| 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 | 52.1 | Low | 69 | Low | 190 Ų | 190 | 107 Ų | 107 | 94% | 0.936 | 54% | 0.544 | S | S | * | . | 0 | 109.3 | 0 | -76.2 | -92.5 | -83.3 | 0 | 0 | 107.4 | |||||
| 2 | T | 66.6 | Low | 69.2 | Low | 98 Ų | 98 | 111.3 Ų | 111.3 | 60% | 0.601 | 56% | 0.561 | S | S | * | * | trans | -74.2 | 148.4 | 177.8 | 53.9 | 0 | 0 | 0 | 0 | 109.4 | A4 A5 Y6 | T2-A4 PolarHBondContact O-N 3.06Å; T2-A4 VanDerWaalsContact O-N 3.13Å; T2-A5 PolarHBondContact O-N 3.07Å; T2-Y6 PolarHBondContact O-N 3Å; T2-Y6 VanDerWaalsContact O-N 3.13Å | ||
| 3 | L | 64.6 | Low | 69.3 | Low | 151 Ų | 151 | 110.5 Ų | 110.5 | 79% | 0.791 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -56.2 | -32.1 | -178.7 | -145.2 | 158.8 | 0 | 0 | 0 | 111.5 | Y6 K7 | L3-Y6 PolarHBondContact O-N 3.06Å; L3-K7 PolarHBondContact O-N 3.33Å; L3-K7 VanDerWaalsContact O-N 3.08Å |
| 4 | A | 69.1 | Low | 68.8 | Low | 68 Ų | 68 | 110.9 Ų | 110.9 | 56% | 0.562 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.9 | -45.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T2 Y6 K7 E8 | T2-A4 PolarHBondContact O-N 3.06Å; T2-A4 VanDerWaalsContact O-N 3.13Å; A4-Y6 VanDerWaalsContact C-N 3.33Å; A4-Y6 PolarHBondContact O-N 3.07Å; A4-K7 PolarHBondContact O-N 3.28Å; A4-E8 PolarHBondContact O-N 2.8Å; A4-E8 VanDerWaalsContact O-N 3.15Å |
| 5 | A | 72.9 | Confident | 68.3 | Low | 42 Ų | 42 | 110.7 Ų | 110.7 | 35% | 0.347 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.6 | -32.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T2 K9 | T2-A5 PolarHBondContact O-N 3.07Å; A5-K9 PolarHBondContact O-N 3.14Å |
| 6 | Y | 71.1 | Confident | 68.2 | Low | 147 Ų | 147 | 105.4 Ų | 105.4 | 58% | 0.576 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.8 | -44.3 | 172.7 | 178.9 | -100 | 0 | 0 | 0 | 111.5 | T2 L3 A4 E8 K9 V10 | T2-Y6 PolarHBondContact O-N 3Å; T2-Y6 VanDerWaalsContact O-N 3.13Å; L3-Y6 PolarHBondContact O-N 3.06Å; A4-Y6 VanDerWaalsContact C-N 3.33Å; A4-Y6 PolarHBondContact O-N 3.07Å; Y6-E8 VanDerWaalsContact C-N 3.32Å; Y6-E8 PolarHBondContact O-N 3.22Å; Y6-K9 PolarHBondContact O-N 3.19Å; Y6-V10 HydrophobicContact CD1-CG2 4.24Å; Y6-V10 HydrophobicContact CE1-CG2 3.86Å; Y6-V10 HydrophobicContact CE2-CG2 4.28Å; Y6-V10 WeakPolarHBondContact O-CG2 3.21Å; Y6-V10 PolarHBondContact O-N 3.06Å; Y6-V10 VanDerWaalsContact O-N 3.12Å |
| 7 | K | 72.8 | Confident | 67.7 | Low | 97 Ų | 97 | 104.2 Ų | 104.2 | 42% | 0.422 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.5 | -40 | 178.1 | -171.1 | 178.2 | -179.2 | 180 | 0 | 112.5 | L3 A4 V10 K11 L23 | L3-K7 PolarHBondContact O-N 3.33Å; L3-K7 VanDerWaalsContact O-N 3.08Å; A4-K7 PolarHBondContact O-N 3.28Å; K7-V10 PolarHBondContact O-N 3.04Å; K7-K11 PolarHBondContact O-N 3.34Å; K7-L23 HydrophobicContact CG-CD2 4.44Å |
| 8 | E | 72.3 | Confident | 67.4 | Low | 107 Ų | 107 | 106.1 Ų | 106.1 | 50% | 0.5 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.1 | -47.7 | 175.8 | -75.9 | -76.8 | 110.9 | 0 | 0 | 111.7 | A4 Y6 V10 K11 | A4-E8 PolarHBondContact O-N 2.8Å; A4-E8 VanDerWaalsContact O-N 3.15Å; Y6-E8 VanDerWaalsContact C-N 3.32Å; Y6-E8 PolarHBondContact O-N 3.22Å; E8-V10 PolarHBondContact O-N 3.37Å; E8-K11 WeakPolarHBondContact O-CB 3.5Å; E8-K11 PolarHBondContact O-N 3.05Å; E8-K11 VanDerWaalsContact O-N 3.12Å; E8-K11 IonicContact OE1-NZ 2.82Å; E8-K11 PolarHBondContact OE1-NZ 2.77Å |
| 9 | K | 73.5 | Confident | 67.3 | Low | 155 Ų | 155 | 109.4 Ų | 109.4 | 67% | 0.674 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62 | -30.3 | 177.6 | -85 | -149.7 | 174.1 | -167.8 | 0 | 114.2 | A5 Y6 K11 | A5-K9 PolarHBondContact O-N 3.14Å; Y6-K9 PolarHBondContact O-N 3.19Å; K9-K11 VanDerWaalsContact C-N 3.35Å |
| 10 | V | 73.5 | Confident | 67 | Low | 29 Ų | 29 | 106.3 Ų | 106.3 | 18% | 0.176 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -71.6 | -31.3 | 178.3 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | Y6 K7 E8 E12 L13 V16 | Y6-V10 HydrophobicContact CD1-CG2 4.24Å; Y6-V10 HydrophobicContact CE1-CG2 3.86Å; Y6-V10 HydrophobicContact CE2-CG2 4.28Å; Y6-V10 WeakPolarHBondContact O-CG2 3.21Å; Y6-V10 PolarHBondContact O-N 3.06Å; Y6-V10 VanDerWaalsContact O-N 3.12Å; K7-V10 PolarHBondContact O-N 3.04Å; E8-V10 PolarHBondContact O-N 3.37Å; V10-E12 VanDerWaalsContact C-N 3.27Å; V10-E12 PolarHBondContact O-N 3.17Å; V10-L13 PolarHBondContact O-N 2.88Å; V10-V16 HydrophobicContact CG1-CG1 4.34Å; V10-V16 HydrophobicContact CG1-CG2 3.82Å; V10-V16 WeakPolarHBondContact O-CG1 3.43Å; V10-V16 WeakPolarHBondContact O-CG2 3.36Å |
| 11 | K | 71.1 | Confident | 66.6 | Low | 93 Ų | 93 | 106.3 Ų | 106.3 | 40% | 0.404 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.6 | -26.4 | 176.7 | -66.6 | 173.3 | -174.4 | 169.7 | 0 | 113.6 | K7 E8 K9 L13 | K7-K11 PolarHBondContact O-N 3.34Å; E8-K11 WeakPolarHBondContact O-CB 3.5Å; E8-K11 PolarHBondContact O-N 3.05Å; E8-K11 VanDerWaalsContact O-N 3.12Å; E8-K11 IonicContact OE1-NZ 2.82Å; E8-K11 PolarHBondContact OE1-NZ 2.77Å; K9-K11 VanDerWaalsContact C-N 3.35Å; K11-L13 PolarHBondContact O-N 2.72Å |
| 12 | E | 70.8 | Confident | 67.2 | Low | 159 Ų | 159 | 102.2 Ų | 102.2 | 74% | 0.743 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -7.3 | 179.4 | -62.9 | -65 | 151.6 | 0 | 0 | 113.1 | V10 | V10-E12 VanDerWaalsContact C-N 3.27Å; V10-E12 PolarHBondContact O-N 3.17Å |
| 13 | L | 70.9 | Confident | 67 | Low | 100 Ų | 100 | 99.9 Ų | 99.9 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -79 | 131.3 | 176.1 | -70.7 | 164.6 | 0 | 0 | 0 | 110.1 | V10 K11 L15 V16 | V10-L13 PolarHBondContact O-N 2.88Å; K11-L13 PolarHBondContact O-N 2.72Å; L13-L15 PolarHBondContact O-N 2.84Å; L13-V16 HydrophobicContact CB-CG2 4.19Å; L13-V16 PolarHBondContact O-N 2.81Å |
| 14 | P | 61.6 | Low | 66.6 | Low | 116 Ų | 116 | 96.9 Ų | 96.9 | 75% | 0.753 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 139.7 | 175.1 | 23.9 | -30.8 | 0 | 0 | 0 | 109.8 | V16 | P14-V16 PolarHBondContact O-N 3.37Š|
| 15 | L | 62.3 | Low | 66 | Low | 109 Ų | 109 | 99 Ų | 99 | 57% | 0.571 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | -1.3 | -179.9 | -53.8 | 161.5 | 0 | 0 | 0 | 117 | L13 S17 L18 F19 | L13-L15 PolarHBondContact O-N 2.84Å; L15-S17 PolarHBondContact O-N 2.82Å; L15-S17 VanDerWaalsContact O-N 3.16Å; L15-L18 HydrophobicContact CD2-CD2 4.49Å; L15-L18 WeakPolarHBondContact O-CB 3.15Å; L15-L18 PolarHBondContact O-N 2.99Å; L15-F19 HydrophobicContact CB-CE2 4.08Å; L15-F19 WeakPolarHBondContact O-CD2 3.23Å |
| 16 | V | 66.2 | Low | 64.9 | Low | 26 Ų | 26 | 104.4 Ų | 104.4 | 16% | 0.158 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -60.5 | -27.6 | 176.7 | 133.9 | 0 | 0 | 0 | 0 | 113.2 | V10 L13 P14 L18 F19 L23 | V10-V16 HydrophobicContact CG1-CG1 4.34Å; V10-V16 HydrophobicContact CG1-CG2 3.82Å; V10-V16 WeakPolarHBondContact O-CG1 3.43Å; V10-V16 WeakPolarHBondContact O-CG2 3.36Å; L13-V16 HydrophobicContact CB-CG2 4.19Å; L13-V16 PolarHBondContact O-N 2.81Å; P14-V16 PolarHBondContact O-N 3.37Å; V16-L18 PolarHBondContact O-N 2.92Å; V16-F19 PolarHBondContact O-N 3.11Å; V16-L23 HydrophobicContact CG1-CD1 4.42Å |
| 17 | S | 60.1 | Low | 63.8 | Low | 85 Ų | 85 | 103.6 Ų | 103.6 | 59% | 0.594 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.7 | -18.8 | 173.9 | 52.1 | 0 | 0 | 0 | 0 | 114.4 | L15 | L15-S17 PolarHBondContact O-N 2.82Å; L15-S17 VanDerWaalsContact O-N 3.16Å |
| 18 | L | 61.3 | Low | 62.4 | Low | 138 Ų | 138 | 103.5 Ų | 103.5 | 72% | 0.723 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -85.6 | -24.5 | 177.1 | -99.9 | 74.1 | 0 | 0 | 0 | 113.1 | L15 V16 | L15-L18 HydrophobicContact CD2-CD2 4.49Å; L15-L18 WeakPolarHBondContact O-CB 3.15Å; L15-L18 PolarHBondContact O-N 2.99Å; V16-L18 PolarHBondContact O-N 2.92Å |
| 19 | F | 65.8 | Low | 60.9 | Low | 168 Ų | 168 | 106.9 Ų | 106.9 | 74% | 0.737 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -89.4 | -22.3 | -168.7 | -70.1 | -74.2 | 0 | 0 | 0 | 113.8 | L15 V16 | L15-F19 HydrophobicContact CB-CE2 4.08Å; L15-F19 WeakPolarHBondContact O-CD2 3.23Å; V16-F19 PolarHBondContact O-N 3.11Å |
| 20 | C | 61.2 | Low | 59.3 | Low | 48 Ų | 48 | 107.6 Ų | 107.6 | 32% | 0.324 | 60% | 0.603 | S | S | . | * | trans | -163.4 | 119.4 | 179.2 | -162 | 0 | 0 | 0 | 0 | 113.9 | C22 L23 | C20-C22 PolarHBondContact O-N 2.7Å; C20-C22 VanDerWaalsContact O-N 3.11Å; C20-C22 VanDerWaalsContact SG-CB 3.54Å; C20-L23 HydrophobicContact CB-CD1 4.05Å; C20-L23 HydrophobicContact CB-CG 4.43Å; C20-L23 PolarHBondContact O-N 2.69Å | ||
| 21 | S | 60 | Low | 57.5 | Low | 107 Ų | 107 | 110.6 Ų | 110.6 | 75% | 0.748 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -15.8 | 173.2 | 8.6 | 0 | 0 | 0 | 0 | 113.7 | L23 | S21-L23 VanDerWaalsContact C-N 3.3Å; S21-L23 PolarHBondContact O-N 3.4Å |
| 22 | C | 62.9 | Low | 56.3 | Low | 103 Ų | 103 | 112.2 Ų | 112.2 | 70% | 0.696 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -14.8 | 177.6 | -51.9 | 0 | 0 | 0 | 0 | 113.8 | C20 | C20-C22 PolarHBondContact O-N 2.7Å; C20-C22 VanDerWaalsContact O-N 3.11Å; C20-C22 VanDerWaalsContact SG-CB 3.54Å |
| 23 | L | 63.4 | Low | 54.6 | Low | 50 Ų | 50 | 115.2 Ų | 115.2 | 26% | 0.262 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -95.2 | -18.8 | -176.7 | -72.7 | 165.3 | 0 | 0 | 0 | 113.5 | K7 V16 C20 S21 | K7-L23 HydrophobicContact CG-CD2 4.44Å; V16-L23 HydrophobicContact CG1-CD1 4.42Å; C20-L23 HydrophobicContact CB-CD1 4.05Å; C20-L23 HydrophobicContact CB-CG 4.43Å; C20-L23 PolarHBondContact O-N 2.69Å; S21-L23 VanDerWaalsContact C-N 3.3Å; S21-L23 PolarHBondContact O-N 3.4Å |
| 24 | N | 56.8 | Low | 52.8 | Low | 88 Ų | 88 | 118.7 Ų | 118.7 | 47% | 0.471 | 66% | 0.662 | S | S | . | * | trans | -142.9 | 89.2 | 173.8 | -160.5 | 13.2 | 0 | 0 | 0 | 109.3 | Q26 | N24-Q26 PolarHBondContact O-N 2.97Š| ||
| 25 | P | 56.6 | Low | 52.2 | Low | 112 Ų | 112 | 118 Ų | 118 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | trans | -75.3 | 71.4 | 173.9 | 31.2 | -31.8 | 0 | 0 | 0 | 108.6 | T27 | P25-T27 PolarHBondContact O-N 2.82Š| ||
| 26 | Q | 47.9 | Very low | 51.3 | Low | 155 Ų | 155 | 120.4 Ų | 120.4 | 72% | 0.724 | 68% | 0.675 | S | S | * | * | trans | -74.5 | 112.4 | 162.6 | -76.4 | -147.6 | 7.9 | 0 | 0 | 107.8 | N24 A28 | N24-Q26 PolarHBondContact O-N 2.97Å; Q26-A28 VanDerWaalsContact C-N 3.35Å; Q26-A28 PolarHBondContact O-N 3.31Å | ||
| 27 | T | 49.9 | Very low | 50 | Low | 131 Ų | 131 | 126.8 Ų | 126.8 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | trans | -55.4 | 94.8 | 164.2 | 44 | 0 | 0 | 0 | 0 | 108.9 | P25 E29 | P25-T27 PolarHBondContact O-N 2.82Å; T27-E29 VanDerWaalsContact C-N 3.35Å; T27-E29 PolarHBondContact O-N 2.78Å; T27-E29 VanDerWaalsContact O-N 3.16Å | ||
| 28 | A | 43.1 | Very low | 49.4 | Very low | 94 Ų | 94 | 127.9 Ų | 127.9 | 78% | 0.777 | 72% | 0.722 | S | S | * | * | trans | -77.2 | 95.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | Q26 | Q26-A28 VanDerWaalsContact C-N 3.35Å; Q26-A28 PolarHBondContact O-N 3.31Å | ||
| 29 | E | 40.5 | Very low | 48.4 | Very low | 179 Ų | 179 | 127.7 Ų | 127.7 | 84% | 0.836 | 73% | 0.726 | S | S | * | * | trans | -56.1 | 137.7 | 163.6 | -72.5 | -175.7 | 141.9 | 0 | 0 | 109.8 | T27 S31 | T27-E29 VanDerWaalsContact C-N 3.35Å; T27-E29 PolarHBondContact O-N 2.78Å; T27-E29 VanDerWaalsContact O-N 3.16Å; E29-S31 PolarHBondContact O-N 3.3Å | ||
| 30 | N | 40.2 | Very low | 47.3 | Very low | 169 Ų | 169 | 126.2 Ų | 126.2 | 90% | 0.904 | 73% | 0.726 | S | S | * | * | trans | -64.8 | 124.9 | 173.8 | -63.7 | -67.7 | 0 | 0 | 0 | 109.9 | ||||
| 31 | S | 35.3 | Very low | 46.6 | Very low | 93 Ų | 93 | 131.5 Ų | 131.5 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | trans | -130.1 | 128.7 | 163.8 | 178.2 | 0 | 0 | 0 | 0 | 109.3 | E29 Y33 | E29-S31 PolarHBondContact O-N 3.3Å; S31-Y33 PolarHBondContact O-N 3.44Å | ||
| 32 | P | 45.4 | Very low | 46.1 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -80.3 | 98.5 | 177.6 | 31.9 | -28.6 | 0 | 0 | 0 | 108.5 | ||||
| 33 | Y | 35.5 | Very low | 45.3 | Very low | 222 Ų | 222 | 135.5 Ų | 135.5 | 87% | 0.871 | 75% | 0.753 | S | S | * | * | trans | -89.2 | 130 | 176.4 | -136.6 | -96.6 | 0 | 0 | 0 | 111.1 | S31 | S31-Y33 PolarHBondContact O-N 3.44Š| ||
| 34 | K | 32.7 | Very low | 44.5 | Very low | 174 Ų | 174 | 138 Ų | 138 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | trans | -73.1 | 145.4 | -171.4 | -66.4 | -146.1 | 177.4 | -171.6 | 0 | 112.4 | E36 | K34-E36 PolarHBondContact O-N 3.36Å; K34-E36 VanDerWaalsContact O-N 3.14Å | ||
| 35 | A | 48.3 | Very low | 44 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -77.3 | 85.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 36 | E | 45.1 | Very low | 43.7 | Very low | 159 Ų | 159 | 141 Ų | 141 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | -147.9 | 77.3 | 168.5 | -33 | -106.7 | 169.2 | 0 | 0 | 107.3 | K34 | K34-E36 PolarHBondContact O-N 3.36Å; K34-E36 VanDerWaalsContact O-N 3.14Å | ||
| 37 | D | 38.5 | Very low | 44.2 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 178.7 | 108 | 150.2 | -92.7 | -20.4 | 0 | 0 | 0 | 107.8 | V39 | D37-V39 PolarHBondContact O-N 2.97Å; D37-V39 VanDerWaalsContact O-N 3.07Å |
| 38 | A | 47.8 | Very low | 45 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -62.8 | 107.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 39 | V | 39 | Very low | 46.8 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | -82.1 | 114.6 | 151.8 | -158.3 | 0 | 0 | 0 | 0 | 105.6 | D37 L41 | D37-V39 PolarHBondContact O-N 2.97Å; D37-V39 VanDerWaalsContact O-N 3.07Å; V39-L41 PolarHBondContact O-N 3.16Å | ||
| 40 | D | 43.2 | Very low | 48.8 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | -37.4 | 112.6 | 173.9 | -176.5 | 13.8 | 0 | 0 | 0 | 111.1 | G42 | D40-G42 PolarHBondContact O-N 3.44Å; D40-G42 PolarHBondContact OD1-N 3.29Å | ||
| 41 | L | 46.1 | Very low | 51 | Low | 159 Ų | 159 | 133.1 Ų | 133.1 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -69.6 | 12.1 | 174.4 | -83.3 | 155.4 | 0 | 0 | 0 | 112.1 | V39 W43 | V39-L41 PolarHBondContact O-N 3.16Å; L41-W43 PolarHBondContact O-N 3.29Å |
| 42 | G | 49.5 | Very low | 53.6 | Low | 61 Ų | 61 | 131.8 Ų | 131.8 | 63% | 0.629 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 13.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | D40 | D40-G42 PolarHBondContact O-N 3.44Å; D40-G42 PolarHBondContact OD1-N 3.29Å |
| 43 | W | 47.2 | Very low | 55.7 | Low | 233 Ų | 233 | 131.9 Ų | 131.9 | 88% | 0.883 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.6 | 46 | 171.9 | -157.9 | -68 | 0 | 0 | 0 | 112.4 | L41 | L41-W43 PolarHBondContact O-N 3.29Š|
| 44 | C | 45.9 | Very low | 58.3 | Low | 102 Ų | 102 | 126.6 Ų | 126.6 | 69% | 0.689 | 69% | 0.69 | S | S | * | * | trans | -157.3 | 61.4 | 163.8 | -109.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 45 | V | 45.8 | Very low | 61 | Low | 116 Ų | 116 | 121.8 Ų | 121.8 | 70% | 0.703 | 67% | 0.672 | S | S | * | * | trans | -105.1 | 83.9 | 151 | -176.3 | 0 | 0 | 0 | 0 | 105.2 | K47 | V45-K47 HydrophobicContact CG1-CB 4.11Å; V45-K47 HydrophobicContact CG1-CD 3.72Å; V45-K47 HydrophobicContact CG1-CG 3.57Å; V45-K47 PolarHBondContact O-N 2.96Å | ||
| 46 | M | 51.6 | Low | 63.1 | Low | 148 Ų | 148 | 121.9 Ų | 121.9 | 73% | 0.729 | 65% | 0.654 | S | S | * | * | trans | -68.5 | 75.3 | 160.8 | -70.3 | -164.5 | -56 | 0 | 0 | 107.1 | D48 | M46-D48 PolarHBondContact O-N 3.16Š| ||
| 47 | K | 56.6 | Low | 65.3 | Low | 168 Ų | 168 | 122.6 Ų | 122.6 | 73% | 0.73 | 65% | 0.65 | S | S | * | * | trans | -73 | 108.3 | 158.9 | -93.7 | 170.8 | -179.2 | -175.7 | 0 | 105.6 | V45 | V45-K47 HydrophobicContact CG1-CB 4.11Å; V45-K47 HydrophobicContact CG1-CD 3.72Å; V45-K47 HydrophobicContact CG1-CG 3.57Å; V45-K47 PolarHBondContact O-N 2.96Å | ||
| 48 | D | 68.8 | Low | 67.7 | Low | 132 Ų | 132 | 122.8 Ų | 122.8 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | trans | 89.6 | 75.7 | 154.8 | -42.8 | -33.9 | 0 | 0 | 0 | 115.3 | M46 E50 | M46-D48 PolarHBondContact O-N 3.16Å; D48-E50 PolarHBondContact O-N 2.95Å | ||
| 49 | V | 80.4 | Confident | 69.7 | Low | 74 Ų | 74 | 123.2 Ų | 123.2 | 45% | 0.448 | 65% | 0.653 | S | S | . | * | trans | -65.7 | 115.3 | 155.8 | 173.3 | 0 | 0 | 0 | 0 | 107.7 | V51 V65 L67 | V49-V51 HydrophobicContact CG1-CG2 4.22Å; V49-V65 HydrophobicContact CG1-CG1 3.91Å; V49-L67 HydrophobicContact CG1-CD2 4.14Å; V49-L67 HydrophobicContact CG2-CD2 4Å | ||
| 50 | E | 82.6 | Confident | 72.2 | Confident | 108 Ų | 108 | 118.7 Ų | 118.7 | 51% | 0.505 | 63% | 0.633 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.2 | 129.7 | 177.3 | -173.4 | 176.5 | -176.3 | 0 | 0 | 109.9 | D48 I52 V65 I66 | D48-E50 PolarHBondContact O-N 2.95Å; E50-I52 HydrophobicContact CG-CG1 4.34Å; E50-V65 WeakPolarHBondContact O-CA 3.23Å; E50-I66 HydrophobicContact CB-CB 4.35Å; E50-I66 PolarHBondContact N-O 2.83Å; E50-I66 PolarHBondContact O-N 3.12Å |
| 51 | V | 86.5 | Confident | 74.6 | Confident | 81 Ų | 81 | 118.5 Ų | 118.5 | 49% | 0.491 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.3 | 115 | 177.5 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | V49 F63 E64 V65 | V49-V51 HydrophobicContact CG1-CG2 4.22Å; V51-F63 HydrophobicContact CG1-CB 3.92Å; V51-F63 HydrophobicContact CG1-CD2 3.67Å; V51-F63 HydrophobicContact CG1-CE2 4.48Å; V51-F63 HydrophobicContact CG1-CG 4Å; V51-E64 CarbonylContact C-O 3.55Å; V51-E64 WeakPolarHBondContact CA-O 3.44Å; V51-V65 HydrophobicContact CG1-CG2 4.5Å; V51-V65 HydrophobicContact CG2-CG1 4.42Å; V51-V65 HydrophobicContact CG2-CG2 4.29Å |
| 52 | I | 89.3 | Confident | 76.9 | Confident | 65 Ų | 65 | 113.1 Ų | 113.1 | 33% | 0.333 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.9 | 110.9 | 177.8 | -56.2 | 174.4 | 0 | 0 | 0 | 107.9 | E50 L54 F63 E64 I66 | E50-I52 HydrophobicContact CG-CG1 4.34Å; I52-L54 PolarHBondContact O-N 3.49Å; I52-F63 CarbonylContact O-C 3.5Å; I52-F63 VanDerWaalsContact O-CA 3.23Å; I52-F63 WeakPolarHBondContact O-CA 3.43Å; I52-F63 WeakPolarHBondContact O-CB 3.3Å; I52-E64 HydrophobicContact CB-CB 4.35Å; I52-E64 PolarHBondContact N-O 3.39Å; I52-E64 PolarHBondContact O-N 2.82Å; I52-I66 HydrophobicContact CD1-CD1 3.96Å |
| 53 | E | 88.6 | Confident | 79 | Confident | 128 Ų | 128 | 115.9 Ų | 115.9 | 60% | 0.598 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.2 | 124.5 | 176.1 | -60.8 | -167.1 | 159 | 0 | 0 | 110.6 | K56 | E53-K56 IonicContact OE1-NZ 2.69Å; E53-K56 PolarHBondContact OE1-NZ 2.97Å; E53-K56 VanDerWaalsContact OE2-CE 3.3Å; E53-K56 WeakPolarHBondContact OE2-CE 3.14Å; E53-K56 IonicContact OE2-NZ 2.7Å; E53-K56 PolarHBondContact OE2-NZ 3.09Å |
| 54 | L | 91.8 | Very high | 81.1 | Confident | 110 Ų | 110 | 109.5 Ų | 109.5 | 58% | 0.576 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.9 | -55.4 | -177.8 | -68.9 | 170.5 | 0 | 0 | 0 | 111.9 | I52 A62 E64 | I52-L54 PolarHBondContact O-N 3.49Å; L54-A62 HydrophobicContact CB-CB 4.44Å; L54-A62 PolarHBondContact N-O 3.43Å; L54-E64 HydrophobicContact CD1-CB 4.21Å; L54-E64 HydrophobicContact CG-CB 4.47Å |
| 55 | N | 88.6 | Confident | 83.3 | Confident | 74 Ų | 74 | 108 Ų | 108 | 40% | 0.396 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -155 | 140.1 | -175.8 | -161 | -47.2 | 0 | 0 | 0 | 111.5 | R57 Q61 A62 | N55-R57 WeakPolarHBondContact OD1-CG 3.22Å; N55-Q61 CarbonylContact O-C 3.59Å; N55-A62 PolarHBondContact N-O 3.11Å; N55-A62 VanDerWaalsContact N-O 3.11Å; N55-A62 PolarHBondContact O-N 3.2Å |
| 56 | K | 91.6 | Very high | 85.3 | Confident | 104 Ų | 104 | 104.4 Ų | 104.4 | 45% | 0.452 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 123 | 171.3 | -63.3 | -177 | 170.7 | 158.4 | 0 | 108.8 | E53 Q61 | E53-K56 IonicContact OE1-NZ 2.69Å; E53-K56 PolarHBondContact OE1-NZ 2.97Å; E53-K56 VanDerWaalsContact OE2-CE 3.3Å; E53-K56 WeakPolarHBondContact OE2-CE 3.14Å; E53-K56 IonicContact OE2-NZ 2.7Å; E53-K56 PolarHBondContact OE2-NZ 3.09Å; K56-Q61 HydrophobicContact CB-CG 4.21Å; K56-Q61 HydrophobicContact CD-CG 4.22Å; K56-Q61 HydrophobicContact CG-CB 4.1Å; K56-Q61 HydrophobicContact CG-CG 3.79Å |
| 57 | R | 92.6 | Very high | 87 | Confident | 174 Ų | 174 | 103.1 Ų | 103.1 | 66% | 0.657 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 164.9 | 176.9 | -56.8 | -172 | -178.1 | -168.5 | 0.2 | 109.4 | N55 S59 G60 | N55-R57 WeakPolarHBondContact OD1-CG 3.22Å; R57-S59 PolarHBondContact O-N 3.44Å; R57-S59 VanDerWaalsContact O-N 3.09Å; R57-G60 CarbonylContact C-O 3.59Å; R57-G60 PolarHBondContact N-O 3.4Å; R57-G60 CarbonylContact O-C 3.59Å; R57-G60 PolarHBondContact O-N 3.32Å |
| 58 | T | 87.6 | Confident | 88.4 | Confident | 163 Ų | 163 | 102.4 Ų | 102.4 | 100% | 1 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -26.1 | 174.8 | -11.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 59 | S | 90.6 | Very high | 88.9 | Confident | 117 Ų | 117 | 100.3 Ų | 100.3 | 82% | 0.818 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -7.4 | 177.8 | 61.6 | 0 | 0 | 0 | 0 | 114.8 | R57 | R57-S59 PolarHBondContact O-N 3.44Å; R57-S59 VanDerWaalsContact O-N 3.09Å |
| 60 | G | 92.1 | Very high | 88.7 | Confident | 38 Ų | 38 | 101.2 Ų | 101.2 | 39% | 0.392 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.6 | -175.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R57 | R57-G60 CarbonylContact C-O 3.59Å; R57-G60 PolarHBondContact N-O 3.4Å; R57-G60 CarbonylContact O-C 3.59Å; R57-G60 PolarHBondContact O-N 3.32Å |
| 61 | Q | 93.1 | Very high | 88.3 | Confident | 133 Ų | 133 | 101.3 Ų | 101.3 | 62% | 0.621 | 55% | 0.552 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -127.3 | 143.1 | -177.1 | -55.9 | -173.8 | -12.8 | 0 | 0 | 110.2 | N55 K56 | N55-Q61 CarbonylContact O-C 3.59Å; K56-Q61 HydrophobicContact CB-CG 4.21Å; K56-Q61 HydrophobicContact CD-CG 4.22Å; K56-Q61 HydrophobicContact CG-CB 4.1Å; K56-Q61 HydrophobicContact CG-CG 3.79Å |
| 62 | A | 94.4 | Very high | 87.8 | Confident | 47 Ų | 47 | 104.1 Ų | 104.1 | 39% | 0.388 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.3 | 136.3 | 178 | 0 | 0 | 0 | 0 | 0 | 109.8 | L54 N55 | L54-A62 HydrophobicContact CB-CB 4.44Å; L54-A62 PolarHBondContact N-O 3.43Å; N55-A62 PolarHBondContact N-O 3.11Å; N55-A62 VanDerWaalsContact N-O 3.11Å; N55-A62 PolarHBondContact O-N 3.2Å |
| 63 | F | 93.8 | Very high | 86.6 | Confident | 119 Ų | 119 | 108.8 Ų | 108.8 | 52% | 0.522 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -150 | 153.4 | 179.5 | 54.7 | -91.9 | 0 | 0 | 0 | 109.5 | V51 I52 V65 | V51-F63 HydrophobicContact CG1-CB 3.92Å; V51-F63 HydrophobicContact CG1-CD2 3.67Å; V51-F63 HydrophobicContact CG1-CE2 4.48Å; V51-F63 HydrophobicContact CG1-CG 4Å; I52-F63 CarbonylContact O-C 3.5Å; I52-F63 VanDerWaalsContact O-CA 3.23Å; I52-F63 WeakPolarHBondContact O-CA 3.43Å; I52-F63 WeakPolarHBondContact O-CB 3.3Å; F63-V65 HydrophobicContact CD2-CG2 3.45Å; F63-V65 VanDerWaalsContact CD2-CG2 3.45Å; F63-V65 HydrophobicContact CE2-CG2 3.42Å; F63-V65 VanDerWaalsContact CE2-CG2 3.42Å |
| 64 | E | 91.4 | Very high | 85.6 | Confident | 99 Ų | 99 | 104.3 Ų | 104.3 | 46% | 0.463 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100 | 134.6 | 173.1 | -178.2 | 171.3 | -171.4 | 0 | 0 | 108.9 | V51 I52 L54 I66 | V51-E64 CarbonylContact C-O 3.55Å; V51-E64 WeakPolarHBondContact CA-O 3.44Å; I52-E64 HydrophobicContact CB-CB 4.35Å; I52-E64 PolarHBondContact N-O 3.39Å; I52-E64 PolarHBondContact O-N 2.82Å; L54-E64 HydrophobicContact CD1-CB 4.21Å; L54-E64 HydrophobicContact CG-CB 4.47Å; E64-I66 HydrophobicContact CG-CG1 4.35Å |
| 65 | V | 92.3 | Very high | 84.4 | Confident | 69 Ų | 69 | 106.4 Ų | 106.4 | 42% | 0.418 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.8 | 117.6 | 179.3 | -175.1 | 0 | 0 | 0 | 0 | 109 | V49 E50 V51 F63 L67 | V49-V65 HydrophobicContact CG1-CG1 3.91Å; E50-V65 WeakPolarHBondContact O-CA 3.23Å; V51-V65 HydrophobicContact CG1-CG2 4.5Å; V51-V65 HydrophobicContact CG2-CG1 4.42Å; V51-V65 HydrophobicContact CG2-CG2 4.29Å; F63-V65 HydrophobicContact CD2-CG2 3.45Å; F63-V65 VanDerWaalsContact CD2-CG2 3.45Å; F63-V65 HydrophobicContact CE2-CG2 3.42Å; F63-V65 VanDerWaalsContact CE2-CG2 3.42Å; V65-L67 HydrophobicContact CG1-CD2 3.82Å; V65-L67 HydrophobicContact CG1-CG 4.38Å |
| 66 | I | 87.8 | Confident | 83.4 | Confident | 41 Ų | 41 | 107.7 Ų | 107.7 | 21% | 0.21 | 60% | 0.595 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.2 | 107 | 177.4 | -56.2 | 175.5 | 0 | 0 | 0 | 107.5 | E50 I52 E64 K68 | E50-I66 HydrophobicContact CB-CB 4.35Å; E50-I66 PolarHBondContact N-O 2.83Å; E50-I66 PolarHBondContact O-N 3.12Å; I52-I66 HydrophobicContact CD1-CD1 3.96Å; E64-I66 HydrophobicContact CG-CG1 4.35Å; I66-K68 WeakPolarHBondContact CG2-O 3.38Å |
| 67 | L | 87.7 | Confident | 82 | Confident | 122 Ų | 122 | 111.2 Ų | 111.2 | 64% | 0.639 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -83.4 | -25 | 177.4 | -59 | 179.4 | 0 | 0 | 0 | 112.3 | V49 V65 | V49-L67 HydrophobicContact CG1-CD2 4.14Å; V49-L67 HydrophobicContact CG2-CD2 4Å; V65-L67 HydrophobicContact CG1-CD2 3.82Å; V65-L67 HydrophobicContact CG1-CG 4.38Å |
| 68 | K | 84.7 | Confident | 80.5 | Confident | 152 Ų | 152 | 109.7 Ų | 109.7 | 66% | 0.661 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -153.6 | 127 | 175.3 | -173.1 | 179.2 | 178.7 | -179.8 | 0 | 107.8 | I66 | I66-K68 WeakPolarHBondContact CG2-O 3.38Š|
| 69 | P | 78.8 | Confident | 79.1 | Confident | 88 Ų | 88 | 107.8 Ų | 107.8 | 57% | 0.571 | 60% | 0.601 | S | S | * | * | trans | -61.4 | 154 | 175.4 | 25.5 | -33 | 0 | 0 | 0 | 110.4 | S71 | P69-S71 PolarHBondContact O-N 3.21Š| ||
| 70 | P | 77.5 | Confident | 77.2 | Confident | 93 Ų | 93 | 109 Ų | 109 | 60% | 0.604 | 60% | 0.604 | S | S | * | * | trans | -53 | 135.3 | 177 | 23.5 | -33.1 | 0 | 0 | 0 | 109.8 | F72 | P70-F72 PolarHBondContact O-N 3.47Š| ||
| 71 | S | 74.4 | Confident | 75.3 | Confident | 111 Ų | 111 | 111.5 Ų | 111.5 | 78% | 0.776 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -74.3 | -4.1 | -177.6 | -52.1 | 0 | 0 | 0 | 0 | 113 | P69 | P69-S71 PolarHBondContact O-N 3.21Š|
| 72 | F | 74.8 | Confident | 73.6 | Confident | 139 Ų | 139 | 112 Ų | 112 | 61% | 0.61 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -138 | 118.5 | 178.3 | 179.5 | -114 | 0 | 0 | 0 | 107.2 | P70 G74 | P70-F72 PolarHBondContact O-N 3.47Å; F72-G74 WeakPolarHBondContact CD1-O 3.42Å; F72-G74 PolarHBondContact O-N 3.25Å |
| 73 | D | 65.5 | Low | 72.1 | Confident | 163 Ų | 163 | 114.6 Ų | 114.6 | 87% | 0.872 | 63% | 0.631 | S | S | * | * | trans | -74 | -0.3 | 179.7 | -70.2 | -34.8 | 0 | 0 | 0 | 113.1 | ||||
| 74 | G | 66.6 | Low | 70.8 | Confident | 34 Ų | 34 | 117.9 Ų | 117.9 | 35% | 0.351 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -87.3 | 143.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | F72 | F72-G74 WeakPolarHBondContact CD1-O 3.42Å; F72-G74 PolarHBondContact O-N 3.25Å |
| 75 | L | 67.1 | Low | 69.9 | Low | 155 Ų | 155 | 124 Ų | 124 | 81% | 0.812 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -50 | 143 | 166 | -161.3 | 74.1 | 0 | 0 | 0 | 109.3 | E77 | L75-E77 PolarHBondContact O-N 3.44Š|
| 76 | P | 68 | Low | 69.4 | Low | 101 Ų | 101 | 131.9 Ų | 131.9 | 66% | 0.656 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 123.1 | 174 | -24.8 | 30.8 | 0 | 0 | 0 | 109.7 | L78 | P76-L78 PolarHBondContact O-N 3.34Š|
| 77 | E | 61 | Low | 69.4 | Low | 178 Ų | 178 | 137.1 Ų | 137.1 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | trans | -69.3 | 66.3 | 166.3 | -83.1 | -171.8 | 156.8 | 0 | 0 | 108.3 | L75 N79 | L75-E77 PolarHBondContact O-N 3.44Å; E77-N79 PolarHBondContact O-N 3.04Å | ||
| 78 | L | 61.6 | Low | 69.4 | Low | 142 Ų | 142 | 134.4 Ų | 134.4 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | trans | -74.2 | 85.7 | 171 | -156.9 | 157.2 | 0 | 0 | 0 | 105.2 | P76 T80 | P76-L78 PolarHBondContact O-N 3.34Å; L78-T80 VanDerWaalsContact C-N 3.3Å; L78-T80 PolarHBondContact O-N 3.23Å | ||
| 79 | N | 57.3 | Low | 69.9 | Low | 123 Ų | 123 | 129.8 Ų | 129.8 | 66% | 0.658 | 70% | 0.695 | S | S | * | * | trans | -3.9 | 80.8 | 178.2 | -73.9 | -73.4 | 0 | 0 | 0 | 113.2 | E77 S81 M82 | E77-N79 PolarHBondContact O-N 3.04Å; N79-S81 PolarHBondContact O-N 3.13Å; N79-M82 PolarHBondContact O-N 3.24Å | ||
| 80 | T | 51.1 | Low | 70.7 | Confident | 143 Ų | 143 | 131.5 Ų | 131.5 | 88% | 0.877 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 0.8 | 172.2 | 42.1 | 0 | 0 | 0 | 0 | 111.3 | L78 M82 | L78-T80 VanDerWaalsContact C-N 3.3Å; L78-T80 PolarHBondContact O-N 3.23Å; T80-M82 VanDerWaalsContact C-N 3.28Å |
| 81 | S | 53.2 | Low | 71.6 | Confident | 89 Ų | 89 | 134.1 Ų | 134.1 | 62% | 0.622 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -16.5 | 172.9 | 68.2 | 0 | 0 | 0 | 0 | 113.8 | N79 P83 | N79-S81 PolarHBondContact O-N 3.13Å; S81-P83 WeakPolarHBondContact O-CD 3.49Å |
| 82 | M | 56.3 | Low | 72.7 | Confident | 145 Ų | 145 | 133.9 Ų | 133.9 | 71% | 0.714 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -77.2 | 110.1 | 169.3 | -69.5 | -61.6 | -74 | 0 | 0 | 107.7 | N79 T80 Q84 | N79-M82 PolarHBondContact O-N 3.24Å; T80-M82 VanDerWaalsContact C-N 3.28Å; M82-Q84 PolarHBondContact O-N 3.42Å |
| 83 | P | 62.7 | Low | 73.8 | Confident | 100 Ų | 100 | 130.9 Ų | 130.9 | 65% | 0.649 | 68% | 0.678 | S | S | * | * | trans | -56 | 120.9 | 176.4 | 22.9 | -31.7 | 0 | 0 | 0 | 107.1 | S81 R85 | S81-P83 WeakPolarHBondContact O-CD 3.49Å; P83-R85 PolarHBondContact O-N 3.12Å | ||
| 84 | Q | 66.9 | Low | 75.3 | Confident | 188 Ų | 188 | 127.5 Ų | 127.5 | 88% | 0.879 | 66% | 0.658 | S | S | * | * | trans | -52.1 | 106.8 | 175 | -156.8 | 170.9 | 1.9 | 0 | 0 | 105.9 | M82 R86 | M82-Q84 PolarHBondContact O-N 3.42Å; Q84-R86 PolarHBondContact O-N 3.28Å | ||
| 85 | R | 72.6 | Confident | 76.8 | Confident | 227 Ų | 227 | 133.1 Ų | 133.1 | 86% | 0.857 | 67% | 0.672 | S | S | * | * | trans | -58.6 | 115.8 | 179.7 | -76.3 | -82.2 | 176.3 | 115.9 | -3 | 104.4 | P83 D87 | P83-R85 PolarHBondContact O-N 3.12Å; R85-D87 PolarHBondContact O-N 3.39Å | ||
| 86 | R | 82.8 | Confident | 78.3 | Confident | 236 Ų | 236 | 132.7 Ų | 132.7 | 89% | 0.891 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -58 | 134.2 | 174.8 | -60.4 | -166.3 | -147.7 | -179.3 | 7.5 | 107.1 | Q84 | Q84-R86 PolarHBondContact O-N 3.28Š|
| 87 | D | 86.4 | Confident | 79.8 | Confident | 150 Ų | 150 | 133.3 Ų | 133.3 | 80% | 0.802 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 132.3 | 172.2 | -67 | -41.8 | 0 | 0 | 0 | 108.3 | R85 S89 | R85-D87 PolarHBondContact O-N 3.39Å; D87-S89 PolarHBondContact O-N 3.28Å |
| 88 | P | 87.8 | Confident | 81.6 | Confident | 65 Ų | 65 | 130.3 Ų | 130.3 | 42% | 0.422 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -61.8 | 140 | -177.3 | 22.8 | -31 | 0 | 0 | 0 | 110.5 | E92 I93 | P88-E92 VanDerWaalsContact CA-OE2 3.23Å; P88-E92 WeakPolarHBondContact CA-OE2 3.33Å; P88-E92 HydrophobicContact CB-CB 4.37Å; P88-I93 HydrophobicContact CB-CG1 4.17Å; P88-I93 HydrophobicContact CG-CD1 4.36Å; P88-I93 HydrophobicContact CG-CG1 4.24Å |
| 89 | S | 94.9 | Very high | 83.3 | Confident | 56 Ų | 56 | 125.6 Ų | 125.6 | 39% | 0.392 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -69 | 160.6 | 176.8 | 80.9 | 0 | 0 | 0 | 0 | 110.9 | D87 E91 E92 I93 | D87-S89 PolarHBondContact O-N 3.28Å; S89-E91 PolarHBondContact O-N 3.23Å; S89-E91 PolarHBondContact OG-N 3.15Å; S89-E92 PolarHBondContact N-OE2 3.44Å; S89-E92 PolarHBondContact O-N 3.16Å; S89-E92 VanDerWaalsContact O-N 3.13Å; S89-E92 WeakPolarHBondContact OG-CG 3.37Å; S89-E92 PolarHBondContact OG-N 2.82Å; S89-I93 WeakPolarHBondContact O-CG1 3.43Å; S89-I93 PolarHBondContact O-N 2.88Å |
| 90 | L | 96.9 | Very high | 85.3 | Confident | 123 Ų | 123 | 121 Ų | 121 | 64% | 0.644 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -55.6 | -38.8 | 175.5 | -179.1 | 62.4 | 0 | 0 | 0 | 111.9 | I93 Q94 | L90-I93 PolarHBondContact O-N 2.85Å; L90-Q94 WeakPolarHBondContact O-CB 3.3Å; L90-Q94 WeakPolarHBondContact O-CG 3.46Å; L90-Q94 PolarHBondContact O-N 2.91Å |
| 91 | E | 96.6 | Very high | 87.5 | Confident | 149 Ų | 149 | 117.9 Ų | 117.9 | 70% | 0.696 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.3 | -40.9 | 178.4 | -172.4 | 175.8 | -179.5 | 0 | 0 | 111.9 | S89 I93 Q94 K95 | S89-E91 PolarHBondContact O-N 3.23Å; S89-E91 PolarHBondContact OG-N 3.15Å; E91-I93 VanDerWaalsContact C-N 3.31Å; E91-I93 PolarHBondContact O-N 3.02Å; E91-Q94 PolarHBondContact O-N 3.04Å; E91-K95 VanDerWaalsContact O-CB 3.3Å; E91-K95 WeakPolarHBondContact O-CB 3.49Å; E91-K95 PolarHBondContact O-N 3.13Å |
| 92 | E | 96.6 | Very high | 89.7 | Confident | 105 Ų | 105 | 118.3 Ų | 118.3 | 49% | 0.491 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.5 | -35.4 | 175.7 | -70 | 174.8 | 150.4 | 0 | 0 | 112.2 | P88 S89 K96 | P88-E92 VanDerWaalsContact CA-OE2 3.23Å; P88-E92 WeakPolarHBondContact CA-OE2 3.33Å; P88-E92 HydrophobicContact CB-CB 4.37Å; S89-E92 PolarHBondContact N-OE2 3.44Å; S89-E92 PolarHBondContact O-N 3.16Å; S89-E92 VanDerWaalsContact O-N 3.13Å; S89-E92 WeakPolarHBondContact OG-CG 3.37Å; S89-E92 PolarHBondContact OG-N 2.82Å; E92-K96 WeakPolarHBondContact O-CG 3.4Å; E92-K96 PolarHBondContact O-N 2.96Å |
| 93 | I | 97.3 | Very high | 91.7 | Very high | 76 Ų | 76 | 118.4 Ų | 118.4 | 39% | 0.39 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.2 | -50.2 | 174.5 | -64.9 | 167.4 | 0 | 0 | 0 | 109.9 | P88 S89 L90 E91 K95 K96 L97 | P88-I93 HydrophobicContact CB-CG1 4.17Å; P88-I93 HydrophobicContact CG-CD1 4.36Å; P88-I93 HydrophobicContact CG-CG1 4.24Å; S89-I93 WeakPolarHBondContact O-CG1 3.43Å; S89-I93 PolarHBondContact O-N 2.88Å; L90-I93 PolarHBondContact O-N 2.85Å; E91-I93 VanDerWaalsContact C-N 3.31Å; E91-I93 PolarHBondContact O-N 3.02Å; I93-K95 PolarHBondContact O-N 3.47Å; I93-K96 PolarHBondContact O-N 2.95Å; I93-K96 VanDerWaalsContact O-N 3.16Å; I93-L97 HydrophobicContact CG2-CD1 4.13Å; I93-L97 WeakPolarHBondContact O-CG 3.27Å; I93-L97 PolarHBondContact O-N 3.37Å |
| 94 | Q | 98.3 | Very high | 93.4 | Very high | 93 Ų | 93 | 120.4 Ų | 120.4 | 44% | 0.435 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -57.2 | -48.4 | 178.3 | -76.6 | 174.6 | -9 | 0 | 0 | 111.4 | L90 E91 K96 L97 E98 | L90-Q94 WeakPolarHBondContact O-CB 3.3Å; L90-Q94 WeakPolarHBondContact O-CG 3.46Å; L90-Q94 PolarHBondContact O-N 2.91Å; E91-Q94 PolarHBondContact O-N 3.04Å; Q94-K96 VanDerWaalsContact C-N 3.26Å; Q94-K96 PolarHBondContact O-N 3.3Å; Q94-L97 WeakPolarHBondContact O-CB 3.34Å; Q94-L97 PolarHBondContact O-N 3.01Å; Q94-E98 WeakPolarHBondContact O-CG 3.45Å; Q94-E98 PolarHBondContact O-N 3.11Å |
| 95 | K | 98.3 | Very high | 94.9 | Very high | 152 Ų | 152 | 115.7 Ų | 115.7 | 66% | 0.661 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -57.5 | -38 | 177.7 | -174 | 174.2 | -176.5 | 173.4 | 0 | 112.9 | E91 I93 A99 | E91-K95 VanDerWaalsContact O-CB 3.3Å; E91-K95 WeakPolarHBondContact O-CB 3.49Å; E91-K95 PolarHBondContact O-N 3.13Å; I93-K95 PolarHBondContact O-N 3.47Å; K95-A99 VanDerWaalsContact O-CB 3.27Å; K95-A99 WeakPolarHBondContact O-CB 3.43Å; K95-A99 PolarHBondContact O-N 3.48Å |
| 96 | K | 98.3 | Very high | 96.2 | Very high | 146 Ų | 146 | 108.3 Ų | 108.3 | 64% | 0.635 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.1 | -37.4 | 176.1 | -76.1 | 177 | -178.3 | 174.3 | 0 | 112.3 | E92 I93 Q94 A100 | E92-K96 WeakPolarHBondContact O-CG 3.4Å; E92-K96 PolarHBondContact O-N 2.96Å; I93-K96 PolarHBondContact O-N 2.95Å; I93-K96 VanDerWaalsContact O-N 3.16Å; Q94-K96 VanDerWaalsContact C-N 3.26Å; Q94-K96 PolarHBondContact O-N 3.3Å; K96-A100 PolarHBondContact O-N 3.08Å; K96-A100 VanDerWaalsContact O-N 3.11Å |
| 97 | L | 98.6 | Very high | 96.9 | Very high | 114 Ų | 114 | 103.3 Ų | 103.3 | 60% | 0.597 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.8 | -47.2 | 176 | -68.2 | 173 | 0 | 0 | 0 | 111.2 | I93 Q94 A99 A100 E101 | I93-L97 HydrophobicContact CG2-CD1 4.13Å; I93-L97 WeakPolarHBondContact O-CG 3.27Å; I93-L97 PolarHBondContact O-N 3.37Å; Q94-L97 WeakPolarHBondContact O-CB 3.34Å; Q94-L97 PolarHBondContact O-N 3.01Å; L97-A99 PolarHBondContact O-N 3.23Å; L97-A100 WeakPolarHBondContact O-CB 3.48Å; L97-A100 PolarHBondContact O-N 2.82Å; L97-A100 VanDerWaalsContact O-N 3.11Å; L97-E101 PolarHBondContact O-N 3.35Å |
| 98 | E | 98.3 | Very high | 97.5 | Very high | 115 Ų | 115 | 102 Ų | 102 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.5 | -46.2 | 175.1 | -72.4 | 174 | -173.5 | 0 | 0 | 111.1 | Q94 A100 E101 E102 | Q94-E98 WeakPolarHBondContact O-CG 3.45Å; Q94-E98 PolarHBondContact O-N 3.11Å; E98-A100 PolarHBondContact O-N 3.13Å; E98-E101 CarbonylContact O-C 3.6Å; E98-E101 WeakPolarHBondContact O-CA 3.48Å; E98-E101 WeakPolarHBondContact O-CB 3.43Å; E98-E101 PolarHBondContact O-N 3.49Å; E98-E102 WeakPolarHBondContact O-CG 3.37Å; E98-E102 PolarHBondContact O-N 3.02Å |
| 99 | A | 98.6 | Very high | 98 | Very high | 42 Ų | 42 | 101.6 Ų | 101.6 | 35% | 0.347 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.3 | -33.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K95 L97 R103 | K95-A99 VanDerWaalsContact O-CB 3.27Å; K95-A99 WeakPolarHBondContact O-CB 3.43Å; K95-A99 PolarHBondContact O-N 3.48Å; L97-A99 PolarHBondContact O-N 3.23Å; A99-R103 WeakPolarHBondContact O-CG 3.04Å; A99-R103 PolarHBondContact O-N 3.22Å; A99-R103 PolarHBondContact O-NH1 2.9Å |
| 100 | A | 98.6 | Very high | 98.2 | Very high | 27 Ų | 27 | 104.9 Ų | 104.9 | 22% | 0.223 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -72.8 | -35.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K96 L97 E98 R104 | K96-A100 PolarHBondContact O-N 3.08Å; K96-A100 VanDerWaalsContact O-N 3.11Å; L97-A100 WeakPolarHBondContact O-CB 3.48Å; L97-A100 PolarHBondContact O-N 2.82Å; L97-A100 VanDerWaalsContact O-N 3.11Å; E98-A100 PolarHBondContact O-N 3.13Å; A100-R104 PolarHBondContact O-N 3.27Å; A100-R104 PolarHBondContact O-NH1 3.23Å |
| 101 | E | 98.5 | Very high | 98.3 | Very high | 78 Ų | 78 | 104.1 Ų | 104.1 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.4 | -46.5 | 174.1 | -173.1 | 180 | 156.6 | 0 | 0 | 112.1 | L97 E98 R103 R104 K105 | L97-E101 PolarHBondContact O-N 3.35Å; E98-E101 CarbonylContact O-C 3.6Å; E98-E101 WeakPolarHBondContact O-CA 3.48Å; E98-E101 WeakPolarHBondContact O-CB 3.43Å; E98-E101 PolarHBondContact O-N 3.49Å; E101-R103 VanDerWaalsContact C-N 3.28Å; E101-R103 PolarHBondContact O-N 3.45Å; E101-R104 WeakPolarHBondContact O-CA 3.49Å; E101-R104 WeakPolarHBondContact O-CB 3.43Å; E101-R104 PolarHBondContact O-N 3.11Å; E101-K105 HydrophobicContact CG-CD 4.47Å; E101-K105 PolarHBondContact O-N 3.26Å; E101-K105 WeakPolarHBondContact OE1-CE 3.4Å; E101-K105 IonicContact OE1-NZ 2.76Å; E101-K105 PolarHBondContact OE1-NZ 2.92Å |
| 102 | E | 98.5 | Very high | 98.4 | Very high | 97 Ų | 97 | 101.7 Ų | 101.7 | 45% | 0.453 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 177.1 | -69.8 | -52.9 | 123.4 | 0 | 0 | 111.4 | E98 R104 K105 C106 | E98-E102 WeakPolarHBondContact O-CG 3.37Å; E98-E102 PolarHBondContact O-N 3.02Å; E102-R104 VanDerWaalsContact C-N 3.32Å; E102-R104 PolarHBondContact O-N 2.96Å; E102-K105 PolarHBondContact O-N 3.21Å; E102-K105 WeakPolarHBondContact OE1-CD 3.28Å; E102-K105 IonicContact OE1-NZ 2.96Å; E102-K105 PolarHBondContact OE1-NZ 3.45Å; E102-C106 WeakPolarHBondContact O-CB 3.48Å; E102-C106 PolarHBondContact O-N 2.82Å; E102-C106 PolarHBondContact O-SG 2.98Å |
| 103 | R | 98.8 | Very high | 98.5 | Very high | 147 Ų | 147 | 102.8 Ų | 102.8 | 56% | 0.555 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.7 | -39.3 | 171.9 | -74.8 | -169.9 | -57.6 | -84.5 | 4.7 | 113 | A99 E101 Q107 | A99-R103 WeakPolarHBondContact O-CG 3.04Å; A99-R103 PolarHBondContact O-N 3.22Å; A99-R103 PolarHBondContact O-NH1 2.9Å; E101-R103 VanDerWaalsContact C-N 3.28Å; E101-R103 PolarHBondContact O-N 3.45Å; R103-Q107 WeakPolarHBondContact O-CG 3.44Å; R103-Q107 PolarHBondContact O-N 3.38Å |
| 104 | R | 98.8 | Very high | 98.5 | Very high | 143 Ų | 143 | 104.7 Ų | 104.7 | 54% | 0.54 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -46.9 | 175 | -70.7 | -170.2 | -57.1 | -86.6 | 2.6 | 111 | A100 E101 E102 C106 Q107 E108 | A100-R104 PolarHBondContact O-N 3.27Å; A100-R104 PolarHBondContact O-NH1 3.23Å; E101-R104 WeakPolarHBondContact O-CA 3.49Å; E101-R104 WeakPolarHBondContact O-CB 3.43Å; E101-R104 PolarHBondContact O-N 3.11Å; E102-R104 VanDerWaalsContact C-N 3.32Å; E102-R104 PolarHBondContact O-N 2.96Å; R104-C106 VanDerWaalsContact C-N 3.34Å; R104-C106 PolarHBondContact O-N 2.83Å; R104-Q107 PolarHBondContact O-N 3Å; R104-E108 PolarHBondContact O-N 2.76Å |
| 105 | K | 98.6 | Very high | 98.5 | Very high | 89 Ų | 89 | 104.6 Ų | 104.6 | 39% | 0.387 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 178.3 | -71.3 | 178.4 | -173.1 | 154.3 | 0 | 112.1 | E101 E102 E108 A109 | E101-K105 HydrophobicContact CG-CD 4.47Å; E101-K105 PolarHBondContact O-N 3.26Å; E101-K105 WeakPolarHBondContact OE1-CE 3.4Å; E101-K105 IonicContact OE1-NZ 2.76Å; E101-K105 PolarHBondContact OE1-NZ 2.92Å; E102-K105 PolarHBondContact O-N 3.21Å; E102-K105 WeakPolarHBondContact OE1-CD 3.28Å; E102-K105 IonicContact OE1-NZ 2.96Å; E102-K105 PolarHBondContact OE1-NZ 3.45Å; K105-E108 PolarHBondContact O-N 3.28Å; K105-A109 VanDerWaalsContact O-CB 3.28Å; K105-A109 WeakPolarHBondContact O-CB 3.43Å; K105-A109 PolarHBondContact O-N 3.46Å |
| 106 | C | 98.5 | Very high | 98.6 | Very high | 71 Ų | 71 | 100 Ų | 100 | 48% | 0.48 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 175.7 | -72.9 | 0 | 0 | 0 | 0 | 111.7 | E102 R104 E108 A109 E110 | E102-C106 WeakPolarHBondContact O-CB 3.48Å; E102-C106 PolarHBondContact O-N 2.82Å; E102-C106 PolarHBondContact O-SG 2.98Å; R104-C106 VanDerWaalsContact C-N 3.34Å; R104-C106 PolarHBondContact O-N 2.83Å; C106-E108 VanDerWaalsContact C-N 3.34Å; C106-E108 PolarHBondContact O-N 3.36Å; C106-A109 PolarHBondContact O-N 3.27Å; C106-E110 WeakPolarHBondContact O-CG 3.32Å; C106-E110 PolarHBondContact O-N 2.89Å |
| 107 | Q | 98.6 | Very high | 98.6 | Very high | 132 Ų | 132 | 97 Ų | 97 | 62% | 0.617 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.7 | -41.5 | 177.8 | -71 | 174.9 | 3.7 | 0 | 0 | 112 | R103 R104 E110 L111 | R103-Q107 WeakPolarHBondContact O-CG 3.44Å; R103-Q107 PolarHBondContact O-N 3.38Å; R104-Q107 PolarHBondContact O-N 3Å; Q107-E110 PolarHBondContact O-N 2.86Å; Q107-L111 PolarHBondContact O-N 2.96Å |
| 108 | E | 98.4 | Very high | 98.6 | Very high | 121 Ų | 121 | 97.6 Ų | 97.6 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.9 | -44.1 | 175.4 | -174.6 | 177.2 | 178.2 | 0 | 0 | 111.6 | R104 K105 C106 E110 L111 L112 | R104-E108 PolarHBondContact O-N 2.76Å; K105-E108 PolarHBondContact O-N 3.28Å; C106-E108 VanDerWaalsContact C-N 3.34Å; C106-E108 PolarHBondContact O-N 3.36Å; E108-E110 PolarHBondContact O-N 3.25Å; E108-L111 PolarHBondContact O-N 3.46Å; E108-L112 HydrophobicContact CG-CD1 4.13Å; E108-L112 HydrophobicContact CG-CG 4.45Å; E108-L112 WeakPolarHBondContact O-CB 3.36Å; E108-L112 VanDerWaalsContact O-CG 3.3Å; E108-L112 WeakPolarHBondContact O-CG 3.12Å; E108-L112 PolarHBondContact O-N 3.47Å |
| 109 | A | 98.5 | Very high | 98.6 | Very high | 57 Ų | 57 | 98.5 Ų | 98.5 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K105 C106 L112 K113 | K105-A109 VanDerWaalsContact O-CB 3.28Å; K105-A109 WeakPolarHBondContact O-CB 3.43Å; K105-A109 PolarHBondContact O-N 3.46Å; C106-A109 PolarHBondContact O-N 3.27Å; A109-L112 PolarHBondContact O-N 2.85Å; A109-K113 WeakPolarHBondContact O-CB 3.47Å; A109-K113 PolarHBondContact O-N 3.4Å |
| 110 | E | 98.5 | Very high | 98.6 | Very high | 126 Ų | 126 | 101.2 Ų | 101.2 | 59% | 0.589 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.6 | -43.9 | 174 | -76 | 179.8 | 171.7 | 0 | 0 | 111.8 | C106 Q107 E108 K113 H114 | C106-E110 WeakPolarHBondContact O-CG 3.32Å; C106-E110 PolarHBondContact O-N 2.89Å; Q107-E110 PolarHBondContact O-N 2.86Å; E108-E110 PolarHBondContact O-N 3.25Å; E110-K113 WeakPolarHBondContact O-CB 3.3Å; E110-K113 PolarHBondContact O-N 3.27Å; E110-H114 PolarHBondContact O-CD2 2.88Å; E110-H114 VanDerWaalsContact O-CD2 3.32Å; E110-H114 PolarHBondContact O-N 3.37Å |
| 111 | L | 98.6 | Very high | 98.6 | Very high | 106 Ų | 106 | 105.1 Ų | 105.1 | 56% | 0.555 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.5 | -47.3 | 175.1 | 176.6 | 61.7 | 0 | 0 | 0 | 111.4 | Q107 E108 K113 H114 L115 | Q107-L111 PolarHBondContact O-N 2.96Å; E108-L111 PolarHBondContact O-N 3.46Å; L111-K113 VanDerWaalsContact C-N 3.29Å; L111-K113 PolarHBondContact O-N 3.06Å; L111-H114 PolarHBondContact O-N 3.12Å; L111-L115 HydrophobicContact CD1-CD1 4.44Å; L111-L115 HydrophobicContact CD1-CG 4.45Å; L111-L115 HydrophobicContact CG-CD1 4.25Å; L111-L115 WeakPolarHBondContact O-CG 3.45Å; L111-L115 PolarHBondContact O-N 3.42Å |
| 112 | L | 98.7 | Very high | 98.6 | Very high | 98 Ų | 98 | 104.6 Ų | 104.6 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62 | -38.2 | 178.1 | -71.9 | 174.7 | 0 | 0 | 0 | 111.8 | E108 A109 L115 A116 | E108-L112 HydrophobicContact CG-CD1 4.13Å; E108-L112 HydrophobicContact CG-CG 4.45Å; E108-L112 WeakPolarHBondContact O-CB 3.36Å; E108-L112 VanDerWaalsContact O-CG 3.3Å; E108-L112 WeakPolarHBondContact O-CG 3.12Å; E108-L112 PolarHBondContact O-N 3.47Å; A109-L112 PolarHBondContact O-N 2.85Å; L112-L115 PolarHBondContact O-N 3.32Å; L112-A116 WeakPolarHBondContact O-CB 3.38Å; L112-A116 PolarHBondContact O-N 3.33Å |
| 113 | K | 98.6 | Very high | 98.6 | Very high | 128 Ų | 128 | 106.9 Ų | 106.9 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.6 | -50 | 174.1 | -179.9 | -176.2 | 171.3 | -170.9 | 0 | 111.2 | A109 E110 L111 L115 A116 E117 | A109-K113 WeakPolarHBondContact O-CB 3.47Å; A109-K113 PolarHBondContact O-N 3.4Å; E110-K113 WeakPolarHBondContact O-CB 3.3Å; E110-K113 PolarHBondContact O-N 3.27Å; L111-K113 VanDerWaalsContact C-N 3.29Å; L111-K113 PolarHBondContact O-N 3.06Å; K113-L115 VanDerWaalsContact C-N 3.3Å; K113-L115 PolarHBondContact O-N 3.04Å; K113-A116 WeakPolarHBondContact O-CB 3.45Å; K113-A116 PolarHBondContact O-N 2.9Å; K113-A116 VanDerWaalsContact O-N 3.12Å; K113-E117 WeakPolarHBondContact CE-OE1 3.36Å; K113-E117 WeakPolarHBondContact O-CG 3.43Å; K113-E117 PolarHBondContact O-N 3.38Å |
| 114 | H | 98.7 | Very high | 98.6 | Very high | 116 Ų | 116 | 104.8 Ų | 104.8 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -36 | 177.6 | -75.1 | -48.7 | 0 | 0 | 0 | 113.3 | E110 L111 E117 K118 | E110-H114 PolarHBondContact O-CD2 2.88Å; E110-H114 VanDerWaalsContact O-CD2 3.32Å; E110-H114 PolarHBondContact O-N 3.37Å; L111-H114 PolarHBondContact O-N 3.12Å; H114-E117 IonicContact CE1-OE2 2.77Å; H114-E117 IonicContact CG-OE2 3.63Å; H114-E117 IonicContact ND1-OE2 3.62Å; H114-E117 PolarHBondContact ND1-OE2 2.92Å; H114-K118 PolarHBondContact O-N 3.38Å |
| 115 | L | 98.7 | Very high | 98.6 | Very high | 91 Ų | 91 | 101.7 Ų | 101.7 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 173.5 | -69.1 | 173.9 | 0 | 0 | 0 | 111.6 | L111 L112 K113 K118 R119 | L111-L115 HydrophobicContact CD1-CD1 4.44Å; L111-L115 HydrophobicContact CD1-CG 4.45Å; L111-L115 HydrophobicContact CG-CD1 4.25Å; L111-L115 WeakPolarHBondContact O-CG 3.45Å; L111-L115 PolarHBondContact O-N 3.42Å; L112-L115 PolarHBondContact O-N 3.32Å; K113-L115 VanDerWaalsContact C-N 3.3Å; K113-L115 PolarHBondContact O-N 3.04Å; L115-K118 PolarHBondContact O-N 2.94Å; L115-R119 VanDerWaalsContact O-CG 3.29Å; L115-R119 WeakPolarHBondContact O-CG 3.47Å; L115-R119 PolarHBondContact O-N 2.98Å |
| 116 | A | 98.6 | Very high | 98.6 | Very high | 57 Ų | 57 | 102.3 Ų | 102.3 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -44.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L112 K113 K118 R119 E120 | L112-A116 WeakPolarHBondContact O-CB 3.38Å; L112-A116 PolarHBondContact O-N 3.33Å; K113-A116 WeakPolarHBondContact O-CB 3.45Å; K113-A116 PolarHBondContact O-N 2.9Å; K113-A116 VanDerWaalsContact O-N 3.12Å; A116-K118 VanDerWaalsContact C-N 3.32Å; A116-K118 PolarHBondContact O-N 3.33Å; A116-R119 WeakPolarHBondContact O-CB 3.39Å; A116-R119 PolarHBondContact O-N 3.02Å; A116-E120 PolarHBondContact O-N 3.29Å |
| 117 | E | 98.6 | Very high | 98.6 | Very high | 83 Ų | 83 | 104.2 Ų | 104.2 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.8 | -44.7 | 173.5 | -71.9 | 168.8 | 175.8 | 0 | 0 | 111.1 | K113 H114 R119 E120 H121 | K113-E117 WeakPolarHBondContact CE-OE1 3.36Å; K113-E117 WeakPolarHBondContact O-CG 3.43Å; K113-E117 PolarHBondContact O-N 3.38Å; H114-E117 IonicContact CE1-OE2 2.77Å; H114-E117 IonicContact CG-OE2 3.63Å; H114-E117 IonicContact ND1-OE2 3.62Å; H114-E117 PolarHBondContact ND1-OE2 2.92Å; E117-R119 PolarHBondContact O-N 2.99Å; E117-E120 WeakPolarHBondContact O-CB 3.47Å; E117-E120 PolarHBondContact O-N 2.89Å; E117-H121 PolarHBondContact O-N 3.01Å |
| 118 | K | 98.7 | Very high | 98.6 | Very high | 125 Ų | 125 | 103.8 Ų | 103.8 | 54% | 0.543 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 176.7 | -174.2 | 177.5 | 178.3 | 178.8 | 0 | 112.3 | H114 L115 A116 E120 H121 E122 | H114-K118 PolarHBondContact O-N 3.38Å; L115-K118 PolarHBondContact O-N 2.94Å; A116-K118 VanDerWaalsContact C-N 3.32Å; A116-K118 PolarHBondContact O-N 3.33Å; K118-E120 VanDerWaalsContact C-N 3.3Å; K118-E120 PolarHBondContact O-N 3.49Å; K118-H121 PolarHBondContact O-N 2.92Å; K118-E122 WeakPolarHBondContact O-CG 3.49Å; K118-E122 PolarHBondContact O-N 3.01Å |
| 119 | R | 98.8 | Very high | 98.6 | Very high | 135 Ų | 135 | 100.7 Ų | 100.7 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.7 | -35.7 | 175.9 | -71.2 | -73.5 | 101.2 | 117.8 | -2 | 111.9 | L115 A116 E117 E122 R123 | L115-R119 VanDerWaalsContact O-CG 3.29Å; L115-R119 WeakPolarHBondContact O-CG 3.47Å; L115-R119 PolarHBondContact O-N 2.98Å; A116-R119 WeakPolarHBondContact O-CB 3.39Å; A116-R119 PolarHBondContact O-N 3.02Å; E117-R119 PolarHBondContact O-N 2.99Å; R119-E122 IonicContact CZ-OE1 3.25Å; R119-E122 IonicContact CZ-OE2 3.54Å; R119-E122 IonicContact NE-OE1 2.81Å; R119-E122 IonicContact NE-OE2 2.82Å; R119-E122 PolarHBondContact NE-OE2 2.81Å; R119-E122 VanDerWaalsContact NH2-CD 3.3Å; R119-E122 IonicContact NH2-OE1 3.3Å; R119-E122 PolarHBondContact NH2-OE1 2.84Å; R119-E122 IonicContact NH2-OE2 3.98Å; R119-E122 PolarHBondContact NH2-OE2 3.45Å; R119-R123 WeakPolarHBondContact O-CG 3.32Å; R119-R123 PolarHBondContact O-N 3.46Å; R119-R123 PolarHBondContact O-NH1 3.29Å |
| 120 | E | 98.5 | Very high | 98.6 | Very high | 99 Ų | 99 | 104.3 Ų | 104.3 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -48.2 | 173.9 | -176.8 | 164.6 | -144.1 | 0 | 0 | 111.4 | A116 E117 K118 E122 R123 E124 | A116-E120 PolarHBondContact O-N 3.29Å; E117-E120 WeakPolarHBondContact O-CB 3.47Å; E117-E120 PolarHBondContact O-N 2.89Å; K118-E120 VanDerWaalsContact C-N 3.3Å; K118-E120 PolarHBondContact O-N 3.49Å; E120-E122 VanDerWaalsContact C-N 3.29Å; E120-E122 PolarHBondContact O-N 3.23Å; E120-R123 WeakPolarHBondContact O-CA 3.29Å; E120-R123 WeakPolarHBondContact O-CB 3.47Å; E120-R123 PolarHBondContact O-N 3.18Å; E120-E124 WeakPolarHBondContact O-CG 3.21Å; E120-E124 PolarHBondContact O-N 3.42Å |
| 121 | H | 98.8 | Very high | 98.6 | Very high | 108 Ų | 108 | 102.6 Ų | 102.6 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.7 | -41 | 176.2 | -174.7 | 57.4 | 0 | 0 | 0 | 112.7 | E117 K118 R123 E124 V125 | E117-H121 PolarHBondContact O-N 3.01Å; K118-H121 PolarHBondContact O-N 2.92Å; H121-R123 VanDerWaalsContact C-N 3.3Å; H121-R123 PolarHBondContact O-N 3.36Å; H121-E124 IonicContact ND1-OE2 3.99Å; H121-E124 PolarHBondContact O-N 3.45Å; H121-V125 VanDerWaalsContact O-CG2 3.31Å; H121-V125 WeakPolarHBondContact O-CG2 3.31Å; H121-V125 PolarHBondContact O-N 3.46Å |
| 122 | E | 98.6 | Very high | 98.6 | Very high | 68 Ų | 68 | 103 Ų | 103 | 32% | 0.318 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 174.5 | -73.5 | 167.3 | -171.2 | 0 | 0 | 112.3 | K118 R119 E120 I126 | K118-E122 WeakPolarHBondContact O-CG 3.49Å; K118-E122 PolarHBondContact O-N 3.01Å; R119-E122 IonicContact CZ-OE1 3.25Å; R119-E122 IonicContact CZ-OE2 3.54Å; R119-E122 IonicContact NE-OE1 2.81Å; R119-E122 IonicContact NE-OE2 2.82Å; R119-E122 PolarHBondContact NE-OE2 2.81Å; R119-E122 VanDerWaalsContact NH2-CD 3.3Å; R119-E122 IonicContact NH2-OE1 3.3Å; R119-E122 PolarHBondContact NH2-OE1 2.84Å; R119-E122 IonicContact NH2-OE2 3.98Å; R119-E122 PolarHBondContact NH2-OE2 3.45Å; E120-E122 VanDerWaalsContact C-N 3.29Å; E120-E122 PolarHBondContact O-N 3.23Å; E122-I126 WeakPolarHBondContact O-CG1 3.35Å; E122-I126 PolarHBondContact O-N 3.21Å |
| 123 | R | 98.7 | Very high | 98.6 | Very high | 144 Ų | 144 | 102.4 Ų | 102.4 | 54% | 0.543 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.3 | -44.7 | 174.9 | -68.5 | -172.8 | -60 | -87.6 | 6.2 | 111.6 | R119 E120 H121 V125 I126 Q127 | R119-R123 WeakPolarHBondContact O-CG 3.32Å; R119-R123 PolarHBondContact O-N 3.46Å; R119-R123 PolarHBondContact O-NH1 3.29Å; E120-R123 WeakPolarHBondContact O-CA 3.29Å; E120-R123 WeakPolarHBondContact O-CB 3.47Å; E120-R123 PolarHBondContact O-N 3.18Å; H121-R123 VanDerWaalsContact C-N 3.3Å; H121-R123 PolarHBondContact O-N 3.36Å; R123-V125 VanDerWaalsContact C-N 3.33Å; R123-V125 PolarHBondContact O-N 3.49Å; R123-I126 PolarHBondContact O-N 3.26Å; R123-Q127 WeakPolarHBondContact O-CB 3.46Å; R123-Q127 PolarHBondContact O-N 2.89Å |
| 124 | E | 98.6 | Very high | 98.6 | Very high | 104 Ų | 104 | 100.7 Ų | 100.7 | 49% | 0.486 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 177.7 | -69.4 | 177.2 | 165.2 | 0 | 0 | 111.8 | E120 H121 I126 Q127 K128 | E120-E124 WeakPolarHBondContact O-CG 3.21Å; E120-E124 PolarHBondContact O-N 3.42Å; H121-E124 IonicContact ND1-OE2 3.99Å; H121-E124 PolarHBondContact O-N 3.45Å; E124-I126 PolarHBondContact O-N 3.39Å; E124-Q127 PolarHBondContact O-N 3.27Å; E124-K128 WeakPolarHBondContact O-CB 3.39Å; E124-K128 PolarHBondContact O-N 2.7Å |
| 125 | V | 98.8 | Very high | 98.6 | Very high | 77 Ų | 77 | 99.3 Ų | 99.3 | 47% | 0.467 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 178 | 168.8 | 0 | 0 | 0 | 0 | 111 | H121 R123 K128 A129 | H121-V125 VanDerWaalsContact O-CG2 3.31Å; H121-V125 WeakPolarHBondContact O-CG2 3.31Å; H121-V125 PolarHBondContact O-N 3.46Å; R123-V125 VanDerWaalsContact C-N 3.33Å; R123-V125 PolarHBondContact O-N 3.49Å; V125-K128 PolarHBondContact O-N 2.77Å; V125-A129 PolarHBondContact O-N 3.18Å |
| 126 | I | 98.4 | Very high | 98.6 | Very high | 102 Ų | 102 | 101.9 Ų | 101.9 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 177.6 | -67.8 | 167.8 | 0 | 0 | 0 | 110.3 | E122 R123 E124 K128 A129 F130 | E122-I126 WeakPolarHBondContact O-CG1 3.35Å; E122-I126 PolarHBondContact O-N 3.21Å; R123-I126 PolarHBondContact O-N 3.26Å; E124-I126 PolarHBondContact O-N 3.39Å; I126-K128 VanDerWaalsContact C-N 3.34Å; I126-K128 PolarHBondContact O-N 3.41Å; I126-A129 PolarHBondContact O-N 3.24Å; I126-F130 HydrophobicContact CG2-CD2 3.84Å; I126-F130 HydrophobicContact CG2-CE2 3.57Å; I126-F130 WeakPolarHBondContact O-CD2 3.34Å; I126-F130 PolarHBondContact O-N 3.31Å; I126-F130 VanDerWaalsContact O-N 3.13Å |
| 127 | Q | 98.6 | Very high | 98.6 | Very high | 112 Ų | 112 | 103.5 Ų | 103.5 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 178.9 | 178.5 | 173.4 | -11.5 | 0 | 0 | 111.4 | R123 E124 A129 F130 E131 | R123-Q127 WeakPolarHBondContact O-CB 3.46Å; R123-Q127 PolarHBondContact O-N 2.89Å; E124-Q127 PolarHBondContact O-N 3.27Å; Q127-A129 VanDerWaalsContact C-N 3.33Å; Q127-A129 PolarHBondContact O-N 3.02Å; Q127-F130 WeakPolarHBondContact O-CB 3.02Å; Q127-F130 PolarHBondContact O-N 2.98Å; Q127-F130 VanDerWaalsContact O-N 3.14Å; Q127-E131 HydrophobicContact CG-CG 4.41Å; Q127-E131 WeakPolarHBondContact CG-OE1 3.47Å; Q127-E131 PolarHBondContact NE2-OE1 3.43Å; Q127-E131 WeakPolarHBondContact O-CG 3.43Å; Q127-E131 PolarHBondContact O-N 2.88Å |
| 128 | K | 98.6 | Very high | 98.6 | Very high | 122 Ų | 122 | 105.1 Ų | 105.1 | 53% | 0.53 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 177.8 | -175.8 | 175 | 177.8 | 179.6 | 0 | 112 | E124 V125 I126 F130 E131 E132 | E124-K128 WeakPolarHBondContact O-CB 3.39Å; E124-K128 PolarHBondContact O-N 2.7Å; V125-K128 PolarHBondContact O-N 2.77Å; I126-K128 VanDerWaalsContact C-N 3.34Å; I126-K128 PolarHBondContact O-N 3.41Å; K128-F130 VanDerWaalsContact C-N 3.31Å; K128-F130 PolarHBondContact O-N 3.49Å; K128-E131 PolarHBondContact O-N 3.25Å; K128-E132 WeakPolarHBondContact CE-OE1 3.43Å; K128-E132 HydrophobicContact CG-CG 4.37Å; K128-E132 WeakPolarHBondContact O-CB 3.36Å; K128-E132 WeakPolarHBondContact O-CG 3.44Å; K128-E132 PolarHBondContact O-N 3.13Å |
| 129 | A | 98.6 | Very high | 98.6 | Very high | 57 Ų | 57 | 103.7 Ų | 103.7 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | V125 I126 Q127 N133 | V125-A129 PolarHBondContact O-N 3.18Å; I126-A129 PolarHBondContact O-N 3.24Å; Q127-A129 VanDerWaalsContact C-N 3.33Å; Q127-A129 PolarHBondContact O-N 3.02Å; A129-N133 WeakPolarHBondContact O-CB 3.33Å; A129-N133 PolarHBondContact O-N 2.86Å; A129-N133 VanDerWaalsContact O-N 3.14Å |
| 130 | F | 98.4 | Very high | 98.6 | Very high | 132 Ų | 132 | 99.6 Ų | 99.6 | 58% | 0.579 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.1 | -44.1 | 173.7 | -78.3 | -67 | 0 | 0 | 0 | 112.4 | I126 Q127 K128 N133 N134 | I126-F130 HydrophobicContact CG2-CD2 3.84Å; I126-F130 HydrophobicContact CG2-CE2 3.57Å; I126-F130 WeakPolarHBondContact O-CD2 3.34Å; I126-F130 PolarHBondContact O-N 3.31Å; I126-F130 VanDerWaalsContact O-N 3.13Å; Q127-F130 WeakPolarHBondContact O-CB 3.02Å; Q127-F130 PolarHBondContact O-N 2.98Å; Q127-F130 VanDerWaalsContact O-N 3.14Å; K128-F130 VanDerWaalsContact C-N 3.31Å; K128-F130 PolarHBondContact O-N 3.49Å; F130-N133 PolarHBondContact O-N 2.87Å; F130-N134 WeakPolarHBondContact O-CB 3.45Å; F130-N134 PolarHBondContact O-N 3.26Å; F130-N134 PolarHBondContact O-ND2 2.91Å |
| 131 | E | 98.6 | Very high | 98.6 | Very high | 91 Ų | 91 | 101.8 Ų | 101.8 | 43% | 0.425 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 178.5 | -75.1 | 172.9 | -173.2 | 0 | 0 | 112 | Q127 K128 N133 N134 N135 | Q127-E131 HydrophobicContact CG-CG 4.41Å; Q127-E131 WeakPolarHBondContact CG-OE1 3.47Å; Q127-E131 PolarHBondContact NE2-OE1 3.43Å; Q127-E131 WeakPolarHBondContact O-CG 3.43Å; Q127-E131 PolarHBondContact O-N 2.88Å; K128-E131 PolarHBondContact O-N 3.25Å; E131-N133 PolarHBondContact O-N 3.14Å; E131-N134 PolarHBondContact O-N 3.41Å; E131-N135 WeakPolarHBondContact O-CB 3.43Å; E131-N135 PolarHBondContact O-N 2.9Å; E131-N135 PolarHBondContact O-ND2 3.39Å |
| 132 | E | 98.6 | Very high | 98.6 | Very high | 114 Ų | 114 | 100.5 Ų | 100.5 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 176.7 | -73.9 | 179.2 | 179.9 | 0 | 0 | 111.8 | K128 N135 F136 | K128-E132 WeakPolarHBondContact CE-OE1 3.43Å; K128-E132 HydrophobicContact CG-CG 4.37Å; K128-E132 WeakPolarHBondContact O-CB 3.36Å; K128-E132 WeakPolarHBondContact O-CG 3.44Å; K128-E132 PolarHBondContact O-N 3.13Å; E132-N135 PolarHBondContact O-N 3.4Å; E132-F136 WeakPolarHBondContact O-CB 3.48Å; E132-F136 PolarHBondContact O-N 3.14Å |
| 133 | N | 98.6 | Very high | 98.6 | Very high | 85 Ų | 85 | 103.6 Ų | 103.6 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 175.8 | -179.1 | 61.9 | 0 | 0 | 0 | 111.9 | A129 F130 E131 N135 F136 I137 | A129-N133 WeakPolarHBondContact O-CB 3.33Å; A129-N133 PolarHBondContact O-N 2.86Å; A129-N133 VanDerWaalsContact O-N 3.14Å; F130-N133 PolarHBondContact O-N 2.87Å; E131-N133 PolarHBondContact O-N 3.14Å; N133-N135 VanDerWaalsContact C-N 3.35Å; N133-N135 PolarHBondContact O-N 3.19Å; N133-F136 PolarHBondContact O-N 2.93Å; N133-I137 WeakPolarHBondContact O-CG1 2.88Å; N133-I137 PolarHBondContact O-N 3.41Å |
| 134 | N | 98.7 | Very high | 98.6 | Very high | 92 Ų | 92 | 101.9 Ų | 101.9 | 49% | 0.492 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 177.7 | -71.3 | -21.3 | 0 | 0 | 0 | 111.7 | F130 E131 I137 K138 | F130-N134 WeakPolarHBondContact O-CB 3.45Å; F130-N134 PolarHBondContact O-N 3.26Å; F130-N134 PolarHBondContact O-ND2 2.91Å; E131-N134 PolarHBondContact O-N 3.41Å; N134-I137 PolarHBondContact O-N 3Å; N134-K138 WeakPolarHBondContact O-CB 3.33Å; N134-K138 PolarHBondContact O-N 2.93Å |
| 135 | N | 98.8 | Very high | 98.6 | Very high | 88 Ų | 88 | 102.9 Ų | 102.9 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 175.9 | -74.8 | -25.9 | 0 | 0 | 0 | 111.7 | E131 E132 N133 K138 N139 | E131-N135 WeakPolarHBondContact O-CB 3.43Å; E131-N135 PolarHBondContact O-N 2.9Å; E131-N135 PolarHBondContact O-ND2 3.39Å; E132-N135 PolarHBondContact O-N 3.4Å; N133-N135 VanDerWaalsContact C-N 3.35Å; N133-N135 PolarHBondContact O-N 3.19Å; N135-K138 PolarHBondContact O-N 3.48Å; N135-N139 WeakPolarHBondContact O-CB 3.38Å; N135-N139 PolarHBondContact O-N 3.37Å; N135-N139 PolarHBondContact O-ND2 3.29Å |
| 136 | F | 98.7 | Very high | 98.6 | Very high | 144 Ų | 144 | 105.5 Ų | 105.5 | 63% | 0.632 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.3 | -48.8 | 174.7 | 177.5 | -99.4 | 0 | 0 | 0 | 111.5 | E132 N133 K138 N139 A140 | E132-F136 WeakPolarHBondContact O-CB 3.48Å; E132-F136 PolarHBondContact O-N 3.14Å; N133-F136 PolarHBondContact O-N 2.93Å; F136-K138 VanDerWaalsContact C-N 3.34Å; F136-K138 PolarHBondContact O-N 3.36Å; F136-N139 PolarHBondContact O-N 2.89Å; F136-A140 VanDerWaalsContact O-CB 3.26Å; F136-A140 WeakPolarHBondContact O-CB 3.21Å; F136-A140 PolarHBondContact O-N 2.99Å |
| 137 | I | 98.6 | Very high | 98.6 | Very high | 92 Ų | 92 | 107.3 Ų | 107.3 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 178.5 | -67.3 | 166.6 | 0 | 0 | 0 | 110.7 | N133 N134 A140 K141 | N133-I137 WeakPolarHBondContact O-CG1 2.88Å; N133-I137 PolarHBondContact O-N 3.41Å; N134-I137 PolarHBondContact O-N 3Å; I137-A140 PolarHBondContact O-N 3.45Å; I137-K141 WeakPolarHBondContact O-CB 3.19Å; I137-K141 PolarHBondContact O-N 3.5Å |
| 138 | K | 98.7 | Very high | 98.6 | Very high | 116 Ų | 116 | 107.4 Ų | 107.4 | 50% | 0.504 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.4 | -52.4 | 178.3 | -178.7 | 179.9 | 172.7 | -176.6 | 0 | 111.5 | N134 N135 F136 A140 K141 E142 | N134-K138 WeakPolarHBondContact O-CB 3.33Å; N134-K138 PolarHBondContact O-N 2.93Å; N135-K138 PolarHBondContact O-N 3.48Å; F136-K138 VanDerWaalsContact C-N 3.34Å; F136-K138 PolarHBondContact O-N 3.36Å; K138-A140 VanDerWaalsContact C-N 3.32Å; K138-A140 PolarHBondContact O-N 3.36Å; K138-K141 PolarHBondContact O-N 2.93Å; K138-E142 WeakPolarHBondContact CE-OE1 3.35Å; K138-E142 WeakPolarHBondContact CG-OE1 3.36Å; K138-E142 IonicContact NZ-OE1 3.79Å; K138-E142 WeakPolarHBondContact O-CG 3.26Å; K138-E142 PolarHBondContact O-N 3.29Å |
| 139 | N | 98.6 | Very high | 98.6 | Very high | 96 Ų | 96 | 105.8 Ų | 105.8 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -38.4 | -179.1 | -69.6 | -12.5 | 0 | 0 | 0 | 111.8 | N135 F136 K143 | N135-N139 WeakPolarHBondContact O-CB 3.38Å; N135-N139 PolarHBondContact O-N 3.37Å; N135-N139 PolarHBondContact O-ND2 3.29Å; F136-N139 PolarHBondContact O-N 2.89Å; N139-K143 WeakPolarHBondContact O-CB 3.42Å; N139-K143 PolarHBondContact O-N 3.03Å |
| 140 | A | 98.7 | Very high | 98.6 | Very high | 49 Ų | 49 | 105 Ų | 105 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | F136 I137 K138 L144 | F136-A140 VanDerWaalsContact O-CB 3.26Å; F136-A140 WeakPolarHBondContact O-CB 3.21Å; F136-A140 PolarHBondContact O-N 2.99Å; I137-A140 PolarHBondContact O-N 3.45Å; K138-A140 VanDerWaalsContact C-N 3.32Å; K138-A140 PolarHBondContact O-N 3.36Å; A140-L144 WeakPolarHBondContact O-CB 3.49Å; A140-L144 PolarHBondContact O-N 3.14Å |
| 141 | K | 98.6 | Very high | 98.6 | Very high | 145 Ų | 145 | 103.6 Ų | 103.6 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.1 | -52 | 176.7 | -176.3 | -176.4 | 174.8 | -173.2 | 0 | 111.6 | I137 K138 K143 L144 E145 | I137-K141 WeakPolarHBondContact O-CB 3.19Å; I137-K141 PolarHBondContact O-N 3.5Å; K138-K141 PolarHBondContact O-N 2.93Å; K141-K143 VanDerWaalsContact C-N 3.29Å; K141-K143 PolarHBondContact O-N 3.36Å; K141-L144 PolarHBondContact O-N 2.96Å; K141-L144 VanDerWaalsContact O-N 3.15Å; K141-E145 PolarHBondContact O-N 3.46Å |
| 142 | E | 98.7 | Very high | 98.6 | Very high | 81 Ų | 81 | 103.8 Ų | 103.8 | 38% | 0.379 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.9 | -42.3 | 179.7 | -72.1 | 174.5 | -176.4 | 0 | 0 | 111.4 | K138 L144 E145 Q146 | K138-E142 WeakPolarHBondContact CE-OE1 3.35Å; K138-E142 WeakPolarHBondContact CG-OE1 3.36Å; K138-E142 IonicContact NZ-OE1 3.79Å; K138-E142 WeakPolarHBondContact O-CG 3.26Å; K138-E142 PolarHBondContact O-N 3.29Å; E142-L144 PolarHBondContact O-N 3.16Å; E142-E145 PolarHBondContact O-N 3.36Å; E142-Q146 WeakPolarHBondContact O-CB 3.38Å; E142-Q146 VanDerWaalsContact O-CG 3.29Å; E142-Q146 WeakPolarHBondContact O-CG 3.39Å; E142-Q146 PolarHBondContact O-N 2.95Å |
| 143 | K | 98.7 | Very high | 98.6 | Very high | 133 Ų | 133 | 103.9 Ų | 103.9 | 58% | 0.578 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.5 | -36.3 | 178 | -170.5 | 170.5 | -172.6 | 171.8 | 0 | 112.8 | N139 K141 K147 | N139-K143 WeakPolarHBondContact O-CB 3.42Å; N139-K143 PolarHBondContact O-N 3.03Å; K141-K143 VanDerWaalsContact C-N 3.29Å; K141-K143 PolarHBondContact O-N 3.36Å; K143-K147 WeakPolarHBondContact O-CG 3.29Å; K143-K147 PolarHBondContact O-N 3.36Å; K143-K147 VanDerWaalsContact O-N 3.16Å |
| 144 | L | 98.7 | Very high | 98.6 | Very high | 108 Ų | 108 | 105.2 Ų | 105.2 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.4 | -47.1 | 174.8 | 178.1 | 61.1 | 0 | 0 | 0 | 110.6 | A140 K141 E142 Q146 K147 M148 | A140-L144 WeakPolarHBondContact O-CB 3.49Å; A140-L144 PolarHBondContact O-N 3.14Å; K141-L144 PolarHBondContact O-N 2.96Å; K141-L144 VanDerWaalsContact O-N 3.15Å; E142-L144 PolarHBondContact O-N 3.16Å; L144-Q146 PolarHBondContact O-N 3.47Å; L144-K147 PolarHBondContact O-N 2.95Å; L144-K147 VanDerWaalsContact O-N 3.14Å; L144-M148 HydrophobicContact CD1-CG 4.19Å; L144-M148 HydrophobicContact CG-CG 4.43Å; L144-M148 WeakPolarHBondContact O-CG 3.45Å; L144-M148 PolarHBondContact O-N 2.82Å |
| 145 | E | 98.6 | Very high | 98.6 | Very high | 124 Ų | 124 | 108.2 Ų | 108.2 | 58% | 0.579 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.9 | -46.9 | 179.5 | -171.6 | 160.8 | -155.6 | 0 | 0 | 111.5 | K141 E142 K147 M148 E149 | K141-E145 PolarHBondContact O-N 3.46Å; E142-E145 PolarHBondContact O-N 3.36Å; E145-K147 VanDerWaalsContact C-N 3.33Å; E145-K147 PolarHBondContact O-N 3.42Å; E145-M148 PolarHBondContact O-N 3.03Å; E145-E149 PolarHBondContact O-N 3.46Å |
| 146 | Q | 98.7 | Very high | 98.6 | Very high | 133 Ų | 133 | 109.1 Ų | 109.1 | 62% | 0.621 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.7 | -43 | 173.8 | -73.1 | 173.2 | 6.1 | 0 | 0 | 112.8 | E142 L144 E149 A150 | E142-Q146 WeakPolarHBondContact O-CB 3.38Å; E142-Q146 VanDerWaalsContact O-CG 3.29Å; E142-Q146 WeakPolarHBondContact O-CG 3.39Å; E142-Q146 PolarHBondContact O-N 2.95Å; L144-Q146 PolarHBondContact O-N 3.47Å; Q146-E149 PolarHBondContact O-N 3.15Å; Q146-A150 WeakPolarHBondContact O-CB 3.43Å; Q146-A150 PolarHBondContact O-N 3.02Å |
| 147 | K | 98.6 | Very high | 98.6 | Very high | 140 Ų | 140 | 105 Ų | 105 | 61% | 0.609 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.6 | -37.8 | 178.3 | -80.2 | -173.7 | 174 | -169.3 | 0 | 112.5 | K143 L144 E145 N151 | K143-K147 WeakPolarHBondContact O-CG 3.29Å; K143-K147 PolarHBondContact O-N 3.36Å; K143-K147 VanDerWaalsContact O-N 3.16Å; L144-K147 PolarHBondContact O-N 2.95Å; L144-K147 VanDerWaalsContact O-N 3.14Å; E145-K147 VanDerWaalsContact C-N 3.33Å; E145-K147 PolarHBondContact O-N 3.42Å; K147-N151 VanDerWaalsContact O-CB 3.31Å; K147-N151 WeakPolarHBondContact O-CB 3.42Å; K147-N151 PolarHBondContact O-N 3.31Å |
| 148 | M | 98.6 | Very high | 98.6 | Very high | 114 Ų | 114 | 105.7 Ų | 105.7 | 56% | 0.562 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.3 | -42.3 | 178.3 | -69 | -56.4 | -63.2 | 0 | 0 | 111.1 | L144 E145 N151 K152 | L144-M148 HydrophobicContact CD1-CG 4.19Å; L144-M148 HydrophobicContact CG-CG 4.43Å; L144-M148 WeakPolarHBondContact O-CG 3.45Å; L144-M148 PolarHBondContact O-N 2.82Å; E145-M148 PolarHBondContact O-N 3.03Å; M148-N151 PolarHBondContact O-N 3.42Å; M148-K152 WeakPolarHBondContact O-CB 3.35Å; M148-K152 PolarHBondContact O-N 2.98Å |
| 149 | E | 98.6 | Very high | 98.6 | Very high | 88 Ų | 88 | 103.6 Ų | 103.6 | 41% | 0.411 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.4 | -45.8 | 177.5 | -156.5 | 61.6 | -147.3 | 0 | 0 | 111.1 | E145 Q146 N151 K152 E153 | E145-E149 PolarHBondContact O-N 3.46Å; Q146-E149 PolarHBondContact O-N 3.15Å; E149-N151 VanDerWaalsContact C-N 3.28Å; E149-N151 PolarHBondContact O-N 2.86Å; E149-K152 WeakPolarHBondContact O-CB 3.3Å; E149-K152 PolarHBondContact O-N 2.8Å; E149-K152 VanDerWaalsContact O-N 3.11Å; E149-K152 IonicContact OE1-NZ 2.81Å; E149-K152 PolarHBondContact OE1-NZ 3.04Å; E149-K152 IonicContact OE2-NZ 3.4Å; E149-E153 WeakPolarHBondContact O-CG 3.44Å; E149-E153 PolarHBondContact O-N 3.11Å |
| 150 | A | 98.6 | Very high | 98.5 | Very high | 41 Ų | 41 | 101.7 Ų | 101.7 | 34% | 0.339 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60 | -37.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q146 N154 | Q146-A150 WeakPolarHBondContact O-CB 3.43Å; Q146-A150 PolarHBondContact O-N 3.02Å; A150-N154 VanDerWaalsContact O-CB 3.3Å; A150-N154 WeakPolarHBondContact O-CB 3.31Å; A150-N154 PolarHBondContact O-N 2.95Å; A150-N154 PolarHBondContact O-ND2 3.39Å |
| 151 | N | 98.6 | Very high | 98.5 | Very high | 102 Ų | 102 | 101 Ų | 101 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 175.5 | -177.2 | -98 | 0 | 0 | 0 | 111.9 | K147 M148 E149 N154 R155 | K147-N151 VanDerWaalsContact O-CB 3.31Å; K147-N151 WeakPolarHBondContact O-CB 3.42Å; K147-N151 PolarHBondContact O-N 3.31Å; M148-N151 PolarHBondContact O-N 3.42Å; E149-N151 VanDerWaalsContact C-N 3.28Å; E149-N151 PolarHBondContact O-N 2.86Å; N151-N154 PolarHBondContact O-N 2.96Å; N151-R155 WeakPolarHBondContact O-CB 3.44Å; N151-R155 PolarHBondContact O-N 2.88Å |
| 152 | K | 98.6 | Very high | 98.5 | Very high | 95 Ų | 95 | 99 Ų | 99 | 41% | 0.413 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -50.4 | 178.1 | 177.7 | -177.8 | 154.8 | -140.6 | 0 | 111.2 | M148 E149 N154 R155 E156 | M148-K152 WeakPolarHBondContact O-CB 3.35Å; M148-K152 PolarHBondContact O-N 2.98Å; E149-K152 WeakPolarHBondContact O-CB 3.3Å; E149-K152 PolarHBondContact O-N 2.8Å; E149-K152 VanDerWaalsContact O-N 3.11Å; E149-K152 IonicContact OE1-NZ 2.81Å; E149-K152 PolarHBondContact OE1-NZ 3.04Å; E149-K152 IonicContact OE2-NZ 3.4Å; K152-N154 VanDerWaalsContact C-N 3.33Å; K152-N154 PolarHBondContact O-N 3.19Å; K152-R155 PolarHBondContact O-N 2.81Å; K152-R155 VanDerWaalsContact O-N 3.13Å; K152-E156 VanDerWaalsContact CE-OE1 3.23Å; K152-E156 WeakPolarHBondContact CE-OE1 3.23Å; K152-E156 WeakPolarHBondContact CG-OE1 3.33Å; K152-E156 WeakPolarHBondContact O-CG 3.43Å; K152-E156 PolarHBondContact O-N 3.25Å |
| 153 | E | 98.5 | Very high | 98.4 | Very high | 115 Ų | 115 | 100.1 Ų | 100.1 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.2 | -45 | 176.4 | -71.2 | 177.8 | 167 | 0 | 0 | 111.7 | E149 R155 E156 A157 | E149-E153 WeakPolarHBondContact O-CG 3.44Å; E149-E153 PolarHBondContact O-N 3.11Å; E153-R155 VanDerWaalsContact C-N 3.34Å; E153-R155 PolarHBondContact O-N 2.96Å; E153-E156 PolarHBondContact O-N 3.29Å; E153-A157 WeakPolarHBondContact O-CB 3.44Å; E153-A157 PolarHBondContact O-N 3.29Å |
| 154 | N | 98.5 | Very high | 98.4 | Very high | 113 Ų | 113 | 100.3 Ų | 100.3 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -40.6 | 176.9 | -78.1 | -43.4 | 0 | 0 | 0 | 112.4 | A150 N151 K152 L158 | A150-N154 VanDerWaalsContact O-CB 3.3Å; A150-N154 WeakPolarHBondContact O-CB 3.31Å; A150-N154 PolarHBondContact O-N 2.95Å; A150-N154 PolarHBondContact O-ND2 3.39Å; N151-N154 PolarHBondContact O-N 2.96Å; K152-N154 VanDerWaalsContact C-N 3.33Å; K152-N154 PolarHBondContact O-N 3.19Å; N154-L158 WeakPolarHBondContact O-CB 3.34Å; N154-L158 PolarHBondContact O-N 2.93Å |
| 155 | R | 98.5 | Very high | 98.3 | Very high | 156 Ų | 156 | 102.7 Ų | 102.7 | 59% | 0.589 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.3 | -42.4 | 177.7 | -174 | 178.3 | 179.1 | -77.8 | -2.1 | 111.3 | N151 K152 E153 L158 L159 | N151-R155 WeakPolarHBondContact O-CB 3.44Å; N151-R155 PolarHBondContact O-N 2.88Å; K152-R155 PolarHBondContact O-N 2.81Å; K152-R155 VanDerWaalsContact O-N 3.13Å; E153-R155 VanDerWaalsContact C-N 3.34Å; E153-R155 PolarHBondContact O-N 2.96Å; R155-L158 PolarHBondContact O-N 2.89Å; R155-L159 HydrophobicContact CG-CD1 4.37Å; R155-L159 WeakPolarHBondContact O-CG 3.46Å; R155-L159 PolarHBondContact O-N 3.42Å |
| 156 | E | 98.4 | Very high | 98.2 | Very high | 107 Ų | 107 | 101 Ų | 101 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 176.8 | -73.1 | 175.3 | -172.8 | 0 | 0 | 111.3 | K152 E153 L158 L159 A160 | K152-E156 VanDerWaalsContact CE-OE1 3.23Å; K152-E156 WeakPolarHBondContact CE-OE1 3.23Å; K152-E156 WeakPolarHBondContact CG-OE1 3.33Å; K152-E156 WeakPolarHBondContact O-CG 3.43Å; K152-E156 PolarHBondContact O-N 3.25Å; E153-E156 PolarHBondContact O-N 3.29Å; E156-L158 PolarHBondContact O-N 3.19Å; E156-L159 PolarHBondContact O-N 3.31Å; E156-A160 WeakPolarHBondContact O-CB 3.4Å; E156-A160 PolarHBondContact O-N 2.83Å |
| 157 | A | 98.4 | Very high | 98.1 | Very high | 57 Ų | 57 | 101 Ų | 101 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E153 A160 A161 | E153-A157 WeakPolarHBondContact O-CB 3.44Å; E153-A157 PolarHBondContact O-N 3.29Å; A157-A160 PolarHBondContact O-N 3.28Å; A157-A161 WeakPolarHBondContact O-CB 3.36Å; A157-A161 PolarHBondContact O-N 3.01Å |
| 158 | L | 98.3 | Very high | 97.9 | Very high | 107 Ų | 107 | 97.9 Ų | 97.9 | 56% | 0.56 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62 | -45.4 | 176.3 | 178 | 63 | 0 | 0 | 0 | 111.9 | N154 R155 E156 M162 | N154-L158 WeakPolarHBondContact O-CB 3.34Å; N154-L158 PolarHBondContact O-N 2.93Å; R155-L158 PolarHBondContact O-N 2.89Å; E156-L158 PolarHBondContact O-N 3.19Å; L158-M162 PolarHBondContact O-N 3.49Å |
| 159 | L | 98.2 | Very high | 97.8 | Very high | 72 Ų | 72 | 99.4 Ų | 99.4 | 38% | 0.377 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 178 | -71.6 | 173.8 | 0 | 0 | 0 | 111.3 | R155 E156 A161 M162 L163 | R155-L159 HydrophobicContact CG-CD1 4.37Å; R155-L159 WeakPolarHBondContact O-CG 3.46Å; R155-L159 PolarHBondContact O-N 3.42Å; E156-L159 PolarHBondContact O-N 3.31Å; L159-A161 PolarHBondContact O-N 3.18Å; L159-M162 WeakPolarHBondContact O-CB 3.36Å; L159-M162 PolarHBondContact O-N 3.05Å; L159-L163 WeakPolarHBondContact O-CG 3.39Å; L159-L163 PolarHBondContact O-N 3.43Å |
| 160 | A | 98.4 | Very high | 97.5 | Very high | 55 Ų | 55 | 98.3 Ų | 98.3 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.4 | -48.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | E156 A157 M162 L163 E164 | E156-A160 WeakPolarHBondContact O-CB 3.4Å; E156-A160 PolarHBondContact O-N 2.83Å; A157-A160 PolarHBondContact O-N 3.28Å; A160-M162 VanDerWaalsContact C-N 3.27Å; A160-M162 PolarHBondContact O-N 3.44Å; A160-L163 PolarHBondContact O-N 3.02Å; A160-E164 WeakPolarHBondContact O-CB 3.4Å; A160-E164 PolarHBondContact O-N 3.41Å |
| 161 | A | 98.1 | Very high | 97.2 | Very high | 36 Ų | 36 | 102.6 Ų | 102.6 | 30% | 0.298 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -29.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A157 L159 R165 | A157-A161 WeakPolarHBondContact O-CB 3.36Å; A157-A161 PolarHBondContact O-N 3.01Å; L159-A161 PolarHBondContact O-N 3.18Å; A161-R165 WeakPolarHBondContact O-CG 3.5Å; A161-R165 PolarHBondContact O-N 2.93Å; A161-R165 PolarHBondContact O-NE 2.81Å |
| 162 | M | 97.8 | Very high | 96.9 | Very high | 102 Ų | 102 | 102.1 Ų | 102.1 | 50% | 0.502 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.6 | -46.1 | 172.8 | -176.1 | -179 | -75.5 | 0 | 0 | 111.2 | L158 L159 A160 R165 L166 | L158-M162 PolarHBondContact O-N 3.49Å; L159-M162 WeakPolarHBondContact O-CB 3.36Å; L159-M162 PolarHBondContact O-N 3.05Å; A160-M162 VanDerWaalsContact C-N 3.27Å; A160-M162 PolarHBondContact O-N 3.44Å; M162-R165 PolarHBondContact O-N 3.4Å; M162-L166 WeakPolarHBondContact O-CG 3.34Å; M162-L166 PolarHBondContact O-N 2.9Å; M162-L166 VanDerWaalsContact O-N 3.16Å |
| 163 | L | 97.8 | Very high | 96.4 | Very high | 104 Ų | 104 | 104.5 Ų | 104.5 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 179.3 | -71.7 | 172.6 | 0 | 0 | 0 | 111.8 | L159 A160 R165 L166 Q167 | L159-L163 WeakPolarHBondContact O-CG 3.39Å; L159-L163 PolarHBondContact O-N 3.43Å; A160-L163 PolarHBondContact O-N 3.02Å; L163-R165 PolarHBondContact O-N 2.89Å; L163-L166 PolarHBondContact O-N 3.13Å; L163-L166 VanDerWaalsContact O-N 3.15Å; L163-Q167 WeakPolarHBondContact O-CG 3.37Å; L163-Q167 PolarHBondContact O-N 3.42Å |
| 164 | E | 97.5 | Very high | 95.9 | Very high | 137 Ų | 137 | 105.6 Ų | 105.6 | 64% | 0.64 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.8 | -45.3 | 177.4 | -172.8 | 177.7 | -167.7 | 0 | 0 | 111.5 | A160 L166 Q167 E168 | A160-E164 WeakPolarHBondContact O-CB 3.4Å; A160-E164 PolarHBondContact O-N 3.41Å; E164-L166 VanDerWaalsContact C-N 3.29Å; E164-L166 PolarHBondContact O-N 3.46Å; E164-Q167 PolarHBondContact O-N 3.21Å; E164-E168 PolarHBondContact O-N 2.91Å |
| 165 | R | 97 | Very high | 95.3 | Very high | 159 Ų | 159 | 104.9 Ų | 104.9 | 60% | 0.6 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.2 | -37 | 175.2 | -77.8 | -176 | -80.7 | -167.1 | -3.5 | 112.9 | A161 M162 L163 K169 | A161-R165 WeakPolarHBondContact O-CG 3.5Å; A161-R165 PolarHBondContact O-N 2.93Å; A161-R165 PolarHBondContact O-NE 2.81Å; M162-R165 PolarHBondContact O-N 3.4Å; L163-R165 PolarHBondContact O-N 2.89Å; R165-K169 WeakPolarHBondContact O-CG 3.35Å; R165-K169 PolarHBondContact O-N 3.2Å |
| 166 | L | 96.8 | Very high | 94.7 | Very high | 88 Ų | 88 | 102.3 Ų | 102.3 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.9 | -40.3 | 176 | -70.2 | 172.9 | 0 | 0 | 0 | 112.1 | M162 L163 E164 E168 K169 N170 | M162-L166 WeakPolarHBondContact O-CG 3.34Å; M162-L166 PolarHBondContact O-N 2.9Å; M162-L166 VanDerWaalsContact O-N 3.16Å; L163-L166 PolarHBondContact O-N 3.13Å; L163-L166 VanDerWaalsContact O-N 3.15Å; E164-L166 VanDerWaalsContact C-N 3.29Å; E164-L166 PolarHBondContact O-N 3.46Å; L166-E168 VanDerWaalsContact C-N 3.34Å; L166-K169 PolarHBondContact O-N 2.87Å; L166-N170 PolarHBondContact O-N 3.33Å; L166-N170 PolarHBondContact O-ND2 3.15Å |
| 167 | Q | 95.9 | Very high | 93.8 | Very high | 132 Ų | 132 | 104.8 Ų | 104.8 | 62% | 0.617 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.2 | -41.8 | 175.8 | -73.8 | 178.3 | -5.1 | 0 | 0 | 111.5 | L163 E164 N170 R171 | L163-Q167 WeakPolarHBondContact O-CG 3.37Å; L163-Q167 PolarHBondContact O-N 3.42Å; E164-Q167 PolarHBondContact O-N 3.21Å; Q167-N170 WeakPolarHBondContact O-CB 3.45Å; Q167-N170 PolarHBondContact O-N 3.02Å; Q167-R171 PolarHBondContact O-N 3.28Å |
| 168 | E | 95.4 | Very high | 92.4 | Very high | 75 Ų | 75 | 109.8 Ų | 109.8 | 35% | 0.35 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 177.3 | -174.7 | 57.9 | -165.8 | 0 | 0 | 111.8 | E164 L166 N170 R171 I172 | E164-E168 PolarHBondContact O-N 2.91Å; L166-E168 VanDerWaalsContact C-N 3.34Å; E168-N170 VanDerWaalsContact C-N 3.25Å; E168-N170 PolarHBondContact O-N 2.89Å; E168-R171 WeakPolarHBondContact O-CA 3.41Å; E168-R171 WeakPolarHBondContact O-CB 3.46Å; E168-R171 PolarHBondContact O-N 3.21Å; E168-R171 IonicContact OE1-CZ 2.96Å; E168-R171 IonicContact OE1-NE 2.7Å; E168-R171 PolarHBondContact OE1-NE 3.16Å; E168-R171 IonicContact OE1-NH2 3.72Å; E168-R171 PolarHBondContact OE1-NH2 2.91Å; E168-R171 IonicContact OE2-CZ 3.96Å; E168-R171 VanDerWaalsContact OE2-CZ 3.3Å; E168-R171 IonicContact OE2-NE 3.17Å; E168-R171 PolarHBondContact OE2-NE 3.41Å; E168-R171 IonicContact OE2-NH2 2.98Å; E168-R171 PolarHBondContact OE2-NH2 3.46Å; E168-I172 HydrophobicContact CG-CD1 4.16Å; E168-I172 WeakPolarHBondContact O-CG1 3.5Å; E168-I172 PolarHBondContact O-N 3.29Å |
| 169 | K | 95.3 | Very high | 90.6 | Very high | 147 Ų | 147 | 112.3 Ų | 112.3 | 64% | 0.639 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -55.8 | -41.4 | 172.3 | -76.4 | -178.5 | 176.5 | -177 | 0 | 112.2 | R165 L166 R173 | R165-K169 WeakPolarHBondContact O-CG 3.35Å; R165-K169 PolarHBondContact O-N 3.2Å; L166-K169 PolarHBondContact O-N 2.87Å; K169-R173 WeakPolarHBondContact O-CB 3.36Å; K169-R173 PolarHBondContact O-N 3.38Å |
| 170 | N | 93.6 | Very high | 90.2 | Very high | 65 Ų | 65 | 114.4 Ų | 114.4 | 35% | 0.348 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.3 | -33 | 176.1 | -77.5 | -38.9 | 0 | 0 | 0 | 113 | L166 Q167 E168 R173 R174 | L166-N170 PolarHBondContact O-N 3.33Å; L166-N170 PolarHBondContact O-ND2 3.15Å; Q167-N170 WeakPolarHBondContact O-CB 3.45Å; Q167-N170 PolarHBondContact O-N 3.02Å; E168-N170 VanDerWaalsContact C-N 3.25Å; E168-N170 PolarHBondContact O-N 2.89Å; N170-R173 PolarHBondContact OD1-NH2 3.46Å; N170-R174 WeakPolarHBondContact O-CG 3.42Å; N170-R174 PolarHBondContact O-N 2.97Å; N170-R174 VanDerWaalsContact O-N 3.12Å; N170-R174 PolarHBondContact O-NE 3.29Å; N170-R174 VanDerWaalsContact O-NE 3.15Å |
| 171 | R | 92.3 | Very high | 89.7 | Confident | 130 Ų | 130 | 117.5 Ų | 117.5 | 49% | 0.491 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.5 | -49.1 | 174.3 | -168.8 | 175.9 | 75 | 140.9 | 6.1 | 110.8 | Q167 E168 R173 R174 N175 | Q167-R171 PolarHBondContact O-N 3.28Å; E168-R171 WeakPolarHBondContact O-CA 3.41Å; E168-R171 WeakPolarHBondContact O-CB 3.46Å; E168-R171 PolarHBondContact O-N 3.21Å; E168-R171 IonicContact OE1-CZ 2.96Å; E168-R171 IonicContact OE1-NE 2.7Å; E168-R171 PolarHBondContact OE1-NE 3.16Å; E168-R171 IonicContact OE1-NH2 3.72Å; E168-R171 PolarHBondContact OE1-NH2 2.91Å; E168-R171 IonicContact OE2-CZ 3.96Å; E168-R171 VanDerWaalsContact OE2-CZ 3.3Å; E168-R171 IonicContact OE2-NE 3.17Å; E168-R171 PolarHBondContact OE2-NE 3.41Å; E168-R171 IonicContact OE2-NH2 2.98Å; E168-R171 PolarHBondContact OE2-NH2 3.46Å; R171-R173 PolarHBondContact O-N 3.19Å; R171-R174 PolarHBondContact O-N 2.73Å; R171-R174 VanDerWaalsContact O-N 3.13Å; R171-N175 PolarHBondContact O-N 3Å; R171-N175 PolarHBondContact O-OD1 3.42Å |
| 172 | I | 91.8 | Very high | 89.3 | Confident | 92 Ų | 92 | 122 Ų | 122 | 47% | 0.472 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -56.1 | -50.2 | 175.8 | -65 | 166.6 | 0 | 0 | 0 | 110.4 | E168 R174 N175 V176 | E168-I172 HydrophobicContact CG-CD1 4.16Å; E168-I172 WeakPolarHBondContact O-CG1 3.5Å; E168-I172 PolarHBondContact O-N 3.29Å; I172-R174 VanDerWaalsContact C-N 3.29Å; I172-R174 PolarHBondContact O-N 3.14Å; I172-N175 PolarHBondContact O-N 3.31Å; I172-V176 HydrophobicContact CG2-CG2 4.47Å; I172-V176 WeakPolarHBondContact O-CG2 3.42Å; I172-V176 PolarHBondContact O-N 3.01Å |
| 173 | R | 89 | Confident | 88.8 | Confident | 145 Ų | 145 | 123.2 Ų | 123.2 | 55% | 0.547 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.2 | -38.1 | 178.5 | -175.5 | -178.5 | 65.4 | 179.6 | -2.9 | 112.8 | K169 N170 R171 K177 | K169-R173 WeakPolarHBondContact O-CB 3.36Å; K169-R173 PolarHBondContact O-N 3.38Å; N170-R173 PolarHBondContact OD1-NH2 3.46Å; R171-R173 PolarHBondContact O-N 3.19Å; R173-K177 WeakPolarHBondContact O-CG 3.39Å; R173-K177 PolarHBondContact O-N 2.97Å |
| 174 | R | 86.6 | Confident | 88.2 | Confident | 139 Ų | 139 | 124.4 Ų | 124.4 | 53% | 0.525 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.7 | -48.4 | 175.9 | -81.2 | 179.4 | -74.6 | 160 | -5.3 | 110.7 | N170 R171 I172 V176 K177 H178 | N170-R174 WeakPolarHBondContact O-CG 3.42Å; N170-R174 PolarHBondContact O-N 2.97Å; N170-R174 VanDerWaalsContact O-N 3.12Å; N170-R174 PolarHBondContact O-NE 3.29Å; N170-R174 VanDerWaalsContact O-NE 3.15Å; R171-R174 PolarHBondContact O-N 2.73Å; R171-R174 VanDerWaalsContact O-N 3.13Å; I172-R174 VanDerWaalsContact C-N 3.29Å; I172-R174 PolarHBondContact O-N 3.14Å; R174-V176 VanDerWaalsContact C-N 3.32Å; R174-V176 PolarHBondContact O-N 3.33Å; R174-K177 PolarHBondContact O-N 3.06Å; R174-H178 PolarHBondContact O-N 3.36Å; R174-H178 PolarHBondContact O-ND1 3.15Å |
| 175 | N | 86.2 | Confident | 87.6 | Confident | 97 Ų | 97 | 123.5 Ų | 123.5 | 52% | 0.519 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -59.8 | -41.5 | -179.7 | -66.1 | -6 | 0 | 0 | 0 | 112.1 | R171 I172 K177 H178 S179 | R171-N175 PolarHBondContact O-N 3Å; R171-N175 PolarHBondContact O-OD1 3.42Å; I172-N175 PolarHBondContact O-N 3.31Å; N175-K177 VanDerWaalsContact C-N 3.3Å; N175-K177 PolarHBondContact O-N 3.13Å; N175-H178 PolarHBondContact O-N 3.12Å; N175-H178 VanDerWaalsContact O-N 3.14Å; N175-S179 PolarHBondContact O-N 3.03Å; N175-S179 PolarHBondContact O-OG 3.43Å |
| 176 | V | 86.4 | Confident | 86.9 | Confident | 102 Ų | 102 | 121 Ų | 121 | 62% | 0.618 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.3 | -34.5 | 175.4 | 173.3 | 0 | 0 | 0 | 0 | 112.5 | I172 R174 H178 | I172-V176 HydrophobicContact CG2-CG2 4.47Å; I172-V176 WeakPolarHBondContact O-CG2 3.42Å; I172-V176 PolarHBondContact O-N 3.01Å; R174-V176 VanDerWaalsContact C-N 3.32Å; R174-V176 PolarHBondContact O-N 3.33Å; V176-H178 VanDerWaalsContact C-N 3.27Å; V176-H178 PolarHBondContact O-N 3.21Å |
| 177 | K | 78.8 | Confident | 86.2 | Confident | 160 Ų | 160 | 123.5 Ų | 123.5 | 70% | 0.696 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -73.5 | -15.8 | 177.1 | -74.2 | -176.4 | 176.4 | -165.6 | 0 | 114.2 | R173 R174 N175 | R173-K177 WeakPolarHBondContact O-CG 3.39Å; R173-K177 PolarHBondContact O-N 2.97Å; R174-K177 PolarHBondContact O-N 3.06Å; N175-K177 VanDerWaalsContact C-N 3.3Å; N175-K177 PolarHBondContact O-N 3.13Å |
| 178 | H | 69.2 | Low | 85.4 | Confident | 161 Ų | 161 | 122.8 Ų | 122.8 | 75% | 0.745 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 4.4 | -177 | -64.3 | 69.9 | 0 | 0 | 0 | 112.5 | R174 N175 V176 | R174-H178 PolarHBondContact O-N 3.36Å; R174-H178 PolarHBondContact O-ND1 3.15Å; N175-H178 PolarHBondContact O-N 3.12Å; N175-H178 VanDerWaalsContact O-N 3.14Å; V176-H178 VanDerWaalsContact C-N 3.27Å; V176-H178 PolarHBondContact O-N 3.21Å |
| 179 | S | 59.8 | Low | 84.4 | Confident | 161 Ų | 161 | 127.2 Ų | 127.2 | 100% | 1.126 | 61% | 0.611 | S | S | * | * | trans | -102.1 | 0 | 167 | -64.5 | 0 | 0 | 0 | 0 | 109.7 | N175 | N175-S179 PolarHBondContact O-N 3.03Å; N175-S179 PolarHBondContact O-OG 3.43Å |
Retrieved 179 of 179 residues in 375.4 ms
(Link to these results)