Ų | 123 | 59% | 0.589 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.5 | -38.1 | 170.5 | -165 | -179.8 | -66.2 | 143.9 | -0.3 | 111.6 | W57 R58 Q63 A64 D65 | W57-R61 VanDerWaalsContact O-CB 3.27Å; W57-R61 WeakPolarHBondContact O-CB 3.38Å; W57-R61 PolarHBondContact O-N 3.35Å; R58-R61 PolarHBondContact O-N 2.98Å; R61-Q63 VanDerWaalsContact C-N 3.33Å; R61-Q63 PolarHBondContact O-N 3.27Å; R61-A64 PolarHBondContact O-N 2.92Å; R61-D65 WeakPolarHBondContact O-CB 3.29Å; R61-D65 PolarHBondContact O-N 2.9Å |
| 62 | A | 58 | Low | 55.6 | Low | 57 Ų | 57 | 117.7 Ų | 117.7 | 47% | 0.471 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.4 | -36.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R58 E59 T66 | R58-A62 WeakPolarHBondContact O-CB 3.31Å; R58-A62 PolarHBondContact O-N 2.99Å; E59-A62 PolarHBondContact O-N 2.99Å; A62-T66 PolarHBondContact O-N 3.43Å; A62-T66 PolarHBondContact O-OG1 3.38Å |
| 63 | Q | 57.8 | Low | 55.8 | Low | 145 Ų | 145 | 112.9 Ų | 112.9 | 68% | 0.678 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.8 | -34 | 171.6 | -79.3 | 178.6 | 7.7 | 0 | 0 | 112.9 | E59 R61 | E59-Q63 WeakPolarHBondContact O-CG 3.29Å; E59-Q63 PolarHBondContact O-N 3.24Å; R61-Q63 VanDerWaalsContact C-N 3.33Å; R61-Q63 PolarHBondContact O-N 3.27Å |
| 64 | A | 53.5 | Low | 56.1 | Low | 79 Ų | 79 | 112.2 Ų | 112.2 | 65% | 0.653 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -76.8 | -28.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R60 R61 | R60-A64 WeakPolarHBondContact O-CB 3.44Å; R60-A64 PolarHBondContact O-N 2.96Å; R61-A64 PolarHBondContact O-N 2.92Å |
| 65 | D | 49.6 | Very low | 56.5 | Low | 116 Ų | 116 | 113.7 Ų | 113.7 | 62% | 0.62 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -91.5 | -2.2 | 178.6 | -66.3 | -21.6 | 0 | 0 | 0 | 112.9 | R61 V67 | R61-D65 WeakPolarHBondContact O-CB 3.29Å; R61-D65 PolarHBondContact O-N 2.9Å; D65-V67 VanDerWaalsContact C-N 3.29Å; D65-V67 PolarHBondContact O-N 3.41Å |
| 66 | T | 53.1 | Low | 57.1 | Low | 99 Ų | 99 | 117.3 Ų | 117.3 | 61% | 0.607 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -72.1 | 92.2 | 167.4 | -53.7 | 0 | 0 | 0 | 0 | 107.2 | A62 D68 | A62-T66 PolarHBondContact O-N 3.43Å; A62-T66 PolarHBondContact O-OG1 3.38Å; T66-D68 PolarHBondContact O-N 2.91Å |
| 67 | V | 55.4 | Low | 57.8 | Low | 118 Ų | 118 | 120.6 Ų | 120.6 | 72% | 0.715 | 62% | 0.617 | S | S | * | * | trans | -55 | 110.5 | 169.5 | -167.2 | 0 | 0 | 0 | 0 | 106.2 | D65 L69 | D65-V67 VanDerWaalsContact C-N 3.29Å; D65-V67 PolarHBondContact O-N 3.41Å; V67-L69 PolarHBondContact O-N 3.23Å | ||
| 68 | D | 54.3 | Low | 58.8 | Low | 115 Ų | 115 | 118 Ų | 118 | 62% | 0.615 | 61% | 0.612 | S | S | * | * | trans | -65 | 90.4 | 176.7 | -170.6 | 15.6 | 0 | 0 | 0 | 108 | T66 N70 W71 | T66-D68 PolarHBondContact O-N 2.91Å; D68-N70 PolarHBondContact O-N 2.92Å; D68-N70 WeakPolarHBondContact OD1-CB 3.46Å; D68-N70 PolarHBondContact OD1-N 3.35Å; D68-W71 PolarHBondContact O-N 3.37Å | ||
| 69 | L | 55.2 | Low | 59.9 | Low | 148 Ų | 148 | 112.9 Ų | 112.9 | 78% | 0.775 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -66.1 | 1.8 | 172.9 | -69 | 172.8 | 0 | 0 | 0 | 111.4 | V67 W71 | V67-L69 PolarHBondContact O-N 3.23Å; L69-W71 PolarHBondContact O-N 2.91Å; L69-W71 VanDerWaalsContact O-N 3.13Å |
| 70 | N | 52.3 | Low | 61.3 | Low | 95 Ų | 95 | 109.8 Ų | 109.8 | 51% | 0.508 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -73.5 | 16.4 | 165.7 | -144.4 | 39.5 | 0 | 0 | 0 | 113.2 | D68 C72 V73 | D68-N70 PolarHBondContact O-N 2.92Å; D68-N70 WeakPolarHBondContact OD1-CB 3.46Å; D68-N70 PolarHBondContact OD1-N 3.35Å; N70-C72 PolarHBondContact O-N 3.4Å; N70-V73 PolarHBondContact O-N 2.94Å; N70-V73 WeakPolarHBondContact OD1-CG2 3.44Å |
| 71 | W | 50.3 | Low | 62.7 | Low | 183 Ų | 183 | 109.7 Ų | 109.7 | 69% | 0.693 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -50.4 | -17.3 | 163.3 | -157.3 | -82.7 | 0 | 0 | 0 | 113.1 | D68 L69 V73 I74 L95 | D68-W71 PolarHBondContact O-N 3.37Å; L69-W71 PolarHBondContact O-N 2.91Å; L69-W71 VanDerWaalsContact O-N 3.13Å; W71-V73 PolarHBondContact O-N 2.98Å; W71-I74 HydrophobicContact CD2-CD1 3.92Å; W71-I74 VanDerWaalsContact CE2-CD1 3.49Å; W71-I74 HydrophobicContact CG-CD1 4.17Å; W71-I74 HydrophobicContact CZ2-CD1 3.85Å; W71-L95 HydrophobicContact CH2-CD1 3.89Å; W71-L95 HydrophobicContact CZ2-CD1 3.79Å |
| 72 | C | 52.8 | Low | 64.3 | Low | 125 Ų | 125 | 107.2 Ų | 107.2 | 85% | 0.845 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -70.1 | 0.8 | 170.1 | -65.4 | 0 | 0 | 0 | 0 | 115.3 | N70 | N70-C72 PolarHBondContact O-N 3.4Š|
| 73 | V | 55.5 | Low | 65.8 | Low | 85 Ų | 85 | 109.4 Ų | 109.4 | 52% | 0.515 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -116.1 | 23 | 177.5 | -162.4 | 0 | 0 | 0 | 0 | 112.3 | N70 W71 S75 | N70-V73 PolarHBondContact O-N 2.94Å; N70-V73 WeakPolarHBondContact OD1-CG2 3.44Å; W71-V73 PolarHBondContact O-N 2.98Å; V73-S75 PolarHBondContact O-N 3.44Å |
| 74 | I | 58.7 | Low | 67.4 | Low | 56 Ų | 56 | 107.6 Ų | 107.6 | 29% | 0.287 | 58% | 0.584 | S | S | . | * | trans | -75.9 | 81.2 | 160 | -54.2 | 175.7 | 0 | 0 | 0 | 106.7 | W71 D76 L95 | W71-I74 HydrophobicContact CD2-CD1 3.92Å; W71-I74 VanDerWaalsContact CE2-CD1 3.49Å; W71-I74 HydrophobicContact CG-CD1 4.17Å; W71-I74 HydrophobicContact CZ2-CD1 3.85Å; I74-D76 PolarHBondContact O-N 3.25Å; I74-L95 HydrophobicContact CD1-CB 4.4Å; I74-L95 HydrophobicContact CD1-CD2 4.38Å | ||
| 75 | S | 60.1 | Low | 69.1 | Low | 95 Ų | 95 | 107.1 Ų | 107.1 | 66% | 0.664 | 58% | 0.575 | S | S | * | * | trans | -67.9 | -26 | -178.8 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | V73 | V73-S75 PolarHBondContact O-N 3.44Š| ||
| 76 | D | 69.2 | Low | 71.1 | Confident | 136 Ų | 136 | 109.3 Ų | 109.3 | 73% | 0.727 | 59% | 0.592 | S | S | * | * | trans | -134.4 | 96.8 | -173.3 | -54.9 | -51.3 | 0 | 0 | 0 | 109.7 | I74 | I74-D76 PolarHBondContact O-N 3.25Š| ||
| 77 | M | 81 | Confident | 72.9 | Confident | 128 Ų | 128 | 110.2 Ų | 110.2 | 63% | 0.631 | 60% | 0.603 | S | S | * | * | trans | -84.8 | 108.6 | 167.3 | 179.4 | 178.8 | 72.2 | 0 | 0 | 108.2 | V79 V93 L95 | M77-V79 HydrophobicContact CE-CG2 4.04Å; M77-V79 HydrophobicContact CG-CG2 4.13Å; M77-V79 HydrophobicContact SD-CG2 4.43Å; M77-V93 HydrophobicContact CG-CG1 3.85Å; M77-V93 HydrophobicContact SD-CG1 4.22Å; M77-L95 HydrophobicContact CG-CD2 4.48Å | ||
| 78 | E | 80.9 | Confident | 74.7 | Confident | 107 Ų | 107 | 106.3 Ų | 106.3 | 50% | 0.5 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92 | 121.8 | 176.7 | -175.1 | 176.9 | -176 | 0 | 0 | 109.6 | I80 V93 I94 | E78-I80 HydrophobicContact CG-CG1 4.19Å; E78-V93 CarbonylContact O-C 3.58Å; E78-V93 WeakPolarHBondContact O-CA 3.41Å; E78-I94 HydrophobicContact CB-CB 4.27Å; E78-I94 PolarHBondContact N-O 3.31Å; E78-I94 VanDerWaalsContact N-O 3.11Å; E78-I94 PolarHBondContact O-N 3.13Å |
| 79 | V | 86.6 | Confident | 76.5 | Confident | 67 Ų | 67 | 107.4 Ų | 107.4 | 41% | 0.406 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.7 | 112.8 | 177.2 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | M77 F91 E92 V93 | M77-V79 HydrophobicContact CE-CG2 4.04Å; M77-V79 HydrophobicContact CG-CG2 4.13Å; M77-V79 HydrophobicContact SD-CG2 4.43Å; V79-F91 HydrophobicContact CG1-CB 4.05Å; V79-F91 HydrophobicContact CG1-CD2 3.68Å; V79-F91 HydrophobicContact CG1-CE2 4.45Å; V79-F91 HydrophobicContact CG1-CG 4.09Å; V79-E92 CarbonylContact C-O 3.57Å; V79-E92 WeakPolarHBondContact CA-O 3.34Å; V79-V93 HydrophobicContact CG2-CG1 4.46Å; V79-V93 HydrophobicContact CG2-CG2 4.29Å |
| 80 | I | 87.6 | Confident | 78.3 | Confident | 62 Ų | 62 | 103 Ų | 103 | 32% | 0.318 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.5 | 106.5 | 177.8 | -56.3 | 177.8 | 0 | 0 | 0 | 107.8 | E78 L82 F91 E92 I94 | E78-I80 HydrophobicContact CG-CG1 4.19Å; I80-L82 HydrophobicContact CG2-CD2 4.4Å; I80-L82 PolarHBondContact O-N 2.83Å; I80-F91 CarbonylContact O-C 3.56Å; I80-F91 WeakPolarHBondContact O-CA 3.04Å; I80-F91 WeakPolarHBondContact O-CB 3.48Å; I80-E92 HydrophobicContact CB-CB 4.32Å; I80-E92 PolarHBondContact N-O 3.04Å; I80-E92 PolarHBondContact O-N 2.86Å; I80-I94 HydrophobicContact CD1-CD1 3.65Å |
| 81 | E | 88.7 | Confident | 80.3 | Confident | 132 Ų | 132 | 104.2 Ų | 104.2 | 62% | 0.617 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -65.8 | 124.5 | 172.9 | -62.4 | -168.4 | 153 | 0 | 0 | 110.3 | K84 | E81-K84 IonicContact OE1-NZ 2.79Å; E81-K84 PolarHBondContact OE1-NZ 3.46Å; E81-K84 VanDerWaalsContact OE2-CE 3.25Å; E81-K84 WeakPolarHBondContact OE2-CE 3.44Å; E81-K84 IonicContact OE2-NZ 2.7Å; E81-K84 PolarHBondContact OE2-NZ 3.28Å |
| 82 | L | 90.6 | Very high | 82.2 | Confident | 104 Ų | 104 | 100.3 Ų | 100.3 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.4 | -59.9 | -175.9 | -66.5 | 175.1 | 0 | 0 | 0 | 112.1 | I80 S90 E92 | I80-L82 HydrophobicContact CG2-CD2 4.4Å; I80-L82 PolarHBondContact O-N 2.83Å; L82-S90 PolarHBondContact N-O 3.43Å; L82-E92 HydrophobicContact CD1-CB 4.19Å; L82-E92 HydrophobicContact CG-CB 4.37Å |
| 83 | N | 88.9 | Confident | 83.9 | Confident | 102 Ų | 102 | 97.2 Ų | 97.2 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 145.9 | -176.6 | -164.3 | -56.6 | 0 | 0 | 0 | 111.4 | Q89 S90 | N83-Q89 CarbonylContact O-C 3.55Å; N83-Q89 WeakPolarHBondContact O-CA 3.39Å; N83-S90 PolarHBondContact N-O 2.92Å; N83-S90 PolarHBondContact N-OG 3.34Å; N83-S90 PolarHBondContact O-N 2.87Å |
| 84 | K | 90.4 | Very high | 85.4 | Confident | 108 Ų | 108 | 95 Ų | 95 | 47% | 0.47 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 122.6 | 171.8 | -61 | -177.8 | 175.5 | 168.3 | 0 | 109 | E81 Q89 | E81-K84 IonicContact OE1-NZ 2.79Å; E81-K84 PolarHBondContact OE1-NZ 3.46Å; E81-K84 VanDerWaalsContact OE2-CE 3.25Å; E81-K84 WeakPolarHBondContact OE2-CE 3.44Å; E81-K84 IonicContact OE2-NZ 2.7Å; E81-K84 PolarHBondContact OE2-NZ 3.28Å; K84-Q89 HydrophobicContact CB-CG 4.17Å; K84-Q89 HydrophobicContact CD-CG 4.45Å; K84-Q89 HydrophobicContact CG-CB 4.24Å; K84-Q89 HydrophobicContact CG-CG 3.88Å |
| 85 | C | 89.5 | Confident | 86.6 | Confident | 69 Ų | 69 | 96 Ų | 96 | 47% | 0.466 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 167 | 172.5 | 68.3 | 0 | 0 | 0 | 0 | 110.6 | S87 G88 | C85-S87 PolarHBondContact O-N 3.16Å; C85-S87 VanDerWaalsContact O-N 3.11Å; C85-S87 PolarHBondContact SG-OG 2.84Å; C85-G88 PolarHBondContact N-O 3.47Å; C85-G88 PolarHBondContact O-N 3.36Å; C85-G88 VanDerWaalsContact O-N 3.12Å; C85-G88 PolarHBondContact SG-N 3.28Å; C85-G88 VanDerWaalsContact SG-N 3.36Å; C85-G88 PolarHBondContact SG-O 3.12Å |
| 86 | T | 91.2 | Very high | 87.7 | Confident | 161 Ų | 161 | 98.8 Ų | 98.8 | 99% | 0.988 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -28.9 | -179.7 | -47.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 87 | S | 91.5 | Very high | 88.1 | Confident | 119 Ų | 119 | 96.8 Ų | 96.8 | 83% | 0.832 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 2.9 | -178.7 | 59.3 | 0 | 0 | 0 | 0 | 114.5 | C85 | C85-S87 PolarHBondContact O-N 3.16Å; C85-S87 VanDerWaalsContact O-N 3.11Å; C85-S87 PolarHBondContact SG-OG 2.84Å |
| 88 | G | 93.1 | Very high | 87.9 | Confident | 35 Ų | 35 | 95.6 Ų | 95.6 | 36% | 0.361 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.1 | 164.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | C85 | C85-G88 PolarHBondContact N-O 3.47Å; C85-G88 PolarHBondContact O-N 3.36Å; C85-G88 VanDerWaalsContact O-N 3.12Å; C85-G88 PolarHBondContact SG-N 3.28Å; C85-G88 VanDerWaalsContact SG-N 3.36Å; C85-G88 PolarHBondContact SG-O 3.12Å |
| 89 | Q | 92.6 | Very high | 87.5 | Confident | 139 Ų | 139 | 95.7 Ų | 95.7 | 65% | 0.65 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 139.8 | 174 | -58.6 | -175.3 | -9.3 | 0 | 0 | 108.6 | N83 K84 | N83-Q89 CarbonylContact O-C 3.55Å; N83-Q89 WeakPolarHBondContact O-CA 3.39Å; K84-Q89 HydrophobicContact CB-CG 4.17Å; K84-Q89 HydrophobicContact CD-CG 4.45Å; K84-Q89 HydrophobicContact CG-CB 4.24Å; K84-Q89 HydrophobicContact CG-CG 3.88Å |
| 90 | S | 91.6 | Very high | 86.9 | Confident | 54 Ų | 54 | 100 Ų | 100 | 38% | 0.378 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 142.8 | 175.3 | 61.2 | 0 | 0 | 0 | 0 | 110.9 | L82 N83 | L82-S90 PolarHBondContact N-O 3.43Å; N83-S90 PolarHBondContact N-O 2.92Å; N83-S90 PolarHBondContact N-OG 3.34Å; N83-S90 PolarHBondContact O-N 2.87Å |
| 91 | F | 94.3 | Very high | 85.9 | Confident | 122 Ų | 122 | 105 Ų | 105 | 54% | 0.535 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -148.9 | 152.2 | 176.4 | 56.8 | -90.1 | 0 | 0 | 0 | 109.2 | V79 I80 V93 | V79-F91 HydrophobicContact CG1-CB 4.05Å; V79-F91 HydrophobicContact CG1-CD2 3.68Å; V79-F91 HydrophobicContact CG1-CE2 4.45Å; V79-F91 HydrophobicContact CG1-CG 4.09Å; I80-F91 CarbonylContact O-C 3.56Å; I80-F91 WeakPolarHBondContact O-CA 3.04Å; I80-F91 WeakPolarHBondContact O-CB 3.48Å; F91-V93 HydrophobicContact CD2-CG2 3.52Å; F91-V93 HydrophobicContact CE2-CG2 3.46Å; F91-V93 VanDerWaalsContact CE2-CG2 3.46Å |
| 92 | E | 90.9 | Very high | 84.7 | Confident | 100 Ų | 100 | 100 Ų | 100 | 47% | 0.467 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.8 | 133.1 | 174 | -173.6 | 170.5 | -175 | 0 | 0 | 108.6 | V79 I80 L82 I94 | V79-E92 CarbonylContact C-O 3.57Å; V79-E92 WeakPolarHBondContact CA-O 3.34Å; I80-E92 HydrophobicContact CB-CB 4.32Å; I80-E92 PolarHBondContact N-O 3.04Å; I80-E92 PolarHBondContact O-N 2.86Å; L82-E92 HydrophobicContact CD1-CB 4.19Å; L82-E92 HydrophobicContact CG-CB 4.37Å; E92-I94 HydrophobicContact CG-CG1 4.27Å |
| 93 | V | 89.6 | Confident | 83.5 | Confident | 61 Ų | 61 | 101.2 Ų | 101.2 | 37% | 0.37 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.8 | 111.8 | 177.1 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | M77 E78 V79 F91 L95 | M77-V93 HydrophobicContact CG-CG1 3.85Å; M77-V93 HydrophobicContact SD-CG1 4.22Å; E78-V93 CarbonylContact O-C 3.58Å; E78-V93 WeakPolarHBondContact O-CA 3.41Å; V79-V93 HydrophobicContact CG2-CG1 4.46Å; V79-V93 HydrophobicContact CG2-CG2 4.29Å; F91-V93 HydrophobicContact CD2-CG2 3.52Å; F91-V93 HydrophobicContact CE2-CG2 3.46Å; F91-V93 VanDerWaalsContact CE2-CG2 3.46Å; V93-L95 HydrophobicContact CG1-CD2 3.84Å; V93-L95 HydrophobicContact CG1-CG 4.48Å |
| 94 | I | 85.9 | Confident | 82.5 | Confident | 39 Ų | 39 | 101.2 Ų | 101.2 | 20% | 0.2 | 58% | 0.578 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.4 | 107.4 | 176.6 | -56.9 | 177.7 | 0 | 0 | 0 | 107.4 | E78 I80 E92 | E78-I94 HydrophobicContact CB-CB 4.27Å; E78-I94 PolarHBondContact N-O 3.31Å; E78-I94 VanDerWaalsContact N-O 3.11Å; E78-I94 PolarHBondContact O-N 3.13Å; I80-I94 HydrophobicContact CD1-CD1 3.65Å; E92-I94 HydrophobicContact CG-CG1 4.27Å |
| 95 | L | 84.4 | Confident | 81.1 | Confident | 75 Ų | 75 | 104.1 Ų | 104.1 | 39% | 0.393 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -80.9 | -28.8 | 177.5 | -59.4 | 178.8 | 0 | 0 | 0 | 112.3 | W71 I74 M77 V93 | W71-L95 HydrophobicContact CH2-CD1 3.89Å; W71-L95 HydrophobicContact CZ2-CD1 3.79Å; I74-L95 HydrophobicContact CD1-CB 4.4Å; I74-L95 HydrophobicContact CD1-CD2 4.38Å; M77-L95 HydrophobicContact CG-CD2 4.48Å; V93-L95 HydrophobicContact CG1-CD2 3.84Å; V93-L95 HydrophobicContact CG1-CG 4.48Å |
| 96 | K | 82.5 | Confident | 79.6 | Confident | 155 Ų | 155 | 109.2 Ų | 109.2 | 67% | 0.674 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -152.7 | 125.9 | 177.8 | -174 | 174.7 | 179.9 | 176.1 | 0 | 107.9 | ||
| 97 | P | 79 | Confident | 77.9 | Confident | 93 Ų | 93 | 107.8 Ų | 107.8 | 60% | 0.604 | 59% | 0.594 | S | S | * | * | trans | -58.3 | 143.8 | 175.3 | 20.8 | -29.7 | 0 | 0 | 0 | 110 | S99 | P97-S99 PolarHBondContact O-N 3.39Š| ||
| 98 | P | 75.6 | Confident | 76.1 | Confident | 103 Ų | 103 | 105.5 Ų | 105.5 | 67% | 0.669 | 58% | 0.582 | S | S | * | * | trans | -54 | 126.1 | -178.7 | 21.8 | -32 | 0 | 0 | 0 | 109.8 | F100 | P98-F100 PolarHBondContact O-N 3.42Å; P98-F100 VanDerWaalsContact O-N 3.17Å | ||
| 99 | S | 72.7 | Confident | 74.3 | Confident | 110 Ų | 110 | 109.5 Ų | 109.5 | 77% | 0.769 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -72.5 | -6.4 | -176.6 | -51.1 | 0 | 0 | 0 | 0 | 113 | P97 | P97-S99 PolarHBondContact O-N 3.39Š|
| 100 | F | 74 | Confident | 72.9 | Confident | 156 Ų | 156 | 109.7 Ų | 109.7 | 68% | 0.684 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -136.4 | 119.1 | 177.2 | -178.4 | -114.2 | 0 | 0 | 0 | 107.3 | P98 G102 | P98-F100 PolarHBondContact O-N 3.42Å; P98-F100 VanDerWaalsContact O-N 3.17Å; F100-G102 WeakPolarHBondContact CD1-O 3.36Å; F100-G102 WeakPolarHBondContact CE1-O 3.35Å; F100-G102 PolarHBondContact O-N 2.96Å; F100-G102 VanDerWaalsContact O-N 3.13Å |
| 101 | D | 66.5 | Low | 71.4 | Confident | 169 Ų | 169 | 111.1 Ų | 111.1 | 90% | 0.904 | 62% | 0.617 | S | S | * | * | trans | -75.5 | 8 | -178.5 | -151.9 | 16.8 | 0 | 0 | 0 | 112.5 | ||||
| 102 | G | 64.6 | Low | 69.8 | Low | 26 Ų | 26 | 117.3 Ų | 117.3 | 27% | 0.268 | 64% | 0.637 | S | S | . | * | trans | -104.2 | 112.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F100 P104 | F100-G102 WeakPolarHBondContact CD1-O 3.36Å; F100-G102 WeakPolarHBondContact CE1-O 3.35Å; F100-G102 PolarHBondContact O-N 2.96Å; F100-G102 VanDerWaalsContact O-N 3.13Å; G102-P104 WeakPolarHBondContact O-CD 3.44Å | ||
| 103 | V | 65.3 | Low | 68.5 | Low | 129 Ų | 129 | 122.4 Ų | 122.4 | 78% | 0.782 | 65% | 0.652 | S | S | * | * | trans | -57.2 | 122.4 | 157.1 | 177.2 | 0 | 0 | 0 | 0 | 106.8 | E105 | V103-E105 PolarHBondContact O-N 3.37Š| ||
| 104 | P | 68.2 | Low | 67.8 | Low | 103 Ų | 103 | 130.3 Ų | 130.3 | 67% | 0.669 | 68% | 0.675 | S | S | * | * | trans | -58.7 | 113.2 | 170.9 | -19 | 30.8 | 0 | 0 | 0 | 107 | G102 F106 | G102-P104 WeakPolarHBondContact O-CD 3.44Å; P104-F106 PolarHBondContact O-N 2.9Å | ||
| 105 | E | 61 | Low | 67.5 | Low | 168 Ų | 168 | 135.8 Ų | 135.8 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | trans | -67.9 | 70 | 171.2 | -75.8 | -174.4 | 155.6 | 0 | 0 | 108.9 | V103 N107 | V103-E105 PolarHBondContact O-N 3.37Å; E105-N107 PolarHBondContact O-N 3.33Å | ||
| 106 | F | 57.8 | Low | 67.4 | Low | 177 Ų | 177 | 135.5 Ų | 135.5 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 116.8 | 169.8 | -154.9 | -99.4 | 0 | 0 | 0 | 105.7 | P104 | P104-F106 PolarHBondContact O-N 2.9Š|
| 107 | N | 54.8 | Low | 67.7 | Low | 131 Ų | 131 | 130.5 Ų | 130.5 | 70% | 0.701 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 103.6 | 21.9 | 178.2 | -47 | -50.9 | 0 | 0 | 0 | 118.4 | E105 | E105-N107 PolarHBondContact O-N 3.33Š|
| 108 | A | 54 | Low | 68.5 | Low | 71 Ų | 71 | 131.8 Ų | 131.8 | 59% | 0.587 | 69% | 0.693 | S | S | * | * | trans | -84.5 | -8.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L110 | A108-L110 VanDerWaalsContact C-N 3.35Å; A108-L110 PolarHBondContact O-N 3.49Å | ||
| 109 | S | 56 | Low | 69.4 | Low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -81 | -10.1 | -175.3 | 1.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 110 | L | 62 | Low | 70.4 | Confident | 143 Ų | 143 | 133.6 Ų | 133.6 | 75% | 0.749 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -93.6 | 126.5 | 163.8 | -67.7 | 175.8 | 0 | 0 | 0 | 106.9 | A108 R112 | A108-L110 VanDerWaalsContact C-N 3.35Å; A108-L110 PolarHBondContact O-N 3.49Å; L110-R112 PolarHBondContact O-N 2.81Å; L110-R112 VanDerWaalsContact O-N 3.16Å |
| 111 | P | 61 | Low | 71.4 | Confident | 85 Ų | 85 | 129.6 Ų | 129.6 | 55% | 0.552 | 67% | 0.665 | S | S | * | * | trans | -47.6 | 132.6 | 168 | -20 | 28.8 | 0 | 0 | 0 | 106.9 | R113 | P111-R113 PolarHBondContact O-N 2.9Š| ||
| 112 | R | 59.8 | Low | 72.9 | Confident | 251 Ų | 251 | 126 Ų | 126 | 95% | 0.947 | 64% | 0.643 | S | S | * | * | trans | -60 | 77.3 | 165.9 | -73.8 | -173.6 | 174.1 | -144.5 | 2.1 | 107.3 | L110 R114 | L110-R112 PolarHBondContact O-N 2.81Å; L110-R112 VanDerWaalsContact O-N 3.16Å; R112-R114 PolarHBondContact O-N 3.4Å | ||
| 113 | R | 63.9 | Low | 74.4 | Confident | 207 Ų | 207 | 132 Ų | 132 | 78% | 0.781 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 123.3 | 167 | -66.6 | -64.1 | -178.4 | 174.6 | -2.4 | 102.7 | P111 D115 | P111-R113 PolarHBondContact O-N 2.9Å; R113-D115 PolarHBondContact O-N 3.16Å |
| 114 | R | 75.8 | Confident | 76 | Confident | 227 Ų | 227 | 132.5 Ų | 132.5 | 86% | 0.857 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 135.6 | 169.7 | -63.7 | 178.3 | -178.7 | 177.8 | -1.2 | 106.5 | R112 P116 | R112-R114 PolarHBondContact O-N 3.4Å; R114-P116 VanDerWaalsContact O-N 3.11Å |
| 115 | D | 78.6 | Confident | 77.4 | Confident | 155 Ų | 155 | 133 Ų | 133 | 83% | 0.829 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 125.1 | 173.4 | -69.2 | -43.9 | 0 | 0 | 0 | 107.2 | R113 S117 | R113-D115 PolarHBondContact O-N 3.16Å; D115-S117 PolarHBondContact O-N 3.23Å |
| 116 | P | 81.6 | Confident | 79.1 | Confident | 68 Ų | 68 | 130.4 Ų | 130.4 | 44% | 0.442 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 129.1 | -171.9 | 21.2 | -31.1 | 0 | 0 | 0 | 108.9 | R114 I121 | R114-P116 VanDerWaalsContact O-N 3.11Å; P116-I121 HydrophobicContact CB-CD1 4.38Å; P116-I121 HydrophobicContact CB-CG1 4.06Å; P116-I121 HydrophobicContact CG-CD1 4.27Å; P116-I121 HydrophobicContact CG-CG1 4.36Å |
| 117 | S | 90.2 | Very high | 81.1 | Confident | 50 Ų | 50 | 124 Ų | 124 | 35% | 0.35 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 154 | 178 | 73.8 | 0 | 0 | 0 | 0 | 109.8 | D115 E119 E120 I121 | D115-S117 PolarHBondContact O-N 3.23Å; S117-E119 PolarHBondContact O-N 3.22Å; S117-E120 PolarHBondContact O-N 2.98Å; S117-E120 WeakPolarHBondContact OG-CG 3.27Å; S117-E120 PolarHBondContact OG-N 3.36Å; S117-E120 VanDerWaalsContact OG-N 3.14Å; S117-I121 WeakPolarHBondContact O-CG1 3.38Å; S117-I121 PolarHBondContact O-N 3.29Å |
| 118 | L | 94.7 | Very high | 83.1 | Confident | 121 Ų | 121 | 119.6 Ų | 119.6 | 63% | 0.634 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -53 | -38.6 | 174.9 | 179.1 | 63.5 | 0 | 0 | 0 | 111.4 | I121 Q122 | L118-I121 PolarHBondContact O-N 2.9Å; L118-Q122 HydrophobicContact CD1-CG 4.44Å; L118-Q122 HydrophobicContact CG-CG 4.49Å; L118-Q122 WeakPolarHBondContact O-CB 2.9Å; L118-Q122 WeakPolarHBondContact O-CG 3.39Å; L118-Q122 PolarHBondContact O-N 2.98Å |
| 119 | E | 94.4 | Very high | 85.3 | Confident | 150 Ų | 150 | 119.7 Ų | 119.7 | 70% | 0.701 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.8 | -43.5 | 176.8 | -171.3 | -178.1 | 179.8 | 0 | 0 | 112.3 | S117 I121 Q122 K123 | S117-E119 PolarHBondContact O-N 3.22Å; E119-I121 VanDerWaalsContact C-N 3.31Å; E119-I121 PolarHBondContact O-N 3.48Å; E119-Q122 PolarHBondContact O-N 3.31Å; E119-K123 VanDerWaalsContact O-CB 3.32Å; E119-K123 WeakPolarHBondContact O-CB 3.27Å; E119-K123 PolarHBondContact O-N 3.27Å |
| 120 | E | 94.6 | Very high | 87.3 | Confident | 101 Ų | 101 | 119.2 Ų | 119.2 | 47% | 0.472 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.8 | -36.1 | 175.9 | -74.5 | 176 | -175.8 | 0 | 0 | 112.4 | S117 K124 | S117-E120 PolarHBondContact O-N 2.98Å; S117-E120 WeakPolarHBondContact OG-CG 3.27Å; S117-E120 PolarHBondContact OG-N 3.36Å; S117-E120 VanDerWaalsContact OG-N 3.14Å; E120-K124 VanDerWaalsContact O-CG 3.31Å; E120-K124 WeakPolarHBondContact O-CG 3.43Å; E120-K124 PolarHBondContact O-N 3.19Å; E120-K124 VanDerWaalsContact O-N 3.16Å |
| 121 | I | 95.4 | Very high | 89 | Confident | 71 Ų | 71 | 119.4 Ų | 119.4 | 36% | 0.364 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.9 | -49.6 | 176.4 | -63.2 | 170.1 | 0 | 0 | 0 | 109.9 | P116 S117 L118 E119 K123 K124 L125 | P116-I121 HydrophobicContact CB-CD1 4.38Å; P116-I121 HydrophobicContact CB-CG1 4.06Å; P116-I121 HydrophobicContact CG-CD1 4.27Å; P116-I121 HydrophobicContact CG-CG1 4.36Å; S117-I121 WeakPolarHBondContact O-CG1 3.38Å; S117-I121 PolarHBondContact O-N 3.29Å; L118-I121 PolarHBondContact O-N 2.9Å; E119-I121 VanDerWaalsContact C-N 3.31Å; E119-I121 PolarHBondContact O-N 3.48Å; I121-K123 VanDerWaalsContact C-N 3.35Å; I121-K123 PolarHBondContact O-N 3.08Å; I121-K124 PolarHBondContact O-N 2.64Å; I121-K124 VanDerWaalsContact O-N 3.13Å; I121-L125 HydrophobicContact CG2-CD1 4.15Å; I121-L125 WeakPolarHBondContact O-CG 3.41Å; I121-L125 PolarHBondContact O-N 3.43Å |
| 122 | Q | 96.9 | Very high | 90.8 | Very high | 94 Ų | 94 | 121.7 Ų | 121.7 | 44% | 0.439 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -56.6 | -48.3 | 177.5 | -76.2 | 174.1 | -19.2 | 0 | 0 | 111.2 | L118 E119 K124 L125 E126 | L118-Q122 HydrophobicContact CD1-CG 4.44Å; L118-Q122 HydrophobicContact CG-CG 4.49Å; L118-Q122 WeakPolarHBondContact O-CB 2.9Å; L118-Q122 WeakPolarHBondContact O-CG 3.39Å; L118-Q122 PolarHBondContact O-N 2.98Å; E119-Q122 PolarHBondContact O-N 3.31Å; Q122-K124 VanDerWaalsContact C-N 3.28Å; Q122-K124 PolarHBondContact O-N 3.47Å; Q122-L125 WeakPolarHBondContact O-CB 3.31Å; Q122-L125 PolarHBondContact O-N 2.89Å; Q122-E126 WeakPolarHBondContact O-CG 3.39Å; Q122-E126 PolarHBondContact O-N 3.03Å |
| 123 | K | 97.1 | Very high | 92.6 | Very high | 151 Ų | 151 | 114 Ų | 114 | 66% | 0.657 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58 | -37.9 | 176.8 | -175 | 174.6 | -177.4 | 172.7 | 0 | 113.1 | E119 I121 A127 | E119-K123 VanDerWaalsContact O-CB 3.32Å; E119-K123 WeakPolarHBondContact O-CB 3.27Å; E119-K123 PolarHBondContact O-N 3.27Å; I121-K123 VanDerWaalsContact C-N 3.35Å; I121-K123 PolarHBondContact O-N 3.08Å; K123-A127 WeakPolarHBondContact O-CB 3.34Å; K123-A127 PolarHBondContact O-N 3.27Å |
| 124 | K | 97.4 | Very high | 94.2 | Very high | 140 Ų | 140 | 111.1 Ų | 111.1 | 61% | 0.609 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.4 | -37.7 | 175.9 | -76 | 172.5 | -177 | 171.6 | 0 | 112.2 | E120 I121 Q122 A128 | E120-K124 VanDerWaalsContact O-CG 3.31Å; E120-K124 WeakPolarHBondContact O-CG 3.43Å; E120-K124 PolarHBondContact O-N 3.19Å; E120-K124 VanDerWaalsContact O-N 3.16Å; I121-K124 PolarHBondContact O-N 2.64Å; I121-K124 VanDerWaalsContact O-N 3.13Å; Q122-K124 VanDerWaalsContact C-N 3.28Å; Q122-K124 PolarHBondContact O-N 3.47Å; K124-A128 PolarHBondContact O-N 2.89Å; K124-A128 VanDerWaalsContact O-N 3.1Å |
| 125 | L | 98.2 | Very high | 95.3 | Very high | 114 Ų | 114 | 106.9 Ų | 106.9 | 60% | 0.597 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.9 | -46.7 | 176.1 | -68.6 | 173.5 | 0 | 0 | 0 | 111.2 | I121 Q122 A127 A128 E129 | I121-L125 HydrophobicContact CG2-CD1 4.15Å; I121-L125 WeakPolarHBondContact O-CG 3.41Å; I121-L125 PolarHBondContact O-N 3.43Å; Q122-L125 WeakPolarHBondContact O-CB 3.31Å; Q122-L125 PolarHBondContact O-N 2.89Å; L125-A127 PolarHBondContact O-N 3.4Å; L125-A128 WeakPolarHBondContact O-CB 3.5Å; L125-A128 PolarHBondContact O-N 3.15Å; L125-A128 VanDerWaalsContact O-N 3.12Å; L125-E129 PolarHBondContact O-N 3.38Å |
| 126 | E | 97.7 | Very high | 96.2 | Very high | 114 Ų | 114 | 105 Ų | 105 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.2 | -47.4 | 174.5 | -72 | 171.5 | -173.8 | 0 | 0 | 110.9 | Q122 A128 E129 E130 | Q122-E126 WeakPolarHBondContact O-CG 3.39Å; Q122-E126 PolarHBondContact O-N 3.03Å; E126-A128 PolarHBondContact O-N 2.85Å; E126-E129 CarbonylContact O-C 3.45Å; E126-E129 WeakPolarHBondContact O-CB 3.36Å; E126-E129 PolarHBondContact O-N 3.01Å; E126-E129 VanDerWaalsContact O-N 3.08Å; E126-E130 WeakPolarHBondContact O-CG 3.31Å; E126-E130 PolarHBondContact O-N 3.13Å |
| 127 | A | 98.2 | Very high | 97 | Very high | 42 Ų | 42 | 104.1 Ų | 104.1 | 35% | 0.347 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.3 | -32.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | K123 L125 R131 | K123-A127 WeakPolarHBondContact O-CB 3.34Å; K123-A127 PolarHBondContact O-N 3.27Å; L125-A127 PolarHBondContact O-N 3.4Å; A127-R131 WeakPolarHBondContact O-CG 3.35Å; A127-R131 PolarHBondContact O-N 3.08Å; A127-R131 PolarHBondContact O-NH1 3.32Å |
| 128 | A | 98.6 | Very high | 97.4 | Very high | 39 Ų | 39 | 104.5 Ų | 104.5 | 32% | 0.322 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.6 | -38 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K124 L125 E126 R131 R132 | K124-A128 PolarHBondContact O-N 2.89Å; K124-A128 VanDerWaalsContact O-N 3.1Å; L125-A128 WeakPolarHBondContact O-CB 3.5Å; L125-A128 PolarHBondContact O-N 3.15Å; L125-A128 VanDerWaalsContact O-N 3.12Å; E126-A128 PolarHBondContact O-N 2.85Å; A128-R131 PolarHBondContact O-N 3.01Å; A128-R132 PolarHBondContact O-N 2.76Å; A128-R132 VanDerWaalsContact O-N 3.12Å |
| 129 | E | 98.3 | Very high | 97.5 | Very high | 73 Ų | 73 | 103.9 Ų | 103.9 | 34% | 0.341 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 173.4 | 169.4 | 158.6 | -125.2 | 0 | 0 | 112.3 | L125 E126 R131 R132 K133 | L125-E129 PolarHBondContact O-N 3.38Å; E126-E129 CarbonylContact O-C 3.45Å; E126-E129 WeakPolarHBondContact O-CB 3.36Å; E126-E129 PolarHBondContact O-N 3.01Å; E126-E129 VanDerWaalsContact O-N 3.08Å; E129-R131 VanDerWaalsContact C-N 3.3Å; E129-R131 PolarHBondContact O-N 3.44Å; E129-R132 VanDerWaalsContact CD-NH2 3.29Å; E129-R132 WeakPolarHBondContact O-CA 3.44Å; E129-R132 WeakPolarHBondContact O-CB 3.34Å; E129-R132 PolarHBondContact O-N 3.34Å; E129-R132 IonicContact OE1-NH2 3.03Å; E129-R132 PolarHBondContact OE1-NH2 3.04Å; E129-K133 HydrophobicContact CG-CD 4.02Å; E129-K133 VanDerWaalsContact CG-CE 3.41Å; E129-K133 HydrophobicContact CG-CG 4.28Å; E129-K133 WeakPolarHBondContact O-CG 3.13Å; E129-K133 PolarHBondContact O-N 3.27Å; E129-K133 IonicContact OE1-NZ 2.89Å; E129-K133 IonicContact OE2-NZ 3.88Å |
| 130 | E | 98.2 | Very high | 97.7 | Very high | 107 Ų | 107 | 101.5 Ų | 101.5 | 50% | 0.5 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -38.8 | 177 | -71.1 | -54.1 | 116.8 | 0 | 0 | 111.6 | E126 R132 K133 Y134 | E126-E130 WeakPolarHBondContact O-CG 3.31Å; E126-E130 PolarHBondContact O-N 3.13Å; E130-R132 VanDerWaalsContact C-N 3.34Å; E130-R132 PolarHBondContact O-N 2.74Å; E130-K133 PolarHBondContact O-N 3.32Å; E130-K133 IonicContact OE1-NZ 3.62Å; E130-K133 PolarHBondContact OE1-NZ 3.18Å; E130-K133 VanDerWaalsContact OE1-NZ 3.13Å; E130-Y134 VanDerWaalsContact O-CB 3.23Å; E130-Y134 WeakPolarHBondContact O-CB 3.2Å; E130-Y134 PolarHBondContact O-N 2.87Å |
| 131 | R | 98.5 | Very high | 97.9 | Very high | 148 Ų | 148 | 101.6 Ų | 101.6 | 56% | 0.558 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.9 | -39 | 172.1 | -72.9 | -169.9 | -58.5 | -83.8 | 3.6 | 112.7 | A127 A128 E129 Q135 | A127-R131 WeakPolarHBondContact O-CG 3.35Å; A127-R131 PolarHBondContact O-N 3.08Å; A127-R131 PolarHBondContact O-NH1 3.32Å; A128-R131 PolarHBondContact O-N 3.01Å; E129-R131 VanDerWaalsContact C-N 3.3Å; E129-R131 PolarHBondContact O-N 3.44Å; R131-Q135 WeakPolarHBondContact O-CG 3.41Å; R131-Q135 PolarHBondContact O-N 2.91Å |
| 132 | R | 98.2 | Very high | 98 | Very high | 133 Ų | 133 | 102.9 Ų | 102.9 | 50% | 0.502 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.9 | -50.9 | 176.7 | 180 | -179.4 | 64.8 | -114.4 | 5.1 | 110.9 | A128 E129 E130 Y134 Q135 E136 | A128-R132 PolarHBondContact O-N 2.76Å; A128-R132 VanDerWaalsContact O-N 3.12Å; E129-R132 VanDerWaalsContact CD-NH2 3.29Å; E129-R132 WeakPolarHBondContact O-CA 3.44Å; E129-R132 WeakPolarHBondContact O-CB 3.34Å; E129-R132 PolarHBondContact O-N 3.34Å; E129-R132 IonicContact OE1-NH2 3.03Å; E129-R132 PolarHBondContact OE1-NH2 3.04Å; E130-R132 VanDerWaalsContact C-N 3.34Å; E130-R132 PolarHBondContact O-N 2.74Å; R132-Y134 VanDerWaalsContact C-N 3.3Å; R132-Y134 PolarHBondContact O-N 3.46Å; R132-Q135 PolarHBondContact O-N 3.29Å; R132-E136 PolarHBondContact O-N 2.82Å; R132-E136 VanDerWaalsContact O-N 3.1Å |
| 133 | K | 98.3 | Very high | 98.1 | Very high | 90 Ų | 90 | 102 Ų | 102 | 39% | 0.391 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.1 | -39.9 | 177.8 | -71.1 | 175.8 | -174.8 | 160.3 | 0 | 111.8 | E129 E130 E136 A137 | E129-K133 HydrophobicContact CG-CD 4.02Å; E129-K133 VanDerWaalsContact CG-CE 3.41Å; E129-K133 HydrophobicContact CG-CG 4.28Å; E129-K133 WeakPolarHBondContact O-CG 3.13Å; E129-K133 PolarHBondContact O-N 3.27Å; E129-K133 IonicContact OE1-NZ 2.89Å; E129-K133 IonicContact OE2-NZ 3.88Å; E130-K133 PolarHBondContact O-N 3.32Å; E130-K133 IonicContact OE1-NZ 3.62Å; E130-K133 PolarHBondContact OE1-NZ 3.18Å; E130-K133 VanDerWaalsContact OE1-NZ 3.13Å; K133-E136 PolarHBondContact O-N 3.3Å; K133-A137 VanDerWaalsContact O-CB 3.29Å; K133-A137 WeakPolarHBondContact O-CB 3.4Å; K133-A137 PolarHBondContact O-N 3.31Å |
| 134 | Y | 98.2 | Very high | 98.1 | Very high | 146 Ų | 146 | 97.6 Ų | 97.6 | 57% | 0.573 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.5 | -46.6 | 177.4 | 178.8 | -100.2 | 0 | 0 | 0 | 112.2 | E130 R132 E136 A137 E138 | E130-Y134 VanDerWaalsContact O-CB 3.23Å; E130-Y134 WeakPolarHBondContact O-CB 3.2Å; E130-Y134 PolarHBondContact O-N 2.87Å; R132-Y134 VanDerWaalsContact C-N 3.3Å; R132-Y134 PolarHBondContact O-N 3.46Å; Y134-E136 VanDerWaalsContact C-N 3.33Å; Y134-E136 PolarHBondContact O-N 3.29Å; Y134-A137 PolarHBondContact O-N 3.19Å; Y134-E138 HydrophobicContact CD1-CG 4.31Å; Y134-E138 HydrophobicContact CD2-CG 4.48Å; Y134-E138 HydrophobicContact CE1-CG 3.81Å; Y134-E138 HydrophobicContact CE2-CG 3.99Å; Y134-E138 WeakPolarHBondContact O-CG 3.48Å; Y134-E138 PolarHBondContact O-N 3.45Å |
| 135 | Q | 98.1 | Very high | 98.2 | Very high | 137 Ų | 137 | 95.4 Ų | 95.4 | 64% | 0.64 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.7 | -41 | 177.4 | -70.9 | 175 | 7.3 | 0 | 0 | 112.1 | R131 R132 L139 | R131-Q135 WeakPolarHBondContact O-CG 3.41Å; R131-Q135 PolarHBondContact O-N 2.91Å; R132-Q135 PolarHBondContact O-N 3.29Å; Q135-L139 WeakPolarHBondContact O-CB 3.41Å; Q135-L139 PolarHBondContact O-N 3.36Å |
| 136 | E | 97.6 | Very high | 98.2 | Very high | 115 Ų | 115 | 96.4 Ų | 96.4 | 54% | 0.537 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 175.2 | -174.5 | 176.7 | 178.5 | 0 | 0 | 111.7 | R132 K133 Y134 L139 L140 | R132-E136 PolarHBondContact O-N 2.82Å; R132-E136 VanDerWaalsContact O-N 3.1Å; K133-E136 PolarHBondContact O-N 3.3Å; Y134-E136 VanDerWaalsContact C-N 3.33Å; Y134-E136 PolarHBondContact O-N 3.29Å; E136-L139 PolarHBondContact O-N 2.83Å; E136-L140 HydrophobicContact CG-CD1 4.2Å; E136-L140 WeakPolarHBondContact O-CB 3.47Å; E136-L140 VanDerWaalsContact O-CG 3.31Å; E136-L140 WeakPolarHBondContact O-CG 3.34Å; E136-L140 PolarHBondContact O-N 3.27Å |
| 137 | A | 98.2 | Very high | 98.2 | Very high | 51 Ų | 51 | 96.9 Ų | 96.9 | 42% | 0.421 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K133 Y134 L140 K141 | K133-A137 VanDerWaalsContact O-CB 3.29Å; K133-A137 WeakPolarHBondContact O-CB 3.4Å; K133-A137 PolarHBondContact O-N 3.31Å; Y134-A137 PolarHBondContact O-N 3.19Å; A137-L140 PolarHBondContact O-N 3.45Å; A137-K141 WeakPolarHBondContact O-CB 3.43Å; A137-K141 PolarHBondContact O-N 3.05Å |
| 138 | E | 98.2 | Very high | 98.2 | Very high | 58 Ų | 58 | 98.9 Ų | 98.9 | 27% | 0.271 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 175.2 | -73.5 | -64.2 | 121.5 | 0 | 0 | 111.5 | Y134 K141 H142 | Y134-E138 HydrophobicContact CD1-CG 4.31Å; Y134-E138 HydrophobicContact CD2-CG 4.48Å; Y134-E138 HydrophobicContact CE1-CG 3.81Å; Y134-E138 HydrophobicContact CE2-CG 3.99Å; Y134-E138 WeakPolarHBondContact O-CG 3.48Å; Y134-E138 PolarHBondContact O-N 3.45Å; E138-K141 PolarHBondContact O-N 3.41Å; E138-H142 PolarHBondContact O-CD2 3.48Å; E138-H142 VanDerWaalsContact O-CD2 3.27Å; E138-H142 PolarHBondContact O-N 2.86Å; E138-H142 VanDerWaalsContact O-N 3.08Å |
| 139 | L | 98.1 | Very high | 98.2 | Very high | 108 Ų | 108 | 102.4 Ų | 102.4 | 57% | 0.565 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.7 | -47.2 | 173.5 | 176.1 | 62.1 | 0 | 0 | 0 | 111.4 | Q135 E136 K141 H142 L143 | Q135-L139 WeakPolarHBondContact O-CB 3.41Å; Q135-L139 PolarHBondContact O-N 3.36Å; E136-L139 PolarHBondContact O-N 2.83Å; L139-K141 VanDerWaalsContact C-N 3.32Å; L139-K141 PolarHBondContact O-N 3.03Å; L139-H142 PolarHBondContact O-N 3.12Å; L139-L143 HydrophobicContact CD1-CD1 4.45Å; L139-L143 HydrophobicContact CD1-CG 4.49Å; L139-L143 HydrophobicContact CG-CD1 4.27Å; L139-L143 WeakPolarHBondContact O-CG 3.24Å; L139-L143 PolarHBondContact O-N 2.84Å |
| 140 | L | 98.1 | Very high | 98.1 | Very high | 100 Ų | 100 | 103.3 Ų | 103.3 | 52% | 0.524 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.2 | -38.3 | 178.4 | -73.4 | 174.2 | 0 | 0 | 0 | 112 | E136 A137 L143 A144 | E136-L140 HydrophobicContact CG-CD1 4.2Å; E136-L140 WeakPolarHBondContact O-CB 3.47Å; E136-L140 VanDerWaalsContact O-CG 3.31Å; E136-L140 WeakPolarHBondContact O-CG 3.34Å; E136-L140 PolarHBondContact O-N 3.27Å; A137-L140 PolarHBondContact O-N 3.45Å; L140-L143 PolarHBondContact O-N 3.1Å; L140-A144 WeakPolarHBondContact O-CB 3.36Å; L140-A144 PolarHBondContact O-N 3.47Å |
| 141 | K | 98.3 | Very high | 98.2 | Very high | 103 Ų | 103 | 104 Ų | 104 | 45% | 0.448 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.1 | -49.5 | 174.3 | 178.4 | -173.9 | 168.3 | -167.7 | 0 | 111.2 | A137 E138 L139 L143 A144 E145 | A137-K141 WeakPolarHBondContact O-CB 3.43Å; A137-K141 PolarHBondContact O-N 3.05Å; E138-K141 PolarHBondContact O-N 3.41Å; L139-K141 VanDerWaalsContact C-N 3.32Å; L139-K141 PolarHBondContact O-N 3.03Å; K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 2.99Å; K141-A144 WeakPolarHBondContact O-CB 3.28Å; K141-A144 PolarHBondContact O-N 3.13Å; K141-A144 VanDerWaalsContact O-N 3.15Å; K141-E145 VanDerWaalsContact CE-OE1 3.24Å; K141-E145 WeakPolarHBondContact CE-OE1 3.36Å; K141-E145 WeakPolarHBondContact O-CG 3.46Å; K141-E145 PolarHBondContact O-N 2.81Å |
| 142 | H | 98.4 | Very high | 98.1 | Very high | 98 Ų | 98 | 102 Ų | 102 | 45% | 0.454 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.1 | -35.2 | 176.5 | -75.1 | -48.1 | 0 | 0 | 0 | 113.5 | E138 L139 E145 K146 | E138-H142 PolarHBondContact O-CD2 3.48Å; E138-H142 VanDerWaalsContact O-CD2 3.27Å; E138-H142 PolarHBondContact O-N 2.86Å; E138-H142 VanDerWaalsContact O-N 3.08Å; L139-H142 PolarHBondContact O-N 3.12Å; H142-E145 IonicContact CE1-OE2 3.47Å; H142-E145 IonicContact ND1-OE2 3.57Å; H142-E145 PolarHBondContact ND1-OE2 3.46Å; H142-K146 WeakPolarHBondContact O-CG 3.42Å; H142-K146 PolarHBondContact O-N 3.38Å; H142-K146 VanDerWaalsContact O-N 3.13Å |
| 143 | L | 98.2 | Very high | 98.2 | Very high | 75 Ų | 75 | 99.3 Ų | 99.3 | 39% | 0.393 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67 | -41.6 | 173.6 | -69.7 | 173.4 | 0 | 0 | 0 | 111.3 | L139 L140 K141 K146 R147 | L139-L143 HydrophobicContact CD1-CD1 4.45Å; L139-L143 HydrophobicContact CD1-CG 4.49Å; L139-L143 HydrophobicContact CG-CD1 4.27Å; L139-L143 WeakPolarHBondContact O-CG 3.24Å; L139-L143 PolarHBondContact O-N 2.84Å; L140-L143 PolarHBondContact O-N 3.1Å; K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 2.99Å; L143-K146 PolarHBondContact O-N 3.49Å; L143-R147 VanDerWaalsContact O-CG 3.3Å; L143-R147 WeakPolarHBondContact O-CG 3.43Å; L143-R147 PolarHBondContact O-N 3.45Å |
| 144 | A | 98.2 | Very high | 98.1 | Very high | 58 Ų | 58 | 100.3 Ų | 100.3 | 48% | 0.479 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L140 K141 K146 R147 E148 | L140-A144 WeakPolarHBondContact O-CB 3.36Å; L140-A144 PolarHBondContact O-N 3.47Å; K141-A144 WeakPolarHBondContact O-CB 3.28Å; K141-A144 PolarHBondContact O-N 3.13Å; K141-A144 VanDerWaalsContact O-N 3.15Å; A144-K146 VanDerWaalsContact C-N 3.34Å; A144-K146 PolarHBondContact O-N 3.09Å; A144-R147 PolarHBondContact O-N 3.1Å; A144-E148 PolarHBondContact O-N 3.24Å |
| 145 | E | 98.1 | Very high | 98.1 | Very high | 95 Ų | 95 | 98.6 Ų | 98.6 | 44% | 0.444 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -56.9 | -45.2 | 173.5 | -73 | 167.3 | 179.6 | 0 | 0 | 111.4 | K141 H142 R147 E148 H149 | K141-E145 VanDerWaalsContact CE-OE1 3.24Å; K141-E145 WeakPolarHBondContact CE-OE1 3.36Å; K141-E145 WeakPolarHBondContact O-CG 3.46Å; K141-E145 PolarHBondContact O-N 2.81Å; H142-E145 IonicContact CE1-OE2 3.47Å; H142-E145 IonicContact ND1-OE2 3.57Å; H142-E145 PolarHBondContact ND1-OE2 3.46Å; E145-R147 PolarHBondContact O-N 2.87Å; E145-E148 PolarHBondContact O-N 2.9Å; E145-H149 PolarHBondContact O-N 3.13Å |
| 146 | K | 98.4 | Very high | 98.2 | Very high | 135 Ų | 135 | 98 Ų | 98 | 59% | 0.587 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.9 | -39.4 | 175.8 | -73.4 | -178.8 | -179.9 | -174.7 | 0 | 112.9 | H142 L143 A144 E148 H149 E150 | H142-K146 WeakPolarHBondContact O-CG 3.42Å; H142-K146 PolarHBondContact O-N 3.38Å; H142-K146 VanDerWaalsContact O-N 3.13Å; L143-K146 PolarHBondContact O-N 3.49Å; A144-K146 VanDerWaalsContact C-N 3.34Å; A144-K146 PolarHBondContact O-N 3.09Å; K146-E148 VanDerWaalsContact C-N 3.34Å; K146-H149 PolarHBondContact O-N 3.16Å; K146-E150 WeakPolarHBondContact O-CG 3.4Å; K146-E150 PolarHBondContact O-N 3.26Å; K146-E150 VanDerWaalsContact O-N 3.08Å |
| 147 | R | 98.2 | Very high | 98.2 | Very high | 124 Ų | 124 | 95.2 Ų | 95.2 | 47% | 0.468 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.2 | -35.7 | 176.2 | -68.5 | -67.1 | 100 | 95.7 | -1.8 | 112 | L143 A144 E145 E150 R151 | L143-R147 VanDerWaalsContact O-CG 3.3Å; L143-R147 WeakPolarHBondContact O-CG 3.43Å; L143-R147 PolarHBondContact O-N 3.45Å; A144-R147 PolarHBondContact O-N 3.1Å; E145-R147 PolarHBondContact O-N 2.87Å; R147-E150 IonicContact CZ-OE1 3.08Å; R147-E150 IonicContact CZ-OE2 3.53Å; R147-E150 IonicContact NE-OE1 2.67Å; R147-E150 PolarHBondContact NE-OE1 2.92Å; R147-E150 IonicContact NE-OE2 2.76Å; R147-E150 PolarHBondContact NE-OE2 2.85Å; R147-E150 IonicContact NH2-OE1 3.63Å; R147-E150 PolarHBondContact NH2-OE1 2.99Å; R147-E150 IonicContact NH2-OE2 3.72Å; R147-R151 PolarHBondContact O-N 3.04Å; R147-R151 PolarHBondContact O-NH1 3.12Å |
| 148 | E | 97.4 | Very high | 98.2 | Very high | 84 Ų | 84 | 97.3 Ų | 97.3 | 39% | 0.393 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.3 | -45 | 173 | -168.9 | 64.9 | -100.9 | 0 | 0 | 110.9 | A144 E145 K146 E150 R151 E152 | A144-E148 PolarHBondContact O-N 3.24Å; E145-E148 PolarHBondContact O-N 2.9Å; K146-E148 VanDerWaalsContact C-N 3.34Å; E148-E150 VanDerWaalsContact C-N 3.28Å; E148-E150 PolarHBondContact O-N 3.43Å; E148-R151 WeakPolarHBondContact O-CA 3.3Å; E148-R151 WeakPolarHBondContact O-CB 3.49Å; E148-R151 PolarHBondContact O-N 2.8Å; E148-R151 IonicContact OE1-CZ 3.51Å; E148-R151 IonicContact OE1-NE 3.44Å; E148-R151 PolarHBondContact OE1-NE 3.04Å; E148-R151 IonicContact OE1-NH2 2.64Å; E148-R151 IonicContact OE2-CZ 3.87Å; E148-R151 IonicContact OE2-NE 2.8Å; E148-R151 PolarHBondContact OE2-NE 3.08Å; E148-R151 IonicContact OE2-NH2 3.96Å; E148-R151 PolarHBondContact OE2-NH2 3.41Å; E148-E152 HydrophobicContact CG-CG 4.49Å; E148-E152 WeakPolarHBondContact O-CG 3.42Å; E148-E152 PolarHBondContact O-N 2.89Å |
| 149 | H | 98.6 | Very high | 98.2 | Very high | 113 Ų | 113 | 98.8 Ų | 98.8 | 52% | 0.523 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.6 | -40.8 | 177 | -176.5 | 57.8 | 0 | 0 | 0 | 112.9 | E145 K146 R151 E152 V153 | E145-H149 PolarHBondContact O-N 3.13Å; K146-H149 PolarHBondContact O-N 3.16Å; H149-R151 VanDerWaalsContact C-N 3.32Å; H149-R151 PolarHBondContact O-N 3.14Å; H149-E152 IonicContact ND1-OE2 3.43Å; H149-E152 PolarHBondContact O-N 3.18Å; H149-V153 VanDerWaalsContact O-CG2 3.28Å; H149-V153 WeakPolarHBondContact O-CG2 3.33Å; H149-V153 PolarHBondContact O-N 3.04Å |
| 150 | E | 97.6 | Very high | 98.2 | Very high | 91 Ų | 91 | 99 Ų | 99 | 43% | 0.425 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 174.4 | -71.5 | 164.1 | -170.1 | 0 | 0 | 112.4 | K146 R147 E148 I154 | K146-E150 WeakPolarHBondContact O-CG 3.4Å; K146-E150 PolarHBondContact O-N 3.26Å; K146-E150 VanDerWaalsContact O-N 3.08Å; R147-E150 IonicContact CZ-OE1 3.08Å; R147-E150 IonicContact CZ-OE2 3.53Å; R147-E150 IonicContact NE-OE1 2.67Å; R147-E150 PolarHBondContact NE-OE1 2.92Å; R147-E150 IonicContact NE-OE2 2.76Å; R147-E150 PolarHBondContact NE-OE2 2.85Å; R147-E150 IonicContact NH2-OE1 3.63Å; R147-E150 PolarHBondContact NH2-OE1 2.99Å; R147-E150 IonicContact NH2-OE2 3.72Å; E148-E150 VanDerWaalsContact C-N 3.28Å; E148-E150 PolarHBondContact O-N 3.43Å; E150-I154 WeakPolarHBondContact O-CG1 3.48Å; E150-I154 PolarHBondContact O-N 2.59Å |
| 151 | R | 98.5 | Very high | 98.2 | Very high | 122 Ų | 122 | 98.5 Ų | 98.5 | 46% | 0.46 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 175 | -71.1 | -173.9 | -70.1 | -87.5 | 12.5 | 111.5 | R147 E148 H149 V153 I154 Q155 | R147-R151 PolarHBondContact O-N 3.04Å; R147-R151 PolarHBondContact O-NH1 3.12Å; E148-R151 WeakPolarHBondContact O-CA 3.3Å; E148-R151 WeakPolarHBondContact O-CB 3.49Å; E148-R151 PolarHBondContact O-N 2.8Å; E148-R151 IonicContact OE1-CZ 3.51Å; E148-R151 IonicContact OE1-NE 3.44Å; E148-R151 PolarHBondContact OE1-NE 3.04Å; E148-R151 IonicContact OE1-NH2 2.64Å; E148-R151 IonicContact OE2-CZ 3.87Å; E148-R151 IonicContact OE2-NE 2.8Å; E148-R151 PolarHBondContact OE2-NE 3.08Å; E148-R151 IonicContact OE2-NH2 3.96Å; E148-R151 PolarHBondContact OE2-NH2 3.41Å; H149-R151 VanDerWaalsContact C-N 3.32Å; H149-R151 PolarHBondContact O-N 3.14Å; R151-V153 VanDerWaalsContact C-N 3.29Å; R151-V153 PolarHBondContact O-N 3.02Å; R151-I154 PolarHBondContact O-N 3.19Å; R151-Q155 WeakPolarHBondContact O-CB 3.36Å; R151-Q155 PolarHBondContact O-N 3.3Å |
| 152 | E | 98.2 | Very high | 98.2 | Very high | 105 Ų | 105 | 97.7 Ų | 97.7 | 49% | 0.491 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58 | -41.3 | 177.5 | -70.8 | 176.3 | 174.8 | 0 | 0 | 111.6 | E148 H149 Q155 K156 | E148-E152 HydrophobicContact CG-CG 4.49Å; E148-E152 WeakPolarHBondContact O-CG 3.42Å; E148-E152 PolarHBondContact O-N 2.89Å; H149-E152 IonicContact ND1-OE2 3.43Å; H149-E152 PolarHBondContact O-N 3.18Å; E152-Q155 PolarHBondContact O-N 3.44Å; E152-K156 WeakPolarHBondContact O-CB 3.29Å; E152-K156 PolarHBondContact O-N 2.78Å |
| 153 | V | 98.6 | Very high | 98.2 | Very high | 77 Ų | 77 | 97.5 Ų | 97.5 | 47% | 0.467 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 177.6 | 169 | 0 | 0 | 0 | 0 | 111.5 | H149 R151 K156 A157 | H149-V153 VanDerWaalsContact O-CG2 3.28Å; H149-V153 WeakPolarHBondContact O-CG2 3.33Å; H149-V153 PolarHBondContact O-N 3.04Å; R151-V153 VanDerWaalsContact C-N 3.29Å; R151-V153 PolarHBondContact O-N 3.02Å; V153-K156 PolarHBondContact O-N 3.02Å; V153-A157 PolarHBondContact O-N 3.28Å |
| 154 | I | 97.8 | Very high | 98.2 | Very high | 112 Ų | 112 | 101.1 Ų | 101.1 | 57% | 0.574 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.8 | -45.2 | 177.6 | -66.8 | 167.3 | 0 | 0 | 0 | 110.4 | E150 R151 K156 A157 I158 | E150-I154 WeakPolarHBondContact O-CG1 3.48Å; E150-I154 PolarHBondContact O-N 2.59Å; R151-I154 PolarHBondContact O-N 3.19Å; I154-K156 PolarHBondContact O-N 3.47Å; I154-A157 PolarHBondContact O-N 2.87Å; I154-I158 HydrophobicContact CG2-CD1 4.2Å; I154-I158 WeakPolarHBondContact O-CG1 3.42Å; I154-I158 PolarHBondContact O-N 3.2Å; I154-I158 VanDerWaalsContact O-N 3.16Å |
| 155 | Q | 98.3 | Very high | 98.2 | Very high | 110 Ų | 110 | 102.6 Ų | 102.6 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 178.1 | -179.8 | 174.1 | -9.2 | 0 | 0 | 111.3 | R151 E152 A157 I158 E159 | R151-Q155 WeakPolarHBondContact O-CB 3.36Å; R151-Q155 PolarHBondContact O-N 3.3Å; E152-Q155 PolarHBondContact O-N 3.44Å; Q155-A157 VanDerWaalsContact C-N 3.32Å; Q155-A157 PolarHBondContact O-N 2.76Å; Q155-I158 WeakPolarHBondContact O-CB 3.23Å; Q155-I158 PolarHBondContact O-N 3.07Å; Q155-I158 VanDerWaalsContact O-N 3.12Å; Q155-E159 HydrophobicContact CG-CG 4.39Å; Q155-E159 WeakPolarHBondContact CG-OE1 3.38Å; Q155-E159 PolarHBondContact NE2-OE1 3.45Å; Q155-E159 WeakPolarHBondContact O-CG 3.45Å; Q155-E159 PolarHBondContact O-N 3.31Å |
| 156 | K | 98.5 | Very high | 98.3 | Very high | 123 Ų | 123 | 103.8 Ų | 103.8 | 54% | 0.535 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 177.6 | -174.1 | 177.5 | -180 | -174.1 | 0 | 112 | E152 V153 I154 I158 E159 E160 | E152-K156 WeakPolarHBondContact O-CB 3.29Å; E152-K156 PolarHBondContact O-N 2.78Å; V153-K156 PolarHBondContact O-N 3.02Å; I154-K156 PolarHBondContact O-N 3.47Å; K156-I158 VanDerWaalsContact C-N 3.32Å; K156-I158 PolarHBondContact O-N 3.16Å; K156-E159 PolarHBondContact O-N 3.31Å; K156-E160 WeakPolarHBondContact CE-OE1 3.37Å; K156-E160 HydrophobicContact CG-CG 4.38Å; K156-E160 WeakPolarHBondContact O-CB 3.31Å; K156-E160 VanDerWaalsContact O-CG 3.31Å; K156-E160 WeakPolarHBondContact O-CG 3.33Å; K156-E160 PolarHBondContact O-N 3.17Å |
| 157 | A | 98.2 | Very high | 98.3 | Very high | 57 Ų | 57 | 103.1 Ų | 103.1 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V153 I154 Q155 N161 | V153-A157 PolarHBondContact O-N 3.28Å; I154-A157 PolarHBondContact O-N 2.87Å; Q155-A157 VanDerWaalsContact C-N 3.32Å; Q155-A157 PolarHBondContact O-N 2.76Å; A157-N161 PolarHBondContact O-N 3.39Å; A157-N161 VanDerWaalsContact O-N 3.16Å |
| 158 | I | 98.2 | Very high | 98.3 | Very high | 96 Ų | 96 | 99.6 Ų | 99.6 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.5 | -45 | 175.3 | -65 | 166.5 | 0 | 0 | 0 | 110.5 | I154 Q155 K156 N161 N162 | I154-I158 HydrophobicContact CG2-CD1 4.2Å; I154-I158 WeakPolarHBondContact O-CG1 3.42Å; I154-I158 PolarHBondContact O-N 3.2Å; I154-I158 VanDerWaalsContact O-N 3.16Å; Q155-I158 WeakPolarHBondContact O-CB 3.23Å; Q155-I158 PolarHBondContact O-N 3.07Å; Q155-I158 VanDerWaalsContact O-N 3.12Å; K156-I158 VanDerWaalsContact C-N 3.32Å; K156-I158 PolarHBondContact O-N 3.16Å; I158-N161 PolarHBondContact O-N 3.1Å; I158-N162 WeakPolarHBondContact O-CB 3.47Å; I158-N162 PolarHBondContact O-N 3.4Å; I158-N162 PolarHBondContact O-ND2 3.12Å |
| 159 | E | 98.3 | Very high | 98.3 | Very high | 88 Ų | 88 | 103.2 Ų | 103.2 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 178.4 | -74 | 175.2 | -171.6 | 0 | 0 | 112.1 | Q155 K156 N161 N162 N163 | Q155-E159 HydrophobicContact CG-CG 4.39Å; Q155-E159 WeakPolarHBondContact CG-OE1 3.38Å; Q155-E159 PolarHBondContact NE2-OE1 3.45Å; Q155-E159 WeakPolarHBondContact O-CG 3.45Å; Q155-E159 PolarHBondContact O-N 3.31Å; K156-E159 PolarHBondContact O-N 3.31Å; E159-N161 PolarHBondContact O-N 3.39Å; E159-N162 PolarHBondContact O-N 3.29Å; E159-N163 WeakPolarHBondContact O-CB 3.49Å; E159-N163 PolarHBondContact O-N 3.24Å; E159-N163 PolarHBondContact O-ND2 2.78Å; E159-N163 VanDerWaalsContact O-ND2 3.13Å |
| 160 | E | 98.3 | Very high | 98.3 | Very high | 113 Ų | 113 | 101.7 Ų | 101.7 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 176 | -75.6 | 177.1 | 179.2 | 0 | 0 | 111.7 | K156 N163 F164 | K156-E160 WeakPolarHBondContact CE-OE1 3.37Å; K156-E160 HydrophobicContact CG-CG 4.38Å; K156-E160 WeakPolarHBondContact O-CB 3.31Å; K156-E160 VanDerWaalsContact O-CG 3.31Å; K156-E160 WeakPolarHBondContact O-CG 3.33Å; K156-E160 PolarHBondContact O-N 3.17Å; E160-N163 PolarHBondContact O-N 3.48Å; E160-F164 WeakPolarHBondContact O-CB 3.43Å; E160-F164 PolarHBondContact O-N 3.33Å |
| 161 | N | 98.4 | Very high | 98.3 | Very high | 89 Ų | 89 | 104.8 Ų | 104.8 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 175.5 | -178.7 | 60.1 | 0 | 0 | 0 | 112.1 | A157 I158 E159 N163 F164 I165 | A157-N161 PolarHBondContact O-N 3.39Å; A157-N161 VanDerWaalsContact O-N 3.16Å; I158-N161 PolarHBondContact O-N 3.1Å; E159-N161 PolarHBondContact O-N 3.39Å; N161-N163 VanDerWaalsContact C-N 3.33Å; N161-N163 PolarHBondContact O-N 3.33Å; N161-F164 PolarHBondContact O-N 3.49Å; N161-I165 WeakPolarHBondContact O-CG1 3.42Å; N161-I165 PolarHBondContact O-N 3.14Å |
| 162 | N | 98.5 | Very high | 98.3 | Very high | 87 Ų | 87 | 104.1 Ų | 104.1 | 47% | 0.465 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 176.6 | -72.3 | -20.9 | 0 | 0 | 0 | 111.6 | I158 E159 I165 K166 | I158-N162 WeakPolarHBondContact O-CB 3.47Å; I158-N162 PolarHBondContact O-N 3.4Å; I158-N162 PolarHBondContact O-ND2 3.12Å; E159-N162 PolarHBondContact O-N 3.29Å; N162-I165 PolarHBondContact O-N 2.83Å; N162-K166 WeakPolarHBondContact O-CB 3.49Å; N162-K166 PolarHBondContact O-N 3.45Å |
| 163 | N | 98.4 | Very high | 98.3 | Very high | 93 Ų | 93 | 102 Ų | 102 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 175.5 | -73.9 | -31.3 | 0 | 0 | 0 | 111.5 | E159 E160 N161 K166 M167 | E159-N163 WeakPolarHBondContact O-CB 3.49Å; E159-N163 PolarHBondContact O-N 3.24Å; E159-N163 PolarHBondContact O-ND2 2.78Å; E159-N163 VanDerWaalsContact O-ND2 3.13Å; E160-N163 PolarHBondContact O-N 3.48Å; N161-N163 VanDerWaalsContact C-N 3.33Å; N161-N163 PolarHBondContact O-N 3.33Å; N163-K166 PolarHBondContact O-N 3.19Å; N163-M167 WeakPolarHBondContact O-CB 3.31Å; N163-M167 VanDerWaalsContact O-CG 3.27Å; N163-M167 WeakPolarHBondContact O-CG 3.46Å; N163-M167 PolarHBondContact O-N 3.13Å |
| 164 | F | 98.5 | Very high | 98.3 | Very high | 151 Ų | 151 | 104.7 Ų | 104.7 | 66% | 0.662 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.4 | -47.9 | 175.3 | 179.7 | -98.6 | 0 | 0 | 0 | 111.8 | E160 N161 K166 M167 A168 | E160-F164 WeakPolarHBondContact O-CB 3.43Å; E160-F164 PolarHBondContact O-N 3.33Å; N161-F164 PolarHBondContact O-N 3.49Å; F164-K166 VanDerWaalsContact C-N 3.33Å; F164-K166 PolarHBondContact O-N 3.25Å; F164-M167 PolarHBondContact O-N 3.14Å; F164-A168 VanDerWaalsContact O-CB 3.31Å; F164-A168 WeakPolarHBondContact O-CB 3.38Å; F164-A168 PolarHBondContact O-N 3.06Å |
| 165 | I | 98.3 | Very high | 98.4 | Very high | 90 Ų | 90 | 106.9 Ų | 106.9 | 46% | 0.462 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 177.7 | -67.7 | 166.6 | 0 | 0 | 0 | 110.7 | N161 N162 A168 K169 | N161-I165 WeakPolarHBondContact O-CG1 3.42Å; N161-I165 PolarHBondContact O-N 3.14Å; N162-I165 PolarHBondContact O-N 2.83Å; I165-A168 PolarHBondContact O-N 3.44Å; I165-K169 WeakPolarHBondContact O-CB 3.32Å; I165-K169 PolarHBondContact O-N 2.78Å |
| 166 | K | 98.5 | Very high | 98.3 | Very high | 119 Ų | 119 | 107.2 Ų | 107.2 | 52% | 0.517 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.9 | -52.1 | 177.7 | -178.2 | -179.3 | 173.4 | -175.5 | 0 | 111.4 | N162 N163 F164 A168 K169 E170 | N162-K166 WeakPolarHBondContact O-CB 3.49Å; N162-K166 PolarHBondContact O-N 3.45Å; N163-K166 PolarHBondContact O-N 3.19Å; F164-K166 VanDerWaalsContact C-N 3.33Å; F164-K166 PolarHBondContact O-N 3.25Å; K166-A168 VanDerWaalsContact C-N 3.33Å; K166-A168 PolarHBondContact O-N 3.14Å; K166-K169 PolarHBondContact O-N 2.95Å; K166-E170 WeakPolarHBondContact CE-OE1 3.41Å; K166-E170 WeakPolarHBondContact CG-OE1 3.45Å; K166-E170 WeakPolarHBondContact O-CG 3.41Å; K166-E170 PolarHBondContact O-N 3.1Å |
| 167 | M | 98.5 | Very high | 98.3 | Very high | 122 Ų | 122 | 106.2 Ų | 106.2 | 60% | 0.601 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.6 | -40.5 | 179.3 | -71 | -61.2 | -62.1 | 0 | 0 | 112.2 | N163 F164 K171 | N163-M167 WeakPolarHBondContact O-CB 3.31Å; N163-M167 VanDerWaalsContact O-CG 3.27Å; N163-M167 WeakPolarHBondContact O-CG 3.46Å; N163-M167 PolarHBondContact O-N 3.13Å; F164-M167 PolarHBondContact O-N 3.14Å; M167-K171 VanDerWaalsContact O-CB 3.27Å; M167-K171 WeakPolarHBondContact O-CB 3.47Å; M167-K171 PolarHBondContact O-N 3.47Å |
| 168 | A | 98.3 | Very high | 98.3 | Very high | 49 Ų | 49 | 106.1 Ų | 106.1 | 41% | 0.405 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F164 I165 K166 L172 | F164-A168 VanDerWaalsContact O-CB 3.31Å; F164-A168 WeakPolarHBondContact O-CB 3.38Å; F164-A168 PolarHBondContact O-N 3.06Å; I165-A168 PolarHBondContact O-N 3.44Å; K166-A168 VanDerWaalsContact C-N 3.33Å; K166-A168 PolarHBondContact O-N 3.14Å; A168-L172 WeakPolarHBondContact O-CB 3.47Å; A168-L172 PolarHBondContact O-N 3.32Å |
| 169 | K | 98.4 | Very high | 98.3 | Very high | 160 Ų | 160 | 106.5 Ų | 106.5 | 70% | 0.696 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.7 | -46.1 | 177.5 | -175.3 | -179.5 | 178.7 | -177.7 | 0 | 111.9 | I165 K166 L172 A173 | I165-K169 WeakPolarHBondContact O-CB 3.32Å; I165-K169 PolarHBondContact O-N 2.78Å; K166-K169 PolarHBondContact O-N 2.95Å; K169-L172 PolarHBondContact O-N 2.94Å; K169-A173 PolarHBondContact O-N 3.21Å |
| 170 | E | 98.2 | Very high | 98.3 | Very high | 82 Ų | 82 | 106.9 Ų | 106.9 | 38% | 0.383 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 178.1 | -74.1 | 173.6 | -174.9 | 0 | 0 | 111.3 | K166 L172 A173 Q174 | K166-E170 WeakPolarHBondContact CE-OE1 3.41Å; K166-E170 WeakPolarHBondContact CG-OE1 3.45Å; K166-E170 WeakPolarHBondContact O-CG 3.41Å; K166-E170 PolarHBondContact O-N 3.1Å; E170-L172 VanDerWaalsContact C-N 3.33Å; E170-L172 PolarHBondContact O-N 2.69Å; E170-A173 PolarHBondContact O-N 3.06Å; E170-Q174 WeakPolarHBondContact O-CG 3.33Å; E170-Q174 PolarHBondContact O-N 3.4Å |
| 171 | K | 98.5 | Very high | 98.2 | Very high | 156 Ų | 156 | 107.4 Ų | 107.4 | 68% | 0.678 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.6 | -38.3 | 177.5 | -169.7 | 172.6 | -174.6 | 174.6 | 0 | 112.4 | M167 K175 | M167-K171 VanDerWaalsContact O-CB 3.27Å; M167-K171 WeakPolarHBondContact O-CB 3.47Å; M167-K171 PolarHBondContact O-N 3.47Å; K171-K175 WeakPolarHBondContact O-CB 3.39Å; K171-K175 PolarHBondContact O-N 3.43Å |
| 172 | L | 98.4 | Very high | 98.2 | Very high | 108 Ų | 108 | 108 Ų | 108 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64 | -48.3 | 174.4 | 179.8 | 60.8 | 0 | 0 | 0 | 111 | A168 K169 E170 Q174 K175 M176 | A168-L172 WeakPolarHBondContact O-CB 3.47Å; A168-L172 PolarHBondContact O-N 3.32Å; K169-L172 PolarHBondContact O-N 2.94Å; E170-L172 VanDerWaalsContact C-N 3.33Å; E170-L172 PolarHBondContact O-N 2.69Å; L172-Q174 PolarHBondContact O-N 3.17Å; L172-K175 PolarHBondContact O-N 3.32Å; L172-M176 HydrophobicContact CD1-CG 4.39Å; L172-M176 WeakPolarHBondContact O-CG 3.46Å; L172-M176 PolarHBondContact O-N 2.67Å |
| 173 | A | 98.2 | Very high | 98.2 | Very high | 60 Ų | 60 | 111.6 Ų | 111.6 | 50% | 0.496 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.3 | -46 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K169 E170 K175 M176 E177 | K169-A173 PolarHBondContact O-N 3.21Å; E170-A173 PolarHBondContact O-N 3.06Å; A173-K175 VanDerWaalsContact C-N 3.33Å; A173-K175 PolarHBondContact O-N 3.21Å; A173-M176 PolarHBondContact O-N 3.08Å; A173-E177 PolarHBondContact O-N 2.81Å |
| 174 | Q | 98.3 | Very high | 98.1 | Very high | 134 Ų | 134 | 112 Ų | 112 | 63% | 0.626 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.4 | -42.2 | 175.4 | -73.7 | 175.1 | 3.9 | 0 | 0 | 112.3 | E170 L172 M176 E177 S178 | E170-Q174 WeakPolarHBondContact O-CG 3.33Å; E170-Q174 PolarHBondContact O-N 3.4Å; L172-Q174 PolarHBondContact O-N 3.17Å; Q174-M176 VanDerWaalsContact C-N 3.34Å; Q174-M176 PolarHBondContact O-N 3.13Å; Q174-E177 PolarHBondContact O-N 3.35Å; Q174-S178 WeakPolarHBondContact O-CB 3.43Å; Q174-S178 PolarHBondContact O-N 3.29Å |
| 175 | K | 98.4 | Very high | 98.1 | Very high | 157 Ų | 157 | 107.5 Ų | 107.5 | 68% | 0.683 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.5 | -37.9 | 178.5 | -171.1 | 176.1 | -179.4 | -178.5 | 0 | 112.1 | K171 L172 A173 N179 | K171-K175 WeakPolarHBondContact O-CB 3.39Å; K171-K175 PolarHBondContact O-N 3.43Å; L172-K175 PolarHBondContact O-N 3.32Å; A173-K175 VanDerWaalsContact C-N 3.33Å; A173-K175 PolarHBondContact O-N 3.21Å; K175-N179 WeakPolarHBondContact O-CB 3.49Å; K175-N179 PolarHBondContact O-N 3.17Å |
| 176 | M | 98 | Very high | 98 | Very high | 117 Ų | 117 | 108.8 Ų | 108.8 | 58% | 0.576 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.4 | -43.1 | 176.3 | -65.7 | -54.1 | -64.6 | 0 | 0 | 111.6 | L172 A173 Q174 N179 K180 | L172-M176 HydrophobicContact CD1-CG 4.39Å; L172-M176 WeakPolarHBondContact O-CG 3.46Å; L172-M176 PolarHBondContact O-N 2.67Å; A173-M176 PolarHBondContact O-N 3.08Å; Q174-M176 VanDerWaalsContact C-N 3.34Å; Q174-M176 PolarHBondContact O-N 3.13Å; M176-N179 PolarHBondContact O-N 2.98Å; M176-K180 WeakPolarHBondContact O-CB 3.44Å; M176-K180 PolarHBondContact O-N 3.46Å |
| 177 | E | 97.8 | Very high | 97.9 | Very high | 102 Ų | 102 | 106.4 Ų | 106.4 | 48% | 0.477 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 178.7 | -162.6 | 60.4 | -148.8 | 0 | 0 | 111.5 | A173 Q174 N179 K180 E181 | A173-E177 PolarHBondContact O-N 2.81Å; Q174-E177 PolarHBondContact O-N 3.35Å; E177-N179 VanDerWaalsContact C-N 3.31Å; E177-N179 PolarHBondContact O-N 3.1Å; E177-K180 WeakPolarHBondContact O-CB 3.37Å; E177-K180 PolarHBondContact O-N 2.84Å; E177-K180 IonicContact OE1-NZ 3.84Å; E177-K180 PolarHBondContact OE1-NZ 3.35Å; E177-E181 WeakPolarHBondContact O-CB 3.37Å; E177-E181 PolarHBondContact O-N 3.32Å |
| 178 | S | 97.6 | Very high | 97.9 | Very high | 56 Ų | 56 | 103.2 Ų | 103.2 | 39% | 0.392 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 175.2 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | Q174 N182 | Q174-S178 WeakPolarHBondContact O-CB 3.43Å; Q174-S178 PolarHBondContact O-N 3.29Å; S178-N182 VanDerWaalsContact O-CB 3.27Å; S178-N182 WeakPolarHBondContact O-CB 3.12Å; S178-N182 PolarHBondContact O-N 2.89Å; S178-N182 PolarHBondContact O-ND2 2.75Å |
| 179 | N | 97.8 | Very high | 97.8 | Very high | 103 Ų | 103 | 102.5 Ų | 102.5 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65 | -41.8 | 175.6 | -175.8 | -102.8 | 0 | 0 | 0 | 112.2 | K175 M176 E177 R183 | K175-N179 WeakPolarHBondContact O-CB 3.49Å; K175-N179 PolarHBondContact O-N 3.17Å; M176-N179 PolarHBondContact O-N 2.98Å; E177-N179 VanDerWaalsContact C-N 3.31Å; E177-N179 PolarHBondContact O-N 3.1Å; N179-R183 WeakPolarHBondContact O-CB 3.31Å; N179-R183 PolarHBondContact O-N 3.21Å |
| 180 | K | 98.2 | Very high | 97.6 | Very high | 97 Ų | 97 | 99 Ų | 99 | 42% | 0.422 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -50.3 | 176.8 | 179.7 | -172.9 | 161.7 | -149 | 0 | 111.3 | M176 E177 N182 R183 E184 | M176-K180 WeakPolarHBondContact O-CB 3.44Å; M176-K180 PolarHBondContact O-N 3.46Å; E177-K180 WeakPolarHBondContact O-CB 3.37Å; E177-K180 PolarHBondContact O-N 2.84Å; E177-K180 IonicContact OE1-NZ 3.84Å; E177-K180 PolarHBondContact OE1-NZ 3.35Å; K180-N182 PolarHBondContact O-N 3.22Å; K180-R183 WeakPolarHBondContact O-CB 2.93Å; K180-R183 PolarHBondContact O-N 3.49Å; K180-R183 VanDerWaalsContact O-N 3.14Å; K180-E184 WeakPolarHBondContact CE-OE1 3.48Å; K180-E184 WeakPolarHBondContact CG-OE1 3.33Å; K180-E184 WeakPolarHBondContact O-CG 3.47Å; K180-E184 PolarHBondContact O-N 2.88Å |
| 181 | E | 97.6 | Very high | 97.4 | Very high | 123 Ų | 123 | 100 Ų | 100 | 58% | 0.575 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.4 | -45.7 | 177.4 | -174.3 | -177.8 | -175.4 | 0 | 0 | 111.4 | E177 R183 E184 A185 | E177-E181 WeakPolarHBondContact O-CB 3.37Å; E177-E181 PolarHBondContact O-N 3.32Å; E181-R183 VanDerWaalsContact C-N 3.31Å; E181-R183 PolarHBondContact O-N 3.48Å; E181-E184 PolarHBondContact O-N 2.98Å; E181-A185 VanDerWaalsContact O-CB 3.31Å; E181-A185 WeakPolarHBondContact O-CB 3.13Å; E181-A185 PolarHBondContact O-N 2.96Å |
| 182 | N | 97.8 | Very high | 97.1 | Very high | 102 Ų | 102 | 98.1 Ų | 98.1 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 176.4 | -75.8 | -31.3 | 0 | 0 | 0 | 112.5 | S178 K180 H186 | S178-N182 VanDerWaalsContact O-CB 3.27Å; S178-N182 WeakPolarHBondContact O-CB 3.12Å; S178-N182 PolarHBondContact O-N 2.89Å; S178-N182 PolarHBondContact O-ND2 2.75Å; K180-N182 PolarHBondContact O-N 3.22Å; N182-H186 WeakPolarHBondContact O-CB 3.49Å; N182-H186 PolarHBondContact O-N 2.98Å |
| 183 | R | 97.6 | Very high | 96.9 | Very high | 162 Ų | 162 | 98.9 Ų | 98.9 | 61% | 0.611 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.5 | -44.8 | 177.1 | -175.6 | 178.7 | -177.9 | -81.2 | -2.1 | 111.1 | N179 K180 E181 H186 L187 | N179-R183 WeakPolarHBondContact O-CB 3.31Å; N179-R183 PolarHBondContact O-N 3.21Å; K180-R183 WeakPolarHBondContact O-CB 2.93Å; K180-R183 PolarHBondContact O-N 3.49Å; K180-R183 VanDerWaalsContact O-N 3.14Å; E181-R183 VanDerWaalsContact C-N 3.31Å; E181-R183 PolarHBondContact O-N 3.48Å; R183-H186 PolarHBondContact O-N 3.11Å; R183-L187 HydrophobicContact CG-CD1 4.21Å; R183-L187 VanDerWaalsContact O-CG 3.29Å; R183-L187 WeakPolarHBondContact O-CG 3.01Å; R183-L187 PolarHBondContact O-N 2.79Å |
| 184 | E | 97.7 | Very high | 96.5 | Very high | 102 Ų | 102 | 100.9 Ų | 100.9 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 178 | -73 | 174.1 | -175.9 | 0 | 0 | 111.3 | K180 E181 H186 L187 A188 | K180-E184 WeakPolarHBondContact CE-OE1 3.48Å; K180-E184 WeakPolarHBondContact CG-OE1 3.33Å; K180-E184 WeakPolarHBondContact O-CG 3.47Å; K180-E184 PolarHBondContact O-N 2.88Å; E181-E184 PolarHBondContact O-N 2.98Å; E184-H186 PolarHBondContact O-N 2.81Å; E184-L187 PolarHBondContact O-N 2.78Å; E184-A188 VanDerWaalsContact O-CB 3.29Å; E184-A188 WeakPolarHBondContact O-CB 3.27Å; E184-A188 PolarHBondContact O-N 3.35Å |
| 185 | A | 97.5 | Very high | 96 | Very high | 57 Ų | 57 | 99.8 Ų | 99.8 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E181 A188 A189 | E181-A185 VanDerWaalsContact O-CB 3.31Å; E181-A185 WeakPolarHBondContact O-CB 3.13Å; E181-A185 PolarHBondContact O-N 2.96Å; A185-A188 PolarHBondContact O-N 2.87Å; A185-A189 VanDerWaalsContact O-CB 3.3Å; A185-A189 WeakPolarHBondContact O-CB 3.4Å; A185-A189 PolarHBondContact O-N 3.22Å |
| 186 | H | 97.4 | Very high | 95.4 | Very high | 116 Ų | 116 | 99.2 Ų | 99.2 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 176.5 | -178.3 | -83.3 | 0 | 0 | 0 | 112.3 | N182 R183 E184 M190 | N182-H186 WeakPolarHBondContact O-CB 3.49Å; N182-H186 PolarHBondContact O-N 2.98Å; R183-H186 PolarHBondContact O-N 3.11Å; E184-H186 PolarHBondContact O-N 2.81Å; H186-M190 PolarHBondContact O-N 3.36Å; H186-M190 VanDerWaalsContact O-N 3.08Å |
| 187 | L | 96.7 | Very high | 94.8 | Very high | 70 Ų | 70 | 101.8 Ų | 101.8 | 37% | 0.366 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 176.3 | -70.6 | 172.6 | 0 | 0 | 0 | 111.6 | R183 E184 M190 L191 | R183-L187 HydrophobicContact CG-CD1 4.21Å; R183-L187 VanDerWaalsContact O-CG 3.29Å; R183-L187 WeakPolarHBondContact O-CG 3.01Å; R183-L187 PolarHBondContact O-N 2.79Å; E184-L187 PolarHBondContact O-N 2.78Å; L187-M190 WeakPolarHBondContact O-CB 3.36Å; L187-M190 PolarHBondContact O-N 3.46Å; L187-L191 WeakPolarHBondContact O-CG 3.39Å; L187-L191 PolarHBondContact O-N 2.77Å |
| 188 | A | 96.7 | Very high | 93.7 | Very high | 55 Ų | 55 | 103 Ų | 103 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.2 | -47.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E184 A185 M190 L191 E192 | E184-A188 VanDerWaalsContact O-CB 3.29Å; E184-A188 WeakPolarHBondContact O-CB 3.27Å; E184-A188 PolarHBondContact O-N 3.35Å; A185-A188 PolarHBondContact O-N 2.87Å; A188-M190 VanDerWaalsContact C-N 3.26Å; A188-M190 PolarHBondContact O-N 2.93Å; A188-L191 PolarHBondContact O-N 2.7Å; A188-L191 VanDerWaalsContact O-N 3.14Å; A188-E192 WeakPolarHBondContact O-CB 3.18Å; A188-E192 PolarHBondContact O-N 3.29Å |
| 189 | A | 96.4 | Very high | 92.4 | Very high | 34 Ų | 34 | 104.3 Ų | 104.3 | 28% | 0.281 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -32.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A185 R193 | A185-A189 VanDerWaalsContact O-CB 3.3Å; A185-A189 WeakPolarHBondContact O-CB 3.4Å; A185-A189 PolarHBondContact O-N 3.22Å; A189-R193 WeakPolarHBondContact O-CG 3.25Å; A189-R193 PolarHBondContact O-N 2.81Å; A189-R193 PolarHBondContact O-NH1 2.95Å; A189-R193 VanDerWaalsContact O-NH1 3.09Å |
| 190 | M | 94.6 | Very high | 90.8 | Very high | 85 Ų | 85 | 105.5 Ų | 105.5 | 42% | 0.419 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.6 | -44.8 | 173.4 | -176.7 | -178.3 | -67.9 | 0 | 0 | 111.7 | H186 L187 A188 R193 L194 | H186-M190 PolarHBondContact O-N 3.36Å; H186-M190 VanDerWaalsContact O-N 3.08Å; L187-M190 WeakPolarHBondContact O-CB 3.36Å; L187-M190 PolarHBondContact O-N 3.46Å; A188-M190 VanDerWaalsContact C-N 3.26Å; A188-M190 PolarHBondContact O-N 2.93Å; M190-R193 PolarHBondContact O-N 3.18Å; M190-L194 WeakPolarHBondContact O-CG 3.38Å; M190-L194 PolarHBondContact O-N 3.13Å |
| 191 | L | 94.3 | Very high | 89.2 | Confident | 103 Ų | 103 | 105.6 Ų | 105.6 | 54% | 0.539 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.1 | -40.5 | 178.6 | -70.6 | 170.6 | 0 | 0 | 0 | 112 | L187 A188 L194 Q195 | L187-L191 WeakPolarHBondContact O-CG 3.39Å; L187-L191 PolarHBondContact O-N 2.77Å; A188-L191 PolarHBondContact O-N 2.7Å; A188-L191 VanDerWaalsContact O-N 3.14Å; L191-L194 WeakPolarHBondContact O-CB 3.41Å; L191-L194 PolarHBondContact O-N 3.31Å; L191-L194 VanDerWaalsContact O-N 3.14Å; L191-Q195 WeakPolarHBondContact O-CG 3.41Å; L191-Q195 PolarHBondContact O-N 3.04Å |
| 192 | E | 92.8 | Very high | 87.5 | Confident | 117 Ų | 117 | 103.2 Ų | 103.2 | 55% | 0.547 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.4 | -46.8 | 177 | -173.5 | 172.8 | -149.9 | 0 | 0 | 111.6 | A188 L194 Q195 E196 | A188-E192 WeakPolarHBondContact O-CB 3.18Å; A188-E192 PolarHBondContact O-N 3.29Å; E192-L194 PolarHBondContact O-N 2.91Å; E192-Q195 PolarHBondContact O-N 2.96Å; E192-Q195 VanDerWaalsContact O-N 3.08Å; E192-E196 WeakPolarHBondContact O-CG 3.38Å; E192-E196 PolarHBondContact O-N 3.25Å |
| 193 | R | 93.4 | Very high | 85.4 | Confident | 125 Ų | 125 | 110.1 Ų | 110.1 | 47% | 0.472 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.7 | -26.8 | 175 | -72.3 | -170.7 | -56.3 | -91.1 | 5.3 | 114 | A189 M190 K197 | A189-R193 WeakPolarHBondContact O-CG 3.25Å; A189-R193 PolarHBondContact O-N 2.81Å; A189-R193 PolarHBondContact O-NH1 2.95Å; A189-R193 VanDerWaalsContact O-NH1 3.09Å; M190-R193 PolarHBondContact O-N 3.18Å; R193-K197 WeakPolarHBondContact O-CG 3.35Å |
| 194 | L | 90.8 | Very high | 84.8 | Confident | 102 Ų | 102 | 107.5 Ų | 107.5 | 53% | 0.534 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -79 | -42.5 | 174.1 | -66 | 173.3 | 0 | 0 | 0 | 110.7 | M190 L191 E192 E196 K197 E198 | M190-L194 WeakPolarHBondContact O-CG 3.38Å; M190-L194 PolarHBondContact O-N 3.13Å; L191-L194 WeakPolarHBondContact O-CB 3.41Å; L191-L194 PolarHBondContact O-N 3.31Å; L191-L194 VanDerWaalsContact O-N 3.14Å; E192-L194 PolarHBondContact O-N 2.91Å; L194-E196 VanDerWaalsContact C-N 3.31Å; L194-E196 PolarHBondContact O-N 3.43Å; L194-K197 WeakPolarHBondContact O-CB 2.92Å; L194-K197 PolarHBondContact O-N 2.79Å; L194-E198 PolarHBondContact O-N 3.31Å |
| 195 | Q | 88 | Confident | 84.1 | Confident | 110 Ų | 110 | 107.8 Ų | 107.8 | 51% | 0.514 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.6 | -28.4 | 177.5 | -72.5 | -179.9 | 0.9 | 0 | 0 | 113.9 | L191 E192 K197 | L191-Q195 WeakPolarHBondContact O-CG 3.41Å; L191-Q195 PolarHBondContact O-N 3.04Å; E192-Q195 PolarHBondContact O-N 2.96Å; E192-Q195 VanDerWaalsContact O-N 3.08Å; Q195-K197 VanDerWaalsContact C-N 3.31Å |
| 196 | E | 85.5 | Confident | 83.4 | Confident | 146 Ų | 146 | 110.6 Ų | 110.6 | 68% | 0.682 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -24.6 | 171.9 | -72.9 | -179.4 | 162.3 | 0 | 0 | 112.9 | E192 L194 | E192-E196 WeakPolarHBondContact O-CG 3.38Å; E192-E196 PolarHBondContact O-N 3.25Å; L194-E196 VanDerWaalsContact C-N 3.31Å; L194-E196 PolarHBondContact O-N 3.43Å |
| 197 | K | 84.8 | Confident | 82.5 | Confident | 171 Ų | 171 | 110.3 Ų | 110.3 | 74% | 0.743 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -14.5 | 175.6 | -69.8 | 175 | -178.5 | -69.5 | 0 | 112.8 | R193 L194 Q195 | R193-K197 WeakPolarHBondContact O-CG 3.35Å; L194-K197 WeakPolarHBondContact O-CB 2.92Å; L194-K197 PolarHBondContact O-N 2.79Å; Q195-K197 VanDerWaalsContact C-N 3.31Å |
| 198 | E | 74.9 | Confident | 81.7 | Confident | 127 Ų | 127 | 112.8 Ų | 112.8 | 59% | 0.593 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -69.4 | 127 | 173.6 | -68.7 | -99.7 | 133.3 | 0 | 0 | 109.1 | L194 | L194-E198 PolarHBondContact O-N 3.31Š|
| 199 | P | 69.3 | Low | 80.6 | Confident | 84 Ų | 84 | 116.7 Ų | 116.7 | 55% | 0.545 | 60% | 0.604 | S | S | . | * | trans | -60.4 | 144.4 | -178.8 | 22.9 | -30.9 | 0 | 0 | 0 | 110.7 | A201 A202 | P199-A201 PolarHBondContact O-N 3.12Å; P199-A202 PolarHBondContact O-N 3.11Å | ||
| 200 | P | 66 | Low | 79.5 | Confident | 127 Ų | 127 | 122.6 Ų | 122.6 | 83% | 0.825 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -57.5 | -7.3 | -178.6 | -23.9 | 31.5 | 0 | 0 | 0 | 115.7 | A202 | P200-A202 VanDerWaalsContact C-N 3.32Å; P200-A202 PolarHBondContact O-N 2.8Å |
| 201 | A | 64.1 | Low | 78.4 | Confident | 99 Ų | 99 | 125.5 Ų | 125.5 | 82% | 0.818 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -84.7 | 6.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | P199 | P199-A201 PolarHBondContact O-N 3.12Š|
| 202 | A | 62.3 | Low | 77 | Confident | 74 Ų | 74 | 127.3 Ų | 127.3 | 61% | 0.612 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -125.8 | 9.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.2 | P199 P200 | P199-A202 PolarHBondContact O-N 3.11Å; P200-A202 VanDerWaalsContact C-N 3.32Å; P200-A202 PolarHBondContact O-N 2.8Å |
| 203 | R | 52.6 | Low | 75.6 | Confident | 246 Ų | 246 | 128.3 Ų | 128.3 | 93% | 0.928 | 66% | 0.661 | S | S | * | * | trans | -103 | 0 | 166.7 | -69.5 | -173.7 | -172.4 | -166.5 | 3.4 | 109.9 |
Retrieved 203 of 203 residues in 49.1 ms
(Link to these results)