| 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 | N | 38.7 | Very low | 51.5 | Low | 216 Ų | 216 | 157.5 Ų | 157.5 | 100% | 1.155 | 84% | 0.843 | S | S | * | * | 0 | 133.4 | 0 | -69.1 | -7.7 | 0 | 0 | 0 | 109.8 | |||||
| 2 | Q | 42.3 | Very low | 54.1 | Low | 183 Ų | 183 | 155 Ų | 155 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | trans | 35.3 | 95.4 | 167.8 | -73.6 | 171.8 | -15.3 | 0 | 0 | 117.4 | F4 | Q2-F4 PolarHBondContact O-N 2.94Š| ||
| 3 | I | 43.5 | Very low | 56.5 | Low | 164 Ų | 164 | 148.5 Ų | 148.5 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | trans | -56.1 | 127.8 | 150.9 | -62.9 | 165.5 | 0 | 0 | 0 | 107.3 | S5 | I3-S5 PolarHBondContact O-N 2.82Š| ||
| 4 | F | 48.1 | Very low | 58.7 | Low | 203 Ų | 203 | 141.4 Ų | 141.4 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | trans | -68.3 | 101.2 | 168.4 | -97.9 | -98.8 | 0 | 0 | 0 | 108.5 | Q2 G6 | Q2-F4 PolarHBondContact O-N 2.94Å; F4-G6 PolarHBondContact O-N 2.93Å | ||
| 5 | S | 47.4 | Very low | 60.5 | Low | 94 Ų | 94 | 134.5 Ų | 134.5 | 66% | 0.657 | 71% | 0.713 | S | S | * | * | trans | -63 | 127.9 | 169.1 | 47.4 | 0 | 0 | 0 | 0 | 109.1 | I3 R7 | I3-S5 PolarHBondContact O-N 2.82Å; S5-R7 VanDerWaalsContact C-N 3.31Å; S5-R7 PolarHBondContact O-N 2.66Å | ||
| 6 | G | 49.9 | Very low | 62.1 | Low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 70% | 0.704 | S | S | * | * | trans | -66 | 85.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F4 F8 | F4-G6 PolarHBondContact O-N 2.93Å; G6-F8 PolarHBondContact O-N 3.41Å | ||
| 7 | R | 50.5 | Low | 63.7 | Low | 231 Ų | 231 | 126.4 Ų | 126.4 | 87% | 0.872 | 68% | 0.675 | S | S | * | * | trans | -63 | 104.9 | 164.7 | -69.9 | -175.9 | 178.1 | -174.6 | -1.1 | 107.6 | S5 L9 | S5-R7 VanDerWaalsContact C-N 3.31Å; S5-R7 PolarHBondContact O-N 2.66Å; R7-L9 PolarHBondContact O-N 3.25Å; R7-L9 VanDerWaalsContact O-N 3.13Å | ||
| 8 | F | 55 | Low | 65.1 | Low | 201 Ų | 201 | 127.9 Ų | 127.9 | 88% | 0.882 | 67% | 0.674 | S | S | * | * | trans | -49.8 | 121.5 | 163.5 | -80.4 | -93.9 | 0 | 0 | 0 | 108.1 | G6 P10 | G6-F8 PolarHBondContact O-N 3.41Å; F8-P10 WeakPolarHBondContact O-CD 3.08Å | ||
| 9 | L | 62.1 | Low | 66.3 | Low | 149 Ų | 149 | 130.3 Ų | 130.3 | 78% | 0.78 | 68% | 0.681 | S | S | * | * | trans | -60.3 | 121.4 | 179.5 | -79.5 | 167.8 | 0 | 0 | 0 | 108.8 | R7 A11 | R7-L9 PolarHBondContact O-N 3.25Å; R7-L9 VanDerWaalsContact O-N 3.13Å; L9-A11 PolarHBondContact O-N 3.46Å | ||
| 10 | P | 59.2 | Low | 67.5 | Low | 121 Ų | 121 | 126.6 Ų | 126.6 | 79% | 0.786 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 108 | -179.1 | -22.2 | 33.7 | 0 | 0 | 0 | 110.5 | F8 Y12 | F8-P10 WeakPolarHBondContact O-CD 3.08Å; P10-Y12 PolarHBondContact O-N 2.81Å; P10-Y12 VanDerWaalsContact O-N 3.13Å |
| 11 | A | 69.9 | Low | 68.4 | Low | 98 Ų | 98 | 122.9 Ų | 122.9 | 81% | 0.81 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 37.2 | 58.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115 | L9 N13 | L9-A11 PolarHBondContact O-N 3.46Å; A11-N13 PolarHBondContact O-N 3.33Å; A11-N13 VanDerWaalsContact O-N 3.09Å |
| 12 | Y | 83.3 | Confident | 70.8 | Confident | 128 Ų | 128 | 119.1 Ų | 119.1 | 50% | 0.502 | 63% | 0.629 | S | S | . | * | trans | -54.2 | 118.3 | 172.8 | 165.8 | -92.6 | 0 | 0 | 0 | 110 | P10 S14 D17 | P10-Y12 PolarHBondContact O-N 2.81Å; P10-Y12 VanDerWaalsContact O-N 3.13Å; Y12-S14 WeakPolarHBondContact CE1-OG 3.36Å; Y12-D17 HydrophobicContact CE2-CB 4.25Å; Y12-D17 WeakPolarHBondContact OH-CB 3.48Å; Y12-D17 PolarHBondContact OH-OD2 3.28Å | ||
| 13 | N | 84.1 | Confident | 73.2 | Confident | 70 Ų | 70 | 117.1 Ų | 117.1 | 37% | 0.374 | 62% | 0.615 | S | S | . | * | trans | -104.2 | 103 | -177.6 | 178.2 | 2.5 | 0 | 0 | 0 | 109.8 | A11 L15 T16 | A11-N13 PolarHBondContact O-N 3.33Å; A11-N13 VanDerWaalsContact O-N 3.09Å; N13-L15 PolarHBondContact O-N 3.46Å; N13-L15 VanDerWaalsContact O-N 3.14Å; N13-L15 WeakPolarHBondContact OD1-CB 3.39Å; N13-L15 PolarHBondContact OD1-N 3.33Å; N13-L15 VanDerWaalsContact OD1-N 3.09Å; N13-T16 WeakPolarHBondContact CB-OG1 3.44Å; N13-T16 PolarHBondContact O-N 2.99Å; N13-T16 PolarHBondContact O-OG1 2.86Å | ||
| 14 | S | 87.6 | Confident | 75.4 | Confident | 49 Ų | 49 | 111.2 Ų | 111.2 | 34% | 0.343 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -53.4 | -35 | 179.8 | -49.2 | 0 | 0 | 0 | 0 | 113.2 | Y12 T16 D17 F24 | Y12-S14 WeakPolarHBondContact CE1-OG 3.36Å; S14-T16 PolarHBondContact O-N 3.18Å; S14-T16 VanDerWaalsContact O-N 3.15Å; S14-D17 PolarHBondContact O-N 2.88Å; S14-D17 VanDerWaalsContact O-N 3.08Å; S14-F24 VanDerWaalsContact O-CE2 3.23Å; S14-F24 WeakPolarHBondContact O-CE2 3.28Å |
| 15 | L | 86.1 | Confident | 77.2 | Confident | 39 Ų | 39 | 105.2 Ų | 105.2 | 20% | 0.204 | 57% | 0.566 | C | S | . | * | G | 310 helix | trans | -65.9 | -16.3 | -179.9 | -59 | 179.3 | 0 | 0 | 0 | 113.1 | N13 F24 L33 L38 I45 | N13-L15 PolarHBondContact O-N 3.46Å; N13-L15 VanDerWaalsContact O-N 3.14Å; N13-L15 WeakPolarHBondContact OD1-CB 3.39Å; N13-L15 PolarHBondContact OD1-N 3.33Å; N13-L15 VanDerWaalsContact OD1-N 3.09Å; L15-F24 HydrophobicContact CD2-CD1 4Å; L15-F24 HydrophobicContact CD2-CD2 4.33Å; L15-F24 HydrophobicContact CD2-CE1 3.83Å; L15-F24 HydrophobicContact CD2-CE2 4.19Å; L15-F24 HydrophobicContact CD2-CG 4.26Å; L15-F24 HydrophobicContact CD2-CZ 3.94Å; L15-L33 HydrophobicContact CD2-CD1 3.7Å; L15-L33 HydrophobicContact CD2-CD2 4.12Å; L15-L38 HydrophobicContact CD1-CB 4.19Å; L15-I45 HydrophobicContact CB-CD1 3.9Å; L15-I45 HydrophobicContact CB-CG1 4.29Å; L15-I45 HydrophobicContact CD1-CG2 4.16Å; L15-I45 WeakPolarHBondContact O-CD1 3.3Å |
| 16 | T | 85.6 | Confident | 79.4 | Confident | 94 Ų | 94 | 104.3 Ų | 104.3 | 58% | 0.577 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -102.2 | -0.6 | 175.2 | 52.7 | 0 | 0 | 0 | 0 | 114.1 | N13 S14 K18 I45 | N13-T16 WeakPolarHBondContact CB-OG1 3.44Å; N13-T16 PolarHBondContact O-N 2.99Å; N13-T16 PolarHBondContact O-OG1 2.86Å; S14-T16 PolarHBondContact O-N 3.18Å; S14-T16 VanDerWaalsContact O-N 3.15Å; T16-K18 PolarHBondContact O-N 2.88Å; T16-I45 HydrophobicContact CG2-CD1 3.58Å |
| 17 | D | 89.1 | Confident | 81.3 | Confident | 37 Ų | 37 | 105 Ų | 105 | 20% | 0.198 | 55% | 0.547 | C | S | . | . | trans | -79.4 | 117.7 | 177.1 | -166.3 | -10.3 | 0 | 0 | 0 | 111.5 | Y12 S14 H19 L20 A21 | Y12-D17 HydrophobicContact CE2-CB 4.25Å; Y12-D17 WeakPolarHBondContact OH-CB 3.48Å; Y12-D17 PolarHBondContact OH-OD2 3.28Å; S14-D17 PolarHBondContact O-N 2.88Å; S14-D17 VanDerWaalsContact O-N 3.08Å; D17-H19 PolarHBondContact O-N 3.08Å; D17-H19 VanDerWaalsContact O-N 3.16Å; D17-H19 IonicContact OD1-CD2 3.28Å; D17-H19 PolarHBondContact OD1-CD2 2.75Å; D17-H19 IonicContact OD1-CG 3.21Å; D17-H19 PolarHBondContact OD1-N 3.43Å; D17-L20 HydrophobicContact CB-CB 4.38Å; D17-L20 HydrophobicContact CB-CD1 4.28Å; D17-L20 HydrophobicContact CB-CG 4.22Å; D17-L20 PolarHBondContact O-N 2.9Å; D17-A21 PolarHBondContact O-N 2.8Å | ||
| 18 | K | 88.6 | Confident | 83.4 | Confident | 153 Ų | 153 | 103.8 Ų | 103.8 | 67% | 0.665 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -46.8 | -35 | 168.2 | 48.5 | 163.5 | 179.5 | 162.6 | 0 | 113.7 | T16 L20 A21 | T16-K18 PolarHBondContact O-N 2.88Å; K18-L20 VanDerWaalsContact C-N 3.29Å; K18-L20 PolarHBondContact O-N 3.17Å; K18-A21 WeakPolarHBondContact O-CB 3.21Å; K18-A21 PolarHBondContact O-N 3.5Å |
| 19 | H | 89.3 | Confident | 85.2 | Confident | 173 Ų | 173 | 95.7 Ų | 95.7 | 80% | 0.801 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -79.8 | -11.6 | -178.8 | -63 | -65.7 | 0 | 0 | 0 | 113.5 | D17 | D17-H19 PolarHBondContact O-N 3.08Å; D17-H19 VanDerWaalsContact O-N 3.16Å; D17-H19 IonicContact OD1-CD2 3.28Å; D17-H19 PolarHBondContact OD1-CD2 2.75Å; D17-H19 IonicContact OD1-CG 3.21Å; D17-H19 PolarHBondContact OD1-N 3.43Å |
| 20 | L | 89.3 | Confident | 86.6 | Confident | 57 Ų | 57 | 93.5 Ų | 93.5 | 30% | 0.298 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -108.4 | 1 | 173.7 | -58.5 | 178.7 | 0 | 0 | 0 | 112.4 | D17 K18 D22 Y23 F24 | D17-L20 HydrophobicContact CB-CB 4.38Å; D17-L20 HydrophobicContact CB-CD1 4.28Å; D17-L20 HydrophobicContact CB-CG 4.22Å; D17-L20 PolarHBondContact O-N 2.9Å; K18-L20 VanDerWaalsContact C-N 3.29Å; K18-L20 PolarHBondContact O-N 3.17Å; L20-D22 VanDerWaalsContact C-N 3.32Å; L20-D22 PolarHBondContact O-N 3.23Å; L20-Y23 WeakPolarHBondContact O-CB 3.39Å; L20-Y23 PolarHBondContact O-N 3.45Å; L20-Y23 VanDerWaalsContact O-N 3.15Å; L20-F24 HydrophobicContact CB-CD2 3.79Å; L20-F24 HydrophobicContact CB-CE2 3.49Å; L20-F24 VanDerWaalsContact CB-CE2 3.49Å; L20-F24 HydrophobicContact CD1-CE2 4Å; L20-F24 HydrophobicContact CD1-CZ 4.49Å; L20-F24 HydrophobicContact CG-CE2 4.39Å; L20-F24 WeakPolarHBondContact O-CD2 3.34Å; L20-F24 PolarHBondContact O-N 3.18Å |
| 21 | A | 86.6 | Confident | 88.3 | Confident | 49 Ų | 49 | 95 Ų | 95 | 41% | 0.405 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -56.1 | -44.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D17 K18 Y23 F24 S25 | D17-A21 PolarHBondContact O-N 2.8Å; K18-A21 WeakPolarHBondContact O-CB 3.21Å; K18-A21 PolarHBondContact O-N 3.5Å; A21-Y23 PolarHBondContact O-N 3.49Å; A21-F24 PolarHBondContact O-N 3.18Å; A21-S25 WeakPolarHBondContact O-CB 3.4Å; A21-S25 PolarHBondContact O-N 2.85Å |
| 22 | D | 90.2 | Very high | 89.4 | Confident | 137 Ų | 137 | 96 Ų | 96 | 73% | 0.733 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.9 | -40.5 | 178.5 | -64.4 | -24.2 | 0 | 0 | 0 | 112 | L20 S25 N26 | L20-D22 VanDerWaalsContact C-N 3.32Å; L20-D22 PolarHBondContact O-N 3.23Å; D22-S25 WeakPolarHBondContact O-CB 3.49Å; D22-S25 PolarHBondContact O-N 2.92Å; D22-S25 PolarHBondContact O-OG 2.97Å; D22-N26 PolarHBondContact O-N 2.87Å |
| 23 | Y | 91.8 | Very high | 89.9 | Confident | 141 Ų | 141 | 90.6 Ų | 90.6 | 55% | 0.553 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.9 | -45.1 | 175.5 | 177.3 | -96.5 | 0 | 0 | 0 | 111.5 | L20 A21 S25 N26 I29 | L20-Y23 WeakPolarHBondContact O-CB 3.39Å; L20-Y23 PolarHBondContact O-N 3.45Å; L20-Y23 VanDerWaalsContact O-N 3.15Å; A21-Y23 PolarHBondContact O-N 3.49Å; Y23-S25 VanDerWaalsContact C-N 3.34Å; Y23-N26 WeakPolarHBondContact O-CB 3.49Å; Y23-N26 PolarHBondContact O-N 2.99Å; Y23-I29 HydrophobicContact CD1-CD1 4.1Å; Y23-I29 HydrophobicContact CD1-CG2 4.5Å; Y23-I29 HydrophobicContact CD2-CD1 3.77Å; Y23-I29 HydrophobicContact CE1-CD1 3.81Å; Y23-I29 HydrophobicContact CE1-CG2 4.21Å; Y23-I29 HydrophobicContact CE2-CD1 3.45Å; Y23-I29 VanDerWaalsContact CE2-CD1 3.45Å; Y23-I29 HydrophobicContact CG-CD1 4.07Å; Y23-I29 VanDerWaalsContact CZ-CD1 3.46Å; Y23-I29 VanDerWaalsContact O-CD1 3.25Å; Y23-I29 WeakPolarHBondContact O-CD1 3.31Å |
| 24 | F | 89.4 | Confident | 90.2 | Very high | 39 Ų | 39 | 90 Ų | 90 | 17% | 0.171 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -76.4 | -18.3 | 177.4 | -63.9 | -55.9 | 0 | 0 | 0 | 114 | S14 L15 L20 A21 N26 I29 L33 | S14-F24 VanDerWaalsContact O-CE2 3.23Å; S14-F24 WeakPolarHBondContact O-CE2 3.28Å; L15-F24 HydrophobicContact CD2-CD1 4Å; L15-F24 HydrophobicContact CD2-CD2 4.33Å; L15-F24 HydrophobicContact CD2-CE1 3.83Å; L15-F24 HydrophobicContact CD2-CE2 4.19Å; L15-F24 HydrophobicContact CD2-CG 4.26Å; L15-F24 HydrophobicContact CD2-CZ 3.94Å; L20-F24 HydrophobicContact CB-CD2 3.79Å; L20-F24 HydrophobicContact CB-CE2 3.49Å; L20-F24 VanDerWaalsContact CB-CE2 3.49Å; L20-F24 HydrophobicContact CD1-CE2 4Å; L20-F24 HydrophobicContact CD1-CZ 4.49Å; L20-F24 HydrophobicContact CG-CE2 4.39Å; L20-F24 WeakPolarHBondContact O-CD2 3.34Å; L20-F24 PolarHBondContact O-N 3.18Å; A21-F24 PolarHBondContact O-N 3.18Å; F24-N26 VanDerWaalsContact C-N 3.28Å; F24-N26 PolarHBondContact O-N 3.13Å; F24-I29 HydrophobicContact CD1-CG2 3.74Å; F24-I29 HydrophobicContact CE1-CG2 4.38Å; F24-L33 HydrophobicContact CD1-CD1 3.57Å; F24-L33 HydrophobicContact CE1-CD1 4.15Å; F24-L33 HydrophobicContact CG-CD1 4.32Å |
| 25 | S | 85.9 | Confident | 90.4 | Very high | 77 Ų | 77 | 98.2 Ų | 98.2 | 54% | 0.538 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.3 | -29.2 | 173.5 | 84.1 | 0 | 0 | 0 | 0 | 112.8 | A21 D22 Y23 S27 | A21-S25 WeakPolarHBondContact O-CB 3.4Å; A21-S25 PolarHBondContact O-N 2.85Å; D22-S25 WeakPolarHBondContact O-CB 3.49Å; D22-S25 PolarHBondContact O-N 2.92Å; D22-S25 PolarHBondContact O-OG 2.97Å; Y23-S25 VanDerWaalsContact C-N 3.34Å; S25-S27 PolarHBondContact O-N 3.38Å |
| 26 | N | 93.3 | Very high | 90.7 | Very high | 76 Ų | 76 | 98 Ų | 98 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -53.5 | 127.5 | -177.5 | -178.6 | -47.9 | 0 | 0 | 0 | 111.3 | D22 Y23 F24 R28 I29 R30 | D22-N26 PolarHBondContact O-N 2.87Å; Y23-N26 WeakPolarHBondContact O-CB 3.49Å; Y23-N26 PolarHBondContact O-N 2.99Å; F24-N26 VanDerWaalsContact C-N 3.28Å; F24-N26 PolarHBondContact O-N 3.13Å; N26-R28 PolarHBondContact O-N 3.46Å; N26-R28 VanDerWaalsContact O-N 3.13Å; N26-R28 WeakPolarHBondContact OD1-CB 3.24Å; N26-R28 PolarHBondContact OD1-N 3.39Å; N26-I29 HydrophobicContact CB-CB 4.33Å; N26-I29 HydrophobicContact CB-CD1 4.05Å; N26-I29 HydrophobicContact CB-CG1 4.45Å; N26-I29 PolarHBondContact O-N 3.21Å; N26-R30 WeakPolarHBondContact O-CB 3.28Å; N26-R30 PolarHBondContact O-N 3.01Å |
| 27 | S | 91.1 | Very high | 90.9 | Very high | 85 Ų | 85 | 94.9 Ų | 94.9 | 59% | 0.594 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -58 | -31.7 | -173 | 68.2 | 0 | 0 | 0 | 0 | 114.1 | S25 K31 | S25-S27 PolarHBondContact O-N 3.38Å; S27-K31 VanDerWaalsContact O-CB 3.26Å; S27-K31 WeakPolarHBondContact O-CB 3.29Å; S27-K31 WeakPolarHBondContact O-CG 3.45Å; S27-K31 PolarHBondContact O-N 2.99Å |
| 28 | R | 94.4 | Very high | 91 | Very high | 207 Ų | 207 | 95.7 Ų | 95.7 | 78% | 0.781 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -68.8 | -44.7 | 175.3 | -179.1 | 179 | 175.5 | 177.3 | -1.3 | 111.5 | N26 H32 | N26-R28 PolarHBondContact O-N 3.46Å; N26-R28 VanDerWaalsContact O-N 3.13Å; N26-R28 WeakPolarHBondContact OD1-CB 3.24Å; N26-R28 PolarHBondContact OD1-N 3.39Å; R28-H32 PolarHBondContact O-N 2.97Å; R28-H32 VanDerWaalsContact O-N 3.08Å |
| 29 | I | 93.1 | Very high | 91.2 | Very high | 31 Ų | 31 | 89.3 Ų | 89.3 | 16% | 0.159 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -73.4 | -42.1 | -178.4 | -66.8 | 162.9 | 0 | 0 | 0 | 110 | Y23 F24 N26 K31 H32 L33 | Y23-I29 HydrophobicContact CD1-CD1 4.1Å; Y23-I29 HydrophobicContact CD1-CG2 4.5Å; Y23-I29 HydrophobicContact CD2-CD1 3.77Å; Y23-I29 HydrophobicContact CE1-CD1 3.81Å; Y23-I29 HydrophobicContact CE1-CG2 4.21Å; Y23-I29 HydrophobicContact CE2-CD1 3.45Å; Y23-I29 VanDerWaalsContact CE2-CD1 3.45Å; Y23-I29 HydrophobicContact CG-CD1 4.07Å; Y23-I29 VanDerWaalsContact CZ-CD1 3.46Å; Y23-I29 VanDerWaalsContact O-CD1 3.25Å; Y23-I29 WeakPolarHBondContact O-CD1 3.31Å; F24-I29 HydrophobicContact CD1-CG2 3.74Å; F24-I29 HydrophobicContact CE1-CG2 4.38Å; N26-I29 HydrophobicContact CB-CB 4.33Å; N26-I29 HydrophobicContact CB-CD1 4.05Å; N26-I29 HydrophobicContact CB-CG1 4.45Å; N26-I29 PolarHBondContact O-N 3.21Å; I29-K31 PolarHBondContact O-N 2.86Å; I29-H32 WeakPolarHBondContact O-CB 3.29Å; I29-H32 PolarHBondContact O-N 2.96Å; I29-H32 VanDerWaalsContact O-N 3.11Å; I29-L33 HydrophobicContact CG2-CD1 4.14Å; I29-L33 WeakPolarHBondContact O-CG 3.43Å; I29-L33 PolarHBondContact O-N 3.35Å |
| 30 | R | 91.4 | Very high | 91.2 | Very high | 102 Ų | 102 | 83.4 Ų | 83.4 | 39% | 0.385 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60 | -43.9 | 172.1 | -171.3 | 171.4 | 174.4 | 170.6 | -1.5 | 112.1 | N26 H32 L33 L34 | N26-R30 WeakPolarHBondContact O-CB 3.28Å; N26-R30 PolarHBondContact O-N 3.01Å; R30-H32 VanDerWaalsContact C-N 3.3Å; R30-H32 PolarHBondContact O-N 2.94Å; R30-L33 PolarHBondContact O-N 3.02Å; R30-L34 HydrophobicContact CG-CD1 4.24Å; R30-L34 WeakPolarHBondContact O-CB 3.37Å; R30-L34 WeakPolarHBondContact O-CG 3.48Å; R30-L34 PolarHBondContact O-N 3.37Å |
| 31 | K | 93.8 | Very high | 91.2 | Very high | 153 Ų | 153 | 89.7 Ų | 89.7 | 67% | 0.665 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -58.5 | -39.8 | 171.9 | -81.6 | 176.1 | 178.5 | -174.6 | 0 | 112.3 | S27 I29 R35 | S27-K31 VanDerWaalsContact O-CB 3.26Å; S27-K31 WeakPolarHBondContact O-CB 3.29Å; S27-K31 WeakPolarHBondContact O-CG 3.45Å; S27-K31 PolarHBondContact O-N 2.99Å; I29-K31 PolarHBondContact O-N 2.86Å; K31-R35 WeakPolarHBondContact O-CB 3.26Å; K31-R35 PolarHBondContact O-N 3.3Å; K31-R35 VanDerWaalsContact O-N 3.08Å |
| 32 | H | 94.3 | Very high | 91.3 | Very high | 119 Ų | 119 | 91.3 Ų | 91.3 | 55% | 0.551 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.5 | -47.7 | 175.4 | -179.1 | 86.3 | 0 | 0 | 0 | 112.1 | R28 I29 R30 L34 R35 A36 | R28-H32 PolarHBondContact O-N 2.97Å; R28-H32 VanDerWaalsContact O-N 3.08Å; I29-H32 WeakPolarHBondContact O-CB 3.29Å; I29-H32 PolarHBondContact O-N 2.96Å; I29-H32 VanDerWaalsContact O-N 3.11Å; R30-H32 VanDerWaalsContact C-N 3.3Å; R30-H32 PolarHBondContact O-N 2.94Å; H32-L34 VanDerWaalsContact C-N 3.34Å; H32-L34 PolarHBondContact O-N 2.92Å; H32-R35 CarbonylContact O-C 3.56Å; H32-R35 PolarHBondContact O-N 3.4Å; H32-R35 VanDerWaalsContact O-N 3.15Å; H32-A36 WeakPolarHBondContact O-CB 3.45Å; H32-A36 PolarHBondContact O-N 3.02Å |
| 33 | L | 92.4 | Very high | 91 | Very high | 14 Ų | 14 | 86.3 Ų | 86.3 | 7% | 0.073 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -66.9 | -32.1 | 179.9 | -68.4 | 173.6 | 0 | 0 | 0 | 113.6 | L15 F24 I29 R30 G37 L38 I39 | L15-L33 HydrophobicContact CD2-CD1 3.7Å; L15-L33 HydrophobicContact CD2-CD2 4.12Å; F24-L33 HydrophobicContact CD1-CD1 3.57Å; F24-L33 HydrophobicContact CE1-CD1 4.15Å; F24-L33 HydrophobicContact CG-CD1 4.32Å; I29-L33 HydrophobicContact CG2-CD1 4.14Å; I29-L33 WeakPolarHBondContact O-CG 3.43Å; I29-L33 PolarHBondContact O-N 3.35Å; R30-L33 PolarHBondContact O-N 3.02Å; L33-G37 PolarHBondContact O-N 2.89Å; L33-L38 HydrophobicContact CD2-CB 4.39Å; L33-L38 HydrophobicContact CD2-CD1 3.9Å; L33-L38 PolarHBondContact O-N 3.5Å; L33-L38 VanDerWaalsContact O-N 3.13Å; L33-I39 HydrophobicContact CB-CB 4.33Å; L33-I39 HydrophobicContact CB-CD1 4.03Å; L33-I39 HydrophobicContact CB-CG1 4.18Å; L33-I39 HydrophobicContact CD1-CD1 3.73Å; L33-I39 PolarHBondContact O-N 3.06Å |
| 34 | L | 91.8 | Very high | 90.9 | Very high | 58 Ų | 58 | 88.8 Ų | 88.8 | 30% | 0.304 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.3 | -49.8 | 168.2 | -73.4 | 167.7 | 0 | 0 | 0 | 111 | R30 H32 A36 G37 I39 T40 | R30-L34 HydrophobicContact CG-CD1 4.24Å; R30-L34 WeakPolarHBondContact O-CB 3.37Å; R30-L34 WeakPolarHBondContact O-CG 3.48Å; R30-L34 PolarHBondContact O-N 3.37Å; H32-L34 VanDerWaalsContact C-N 3.34Å; H32-L34 PolarHBondContact O-N 2.92Å; L34-A36 VanDerWaalsContact C-N 3.28Å; L34-A36 PolarHBondContact O-N 3.26Å; L34-G37 PolarHBondContact O-N 2.95Å; L34-I39 HydrophobicContact CD2-CG2 4.38Å; L34-T40 WeakPolarHBondContact CD2-O 3.46Å |
| 35 | R | 91.6 | Very high | 90.9 | Very high | 222 Ų | 222 | 90 Ų | 90 | 84% | 0.838 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -69.4 | -25.2 | 179.8 | -163.9 | 170.3 | 75.1 | -177.9 | 6.4 | 113.1 | K31 H32 G37 | K31-R35 WeakPolarHBondContact O-CB 3.26Å; K31-R35 PolarHBondContact O-N 3.3Å; K31-R35 VanDerWaalsContact O-N 3.08Å; H32-R35 CarbonylContact O-C 3.56Å; H32-R35 PolarHBondContact O-N 3.4Å; H32-R35 VanDerWaalsContact O-N 3.15Å; R35-G37 VanDerWaalsContact C-N 3.3Å |
| 36 | A | 90.7 | Very high | 91.2 | Very high | 33 Ų | 33 | 87 Ų | 87 | 27% | 0.273 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -1.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | H32 L34 L38 Y51 | H32-A36 WeakPolarHBondContact O-CB 3.45Å; H32-A36 PolarHBondContact O-N 3.02Å; L34-A36 VanDerWaalsContact C-N 3.28Å; L34-A36 PolarHBondContact O-N 3.26Å; A36-L38 HydrophobicContact CB-CD1 4.4Å; A36-L38 HydrophobicContact CB-CG 4.29Å; A36-L38 PolarHBondContact O-N 3.19Å; A36-L38 VanDerWaalsContact O-N 3.12Å; A36-Y51 WeakPolarHBondContact O-CE2 3.38Å |
| 37 | G | 90.1 | Very high | 91.1 | Very high | 29 Ų | 29 | 86.8 Ų | 86.8 | 30% | 0.299 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 6.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L33 L34 R35 V46 | L33-G37 PolarHBondContact O-N 2.89Å; L34-G37 PolarHBondContact O-N 2.95Å; R35-G37 VanDerWaalsContact C-N 3.3Å; G37-V46 WeakPolarHBondContact O-CG2 3.31Å |
| 38 | L | 91.2 | Very high | 91 | Very high | 54 Ų | 54 | 88.5 Ų | 88.5 | 28% | 0.283 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -79.5 | -20.8 | 179.8 | -62.4 | 177.4 | 0 | 0 | 0 | 112.6 | L15 L33 A36 V46 Y51 | L15-L38 HydrophobicContact CD1-CB 4.19Å; L33-L38 HydrophobicContact CD2-CB 4.39Å; L33-L38 HydrophobicContact CD2-CD1 3.9Å; L33-L38 PolarHBondContact O-N 3.5Å; L33-L38 VanDerWaalsContact O-N 3.13Å; A36-L38 HydrophobicContact CB-CD1 4.4Å; A36-L38 HydrophobicContact CB-CG 4.29Å; A36-L38 PolarHBondContact O-N 3.19Å; A36-L38 VanDerWaalsContact O-N 3.12Å; L38-V46 PolarHBondContact O-N 3.31Å; L38-Y51 HydrophobicContact CD2-CD1 4.02Å; L38-Y51 HydrophobicContact CD2-CD2 4.15Å; L38-Y51 HydrophobicContact CD2-CE1 3.83Å; L38-Y51 HydrophobicContact CD2-CE2 3.99Å; L38-Y51 HydrophobicContact CD2-CG 4.18Å |
| 39 | I | 92.8 | Very high | 90.9 | Very high | 19 Ų | 19 | 87.6 Ų | 87.6 | 10% | 0.097 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -132.5 | 143.3 | 176.7 | -65.3 | -175 | 0 | 0 | 0 | 108.8 | L33 L34 R44 | L33-I39 HydrophobicContact CB-CB 4.33Å; L33-I39 HydrophobicContact CB-CD1 4.03Å; L33-I39 HydrophobicContact CB-CG1 4.18Å; L33-I39 HydrophobicContact CD1-CD1 3.73Å; L33-I39 PolarHBondContact O-N 3.06Å; L34-I39 HydrophobicContact CD2-CG2 4.38Å; I39-R44 WeakPolarHBondContact CA-O 3.43Å |
| 40 | T | 91 | Very high | 90.9 | Very high | 49 Ų | 49 | 90.4 Ų | 90.4 | 30% | 0.301 | 43% | 0.434 | S | S | . | . | trans | -84.5 | 161.7 | 174.3 | 54.8 | 0 | 0 | 0 | 0 | 112.6 | L34 S42 G43 R44 V46 | L34-T40 WeakPolarHBondContact CD2-O 3.46Å; T40-S42 PolarHBondContact O-N 3.34Å; T40-S42 PolarHBondContact OG1-OG 2.62Å; T40-G43 PolarHBondContact O-N 2.85Å; T40-R44 PolarHBondContact N-O 2.79Å; T40-R44 PolarHBondContact OG1-N 3.38Å; T40-R44 PolarHBondContact OG1-O 3.45Å; T40-R44 VanDerWaalsContact OG1-O 3.09Å; T40-V46 HydrophobicContact CG2-CG2 3.74Å | ||
| 41 | R | 89.1 | Confident | 90.9 | Very high | 189 Ų | 189 | 88.8 Ų | 88.8 | 71% | 0.713 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.9 | -39.9 | 176.1 | -68.7 | 172.8 | 92.2 | 148.5 | 7.8 | 112.5 | G43 D473 | R41-G43 VanDerWaalsContact C-N 3.27Å; R41-G43 PolarHBondContact O-N 3.33Å; R41-D473 IonicContact NH1-OD1 3.48Å; R41-D473 IonicContact NH1-OD2 3.94Å; R41-D473 IonicContact NH2-OD1 3.78Å |
| 42 | S | 87.5 | Confident | 90.9 | Very high | 83 Ų | 83 | 88.4 Ų | 88.4 | 58% | 0.58 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -8.9 | 177.9 | 70.9 | 0 | 0 | 0 | 0 | 116.5 | T40 | T40-S42 PolarHBondContact O-N 3.34Å; T40-S42 PolarHBondContact OG1-OG 2.62Å |
| 43 | G | 83.9 | Confident | 90.9 | Very high | 33 Ų | 33 | 88.4 Ų | 88.4 | 34% | 0.34 | 42% | 0.422 | S | S | . | . | S | Bend | trans | 90.9 | -0.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | T40 R41 | T40-G43 PolarHBondContact O-N 2.85Å; R41-G43 VanDerWaalsContact C-N 3.27Å; R41-G43 PolarHBondContact O-N 3.33Å |
| 44 | R | 90 | Very high | 90.8 | Very high | 193 Ų | 193 | 91.7 Ų | 91.7 | 73% | 0.728 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -76.3 | 132.8 | 176.1 | -59.1 | 178.7 | -176.5 | -169.8 | 0.6 | 111.1 | I39 T40 | I39-R44 WeakPolarHBondContact CA-O 3.43Å; T40-R44 PolarHBondContact N-O 2.79Å; T40-R44 PolarHBondContact OG1-N 3.38Å; T40-R44 PolarHBondContact OG1-O 3.45Å; T40-R44 VanDerWaalsContact OG1-O 3.09Å |
| 45 | I | 90.5 | Very high | 90.9 | Very high | 65 Ų | 65 | 92.9 Ų | 92.9 | 33% | 0.333 | 44% | 0.442 | S | S | . | . | B | Isolated β-bridge | trans | -62.5 | 134.8 | 171.7 | -54.7 | 168.6 | 0 | 0 | 0 | 109.1 | L15 T16 | L15-I45 HydrophobicContact CB-CD1 3.9Å; L15-I45 HydrophobicContact CB-CG1 4.29Å; L15-I45 HydrophobicContact CD1-CG2 4.16Å; L15-I45 WeakPolarHBondContact O-CD1 3.3Å; T16-I45 HydrophobicContact CG2-CD1 3.58Å |
| 46 | V | 91.7 | Very high | 91.1 | Very high | 14 Ų | 14 | 87.3 Ų | 87.3 | 9% | 0.085 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 126.4 | 179.3 | 177.9 | 0 | 0 | 0 | 0 | 109.6 | G37 L38 T40 E50 | G37-V46 WeakPolarHBondContact O-CG2 3.31Å; L38-V46 PolarHBondContact O-N 3.31Å; T40-V46 HydrophobicContact CG2-CG2 3.74Å; V46-E50 HydrophobicContact CG1-CB 3.79Å |
| 47 | P | 91.6 | Very high | 91.3 | Very high | 70 Ų | 70 | 90 Ų | 90 | 46% | 0.455 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -59 | 141 | 174.6 | -24.5 | 34.3 | 0 | 0 | 0 | 111.9 | K49 E50 Y51 | P47-K49 PolarHBondContact O-N 3.04Å; P47-K49 VanDerWaalsContact O-N 3.09Å; P47-E50 WeakPolarHBondContact CD-OE1 3.41Å; P47-E50 WeakPolarHBondContact O-CB 3.48Å; P47-E50 PolarHBondContact O-N 3.46Å; P47-Y51 PolarHBondContact O-N 2.98Å |
| 48 | E | 88.8 | Confident | 91.5 | Very high | 121 Ų | 121 | 91.7 Ų | 91.7 | 57% | 0.565 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -55.2 | -36.2 | -175.3 | -166 | -169.4 | -179.9 | 0 | 0 | 113.1 | E50 Y51 R52 | E48-E50 PolarHBondContact O-N 3.1Å; E48-Y51 PolarHBondContact O-N 3.22Å; E48-R52 HydrophobicContact CG-CG 4.34Å; E48-R52 WeakPolarHBondContact O-CB 3.39Å; E48-R52 VanDerWaalsContact O-CG 3.31Å; E48-R52 WeakPolarHBondContact O-CG 3.33Å; E48-R52 PolarHBondContact O-N 2.83Å; E48-R52 IonicContact OE1-CZ 2.77Å; E48-R52 IonicContact OE1-NE 3.66Å; E48-R52 PolarHBondContact OE1-NE 2.99Å; E48-R52 IonicContact OE1-NH2 3.78Å; E48-R52 PolarHBondContact OE1-NH2 3.47Å |
| 49 | K | 91.8 | Very high | 91.8 | Very high | 189 Ų | 189 | 91.7 Ų | 91.7 | 82% | 0.822 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.7 | -44 | 175.6 | -64.2 | -176.3 | 179.2 | -178.5 | 0 | 112.4 | P47 H53 | P47-K49 PolarHBondContact O-N 3.04Å; P47-K49 VanDerWaalsContact O-N 3.09Å; K49-H53 WeakPolarHBondContact O-CB 3.22Å; K49-H53 PolarHBondContact O-N 2.83Å; K49-H53 VanDerWaalsContact O-N 3.08Å |
| 50 | E | 92.1 | Very high | 92 | Very high | 89 Ų | 89 | 95.4 Ų | 95.4 | 42% | 0.416 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.4 | -40.8 | 176.1 | -70.6 | -176.2 | -139.6 | 0 | 0 | 111.9 | V46 P47 E48 H53 K54 | V46-E50 HydrophobicContact CG1-CB 3.79Å; P47-E50 WeakPolarHBondContact CD-OE1 3.41Å; P47-E50 WeakPolarHBondContact O-CB 3.48Å; P47-E50 PolarHBondContact O-N 3.46Å; E48-E50 PolarHBondContact O-N 3.1Å; E50-H53 PolarHBondContact O-N 2.89Å; E50-K54 WeakPolarHBondContact O-CB 3.35Å; E50-K54 WeakPolarHBondContact O-CD 3.2Å; E50-K54 VanDerWaalsContact O-CG 3.31Å; E50-K54 WeakPolarHBondContact O-CG 3.29Å; E50-K54 PolarHBondContact O-N 2.96Å; E50-K54 IonicContact OE2-NZ 3.41Å; E50-K54 PolarHBondContact OE2-NZ 3.45Å |
| 51 | Y | 92.3 | Very high | 92.2 | Very high | 68 Ų | 68 | 97.7 Ų | 97.7 | 27% | 0.267 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62 | -47.6 | 179.3 | 177 | -117.7 | 0 | 0 | 0 | 111.1 | A36 L38 P47 E48 H53 K54 L55 | A36-Y51 WeakPolarHBondContact O-CE2 3.38Å; L38-Y51 HydrophobicContact CD2-CD1 4.02Å; L38-Y51 HydrophobicContact CD2-CD2 4.15Å; L38-Y51 HydrophobicContact CD2-CE1 3.83Å; L38-Y51 HydrophobicContact CD2-CE2 3.99Å; L38-Y51 HydrophobicContact CD2-CG 4.18Å; P47-Y51 PolarHBondContact O-N 2.98Å; E48-Y51 PolarHBondContact O-N 3.22Å; Y51-H53 PolarHBondContact O-N 3.01Å; Y51-K54 PolarHBondContact O-N 3.34Å; Y51-L55 HydrophobicContact CD1-CD1 4.05Å; Y51-L55 HydrophobicContact CE1-CD1 3.56Å; Y51-L55 HydrophobicContact CE2-CD1 4.1Å; Y51-L55 HydrophobicContact CE2-CG 4.2Å; Y51-L55 PolarHBondContact O-N 3.25Å |
| 52 | R | 93.4 | Very high | 92.6 | Very high | 146 Ų | 146 | 93.3 Ų | 93.3 | 55% | 0.551 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59 | -42.9 | 172.8 | -71.2 | 173.8 | 178 | -138.3 | 9 | 112 | E48 L55 I56 | E48-R52 HydrophobicContact CG-CG 4.34Å; E48-R52 WeakPolarHBondContact O-CB 3.39Å; E48-R52 VanDerWaalsContact O-CG 3.31Å; E48-R52 WeakPolarHBondContact O-CG 3.33Å; E48-R52 PolarHBondContact O-N 2.83Å; E48-R52 IonicContact OE1-CZ 2.77Å; E48-R52 IonicContact OE1-NE 3.66Å; E48-R52 PolarHBondContact OE1-NE 2.99Å; E48-R52 IonicContact OE1-NH2 3.78Å; E48-R52 PolarHBondContact OE1-NH2 3.47Å; R52-L55 PolarHBondContact O-N 3.44Å; R52-I56 WeakPolarHBondContact O-CG1 3.38Å; R52-I56 PolarHBondContact O-N 2.59Å |
| 53 | H | 94.1 | Very high | 93.1 | Very high | 118 Ų | 118 | 94.8 Ų | 94.8 | 55% | 0.546 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 176.3 | -175.3 | -81.1 | 0 | 0 | 0 | 112.2 | K49 E50 Y51 L55 I56 Q57 | K49-H53 WeakPolarHBondContact O-CB 3.22Å; K49-H53 PolarHBondContact O-N 2.83Å; K49-H53 VanDerWaalsContact O-N 3.08Å; E50-H53 PolarHBondContact O-N 2.89Å; Y51-H53 PolarHBondContact O-N 3.01Å; H53-L55 PolarHBondContact O-N 2.97Å; H53-I56 PolarHBondContact O-N 3.35Å; H53-Q57 WeakPolarHBondContact O-CB 3.3Å; H53-Q57 PolarHBondContact O-N 2.95Å |
| 54 | K | 91.6 | Very high | 93.7 | Very high | 84 Ų | 84 | 97.3 Ų | 97.3 | 37% | 0.365 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | 177.7 | -72.9 | 159.9 | 179.7 | 159.3 | 0 | 111.9 | E50 Y51 T58 | E50-K54 WeakPolarHBondContact O-CB 3.35Å; E50-K54 WeakPolarHBondContact O-CD 3.2Å; E50-K54 VanDerWaalsContact O-CG 3.31Å; E50-K54 WeakPolarHBondContact O-CG 3.29Å; E50-K54 PolarHBondContact O-N 2.96Å; E50-K54 IonicContact OE2-NZ 3.41Å; E50-K54 PolarHBondContact OE2-NZ 3.45Å; Y51-K54 PolarHBondContact O-N 3.34Å; K54-T58 WeakPolarHBondContact O-CB 3.36Å; K54-T58 WeakPolarHBondContact O-CG2 3.27Å; K54-T58 PolarHBondContact O-N 3.04Å; K54-T58 PolarHBondContact O-OG1 2.9Å |
| 55 | L | 93.9 | Very high | 94.1 | Very high | 82 Ų | 82 | 94.1 Ų | 94.1 | 43% | 0.429 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 171.1 | -82.8 | 168.9 | 0 | 0 | 0 | 112.2 | Y51 R52 H53 T58 A59 | Y51-L55 HydrophobicContact CD1-CD1 4.05Å; Y51-L55 HydrophobicContact CE1-CD1 3.56Å; Y51-L55 HydrophobicContact CE2-CD1 4.1Å; Y51-L55 HydrophobicContact CE2-CG 4.2Å; Y51-L55 PolarHBondContact O-N 3.25Å; R52-L55 PolarHBondContact O-N 3.44Å; H53-L55 PolarHBondContact O-N 2.97Å; L55-T58 PolarHBondContact O-N 3.3Å; L55-T58 PolarHBondContact O-OG1 2.86Å; L55-A59 VanDerWaalsContact O-CB 3.25Å; L55-A59 WeakPolarHBondContact O-CB 3.28Å; L55-A59 PolarHBondContact O-N 3.07Å |
| 56 | I | 95.6 | Very high | 94.4 | Very high | 105 Ų | 105 | 96.2 Ų | 96.2 | 54% | 0.538 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 178.9 | -66.5 | 163.9 | 0 | 0 | 0 | 110.7 | R52 H53 T58 A59 N60 | R52-I56 WeakPolarHBondContact O-CG1 3.38Å; R52-I56 PolarHBondContact O-N 2.59Å; H53-I56 PolarHBondContact O-N 3.35Å; I56-T58 PolarHBondContact O-N 2.88Å; I56-A59 PolarHBondContact O-N 3.24Å; I56-N60 WeakPolarHBondContact O-CB 3.22Å; I56-N60 PolarHBondContact O-N 3.37Å; I56-N60 PolarHBondContact O-OD1 3.32Å |
| 57 | Q | 95.3 | Very high | 94.7 | Very high | 91 Ų | 91 | 98.2 Ų | 98.2 | 43% | 0.425 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 178.8 | -174.3 | 175.8 | 10 | 0 | 0 | 112.3 | H53 Q61 | H53-Q57 WeakPolarHBondContact O-CB 3.3Å; H53-Q57 PolarHBondContact O-N 2.95Å; Q57-Q61 WeakPolarHBondContact O-CB 3.41Å; Q57-Q61 VanDerWaalsContact O-CG 3.28Å; Q57-Q61 WeakPolarHBondContact O-CG 3.35Å; Q57-Q61 PolarHBondContact O-N 2.78Å |
| 58 | T | 94.1 | Very high | 95.1 | Very high | 64 Ų | 64 | 99.8 Ų | 99.8 | 39% | 0.393 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.6 | -37.8 | 177.8 | 49.6 | 0 | 0 | 0 | 0 | 112.4 | K54 L55 I56 N60 Q61 N62 | K54-T58 WeakPolarHBondContact O-CB 3.36Å; K54-T58 WeakPolarHBondContact O-CG2 3.27Å; K54-T58 PolarHBondContact O-N 3.04Å; K54-T58 PolarHBondContact O-OG1 2.9Å; L55-T58 PolarHBondContact O-N 3.3Å; L55-T58 PolarHBondContact O-OG1 2.86Å; I56-T58 PolarHBondContact O-N 2.88Å; T58-N60 PolarHBondContact O-N 2.88Å; T58-Q61 PolarHBondContact O-N 2.85Å; T58-N62 WeakPolarHBondContact O-CB 3.39Å; T58-N62 PolarHBondContact O-N 2.78Å; T58-N62 PolarHBondContact O-ND2 3.07Å; T58-N62 PolarHBondContact O-OD1 2.84Å |
| 59 | A | 96.1 | Very high | 95.5 | Very high | 53 Ų | 53 | 96.5 Ų | 96.5 | 44% | 0.438 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L55 I56 N62 H63 | L55-A59 VanDerWaalsContact O-CB 3.25Å; L55-A59 WeakPolarHBondContact O-CB 3.28Å; L55-A59 PolarHBondContact O-N 3.07Å; I56-A59 PolarHBondContact O-N 3.24Å; A59-N62 PolarHBondContact O-N 3.06Å; A59-H63 WeakPolarHBondContact O-CB 3.4Å; A59-H63 PolarHBondContact O-N 2.88Å |
| 60 | N | 97.3 | Very high | 95.8 | Very high | 97 Ų | 97 | 92.8 Ų | 92.8 | 52% | 0.519 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 176.4 | -69.6 | -6.3 | 0 | 0 | 0 | 112 | I56 T58 H63 V64 | I56-N60 WeakPolarHBondContact O-CB 3.22Å; I56-N60 PolarHBondContact O-N 3.37Å; I56-N60 PolarHBondContact O-OD1 3.32Å; T58-N60 PolarHBondContact O-N 2.88Å; N60-H63 PolarHBondContact O-N 3.21Å; N60-V64 WeakPolarHBondContact O-CG2 3.45Å; N60-V64 PolarHBondContact O-N 3.46Å |
| 61 | Q | 96.6 | Very high | 96.1 | Very high | 98 Ų | 98 | 91 Ų | 91 | 46% | 0.458 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 174.9 | -76.5 | 170.9 | -20.2 | 0 | 0 | 111.9 | Q57 T58 V64 Q65 | Q57-Q61 WeakPolarHBondContact O-CB 3.41Å; Q57-Q61 VanDerWaalsContact O-CG 3.28Å; Q57-Q61 WeakPolarHBondContact O-CG 3.35Å; Q57-Q61 PolarHBondContact O-N 2.78Å; T58-Q61 PolarHBondContact O-N 2.85Å; Q61-V64 PolarHBondContact O-N 3.03Å; Q61-Q65 WeakPolarHBondContact O-CG 3.4Å; Q61-Q65 PolarHBondContact O-N 2.88Å |
| 62 | N | 96 | Very high | 96.4 | Very high | 97 Ų | 97 | 93 Ų | 93 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 177.1 | -67.6 | -13 | 0 | 0 | 0 | 111.3 | T58 A59 Q65 E66 | T58-N62 WeakPolarHBondContact O-CB 3.39Å; T58-N62 PolarHBondContact O-N 2.78Å; T58-N62 PolarHBondContact O-ND2 3.07Å; T58-N62 PolarHBondContact O-OD1 2.84Å; A59-N62 PolarHBondContact O-N 3.06Å; N62-Q65 PolarHBondContact O-N 3.33Å; N62-E66 WeakPolarHBondContact O-CB 3.34Å; N62-E66 PolarHBondContact O-N 3.49Å |
| 63 | H | 97.9 | Very high | 96.6 | Very high | 113 Ų | 113 | 90.2 Ų | 90.2 | 52% | 0.523 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 176.5 | -178.8 | 51.7 | 0 | 0 | 0 | 112.1 | A59 N60 Q65 E66 C67 | A59-H63 WeakPolarHBondContact O-CB 3.4Å; A59-H63 PolarHBondContact O-N 2.88Å; N60-H63 PolarHBondContact O-N 3.21Å; H63-Q65 PolarHBondContact O-N 2.92Å; H63-E66 PolarHBondContact O-N 3.31Å; H63-C67 VanDerWaalsContact CE1-SG 3.55Å; H63-C67 PolarHBondContact O-N 3.31Å; H63-C67 PolarHBondContact O-SG 2.85Å; H63-C67 VanDerWaalsContact O-SG 3.37Å |
| 64 | V | 98 | Very high | 96.8 | Very high | 87 Ų | 87 | 90.1 Ų | 90.1 | 53% | 0.527 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 174.6 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | N60 Q61 E66 C67 L68 | N60-V64 WeakPolarHBondContact O-CG2 3.45Å; N60-V64 PolarHBondContact O-N 3.46Å; Q61-V64 PolarHBondContact O-N 3.03Å; V64-E66 VanDerWaalsContact C-N 3.34Å; V64-C67 PolarHBondContact O-N 3.24Å; V64-L68 HydrophobicContact CG1-CD1 4.04Å; V64-L68 WeakPolarHBondContact O-CB 3.21Å; V64-L68 VanDerWaalsContact O-CG 3.26Å; V64-L68 WeakPolarHBondContact O-CG 3.4Å; V64-L68 PolarHBondContact O-N 2.95Å |
| 65 | Q | 97.5 | Very high | 97.1 | Very high | 126 Ų | 126 | 91.4 Ų | 91.4 | 59% | 0.589 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.8 | -39.7 | 173.9 | -73.3 | 177.6 | 21.2 | 0 | 0 | 112.1 | Q61 N62 H63 L68 A69 | Q61-Q65 WeakPolarHBondContact O-CG 3.4Å; Q61-Q65 PolarHBondContact O-N 2.88Å; N62-Q65 PolarHBondContact O-N 3.33Å; H63-Q65 PolarHBondContact O-N 2.92Å; Q65-L68 PolarHBondContact O-N 2.75Å; Q65-A69 WeakPolarHBondContact O-CB 3.3Å; Q65-A69 PolarHBondContact O-N 2.96Å |
| 66 | E | 97.4 | Very high | 97.3 | Very high | 108 Ų | 108 | 91.6 Ų | 91.6 | 51% | 0.505 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.9 | -47.6 | 176.8 | -166 | -174.2 | 168.6 | 0 | 0 | 111.5 | N62 H63 V64 L68 A69 Q70 | N62-E66 WeakPolarHBondContact O-CB 3.34Å; N62-E66 PolarHBondContact O-N 3.49Å; H63-E66 PolarHBondContact O-N 3.31Å; V64-E66 VanDerWaalsContact C-N 3.34Å; E66-L68 VanDerWaalsContact C-N 3.29Å; E66-L68 PolarHBondContact O-N 3.48Å; E66-A69 WeakPolarHBondContact O-CB 3.47Å; E66-A69 PolarHBondContact O-N 2.81Å; E66-A69 VanDerWaalsContact O-N 3.11Å; E66-Q70 HydrophobicContact CG-CG 4.43Å; E66-Q70 WeakPolarHBondContact O-CB 3.5Å; E66-Q70 WeakPolarHBondContact O-CG 3.18Å; E66-Q70 PolarHBondContact O-N 3.38Å; E66-Q70 PolarHBondContact OE1-NE2 2.88Å |
| 67 | C | 98.1 | Very high | 97.4 | Very high | 57 Ų | 57 | 91.9 Ų | 91.9 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.7 | -40.3 | 175.1 | -68.7 | 0 | 0 | 0 | 0 | 112.1 | H63 V64 A71 | H63-C67 VanDerWaalsContact CE1-SG 3.55Å; H63-C67 PolarHBondContact O-N 3.31Å; H63-C67 PolarHBondContact O-SG 2.85Å; H63-C67 VanDerWaalsContact O-SG 3.37Å; V64-C67 PolarHBondContact O-N 3.24Å; C67-A71 VanDerWaalsContact O-CB 3.28Å; C67-A71 WeakPolarHBondContact O-CB 3.31Å; C67-A71 PolarHBondContact O-N 2.78Å |
| 68 | L | 98.3 | Very high | 97.6 | Very high | 103 Ų | 103 | 90.2 Ų | 90.2 | 54% | 0.539 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 173.7 | -73.2 | 169.3 | 0 | 0 | 0 | 111.9 | V64 Q65 E66 A71 I72 | V64-L68 HydrophobicContact CG1-CD1 4.04Å; V64-L68 WeakPolarHBondContact O-CB 3.21Å; V64-L68 VanDerWaalsContact O-CG 3.26Å; V64-L68 WeakPolarHBondContact O-CG 3.4Å; V64-L68 PolarHBondContact O-N 2.95Å; Q65-L68 PolarHBondContact O-N 2.75Å; E66-L68 VanDerWaalsContact C-N 3.29Å; E66-L68 PolarHBondContact O-N 3.48Å; L68-A71 PolarHBondContact O-N 3.36Å; L68-I72 WeakPolarHBondContact O-CB 3.5Å; L68-I72 WeakPolarHBondContact O-CD1 3.49Å; L68-I72 VanDerWaalsContact O-CG1 3.23Å; L68-I72 WeakPolarHBondContact O-CG1 3.32Å; L68-I72 PolarHBondContact O-N 3.41Å |
| 69 | A | 98.3 | Very high | 97.7 | Very high | 51 Ų | 51 | 96.4 Ų | 96.4 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q65 E66 I72 V73 | Q65-A69 WeakPolarHBondContact O-CB 3.3Å; Q65-A69 PolarHBondContact O-N 2.96Å; E66-A69 WeakPolarHBondContact O-CB 3.47Å; E66-A69 PolarHBondContact O-N 2.81Å; E66-A69 VanDerWaalsContact O-N 3.11Å; A69-I72 PolarHBondContact O-N 2.84Å; A69-V73 WeakPolarHBondContact O-CG2 3.36Å; A69-V73 PolarHBondContact O-N 3.12Å |
| 70 | Q | 97.9 | Very high | 97.8 | Very high | 111 Ų | 111 | 97.8 Ų | 97.8 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 175.2 | -68.9 | 177.8 | 12.5 | 0 | 0 | 111.3 | E66 I72 V73 H74 | E66-Q70 HydrophobicContact CG-CG 4.43Å; E66-Q70 WeakPolarHBondContact O-CB 3.5Å; E66-Q70 WeakPolarHBondContact O-CG 3.18Å; E66-Q70 PolarHBondContact O-N 3.38Å; E66-Q70 PolarHBondContact OE1-NE2 2.88Å; Q70-I72 PolarHBondContact O-N 2.94Å; Q70-V73 PolarHBondContact O-N 3.46Å; Q70-H74 PolarHBondContact O-N 2.95Å |
| 71 | A | 98.3 | Very high | 97.8 | Very high | 52 Ų | 52 | 98.4 Ų | 98.4 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | C67 L68 H74 K75 | C67-A71 VanDerWaalsContact O-CB 3.28Å; C67-A71 WeakPolarHBondContact O-CB 3.31Å; C67-A71 PolarHBondContact O-N 2.78Å; L68-A71 PolarHBondContact O-N 3.36Å; A71-H74 PolarHBondContact O-N 2.97Å; A71-K75 WeakPolarHBondContact O-CB 3.38Å; A71-K75 VanDerWaalsContact O-CG 3.3Å; A71-K75 WeakPolarHBondContact O-CG 3.22Å; A71-K75 PolarHBondContact O-N 2.97Å |
| 72 | I | 98.1 | Very high | 97.8 | Very high | 111 Ų | 111 | 101.2 Ų | 101.2 | 57% | 0.569 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.1 | -47.1 | 174.1 | -71.1 | 163.3 | 0 | 0 | 0 | 110.5 | L68 A69 Q70 H74 K75 V76 | L68-I72 WeakPolarHBondContact O-CB 3.5Å; L68-I72 WeakPolarHBondContact O-CD1 3.49Å; L68-I72 VanDerWaalsContact O-CG1 3.23Å; L68-I72 WeakPolarHBondContact O-CG1 3.32Å; L68-I72 PolarHBondContact O-N 3.41Å; A69-I72 PolarHBondContact O-N 2.84Å; Q70-I72 PolarHBondContact O-N 2.94Å; I72-H74 PolarHBondContact O-N 3.12Å; I72-K75 PolarHBondContact O-N 2.88Å; I72-V76 WeakPolarHBondContact O-CG2 3.42Å; I72-V76 PolarHBondContact O-N 2.94Å |
| 73 | V | 98.3 | Very high | 97.9 | Very high | 86 Ų | 86 | 101.7 Ų | 101.7 | 52% | 0.521 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 177.1 | 172.9 | 0 | 0 | 0 | 0 | 111 | A69 Q70 K75 V76 L77 | A69-V73 WeakPolarHBondContact O-CG2 3.36Å; A69-V73 PolarHBondContact O-N 3.12Å; Q70-V73 PolarHBondContact O-N 3.46Å; V73-K75 PolarHBondContact O-N 2.96Å; V73-V76 PolarHBondContact O-N 3.06Å; V73-L77 HydrophobicContact CG1-CD1 3.97Å; V73-L77 HydrophobicContact CG1-CG 4.4Å; V73-L77 WeakPolarHBondContact O-CG 3.43Å; V73-L77 PolarHBondContact O-N 3.24Å |
| 74 | H | 98.1 | Very high | 97.9 | Very high | 116 Ų | 116 | 100.2 Ų | 100.2 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 177.7 | -160.7 | -84.4 | 0 | 0 | 0 | 111.8 | Q70 A71 I72 V76 L77 E78 | Q70-H74 PolarHBondContact O-N 2.95Å; A71-H74 PolarHBondContact O-N 2.97Å; I72-H74 PolarHBondContact O-N 3.12Å; H74-V76 VanDerWaalsContact C-N 3.31Å; H74-V76 PolarHBondContact O-N 3.18Å; H74-L77 PolarHBondContact O-N 3.29Å; H74-E78 IonicContact CE1-OE1 3.77Å; H74-E78 PolarHBondContact CE1-OE1 3.49Å; H74-E78 IonicContact CG-OE1 2.79Å; H74-E78 IonicContact ND1-OE1 3.74Å; H74-E78 PolarHBondContact ND1-OE1 2.93Å; H74-E78 WeakPolarHBondContact O-CG 3.36Å; H74-E78 PolarHBondContact O-N 3.4Å |
| 75 | K | 98.4 | Very high | 97.9 | Very high | 111 Ų | 111 | 99 Ų | 99 | 48% | 0.483 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.8 | -26.3 | 177.5 | -70.8 | -74.6 | 169.1 | -124.3 | 0 | 113.6 | A71 I72 V73 E78 R79 | A71-K75 WeakPolarHBondContact O-CB 3.38Å; A71-K75 VanDerWaalsContact O-CG 3.3Å; A71-K75 WeakPolarHBondContact O-CG 3.22Å; A71-K75 PolarHBondContact O-N 2.97Å; I72-K75 PolarHBondContact O-N 2.88Å; V73-K75 PolarHBondContact O-N 2.96Å; K75-E78 WeakPolarHBondContact CD-OE2 3.49Å; K75-E78 IonicContact NZ-OE1 2.87Å; K75-E78 PolarHBondContact NZ-OE1 3.47Å; K75-E78 IonicContact NZ-OE2 3.75Å; K75-E78 PolarHBondContact NZ-OE2 2.81Å; K75-R79 WeakPolarHBondContact O-CB 3.49Å; K75-R79 WeakPolarHBondContact O-CD 3.42Å; K75-R79 WeakPolarHBondContact O-CG 3.41Å; K75-R79 PolarHBondContact O-N 3.39Å |
| 76 | V | 98.4 | Very high | 97.9 | Very high | 87 Ų | 87 | 95.3 Ų | 95.3 | 53% | 0.527 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72.8 | -43.4 | 170.1 | 169.1 | 0 | 0 | 0 | 0 | 111 | I72 V73 H74 R79 E80 | I72-V76 WeakPolarHBondContact O-CG2 3.42Å; I72-V76 PolarHBondContact O-N 2.94Å; V73-V76 PolarHBondContact O-N 3.06Å; H74-V76 VanDerWaalsContact C-N 3.31Å; H74-V76 PolarHBondContact O-N 3.18Å; V76-R79 PolarHBondContact O-N 3.07Å; V76-E80 PolarHBondContact O-N 3.34Å |
| 77 | L | 98 | Very high | 97.9 | Very high | 110 Ų | 110 | 92.7 Ų | 92.7 | 58% | 0.576 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.1 | -42.6 | 177.2 | -68.6 | 172 | 0 | 0 | 0 | 112.2 | V73 H74 R79 E80 H81 | V73-L77 HydrophobicContact CG1-CD1 3.97Å; V73-L77 HydrophobicContact CG1-CG 4.4Å; V73-L77 WeakPolarHBondContact O-CG 3.43Å; V73-L77 PolarHBondContact O-N 3.24Å; H74-L77 PolarHBondContact O-N 3.29Å; L77-R79 PolarHBondContact O-N 2.97Å; L77-E80 PolarHBondContact O-N 3.1Å; L77-H81 WeakPolarHBondContact O-CB 3.45Å; L77-H81 PolarHBondContact O-N 2.89Å |
| 78 | E | 97.8 | Very high | 97.8 | Very high | 57 Ų | 57 | 95.7 Ų | 95.7 | 27% | 0.266 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -54.1 | -51.1 | 170.7 | -76.4 | 169.7 | -134.1 | 0 | 0 | 111.6 | H74 K75 E80 H81 Y82 | H74-E78 IonicContact CE1-OE1 3.77Å; H74-E78 PolarHBondContact CE1-OE1 3.49Å; H74-E78 IonicContact CG-OE1 2.79Å; H74-E78 IonicContact ND1-OE1 3.74Å; H74-E78 PolarHBondContact ND1-OE1 2.93Å; H74-E78 WeakPolarHBondContact O-CG 3.36Å; H74-E78 PolarHBondContact O-N 3.4Å; K75-E78 WeakPolarHBondContact CD-OE2 3.49Å; K75-E78 IonicContact NZ-OE1 2.87Å; K75-E78 PolarHBondContact NZ-OE1 3.47Å; K75-E78 IonicContact NZ-OE2 3.75Å; K75-E78 PolarHBondContact NZ-OE2 2.81Å; E78-E80 PolarHBondContact O-N 2.77Å; E78-H81 PolarHBondContact O-N 3.36Å; E78-Y82 WeakPolarHBondContact O-CD2 3.5Å; E78-Y82 PolarHBondContact O-N 3.07Å |
| 79 | R | 96.8 | Very high | 97.8 | Very high | 193 Ų | 193 | 97.7 Ų | 97.7 | 73% | 0.728 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.1 | -39.1 | -178.1 | -75.7 | 173.4 | 179 | -162.8 | 1.2 | 112.3 | K75 V76 L77 H83 | K75-R79 WeakPolarHBondContact O-CB 3.49Å; K75-R79 WeakPolarHBondContact O-CD 3.42Å; K75-R79 WeakPolarHBondContact O-CG 3.41Å; K75-R79 PolarHBondContact O-N 3.39Å; V76-R79 PolarHBondContact O-N 3.07Å; L77-R79 PolarHBondContact O-N 2.97Å; R79-H83 WeakPolarHBondContact O-CB 3.43Å; R79-H83 PolarHBondContact O-N 3.29Å |
| 80 | E | 97.4 | Very high | 97.8 | Very high | 83 Ų | 83 | 100.9 Ų | 100.9 | 39% | 0.388 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.4 | -40 | 175.2 | 176.7 | 53.2 | -155.1 | 0 | 0 | 111.6 | V76 L77 E78 Y82 H83 Q84 | V76-E80 PolarHBondContact O-N 3.34Å; L77-E80 PolarHBondContact O-N 3.1Å; E78-E80 PolarHBondContact O-N 2.77Å; E80-Y82 PolarHBondContact O-N 2.63Å; E80-H83 WeakPolarHBondContact O-CB 3.49Å; E80-H83 PolarHBondContact O-N 2.58Å; E80-H83 VanDerWaalsContact O-N 3.16Å; E80-H83 IonicContact OE2-CD2 2.59Å; E80-Q84 WeakPolarHBondContact O-CG 3.34Å; E80-Q84 PolarHBondContact O-N 3.17Å; E80-Q84 VanDerWaalsContact OE1-CG 3.3Å; E80-Q84 WeakPolarHBondContact OE1-CG 3.35Å; E80-Q84 PolarHBondContact OE1-NE2 3.34Å |
| 81 | H | 97.9 | Very high | 97.7 | Very high | 109 Ų | 109 | 100.9 Ų | 100.9 | 51% | 0.505 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 173.9 | 179.7 | -124.4 | 0 | 0 | 0 | 111.9 | L77 E78 H83 Q84 I85 | L77-H81 WeakPolarHBondContact O-CB 3.45Å; L77-H81 PolarHBondContact O-N 2.89Å; E78-H81 PolarHBondContact O-N 3.36Å; H81-H83 VanDerWaalsContact C-N 3.34Å; H81-H83 PolarHBondContact O-N 2.82Å; H81-Q84 PolarHBondContact O-N 2.5Å; H81-I85 WeakPolarHBondContact O-CG1 3.22Å; H81-I85 PolarHBondContact O-N 3.43Å |
| 82 | Y | 98 | Very high | 97.6 | Very high | 157 Ų | 157 | 103 Ų | 103 | 62% | 0.616 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62 | -39.6 | 173 | -74.6 | -62.5 | 0 | 0 | 0 | 112.3 | E78 E80 Q84 I85 D86 | E78-Y82 WeakPolarHBondContact O-CD2 3.5Å; E78-Y82 PolarHBondContact O-N 3.07Å; E80-Y82 PolarHBondContact O-N 2.63Å; Y82-Q84 VanDerWaalsContact C-N 3.35Å; Y82-Q84 PolarHBondContact O-N 3.41Å; Y82-I85 PolarHBondContact O-N 3.04Å; Y82-D86 WeakPolarHBondContact O-CB 3.38Å; Y82-D86 PolarHBondContact O-N 3.35Å |
| 83 | H | 97.3 | Very high | 97.6 | Very high | 107 Ų | 107 | 101.7 Ų | 101.7 | 50% | 0.495 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 175.6 | -173.4 | 69.4 | 0 | 0 | 0 | 111.7 | R79 E80 H81 D86 V87 | R79-H83 WeakPolarHBondContact O-CB 3.43Å; R79-H83 PolarHBondContact O-N 3.29Å; E80-H83 WeakPolarHBondContact O-CB 3.49Å; E80-H83 PolarHBondContact O-N 2.58Å; E80-H83 VanDerWaalsContact O-N 3.16Å; E80-H83 IonicContact OE2-CD2 2.59Å; H81-H83 VanDerWaalsContact C-N 3.34Å; H81-H83 PolarHBondContact O-N 2.82Å; H83-D86 PolarHBondContact O-N 3.23Å; H83-V87 WeakPolarHBondContact O-CB 3.25Å; H83-V87 WeakPolarHBondContact O-CG2 3.13Å; H83-V87 PolarHBondContact O-N 3.07Å |
| 84 | Q | 96.9 | Very high | 97.5 | Very high | 82 Ų | 82 | 104 Ų | 104 | 38% | 0.383 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 177.2 | -69.4 | 178.5 | 23.9 | 0 | 0 | 112.9 | E80 H81 Y82 D86 V87 K88 | E80-Q84 WeakPolarHBondContact O-CG 3.34Å; E80-Q84 PolarHBondContact O-N 3.17Å; E80-Q84 VanDerWaalsContact OE1-CG 3.3Å; E80-Q84 WeakPolarHBondContact OE1-CG 3.35Å; E80-Q84 PolarHBondContact OE1-NE2 3.34Å; H81-Q84 PolarHBondContact O-N 2.5Å; Y82-Q84 VanDerWaalsContact C-N 3.35Å; Y82-Q84 PolarHBondContact O-N 3.41Å; Q84-D86 VanDerWaalsContact C-N 3.3Å; Q84-D86 PolarHBondContact O-N 2.83Å; Q84-V87 PolarHBondContact O-N 2.79Å; Q84-K88 WeakPolarHBondContact O-CB 3.41Å; Q84-K88 WeakPolarHBondContact O-CD 3.23Å; Q84-K88 VanDerWaalsContact O-CG 3.23Å; Q84-K88 WeakPolarHBondContact O-CG 3.17Å; Q84-K88 PolarHBondContact O-N 3.45Å |
| 85 | I | 97.9 | Very high | 97.4 | Very high | 62 Ų | 62 | 103.8 Ų | 103.8 | 32% | 0.318 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.1 | -45.3 | 172.4 | -70.2 | 167.9 | 0 | 0 | 0 | 110.1 | H81 Y82 K88 R89 | H81-I85 WeakPolarHBondContact O-CG1 3.22Å; H81-I85 PolarHBondContact O-N 3.43Å; Y82-I85 PolarHBondContact O-N 3.04Å; I85-K88 PolarHBondContact O-N 2.89Å; I85-R89 WeakPolarHBondContact O-CB 3.24Å; I85-R89 PolarHBondContact O-N 2.89Å |
| 86 | D | 97.6 | Very high | 97.4 | Very high | 49 Ų | 49 | 105.8 Ų | 105.8 | 26% | 0.262 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.7 | -32.4 | -175.8 | -144.9 | 46.3 | 0 | 0 | 0 | 112.2 | Y82 H83 Q84 R89 K90 | Y82-D86 WeakPolarHBondContact O-CB 3.38Å; Y82-D86 PolarHBondContact O-N 3.35Å; H83-D86 PolarHBondContact O-N 3.23Å; Q84-D86 VanDerWaalsContact C-N 3.3Å; Q84-D86 PolarHBondContact O-N 2.83Å; D86-R89 IonicContact OD1-CZ 3.74Å; D86-R89 IonicContact OD1-NE 3.4Å; D86-R89 IonicContact OD1-NH1 2.73Å; D86-R89 PolarHBondContact OD1-NH1 3.4Å; D86-K90 WeakPolarHBondContact O-CB 3.46Å; D86-K90 VanDerWaalsContact O-CD 3.28Å; D86-K90 WeakPolarHBondContact O-CD 3.23Å; D86-K90 WeakPolarHBondContact O-CG 3.35Å; D86-K90 PolarHBondContact O-N 3.29Å; D86-K90 VanDerWaalsContact OD2-CE 3.3Å; D86-K90 WeakPolarHBondContact OD2-CE 3.45Å; D86-K90 IonicContact OD2-NZ 2.62Å; D86-K90 PolarHBondContact OD2-NZ 2.9Å |
| 87 | V | 97.4 | Very high | 97.3 | Very high | 52 Ų | 52 | 107.6 Ų | 107.6 | 32% | 0.315 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.9 | -46.6 | 168.6 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | H83 Q84 R89 K90 Q91 | H83-V87 WeakPolarHBondContact O-CB 3.25Å; H83-V87 WeakPolarHBondContact O-CG2 3.13Å; H83-V87 PolarHBondContact O-N 3.07Å; Q84-V87 PolarHBondContact O-N 2.79Å; V87-R89 VanDerWaalsContact C-N 3.35Å; V87-R89 PolarHBondContact O-N 3.29Å; V87-K90 PolarHBondContact O-N 3.38Å; V87-Q91 WeakPolarHBondContact O-CG 3.19Å; V87-Q91 PolarHBondContact O-N 2.95Å |
| 88 | K | 97.5 | Very high | 97.1 | Very high | 121 Ų | 121 | 105.8 Ų | 105.8 | 53% | 0.526 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 175.1 | -72.1 | 164.7 | -175.9 | 170.7 | 0 | 111.2 | Q84 I85 K90 Q91 V92 | Q84-K88 WeakPolarHBondContact O-CB 3.41Å; Q84-K88 WeakPolarHBondContact O-CD 3.23Å; Q84-K88 VanDerWaalsContact O-CG 3.23Å; Q84-K88 WeakPolarHBondContact O-CG 3.17Å; Q84-K88 PolarHBondContact O-N 3.45Å; I85-K88 PolarHBondContact O-N 2.89Å; K88-K90 PolarHBondContact O-N 3.45Å; K88-Q91 WeakPolarHBondContact O-CB 3.39Å; K88-Q91 PolarHBondContact O-N 3.26Å; K88-V92 WeakPolarHBondContact O-CG2 3.2Å; K88-V92 PolarHBondContact O-N 2.98Å |
| 89 | R | 97.9 | Very high | 96.9 | Very high | 145 Ų | 145 | 110.5 Ų | 110.5 | 55% | 0.547 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.9 | -48.3 | 174.3 | -176 | -173.4 | -67.9 | 162 | -10.6 | 111.6 | I85 D86 V87 Q91 V92 E93 | I85-R89 WeakPolarHBondContact O-CB 3.24Å; I85-R89 PolarHBondContact O-N 2.89Å; D86-R89 IonicContact OD1-CZ 3.74Å; D86-R89 IonicContact OD1-NE 3.4Å; D86-R89 IonicContact OD1-NH1 2.73Å; D86-R89 PolarHBondContact OD1-NH1 3.4Å; V87-R89 VanDerWaalsContact C-N 3.35Å; V87-R89 PolarHBondContact O-N 3.29Å; R89-Q91 VanDerWaalsContact C-N 3.34Å; R89-Q91 PolarHBondContact O-N 3.16Å; R89-V92 PolarHBondContact O-N 3.46Å; R89-E93 PolarHBondContact O-N 3.06Å |
| 90 | K | 97.6 | Very high | 96.9 | Very high | 117 Ų | 117 | 104.9 Ų | 104.9 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.5 | -32.9 | 178.5 | -72.9 | 160.2 | -176 | 160.5 | 0 | 112.9 | D86 V87 K88 F94 | D86-K90 WeakPolarHBondContact O-CB 3.46Å; D86-K90 VanDerWaalsContact O-CD 3.28Å; D86-K90 WeakPolarHBondContact O-CD 3.23Å; D86-K90 WeakPolarHBondContact O-CG 3.35Å; D86-K90 PolarHBondContact O-N 3.29Å; D86-K90 VanDerWaalsContact OD2-CE 3.3Å; D86-K90 WeakPolarHBondContact OD2-CE 3.45Å; D86-K90 IonicContact OD2-NZ 2.62Å; D86-K90 PolarHBondContact OD2-NZ 2.9Å; V87-K90 PolarHBondContact O-N 3.38Å; K88-K90 PolarHBondContact O-N 3.45Å; K90-F94 WeakPolarHBondContact O-CB 3.39Å; K90-F94 PolarHBondContact O-N 3.08Å |
| 91 | Q | 96.1 | Very high | 96.7 | Very high | 112 Ų | 112 | 106.9 Ų | 106.9 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.3 | -51 | 172.1 | -72.3 | 170.9 | 2.1 | 0 | 0 | 111.6 | V87 K88 R89 E93 F94 E95 | V87-Q91 WeakPolarHBondContact O-CG 3.19Å; V87-Q91 PolarHBondContact O-N 2.95Å; K88-Q91 WeakPolarHBondContact O-CB 3.39Å; K88-Q91 PolarHBondContact O-N 3.26Å; R89-Q91 VanDerWaalsContact C-N 3.34Å; R89-Q91 PolarHBondContact O-N 3.16Å; Q91-E93 VanDerWaalsContact C-N 3.29Å; Q91-E93 PolarHBondContact O-N 3.35Å; Q91-F94 WeakPolarHBondContact O-CB 3.45Å; Q91-F94 PolarHBondContact O-N 2.89Å; Q91-E95 PolarHBondContact O-N 3.49Å |
| 92 | V | 97.2 | Very high | 96.5 | Very high | 97 Ų | 97 | 108.8 Ų | 108.8 | 59% | 0.588 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.1 | -39.4 | 177.4 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | K88 R89 K96 | K88-V92 WeakPolarHBondContact O-CG2 3.2Å; K88-V92 PolarHBondContact O-N 2.98Å; R89-V92 PolarHBondContact O-N 3.46Å; V92-K96 WeakPolarHBondContact O-CB 3.49Å; V92-K96 PolarHBondContact O-N 2.79Å |
| 93 | E | 97 | Very high | 96.4 | Very high | 82 Ų | 82 | 107.5 Ų | 107.5 | 38% | 0.383 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 170.7 | -85.4 | -168.2 | -132.4 | 0 | 0 | 113.1 | R89 Q91 K96 K97 | R89-E93 PolarHBondContact O-N 3.06Å; Q91-E93 VanDerWaalsContact C-N 3.29Å; Q91-E93 PolarHBondContact O-N 3.35Å; E93-K96 PolarHBondContact O-N 3.21Å; E93-K97 WeakPolarHBondContact O-CB 3.24Å; E93-K97 WeakPolarHBondContact O-CD 3.34Å; E93-K97 VanDerWaalsContact O-CG 3.22Å; E93-K97 WeakPolarHBondContact O-CG 3.29Å; E93-K97 PolarHBondContact O-N 3.22Å; E93-K97 IonicContact OE2-NZ 3.22Å; E93-K97 PolarHBondContact OE2-NZ 2.84Å |
| 94 | F | 96.2 | Very high | 96.2 | Very high | 136 Ų | 136 | 109.1 Ų | 109.1 | 60% | 0.596 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.1 | -41.7 | 179.5 | -174.3 | -94.7 | 0 | 0 | 0 | 111.4 | K90 Q91 K97 Q98 | K90-F94 WeakPolarHBondContact O-CB 3.39Å; K90-F94 PolarHBondContact O-N 3.08Å; Q91-F94 WeakPolarHBondContact O-CB 3.45Å; Q91-F94 PolarHBondContact O-N 2.89Å; F94-K97 PolarHBondContact O-N 2.86Å; F94-Q98 WeakPolarHBondContact O-CB 3.35Å; F94-Q98 PolarHBondContact O-N 2.83Å |
| 95 | E | 96.6 | Very high | 96.1 | Very high | 111 Ų | 111 | 108.8 Ų | 108.8 | 52% | 0.519 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 172.8 | -70.7 | -175.1 | -175.2 | 0 | 0 | 112.3 | Q91 Q98 R99 | Q91-E95 PolarHBondContact O-N 3.49Å; E95-Q98 PolarHBondContact O-N 3.19Å; E95-R99 VanDerWaalsContact O-CB 3.27Å; E95-R99 WeakPolarHBondContact O-CB 3.27Å; E95-R99 PolarHBondContact O-N 3.47Å |
| 96 | K | 97.3 | Very high | 95.8 | Very high | 153 Ų | 153 | 110 Ų | 110 | 67% | 0.665 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.4 | -44.8 | 175 | -173.7 | 176.3 | -179.4 | 178.6 | 0 | 111.2 | V92 E93 R99 V100 | V92-K96 WeakPolarHBondContact O-CB 3.49Å; V92-K96 PolarHBondContact O-N 2.79Å; E93-K96 PolarHBondContact O-N 3.21Å; K96-R99 PolarHBondContact O-N 3Å; K96-V100 WeakPolarHBondContact O-CG2 3.45Å; K96-V100 PolarHBondContact O-N 2.83Å |
| 97 | K | 96.1 | Very high | 95.4 | Very high | 125 Ų | 125 | 115.3 Ų | 115.3 | 54% | 0.543 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 175.6 | -73.9 | 159.9 | 177.3 | 163.8 | 0 | 111.3 | E93 F94 V100 Q101 | E93-K97 WeakPolarHBondContact O-CB 3.24Å; E93-K97 WeakPolarHBondContact O-CD 3.34Å; E93-K97 VanDerWaalsContact O-CG 3.22Å; E93-K97 WeakPolarHBondContact O-CG 3.29Å; E93-K97 PolarHBondContact O-N 3.22Å; E93-K97 IonicContact OE2-NZ 3.22Å; E93-K97 PolarHBondContact OE2-NZ 2.84Å; F94-K97 PolarHBondContact O-N 2.86Å; K97-V100 PolarHBondContact O-N 2.92Å; K97-Q101 PolarHBondContact O-N 3.04Å |
| 98 | Q | 95.4 | Very high | 94.9 | Very high | 72 Ų | 72 | 116.8 Ų | 116.8 | 34% | 0.336 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 177.8 | -162.8 | -165.2 | 67.3 | 0 | 0 | 111.8 | F94 E95 Q101 R102 | F94-Q98 WeakPolarHBondContact O-CB 3.35Å; F94-Q98 PolarHBondContact O-N 2.83Å; E95-Q98 PolarHBondContact O-N 3.19Å; Q98-Q101 WeakPolarHBondContact O-CB 3.42Å; Q98-Q101 PolarHBondContact O-N 2.84Å; Q98-R102 WeakPolarHBondContact O-CG 3.21Å; Q98-R102 PolarHBondContact O-N 3.31Å |
| 99 | R | 93.7 | Very high | 94.6 | Very high | 155 Ų | 155 | 116.6 Ų | 116.6 | 59% | 0.585 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.4 | -44.3 | 175.2 | -169.6 | -178.3 | -59.5 | 177.2 | 3.7 | 111.5 | E95 K96 Q101 R102 F103 | E95-R99 VanDerWaalsContact O-CB 3.27Å; E95-R99 WeakPolarHBondContact O-CB 3.27Å; E95-R99 PolarHBondContact O-N 3.47Å; K96-R99 PolarHBondContact O-N 3Å; R99-Q101 VanDerWaalsContact C-N 3.34Å; R99-Q101 PolarHBondContact O-N 2.88Å; R99-R102 PolarHBondContact O-N 2.86Å; R99-F103 HydrophobicContact CG-CD2 4.07Å; R99-F103 HydrophobicContact CG-CE2 3.79Å; R99-F103 VanDerWaalsContact O-CD2 3.29Å; R99-F103 WeakPolarHBondContact O-CD2 3.3Å; R99-F103 PolarHBondContact O-N 2.97Å |
| 100 | V | 96.1 | Very high | 94.2 | Very high | 75 Ų | 75 | 115.4 Ų | 115.4 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 173.4 | 170 | 0 | 0 | 0 | 0 | 111.5 | K96 K97 K104 | K96-V100 WeakPolarHBondContact O-CG2 3.45Å; K96-V100 PolarHBondContact O-N 2.83Å; K97-V100 PolarHBondContact O-N 2.92Å; V100-K104 HydrophobicContact CG1-CD 4.31Å; V100-K104 WeakPolarHBondContact O-CB 3.38Å; V100-K104 WeakPolarHBondContact O-CG 3.14Å; V100-K104 PolarHBondContact O-N 3.15Å |
| 101 | Q | 94.1 | Very high | 93.6 | Very high | 126 Ų | 126 | 115.7 Ų | 115.7 | 59% | 0.589 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.3 | -44.8 | 176 | -169.4 | 180 | 10.7 | 0 | 0 | 112.1 | K97 Q98 R99 K104 V105 | K97-Q101 PolarHBondContact O-N 3.04Å; Q98-Q101 WeakPolarHBondContact O-CB 3.42Å; Q98-Q101 PolarHBondContact O-N 2.84Å; R99-Q101 VanDerWaalsContact C-N 3.34Å; R99-Q101 PolarHBondContact O-N 2.88Å; Q101-K104 PolarHBondContact O-N 3.36Å; Q101-V105 WeakPolarHBondContact O-CG2 3.46Å; Q101-V105 PolarHBondContact O-N 2.84Å |
| 102 | R | 93.7 | Very high | 93.1 | Very high | 149 Ų | 149 | 115.7 Ų | 115.7 | 56% | 0.562 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.6 | -51.6 | 174.3 | -67.3 | -178.2 | -161 | -160.5 | 8 | 111.1 | Q98 R99 K104 V105 E106 | Q98-R102 WeakPolarHBondContact O-CG 3.21Å; Q98-R102 PolarHBondContact O-N 3.31Å; R99-R102 PolarHBondContact O-N 2.86Å; R102-K104 VanDerWaalsContact C-N 3.31Å; R102-K104 PolarHBondContact O-N 2.94Å; R102-V105 PolarHBondContact O-N 3.12Å; R102-V105 VanDerWaalsContact O-N 3.13Å; R102-E106 WeakPolarHBondContact O-CG 3.48Å; R102-E106 PolarHBondContact O-N 2.78Å |
| 103 | F | 94.1 | Very high | 92.5 | Very high | 130 Ų | 130 | 115.4 Ų | 115.4 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.6 | -35.1 | 177.2 | -77.9 | -52.7 | 0 | 0 | 0 | 113.7 | R99 R107 | R99-F103 HydrophobicContact CG-CD2 4.07Å; R99-F103 HydrophobicContact CG-CE2 3.79Å; R99-F103 VanDerWaalsContact O-CD2 3.29Å; R99-F103 WeakPolarHBondContact O-CD2 3.3Å; R99-F103 PolarHBondContact O-N 2.97Å; F103-R107 VanDerWaalsContact O-CB 3.31Å; F103-R107 WeakPolarHBondContact O-CB 3.48Å; F103-R107 PolarHBondContact O-N 2.84Å |
| 104 | K | 94.9 | Very high | 91.9 | Very high | 141 Ų | 141 | 116.6 Ų | 116.6 | 61% | 0.613 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.6 | -46.3 | 173.2 | -78.8 | -179.1 | 176.5 | -172.8 | 0 | 111.7 | V100 Q101 R102 R107 C108 | V100-K104 HydrophobicContact CG1-CD 4.31Å; V100-K104 WeakPolarHBondContact O-CB 3.38Å; V100-K104 WeakPolarHBondContact O-CG 3.14Å; V100-K104 PolarHBondContact O-N 3.15Å; Q101-K104 PolarHBondContact O-N 3.36Å; R102-K104 VanDerWaalsContact C-N 3.31Å; R102-K104 PolarHBondContact O-N 2.94Å; K104-R107 PolarHBondContact O-N 3.03Å; K104-C108 PolarHBondContact O-N 3.23Å; K104-C108 PolarHBondContact O-SG 3.22Å |
| 105 | V | 93.6 | Very high | 91.2 | Very high | 74 Ų | 74 | 115.3 Ų | 115.3 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 178.2 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | Q101 R102 R107 C108 K109 | Q101-V105 WeakPolarHBondContact O-CG2 3.46Å; Q101-V105 PolarHBondContact O-N 2.84Å; R102-V105 PolarHBondContact O-N 3.12Å; R102-V105 VanDerWaalsContact O-N 3.13Å; V105-R107 VanDerWaalsContact C-N 3.31Å; V105-R107 PolarHBondContact O-N 2.81Å; V105-C108 PolarHBondContact O-N 3.34Å; V105-K109 HydrophobicContact CG1-CD 4.36Å; V105-K109 HydrophobicContact CG1-CG 4.46Å; V105-K109 WeakPolarHBondContact O-CG 3.49Å; V105-K109 PolarHBondContact O-N 3.46Å |
| 106 | E | 91.1 | Very high | 90.5 | Very high | 89 Ų | 89 | 114.3 Ų | 114.3 | 42% | 0.416 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.7 | -39.1 | 174.9 | -73.6 | 171 | -147.8 | 0 | 0 | 112.4 | R102 K110 | R102-E106 WeakPolarHBondContact O-CG 3.48Å; R102-E106 PolarHBondContact O-N 2.78Å; E106-K110 WeakPolarHBondContact O-CG 3.29Å; E106-K110 PolarHBondContact O-N 3.31Å |
| 107 | R | 90.2 | Very high | 89.7 | Confident | 159 Ų | 159 | 114.3 Ų | 114.3 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.1 | -40.5 | 175.7 | -171.1 | 177.8 | -176.1 | 106.6 | 7.1 | 112 | F103 K104 V105 K110 Y111 | F103-R107 VanDerWaalsContact O-CB 3.31Å; F103-R107 WeakPolarHBondContact O-CB 3.48Å; F103-R107 PolarHBondContact O-N 2.84Å; K104-R107 PolarHBondContact O-N 3.03Å; V105-R107 VanDerWaalsContact C-N 3.31Å; V105-R107 PolarHBondContact O-N 2.81Å; R107-K110 PolarHBondContact O-N 2.8Å; R107-Y111 HydrophobicContact CG-CD2 4.14Å; R107-Y111 HydrophobicContact CG-CE2 3.81Å; R107-Y111 PolarHBondContact NH2-OH 3.37Å; R107-Y111 VanDerWaalsContact O-CD2 3.26Å; R107-Y111 WeakPolarHBondContact O-CD2 3.23Å; R107-Y111 PolarHBondContact O-N 3.48Å |
| 108 | C | 87.6 | Confident | 88.9 | Confident | 83 Ų | 83 | 112.5 Ų | 112.5 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.1 | -47.1 | 175.3 | -63.2 | 0 | 0 | 0 | 0 | 111.1 | K104 V105 K110 Y111 E112 | K104-C108 PolarHBondContact O-N 3.23Å; K104-C108 PolarHBondContact O-SG 3.22Å; V105-C108 PolarHBondContact O-N 3.34Å; C108-K110 VanDerWaalsContact C-N 3.33Å; C108-K110 PolarHBondContact O-N 3.41Å; C108-Y111 PolarHBondContact O-N 2.97Å; C108-E112 WeakPolarHBondContact O-CB 3.11Å; C108-E112 PolarHBondContact O-N 3.44Å |
| 109 | K | 90.7 | Very high | 88 | Confident | 117 Ų | 117 | 115.2 Ų | 115.2 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -57.8 | -41.8 | 175.6 | -74.3 | -173.4 | 173.8 | -166 | 0 | 112.6 | V105 Y111 E112 E113 | V105-K109 HydrophobicContact CG1-CD 4.36Å; V105-K109 HydrophobicContact CG1-CG 4.46Å; V105-K109 WeakPolarHBondContact O-CG 3.49Å; V105-K109 PolarHBondContact O-N 3.46Å; K109-Y111 PolarHBondContact O-N 3.18Å; K109-E112 WeakPolarHBondContact O-CB 3.46Å; K109-E112 PolarHBondContact O-N 2.93Å; K109-E113 WeakPolarHBondContact O-CB 3.38Å; K109-E113 VanDerWaalsContact O-CG 3.28Å; K109-E113 WeakPolarHBondContact O-CG 3.32Å; K109-E113 PolarHBondContact O-N 3.47Å |
| 110 | K | 88.9 | Confident | 87.1 | Confident | 120 Ų | 120 | 111.4 Ų | 111.4 | 52% | 0.522 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 176 | -76.9 | 174.3 | -179.5 | 174.5 | 0 | 112.5 | E106 R107 C108 E112 E113 E114 | E106-K110 WeakPolarHBondContact O-CG 3.29Å; E106-K110 PolarHBondContact O-N 3.31Å; R107-K110 PolarHBondContact O-N 2.8Å; C108-K110 VanDerWaalsContact C-N 3.33Å; C108-K110 PolarHBondContact O-N 3.41Å; K110-E112 VanDerWaalsContact C-N 3.34Å; K110-E112 PolarHBondContact O-N 3.27Å; K110-E113 PolarHBondContact O-N 3.19Å; K110-E114 VanDerWaalsContact O-CB 3.29Å; K110-E114 WeakPolarHBondContact O-CB 3.1Å; K110-E114 VanDerWaalsContact O-CG 3.24Å; K110-E114 WeakPolarHBondContact O-CG 3.04Å; K110-E114 PolarHBondContact O-N 2.93Å |
| 111 | Y | 84.4 | Confident | 85.6 | Confident | 124 Ų | 124 | 113.6 Ų | 113.6 | 49% | 0.486 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.9 | -37.1 | 173.8 | -75.3 | -54 | 0 | 0 | 0 | 113 | R107 C108 K109 E114 M115 | R107-Y111 HydrophobicContact CG-CD2 4.14Å; R107-Y111 HydrophobicContact CG-CE2 3.81Å; R107-Y111 PolarHBondContact NH2-OH 3.37Å; R107-Y111 VanDerWaalsContact O-CD2 3.26Å; R107-Y111 WeakPolarHBondContact O-CD2 3.23Å; R107-Y111 PolarHBondContact O-N 3.48Å; C108-Y111 PolarHBondContact O-N 2.97Å; K109-Y111 PolarHBondContact O-N 3.18Å; Y111-E114 PolarHBondContact O-N 2.93Å; Y111-M115 VanDerWaalsContact O-CB 3.28Å; Y111-M115 WeakPolarHBondContact O-CB 2.98Å; Y111-M115 PolarHBondContact O-N 3.4Å |
| 112 | E | 86.4 | Confident | 84 | Confident | 111 Ų | 111 | 112.6 Ų | 112.6 | 52% | 0.519 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.8 | -46.2 | 175.2 | -172.2 | 174.4 | -161.9 | 0 | 0 | 111.4 | C108 K109 K110 E114 M115 I116 | C108-E112 WeakPolarHBondContact O-CB 3.11Å; C108-E112 PolarHBondContact O-N 3.44Å; K109-E112 WeakPolarHBondContact O-CB 3.46Å; K109-E112 PolarHBondContact O-N 2.93Å; K110-E112 VanDerWaalsContact C-N 3.34Å; K110-E112 PolarHBondContact O-N 3.27Å; E112-E114 VanDerWaalsContact C-N 3.35Å; E112-E114 PolarHBondContact O-N 2.95Å; E112-M115 PolarHBondContact O-N 3.49Å; E112-I116 HydrophobicContact CG-CD1 4.07Å; E112-I116 WeakPolarHBondContact O-CB 3.38Å; E112-I116 WeakPolarHBondContact O-CD1 3.36Å; E112-I116 WeakPolarHBondContact O-CG1 3.35Å; E112-I116 PolarHBondContact O-N 3.33Å |
| 113 | E | 84.1 | Confident | 82.2 | Confident | 91 Ų | 91 | 110.4 Ų | 110.4 | 43% | 0.425 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.7 | -31.8 | 174.1 | -69.2 | 170.5 | -153.4 | 0 | 0 | 113.5 | K109 K110 R117 | K109-E113 WeakPolarHBondContact O-CB 3.38Å; K109-E113 VanDerWaalsContact O-CG 3.28Å; K109-E113 WeakPolarHBondContact O-CG 3.32Å; K109-E113 PolarHBondContact O-N 3.47Å; K110-E113 PolarHBondContact O-N 3.19Å; E113-R117 VanDerWaalsContact O-CB 3.29Å; E113-R117 WeakPolarHBondContact O-CB 3.41Å; E113-R117 VanDerWaalsContact O-CG 3.31Å; E113-R117 WeakPolarHBondContact O-CG 3.2Å; E113-R117 PolarHBondContact O-N 2.87Å; E113-R117 PolarHBondContact O-NE 3.28Å; E113-R117 IonicContact OE2-NH2 2.96Å; E113-R117 PolarHBondContact OE2-NH2 2.96Å |
| 114 | E | 84.4 | Confident | 80 | Confident | 108 Ų | 108 | 109.7 Ų | 109.7 | 51% | 0.505 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -72.4 | -41.6 | 173.7 | -78.7 | 170.7 | -170.8 | 0 | 0 | 110.9 | K110 Y111 E112 R117 A118 | K110-E114 VanDerWaalsContact O-CB 3.29Å; K110-E114 WeakPolarHBondContact O-CB 3.1Å; K110-E114 VanDerWaalsContact O-CG 3.24Å; K110-E114 WeakPolarHBondContact O-CG 3.04Å; K110-E114 PolarHBondContact O-N 2.93Å; Y111-E114 PolarHBondContact O-N 2.93Å; E112-E114 VanDerWaalsContact C-N 3.35Å; E112-E114 PolarHBondContact O-N 2.95Å; E114-R117 PolarHBondContact O-N 3.38Å; E114-A118 WeakPolarHBondContact O-CB 3.41Å; E114-A118 PolarHBondContact O-N 2.73Å |
| 115 | M | 82.1 | Confident | 77.8 | Confident | 109 Ų | 109 | 109.7 Ų | 109.7 | 54% | 0.537 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64 | -45.3 | 173 | -175.4 | 179.4 | 70.9 | 0 | 0 | 111.4 | Y111 E112 R117 A118 L119 | Y111-M115 VanDerWaalsContact O-CB 3.28Å; Y111-M115 WeakPolarHBondContact O-CB 2.98Å; Y111-M115 PolarHBondContact O-N 3.4Å; E112-M115 PolarHBondContact O-N 3.49Å; M115-R117 VanDerWaalsContact C-N 3.34Å; M115-R117 PolarHBondContact O-N 3.25Å; M115-A118 PolarHBondContact O-N 2.73Å; M115-L119 HydrophobicContact CG-CD1 3.87Å; M115-L119 HydrophobicContact CG-CG 4.47Å; M115-L119 WeakPolarHBondContact O-CB 3.49Å; M115-L119 VanDerWaalsContact O-CG 3.3Å; M115-L119 WeakPolarHBondContact O-CG 3.41Å; M115-L119 PolarHBondContact O-N 2.92Å |
| 116 | I | 82.6 | Confident | 75.2 | Confident | 90 Ų | 90 | 111.1 Ų | 111.1 | 46% | 0.462 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -59.6 | -44.8 | 173.8 | -70.4 | 163.7 | 0 | 0 | 0 | 110 | E112 A118 L119 T120 | E112-I116 HydrophobicContact CG-CD1 4.07Å; E112-I116 WeakPolarHBondContact O-CB 3.38Å; E112-I116 WeakPolarHBondContact O-CD1 3.36Å; E112-I116 WeakPolarHBondContact O-CG1 3.35Å; E112-I116 PolarHBondContact O-N 3.33Å; I116-A118 VanDerWaalsContact C-N 3.32Å; I116-A118 PolarHBondContact O-N 2.66Å; I116-L119 PolarHBondContact O-N 2.88Å; I116-T120 WeakPolarHBondContact O-CB 3.35Å; I116-T120 PolarHBondContact O-N 3.33Å; I116-T120 PolarHBondContact O-OG1 2.78Å |
| 117 | R | 80.4 | Confident | 73.2 | Confident | 153 Ų | 153 | 112.4 Ų | 112.4 | 58% | 0.577 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.1 | -32.6 | 175.5 | -84 | 176.8 | -85.9 | -163.7 | -12.1 | 113.7 | E113 E114 M115 | E113-R117 VanDerWaalsContact O-CB 3.29Å; E113-R117 WeakPolarHBondContact O-CB 3.41Å; E113-R117 VanDerWaalsContact O-CG 3.31Å; E113-R117 WeakPolarHBondContact O-CG 3.2Å; E113-R117 PolarHBondContact O-N 2.87Å; E113-R117 PolarHBondContact O-NE 3.28Å; E113-R117 IonicContact OE2-NH2 2.96Å; E113-R117 PolarHBondContact OE2-NH2 2.96Å; E114-R117 PolarHBondContact O-N 3.38Å; M115-R117 VanDerWaalsContact C-N 3.34Å; M115-R117 PolarHBondContact O-N 3.25Å |
| 118 | A | 77.9 | Confident | 70.9 | Confident | 87 Ų | 87 | 115.2 Ų | 115.2 | 72% | 0.719 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -75.9 | -27.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E114 M115 I116 | E114-A118 WeakPolarHBondContact O-CB 3.41Å; E114-A118 PolarHBondContact O-N 2.73Å; M115-A118 PolarHBondContact O-N 2.73Å; I116-A118 VanDerWaalsContact C-N 3.32Å; I116-A118 PolarHBondContact O-N 2.66Å |
| 119 | L | 76.3 | Confident | 68.4 | Low | 129 Ų | 129 | 115.8 Ų | 115.8 | 68% | 0.675 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -94.7 | -16.7 | 178.8 | -65.2 | 174.6 | 0 | 0 | 0 | 113.6 | M115 I116 P121 | M115-L119 HydrophobicContact CG-CD1 3.87Å; M115-L119 HydrophobicContact CG-CG 4.47Å; M115-L119 WeakPolarHBondContact O-CB 3.49Å; M115-L119 VanDerWaalsContact O-CG 3.3Å; M115-L119 WeakPolarHBondContact O-CG 3.41Å; M115-L119 PolarHBondContact O-N 2.92Å; I116-L119 PolarHBondContact O-N 2.88Å; L119-P121 WeakPolarHBondContact O-CD 3.1Å |
| 120 | T | 76.1 | Confident | 66.3 | Low | 75 Ų | 75 | 117.4 Ų | 117.4 | 46% | 0.46 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -72 | 121.8 | 176.2 | -61.5 | 0 | 0 | 0 | 0 | 109.8 | I116 C122 | I116-T120 WeakPolarHBondContact O-CB 3.35Å; I116-T120 PolarHBondContact O-N 3.33Å; I116-T120 PolarHBondContact O-OG1 2.78Å; T120-C122 PolarHBondContact O-N 3.18Å |
| 121 | P | 65.3 | Low | 63.8 | Low | 120 Ų | 120 | 121.9 Ų | 121.9 | 78% | 0.779 | 65% | 0.65 | S | S | * | * | trans | -69.7 | 98.1 | 176.5 | -17.8 | 32.4 | 0 | 0 | 0 | 110.7 | L119 P123 | L119-P121 WeakPolarHBondContact O-CD 3.1Å; P121-P123 WeakPolarHBondContact O-CD 3.41Å | ||
| 122 | C | 59 | Low | 61.6 | Low | 106 Ų | 106 | 122.5 Ų | 122.5 | 72% | 0.716 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 121.8 | 168.3 | -71.1 | 0 | 0 | 0 | 0 | 109.1 | T120 | T120-C122 PolarHBondContact O-N 3.18Š|
| 123 | P | 55.6 | Low | 59.7 | Low | 102 Ų | 102 | 125 Ų | 125 | 66% | 0.662 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 145.6 | 165.9 | 27.9 | -33.7 | 0 | 0 | 0 | 108.5 | P121 T125 | P121-P123 WeakPolarHBondContact O-CD 3.41Å; P123-T125 PolarHBondContact O-N 3.25Å; P123-T125 VanDerWaalsContact O-N 3.08Å |
| 124 | P | 49.3 | Very low | 57.6 | Low | 116 Ų | 116 | 128.6 Ų | 128.6 | 75% | 0.753 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 121.1 | 178.5 | 25 | -33.5 | 0 | 0 | 0 | 108.8 | T126 | P124-T126 PolarHBondContact O-N 3.24Š|
| 125 | T | 47.1 | Very low | 55.7 | Low | 140 Ų | 140 | 129.2 Ų | 129.2 | 86% | 0.859 | 71% | 0.707 | S | S | * | * | trans | -69.8 | 82.1 | 179.2 | -48.5 | 0 | 0 | 0 | 0 | 109.6 | P123 S127 | P123-T125 PolarHBondContact O-N 3.25Å; P123-T125 VanDerWaalsContact O-N 3.08Å; T125-S127 PolarHBondContact O-N 3.1Å | ||
| 126 | T | 40.6 | Very low | 53.5 | Low | 104 Ų | 104 | 127.4 Ų | 127.4 | 64% | 0.638 | 72% | 0.717 | S | S | * | * | trans | -53.7 | 126.7 | 167.8 | 53.4 | 0 | 0 | 0 | 0 | 108.1 | P124 R128 | P124-T126 PolarHBondContact O-N 3.24Å; T126-R128 PolarHBondContact O-N 2.64Å | ||
| 127 | S | 49.3 | Very low | 52.1 | Low | 116 Ų | 116 | 129.2 Ų | 129.2 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | trans | -58.2 | 103.3 | -178.8 | 52.3 | 0 | 0 | 0 | 0 | 111.1 | T125 | T125-S127 PolarHBondContact O-N 3.1Š| ||
| 128 | R | 40.9 | Very low | 49.7 | Very low | 218 Ų | 218 | 130.6 Ų | 130.6 | 82% | 0.823 | 75% | 0.752 | S | S | * | * | trans | -99.4 | 109.4 | 155.6 | -67.5 | -170.2 | 178.4 | -160.3 | -1.2 | 106.5 | T126 | T126-R128 PolarHBondContact O-N 2.64Š| ||
| 129 | S | 35 | Very low | 47.4 | Very low | 95 Ų | 95 | 129.4 Ų | 129.4 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | 57.9 | 111.1 | 63.7 | 84.8 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 130 | I | 47.5 | Very low | 45.4 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -67.3 | 156.9 | 171 | -50.5 | 167.9 | 0 | 0 | 0 | 107.7 | ||
| 131 | W | 34.7 | Very low | 43.3 | Very low | 213 Ų | 213 | 136.7 Ų | 136.7 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | trans | 91.3 | 156.4 | 176 | -59.3 | 89 | 0 | 0 | 0 | 117.5 | ||||
| 132 | E | 38.7 | Very low | 41.7 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 64% | 0.64 | 78% | 0.777 | S | S | * | * | trans | 56.4 | 124.7 | -176.1 | -80.9 | 55.4 | -93.8 | 0 | 0 | 118.8 | ||||
| 133 | Q | 47.3 | Very low | 40.3 | Very low | 163 Ų | 163 | 140 Ų | 140 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | cis | -162 | 152.7 | -14.5 | -140.8 | 173.7 | 29.5 | 0 | 0 | 111.4 | ||||
| 134 | L | 39.8 | Very low | 39.6 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | trans | -87.9 | 133.7 | 157.7 | -77.2 | 165.4 | 0 | 0 | 0 | 108.9 | ||||
| 135 | S | 43.8 | Very low | 38.7 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | -80.3 | 127.4 | 167.9 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 136 | G | 35.9 | Very low | 37.9 | Very low | 72 Ų | 72 | 140.6 Ų | 140.6 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | -87.2 | -148.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 137 | P | 53 | Low | 37.9 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | cis | -134.9 | -172.9 | 23.7 | 42.8 | -26 | 0 | 0 | 0 | 116.2 | ||||
| 138 | L | 29.8 | Very low | 37.2 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 95% | 0.948 | 78% | 0.783 | S | S | * | * | trans | 77.1 | 120.8 | 165 | -151.5 | 76.5 | 0 | 0 | 0 | 116.6 | ||||
| 139 | G | 31.6 | Very low | 37.1 | Very low | 63 Ų | 63 | 138.2 Ų | 138.2 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | cis | 169.9 | 165.6 | -9.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 140 | K | 33.8 | Very low | 37 | Very low | 199 Ų | 199 | 141 Ų | 141 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | trans | 82.3 | 129.7 | 176.4 | -55.9 | 178.4 | -178.5 | 178.4 | 0 | 117.6 | ||||
| 141 | H | 30.9 | Very low | 36.6 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -8.4 | 148.3 | 159.8 | -37.8 | -81.9 | 0 | 0 | 0 | 118.5 | ||||
| 142 | F | 31.8 | Very low | 37.3 | Very low | 208 Ų | 208 | 139.1 Ų | 139.1 | 91% | 0.912 | 78% | 0.783 | S | S | * | * | cis | -139.5 | 177.4 | 28.7 | -74.6 | -96.6 | 0 | 0 | 0 | 114 | ||||
| 143 | A | 30.5 | Very low | 37.1 | Very low | 89 Ų | 89 | 138.4 Ų | 138.4 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -137.7 | 173.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 144 | P | 40.4 | Very low | 36.7 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | cis | -136.8 | -166.5 | 2.3 | 37.9 | -16.9 | 0 | 0 | 0 | 114.9 | ||||
| 145 | C | 30.3 | Very low | 36.7 | Very low | 107 Ų | 107 | 135 Ų | 135 | 72% | 0.723 | 79% | 0.792 | S | S | * | * | trans | 95 | 150.5 | 149.4 | -71.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 146 | D | 29.6 | Very low | 36.3 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | 66.2 | 112 | 159.3 | -54.4 | -23.8 | 0 | 0 | 0 | 121.5 | ||||
| 147 | I | 41.7 | Very low | 36.8 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -90.8 | 127.8 | 164.3 | -58.8 | 167.3 | 0 | 0 | 0 | 108.8 | ||||
| 148 | P | 34.8 | Very low | 36 | Very low | 113 Ų | 113 | 134 Ų | 134 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -117.6 | 120.5 | 148.2 | 14.9 | 4.4 | 0 | 0 | 0 | 110.9 | ||||
| 149 | S | 37.9 | Very low | 36.8 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -74 | 121.6 | 167 | 55.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 150 | L | 33.7 | Very low | 37.3 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -178.3 | 149.8 | 168.1 | -99.2 | 164.7 | 0 | 0 | 0 | 106.9 | ||||
| 151 | T | 38.3 | Very low | 37.8 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | cis | -145.8 | 154.6 | -0.4 | -38.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 152 | R | 48.8 | Very low | 38.7 | Very low | 206 Ų | 206 | 144.8 Ų | 144.8 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | trans | -74.9 | 141.1 | 164.4 | 177.5 | -170.5 | 178.8 | -151.1 | 1.6 | 110.3 | ||||
| 153 | P | 36.4 | Very low | 39.4 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | trans | -55.2 | 141.6 | 172.9 | -26.3 | 35.4 | 0 | 0 | 0 | 113 | ||||
| 154 | S | 39.1 | Very low | 40.1 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -115.4 | 93.6 | -159 | 56.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 155 | T | 38.5 | Very low | 40.2 | Very low | 150 Ų | 150 | 149 Ų | 149 | 92% | 0.92 | 82% | 0.819 | S | S | * | * | trans | -155.8 | 69.1 | 164.4 | 13.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 156 | A | 36 | Very low | 41.4 | Very low | 82 Ų | 82 | 151.4 Ų | 151.4 | 68% | 0.678 | 82% | 0.824 | S | S | * | * | trans | -155.6 | 119 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 157 | P | 46.8 | Very low | 42.5 | Very low | 139 Ų | 139 | 153.7 Ų | 153.7 | 90% | 0.903 | 83% | 0.827 | S | S | * | * | trans | -85.2 | 177.5 | -179 | 35.9 | -36.3 | 0 | 0 | 0 | 112.4 | ||||
| 158 | G | 36.3 | Very low | 42.6 | Very low | 79 Ų | 79 | 151.9 Ų | 151.9 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | trans | 108.6 | 99.3 | 164 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 159 | K | 46.7 | Very low | 43 | Very low | 211 Ų | 211 | 154.4 Ų | 154.4 | 92% | 0.917 | 83% | 0.832 | S | S | * | * | trans | -81.7 | 131.5 | 167.1 | -56.3 | 171.8 | -174.6 | 173 | 0 | 109.2 | ||||
| 160 | M | 41.2 | Very low | 42.9 | Very low | 187 Ų | 187 | 156 Ų | 156 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | -140.4 | 154.6 | 151.1 | -71 | -155.4 | 85 | 0 | 0 | 110.3 | ||||
| 161 | Q | 45 | Very low | 42.7 | Very low | 187 Ų | 187 | 159.8 Ų | 159.8 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -78 | 154.6 | -164.9 | -76.6 | 154.6 | -71 | 0 | 0 | 114.6 | ||
| 162 | R | 48.2 | Very low | 42.5 | Very low | 242 Ų | 242 | 164.4 Ų | 164.4 | 91% | 0.913 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 125.4 | 164.2 | -71.8 | 180 | 174.2 | 170 | -1.6 | 110.7 | ||
| 163 | P | 47.5 | Very low | 41.8 | Very low | 126 Ų | 126 | 160.1 Ų | 160.1 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 165.7 | 158.8 | -21.5 | 35.6 | 0 | 0 | 0 | 113.1 | ||
| 164 | V | 43.9 | Very low | 41.6 | Very low | 135 Ų | 135 | 158.7 Ų | 158.7 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 149.1 | -164.6 | 175.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 165 | R | 44.2 | Very low | 41.4 | Very low | 238 Ų | 238 | 159.7 Ų | 159.7 | 90% | 0.898 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 123.7 | 174.2 | -177.6 | -177.7 | -168.9 | 146.5 | 1.3 | 111.2 | ||
| 166 | L | 53.8 | Low | 41.1 | Very low | 157 Ų | 157 | 156.6 Ų | 156.6 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 159.6 | 168.8 | -63.8 | -179.6 | 0 | 0 | 0 | 111.7 | ||
| 167 | K | 53 | Low | 41 | Very low | 197 Ų | 197 | 161 Ų | 161 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 152.5 | -175.9 | -70.1 | -176.4 | 179.3 | 178.5 | 0 | 112.2 | ||
| 168 | P | 43.9 | Very low | 41 | Very low | 129 Ų | 129 | 159.5 Ų | 159.5 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 146.5 | 172.5 | -15.1 | 30 | 0 | 0 | 0 | 112.2 | ||
| 169 | I | 43.4 | Very low | 40.8 | Very low | 166 Ų | 166 | 167.5 Ų | 167.5 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -93 | 135.5 | 172.5 | -62.2 | 176.5 | 0 | 0 | 0 | 109.3 | ||
| 170 | H | 35.9 | Very low | 40.1 | Very low | 142 Ų | 142 | 165.7 Ų | 165.7 | 66% | 0.657 | 82% | 0.822 | S | S | * | * | trans | -114.6 | 130.2 | 177.7 | 172.9 | 63.1 | 0 | 0 | 0 | 110.8 | ||||
| 171 | R | 30.7 | Very low | 39.5 | Very low | 234 Ų | 234 | 164.6 Ų | 164.6 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -142.1 | 140.3 | 160.3 | -80.3 | -160.7 | 176 | -133 | 0.8 | 111.4 | ||||
| 172 | R | 33.7 | Very low | 38.8 | Very low | 215 Ų | 215 | 160.1 Ų | 160.1 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -84.5 | 163.7 | 161.8 | -45.1 | 175.6 | -173.3 | 175.6 | 2.3 | 106.5 | ||||
| 173 | S | 34.2 | Very low | 38.8 | Very low | 116 Ų | 116 | 153.6 Ų | 153.6 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | cis | -154.7 | -175.6 | 14.2 | 49.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 174 | S | 31.7 | Very low | 37.9 | Very low | 92 Ų | 92 | 156.1 Ų | 156.1 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | cis | -168.8 | 162 | 29.1 | -165.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 175 | T | 35 | Very low | 37.3 | Very low | 130 Ų | 130 | 161.6 Ų | 161.6 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | trans | 47.9 | 139.8 | 151.7 | 29.8 | 0 | 0 | 0 | 0 | 125 | ||||
| 176 | A | 31.8 | Very low | 36.6 | Very low | 85 Ų | 85 | 158 Ų | 158 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | trans | 81 | 88.8 | 139.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 177 | L | 33.5 | Very low | 35.3 | Very low | 173 Ų | 173 | 155.5 Ų | 155.5 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | 64.5 | 161.3 | 118.6 | -72.6 | 173.2 | 0 | 0 | 0 | 120.8 | |||||
| 178 | P | 48 | Very low | 34 | Very low | 108 Ų | 108 | 153.7 Ų | 153.7 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -104.9 | 168.8 | -146.6 | 40.3 | -37.8 | 0 | 0 | 0 | 115.4 | ||||
| 179 | R | 31.7 | Very low | 33.3 | Very low | 248 Ų | 248 | 152 Ų | 152 | 94% | 0.936 | 77% | 0.774 | S | S | * | * | trans | -130 | 105.7 | 157.4 | -73.2 | -170.7 | 175.4 | 152.2 | 2.6 | 112.4 | ||||
| 180 | H | 31.7 | Very low | 32.4 | Very low | 172 Ų | 172 | 153.4 Ų | 153.4 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | -63.8 | 146.9 | 152.7 | -170.7 | -98.7 | 0 | 0 | 0 | 109.4 | ||||
| 181 | I | 29.1 | Very low | 32.1 | Very low | 164 Ų | 164 | 153.4 Ų | 153.4 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | -173.1 | 151 | 147.4 | -101.5 | 152.9 | 0 | 0 | 0 | 110 | ||||
| 182 | S | 29.1 | Very low | 31.8 | Very low | 93 Ų | 93 | 149.2 Ų | 149.2 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | trans | -115 | -140.2 | -176.1 | -166.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 183 | P | 49.5 | Very low | 31.6 | Very low | 106 Ų | 106 | 144.7 Ų | 144.7 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | -118.2 | -178.2 | -104.7 | 36.6 | -22.2 | 0 | 0 | 0 | 115.7 | |||||
| 184 | Y | 28.1 | Very low | 31.4 | Very low | 179 Ų | 179 | 147 Ų | 147 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | trans | 83.1 | 116 | 139.3 | -141.5 | -93.8 | 0 | 0 | 0 | 120.2 | K186 | Y184-K186 HydrophobicContact CE1-CD 4.35Å; Y184-K186 HydrophobicContact CE1-CG 4.13Å; Y184-K186 WeakPolarHBondContact OH-CE 3.39Å | ||
| 185 | R | 31.8 | Very low | 32 | Very low | 249 Ų | 249 | 146.8 Ų | 146.8 | 94% | 0.94 | 76% | 0.764 | S | S | * | * | trans | -159.2 | 169.8 | 132.6 | -113.3 | -178.7 | -166.2 | -116.7 | 3.6 | 112.3 | ||||
| 186 | K | 29.6 | Very low | 31.7 | Very low | 163 Ų | 163 | 149.4 Ų | 149.4 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | trans | -122.3 | 151.2 | -167.1 | -57 | 169.1 | 174.6 | 172.2 | 0 | 112.3 | Y184 | Y184-K186 HydrophobicContact CE1-CD 4.35Å; Y184-K186 HydrophobicContact CE1-CG 4.13Å; Y184-K186 WeakPolarHBondContact OH-CE 3.39Å | ||
| 187 | S | 26.5 | Very low | 31.5 | Very low | 105 Ų | 105 | 151.9 Ų | 151.9 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | 177.8 | 136.3 | 140.9 | -99.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 188 | L | 25.8 | Very low | 31.2 | Very low | 158 Ų | 158 | 149.4 Ų | 149.4 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | 60.6 | 135.3 | 68.7 | -63 | 173.5 | 0 | 0 | 0 | 113.5 | |||||
| 189 | S | 28.8 | Very low | 30.2 | Very low | 95 Ų | 95 | 152 Ų | 152 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | cis | -179.9 | 155.9 | -16.5 | 46.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 190 | F | 24.5 | Very low | 30.1 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | trans | 66.6 | 174.3 | 154.7 | -134.6 | -97.4 | 0 | 0 | 0 | 116.3 | ||||
| 191 | L | 29.2 | Very low | 30 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | trans | 107 | 95.9 | 178.1 | -67.1 | 127.8 | 0 | 0 | 0 | 115.2 | ||||
| 192 | E | 24.1 | Very low | 30.1 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | trans | -86.3 | 160.4 | 179.4 | 80.7 | -139 | -111.8 | 0 | 0 | 114.3 | ||||
| 193 | S | 30.2 | Very low | 30.3 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | trans | 173.6 | 130 | 138.2 | 55.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 194 | Q | 29.5 | Very low | 29.5 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 77% | 0.771 | 75% | 0.75 | S | S | * | * | trans | -97.7 | -171.8 | 165.6 | -123.1 | -167.7 | 27.4 | 0 | 0 | 108.2 | ||||
| 195 | P | 45 | Very low | 29.7 | Very low | 87 Ų | 87 | 146.7 Ų | 146.7 | 57% | 0.565 | 75% | 0.752 | S | S | * | * | cis | -143.5 | -171.4 | -22.2 | 39 | -19.4 | 0 | 0 | 0 | 115.9 | ||||
| 196 | Y | 28.5 | Very low | 29.8 | Very low | 184 Ų | 184 | 146.7 Ų | 146.7 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | 68.7 | 130.4 | 139 | -71.6 | -43.3 | 0 | 0 | 0 | 125.9 | ||||
| 197 | N | 27.7 | Very low | 30 | Very low | 138 Ų | 138 | 147.7 Ų | 147.7 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | 94.1 | 158.2 | 129.1 | -72.8 | -6.3 | 0 | 0 | 0 | 124 | |||||
| 198 | C | 26.6 | Very low | 30.2 | Very low | 121 Ų | 121 | 152.1 Ų | 152.1 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 74.9 | 151.1 | 167.6 | -61.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 199 | L | 27.7 | Very low | 30.4 | Very low | 163 Ų | 163 | 149.7 Ų | 149.7 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | cis | -161 | 165.1 | -34.5 | -164.7 | 62.4 | 0 | 0 | 0 | 107.4 | ||||
| 200 | A | 29 | Very low | 30.4 | Very low | 73 Ų | 73 | 151.3 Ų | 151.3 | 60% | 0.603 | 76% | 0.756 | S | S | * | * | trans | -75.1 | 151.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 201 | N | 30.9 | Very low | 30.8 | Very low | 126 Ų | 126 | 150.4 Ų | 150.4 | 67% | 0.674 | 75% | 0.751 | S | S | * | * | 177.4 | 155.3 | 106.1 | -99.7 | -54.9 | 0 | 0 | 0 | 119.4 | |||||
| 202 | F | 29.9 | Very low | 30.9 | Very low | 146 Ų | 146 | 149.7 Ų | 149.7 | 64% | 0.64 | 75% | 0.749 | S | S | * | * | trans | 59.7 | 108.3 | 147.5 | -60 | -34.5 | 0 | 0 | 0 | 125.9 | ||||
| 203 | K | 32.9 | Very low | 31.3 | Very low | 181 Ų | 181 | 150.9 Ų | 150.9 | 79% | 0.787 | 76% | 0.758 | S | S | * | * | 57.3 | 134 | 113.6 | -63.7 | 164.6 | -177 | 158.6 | 0 | 121.2 | |||||
| 204 | S | 33.8 | Very low | 31.3 | Very low | 127 Ų | 127 | 155.2 Ų | 155.2 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | trans | -138.5 | 155.6 | 134.7 | 66 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 205 | R | 32 | Very low | 32.1 | Very low | 197 Ų | 197 | 153.4 Ų | 153.4 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -111.6 | 157.7 | -174 | -107.2 | -175.3 | 172.7 | -170.7 | 2.7 | 111.5 | ||||
| 206 | R | 34.3 | Very low | 31.3 | Very low | 248 Ų | 248 | 152.6 Ų | 152.6 | 94% | 0.936 | 77% | 0.767 | S | S | * | * | trans | -149.6 | 159.5 | 143.3 | -119.2 | 178.2 | -86 | -162.4 | -2.2 | 110.4 | ||||
| 207 | R | 34 | Very low | 31.5 | Very low | 185 Ų | 185 | 152.8 Ų | 152.8 | 70% | 0.698 | 78% | 0.78 | S | S | * | * | trans | -144.2 | 139.6 | -173.8 | -85.5 | -177.3 | 164.9 | -173.9 | -6.4 | 111.4 | ||||
| 208 | F | 29.5 | Very low | 31.8 | Very low | 197 Ų | 197 | 152.4 Ų | 152.4 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -164.6 | 147.3 | 155.6 | -76.6 | -51.5 | 0 | 0 | 0 | 107.3 | ||||
| 209 | T | 30.4 | Very low | 32.1 | Very low | 108 Ų | 108 | 152.2 Ų | 152.2 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | cis | 78.4 | 125.5 | 2.8 | 80 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 210 | T | 29.4 | Very low | 32.4 | Very low | 128 Ų | 128 | 153.4 Ų | 153.4 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | cis | -168.6 | 164.8 | 3.9 | 4.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 211 | K | 32.8 | Very low | 33 | Very low | 176 Ų | 176 | 155.9 Ų | 155.9 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | trans | 71.3 | 106.7 | 158.6 | -70.7 | -165.5 | 170.9 | -171.8 | 0 | 121.5 | ||||
| 212 | D | 30 | Very low | 33.2 | Very low | 127 Ų | 127 | 157.7 Ų | 157.7 | 68% | 0.679 | 80% | 0.797 | S | S | * | * | 50.1 | 125.1 | 118.1 | -38.5 | -32 | 0 | 0 | 0 | 122.9 | |||||
| 213 | I | 32.9 | Very low | 33.5 | Very low | 172 Ų | 172 | 156.6 Ų | 156.6 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | -162.7 | 137.7 | 128.3 | -97 | 152.5 | 0 | 0 | 0 | 108.8 | |||||
| 214 | Y | 30.4 | Very low | 33.5 | Very low | 210 Ų | 210 | 153.8 Ų | 153.8 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -97.3 | 176.3 | 178.5 | -92.4 | -87.7 | 0 | 0 | 0 | 110.8 | ||||
| 215 | P | 45.7 | Very low | 33.6 | Very low | 128 Ų | 128 | 154.1 Ų | 154.1 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | cis | -135.2 | 176.8 | 21.7 | 42.1 | -23.6 | 0 | 0 | 0 | 117.4 | ||||
| 216 | G | 28.7 | Very low | 33.7 | Very low | 69 Ų | 69 | 153.7 Ų | 153.7 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -170.5 | 8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 217 | L | 32.9 | Very low | 33.8 | Very low | 189 Ų | 189 | 148.8 Ų | 148.8 | 99% | 0.99 | 80% | 0.795 | S | S | * | * | trans | 63.3 | 164.4 | 172.5 | -68.8 | 171.3 | 0 | 0 | 0 | 119.2 | ||||
| 218 | D | 33.1 | Very low | 33.9 | Very low | 129 Ų | 129 | 150 Ų | 150 | 69% | 0.69 | 81% | 0.805 | S | S | * | * | trans | -118.2 | 154.5 | -171.1 | 169.1 | 44.8 | 0 | 0 | 0 | 112 | ||||
| 219 | S | 33.7 | Very low | 34.4 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -176.2 | 107.8 | 160.1 | -80.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 220 | F | 34.4 | Very low | 34.7 | Very low | 187 Ų | 187 | 149.8 Ų | 149.8 | 82% | 0.82 | 81% | 0.806 | S | S | * | * | trans | -85.4 | 137.4 | 161.3 | -81.9 | -99.3 | 0 | 0 | 0 | 111.5 | ||||
| 221 | C | 40.6 | Very low | 35.1 | Very low | 126 Ų | 126 | 149 Ų | 149 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | 178.8 | 144.5 | 138.4 | -97.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 222 | L | 36.2 | Very low | 35.4 | Very low | 163 Ų | 163 | 146.8 Ų | 146.8 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -131.6 | 145.9 | 162.3 | -75.3 | 177.2 | 0 | 0 | 0 | 109.2 | ||||
| 223 | P | 35.7 | Very low | 36 | Very low | 124 Ų | 124 | 146 Ų | 146 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | trans | -77.9 | 134.7 | -167.3 | 29.8 | -35.3 | 0 | 0 | 0 | 113.5 | ||||
| 224 | V | 33 | Very low | 36.6 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | trans | -87.9 | 137.8 | 170.9 | 175.1 | 0 | 0 | 0 | 0 | 110 | K226 | V224-K226 HydrophobicContact CG1-CG 4.14Š| ||
| 225 | T | 37 | Very low | 36.9 | Very low | 135 Ų | 135 | 138 Ų | 138 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | trans | -125 | 104.6 | 161.6 | 42.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 226 | K | 33.5 | Very low | 36.9 | Very low | 187 Ų | 187 | 138.6 Ų | 138.6 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -82 | 134.2 | 167.7 | -71.6 | -177.8 | 177 | -179.2 | 0 | 108.5 | V224 | V224-K226 HydrophobicContact CG1-CG 4.14Š| ||
| 227 | N | 36.5 | Very low | 37.4 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | -151 | 87.5 | 165.7 | -95.5 | -34.1 | 0 | 0 | 0 | 109.5 | ||||
| 228 | F | 35.8 | Very low | 38 | Very low | 211 Ų | 211 | 137.2 Ų | 137.2 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -118.7 | 104 | 163.2 | -79.4 | -73.6 | 0 | 0 | 0 | 108 | ||||
| 229 | I | 39.2 | Very low | 38 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 119.8 | 165 | -63.7 | 174.9 | 0 | 0 | 0 | 105.8 | P231 | I229-P231 WeakPolarHBondContact O-CD 3.4Š|
| 230 | I | 36.3 | Very low | 37.8 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 119.2 | 168.8 | -61.4 | 174.6 | 0 | 0 | 0 | 106.7 | T232 | I230-T232 PolarHBondContact O-N 2.76Š|
| 231 | P | 37.9 | Very low | 37.8 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74 | 119.7 | 175.8 | -14.4 | 30.4 | 0 | 0 | 0 | 110.4 | I229 | I229-P231 WeakPolarHBondContact O-CD 3.4Š|
| 232 | T | 39.1 | Very low | 37.9 | Very low | 128 Ų | 128 | 131 Ų | 131 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61 | 134.7 | 166.1 | -46.5 | 0 | 0 | 0 | 0 | 109.3 | I230 | I230-T232 PolarHBondContact O-N 2.76Š|
| 233 | P | 42.8 | Very low | 37.6 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 140.5 | 176.9 | 26.9 | -34.6 | 0 | 0 | 0 | 111 | ||
| 234 | P | 46 | Very low | 37.6 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 145 | 176.9 | 29.2 | -34.6 | 0 | 0 | 0 | 111.4 | ||
| 235 | A | 36.5 | Very low | 37.6 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 153.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P237 | A235-P237 VanDerWaalsContact O-CD 3.32Å; A235-P237 WeakPolarHBondContact O-CD 3.31Å |
| 236 | V | 46.7 | Very low | 38.1 | Very low | 140 Ų | 140 | 127.3 Ų | 127.3 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | -92.7 | 113.7 | -175.1 | -166.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 237 | P | 38.8 | Very low | 38.2 | Very low | 106 Ų | 106 | 130 Ų | 130 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | trans | -78.2 | 139.7 | 169.3 | 31.9 | -33.2 | 0 | 0 | 0 | 110.6 | A235 | A235-P237 VanDerWaalsContact O-CD 3.32Å; A235-P237 WeakPolarHBondContact O-CD 3.31Å | ||
| 238 | P | 45.8 | Very low | 38.2 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | -87 | 135.9 | 177.8 | 33.6 | -33 | 0 | 0 | 0 | 111.7 | ||||
| 239 | T | 32 | Very low | 38.1 | Very low | 139 Ų | 139 | 128.7 Ų | 128.7 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -160 | 138.9 | 157.2 | -14 | 0 | 0 | 0 | 0 | 113 | ||||
| 240 | G | 30.9 | Very low | 38 | Very low | 69 Ų | 69 | 131.5 Ų | 131.5 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | -79.1 | 173.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 241 | A | 33.8 | Very low | 37.9 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -80.3 | 167.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 242 | P | 43 | Very low | 38 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | -150.2 | 136.5 | 71.9 | 36.7 | -15.9 | 0 | 0 | 0 | 119 | |||||
| 243 | S | 30.5 | Very low | 37.9 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | 46 | 131 | 129 | -154.7 | 0 | 0 | 0 | 0 | 125 | |||||
| 244 | S | 34 | Very low | 37.3 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | 80.3 | 154.2 | 146.9 | 83 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 245 | T | 34.7 | Very low | 36.6 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 69% | 0.687 | 80% | 0.8 | S | S | * | * | cis | -136.4 | 132.4 | 11.2 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 246 | I | 45.8 | Very low | 36.3 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | 58.2 | 117.5 | 97 | -51.8 | 159.3 | 0 | 0 | 0 | 113.8 | |||||
| 247 | R | 36.8 | Very low | 35.5 | Very low | 245 Ų | 245 | 137.4 Ų | 137.4 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | -158.1 | 158.4 | 55.8 | -58.5 | 167.6 | -169.9 | -150.7 | -2.7 | 110.8 | |||||
| 248 | G | 35 | Very low | 35.1 | Very low | 74 Ų | 74 | 137.8 Ų | 137.8 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | cis | 133.9 | 117.7 | -10.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 249 | R | 35.7 | Very low | 34.2 | Very low | 253 Ų | 253 | 135.4 Ų | 135.4 | 96% | 0.955 | 80% | 0.795 | S | S | * | * | trans | -158 | 87.7 | 161.6 | -114.7 | 179.4 | -152.8 | -156.8 | 7.1 | 116.4 | ||||
| 250 | R | 35.9 | Very low | 34.3 | Very low | 209 Ų | 209 | 134.5 Ų | 134.5 | 79% | 0.789 | 79% | 0.79 | S | S | * | * | trans | 34.7 | 117.7 | 139.6 | -175.2 | -176.8 | -69.9 | -148.6 | -2 | 120.5 | ||||
| 251 | L | 34.7 | Very low | 34.7 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -124.6 | 157 | 130.7 | -74.8 | 178.9 | 0 | 0 | 0 | 109.5 | ||||
| 252 | R | 39 | Very low | 34.7 | Very low | 217 Ų | 217 | 145.2 Ų | 145.2 | 82% | 0.819 | 80% | 0.797 | S | S | * | * | trans | -98.6 | 143.2 | -178.2 | -86.3 | 179.8 | 166.7 | 159.8 | -8.2 | 111.8 | ||||
| 253 | P | 37.4 | Very low | 34.6 | Very low | 113 Ų | 113 | 144 Ų | 144 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -89.9 | 161 | 147.9 | 34.9 | -30.2 | 0 | 0 | 0 | 111.9 | ||||
| 254 | S | 30.9 | Very low | 35.1 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | 101.3 | 103 | 170.8 | -47 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 255 | T | 30.3 | Very low | 35.7 | Very low | 145 Ų | 145 | 150.9 Ų | 150.9 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -152.7 | 147.5 | 136.2 | 28.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 256 | S | 30.5 | Very low | 36.3 | Very low | 109 Ų | 109 | 153.5 Ų | 153.5 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | -56.1 | 157.6 | 177.9 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 257 | S | 29.8 | Very low | 36.1 | Very low | 103 Ų | 103 | 156 Ų | 156 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | -174.5 | 172.1 | 56.3 | 48.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 258 | S | 30.7 | Very low | 36.4 | Very low | 115 Ų | 115 | 148.6 Ų | 148.6 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 4.4 | 127.6 | 161 | 56.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 259 | G | 27.3 | Very low | 37.1 | Very low | 71 Ų | 71 | 147.8 Ų | 147.8 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | 179.4 | 90.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 260 | V | 33.8 | Very low | 38.1 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | 47.2 | 116 | 146.8 | -167.9 | 0 | 0 | 0 | 0 | 119.1 | Y262 | V260-Y262 HydrophobicContact CB-CE2 4.42Å; V260-Y262 HydrophobicContact CG1-CD2 3.99Å; V260-Y262 HydrophobicContact CG1-CE2 3.74Å; V260-Y262 PolarHBondContact O-N 2.75Å | ||
| 261 | E | 39.5 | Very low | 39.9 | Very low | 194 Ų | 194 | 136.6 Ų | 136.6 | 91% | 0.907 | 77% | 0.769 | S | S | * | * | trans | -60.9 | 130.6 | 164.4 | -64.7 | -171.5 | 114.2 | 0 | 0 | 112.3 | ||||
| 262 | Y | 32.7 | Very low | 42.1 | Very low | 197 Ų | 197 | 129.8 Ų | 129.8 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | trans | -119.1 | 122.3 | 163.7 | -90.7 | -91.5 | 0 | 0 | 0 | 109.9 | V260 S264 | V260-Y262 HydrophobicContact CB-CE2 4.42Å; V260-Y262 HydrophobicContact CG1-CD2 3.99Å; V260-Y262 HydrophobicContact CG1-CE2 3.74Å; V260-Y262 PolarHBondContact O-N 2.75Å; Y262-S264 PolarHBondContact O-N 2.73Å | ||
| 263 | P | 42.3 | Very low | 44 | Very low | 101 Ų | 101 | 120 Ų | 120 | 66% | 0.656 | 70% | 0.697 | S | S | * | * | trans | -75.4 | 111.1 | -177.9 | 28.5 | -33.5 | 0 | 0 | 0 | 111.3 | R265 | P263-R265 VanDerWaalsContact C-N 3.35Å; P263-R265 PolarHBondContact O-N 3.33Å | ||
| 264 | S | 40.6 | Very low | 46.3 | Very low | 120 Ų | 120 | 124.1 Ų | 124.1 | 84% | 0.839 | 70% | 0.698 | S | S | * | * | trans | -65.3 | 83.6 | 177.4 | -62.7 | 0 | 0 | 0 | 0 | 113 | Y262 L266 | Y262-S264 PolarHBondContact O-N 2.73Å; S264-L266 PolarHBondContact O-N 2.82Å | ||
| 265 | R | 45.5 | Very low | 49.1 | Very low | 232 Ų | 232 | 118.7 Ų | 118.7 | 88% | 0.875 | 66% | 0.66 | S | S | * | * | trans | -73 | 43.2 | 178 | -67.4 | -171.2 | 174.6 | -153.6 | -0.4 | 114.3 | P263 | P263-R265 VanDerWaalsContact C-N 3.35Å; P263-R265 PolarHBondContact O-N 3.33Å | ||
| 266 | L | 47.7 | Very low | 52 | Low | 167 Ų | 167 | 115.1 Ų | 115.1 | 87% | 0.874 | 63% | 0.633 | S | S | * | * | trans | -139.7 | 69.4 | 175.5 | -77.4 | -179.6 | 0 | 0 | 0 | 112.6 | S264 | S264-L266 PolarHBondContact O-N 2.82Š| ||
| 267 | K | 41.4 | Very low | 55 | Low | 195 Ų | 195 | 110.1 Ų | 110.1 | 85% | 0.848 | 60% | 0.598 | S | S | * | * | trans | -157.8 | 136.4 | 147.9 | -127.3 | 172.4 | -175.8 | 178.3 | 0 | 109.7 | S269 | K267-S269 PolarHBondContact O-N 2.85Š| ||
| 268 | G | 44.7 | Very low | 58 | Low | 91 Ų | 91 | 105.9 Ų | 105.9 | 94% | 0.938 | 57% | 0.567 | S | S | * | * | trans | -72.2 | 55.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 269 | S | 48.3 | Very low | 61 | Low | 57 Ų | 57 | 100.4 Ų | 100.4 | 40% | 0.399 | 53% | 0.529 | S | S | . | . | trans | -77.6 | 125.8 | -176.8 | -169.9 | 0 | 0 | 0 | 0 | 109.7 | K267 H271 | K267-S269 PolarHBondContact O-N 2.85Å; S269-H271 PolarHBondContact O-N 2.91Å; S269-H271 VanDerWaalsContact O-N 3.17Å | ||
| 270 | I | 58.2 | Low | 64.1 | Low | 87 Ų | 87 | 98.2 Ų | 98.2 | 45% | 0.446 | 50% | 0.502 | S | S | . | . | trans | -50.3 | 125.1 | 153.9 | -57.5 | 165.8 | 0 | 0 | 0 | 106.4 | Q272 H331 Y334 | I270-Q272 PolarHBondContact O-N 2.98Å; I270-H331 WeakPolarHBondContact CA-CE1 3.48Å; I270-H331 WeakPolarHBondContact CB-CE1 3.28Å; I270-H331 WeakPolarHBondContact CB-ND1 3.49Å; I270-H331 HydrophobicContact CG2-CB 3.75Å; I270-H331 WeakPolarHBondContact CG2-CE1 3.48Å; I270-H331 WeakPolarHBondContact CG2-ND1 3.5Å; I270-H331 PolarHBondContact O-CE1 3.03Å; I270-H331 PolarHBondContact O-ND1 2.95Å; I270-H331 PolarHBondContact O-NE2 2.88Å; I270-Y334 HydrophobicContact CG2-CE2 4.42Å | ||
| 271 | H | 72.2 | Confident | 66.9 | Low | 139 Ų | 139 | 92.5 Ų | 92.5 | 64% | 0.644 | 47% | 0.467 | S | S | * | . | trans | -63.9 | 114 | -169.5 | -74.1 | 78.1 | 0 | 0 | 0 | 109.9 | S269 R332 | S269-H271 PolarHBondContact O-N 2.91Å; S269-H271 VanDerWaalsContact O-N 3.17Å; H271-R332 WeakPolarHBondContact O-CB 3.48Å; H271-R332 VanDerWaalsContact O-CG 3.27Å; H271-R332 WeakPolarHBondContact O-CG 3.36Å; H271-R332 PolarHBondContact O-N 3.49Å | ||
| 272 | Q | 80.9 | Confident | 69.2 | Low | 34 Ų | 34 | 86.7 Ų | 86.7 | 16% | 0.159 | 44% | 0.439 | C | S | . | . | B | Isolated β-bridge | trans | -69.4 | 146 | 173.2 | -68.5 | -170 | -27.9 | 0 | 0 | 109.6 | I270 R329 R330 | I270-Q272 PolarHBondContact O-N 2.98Å; Q272-R329 VanDerWaalsContact CD-O 3.27Å; Q272-R329 WeakPolarHBondContact CG-O 3.43Å; Q272-R329 PolarHBondContact NE2-O 3.09Å; Q272-R330 CarbonylContact C-O 3.5Å; Q272-R330 VanDerWaalsContact CA-O 3.29Å; Q272-R330 WeakPolarHBondContact CA-O 3.28Å |
| 273 | S | 79.8 | Confident | 71.5 | Confident | 12 Ų | 12 | 77.7 Ų | 77.7 | 8% | 0.084 | 41% | 0.406 | C | S | . | . | trans | -66.4 | -41.4 | -175.2 | 66.6 | 0 | 0 | 0 | 0 | 112.1 | V275 S328 R330 E355 | S273-V275 PolarHBondContact O-N 2.77Å; S273-S328 PolarHBondContact OG-O 2.8Å; S273-S328 PolarHBondContact OG-OG 3Å; S273-R330 PolarHBondContact N-O 3.04Å; S273-E355 VanDerWaalsContact CB-OE1 3.24Å; S273-E355 WeakPolarHBondContact CB-OE1 3.44Å; S273-E355 PolarHBondContact OG-OE1 3.38Å | ||
| 274 | R | 84.9 | Confident | 72.9 | Confident | 199 Ų | 199 | 76.6 Ų | 76.6 | 75% | 0.751 | 39% | 0.391 | S | S | * | . | trans | 55.4 | 30.1 | -175.3 | -67 | -170 | 174.5 | -165 | -0.6 | 113.3 | S328 | R274-S328 WeakPolarHBondContact CA-O 3.44Å; R274-S328 PolarHBondContact N-O 2.84Å; R274-S328 VanDerWaalsContact N-O 3.07Å | ||
| 275 | V | 89.6 | Confident | 73.7 | Confident | 3 Ų | 3 | 77.6 Ų | 77.6 | 2% | 0.018 | 39% | 0.386 | C | S | . | . | trans | -70.8 | 130.9 | 177.1 | 172.4 | 0 | 0 | 0 | 0 | 109.4 | S273 V277 L327 S328 E355 M376 E377 A379 | S273-V275 PolarHBondContact O-N 2.77Å; V275-V277 HydrophobicContact CG1-CG2 4.05Å; V275-L327 CarbonylContact O-C 3.58Å; V275-L327 WeakPolarHBondContact O-CA 3.39Å; V275-S328 PolarHBondContact O-N 2.92Å; V275-E355 HydrophobicContact CB-CG 4.1Å; V275-E355 HydrophobicContact CG1-CB 4.04Å; V275-E355 HydrophobicContact CG1-CG 4.07Å; V275-E355 HydrophobicContact CG2-CG 4.31Å; V275-M376 HydrophobicContact CG1-CB 4.32Å; V275-E377 WeakPolarHBondContact CG1-O 3.4Å; V275-A379 HydrophobicContact CG1-CB 3.76Å; V275-A379 HydrophobicContact CG2-CB 4.32Å | ||
| 276 | Q | 92.1 | Very high | 74.2 | Confident | 70 Ų | 70 | 71 Ų | 71 | 33% | 0.327 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 120.7 | 172.3 | -173.4 | 163 | -17.1 | 0 | 0 | 108.6 | L327 M376 E377 | Q276-L327 HydrophobicContact CB-CD2 3.82Å; Q276-L327 HydrophobicContact CG-CD2 4.07Å; Q276-M376 CarbonylContact O-C 3.54Å; Q276-M376 VanDerWaalsContact O-CA 3.3Å; Q276-M376 WeakPolarHBondContact O-CA 3.25Å; Q276-E377 HydrophobicContact CB-CB 4.33Å; Q276-E377 PolarHBondContact N-O 3.27Å; Q276-E377 PolarHBondContact O-N 2.67Å |
| 277 | V | 92.4 | Very high | 74.7 | Confident | 5 Ų | 5 | 68.8 Ų | 68.8 | 3% | 0.03 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123 | -177 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | V275 M279 Q325 F326 F373 M376 | V275-V277 HydrophobicContact CG1-CG2 4.05Å; V277-M279 HydrophobicContact CG1-CG 4.03Å; V277-M279 HydrophobicContact CG1-SD 4.27Å; V277-Q325 VanDerWaalsContact O-CA 3.31Å; V277-Q325 WeakPolarHBondContact O-CA 2.75Å; V277-F326 HydrophobicContact CB-CD2 4.32Å; V277-F326 HydrophobicContact CB-CE1 4.36Å; V277-F326 HydrophobicContact CB-CE2 3.89Å; V277-F326 HydrophobicContact CB-CZ 3.91Å; V277-F326 HydrophobicContact CG1-CE1 4.28Å; V277-F326 HydrophobicContact CG1-CE2 4.27Å; V277-F326 HydrophobicContact CG1-CZ 3.82Å; V277-F326 HydrophobicContact CG2-CE2 4.14Å; V277-F326 PolarHBondContact N-O 3.37Å; V277-F326 PolarHBondContact O-N 2.86Å; V277-F373 HydrophobicContact CG1-CD1 4.02Å; V277-F373 HydrophobicContact CG1-CE1 3.92Å; V277-M376 HydrophobicContact CB-CG 4.48Å; V277-M376 HydrophobicContact CG1-CG 4.15Å; V277-M376 HydrophobicContact CG2-CG 4.33Å |
| 278 | T | 93 | Very high | 75.4 | Confident | 13 Ų | 13 | 67 Ų | 67 | 8% | 0.08 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125 | 178.3 | -48.7 | 0 | 0 | 0 | 0 | 109.2 | V323 Q325 S374 S375 | T278-V323 HydrophobicContact CG2-CG1 3.47Å; T278-V323 VanDerWaalsContact CG2-CG1 3.47Å; T278-Q325 HydrophobicContact CG2-CG 3.94Å; T278-S374 PolarHBondContact O-N 2.88Å; T278-S375 WeakPolarHBondContact CB-O 3.39Å; T278-S375 WeakPolarHBondContact CB-OG 3.33Å; T278-S375 PolarHBondContact N-O 3.48Å; T278-S375 PolarHBondContact O-N 3.49Å; T278-S375 PolarHBondContact OG1-OG 3.48Å; T278-S375 VanDerWaalsContact OG1-OG 3.1Å |
| 279 | M | 93.4 | Very high | 75.8 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 150.4 | -176.2 | -69.4 | -174.2 | 55 | 0 | 0 | 111.5 | V277 V323 F324 F326 F340 I364 F371 G372 F373 | V277-M279 HydrophobicContact CG1-CG 4.03Å; V277-M279 HydrophobicContact CG1-SD 4.27Å; M279-V323 CarbonylContact O-C 3.56Å; M279-V323 WeakPolarHBondContact O-CA 3.33Å; M279-F324 HydrophobicContact CB-CD1 4.14Å; M279-F324 HydrophobicContact CB-CE1 3.61Å; M279-F324 HydrophobicContact CB-CE2 4.16Å; M279-F324 HydrophobicContact CB-CZ 3.63Å; M279-F324 HydrophobicContact CE-CZ 4.14Å; M279-F324 HydrophobicContact CG-CZ 4.48Å; M279-F324 PolarHBondContact N-O 2.9Å; M279-F324 WeakPolarHBondContact O-CD1 3.4Å; M279-F324 PolarHBondContact O-N 2.91Å; M279-F324 HydrophobicContact SD-CZ 4.29Å; M279-F326 HydrophobicContact CG-CE1 4.29Å; M279-F326 HydrophobicContact SD-CE1 3.6Å; M279-F326 VanDerWaalsContact SD-CE1 3.6Å; M279-F326 HydrophobicContact SD-CZ 3.83Å; M279-F340 HydrophobicContact CE-CD1 4.4Å; M279-F340 HydrophobicContact CE-CE1 3.4Å; M279-F340 HydrophobicContact CE-CZ 3.64Å; M279-F340 HydrophobicContact SD-CE1 3.88Å; M279-F340 HydrophobicContact SD-CZ 4Å; M279-I364 HydrophobicContact CE-CD1 3.24Å; M279-F371 HydrophobicContact CE-CB 3.75Å; M279-F371 HydrophobicContact CE-CG 4.46Å; M279-G372 CarbonylContact C-O 3.6Å; M279-G372 WeakPolarHBondContact CA-O 3.33Å; M279-G372 WeakPolarHBondContact CB-O 3.44Å; M279-F373 HydrophobicContact CG-CD1 4.18Å; M279-F373 HydrophobicContact CG-CE1 4.5Å; M279-F373 HydrophobicContact SD-CD1 4.38Å; M279-F373 HydrophobicContact SD-CE1 4.14Å |
| 280 | V | 93.1 | Very high | 76.1 | Confident | 25 Ų | 25 | 70.8 Ų | 70.8 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 136.8 | 171.5 | -166.6 | 0 | 0 | 0 | 0 | 108.2 | F282 V323 F371 G372 | V280-F282 HydrophobicContact CB-CE2 4.12Å; V280-F282 HydrophobicContact CB-CZ 4.04Å; V280-F282 HydrophobicContact CG1-CD1 4.36Å; V280-F282 HydrophobicContact CG1-CE1 4.03Å; V280-F282 HydrophobicContact CG1-CE2 4.44Å; V280-F282 HydrophobicContact CG1-CZ 4.07Å; V280-V323 HydrophobicContact CG2-CG2 4.35Å; V280-F371 CarbonylContact O-C 3.58Å; V280-F371 WeakPolarHBondContact O-CA 2.73Å; V280-G372 PolarHBondContact N-O 3.02Å; V280-G372 PolarHBondContact O-N 2.94Å |
| 281 | Y | 92.9 | Very high | 75.9 | Confident | 1 Ų | 1 | 72.5 Ų | 72.5 | 0% | 0.004 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 121.7 | 167 | 176.8 | -122.6 | 0 | 0 | 0 | 109.3 | D297 I299 L318 R319 G321 D322 Q342 L370 F371 | Y281-D297 HydrophobicContact CE1-CB 4.44Å; Y281-D297 PolarHBondContact OH-OD2 2.86Å; Y281-I299 HydrophobicContact CD1-CG1 4.46Å; Y281-I299 HydrophobicContact CD2-CD1 4.2Å; Y281-I299 HydrophobicContact CD2-CG1 4.34Å; Y281-I299 HydrophobicContact CE1-CD1 4.39Å; Y281-I299 HydrophobicContact CE2-CD1 3.81Å; Y281-I299 HydrophobicContact CE2-CG1 4.4Å; Y281-I299 HydrophobicContact CG-CG1 4.4Å; Y281-L318 HydrophobicContact CD1-CB 3.79Å; Y281-L318 HydrophobicContact CG-CB 4.39Å; Y281-L318 HydrophobicContact CG-CD1 4.45Å; Y281-R319 WeakPolarHBondContact CD1-O 3.08Å; Y281-G321 WeakPolarHBondContact O-CA 3.35Å; Y281-G321 PolarHBondContact O-N 2.86Å; Y281-D322 PolarHBondContact N-O 2.98Å; Y281-Q342 PolarHBondContact OH-NE2 2.94Å; Y281-L370 WeakPolarHBondContact CD2-O 3.46Å; Y281-L370 HydrophobicContact CE2-CB 4.49Å; Y281-L370 HydrophobicContact CE2-CD2 3.63Å; Y281-F371 AromaticContact CD2-CD1 3.74Å; Y281-F371 HydrophobicContact CD2-CD1 3.74Å; Y281-F371 AromaticContact CD2-CE1 3.42Å; Y281-F371 HydrophobicContact CD2-CE1 3.42Å; Y281-F371 VanDerWaalsContact CD2-CE1 3.42Å; Y281-F371 HydrophobicContact CD2-CZ 4.1Å; Y281-F371 AromaticContact CE2-CE1 3.96Å; Y281-F371 HydrophobicContact CE2-CE1 3.96Å; Y281-F371 HydrophobicContact CE2-CZ 4.18Å; Y281-F371 HydrophobicContact CG-CE1 4.36Å |
| 282 | F | 87.3 | Confident | 75.1 | Confident | 73 Ų | 73 | 70.7 Ų | 70.7 | 32% | 0.32 | 36% | 0.362 | S | S | . | . | trans | -95.7 | -11 | -171.5 | -77.2 | -67.2 | 0 | 0 | 0 | 115.1 | V280 R363 L370 | V280-F282 HydrophobicContact CB-CE2 4.12Å; V280-F282 HydrophobicContact CB-CZ 4.04Å; V280-F282 HydrophobicContact CG1-CD1 4.36Å; V280-F282 HydrophobicContact CG1-CE1 4.03Å; V280-F282 HydrophobicContact CG1-CE2 4.44Å; V280-F282 HydrophobicContact CG1-CZ 4.07Å; F282-R363 VanDerWaalsContact CD1-NH2 3.33Å; F282-R363 HydrophobicContact CD2-CG 3.99Å; F282-R363 HydrophobicContact CE2-CG 3.65Å; F282-R363 HydrophobicContact CZ-CG 4.36Å; F282-L370 PolarHBondContact N-O 2.93Å | ||
| 283 | G | 81 | Confident | 73.7 | Confident | 8 Ų | 8 | 74 Ų | 74 | 8% | 0.082 | 39% | 0.389 | C | S | . | . | trans | 86.8 | 177.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116 | E320 L370 | G283-E320 WeakPolarHBondContact CA-OE1 3.31Å; G283-L370 VanDerWaalsContact C-CD2 3.49Å; G283-L370 WeakPolarHBondContact O-CD2 3.45Å | ||
| 284 | K | 71.6 | Confident | 72.6 | Confident | 77 Ų | 77 | 76.7 Ų | 76.7 | 34% | 0.335 | 40% | 0.404 | S | S | . | . | trans | -82 | 134.3 | -178.4 | -60.8 | -172 | -165.8 | 71.5 | 0 | 110.3 | V286 D297 E320 | K284-V286 PolarHBondContact O-N 2.9Å; K284-V286 VanDerWaalsContact O-N 3.1Å; K284-D297 WeakPolarHBondContact CE-OD2 3.35Å; K284-D297 IonicContact NZ-OD1 2.66Å; K284-D297 PolarHBondContact NZ-OD1 3.36Å; K284-D297 IonicContact NZ-OD2 3.17Å; K284-D297 PolarHBondContact NZ-OD2 3.33Å; K284-E320 PolarHBondContact N-OE1 2.93Å | ||
| 285 | L | 58.4 | Low | 71.7 | Confident | 141 Ų | 141 | 71.3 Ų | 71.3 | 74% | 0.738 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -62.6 | -18.3 | 175.9 | -169.3 | 61.7 | 0 | 0 | 0 | 113.5 | N368 | L285-N368 HydrophobicContact CD2-CB 4.38Š|
| 286 | V | 56.4 | Low | 71.2 | Confident | 95 Ų | 95 | 76.4 Ų | 76.4 | 58% | 0.576 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -133.2 | 125 | 177.4 | -171.2 | 0 | 0 | 0 | 0 | 109.8 | K284 L288 | K284-V286 PolarHBondContact O-N 2.9Å; K284-V286 VanDerWaalsContact O-N 3.1Å; V286-L288 HydrophobicContact CG1-CD2 3.85Å; V286-L288 HydrophobicContact CG1-CG 4.04Å |
| 287 | H | 56.3 | Low | 71 | Confident | 120 Ų | 120 | 73.5 Ų | 73.5 | 56% | 0.556 | 40% | 0.395 | S | S | * | . | trans | -91.7 | 131.9 | 170 | -79 | 57.9 | 0 | 0 | 0 | 109.9 | E320 | H287-E320 VanDerWaalsContact CE1-CD 3.42Å; H287-E320 IonicContact CE1-OE1 3.91Å; H287-E320 PolarHBondContact CE1-OE1 3.17Å; H287-E320 VanDerWaalsContact CE1-OE1 3.22Å; H287-E320 IonicContact CE1-OE2 2.75Å; H287-E320 PolarHBondContact CE1-OE2 3.38Å; H287-E320 IonicContact NE2-OE1 3.58Å; H287-E320 IonicContact NE2-OE2 3.03Å | ||
| 288 | L | 57.2 | Low | 71 | Confident | 157 Ų | 157 | 76.2 Ų | 76.2 | 82% | 0.822 | 41% | 0.408 | S | S | * | . | trans | -126.1 | -0.9 | -176.9 | -66 | 176.2 | 0 | 0 | 0 | 114.5 | V286 | V286-L288 HydrophobicContact CG1-CD2 3.85Å; V286-L288 HydrophobicContact CG1-CG 4.04Å | ||
| 289 | S | 53.7 | Low | 71.1 | Confident | 75 Ų | 75 | 75.6 Ų | 75.6 | 52% | 0.524 | 40% | 0.404 | S | S | . | . | trans | -168.5 | 135.4 | 168.4 | 47.1 | 0 | 0 | 0 | 0 | 113.5 | H291 | S289-H291 VanDerWaalsContact C-N 3.31Å; S289-H291 PolarHBondContact O-N 2.96Å | ||
| 290 | D | 53.8 | Low | 71.2 | Confident | 153 Ų | 153 | 79.2 Ų | 79.2 | 82% | 0.818 | 42% | 0.419 | S | S | * | . | trans | -89.5 | 41.7 | 178.8 | -67.8 | -44.6 | 0 | 0 | 0 | 113.4 | ||||
| 291 | H | 54 | Low | 71.3 | Confident | 123 Ų | 123 | 78 Ų | 78 | 57% | 0.569 | 41% | 0.412 | S | S | * | . | trans | -77.2 | 127.1 | 175.2 | -106.3 | -70.5 | 0 | 0 | 0 | 111 | S289 S293 V294 | S289-H291 VanDerWaalsContact C-N 3.31Å; S289-H291 PolarHBondContact O-N 2.96Å; H291-S293 PolarHBondContact O-N 3.35Å; H291-S293 VanDerWaalsContact O-N 3.08Å; H291-V294 HydrophobicContact CB-CB 4.26Å; H291-V294 HydrophobicContact CB-CG2 3.73Å; H291-V294 WeakPolarHBondContact O-CA 3.23Å; H291-V294 WeakPolarHBondContact O-CB 3.47Å; H291-V294 PolarHBondContact O-N 3.27Å | ||
| 292 | P | 54.7 | Low | 71.3 | Confident | 101 Ų | 101 | 79.1 Ų | 79.1 | 66% | 0.656 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -20.1 | -171.9 | 22.8 | -33.4 | 0 | 0 | 0 | 114.8 | I295 | P292-I295 HydrophobicContact CB-CD1 4.34Š|
| 293 | S | 53.1 | Low | 71.7 | Confident | 103 Ų | 103 | 75.7 Ų | 75.7 | 72% | 0.72 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -14 | 171.7 | 38.3 | 0 | 0 | 0 | 0 | 114.2 | H291 | H291-S293 PolarHBondContact O-N 3.35Å; H291-S293 VanDerWaalsContact O-N 3.08Å |
| 294 | V | 56 | Low | 72.2 | Confident | 68 Ų | 68 | 77.6 Ų | 77.6 | 41% | 0.412 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -12.5 | -178.7 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | H291 R296 | H291-V294 HydrophobicContact CB-CB 4.26Å; H291-V294 HydrophobicContact CB-CG2 3.73Å; H291-V294 WeakPolarHBondContact O-CA 3.23Å; H291-V294 WeakPolarHBondContact O-CB 3.47Å; H291-V294 PolarHBondContact O-N 3.27Å; V294-R296 PolarHBondContact O-N 3.01Å |
| 295 | I | 66.8 | Low | 72.9 | Confident | 87 Ų | 87 | 75.3 Ų | 75.3 | 45% | 0.446 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -62 | -7.6 | -178.2 | -55.1 | 176.6 | 0 | 0 | 0 | 113.6 | P292 | P292-I295 HydrophobicContact CB-CD1 4.34Š|
| 296 | R | 78.9 | Confident | 73.8 | Confident | 110 Ų | 110 | 71.5 Ų | 71.5 | 42% | 0.415 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -126.4 | 112.8 | 173.7 | -69.5 | -177.6 | 175.8 | -80.3 | -5.2 | 111.5 | V294 K317 L318 R319 D322 | V294-R296 PolarHBondContact O-N 3.01Å; R296-K317 HydrophobicContact CB-CB 3.98Å; R296-K317 WeakPolarHBondContact CD-O 3.3Å; R296-K317 PolarHBondContact NH1-O 2.94Å; R296-L318 CarbonylContact C-O 3.52Å; R296-L318 VanDerWaalsContact CA-O 3.29Å; R296-L318 WeakPolarHBondContact CA-O 3.36Å; R296-R319 HydrophobicContact CG-CG 3.71Å; R296-D322 IonicContact NH1-OD2 2.73Å; R296-D322 PolarHBondContact NH1-OD2 3.43Å |
| 297 | D | 87.9 | Confident | 74.6 | Confident | 8 Ų | 8 | 70.2 Ų | 70.2 | 4% | 0.043 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 141 | 170.4 | -75 | -35.7 | 0 | 0 | 0 | 110.8 | Y281 K284 I299 K317 L318 Q342 N343 | Y281-D297 HydrophobicContact CE1-CB 4.44Å; Y281-D297 PolarHBondContact OH-OD2 2.86Å; K284-D297 WeakPolarHBondContact CE-OD2 3.35Å; K284-D297 IonicContact NZ-OD1 2.66Å; K284-D297 PolarHBondContact NZ-OD1 3.36Å; K284-D297 IonicContact NZ-OD2 3.17Å; K284-D297 PolarHBondContact NZ-OD2 3.33Å; D297-I299 HydrophobicContact CB-CD1 4.06Å; D297-I299 PolarHBondContact O-N 3.18Å; D297-K317 CarbonylContact O-C 3.5Å; D297-K317 VanDerWaalsContact O-CA 3.32Å; D297-K317 WeakPolarHBondContact O-CA 3.12Å; D297-L318 PolarHBondContact N-O 2.87Å; D297-L318 PolarHBondContact O-N 3.39Å; D297-Q342 HydrophobicContact CB-CG 4.01Å; D297-Q342 PolarHBondContact OD2-NE2 2.79Å; D297-N343 WeakPolarHBondContact CA-OD1 3.4Å; D297-N343 PolarHBondContact OD1-ND2 2.91Å |
| 298 | E | 92 | Very high | 75.5 | Confident | 62 Ų | 62 | 66.8 Ų | 66.8 | 29% | 0.29 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 104.5 | 172.5 | -172.1 | 165.1 | 160.9 | 0 | 0 | 110.1 | Q315 K317 N343 | E298-Q315 PolarHBondContact OE1-NE2 2.89Å; E298-K317 HydrophobicContact CB-CG 4.23Å; E298-K317 HydrophobicContact CG-CG 4.32Å; E298-K317 WeakPolarHBondContact OE2-CE 3.36Å; E298-K317 IonicContact OE2-NZ 2.75Å; E298-K317 PolarHBondContact OE2-NZ 2.96Å; E298-N343 PolarHBondContact N-OD1 2.97Å; E298-N343 PolarHBondContact O-N 3.13Å |
| 299 | I | 94.2 | Very high | 76.8 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 128.4 | 178.9 | -57.5 | -48.2 | 0 | 0 | 0 | 109.3 | Y281 D297 V301 Y314 Q315 G316 L318 Y341 Q342 F371 | Y281-I299 HydrophobicContact CD1-CG1 4.46Å; Y281-I299 HydrophobicContact CD2-CD1 4.2Å; Y281-I299 HydrophobicContact CD2-CG1 4.34Å; Y281-I299 HydrophobicContact CE1-CD1 4.39Å; Y281-I299 HydrophobicContact CE2-CD1 3.81Å; Y281-I299 HydrophobicContact CE2-CG1 4.4Å; Y281-I299 HydrophobicContact CG-CG1 4.4Å; D297-I299 HydrophobicContact CB-CD1 4.06Å; D297-I299 PolarHBondContact O-N 3.18Å; I299-V301 HydrophobicContact CG2-CG2 4.32Å; I299-Y314 HydrophobicContact CB-CE1 4.28Å; I299-Y314 HydrophobicContact CG2-CD1 4.28Å; I299-Y314 HydrophobicContact CG2-CE1 4.32Å; I299-Q315 WeakPolarHBondContact O-CA 3.42Å; I299-G316 PolarHBondContact N-O 3.48Å; I299-G316 PolarHBondContact O-N 3.09Å; I299-L318 HydrophobicContact CB-CD1 4.09Å; I299-L318 HydrophobicContact CB-CG 4.43Å; I299-L318 HydrophobicContact CG1-CB 4.06Å; I299-L318 HydrophobicContact CG1-CD1 3.98Å; I299-L318 HydrophobicContact CG1-CG 4.22Å; I299-L318 HydrophobicContact CG2-CD1 4.38Å; I299-Y341 WeakPolarHBondContact CA-O 3.37Å; I299-Q342 HydrophobicContact CD1-CB 3.98Å; I299-Q342 HydrophobicContact CD1-CG 3.87Å; I299-F371 HydrophobicContact CD1-CE1 4.16Å; I299-F371 HydrophobicContact CD1-CZ 4.07Å; I299-F371 HydrophobicContact CG1-CE1 4.33Å; I299-F371 HydrophobicContact CG2-CE1 3.64Å; I299-F371 HydrophobicContact CG2-CZ 4.07Å |
| 300 | K | 95 | Very high | 78.6 | Confident | 76 Ų | 76 | 66.6 Ų | 66.6 | 33% | 0.33 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 128.9 | 175.8 | -170.2 | 179.6 | -171.2 | 179.6 | 0 | 109.9 | L302 Y314 Q315 Y341 | K300-L302 HydrophobicContact CG-CD2 4.31Å; K300-Y314 CarbonylContact C-O 3.52Å; K300-Y314 WeakPolarHBondContact CA-O 3.44Å; K300-Q315 HydrophobicContact CB-CG 4.26Å; K300-Q315 HydrophobicContact CD-CG 4.39Å; K300-Q315 VanDerWaalsContact CE-OE1 3.29Å; K300-Q315 HydrophobicContact CG-CB 4.19Å; K300-Q315 HydrophobicContact CG-CG 4.1Å; K300-Y341 PolarHBondContact N-O 2.97Å; K300-Y341 PolarHBondContact O-N 3.32Å |
| 301 | V | 95.4 | Very high | 80.4 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.9 | -179.2 | -171.4 | 0 | 0 | 0 | 0 | 109.4 | I299 V313 Y314 F324 F326 L338 F340 | I299-V301 HydrophobicContact CG2-CG2 4.32Å; V301-V313 HydrophobicContact CB-CG2 4.05Å; V301-V313 HydrophobicContact CG1-CG2 3.88Å; V301-V313 WeakPolarHBondContact O-CG2 3.43Å; V301-V313 PolarHBondContact O-N 3.11Å; V301-Y314 HydrophobicContact CG2-CD1 4.39Å; V301-Y314 PolarHBondContact N-O 3.43Å; V301-Y314 PolarHBondContact O-N 2.98Å; V301-F324 HydrophobicContact CG2-CE2 4.02Å; V301-F324 HydrophobicContact CG2-CZ 4.44Å; V301-F326 HydrophobicContact CG1-CZ 4.49Å; V301-L338 HydrophobicContact CG1-CB 4.32Å; V301-L338 HydrophobicContact CG1-CD2 4.23Å; V301-F340 HydrophobicContact CB-CD1 4.44Å; V301-F340 HydrophobicContact CB-CE1 4.45Å; V301-F340 HydrophobicContact CG1-CD1 4.04Å; V301-F340 HydrophobicContact CG1-CE1 3.74Å; V301-F340 HydrophobicContact CG1-CZ 4.16Å; V301-F340 HydrophobicContact CG2-CD1 3.63Å; V301-F340 HydrophobicContact CG2-CE1 3.79Å |
| 302 | L | 94.6 | Very high | 82.2 | Confident | 25 Ų | 25 | 58.6 Ų | 58.6 | 13% | 0.131 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 130.7 | 178 | -59.4 | -169.4 | 0 | 0 | 0 | 110.3 | K300 N310 L311 C312 L338 T339 Y341 | K300-L302 HydrophobicContact CG-CD2 4.31Å; L302-N310 HydrophobicContact CB-CB 4.2Å; L302-N310 HydrophobicContact CD1-CB 4.17Å; L302-L311 CarbonylContact C-O 3.57Å; L302-L311 WeakPolarHBondContact CA-O 3.49Å; L302-C312 HydrophobicContact CD2-CB 3.88Å; L302-L338 CarbonylContact O-C 3.58Å; L302-L338 VanDerWaalsContact O-CA 3.31Å; L302-L338 WeakPolarHBondContact O-CA 3.19Å; L302-T339 PolarHBondContact N-O 3.37Å; L302-T339 PolarHBondContact O-N 2.98Å; L302-Y341 HydrophobicContact CB-CE2 4.48Å; L302-Y341 HydrophobicContact CD1-CD2 4.41Å; L302-Y341 HydrophobicContact CD1-CE2 3.63Å; L302-Y341 HydrophobicContact CG-CD2 4.26Å; L302-Y341 HydrophobicContact CG-CE2 3.87Å |
| 303 | Q | 93.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 116.7 | 176.7 | -173.4 | 174.1 | 45.8 | 0 | 0 | 111.4 | H305 L311 V313 S328 F336 S337 L338 | Q303-H305 HydrophobicContact CG-CB 4.46Å; Q303-H305 PolarHBondContact O-N 3.35Å; Q303-L311 PolarHBondContact N-O 2.89Å; Q303-L311 PolarHBondContact O-N 2.93Å; Q303-V313 HydrophobicContact CB-CG1 3.63Å; Q303-V313 HydrophobicContact CB-CG2 4.12Å; Q303-S328 PolarHBondContact NE2-OG 3Å; Q303-F336 HydrophobicContact CG-CD2 4.04Å; Q303-S337 WeakPolarHBondContact CA-O 3.48Å; Q303-L338 HydrophobicContact CB-CD2 3.72Å; Q303-L338 HydrophobicContact CG-CD2 3.77Å |
| 304 | Q | 92.9 | Very high | 86.1 | Confident | 48 Ų | 48 | 52.2 Ų | 52.2 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 105.2 | 167.3 | -153.8 | -176.3 | 1.5 | 0 | 0 | 108.2 | G307 G308 N310 F336 S337 | Q304-G307 PolarHBondContact NE2-O 2.98Å; Q304-G308 WeakPolarHBondContact CG-O 2.95Å; Q304-N310 WeakPolarHBondContact CB-OD1 3.43Å; Q304-F336 WeakPolarHBondContact O-CB 3.32Å; Q304-S337 VanDerWaalsContact CB-OG 3.24Å; Q304-S337 WeakPolarHBondContact CB-OG 3.49Å; Q304-S337 PolarHBondContact N-O 3.42Å; Q304-S337 PolarHBondContact O-N 2.9Å; Q304-S337 PolarHBondContact OE1-OG 3.15Å |
| 305 | H | 85.4 | Confident | 88 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 14% | 0.139 | 30% | 0.296 | C | S | . | . | trans | -95.3 | -22.7 | -164.3 | 69.1 | -62.1 | 0 | 0 | 0 | 115.1 | Q303 E309 L311 H331 | Q303-H305 HydrophobicContact CG-CB 4.46Å; Q303-H305 PolarHBondContact O-N 3.35Å; H305-E309 PolarHBondContact ND1-O 3.4Å; H305-L311 HydrophobicContact CB-CD1 4.25Å; H305-H331 AromaticContact CD2-CD2 3.56Å | ||
| 306 | C | 78.5 | Confident | 89.2 | Confident | 61 Ų | 61 | 50.6 Ų | 50.6 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -168.4 | 73.8 | 170.9 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | G308 H331 | C306-G308 PolarHBondContact O-N 3.48Å; C306-H331 PolarHBondContact SG-CD2 2.74Å |
| 307 | G | 71.5 | Confident | 89.8 | Confident | 68 Ų | 68 | 51 Ų | 51 | 70% | 0.701 | 29% | 0.288 | S | S | * | . | S | Bend | trans | 73 | -40.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | Q304 | Q304-G307 PolarHBondContact NE2-O 2.98Š|
| 308 | G | 76 | Confident | 90 | Very high | 47 Ų | 47 | 51.1 Ų | 51.1 | 49% | 0.485 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -85.7 | -139.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q304 C306 | Q304-G308 WeakPolarHBondContact CG-O 2.95Å; C306-G308 PolarHBondContact O-N 3.48Å |
| 309 | E | 84.4 | Confident | 89.8 | Confident | 161 Ų | 161 | 53.5 Ų | 53.5 | 75% | 0.752 | 30% | 0.295 | S | S | * | . | trans | -56.5 | 144.1 | -168 | -164.1 | -177.9 | -178 | 0 | 0 | 115.1 | H305 | H305-E309 PolarHBondContact ND1-O 3.4Š| ||
| 310 | N | 90.9 | Very high | 89.5 | Confident | 67 Ų | 67 | 57.4 Ų | 57.4 | 36% | 0.358 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 110 | 176.7 | -76.9 | -42.5 | 0 | 0 | 0 | 111.3 | L302 Q304 | L302-N310 HydrophobicContact CB-CB 4.2Å; L302-N310 HydrophobicContact CD1-CB 4.17Å; Q304-N310 WeakPolarHBondContact CB-OD1 3.43Å |
| 311 | L | 91.3 | Very high | 89.2 | Confident | 41 Ų | 41 | 56.1 Ų | 56.1 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 125.2 | 176.1 | -60.5 | 179.4 | 0 | 0 | 0 | 110.4 | L302 Q303 H305 V313 R329 | L302-L311 CarbonylContact C-O 3.57Å; L302-L311 WeakPolarHBondContact CA-O 3.49Å; Q303-L311 PolarHBondContact N-O 2.89Å; Q303-L311 PolarHBondContact O-N 2.93Å; H305-L311 HydrophobicContact CB-CD1 4.25Å; L311-V313 HydrophobicContact CB-CG1 4.48Å; L311-V313 PolarHBondContact O-N 2.83Å; L311-V313 VanDerWaalsContact O-N 3.12Å; L311-R329 HydrophobicContact CD1-CB 3.96Å |
| 312 | C | 93.4 | Very high | 89 | Confident | 68 Ų | 68 | 58.4 Ų | 58.4 | 46% | 0.459 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 110.5 | 167 | -164.7 | 0 | 0 | 0 | 0 | 109.1 | L302 | L302-C312 HydrophobicContact CD2-CB 3.88Å |
| 313 | V | 94 | Very high | 88.9 | Confident | 26 Ų | 26 | 61.2 Ų | 61.2 | 16% | 0.158 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -23.1 | 179.8 | -67.8 | 0 | 0 | 0 | 0 | 112.5 | V301 Q303 L311 F326 L338 | V301-V313 HydrophobicContact CB-CG2 4.05Å; V301-V313 HydrophobicContact CG1-CG2 3.88Å; V301-V313 WeakPolarHBondContact O-CG2 3.43Å; V301-V313 PolarHBondContact O-N 3.11Å; Q303-V313 HydrophobicContact CB-CG1 3.63Å; Q303-V313 HydrophobicContact CB-CG2 4.12Å; L311-V313 HydrophobicContact CB-CG1 4.48Å; L311-V313 PolarHBondContact O-N 2.83Å; L311-V313 VanDerWaalsContact O-N 3.12Å; V313-F326 HydrophobicContact CB-CB 4.27Å; V313-F326 HydrophobicContact CB-CD2 3.91Å; V313-F326 HydrophobicContact CB-CG 4.29Å; V313-F326 HydrophobicContact CG2-CD2 3.66Å; V313-F326 HydrophobicContact CG2-CE2 4.01Å; V313-F326 HydrophobicContact CG2-CG 4.09Å; V313-F326 VanDerWaalsContact O-CB 3.24Å; V313-F326 WeakPolarHBondContact O-CB 3.5Å; V313-L338 HydrophobicContact CG2-CD2 4.45Å |
| 314 | Y | 95.4 | Very high | 88.9 | Confident | 43 Ų | 43 | 61.6 Ų | 61.6 | 17% | 0.169 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 139.7 | 172.6 | -175.6 | -95.8 | 0 | 0 | 0 | 110.9 | I299 K300 V301 L318 F324 | I299-Y314 HydrophobicContact CB-CE1 4.28Å; I299-Y314 HydrophobicContact CG2-CD1 4.28Å; I299-Y314 HydrophobicContact CG2-CE1 4.32Å; K300-Y314 CarbonylContact C-O 3.52Å; K300-Y314 WeakPolarHBondContact CA-O 3.44Å; V301-Y314 HydrophobicContact CG2-CD1 4.39Å; V301-Y314 PolarHBondContact N-O 3.43Å; V301-Y314 PolarHBondContact O-N 2.98Å; Y314-L318 HydrophobicContact CE1-CD1 4.04Å; Y314-L318 HydrophobicContact CE1-CG 4.35Å; Y314-L318 VanDerWaalsContact OH-CD2 3.25Å; Y314-L318 WeakPolarHBondContact OH-CD2 3.1Å; Y314-F324 AromaticContact CD1-CD2 3.83Å; Y314-F324 HydrophobicContact CD1-CD2 3.83Å; Y314-F324 HydrophobicContact CD1-CE2 4.09Å; Y314-F324 AromaticContact CD2-CD2 3.86Å; Y314-F324 HydrophobicContact CD2-CD2 3.86Å; Y314-F324 HydrophobicContact CE1-CB 4.47Å; Y314-F324 AromaticContact CE1-CD2 3.96Å; Y314-F324 HydrophobicContact CE1-CD2 3.96Å; Y314-F324 HydrophobicContact CE1-CG 4.36Å; Y314-F324 HydrophobicContact CE2-CB 3.92Å; Y314-F324 AromaticContact CE2-CD2 3.99Å; Y314-F324 HydrophobicContact CE2-CD2 3.99Å; Y314-F324 HydrophobicContact CE2-CG 4.39Å; Y314-F324 AromaticContact CG-CD2 3.78Å; Y314-F324 HydrophobicContact CG-CD2 3.78Å; Y314-F324 HydrophobicContact CG-CE2 4.18Å |
| 315 | Q | 95.4 | Very high | 89 | Confident | 103 Ų | 103 | 64 Ų | 64 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 126.8 | 162.9 | -171.5 | 170.1 | -12.9 | 0 | 0 | 108.7 | E298 I299 K300 | E298-Q315 PolarHBondContact OE1-NE2 2.89Å; I299-Q315 WeakPolarHBondContact O-CA 3.42Å; K300-Q315 HydrophobicContact CB-CG 4.26Å; K300-Q315 HydrophobicContact CD-CG 4.39Å; K300-Q315 VanDerWaalsContact CE-OE1 3.29Å; K300-Q315 HydrophobicContact CG-CB 4.19Å; K300-Q315 HydrophobicContact CG-CG 4.1Å |
| 316 | G | 92.6 | Very high | 89.4 | Confident | 18 Ų | 18 | 63 Ų | 63 | 19% | 0.186 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.1 | 163.8 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | I299 | I299-G316 PolarHBondContact N-O 3.48Å; I299-G316 PolarHBondContact O-N 3.09Å |
| 317 | K | 92.1 | Very high | 90.1 | Very high | 119 Ų | 119 | 64.7 Ų | 64.7 | 52% | 0.517 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 102.4 | -175.7 | -61.6 | -154.9 | 178.1 | -146 | 0 | 111.8 | R296 D297 E298 | R296-K317 HydrophobicContact CB-CB 3.98Å; R296-K317 WeakPolarHBondContact CD-O 3.3Å; R296-K317 PolarHBondContact NH1-O 2.94Å; D297-K317 CarbonylContact O-C 3.5Å; D297-K317 VanDerWaalsContact O-CA 3.32Å; D297-K317 WeakPolarHBondContact O-CA 3.12Å; E298-K317 HydrophobicContact CB-CG 4.23Å; E298-K317 HydrophobicContact CG-CG 4.32Å; E298-K317 WeakPolarHBondContact OE2-CE 3.36Å; E298-K317 IonicContact OE2-NZ 2.75Å; E298-K317 PolarHBondContact OE2-NZ 2.96Å |
| 318 | L | 91.3 | Very high | 91 | Very high | 11 Ų | 11 | 61.5 Ų | 61.5 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 149.4 | -170.7 | -64.2 | -177.3 | 0 | 0 | 0 | 112.5 | Y281 R296 D297 I299 Y314 D322 F324 | Y281-L318 HydrophobicContact CD1-CB 3.79Å; Y281-L318 HydrophobicContact CG-CB 4.39Å; Y281-L318 HydrophobicContact CG-CD1 4.45Å; R296-L318 CarbonylContact C-O 3.52Å; R296-L318 VanDerWaalsContact CA-O 3.29Å; R296-L318 WeakPolarHBondContact CA-O 3.36Å; D297-L318 PolarHBondContact N-O 2.87Å; D297-L318 PolarHBondContact O-N 3.39Å; I299-L318 HydrophobicContact CB-CD1 4.09Å; I299-L318 HydrophobicContact CB-CG 4.43Å; I299-L318 HydrophobicContact CG1-CB 4.06Å; I299-L318 HydrophobicContact CG1-CD1 3.98Å; I299-L318 HydrophobicContact CG1-CG 4.22Å; I299-L318 HydrophobicContact CG2-CD1 4.38Å; Y314-L318 HydrophobicContact CE1-CD1 4.04Å; Y314-L318 HydrophobicContact CE1-CG 4.35Å; Y314-L318 VanDerWaalsContact OH-CD2 3.25Å; Y314-L318 WeakPolarHBondContact OH-CD2 3.1Å; L318-D322 WeakPolarHBondContact CA-OD2 3.43Å; L318-D322 HydrophobicContact CB-CB 4.22Å; L318-D322 HydrophobicContact CD2-CB 3.91Å; L318-F324 HydrophobicContact CD1-CB 3.8Å; L318-F324 HydrophobicContact CD1-CD1 3.41Å; L318-F324 VanDerWaalsContact CD1-CD1 3.41Å; L318-F324 HydrophobicContact CD1-CD2 4.43Å; L318-F324 HydrophobicContact CD1-CE1 4.03Å; L318-F324 HydrophobicContact CD1-CG 3.64Å; L318-F324 HydrophobicContact CD2-CB 4.23Å |
| 319 | R | 87.8 | Confident | 91.6 | Very high | 112 Ų | 112 | 65 Ų | 65 | 42% | 0.423 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -96.7 | 160 | 167 | -61.5 | -170.7 | 157.3 | 178.1 | -9.5 | 110.5 | Y281 R296 G321 D322 | Y281-R319 WeakPolarHBondContact CD1-O 3.08Å; R296-R319 HydrophobicContact CG-CG 3.71Å; R319-G321 PolarHBondContact O-N 3.2Å; R319-D322 PolarHBondContact N-OD2 3.36Å; R319-D322 WeakPolarHBondContact O-CB 3.24Å; R319-D322 PolarHBondContact O-N 3.47Å |
| 320 | E | 88.5 | Confident | 91.7 | Very high | 81 Ų | 81 | 57.9 Ų | 57.9 | 38% | 0.379 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 130.9 | 171.9 | -41.7 | -159.1 | 148.5 | 0 | 0 | 110.4 | G283 K284 H287 D322 | G283-E320 WeakPolarHBondContact CA-OE1 3.31Å; K284-E320 PolarHBondContact N-OE1 2.93Å; H287-E320 VanDerWaalsContact CE1-CD 3.42Å; H287-E320 IonicContact CE1-OE1 3.91Å; H287-E320 PolarHBondContact CE1-OE1 3.17Å; H287-E320 VanDerWaalsContact CE1-OE1 3.22Å; H287-E320 IonicContact CE1-OE2 2.75Å; H287-E320 PolarHBondContact CE1-OE2 3.38Å; H287-E320 IonicContact NE2-OE1 3.58Å; H287-E320 IonicContact NE2-OE2 3.03Å; E320-D322 VanDerWaalsContact C-N 3.33Å |
| 321 | G | 86.9 | Confident | 91.5 | Very high | 49 Ų | 49 | 55.7 Ų | 55.7 | 51% | 0.505 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -10.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y281 R319 V323 | Y281-G321 WeakPolarHBondContact O-CA 3.35Å; Y281-G321 PolarHBondContact O-N 2.86Å; R319-G321 PolarHBondContact O-N 3.2Å; G321-V323 PolarHBondContact O-N 3.3Å |
| 322 | D | 92 | Very high | 91.1 | Very high | 49 Ų | 49 | 60.7 Ų | 60.7 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | trans | -63.2 | 135.3 | 177.6 | -80.6 | -9.7 | 0 | 0 | 0 | 110.7 | Y281 R296 L318 R319 E320 | Y281-D322 PolarHBondContact N-O 2.98Å; R296-D322 IonicContact NH1-OD2 2.73Å; R296-D322 PolarHBondContact NH1-OD2 3.43Å; L318-D322 WeakPolarHBondContact CA-OD2 3.43Å; L318-D322 HydrophobicContact CB-CB 4.22Å; L318-D322 HydrophobicContact CD2-CB 3.91Å; R319-D322 PolarHBondContact N-OD2 3.36Å; R319-D322 WeakPolarHBondContact O-CB 3.24Å; R319-D322 PolarHBondContact O-N 3.47Å; E320-D322 VanDerWaalsContact C-N 3.33Å | ||
| 323 | V | 93.3 | Very high | 90.4 | Very high | 84 Ų | 84 | 60.8 Ų | 60.8 | 51% | 0.509 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 125.7 | 173.1 | -175.9 | 0 | 0 | 0 | 0 | 109 | T278 M279 V280 G321 | T278-V323 HydrophobicContact CG2-CG1 3.47Å; T278-V323 VanDerWaalsContact CG2-CG1 3.47Å; M279-V323 CarbonylContact O-C 3.56Å; M279-V323 WeakPolarHBondContact O-CA 3.33Å; V280-V323 HydrophobicContact CG2-CG2 4.35Å; G321-V323 PolarHBondContact O-N 3.3Å |
| 324 | F | 94.4 | Very high | 90 | Very high | 7 Ų | 7 | 65.7 Ų | 65.7 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 161.2 | 179.7 | 72.4 | -80.4 | 0 | 0 | 0 | 111.9 | M279 V301 Y314 L318 F326 F371 | M279-F324 HydrophobicContact CB-CD1 4.14Å; M279-F324 HydrophobicContact CB-CE1 3.61Å; M279-F324 HydrophobicContact CB-CE2 4.16Å; M279-F324 HydrophobicContact CB-CZ 3.63Å; M279-F324 HydrophobicContact CE-CZ 4.14Å; M279-F324 HydrophobicContact CG-CZ 4.48Å; M279-F324 PolarHBondContact N-O 2.9Å; M279-F324 WeakPolarHBondContact O-CD1 3.4Å; M279-F324 PolarHBondContact O-N 2.91Å; M279-F324 HydrophobicContact SD-CZ 4.29Å; V301-F324 HydrophobicContact CG2-CE2 4.02Å; V301-F324 HydrophobicContact CG2-CZ 4.44Å; Y314-F324 AromaticContact CD1-CD2 3.83Å; Y314-F324 HydrophobicContact CD1-CD2 3.83Å; Y314-F324 HydrophobicContact CD1-CE2 4.09Å; Y314-F324 AromaticContact CD2-CD2 3.86Å; Y314-F324 HydrophobicContact CD2-CD2 3.86Å; Y314-F324 HydrophobicContact CE1-CB 4.47Å; Y314-F324 AromaticContact CE1-CD2 3.96Å; Y314-F324 HydrophobicContact CE1-CD2 3.96Å; Y314-F324 HydrophobicContact CE1-CG 4.36Å; Y314-F324 HydrophobicContact CE2-CB 3.92Å; Y314-F324 AromaticContact CE2-CD2 3.99Å; Y314-F324 HydrophobicContact CE2-CD2 3.99Å; Y314-F324 HydrophobicContact CE2-CG 4.39Å; Y314-F324 AromaticContact CG-CD2 3.78Å; Y314-F324 HydrophobicContact CG-CD2 3.78Å; Y314-F324 HydrophobicContact CG-CE2 4.18Å; L318-F324 HydrophobicContact CD1-CB 3.8Å; L318-F324 HydrophobicContact CD1-CD1 3.41Å; L318-F324 VanDerWaalsContact CD1-CD1 3.41Å; L318-F324 HydrophobicContact CD1-CD2 4.43Å; L318-F324 HydrophobicContact CD1-CE1 4.03Å; L318-F324 HydrophobicContact CD1-CG 3.64Å; L318-F324 HydrophobicContact CD2-CB 4.23Å; F324-F326 HydrophobicContact CD2-CD1 4.26Å; F324-F326 HydrophobicContact CE2-CD1 4.01Å; F324-F326 AromaticContact CE2-CE1 3.98Å; F324-F326 HydrophobicContact CE2-CE1 3.98Å; F324-F371 HydrophobicContact CE1-CD1 4.11Å; F324-F371 HydrophobicContact CZ-CD1 4.11Å; F324-F371 HydrophobicContact CZ-CE1 4.48Å |
| 325 | Q | 94.8 | Very high | 89.7 | Confident | 99 Ų | 99 | 68.1 Ų | 68.1 | 46% | 0.463 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 146 | -173.7 | -60 | -174.4 | 11.5 | 0 | 0 | 111.4 | V277 T278 | V277-Q325 VanDerWaalsContact O-CA 3.31Å; V277-Q325 WeakPolarHBondContact O-CA 2.75Å; T278-Q325 HydrophobicContact CG2-CG 3.94Å |
| 326 | F | 94 | Very high | 89.5 | Confident | 10 Ų | 10 | 63.9 Ų | 63.9 | 4% | 0.044 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 162.9 | 170.8 | 58.2 | -90 | 0 | 0 | 0 | 112 | V277 M279 V301 V313 F324 L338 | V277-F326 HydrophobicContact CB-CD2 4.32Å; V277-F326 HydrophobicContact CB-CE1 4.36Å; V277-F326 HydrophobicContact CB-CE2 3.89Å; V277-F326 HydrophobicContact CB-CZ 3.91Å; V277-F326 HydrophobicContact CG1-CE1 4.28Å; V277-F326 HydrophobicContact CG1-CE2 4.27Å; V277-F326 HydrophobicContact CG1-CZ 3.82Å; V277-F326 HydrophobicContact CG2-CE2 4.14Å; V277-F326 PolarHBondContact N-O 3.37Å; V277-F326 PolarHBondContact O-N 2.86Å; M279-F326 HydrophobicContact CG-CE1 4.29Å; M279-F326 HydrophobicContact SD-CE1 3.6Å; M279-F326 VanDerWaalsContact SD-CE1 3.6Å; M279-F326 HydrophobicContact SD-CZ 3.83Å; V301-F326 HydrophobicContact CG1-CZ 4.49Å; V313-F326 HydrophobicContact CB-CB 4.27Å; V313-F326 HydrophobicContact CB-CD2 3.91Å; V313-F326 HydrophobicContact CB-CG 4.29Å; V313-F326 HydrophobicContact CG2-CD2 3.66Å; V313-F326 HydrophobicContact CG2-CE2 4.01Å; V313-F326 HydrophobicContact CG2-CG 4.09Å; V313-F326 VanDerWaalsContact O-CB 3.24Å; V313-F326 WeakPolarHBondContact O-CB 3.5Å; F324-F326 HydrophobicContact CD2-CD1 4.26Å; F324-F326 HydrophobicContact CE2-CD1 4.01Å; F324-F326 AromaticContact CE2-CE1 3.98Å; F324-F326 HydrophobicContact CE2-CE1 3.98Å; F326-L338 HydrophobicContact CE2-CD1 4.28Å; F326-L338 HydrophobicContact CE2-CD2 4.22Å; F326-L338 HydrophobicContact CZ-CD1 3.93Å; F326-L338 HydrophobicContact CZ-CD2 4.5Å |
| 327 | L | 92.2 | Very high | 89.5 | Confident | 96 Ų | 96 | 63.3 Ų | 63.3 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 116.6 | 176.4 | -61.6 | 179.8 | 0 | 0 | 0 | 110.1 | V275 Q276 R329 | V275-L327 CarbonylContact O-C 3.58Å; V275-L327 WeakPolarHBondContact O-CA 3.39Å; Q276-L327 HydrophobicContact CB-CD2 3.82Å; Q276-L327 HydrophobicContact CG-CD2 4.07Å; L327-R329 PolarHBondContact O-N 3.28Å |
| 328 | S | 90.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -62.7 | 126.4 | 169 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | S273 R274 V275 Q303 R330 E355 | S273-S328 PolarHBondContact OG-O 2.8Å; S273-S328 PolarHBondContact OG-OG 3Å; R274-S328 WeakPolarHBondContact CA-O 3.44Å; R274-S328 PolarHBondContact N-O 2.84Å; R274-S328 VanDerWaalsContact N-O 3.07Å; V275-S328 PolarHBondContact O-N 2.92Å; Q303-S328 PolarHBondContact NE2-OG 3Å; S328-R330 WeakPolarHBondContact OG-CB 3.26Å; S328-E355 WeakPolarHBondContact CB-OE1 3.34Å; S328-E355 PolarHBondContact OG-OE1 3.08Å | ||
| 329 | R | 87.6 | Confident | 89.7 | Confident | 121 Ų | 121 | 57.5 Ų | 57.5 | 46% | 0.457 | 30% | 0.298 | S | S | . | . | trans | -107.5 | 11.1 | 177.5 | -59.5 | -159.7 | 63 | -167.4 | -6.8 | 113.1 | Q272 L311 L327 | Q272-R329 VanDerWaalsContact CD-O 3.27Å; Q272-R329 WeakPolarHBondContact CG-O 3.43Å; Q272-R329 PolarHBondContact NE2-O 3.09Å; L311-R329 HydrophobicContact CD1-CB 3.96Å; L327-R329 PolarHBondContact O-N 3.28Å | ||
| 330 | R | 87.4 | Confident | 90 | Very high | 11 Ų | 11 | 52.2 Ų | 52.2 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | trans | -44.6 | 142.4 | 172.5 | 174.1 | -167.9 | 173.9 | -131.1 | -11.2 | 112.4 | Q272 S273 S328 Y334 F336 C353 E355 | Q272-R330 CarbonylContact C-O 3.5Å; Q272-R330 VanDerWaalsContact CA-O 3.29Å; Q272-R330 WeakPolarHBondContact CA-O 3.28Å; S273-R330 PolarHBondContact N-O 3.04Å; S328-R330 WeakPolarHBondContact OG-CB 3.26Å; R330-Y334 VanDerWaalsContact CZ-O 3.24Å; R330-Y334 PolarHBondContact NE-O 3.4Å; R330-Y334 PolarHBondContact NH2-O 2.79Å; R330-F336 HydrophobicContact CB-CB 4.4Å; R330-F336 HydrophobicContact CB-CG 4.36Å; R330-F336 VanDerWaalsContact CD-CD1 3.48Å; R330-F336 HydrophobicContact CG-CB 4Å; R330-F336 HydrophobicContact CG-CD1 4.18Å; R330-F336 HydrophobicContact CG-CG 4.13Å; R330-C353 PolarHBondContact NH2-O 2.89Å; R330-E355 WeakPolarHBondContact CD-OE1 3.38Å; R330-E355 WeakPolarHBondContact CD-OE2 3.25Å; R330-E355 IonicContact CZ-OE2 3.92Å; R330-E355 IonicContact NE-OE2 2.64Å; R330-E355 IonicContact NH1-OE2 2.66Å; R330-E355 PolarHBondContact NH1-OE2 3.15Å | ||
| 331 | H | 86.9 | Confident | 90.2 | Very high | 22 Ų | 22 | 51.1 Ų | 51.1 | 10% | 0.102 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -78.2 | 127.4 | 168.1 | -70.7 | -72 | 0 | 0 | 0 | 112.4 | I270 H305 C306 G333 Y334 | I270-H331 WeakPolarHBondContact CA-CE1 3.48Å; I270-H331 WeakPolarHBondContact CB-CE1 3.28Å; I270-H331 WeakPolarHBondContact CB-ND1 3.49Å; I270-H331 HydrophobicContact CG2-CB 3.75Å; I270-H331 WeakPolarHBondContact CG2-CE1 3.48Å; I270-H331 WeakPolarHBondContact CG2-ND1 3.5Å; I270-H331 PolarHBondContact O-CE1 3.03Å; I270-H331 PolarHBondContact O-ND1 2.95Å; I270-H331 PolarHBondContact O-NE2 2.88Å; H305-H331 AromaticContact CD2-CD2 3.56Å; C306-H331 PolarHBondContact SG-CD2 2.74Å; H331-G333 PolarHBondContact O-N 3.27Å; H331-Y334 HydrophobicContact CB-CD2 3.98Å; H331-Y334 PolarHBondContact O-N 2.86Å |
| 332 | R | 81.6 | Confident | 90.4 | Very high | 146 Ų | 146 | 49.7 Ų | 49.7 | 55% | 0.551 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 136 | 175.8 | -70.7 | 175.7 | -173.1 | -156.8 | -5.5 | 110.4 | H271 | H271-R332 WeakPolarHBondContact O-CB 3.48Å; H271-R332 VanDerWaalsContact O-CG 3.27Å; H271-R332 WeakPolarHBondContact O-CG 3.36Å; H271-R332 PolarHBondContact O-N 3.49Å |
| 333 | G | 79.9 | Confident | 90.3 | Very high | 70 Ų | 70 | 51.6 Ų | 51.6 | 72% | 0.722 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.5 | -36 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | H331 | H331-G333 PolarHBondContact O-N 3.27Š|
| 334 | Y | 85.9 | Confident | 89.9 | Confident | 128 Ų | 128 | 50.5 Ų | 50.5 | 50% | 0.502 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -90.3 | 147.7 | -173.7 | -63.6 | -88 | 0 | 0 | 0 | 112.5 | I270 R330 H331 | I270-Y334 HydrophobicContact CG2-CE2 4.42Å; R330-Y334 VanDerWaalsContact CZ-O 3.24Å; R330-Y334 PolarHBondContact NE-O 3.4Å; R330-Y334 PolarHBondContact NH2-O 2.79Å; H331-Y334 HydrophobicContact CB-CD2 3.98Å; H331-Y334 PolarHBondContact O-N 2.86Å |
| 335 | P | 88.6 | Confident | 89.7 | Confident | 94 Ų | 94 | 56.4 Ų | 56.4 | 61% | 0.61 | 30% | 0.298 | S | S | * | . | trans | -67.9 | 161 | 169 | 31.5 | -35.3 | 0 | 0 | 0 | 110.7 | ||||
| 336 | F | 91.2 | Very high | 89.5 | Confident | 14 Ų | 14 | 56.6 Ų | 56.6 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 167 | 178.3 | 79.2 | -69.3 | 0 | 0 | 0 | 111.4 | Q303 Q304 R330 L338 S352 E355 | Q303-F336 HydrophobicContact CG-CD2 4.04Å; Q304-F336 WeakPolarHBondContact O-CB 3.32Å; R330-F336 HydrophobicContact CB-CB 4.4Å; R330-F336 HydrophobicContact CB-CG 4.36Å; R330-F336 VanDerWaalsContact CD-CD1 3.48Å; R330-F336 HydrophobicContact CG-CB 4Å; R330-F336 HydrophobicContact CG-CD1 4.18Å; R330-F336 HydrophobicContact CG-CG 4.13Å; F336-L338 HydrophobicContact CD2-CD2 4.33Å; F336-L338 HydrophobicContact CD2-CG 4.25Å; F336-L338 HydrophobicContact CE2-CD1 4.05Å; F336-L338 HydrophobicContact CE2-CD2 4.01Å; F336-L338 HydrophobicContact CE2-CG 3.73Å; F336-S352 VanDerWaalsContact CD1-O 3.31Å; F336-S352 WeakPolarHBondContact CD1-O 3.33Å; F336-S352 WeakPolarHBondContact CE1-OG 3.31Å; F336-S352 WeakPolarHBondContact CZ-OG 3.4Å; F336-S352 PolarHBondContact N-O 2.97Å; F336-S352 PolarHBondContact O-N 3.48Å; F336-E355 HydrophobicContact CE1-CG 4.28Å; F336-E355 HydrophobicContact CZ-CG 3.98Å |
| 337 | S | 92.3 | Very high | 89.3 | Confident | 7 Ų | 7 | 58.3 Ų | 58.3 | 5% | 0.049 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 155.9 | 170.5 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | Q303 Q304 R349 L350 | Q303-S337 WeakPolarHBondContact CA-O 3.48Å; Q304-S337 VanDerWaalsContact CB-OG 3.24Å; Q304-S337 WeakPolarHBondContact CB-OG 3.49Å; Q304-S337 PolarHBondContact N-O 3.42Å; Q304-S337 PolarHBondContact O-N 2.9Å; Q304-S337 PolarHBondContact OE1-OG 3.15Å; S337-R349 VanDerWaalsContact OG-CZ 3.29Å; S337-R349 PolarHBondContact OG-NH1 3.48Å; S337-R349 PolarHBondContact OG-NH2 3.5Å; S337-R349 VanDerWaalsContact OG-NH2 3.17Å; S337-L350 CarbonylContact C-O 3.5Å; S337-L350 WeakPolarHBondContact CA-O 3.46Å; S337-L350 WeakPolarHBondContact CB-O 3.45Å |
| 338 | L | 93.3 | Very high | 89.2 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 122.7 | 169.8 | -61.5 | 172.9 | 0 | 0 | 0 | 107.8 | V301 L302 Q303 V313 F326 F336 F340 R349 L350 | V301-L338 HydrophobicContact CG1-CB 4.32Å; V301-L338 HydrophobicContact CG1-CD2 4.23Å; L302-L338 CarbonylContact O-C 3.58Å; L302-L338 VanDerWaalsContact O-CA 3.31Å; L302-L338 WeakPolarHBondContact O-CA 3.19Å; Q303-L338 HydrophobicContact CB-CD2 3.72Å; Q303-L338 HydrophobicContact CG-CD2 3.77Å; V313-L338 HydrophobicContact CG2-CD2 4.45Å; F326-L338 HydrophobicContact CE2-CD1 4.28Å; F326-L338 HydrophobicContact CE2-CD2 4.22Å; F326-L338 HydrophobicContact CZ-CD1 3.93Å; F326-L338 HydrophobicContact CZ-CD2 4.5Å; F336-L338 HydrophobicContact CD2-CD2 4.33Å; F336-L338 HydrophobicContact CD2-CG 4.25Å; F336-L338 HydrophobicContact CE2-CD1 4.05Å; F336-L338 HydrophobicContact CE2-CD2 4.01Å; F336-L338 HydrophobicContact CE2-CG 3.73Å; L338-F340 HydrophobicContact CB-CD2 4.46Å; L338-F340 HydrophobicContact CB-CE2 3.6Å; L338-F340 HydrophobicContact CB-CZ 3.82Å; L338-F340 HydrophobicContact CD1-CE2 4.47Å; L338-F340 HydrophobicContact CD1-CZ 3.97Å; L338-R349 CarbonylContact O-C 3.49Å; L338-R349 WeakPolarHBondContact O-CA 3.39Å; L338-L350 HydrophobicContact CB-CB 4.46Å; L338-L350 PolarHBondContact N-O 3.08Å; L338-L350 PolarHBondContact O-N 3.41Å |
| 339 | T | 94.3 | Very high | 89.2 | Confident | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.025 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 126.9 | 170.3 | -52 | 0 | 0 | 0 | 0 | 108.7 | L302 Y341 L346 R349 | L302-T339 PolarHBondContact N-O 3.37Å; L302-T339 PolarHBondContact O-N 2.98Å; T339-Y341 HydrophobicContact CG2-CD2 4.14Å; T339-Y341 HydrophobicContact CG2-CE2 3.42Å; T339-Y341 VanDerWaalsContact CG2-CE2 3.42Å; T339-L346 HydrophobicContact CG2-CD1 3.5Å; T339-L346 HydrophobicContact CG2-CD2 4.49Å; T339-L346 HydrophobicContact CG2-CG 3.68Å; T339-R349 PolarHBondContact OG1-NH1 3.11Å |
| 340 | F | 94.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.4 | -179 | -62.2 | -93.6 | 0 | 0 | 0 | 110 | M279 V301 L338 V347 E348 L350 F371 | M279-F340 HydrophobicContact CE-CD1 4.4Å; M279-F340 HydrophobicContact CE-CE1 3.4Å; M279-F340 HydrophobicContact CE-CZ 3.64Å; M279-F340 HydrophobicContact SD-CE1 3.88Å; M279-F340 HydrophobicContact SD-CZ 4Å; V301-F340 HydrophobicContact CB-CD1 4.44Å; V301-F340 HydrophobicContact CB-CE1 4.45Å; V301-F340 HydrophobicContact CG1-CD1 4.04Å; V301-F340 HydrophobicContact CG1-CE1 3.74Å; V301-F340 HydrophobicContact CG1-CZ 4.16Å; V301-F340 HydrophobicContact CG2-CD1 3.63Å; V301-F340 HydrophobicContact CG2-CE1 3.79Å; L338-F340 HydrophobicContact CB-CD2 4.46Å; L338-F340 HydrophobicContact CB-CE2 3.6Å; L338-F340 HydrophobicContact CB-CZ 3.82Å; L338-F340 HydrophobicContact CD1-CE2 4.47Å; L338-F340 HydrophobicContact CD1-CZ 3.97Å; F340-V347 PolarHBondContact O-N 3.5Å; F340-E348 PolarHBondContact N-O 3.01Å; F340-L350 HydrophobicContact CE2-CB 4.38Å; F340-L350 HydrophobicContact CE2-CD1 3.81Å; F340-L350 HydrophobicContact CE2-CG 3.92Å; F340-L350 HydrophobicContact CZ-CD1 4.15Å; F340-F371 HydrophobicContact CB-CD2 3.96Å; F340-F371 HydrophobicContact CB-CE2 3.53Å; F340-F371 HydrophobicContact CB-CZ 4.03Å; F340-F371 HydrophobicContact CD1-CD1 4.16Å; F340-F371 AromaticContact CD1-CD2 3.97Å; F340-F371 HydrophobicContact CD1-CD2 3.97Å; F340-F371 HydrophobicContact CD1-CE1 4.29Å; F340-F371 HydrophobicContact CD1-CE2 4.12Å; F340-F371 HydrophobicContact CD1-CG 4Å; F340-F371 HydrophobicContact CD1-CZ 4.27Å; F340-F371 HydrophobicContact CE1-CG 4.49Å; F340-F371 AromaticContact CG-CD2 3.98Å; F340-F371 HydrophobicContact CG-CD2 3.98Å; F340-F371 HydrophobicContact CG-CE2 4.03Å; F340-F371 HydrophobicContact CG-CG 4.45Å |
| 341 | Y | 93.3 | Very high | 89.4 | Confident | 58 Ų | 58 | 61.3 Ų | 61.3 | 23% | 0.227 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 143.6 | 175.3 | -63 | -101.1 | 0 | 0 | 0 | 110.8 | I299 K300 L302 T339 G344 L345 L346 | I299-Y341 WeakPolarHBondContact CA-O 3.37Å; K300-Y341 PolarHBondContact N-O 2.97Å; K300-Y341 PolarHBondContact O-N 3.32Å; L302-Y341 HydrophobicContact CB-CE2 4.48Å; L302-Y341 HydrophobicContact CD1-CD2 4.41Å; L302-Y341 HydrophobicContact CD1-CE2 3.63Å; L302-Y341 HydrophobicContact CG-CD2 4.26Å; L302-Y341 HydrophobicContact CG-CE2 3.87Å; T339-Y341 HydrophobicContact CG2-CD2 4.14Å; T339-Y341 HydrophobicContact CG2-CE2 3.42Å; T339-Y341 VanDerWaalsContact CG2-CE2 3.42Å; Y341-G344 WeakPolarHBondContact CD1-O 3.19Å; Y341-L345 CarbonylContact C-O 3.55Å; Y341-L345 WeakPolarHBondContact CA-O 3.26Å; Y341-L345 WeakPolarHBondContact CB-O 3.2Å; Y341-L346 HydrophobicContact CD1-CB 4.02Å; Y341-L346 HydrophobicContact CE1-CB 3.76Å; Y341-L346 HydrophobicContact CE1-CD1 4.32Å; Y341-L346 HydrophobicContact CE1-CG 4.27Å |
| 342 | Q | 91.3 | Very high | 89.5 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 9% | 0.089 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 117.7 | 176.7 | -179.2 | -174.2 | 10.6 | 0 | 0 | 107.8 | Y281 D297 I299 G344 L345 V347 | Y281-Q342 PolarHBondContact OH-NE2 2.94Å; D297-Q342 HydrophobicContact CB-CG 4.01Å; D297-Q342 PolarHBondContact OD2-NE2 2.79Å; I299-Q342 HydrophobicContact CD1-CB 3.98Å; I299-Q342 HydrophobicContact CD1-CG 3.87Å; Q342-G344 PolarHBondContact O-N 2.92Å; Q342-G344 VanDerWaalsContact O-N 3.09Å; Q342-L345 PolarHBondContact N-O 3.42Å; Q342-L345 PolarHBondContact O-N 3.34Å; Q342-V347 HydrophobicContact CB-CG2 3.48Å; Q342-V347 VanDerWaalsContact CB-CG2 3.48Å |
| 343 | N | 88.9 | Confident | 89.8 | Confident | 89 Ų | 89 | 55.2 Ų | 55.2 | 48% | 0.476 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 30.1 | -175.2 | -56.3 | -28.9 | 0 | 0 | 0 | 113.9 | D297 E298 | D297-N343 WeakPolarHBondContact CA-OD1 3.4Å; D297-N343 PolarHBondContact OD1-ND2 2.91Å; E298-N343 PolarHBondContact N-OD1 2.97Å; E298-N343 PolarHBondContact O-N 3.13Å |
| 344 | G | 85.9 | Confident | 90.2 | Very high | 62 Ų | 62 | 51.9 Ų | 51.9 | 64% | 0.639 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | -15.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y341 Q342 | Y341-G344 WeakPolarHBondContact CD1-O 3.19Å; Q342-G344 PolarHBondContact O-N 2.92Å; Q342-G344 VanDerWaalsContact O-N 3.09Å |
| 345 | L | 88.6 | Confident | 90.3 | Very high | 131 Ų | 131 | 46 Ų | 46 | 69% | 0.686 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 137.5 | 173.4 | -59.7 | 176.9 | 0 | 0 | 0 | 110.4 | Y341 Q342 V347 | Y341-L345 CarbonylContact C-O 3.55Å; Y341-L345 WeakPolarHBondContact CA-O 3.26Å; Y341-L345 WeakPolarHBondContact CB-O 3.2Å; Q342-L345 PolarHBondContact N-O 3.42Å; Q342-L345 PolarHBondContact O-N 3.34Å; L345-V347 PolarHBondContact O-N 2.82Å |
| 346 | L | 91.1 | Very high | 90.2 | Very high | 102 Ų | 102 | 46.4 Ų | 46.4 | 53% | 0.534 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 123.4 | 170.9 | -173.5 | 157.2 | 0 | 0 | 0 | 108.6 | T339 Y341 | T339-L346 HydrophobicContact CG2-CD1 3.5Å; T339-L346 HydrophobicContact CG2-CD2 4.49Å; T339-L346 HydrophobicContact CG2-CG 3.68Å; Y341-L346 HydrophobicContact CD1-CB 4.02Å; Y341-L346 HydrophobicContact CE1-CB 3.76Å; Y341-L346 HydrophobicContact CE1-CD1 4.32Å; Y341-L346 HydrophobicContact CE1-CG 4.27Å |
| 347 | V | 89.3 | Confident | 90 | Very high | 46 Ų | 46 | 52.1 Ų | 52.1 | 28% | 0.279 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -50.5 | -178.5 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | F340 Q342 L345 L370 F371 | F340-V347 PolarHBondContact O-N 3.5Å; Q342-V347 HydrophobicContact CB-CG2 3.48Å; Q342-V347 VanDerWaalsContact CB-CG2 3.48Å; L345-V347 PolarHBondContact O-N 2.82Å; V347-L370 HydrophobicContact CG1-CB 4.15Å; V347-L370 HydrophobicContact CG1-CD1 3.46Å; V347-L370 VanDerWaalsContact CG1-CD1 3.46Å; V347-L370 HydrophobicContact CG1-CG 4.41Å; V347-F371 HydrophobicContact CB-CE2 4.27Å; V347-F371 HydrophobicContact CG1-CE2 4.06Å |
| 348 | E | 90.4 | Very high | 89.4 | Confident | 64 Ų | 64 | 53.2 Ų | 53.2 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 151.9 | -167.7 | -177.4 | 52.9 | -86.9 | 0 | 0 | 110.5 | F340 I364 G365 | F340-E348 PolarHBondContact N-O 3.01Å; E348-I364 HydrophobicContact CB-CG2 4.42Å; E348-I364 HydrophobicContact CG-CG2 3.48Å; E348-I364 VanDerWaalsContact CG-CG2 3.48Å; E348-G365 WeakPolarHBondContact OE2-CA 3.45Å |
| 349 | R | 91.9 | Very high | 88.3 | Confident | 110 Ų | 110 | 56.8 Ų | 56.8 | 42% | 0.415 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 97.8 | -179.6 | -178.4 | 171.3 | 166 | 77.2 | -5 | 111.6 | S337 L338 T339 | S337-R349 VanDerWaalsContact OG-CZ 3.29Å; S337-R349 PolarHBondContact OG-NH1 3.48Å; S337-R349 PolarHBondContact OG-NH2 3.5Å; S337-R349 VanDerWaalsContact OG-NH2 3.17Å; L338-R349 CarbonylContact O-C 3.49Å; L338-R349 WeakPolarHBondContact O-CA 3.39Å; T339-R349 PolarHBondContact OG1-NH1 3.11Å |
| 350 | L | 90.2 | Very high | 87.4 | Confident | 24 Ų | 24 | 64.7 Ų | 64.7 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 138 | 170.7 | -67.6 | -180 | 0 | 0 | 0 | 111.4 | S337 L338 F340 I364 F373 | S337-L350 CarbonylContact C-O 3.5Å; S337-L350 WeakPolarHBondContact CA-O 3.46Å; S337-L350 WeakPolarHBondContact CB-O 3.45Å; L338-L350 HydrophobicContact CB-CB 4.46Å; L338-L350 PolarHBondContact N-O 3.08Å; L338-L350 PolarHBondContact O-N 3.41Å; F340-L350 HydrophobicContact CE2-CB 4.38Å; F340-L350 HydrophobicContact CE2-CD1 3.81Å; F340-L350 HydrophobicContact CE2-CG 3.92Å; F340-L350 HydrophobicContact CZ-CD1 4.15Å; L350-I364 HydrophobicContact CD1-CD1 3.82Å; L350-I364 HydrophobicContact CD1-CG1 3.9Å; L350-I364 HydrophobicContact CD1-CG2 4.02Å; L350-I364 HydrophobicContact CD2-CB 4.43Å; L350-I364 HydrophobicContact CD2-CG1 4.28Å; L350-I364 HydrophobicContact CD2-CG2 3.69Å; L350-I364 HydrophobicContact CG-CG1 4.48Å; L350-I364 HydrophobicContact CG-CG2 3.76Å; L350-F373 HydrophobicContact CD1-CE2 3.54Å; L350-F373 HydrophobicContact CD1-CZ 3.47Å; L350-F373 VanDerWaalsContact CD1-CZ 3.47Å |
| 351 | S | 89.4 | Confident | 86.2 | Confident | 93 Ų | 93 | 67.5 Ų | 67.5 | 65% | 0.65 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 140.8 | 160.4 | 66.2 | 0 | 0 | 0 | 0 | 110 | ||
| 352 | S | 87.8 | Confident | 85.6 | Confident | 9 Ų | 9 | 66.9 Ų | 66.9 | 6% | 0.063 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 152.5 | 179 | 49.6 | 0 | 0 | 0 | 0 | 114 | F336 H358 | F336-S352 VanDerWaalsContact CD1-O 3.31Å; F336-S352 WeakPolarHBondContact CD1-O 3.33Å; F336-S352 WeakPolarHBondContact CE1-OG 3.31Å; F336-S352 WeakPolarHBondContact CZ-OG 3.4Å; F336-S352 PolarHBondContact N-O 2.97Å; F336-S352 PolarHBondContact O-N 3.48Å; S352-H358 WeakPolarHBondContact CB-NE2 3.44Å; S352-H358 PolarHBondContact OG-NE2 2.87Å; S352-H358 VanDerWaalsContact OG-NE2 3.15Å |
| 353 | C | 88.1 | Confident | 85.4 | Confident | 32 Ų | 32 | 71.4 Ų | 71.4 | 22% | 0.216 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -78.5 | -21.3 | -178.7 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | R330 C382 C385 | R330-C353 PolarHBondContact NH2-O 2.89Å; C353-C382 PolarHBondContact O-SG 2.99Å; C353-C382 VanDerWaalsContact O-SG 3.34Å; C353-C385 PolarHBondContact SG-SG 2.93Å |
| 354 | C | 88.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 37% | 0.368 | C | S | . | . | trans | -162.2 | 163.9 | 164.9 | 66 | 0 | 0 | 0 | 0 | 110.1 | Y356 K357 C382 C385 | C354-Y356 VanDerWaalsContact C-N 3.28Å; C354-Y356 PolarHBondContact O-N 2.91Å; C354-K357 WeakPolarHBondContact O-CB 3.44Å; C354-K357 PolarHBondContact O-N 3.44Å; C354-C382 HydrophobicContact CB-CB 3.86Å; C354-C382 VanDerWaalsContact SG-SG 3.62Å; C354-C385 PolarHBondContact SG-SG 3.37Å | ||
| 355 | E | 88.9 | Confident | 85.1 | Confident | 5 Ų | 5 | 66.9 Ų | 66.9 | 2% | 0.023 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -53.3 | -48.3 | 176 | -64.6 | 88.9 | 155 | 0 | 0 | 110.7 | S273 V275 S328 R330 F336 K357 H358 M376 A379 | S273-E355 VanDerWaalsContact CB-OE1 3.24Å; S273-E355 WeakPolarHBondContact CB-OE1 3.44Å; S273-E355 PolarHBondContact OG-OE1 3.38Å; V275-E355 HydrophobicContact CB-CG 4.1Å; V275-E355 HydrophobicContact CG1-CB 4.04Å; V275-E355 HydrophobicContact CG1-CG 4.07Å; V275-E355 HydrophobicContact CG2-CG 4.31Å; S328-E355 WeakPolarHBondContact CB-OE1 3.34Å; S328-E355 PolarHBondContact OG-OE1 3.08Å; R330-E355 WeakPolarHBondContact CD-OE1 3.38Å; R330-E355 WeakPolarHBondContact CD-OE2 3.25Å; R330-E355 IonicContact CZ-OE2 3.92Å; R330-E355 IonicContact NE-OE2 2.64Å; R330-E355 IonicContact NH1-OE2 2.66Å; R330-E355 PolarHBondContact NH1-OE2 3.15Å; F336-E355 HydrophobicContact CE1-CG 4.28Å; F336-E355 HydrophobicContact CZ-CG 3.98Å; E355-K357 PolarHBondContact O-N 3.31Å; E355-H358 PolarHBondContact O-N 2.82Å; E355-M376 VanDerWaalsContact C-SD 3.51Å; E355-M376 HydrophobicContact CB-SD 3.9Å; E355-M376 VanDerWaalsContact O-CE 3.23Å; E355-M376 WeakPolarHBondContact O-CE 3.45Å; E355-A379 HydrophobicContact CB-CB 4.46Å |
| 356 | Y | 85.8 | Confident | 84.8 | Confident | 102 Ų | 102 | 62.7 Ų | 62.7 | 40% | 0.4 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -56 | -18 | -178.4 | -175.2 | -81.8 | 0 | 0 | 0 | 115 | C354 H358 P381 M389 | C354-Y356 VanDerWaalsContact C-N 3.28Å; C354-Y356 PolarHBondContact O-N 2.91Å; Y356-H358 PolarHBondContact O-N 2.89Å; Y356-H358 VanDerWaalsContact O-N 3.12Å; Y356-P381 HydrophobicContact CD1-CB 3.69Å; Y356-P381 HydrophobicContact CE1-CB 3.99Å; Y356-P381 HydrophobicContact CG-CB 4.07Å; Y356-M389 HydrophobicContact CE1-CE 4.03Å; Y356-M389 HydrophobicContact CE1-SD 3.65Å |
| 357 | K | 86 | Confident | 84.2 | Confident | 133 Ų | 133 | 68.6 Ų | 68.6 | 58% | 0.578 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -55.6 | -33.1 | -178.6 | -173.2 | -176.7 | 176.1 | -172.4 | 0 | 112.7 | C354 E355 | C354-K357 WeakPolarHBondContact O-CB 3.44Å; C354-K357 PolarHBondContact O-N 3.44Å; E355-K357 PolarHBondContact O-N 3.31Å |
| 358 | H | 81.3 | Confident | 83.8 | Confident | 31 Ų | 31 | 71.9 Ų | 71.9 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -88.3 | 126.9 | -172.4 | -52.9 | -79.2 | 0 | 0 | 0 | 111.8 | S352 E355 Y356 F373 M376 | S352-H358 WeakPolarHBondContact CB-NE2 3.44Å; S352-H358 PolarHBondContact OG-NE2 2.87Å; S352-H358 VanDerWaalsContact OG-NE2 3.15Å; E355-H358 PolarHBondContact O-N 2.82Å; Y356-H358 PolarHBondContact O-N 2.89Å; Y356-H358 VanDerWaalsContact O-N 3.12Å; H358-F373 HydrophobicContact CB-CD1 4.23Å; H358-F373 HydrophobicContact CB-CD2 3.39Å; H358-F373 HydrophobicContact CB-CE1 4.3Å; H358-F373 HydrophobicContact CB-CE2 3.45Å; H358-F373 VanDerWaalsContact CB-CE2 3.45Å; H358-F373 HydrophobicContact CB-CG 3.79Å; H358-F373 HydrophobicContact CB-CZ 3.93Å; H358-F373 AromaticContact CD2-CE2 3.64Å; H358-F373 AromaticContact CD2-CZ 3.41Å; H358-F373 VanDerWaalsContact CD2-CZ 3.41Å; H358-F373 WeakPolarHBondContact CD2-CZ 3.38Å; H358-F373 AromaticContact CE1-CE2 3.98Å; H358-F373 AromaticContact CG-CD2 3.74Å; H358-F373 AromaticContact CG-CE2 3.21Å; H358-F373 AromaticContact CG-CZ 3.53Å; H358-F373 AromaticContact ND1-CE2 3.49Å; H358-F373 WeakPolarHBondContact ND1-CE2 3.41Å; H358-F373 AromaticContact NE2-CZ 3.87Å; H358-M376 HydrophobicContact CB-CE 4.45Å; H358-M376 WeakPolarHBondContact O-CE 3.31Å |
| 359 | S | 68.6 | Low | 83.6 | Confident | 79 Ų | 79 | 69.1 Ų | 69.1 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 148.8 | 178.2 | 51 | 0 | 0 | 0 | 0 | 112.2 | G361 S362 | S359-G361 PolarHBondContact O-N 3.35Å; S359-S362 WeakPolarHBondContact O-CB 3.41Å; S359-S362 PolarHBondContact O-N 3.23Å; S359-S362 VanDerWaalsContact O-N 3.12Å |
| 360 | K | 75.5 | Confident | 83.5 | Confident | 169 Ų | 169 | 65.6 Ų | 65.6 | 74% | 0.735 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 128.5 | 172.6 | -60 | -177.6 | -175.9 | 177.2 | 0 | 109.3 | S374 | K360-S374 WeakPolarHBondContact CB-O 3.41Å; K360-S374 WeakPolarHBondContact CG-O 3.45Å |
| 361 | G | 69.9 | Low | 83.6 | Confident | 60 Ų | 60 | 64.4 Ų | 64.4 | 62% | 0.619 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90 | -7.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S359 R363 F373 | S359-G361 PolarHBondContact O-N 3.35Å; G361-R363 PolarHBondContact O-N 3.13Å; G361-F373 WeakPolarHBondContact CA-O 3.46Å; G361-F373 PolarHBondContact N-O 3.12Å |
| 362 | S | 80 | Confident | 83.6 | Confident | 45 Ų | 45 | 60 Ų | 60 | 32% | 0.315 | 32% | 0.323 | S | S | . | . | trans | -68.9 | 125.7 | -177.8 | -168.5 | 0 | 0 | 0 | 0 | 112.2 | S359 G372 F373 | S359-S362 WeakPolarHBondContact O-CB 3.41Å; S359-S362 PolarHBondContact O-N 3.23Å; S359-S362 VanDerWaalsContact O-N 3.12Å; S362-G372 CarbonylContact O-C 3.6Å; S362-G372 WeakPolarHBondContact O-CA 3.32Å; S362-F373 PolarHBondContact O-N 3.3Å | ||
| 363 | R | 88.3 | Confident | 83.8 | Confident | 113 Ų | 113 | 60 Ų | 60 | 43% | 0.426 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 146.5 | 169.1 | -75.8 | -171.4 | 175.7 | 171.9 | -0.5 | 111.9 | F282 G361 G366 R367 F371 | F282-R363 VanDerWaalsContact CD1-NH2 3.33Å; F282-R363 HydrophobicContact CD2-CG 3.99Å; F282-R363 HydrophobicContact CE2-CG 3.65Å; F282-R363 HydrophobicContact CZ-CG 4.36Å; G361-R363 PolarHBondContact O-N 3.13Å; R363-G366 WeakPolarHBondContact CB-O 3.35Å; R363-R367 PolarHBondContact NH1-O 3.28Å; R363-F371 WeakPolarHBondContact CA-O 3.35Å |
| 364 | I | 87.9 | Confident | 83.9 | Confident | 7 Ų | 7 | 60.7 Ų | 60.7 | 4% | 0.036 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 114.7 | -171.6 | -67.6 | 159.7 | 0 | 0 | 0 | 106.9 | M279 E348 L350 G369 F371 F373 | M279-I364 HydrophobicContact CE-CD1 3.24Å; E348-I364 HydrophobicContact CB-CG2 4.42Å; E348-I364 HydrophobicContact CG-CG2 3.48Å; E348-I364 VanDerWaalsContact CG-CG2 3.48Å; L350-I364 HydrophobicContact CD1-CD1 3.82Å; L350-I364 HydrophobicContact CD1-CG1 3.9Å; L350-I364 HydrophobicContact CD1-CG2 4.02Å; L350-I364 HydrophobicContact CD2-CB 4.43Å; L350-I364 HydrophobicContact CD2-CG1 4.28Å; L350-I364 HydrophobicContact CD2-CG2 3.69Å; L350-I364 HydrophobicContact CG-CG1 4.48Å; L350-I364 HydrophobicContact CG-CG2 3.76Å; I364-G369 WeakPolarHBondContact O-CA 3.18Å; I364-F371 HydrophobicContact CB-CB 4.23Å; I364-F371 WeakPolarHBondContact CB-O 3.47Å; I364-F371 HydrophobicContact CD1-CB 3.86Å; I364-F371 PolarHBondContact N-O 3.45Å; I364-F373 HydrophobicContact CD1-CD2 3.76Å; I364-F373 HydrophobicContact CD1-CE2 3.53Å; I364-F373 HydrophobicContact CD1-CZ 4.13Å; I364-F373 HydrophobicContact CG1-CD2 3.94Å; I364-F373 HydrophobicContact CG1-CE2 3.73Å |
| 365 | G | 80 | Confident | 83.8 | Confident | 49 Ų | 49 | 62.8 Ų | 62.8 | 51% | 0.505 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | 17.4 | -161.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E348 | E348-G365 WeakPolarHBondContact OE2-CA 3.45Š|
| 366 | G | 83.2 | Confident | 83.7 | Confident | 43 Ų | 43 | 64.5 Ų | 64.5 | 44% | 0.443 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | 74.1 | -147.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | R363 N368 G369 | R363-G366 WeakPolarHBondContact CB-O 3.35Å; G366-N368 VanDerWaalsContact C-N 3.27Å; G366-N368 PolarHBondContact O-N 3.08Å; G366-G369 PolarHBondContact O-N 2.88Å |
| 367 | R | 77.9 | Confident | 83.9 | Confident | 226 Ų | 226 | 66.3 Ų | 66.3 | 85% | 0.853 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -56.6 | -40 | -172.5 | -66.4 | -177.5 | -177.8 | 171.3 | 2.1 | 112.8 | R363 G369 | R363-R367 PolarHBondContact NH1-O 3.28Å; R367-G369 VanDerWaalsContact C-N 3.29Å; R367-G369 PolarHBondContact O-N 3.48Å |
| 368 | N | 80.7 | Confident | 83.7 | Confident | 115 Ų | 115 | 63 Ų | 63 | 62% | 0.615 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -90.9 | 12.5 | -177.1 | -59.8 | 3.1 | 0 | 0 | 0 | 112.6 | L285 G366 L370 | L285-N368 HydrophobicContact CD2-CB 4.38Å; G366-N368 VanDerWaalsContact C-N 3.27Å; G366-N368 PolarHBondContact O-N 3.08Å; N368-L370 PolarHBondContact O-N 3.41Å |
| 369 | G | 86.7 | Confident | 83.9 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 6% | 0.062 | 37% | 0.369 | C | S | . | . | trans | -64.1 | 120.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | I364 G366 R367 F371 | I364-G369 WeakPolarHBondContact O-CA 3.18Å; G366-G369 PolarHBondContact O-N 2.88Å; R367-G369 VanDerWaalsContact C-N 3.29Å; R367-G369 PolarHBondContact O-N 3.48Å; G369-F371 PolarHBondContact O-N 3.29Å | ||
| 370 | L | 88.8 | Confident | 84.6 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 19% | 0.188 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -61.4 | -19.2 | 176.7 | -92.4 | 143.3 | 0 | 0 | 0 | 113.9 | Y281 F282 G283 V347 N368 | Y281-L370 WeakPolarHBondContact CD2-O 3.46Å; Y281-L370 HydrophobicContact CE2-CB 4.49Å; Y281-L370 HydrophobicContact CE2-CD2 3.63Å; F282-L370 PolarHBondContact N-O 2.93Å; G283-L370 VanDerWaalsContact C-CD2 3.49Å; G283-L370 WeakPolarHBondContact O-CD2 3.45Å; V347-L370 HydrophobicContact CG1-CB 4.15Å; V347-L370 HydrophobicContact CG1-CD1 3.46Å; V347-L370 VanDerWaalsContact CG1-CD1 3.46Å; V347-L370 HydrophobicContact CG1-CG 4.41Å; N368-L370 PolarHBondContact O-N 3.41Å |
| 371 | F | 91.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 159.1 | -179.2 | -55.1 | -80.6 | 0 | 0 | 0 | 110.9 | M279 V280 Y281 I299 F324 F340 V347 R363 I364 G369 | M279-F371 HydrophobicContact CE-CB 3.75Å; M279-F371 HydrophobicContact CE-CG 4.46Å; V280-F371 CarbonylContact O-C 3.58Å; V280-F371 WeakPolarHBondContact O-CA 2.73Å; Y281-F371 AromaticContact CD2-CD1 3.74Å; Y281-F371 HydrophobicContact CD2-CD1 3.74Å; Y281-F371 AromaticContact CD2-CE1 3.42Å; Y281-F371 HydrophobicContact CD2-CE1 3.42Å; Y281-F371 VanDerWaalsContact CD2-CE1 3.42Å; Y281-F371 HydrophobicContact CD2-CZ 4.1Å; Y281-F371 AromaticContact CE2-CE1 3.96Å; Y281-F371 HydrophobicContact CE2-CE1 3.96Å; Y281-F371 HydrophobicContact CE2-CZ 4.18Å; Y281-F371 HydrophobicContact CG-CE1 4.36Å; I299-F371 HydrophobicContact CD1-CE1 4.16Å; I299-F371 HydrophobicContact CD1-CZ 4.07Å; I299-F371 HydrophobicContact CG1-CE1 4.33Å; I299-F371 HydrophobicContact CG2-CE1 3.64Å; I299-F371 HydrophobicContact CG2-CZ 4.07Å; F324-F371 HydrophobicContact CE1-CD1 4.11Å; F324-F371 HydrophobicContact CZ-CD1 4.11Å; F324-F371 HydrophobicContact CZ-CE1 4.48Å; F340-F371 HydrophobicContact CB-CD2 3.96Å; F340-F371 HydrophobicContact CB-CE2 3.53Å; F340-F371 HydrophobicContact CB-CZ 4.03Å; F340-F371 HydrophobicContact CD1-CD1 4.16Å; F340-F371 AromaticContact CD1-CD2 3.97Å; F340-F371 HydrophobicContact CD1-CD2 3.97Å; F340-F371 HydrophobicContact CD1-CE1 4.29Å; F340-F371 HydrophobicContact CD1-CE2 4.12Å; F340-F371 HydrophobicContact CD1-CG 4Å; F340-F371 HydrophobicContact CD1-CZ 4.27Å; F340-F371 HydrophobicContact CE1-CG 4.49Å; F340-F371 AromaticContact CG-CD2 3.98Å; F340-F371 HydrophobicContact CG-CD2 3.98Å; F340-F371 HydrophobicContact CG-CE2 4.03Å; F340-F371 HydrophobicContact CG-CG 4.45Å; V347-F371 HydrophobicContact CB-CE2 4.27Å; V347-F371 HydrophobicContact CG1-CE2 4.06Å; R363-F371 WeakPolarHBondContact CA-O 3.35Å; I364-F371 HydrophobicContact CB-CB 4.23Å; I364-F371 WeakPolarHBondContact CB-O 3.47Å; I364-F371 HydrophobicContact CD1-CB 3.86Å; I364-F371 PolarHBondContact N-O 3.45Å; G369-F371 PolarHBondContact O-N 3.29Å |
| 372 | G | 91.3 | Very high | 86 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 158.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | M279 V280 S362 | M279-G372 CarbonylContact C-O 3.6Å; M279-G372 WeakPolarHBondContact CA-O 3.33Å; M279-G372 WeakPolarHBondContact CB-O 3.44Å; V280-G372 PolarHBondContact N-O 3.02Å; V280-G372 PolarHBondContact O-N 2.94Å; S362-G372 CarbonylContact O-C 3.6Å; S362-G372 WeakPolarHBondContact O-CA 3.32Å |
| 373 | F | 91.1 | Very high | 86.2 | Confident | 7 Ų | 7 | 62.2 Ų | 62.2 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 129.7 | 175.8 | -68.8 | -83.1 | 0 | 0 | 0 | 110.6 | V277 M279 L350 H358 G361 S362 I364 | V277-F373 HydrophobicContact CG1-CD1 4.02Å; V277-F373 HydrophobicContact CG1-CE1 3.92Å; M279-F373 HydrophobicContact CG-CD1 4.18Å; M279-F373 HydrophobicContact CG-CE1 4.5Å; M279-F373 HydrophobicContact SD-CD1 4.38Å; M279-F373 HydrophobicContact SD-CE1 4.14Å; L350-F373 HydrophobicContact CD1-CE2 3.54Å; L350-F373 HydrophobicContact CD1-CZ 3.47Å; L350-F373 VanDerWaalsContact CD1-CZ 3.47Å; H358-F373 HydrophobicContact CB-CD1 4.23Å; H358-F373 HydrophobicContact CB-CD2 3.39Å; H358-F373 HydrophobicContact CB-CE1 4.3Å; H358-F373 HydrophobicContact CB-CE2 3.45Å; H358-F373 VanDerWaalsContact CB-CE2 3.45Å; H358-F373 HydrophobicContact CB-CG 3.79Å; H358-F373 HydrophobicContact CB-CZ 3.93Å; H358-F373 AromaticContact CD2-CE2 3.64Å; H358-F373 AromaticContact CD2-CZ 3.41Å; H358-F373 VanDerWaalsContact CD2-CZ 3.41Å; H358-F373 WeakPolarHBondContact CD2-CZ 3.38Å; H358-F373 AromaticContact CE1-CE2 3.98Å; H358-F373 AromaticContact CG-CD2 3.74Å; H358-F373 AromaticContact CG-CE2 3.21Å; H358-F373 AromaticContact CG-CZ 3.53Å; H358-F373 AromaticContact ND1-CE2 3.49Å; H358-F373 WeakPolarHBondContact ND1-CE2 3.41Å; H358-F373 AromaticContact NE2-CZ 3.87Å; G361-F373 WeakPolarHBondContact CA-O 3.46Å; G361-F373 PolarHBondContact N-O 3.12Å; S362-F373 PolarHBondContact O-N 3.3Å; I364-F373 HydrophobicContact CD1-CD2 3.76Å; I364-F373 HydrophobicContact CD1-CE2 3.53Å; I364-F373 HydrophobicContact CD1-CZ 4.13Å; I364-F373 HydrophobicContact CG1-CD2 3.94Å; I364-F373 HydrophobicContact CG1-CE2 3.73Å |
| 374 | S | 90 | Very high | 86.2 | Confident | 48 Ų | 48 | 64.4 Ų | 64.4 | 34% | 0.336 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -56.9 | 173.5 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | T278 K360 | T278-S374 PolarHBondContact O-N 2.88Å; K360-S374 WeakPolarHBondContact CB-O 3.41Å; K360-S374 WeakPolarHBondContact CG-O 3.45Å |
| 375 | S | 85.8 | Confident | 86.2 | Confident | 44 Ų | 44 | 64.6 Ų | 64.6 | 31% | 0.308 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 161.6 | -178.9 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | T278 | T278-S375 WeakPolarHBondContact CB-O 3.39Å; T278-S375 WeakPolarHBondContact CB-OG 3.33Å; T278-S375 PolarHBondContact N-O 3.48Å; T278-S375 PolarHBondContact O-N 3.49Å; T278-S375 PolarHBondContact OG1-OG 3.48Å; T278-S375 VanDerWaalsContact OG1-OG 3.1Å |
| 376 | M | 88.3 | Confident | 86.5 | Confident | 40 Ų | 40 | 65.4 Ų | 65.4 | 20% | 0.197 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 136.1 | 170.9 | -68.8 | 177.3 | -80 | 0 | 0 | 109.3 | V275 Q276 V277 E355 H358 A379 | V275-M376 HydrophobicContact CG1-CB 4.32Å; Q276-M376 CarbonylContact O-C 3.54Å; Q276-M376 VanDerWaalsContact O-CA 3.3Å; Q276-M376 WeakPolarHBondContact O-CA 3.25Å; V277-M376 HydrophobicContact CB-CG 4.48Å; V277-M376 HydrophobicContact CG1-CG 4.15Å; V277-M376 HydrophobicContact CG2-CG 4.33Å; E355-M376 VanDerWaalsContact C-SD 3.51Å; E355-M376 HydrophobicContact CB-SD 3.9Å; E355-M376 VanDerWaalsContact O-CE 3.23Å; E355-M376 WeakPolarHBondContact O-CE 3.45Å; H358-M376 HydrophobicContact CB-CE 4.45Å; H358-M376 WeakPolarHBondContact O-CE 3.31Å; M376-A379 HydrophobicContact CB-CB 3.9Å |
| 377 | E | 88.5 | Confident | 86.7 | Confident | 141 Ų | 141 | 66.4 Ų | 66.4 | 66% | 0.659 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 135.7 | -178.8 | -169.2 | 177 | 162.7 | 0 | 0 | 110.3 | V275 Q276 A379 | V275-E377 WeakPolarHBondContact CG1-O 3.4Å; Q276-E377 HydrophobicContact CB-CB 4.33Å; Q276-E377 PolarHBondContact N-O 3.27Å; Q276-E377 PolarHBondContact O-N 2.67Å; E377-A379 PolarHBondContact O-N 2.83Å |
| 378 | G | 82.8 | Confident | 87 | Confident | 64 Ų | 64 | 59.8 Ų | 59.8 | 66% | 0.66 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 73.9 | 0.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 379 | A | 85 | Confident | 86.9 | Confident | 24 Ų | 24 | 58.4 Ų | 58.4 | 20% | 0.198 | 33% | 0.334 | C | S | . | . | trans | -68.2 | 131.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V275 E355 M376 E377 | V275-A379 HydrophobicContact CG1-CB 3.76Å; V275-A379 HydrophobicContact CG2-CB 4.32Å; E355-A379 HydrophobicContact CB-CB 4.46Å; M376-A379 HydrophobicContact CB-CB 3.9Å; E377-A379 PolarHBondContact O-N 2.83Å | ||
| 380 | T | 83.2 | Confident | 86 | Confident | 96 Ų | 96 | 61 Ų | 61 | 59% | 0.589 | 36% | 0.361 | S | S | * | . | trans | -120.8 | 141.6 | 172.2 | 46.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 381 | P | 86.5 | Confident | 84.4 | Confident | 42 Ų | 42 | 62.9 Ų | 62.9 | 27% | 0.273 | 37% | 0.374 | S | S | . | . | trans | -63.9 | 135.8 | 174.4 | 27.6 | -34.5 | 0 | 0 | 0 | 110.1 | Y356 C385 I386 M389 | Y356-P381 HydrophobicContact CD1-CB 3.69Å; Y356-P381 HydrophobicContact CE1-CB 3.99Å; Y356-P381 HydrophobicContact CG-CB 4.07Å; P381-C385 HydrophobicContact CB-CB 4.06Å; P381-I386 HydrophobicContact CB-CG1 3.93Å; P381-I386 HydrophobicContact CG-CD1 4.49Å; P381-I386 HydrophobicContact CG-CG1 4.02Å; P381-M389 HydrophobicContact CB-CE 3.75Å; P381-M389 HydrophobicContact CG-CE 4.05Å | ||
| 382 | C | 87.6 | Confident | 82.3 | Confident | 26 Ų | 26 | 69.2 Ų | 69.2 | 18% | 0.176 | 41% | 0.408 | C | S | . | . | trans | -81.6 | 165.1 | 168.2 | 70.2 | 0 | 0 | 0 | 0 | 110.8 | C353 C354 K384 C385 I386 | C353-C382 PolarHBondContact O-SG 2.99Å; C353-C382 VanDerWaalsContact O-SG 3.34Å; C354-C382 HydrophobicContact CB-CB 3.86Å; C354-C382 VanDerWaalsContact SG-SG 3.62Å; C382-K384 PolarHBondContact O-N 3.3Å; C382-K384 VanDerWaalsContact O-N 3.1Å; C382-C385 CarbonylContact O-C 3.55Å; C382-C385 WeakPolarHBondContact O-CA 3.16Å; C382-C385 WeakPolarHBondContact O-CB 3.43Å; C382-C385 PolarHBondContact O-N 3.09Å; C382-I386 WeakPolarHBondContact O-CG1 3.37Å; C382-I386 PolarHBondContact O-N 2.87Å | ||
| 383 | Y | 86.1 | Confident | 80.2 | Confident | 179 Ų | 179 | 78.4 Ų | 78.4 | 70% | 0.702 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -47.2 | -43.8 | -179.1 | -175.7 | -100.7 | 0 | 0 | 0 | 113.8 | C385 I386 V387 | Y383-C385 VanDerWaalsContact C-N 3.28Å; Y383-C385 PolarHBondContact O-N 3.03Å; Y383-I386 WeakPolarHBondContact O-CB 3.33Å; Y383-I386 PolarHBondContact O-N 3.15Å; Y383-I386 VanDerWaalsContact O-N 3.07Å; Y383-V387 HydrophobicContact CD1-CG2 4.22Å; Y383-V387 HydrophobicContact CE1-CG2 3.75Å; Y383-V387 HydrophobicContact CE2-CG2 4.08Å; Y383-V387 PolarHBondContact O-N 3.47Å |
| 384 | K | 87.6 | Confident | 77.9 | Confident | 158 Ų | 158 | 85.4 Ų | 85.4 | 69% | 0.687 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.8 | -31.1 | 176.7 | -64.7 | -161.1 | 174.7 | -161.3 | 0 | 113.9 | C382 A388 | C382-K384 PolarHBondContact O-N 3.3Å; C382-K384 VanDerWaalsContact O-N 3.1Å; K384-A388 VanDerWaalsContact O-CB 3.23Å; K384-A388 WeakPolarHBondContact O-CB 3.23Å; K384-A388 PolarHBondContact O-N 3.44Å |
| 385 | C | 87.4 | Confident | 75.6 | Confident | 12 Ų | 12 | 88.9 Ų | 88.9 | 8% | 0.081 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -82.5 | -29.7 | 172.4 | -70.4 | 0 | 0 | 0 | 0 | 112.7 | C353 C354 P381 C382 Y383 M389 | C353-C385 PolarHBondContact SG-SG 2.93Å; C354-C385 PolarHBondContact SG-SG 3.37Å; P381-C385 HydrophobicContact CB-CB 4.06Å; C382-C385 CarbonylContact O-C 3.55Å; C382-C385 WeakPolarHBondContact O-CA 3.16Å; C382-C385 WeakPolarHBondContact O-CB 3.43Å; C382-C385 PolarHBondContact O-N 3.09Å; Y383-C385 VanDerWaalsContact C-N 3.28Å; Y383-C385 PolarHBondContact O-N 3.03Å; C385-M389 WeakPolarHBondContact O-CB 3.41Å; C385-M389 WeakPolarHBondContact O-CE 3.44Å; C385-M389 WeakPolarHBondContact O-CG 3.48Å; C385-M389 PolarHBondContact O-N 3.19Å; C385-M389 VanDerWaalsContact O-N 3.07Å |
| 386 | I | 87.1 | Confident | 73.6 | Confident | 65 Ų | 65 | 94.3 Ų | 94.3 | 33% | 0.333 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.9 | -51.5 | 175.4 | -65.9 | 173.8 | 0 | 0 | 0 | 109.4 | P381 C382 Y383 M389 V391 | P381-I386 HydrophobicContact CB-CG1 3.93Å; P381-I386 HydrophobicContact CG-CD1 4.49Å; P381-I386 HydrophobicContact CG-CG1 4.02Å; C382-I386 WeakPolarHBondContact O-CG1 3.37Å; C382-I386 PolarHBondContact O-N 2.87Å; Y383-I386 WeakPolarHBondContact O-CB 3.33Å; Y383-I386 PolarHBondContact O-N 3.15Å; Y383-I386 VanDerWaalsContact O-N 3.07Å; I386-M389 PolarHBondContact O-N 3.48Å; I386-V391 HydrophobicContact CB-CG2 4.41Å; I386-V391 HydrophobicContact CG2-CG2 3.63Å; I386-V391 WeakPolarHBondContact O-CG2 3.4Å |
| 387 | V | 87.7 | Confident | 71.5 | Confident | 64 Ų | 64 | 97.4 Ų | 97.4 | 39% | 0.388 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.3 | -48.5 | 175.5 | 177.8 | 0 | 0 | 0 | 0 | 111 | Y383 M389 G390 | Y383-V387 HydrophobicContact CD1-CG2 4.22Å; Y383-V387 HydrophobicContact CE1-CG2 3.75Å; Y383-V387 HydrophobicContact CE2-CG2 4.08Å; Y383-V387 PolarHBondContact O-N 3.47Å; V387-M389 PolarHBondContact O-N 3.34Å; V387-G390 PolarHBondContact O-N 2.97Å |
| 388 | A | 84.3 | Confident | 69.3 | Low | 88 Ų | 88 | 96.2 Ų | 96.2 | 73% | 0.727 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -5.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | K384 | K384-A388 VanDerWaalsContact O-CB 3.23Å; K384-A388 WeakPolarHBondContact O-CB 3.23Å; K384-A388 PolarHBondContact O-N 3.44Å |
| 389 | M | 77.4 | Confident | 67.5 | Low | 85 Ų | 85 | 98.9 Ų | 98.9 | 42% | 0.419 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.4 | 1.2 | 169.9 | -77.7 | -174.9 | -57.1 | 0 | 0 | 112.9 | Y356 P381 C385 I386 V387 V391 | Y356-M389 HydrophobicContact CE1-CE 4.03Å; Y356-M389 HydrophobicContact CE1-SD 3.65Å; P381-M389 HydrophobicContact CB-CE 3.75Å; P381-M389 HydrophobicContact CG-CE 4.05Å; C385-M389 WeakPolarHBondContact O-CB 3.41Å; C385-M389 WeakPolarHBondContact O-CE 3.44Å; C385-M389 WeakPolarHBondContact O-CG 3.48Å; C385-M389 PolarHBondContact O-N 3.19Å; C385-M389 VanDerWaalsContact O-N 3.07Å; I386-M389 PolarHBondContact O-N 3.48Å; V387-M389 PolarHBondContact O-N 3.34Å; M389-V391 HydrophobicContact CB-CG1 4.4Å; M389-V391 HydrophobicContact CB-CG2 4.25Å; M389-V391 PolarHBondContact O-N 3.16Å |
| 390 | G | 67.6 | Low | 65.3 | Low | 60 Ų | 60 | 107.3 Ų | 107.3 | 62% | 0.619 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.5 | 21 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V387 D392 | V387-G390 PolarHBondContact O-N 2.97Å; G390-D392 PolarHBondContact O-N 3.08Å |
| 391 | V | 56.6 | Low | 63.1 | Low | 77 Ų | 77 | 111.9 Ų | 111.9 | 47% | 0.467 | 61% | 0.607 | S | S | . | * | trans | -86 | 50.6 | -178.9 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | I386 M389 K393 | I386-V391 HydrophobicContact CB-CG2 4.41Å; I386-V391 HydrophobicContact CG2-CG2 3.63Å; I386-V391 WeakPolarHBondContact O-CG2 3.4Å; M389-V391 HydrophobicContact CB-CG1 4.4Å; M389-V391 HydrophobicContact CB-CG2 4.25Å; M389-V391 PolarHBondContact O-N 3.16Å; V391-K393 PolarHBondContact O-N 2.95Å | ||
| 392 | D | 46.8 | Very low | 60.7 | Low | 132 Ų | 132 | 116.1 Ų | 116.1 | 71% | 0.706 | 63% | 0.632 | S | S | * | * | trans | -74.8 | 44.4 | 170.7 | -70.1 | -51.2 | 0 | 0 | 0 | 112.5 | G390 | G390-D392 PolarHBondContact O-N 3.08Š| ||
| 393 | K | 47.7 | Very low | 58 | Low | 195 Ų | 195 | 122.2 Ų | 122.2 | 85% | 0.848 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -101.4 | 91.1 | 159 | -64.7 | -167.8 | 179.9 | -173.9 | 0 | 106.5 | V391 | V391-K393 PolarHBondContact O-N 2.95Š|
| 394 | L | 42.3 | Very low | 55.3 | Low | 154 Ų | 154 | 116.6 Ų | 116.6 | 81% | 0.806 | 66% | 0.659 | S | S | * | * | trans | -33.1 | 124.7 | 178.3 | -70.3 | 163.9 | 0 | 0 | 0 | 111.3 | I396 | L394-I396 PolarHBondContact O-N 3.15Š| ||
| 395 | P | 42.1 | Very low | 52.4 | Low | 121 Ų | 121 | 116.5 Ų | 116.5 | 79% | 0.786 | 67% | 0.666 | S | S | * | * | trans | -61.7 | 112.1 | 174.4 | 25.6 | -32.5 | 0 | 0 | 0 | 108.2 | P397 | P395-P397 VanDerWaalsContact O-N 3.09Š| ||
| 396 | I | 42.9 | Very low | 49.8 | Very low | 158 Ų | 158 | 123.2 Ų | 123.2 | 81% | 0.81 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 119.3 | -175.6 | -60.9 | 172.2 | 0 | 0 | 0 | 108.1 | L394 | L394-I396 PolarHBondContact O-N 3.15Š|
| 397 | P | 43.8 | Very low | 47.1 | Very low | 105 Ų | 105 | 125 Ų | 125 | 68% | 0.682 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 135.1 | -175.8 | 23.7 | -33 | 0 | 0 | 0 | 109.1 | P395 | P395-P397 VanDerWaalsContact O-N 3.09Š|
| 398 | P | 43.8 | Very low | 44.4 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -58 | 134.5 | -174.8 | 23.3 | -33.7 | 0 | 0 | 0 | 110 | K400 | P398-K400 PolarHBondContact O-N 3.14Š|
| 399 | P | 44.1 | Very low | 41.9 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 133.1 | -169.3 | 20.9 | -32.7 | 0 | 0 | 0 | 111.3 | K401 | P399-K401 PolarHBondContact O-N 3.09Š|
| 400 | K | 38.8 | Very low | 39.6 | Very low | 202 Ų | 202 | 139.9 Ų | 139.9 | 88% | 0.878 | 76% | 0.76 | S | S | * | * | trans | -55.4 | 112.1 | -179.8 | -69.2 | 179.7 | -179.7 | 175.8 | 0 | 109.3 | P398 V402 | P398-K400 PolarHBondContact O-N 3.14Å; K400-V402 PolarHBondContact O-N 2.74Å | ||
| 401 | K | 38.2 | Very low | 37.8 | Very low | 192 Ų | 192 | 144.9 Ų | 144.9 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -71 | 93.4 | 176.9 | -70 | -170 | 177.5 | -173.8 | 0 | 110.2 | P399 N403 | P399-K401 PolarHBondContact O-N 3.09Å; K401-N403 VanDerWaalsContact C-N 3.29Å; K401-N403 PolarHBondContact O-N 2.66Å | ||
| 402 | V | 36.1 | Very low | 36.5 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | trans | -72.6 | 89.6 | 163.2 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | K400 | K400-V402 PolarHBondContact O-N 2.74Š| ||
| 403 | N | 30.2 | Very low | 35.6 | Very low | 154 Ų | 154 | 145 Ų | 145 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -77.1 | 116.3 | 146.3 | -54 | -27.1 | 0 | 0 | 0 | 104.9 | K401 | K401-N403 VanDerWaalsContact C-N 3.29Å; K401-N403 PolarHBondContact O-N 2.66Å | ||
| 404 | G | 28.6 | Very low | 34.6 | Very low | 62 Ų | 62 | 142 Ų | 142 | 64% | 0.639 | 79% | 0.786 | S | S | * | * | cis | 125.5 | 140.5 | 3.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 405 | D | 27.1 | Very low | 33.9 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -145 | 161.7 | 174 | -137.6 | -33.3 | 0 | 0 | 0 | 112.2 | ||||
| 406 | L | 33.4 | Very low | 33.4 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | trans | -96.1 | 152.8 | -161 | -61 | 88.1 | 0 | 0 | 0 | 113.4 | ||||
| 407 | S | 29.1 | Very low | 32.8 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | -177.2 | 142 | 111.2 | 49 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 408 | L | 31.3 | Very low | 31.8 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | 66.2 | 152.6 | 156 | -62.4 | 158 | 0 | 0 | 0 | 116.7 | ||||
| 409 | R | 31.6 | Very low | 31.1 | Very low | 222 Ų | 222 | 143.1 Ų | 143.1 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | cis | -146.3 | 127.3 | 4.4 | -158.6 | 167.1 | 177.2 | 172.5 | -2.5 | 111.9 | ||||
| 410 | K | 29.8 | Very low | 30.4 | Very low | 168 Ų | 168 | 143.5 Ų | 143.5 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | trans | 14.9 | 146.3 | 148.1 | -97.5 | -179.5 | 172.5 | -177.2 | 0 | 122 | ||||
| 411 | Q | 30.5 | Very low | 29.8 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | trans | 78.7 | 144.3 | 148.1 | -70.2 | 158.8 | -47.1 | 0 | 0 | 116.7 | ||||
| 412 | S | 28.9 | Very low | 29.6 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | cis | -157.2 | 161.6 | -6 | 34.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 413 | A | 28.2 | Very low | 29.2 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | trans | -103.9 | 138.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 414 | T | 26.4 | Very low | 29.1 | Very low | 134 Ų | 134 | 141.3 Ų | 141.3 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | -172.5 | 122.9 | 157.4 | 13.8 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 415 | S | 27 | Very low | 28.9 | Very low | 99 Ų | 99 | 144.8 Ų | 144.8 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | cis | 91.5 | 97.6 | 37.3 | -168.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 416 | L | 32.2 | Very low | 29.1 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | 56.9 | 121.1 | 150.3 | -54.6 | 173.1 | 0 | 0 | 0 | 119.2 | ||||
| 417 | K | 28.6 | Very low | 28.8 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 73% | 0.726 | 76% | 0.757 | S | S | * | * | -175.6 | 141 | 98.3 | -97.2 | -170.4 | 159.5 | -69.3 | 0 | 112.6 | |||||
| 418 | D | 24 | Very low | 28.9 | Very low | 99 Ų | 99 | 144.3 Ų | 144.3 | 53% | 0.529 | 76% | 0.762 | S | S | . | * | 50.7 | 147.4 | 127.8 | -46.7 | -1 | 0 | 0 | 0 | 121 | |||||
| 419 | E | 29.9 | Very low | 28.8 | Very low | 152 Ų | 152 | 144.4 Ų | 144.4 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | cis | -164 | 172 | -3.1 | -120.9 | 166.2 | -160.5 | 0 | 0 | 111.2 | ||||
| 420 | N | 28.5 | Very low | 28.7 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 68% | 0.684 | 75% | 0.753 | S | S | * | * | trans | 71.1 | 127.4 | 166.3 | -52.1 | -33 | 0 | 0 | 0 | 116.7 | ||||
| 421 | E | 26.3 | Very low | 28.6 | Very low | 177 Ų | 177 | 135.5 Ų | 135.5 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | cis | 98.8 | 149.1 | 35.9 | -76.3 | -165.1 | 170.1 | 0 | 0 | 114 | ||||
| 422 | M | 33.4 | Very low | 28.4 | Very low | 184 Ų | 184 | 134.3 Ų | 134.3 | 91% | 0.906 | 76% | 0.755 | S | S | * | * | trans | 78.8 | 99.2 | -165.3 | -52.9 | -168.5 | -172.3 | 0 | 0 | 112.6 | ||||
| 423 | E | 27.7 | Very low | 28.5 | Very low | 183 Ų | 183 | 134.5 Ų | 134.5 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | cis | 74.1 | 146.7 | 29.1 | -82.5 | -70 | -175.7 | 0 | 0 | 116.9 | ||||
| 424 | A | 27.9 | Very low | 28.5 | Very low | 87 Ų | 87 | 138.6 Ų | 138.6 | 72% | 0.719 | 76% | 0.756 | S | S | * | * | trans | 66.2 | 115.4 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 425 | D | 25.5 | Very low | 28.6 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | 85.4 | 113.5 | 35.5 | -169 | 26.1 | 0 | 0 | 0 | 114.8 | ||||
| 426 | T | 30.1 | Very low | 28.6 | Very low | 126 Ų | 126 | 142 Ų | 142 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | -179.4 | 110.2 | 138 | 18.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 427 | T | 27.7 | Very low | 28.4 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 61% | 0.607 | 75% | 0.748 | S | S | * | * | trans | 28.4 | 133.1 | 131.5 | 51.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 428 | E | 32.4 | Very low | 28.3 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | 77.2 | 145 | 141.4 | -64.8 | 167.5 | -150.1 | 0 | 0 | 119.3 | ||||
| 429 | E | 29.3 | Very low | 28.4 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | cis | -161.2 | 157.5 | -10.2 | -109.5 | -98.3 | 100.8 | 0 | 0 | 110.6 | ||||
| 430 | V | 28.8 | Very low | 28.2 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 70.9 | 140.3 | 149.8 | 164 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 431 | A | 27.8 | Very low | 28 | Very low | 83 Ų | 83 | 150.1 Ų | 150.1 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | trans | 84.9 | 95 | 153.5 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 432 | V | 25.8 | Very low | 28.1 | Very low | 141 Ų | 141 | 146.5 Ų | 146.5 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | 45.2 | 112.1 | 119.5 | -176.3 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 433 | S | 31.4 | Very low | 28.2 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | -159.4 | 177.2 | 105.5 | -157.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 434 | K | 28 | Very low | 28.2 | Very low | 183 Ų | 183 | 142.9 Ų | 142.9 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | -109 | 179.8 | -174.5 | -62.4 | 179.1 | -179.4 | 179 | 0 | 112.3 | ||||
| 435 | Q | 28.8 | Very low | 28.1 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 77% | 0.771 | 76% | 0.758 | S | S | * | * | trans | 77.3 | 147.7 | 161.9 | -58.6 | -170.2 | -92.9 | 0 | 0 | 115 | ||||
| 436 | E | 27.4 | Very low | 28.1 | Very low | 139 Ų | 139 | 146.8 Ų | 146.8 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | cis | -170.3 | 132.6 | -30.4 | -116.6 | 170.6 | 136.8 | 0 | 0 | 103.9 | ||||
| 437 | Y | 27.2 | Very low | 28 | Very low | 192 Ų | 192 | 146.5 Ų | 146.5 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | trans | -1.8 | 130.6 | 159.9 | 90.7 | -73.4 | 0 | 0 | 0 | 121.2 | ||||
| 438 | E | 26.4 | Very low | 28 | Very low | 146 Ų | 146 | 148.9 Ų | 148.9 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | 29.3 | 156.9 | 109.7 | -79.9 | -172.3 | 142.1 | 0 | 0 | 121.1 | |||||
| 439 | S | 25.6 | Very low | 27.8 | Very low | 94 Ų | 94 | 144.1 Ų | 144.1 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | cis | -147.5 | 170.6 | -2.8 | -161.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 440 | Y | 26.5 | Very low | 27.8 | Very low | 201 Ų | 201 | 143.9 Ų | 143.9 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 159.4 | -162.3 | -43.4 | -77 | 0 | 0 | 0 | 114.6 | ||
| 441 | R | 25.2 | Very low | 27.9 | Very low | 243 Ų | 243 | 144.9 Ų | 144.9 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 149.5 | -180 | -172.9 | -178.4 | -170.3 | 161.2 | 0.7 | 112.2 | ||
| 442 | S | 28.2 | Very low | 28.1 | Very low | 101 Ų | 101 | 148.3 Ų | 148.3 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -57 | 165.2 | 171.6 | -39.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 443 | P | 34.7 | Very low | 28.2 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | -129.1 | 147.7 | 122.1 | 36.4 | -30.4 | 0 | 0 | 0 | 114.1 | |||||
| 444 | E | 27.7 | Very low | 28 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | -89.5 | 167.3 | 169.6 | -58.2 | 142.1 | 137.5 | 0 | 0 | 110.5 | ||||
| 445 | M | 26.5 | Very low | 28.1 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 84% | 0.837 | 76% | 0.755 | S | S | * | * | trans | -161.3 | 115.4 | 146.1 | -76.7 | -47.6 | 155 | 0 | 0 | 111.3 | ||||
| 446 | D | 24.3 | Very low | 28.1 | Very low | 134 Ų | 134 | 142 Ų | 142 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | trans | 32 | 113.7 | 131.1 | -63.6 | -10.2 | 0 | 0 | 0 | 120.4 | ||||
| 447 | T | 28.1 | Very low | 28.3 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | 91.8 | 117.8 | 57.1 | 61 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 448 | T | 27.2 | Very low | 28.5 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 91% | 0.914 | 76% | 0.761 | S | S | * | * | trans | 169.2 | 158.5 | 152.3 | 30 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 449 | A | 28.4 | Very low | 28.6 | Very low | 75 Ų | 75 | 139.1 Ų | 139.1 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | cis | -174.9 | 142.8 | -38.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 450 | I | 30.8 | Very low | 29 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | 63.3 | 145.1 | 151.4 | -64.6 | 167 | 0 | 0 | 0 | 117.4 | ||||
| 451 | E | 29.9 | Very low | 29.4 | Very low | 140 Ų | 140 | 141 Ų | 141 | 65% | 0.654 | 78% | 0.78 | S | S | * | * | cis | -167.6 | 155 | -24 | -102.1 | -162.7 | 109.4 | 0 | 0 | 108.3 | ||||
| 452 | Q | 31.8 | Very low | 29.8 | Very low | 156 Ų | 156 | 137 Ų | 137 | 73% | 0.729 | 78% | 0.777 | S | S | * | * | trans | 57.2 | 159.4 | 150 | -64.5 | 178.6 | 39.8 | 0 | 0 | 120.1 | ||||
| 453 | T | 28.1 | Very low | 29.8 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | cis | -97 | -116.2 | -0.7 | 49.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 454 | A | 27.2 | Very low | 29.7 | Very low | 91 Ų | 91 | 137.8 Ų | 137.8 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | cis | -150.8 | 172.2 | 2.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 455 | S | 29.5 | Very low | 30.2 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -153.1 | 138.4 | -163.2 | 55.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 456 | V | 29.9 | Very low | 30.8 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -149 | 133.4 | 136.8 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 457 | E | 32.1 | Very low | 31.2 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -24.4 | 160.1 | 160 | -76.2 | 150.7 | -165.8 | 0 | 0 | 119.9 | ||||
| 458 | S | 29.7 | Very low | 31.4 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | cis | -170.6 | 160.2 | -6.3 | 54 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 459 | N | 29.3 | Very low | 31.6 | Very low | 151 Ų | 151 | 134.6 Ų | 134.6 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | trans | 62.3 | 119.2 | 147.7 | -60.1 | -17.3 | 0 | 0 | 0 | 122 | ||||
| 460 | I | 33.7 | Very low | 32 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | -155.8 | 161.5 | 124.5 | -103 | 161.4 | 0 | 0 | 0 | 108.4 | |||||
| 461 | I | 35.8 | Very low | 32.5 | Very low | 163 Ų | 163 | 142 Ų | 142 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -97.1 | 158.4 | -153.3 | -67.5 | 168.4 | 0 | 0 | 0 | 114.5 | ||||
| 462 | N | 32.8 | Very low | 33 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -77.7 | 156.8 | -177.1 | -63.3 | -46.8 | 0 | 0 | 0 | 115.6 | ||||
| 463 | G | 27.4 | Very low | 33.5 | Very low | 75 Ų | 75 | 143.3 Ų | 143.3 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | 94.8 | 147.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 464 | I | 34.1 | Very low | 34.4 | Very low | 164 Ų | 164 | 145.9 Ų | 145.9 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | cis | -130.1 | 153.1 | 17.5 | -71 | 166.1 | 0 | 0 | 0 | 110.7 | ||||
| 465 | V | 38.3 | Very low | 35.2 | Very low | 129 Ų | 129 | 150.7 Ų | 150.7 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | -98.5 | 122 | 176.7 | 175.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 466 | P | 38.3 | Very low | 36 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -88.3 | 120.8 | 157.4 | -5.5 | 25 | 0 | 0 | 0 | 110 | T468 | P466-T468 PolarHBondContact O-N 2.81Š| ||
| 467 | K | 33.2 | Very low | 36.3 | Very low | 183 Ų | 183 | 150.7 Ų | 150.7 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | trans | -89.7 | 96.6 | 180 | -173.6 | 178.9 | -179.8 | -179.8 | 0 | 109.9 | N469 | K467-N469 PolarHBondContact O-N 3.38Š| ||
| 468 | T | 32 | Very low | 36.5 | Very low | 117 Ų | 117 | 149.8 Ų | 149.8 | 72% | 0.718 | 80% | 0.798 | S | S | * | * | trans | -74.8 | 103.5 | 177.8 | 52.1 | 0 | 0 | 0 | 0 | 111.2 | P466 Y470 | P466-T468 PolarHBondContact O-N 2.81Å; T468-Y470 PolarHBondContact O-N 2.86Å | ||
| 469 | N | 31.9 | Very low | 36.9 | Very low | 134 Ų | 134 | 154.6 Ų | 154.6 | 72% | 0.717 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 118.7 | 161.4 | -73.2 | 1.3 | 0 | 0 | 0 | 108.5 | K467 | K467-N469 PolarHBondContact O-N 3.38Š|
| 470 | Y | 35.6 | Very low | 37.1 | Very low | 216 Ų | 216 | 152.2 Ų | 152.2 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 125 | 156 | -92.6 | -110 | 0 | 0 | 0 | 107.5 | T468 | T468-Y470 PolarHBondContact O-N 2.86Š|
| 471 | E | 41.6 | Very low | 37 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 131.6 | 155 | -74.4 | -164.5 | 167.7 | 0 | 0 | 108.2 | ||
| 472 | E | 40.3 | Very low | 36.9 | Very low | 190 Ų | 190 | 149 Ų | 149 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | -82.6 | 110.9 | 173.1 | -58.8 | 170 | 134.2 | 0 | 0 | 107.8 | ||||
| 473 | D | 43 | Very low | 37 | Very low | 133 Ų | 133 | 149.1 Ų | 149.1 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -101 | 126.4 | 166.3 | -123.1 | -11.3 | 0 | 0 | 0 | 108.5 | R41 | R41-D473 IonicContact NH1-OD1 3.48Å; R41-D473 IonicContact NH1-OD2 3.94Å; R41-D473 IonicContact NH2-OD1 3.78Å | ||
| 474 | F | 46.8 | Very low | 37.3 | Very low | 185 Ų | 185 | 154.3 Ų | 154.3 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -89.6 | 126.1 | -162.2 | -148.4 | -93.9 | 0 | 0 | 0 | 110.5 | A476 | F474-A476 PolarHBondContact O-N 3.48Š| ||
| 475 | E | 43.3 | Very low | 37.2 | Very low | 191 Ų | 191 | 153.2 Ų | 153.2 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -69.4 | 112.7 | 166 | -71.3 | -160.8 | 170.6 | 0 | 0 | 108.7 | ||||
| 476 | A | 46.1 | Very low | 36.8 | Very low | 88 Ų | 88 | 153.3 Ų | 153.3 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -94.2 | 135.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | F474 | F474-A476 PolarHBondContact O-N 3.48Š| ||
| 477 | D | 38.1 | Very low | 36.8 | Very low | 165 Ų | 165 | 153.8 Ų | 153.8 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -56.5 | 151.4 | -174.3 | -60.5 | -76.3 | 0 | 0 | 0 | 114.5 | ||||
| 478 | N | 34.9 | Very low | 36.7 | Very low | 160 Ų | 160 | 153.8 Ų | 153.8 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | -142.5 | 74.9 | 174.4 | -177.4 | 56.4 | 0 | 0 | 0 | 111.4 | ||||
| 479 | E | 39.1 | Very low | 36.5 | Very low | 188 Ų | 188 | 157 Ų | 157 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -121.7 | 133.6 | 164.1 | -74.1 | -149.7 | 149.7 | 0 | 0 | 112.6 | ||||
| 480 | S | 32.1 | Very low | 36.3 | Very low | 100 Ų | 100 | 160 Ų | 160 | 70% | 0.699 | 82% | 0.824 | S | S | * | * | trans | 61.6 | 111.6 | 145.2 | -153.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 481 | S | 33.2 | Very low | 36 | Very low | 108 Ų | 108 | 158.2 Ų | 158.2 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | trans | 52.1 | 170.3 | 131.7 | 73.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 482 | M | 33.2 | Very low | 35.4 | Very low | 159 Ų | 159 | 155.5 Ų | 155.5 | 78% | 0.783 | 82% | 0.821 | S | S | * | * | cis | -141 | 179.8 | 7.7 | -172.9 | 164.4 | 167.3 | 0 | 0 | 111.2 | ||||
| 483 | E | 34.7 | Very low | 34.8 | Very low | 163 Ų | 163 | 154.4 Ų | 154.4 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | trans | -54.9 | 163.4 | -178.9 | -60.5 | 166.3 | 131.2 | 0 | 0 | 117.1 | ||||
| 484 | E | 34.2 | Very low | 34.3 | Very low | 184 Ų | 184 | 156.1 Ų | 156.1 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -72.4 | 128.3 | 177.8 | 174.9 | 177.2 | -156.7 | 0 | 0 | 113.1 | ||||
| 485 | T | 31.3 | Very low | 33.4 | Very low | 140 Ų | 140 | 156.6 Ų | 156.6 | 86% | 0.859 | 83% | 0.828 | S | S | * | * | trans | -142.6 | 156.8 | 160.7 | 38.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 486 | T | 30.1 | Very low | 32.6 | Very low | 131 Ų | 131 | 150.5 Ų | 150.5 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 167.2 | -161.9 | 37.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 487 | P | 38.1 | Very low | 31.9 | Very low | 124 Ų | 124 | 155.4 Ų | 155.4 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 173.8 | -152.1 | 34.2 | -37.8 | 0 | 0 | 0 | 117.1 | ||
| 488 | Q | 30.4 | Very low | 31.4 | Very low | 182 Ų | 182 | 156.2 Ų | 156.2 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 163 | 162.9 | -74.3 | 178.1 | -55.1 | 0 | 0 | 112.5 | ||
| 489 | E | 29 | Very low | 31.1 | Very low | 186 Ų | 186 | 152.8 Ų | 152.8 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | cis | -146.4 | 155 | 43.9 | -58.7 | 177.9 | 150 | 0 | 0 | 115.3 | ||||
| 490 | M | 28.1 | Very low | 30.6 | Very low | 195 Ų | 195 | 153.2 Ų | 153.2 | 96% | 0.961 | 82% | 0.818 | S | S | * | * | trans | -129.5 | 141.7 | 150.4 | -82.3 | -161.2 | 173.6 | 0 | 0 | 110.7 | ||||
| 491 | K | 27.8 | Very low | 30.4 | Very low | 180 Ų | 180 | 153 Ų | 153 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | trans | -87.2 | 135.2 | -163.6 | -176.7 | 178.1 | -178 | 177.5 | 0 | 112 | ||||
| 492 | S | 28.8 | Very low | 30 | Very low | 114 Ų | 114 | 154 Ų | 154 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | trans | -115.4 | 131.1 | 164.6 | 59.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 493 | Q | 28.6 | Very low | 29.7 | Very low | 166 Ų | 166 | 157.7 Ų | 157.7 | 78% | 0.776 | 83% | 0.833 | S | S | * | * | trans | -159.4 | 134.3 | 169.6 | -124.6 | 170.5 | -2.5 | 0 | 0 | 109 | ||||
| 494 | I | 33.4 | Very low | 29.4 | Very low | 169 Ų | 169 | 159.9 Ų | 159.9 | 87% | 0.867 | 84% | 0.836 | S | S | * | * | trans | -113.5 | 149.1 | -178.3 | -66.1 | 173.7 | 0 | 0 | 0 | 108.1 | ||||
| 495 | Q | 26.8 | Very low | 29.3 | Very low | 196 Ų | 196 | 160.7 Ų | 160.7 | 92% | 0.916 | 84% | 0.837 | S | S | * | * | trans | -74.1 | 156.5 | 177.9 | -63.1 | 155.5 | -24.2 | 0 | 0 | 110.5 | ||||
| 496 | G | 27.1 | Very low | 29.4 | Very low | 63 Ų | 63 | 162.4 Ų | 162.4 | 65% | 0.649 | 84% | 0.835 | S | S | * | * | cis | 172.9 | -172.1 | 0.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 497 | E | 30.9 | Very low | 29.3 | Very low | 191 Ų | 191 | 162.3 Ų | 162.3 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | trans | 65.8 | 146.6 | 165.1 | -65 | 161.7 | -157 | 0 | 0 | 116.7 | ||||
| 498 | E | 27.8 | Very low | 28.8 | Very low | 182 Ų | 182 | 161.8 Ų | 161.8 | 85% | 0.85 | 83% | 0.834 | S | S | * | * | cis | -158.4 | -179.9 | -15.5 | -128.1 | -174.1 | -170.5 | 0 | 0 | 111.1 | ||||
| 499 | A | 29 | Very low | 28.6 | Very low | 88 Ų | 88 | 156.6 Ų | 156.6 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | trans | 69.7 | 102 | 158.1 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 500 | E | 28.3 | Very low | 28.7 | Very low | 196 Ų | 196 | 156.3 Ų | 156.3 | 92% | 0.916 | 83% | 0.828 | S | S | * | * | 50.4 | 114.3 | 117.6 | -168.3 | 171.7 | -130.5 | 0 | 0 | 123 | |||||
| 501 | A | 27.1 | Very low | 28.6 | Very low | 97 Ų | 97 | 151.7 Ų | 151.7 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | -174.7 | 153.9 | 127.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 502 | C | 25.4 | Very low | 28.5 | Very low | 128 Ų | 128 | 149.4 Ų | 149.4 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | -110.2 | 157.7 | 177.3 | -48.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 503 | R | 27 | Very low | 28.9 | Very low | 236 Ų | 236 | 151.7 Ų | 151.7 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | 166.8 | 148.9 | 97.3 | -153 | 170.3 | -157.8 | -173.1 | 5.8 | 114 | |||||
| 504 | Y | 28.5 | Very low | 30 | Very low | 209 Ų | 209 | 149 Ų | 149 | 82% | 0.82 | 81% | 0.811 | S | S | * | * | trans | -50.9 | 154.7 | 174.9 | -68.8 | -99.5 | 0 | 0 | 0 | 117.4 | ||||
| 505 | K | 31.3 | Very low | 29.9 | Very low | 202 Ų | 202 | 145.4 Ų | 145.4 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | -160.1 | 130 | 117.8 | -110.1 | 178.4 | -177.3 | -172.1 | 0 | 113.5 | |||||
| 506 | E | 34 | Very low | 30.3 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -115.4 | 146.9 | 163.1 | -63.2 | 177.1 | 128 | 0 | 0 | 109 | ||||
| 507 | T | 28.3 | Very low | 30.7 | Very low | 130 Ų | 130 | 147.9 Ų | 147.9 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | trans | 176.3 | 147.2 | 164.3 | 30.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 508 | S | 27.6 | Very low | 31.1 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | cis | 175.6 | 150.6 | -18.1 | 48 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 509 | G | 26.3 | Very low | 31.6 | Very low | 73 Ų | 73 | 147.3 Ų | 147.3 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | 102.3 | 127 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 510 | E | 30 | Very low | 32 | Very low | 181 Ų | 181 | 154.7 Ų | 154.7 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | cis | 71.4 | 136.8 | 19.1 | -113.5 | -156.7 | 114.2 | 0 | 0 | 114.1 | ||||
| 511 | T | 27.3 | Very low | 32.5 | Very low | 97 Ų | 97 | 152.9 Ų | 152.9 | 60% | 0.595 | 80% | 0.797 | S | S | * | * | cis | -158.2 | 170.4 | 11.6 | -33.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 512 | T | 26 | Very low | 33 | Very low | 133 Ų | 133 | 155.4 Ų | 155.4 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | trans | 74.2 | 148.9 | 150.9 | 33.7 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 513 | I | 35.3 | Very low | 33.5 | Very low | 162 Ų | 162 | 155 Ų | 155 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -155.7 | 134.1 | 178.6 | -62.7 | 178.2 | 0 | 0 | 0 | 105.6 | ||||
| 514 | P | 53.4 | Low | 34 | Very low | 110 Ų | 110 | 150.4 Ų | 150.4 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | -160.6 | -151.4 | 78.9 | 45.6 | -22.3 | 0 | 0 | 0 | 116 | |||||
| 515 | S | 30.2 | Very low | 34.6 | Very low | 93 Ų | 93 | 148.4 Ų | 148.4 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | trans | 67.8 | 146.4 | 157.8 | 57.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 516 | E | 36.3 | Very low | 35 | Very low | 170 Ų | 170 | 145.8 Ų | 145.8 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | cis | -165.1 | 171 | -20.7 | -116.9 | 148.7 | -156.5 | 0 | 0 | 109.7 | ||||
| 517 | D | 35.3 | Very low | 35 | Very low | 140 Ų | 140 | 144.6 Ų | 144.6 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | 51.2 | 132.5 | 159.8 | -56.3 | -15.9 | 0 | 0 | 0 | 123.9 | ||||
| 518 | E | 37.9 | Very low | 35.3 | Very low | 181 Ų | 181 | 143.2 Ų | 143.2 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | 178.4 | 153.2 | 110.5 | -96.7 | -70.5 | 176.4 | 0 | 0 | 111.4 | |||||
| 519 | E | 38.9 | Very low | 35.6 | Very low | 181 Ų | 181 | 146.6 Ų | 146.6 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | -99.5 | 157.8 | -171.4 | -63 | -176.1 | 151.5 | 0 | 0 | 113.6 | ||||
| 520 | R | 36.6 | Very low | 36 | Very low | 243 Ų | 243 | 147.2 Ų | 147.2 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | trans | -157.4 | 115.1 | 150.9 | -161.9 | 158.8 | -173.5 | 151.6 | 3.9 | 114.4 | ||||
| 521 | E | 40 | Very low | 36.3 | Very low | 157 Ų | 157 | 147.5 Ų | 147.5 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -79.3 | 158.3 | 161.4 | -57.7 | -171.7 | 138.4 | 0 | 0 | 111.6 | ||||
| 522 | D | 36.6 | Very low | 36.3 | Very low | 151 Ų | 151 | 150.2 Ų | 150.2 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | -144.3 | 134.2 | 145.1 | -157.6 | -5.4 | 0 | 0 | 0 | 108.4 | ||||
| 523 | N | 37.3 | Very low | 36.5 | Very low | 118 Ų | 118 | 148 Ų | 148 | 63% | 0.631 | 77% | 0.77 | S | S | * | * | trans | -131 | 141.9 | -175.8 | -83.2 | -59.3 | 0 | 0 | 0 | 108.5 | ||||
| 524 | T | 36.9 | Very low | 36.3 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | trans | -147.7 | 103.6 | 164.3 | -21.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 525 | E | 40.4 | Very low | 36 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -46.2 | 167.3 | 150.4 | -63.8 | 160.1 | 179.9 | 0 | 0 | 111.6 | ||||
| 526 | E | 39.3 | Very low | 36.1 | Very low | 146 Ų | 146 | 146 Ų | 146 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | cis | -166.3 | 164.3 | -13.7 | -113.3 | -173.4 | -153.2 | 0 | 0 | 105.6 | N528 | E526-N528 PolarHBondContact OE2-ND2 2.98Š| ||
| 527 | D | 34.2 | Very low | 36.2 | Very low | 150 Ų | 150 | 147.9 Ų | 147.9 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | -164.6 | 167.3 | 125.2 | -136.7 | -30.8 | 0 | 0 | 0 | 112.4 | |||||
| 528 | N | 36 | Very low | 36.1 | Very low | 101 Ų | 101 | 149 Ų | 149 | 54% | 0.54 | 77% | 0.766 | S | S | . | * | trans | -128.5 | -175.8 | -153.1 | -71.2 | -86.7 | 0 | 0 | 0 | 115.2 | E526 | E526-N528 PolarHBondContact OE2-ND2 2.98Š| ||
| 529 | Q | 34.1 | Very low | 35.7 | Very low | 184 Ų | 184 | 147.3 Ų | 147.3 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | 80.5 | 160.1 | 160.6 | -53.6 | 172.4 | 49.6 | 0 | 0 | 117.4 | ||||
| 530 | A | 34.6 | Very low | 35.3 | Very low | 86 Ų | 86 | 143.5 Ų | 143.5 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | cis | -177.1 | 154.6 | -34.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 531 | E | 34.8 | Very low | 35.2 | Very low | 186 Ų | 186 | 139.3 Ų | 139.3 | 87% | 0.869 | 74% | 0.742 | S | S | * | * | cis | -169 | -167 | -20.8 | -101.5 | -127.6 | 72.1 | 0 | 0 | 107.2 | ||||
| 532 | D | 28.5 | Very low | 34.7 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | trans | 96.7 | 155.8 | 140.9 | -148 | 9.5 | 0 | 0 | 0 | 122.2 | ||||
| 533 | A | 29.7 | Very low | 34.8 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 72% | 0.719 | 73% | 0.729 | S | S | * | * | trans | 72.6 | 106.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 534 | A | 31.3 | Very low | 34.8 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | trans | -110.1 | 155.9 | 144.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 535 | P | 47.6 | Very low | 34.7 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 81% | 0.805 | 72% | 0.721 | S | S | * | * | -153.5 | 142.3 | 118.9 | 35.3 | -16.8 | 0 | 0 | 0 | 118.6 | |||||
| 536 | D | 32.8 | Very low | 34.5 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 55% | 0.545 | 72% | 0.718 | S | S | . | * | trans | 19.7 | 120.6 | 131.1 | -174.5 | 36.2 | 0 | 0 | 0 | 120.7 | ||||
| 537 | R | 37 | Very low | 34.4 | Very low | 210 Ų | 210 | 136.4 Ų | 136.4 | 79% | 0.792 | 73% | 0.726 | S | S | * | * | 175.3 | 118.7 | 112.5 | -94.3 | 163.8 | -161.5 | -179.2 | 7.5 | 119.8 | |||||
| 538 | K | 33.3 | Very low | 34.1 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 71% | 0.709 | 72% | 0.719 | S | S | * | * | 43.4 | 127.2 | 123.7 | -68.3 | -174.2 | 176 | -174.1 | 0 | 124.5 | |||||
| 539 | L | 29.7 | Very low | 34.2 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | 61.4 | 151.9 | 124.9 | -52.8 | 175.7 | 0 | 0 | 0 | 119.5 | |||||
| 540 | T | 30.2 | Very low | 34.2 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 62% | 0.62 | 71% | 0.713 | S | S | * | * | cis | -169.3 | 160.1 | -2.2 | 14 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 541 | Q | 34.4 | Very low | 34.2 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | trans | 70 | 159.1 | 148.8 | -76.6 | -179.4 | -84.7 | 0 | 0 | 119.2 | ||||
| 542 | D | 30.9 | Very low | 34 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 63% | 0.631 | 70% | 0.702 | S | S | * | * | cis | -152.5 | 166.4 | 6.7 | -129.8 | -9 | 0 | 0 | 0 | 114.9 | ||||
| 543 | E | 38.8 | Very low | 34 | Very low | 134 Ų | 134 | 131 Ų | 131 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | trans | 54.6 | 129.4 | 157.5 | -69.4 | -80.1 | 114.2 | 0 | 0 | 120.4 | R545 | E543-R545 IonicContact OE1-NH2 3.07Å; E543-R545 IonicContact OE2-CZ 2.67Å; E543-R545 VanDerWaalsContact OE2-CZ 3.28Å; E543-R545 IonicContact OE2-NE 3.66Å; E543-R545 PolarHBondContact OE2-NE 3.09Å; E543-R545 IonicContact OE2-NH2 3.07Å; E543-R545 PolarHBondContact OE2-NH2 3.13Å | ||
| 544 | A | 36.7 | Very low | 35 | Very low | 74 Ų | 74 | 132.6 Ų | 132.6 | 61% | 0.612 | 71% | 0.707 | S | S | * | * | cis | -170.4 | -158.3 | -4.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 545 | R | 34.2 | Very low | 34.7 | Very low | 193 Ų | 193 | 131.7 Ų | 131.7 | 73% | 0.728 | 71% | 0.707 | S | S | * | * | cis | -166.9 | 151.1 | 2.1 | -138.8 | 151.7 | -123.9 | -112.6 | 1.3 | 110.2 | E543 | E543-R545 IonicContact OE1-NH2 3.07Å; E543-R545 IonicContact OE2-CZ 2.67Å; E543-R545 VanDerWaalsContact OE2-CZ 3.28Å; E543-R545 IonicContact OE2-NE 3.66Å; E543-R545 PolarHBondContact OE2-NE 3.09Å; E543-R545 IonicContact OE2-NH2 3.07Å; E543-R545 PolarHBondContact OE2-NH2 3.13Å | ||
| 546 | T | 36.4 | Very low | 33.8 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 72% | 0.718 | 71% | 0.713 | S | S | * | * | trans | 42.4 | 123.7 | 156 | 49.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 547 | Q | 38.2 | Very low | 33.7 | Very low | 183 Ų | 183 | 134.2 Ų | 134.2 | 86% | 0.855 | 72% | 0.718 | S | S | * | * | cis | -170.2 | 179.9 | -2.6 | -121.4 | 175.4 | -91.3 | 0 | 0 | 108.1 | ||||
| 548 | G | 27.8 | Very low | 33.3 | Very low | 63 Ų | 63 | 133.3 Ų | 133.3 | 65% | 0.649 | 72% | 0.722 | S | S | * | * | cis | -125.1 | -147.5 | 0.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 549 | D | 36.8 | Very low | 33.4 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | cis | 72.6 | 120.4 | 14.2 | -134.4 | 48.1 | 0 | 0 | 0 | 113.7 | ||||
| 550 | K | 33.8 | Very low | 34.1 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 57% | 0.565 | 73% | 0.726 | S | S | * | * | cis | -144.4 | 176.8 | 1.3 | -65.5 | -170.3 | 143.4 | -76 | 0 | 110.9 | E552 | K550-E552 IonicContact NZ-OE1 2.74Å; K550-E552 PolarHBondContact NZ-OE1 2.97Å; K550-E552 IonicContact NZ-OE2 2.77Å; K550-E552 PolarHBondContact NZ-OE2 3.13Å | ||
| 551 | S | 35.8 | Very low | 34.3 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | cis | 74.2 | 159.6 | 13.3 | 62 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 552 | E | 30.6 | Very low | 34.2 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 64% | 0.64 | 74% | 0.736 | S | S | * | * | cis | -135.4 | 178.1 | 16.8 | -77.5 | 89.7 | -92.6 | 0 | 0 | 114.1 | K550 | K550-E552 IonicContact NZ-OE1 2.74Å; K550-E552 PolarHBondContact NZ-OE1 2.97Å; K550-E552 IonicContact NZ-OE2 2.77Å; K550-E552 PolarHBondContact NZ-OE2 3.13Å | ||
| 553 | E | 29.3 | Very low | 34.3 | Very low | 186 Ų | 186 | 130 Ų | 130 | 87% | 0.869 | 74% | 0.74 | S | S | * | * | trans | -102.7 | -165.7 | 170.1 | -132 | -173.4 | -159.3 | 0 | 0 | 110.2 | ||||
| 554 | P | 50.7 | Low | 34.1 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | cis | -133.1 | -160.6 | -20.6 | 42.2 | -22.4 | 0 | 0 | 0 | 113.9 | ||||
| 555 | G | 24.8 | Very low | 33.9 | Very low | 78 Ų | 78 | 133.9 Ų | 133.9 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 172.3 | 147.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 556 | E | 27.5 | Very low | 34.1 | Very low | 199 Ų | 199 | 129.5 Ų | 129.5 | 93% | 0.93 | 76% | 0.764 | S | S | * | * | trans | -111.9 | 153.4 | -176.4 | -72.1 | -174 | 108.2 | 0 | 0 | 115.7 | ||||
| 557 | A | 31.2 | Very low | 34.1 | Very low | 79 Ų | 79 | 131.8 Ų | 131.8 | 65% | 0.653 | 77% | 0.767 | S | S | * | * | trans | 30.1 | 129.9 | 150.2 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 558 | H | 29.1 | Very low | 34 | Very low | 192 Ų | 192 | 128.7 Ų | 128.7 | 89% | 0.889 | 76% | 0.756 | S | S | * | * | -178.6 | 155.4 | 102.1 | -102.9 | -84 | 0 | 0 | 0 | 113.8 | |||||
| 559 | L | 33.8 | Very low | 34.4 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 83% | 0.827 | 75% | 0.752 | S | S | * | * | trans | -87.1 | 157.7 | 172.9 | -76.2 | 173.3 | 0 | 0 | 0 | 110.8 | ||||
| 560 | P | 45.1 | Very low | 34.4 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | -153.9 | 169.4 | 65.1 | 44.2 | -23.7 | 0 | 0 | 0 | 119.5 | |||||
| 561 | V | 34.8 | Very low | 34.4 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 71% | 0.709 | 75% | 0.754 | S | S | * | * | trans | 33.5 | 137.8 | 130.8 | -179.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 562 | D | 33.1 | Very low | 34.2 | Very low | 157 Ų | 157 | 134.7 Ų | 134.7 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | cis | -115.5 | 177.2 | 20.8 | -60.2 | -80.7 | 0 | 0 | 0 | 113.8 | ||||
| 563 | G | 32 | Very low | 34.4 | Very low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | cis | 124.7 | 89.3 | -5.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 564 | D | 34.2 | Very low | 35.4 | Very low | 168 Ų | 168 | 130.6 Ų | 130.6 | 90% | 0.898 | 75% | 0.752 | S | S | * | * | trans | -160.5 | 165.1 | 155.9 | -132.3 | -27.2 | 0 | 0 | 0 | 112.9 | ||||
| 565 | V | 32.6 | Very low | 34.6 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -122.9 | 137.2 | -158.7 | 175 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 566 | A | 39.2 | Very low | 35 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | -150 | 111.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 567 | Q | 37 | Very low | 35.2 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 77% | 0.771 | 73% | 0.732 | S | S | * | * | trans | -79.7 | 158.6 | 164.2 | -68.8 | 166.3 | -49.2 | 0 | 0 | 108.8 | ||||
| 568 | D | 35.1 | Very low | 35.1 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | cis | -155.7 | -172.3 | 0.8 | -118.7 | 21.8 | 0 | 0 | 0 | 105 | K570 | D568-K570 IonicContact OD2-NZ 3.76Å; D568-K570 PolarHBondContact OD2-NZ 3.03Å; D568-K570 VanDerWaalsContact OD2-NZ 3.07Å | ||
| 569 | D | 37 | Very low | 35.3 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 58% | 0.578 | 72% | 0.722 | S | S | * | * | cis | -159.9 | 167 | 17.2 | -141.4 | -7.9 | 0 | 0 | 0 | 118 | ||||
| 570 | K | 35.5 | Very low | 35.3 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 63% | 0.626 | 72% | 0.72 | S | S | * | * | trans | 8.7 | 151 | 139.9 | -76.4 | 167.8 | -146.3 | 82.3 | 0 | 121.7 | D568 | D568-K570 IonicContact OD2-NZ 3.76Å; D568-K570 PolarHBondContact OD2-NZ 3.03Å; D568-K570 VanDerWaalsContact OD2-NZ 3.07Å | ||
| 571 | I | 33.7 | Very low | 34.6 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | cis | -161.2 | 160 | -13.2 | -131.6 | 174.9 | 0 | 0 | 0 | 112.2 | ||||
| 572 | E | 31.3 | Very low | 34.3 | Very low | 166 Ų | 166 | 135 Ų | 135 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | trans | 0.9 | 144.1 | 160.5 | -65.2 | 161.2 | -155.7 | 0 | 0 | 124.7 | ||||
| 573 | D | 35.7 | Very low | 34.4 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | trans | -91.3 | 144.4 | 145.3 | -159.9 | 23.2 | 0 | 0 | 0 | 106 | ||||
| 574 | P | 50 | Low | 34.2 | Very low | 102 Ų | 102 | 140 Ų | 140 | 66% | 0.662 | 73% | 0.733 | S | S | * | * | -157.5 | 163.2 | 59.8 | 43 | -21.1 | 0 | 0 | 0 | 120.3 | |||||
| 575 | F | 33.3 | Very low | 34.1 | Very low | 178 Ų | 178 | 136.4 Ų | 136.4 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | trans | 42.1 | 142.7 | 140.3 | -83 | -97.3 | 0 | 0 | 0 | 125.6 | ||||
| 576 | E | 33.8 | Very low | 34 | Very low | 142 Ų | 142 | 135 Ų | 135 | 66% | 0.664 | 72% | 0.722 | S | S | * | * | trans | 71.8 | 152.7 | 156.9 | -70.2 | -145.2 | 169.2 | 0 | 0 | 118.6 | ||||
| 577 | R | 32.7 | Very low | 33.7 | Very low | 172 Ų | 172 | 138.9 Ų | 138.9 | 65% | 0.649 | 72% | 0.722 | S | S | * | * | cis | -167.3 | 147 | -10.6 | 157.4 | -172.4 | -65.6 | -90.2 | -1.3 | 111.1 | ||||
| 578 | N | 28.7 | Very low | 33.3 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 62% | 0.615 | 72% | 0.716 | S | S | * | * | trans | 51.1 | 137.4 | 157.5 | -71.2 | 25.3 | 0 | 0 | 0 | 125.4 | ||||
| 579 | E | 31.9 | Very low | 33.1 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 71% | 0.71 | 72% | 0.724 | S | S | * | * | 95.5 | 124.5 | 126.7 | -83 | 172 | -115.6 | 0 | 0 | 125.7 | |||||
| 580 | L | 33.8 | Very low | 32.8 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | 84.9 | 128.8 | 135.5 | -69.4 | 172.1 | 0 | 0 | 0 | 124.9 | ||||
| 581 | A | 31.2 | Very low | 32.7 | Very low | 81 Ų | 81 | 139.6 Ų | 139.6 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | trans | 76.3 | 113.4 | 136.3 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 582 | D | 28.9 | Very low | 32.6 | Very low | 156 Ų | 156 | 141 Ų | 141 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | 32.5 | 118.3 | 125.6 | -47.8 | -20.8 | 0 | 0 | 0 | 121.8 | |||||
| 583 | V | 33.9 | Very low | 32.6 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 92% | 0.915 | 75% | 0.745 | S | S | * | * | trans | -141 | 154.6 | 139.6 | -173.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 584 | E | 29.8 | Very low | 33 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | trans | -86.8 | -173.3 | -166 | -45.8 | -179.2 | 118.1 | 0 | 0 | 116.5 | ||||
| 585 | A | 31 | Very low | 32 | Very low | 92 Ų | 92 | 141.4 Ų | 141.4 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | trans | 81.8 | 143.6 | 146.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 586 | S | 30.9 | Very low | 31.9 | Very low | 91 Ų | 91 | 139.3 Ų | 139.3 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | cis | -173.3 | 151.9 | -10.3 | 51.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 587 | H | 32.9 | Very low | 31.5 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | trans | 60.7 | 153.3 | 155.2 | -64.3 | -52.6 | 0 | 0 | 0 | 118.3 | ||||
| 588 | S | 28.7 | Very low | 31.7 | Very low | 91 Ų | 91 | 134.7 Ų | 134.7 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | cis | -153 | 164.3 | -13.7 | 46.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 589 | D | 29.4 | Very low | 32.3 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | 173.5 | 136.1 | 115 | -84 | -3.3 | 0 | 0 | 0 | 111 | |||||
| 590 | E | 31.9 | Very low | 32.3 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -89.9 | 171.6 | 166.9 | -50.8 | -178.4 | 137 | 0 | 0 | 107.7 | ||||
| 591 | D | 32.8 | Very low | 32.3 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 66% | 0.658 | 78% | 0.783 | S | S | * | * | cis | -165.4 | -177.4 | 20.3 | -166.3 | 10.1 | 0 | 0 | 0 | 110.6 | ||||
| 592 | Q | 30.9 | Very low | 32.2 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | trans | 74.2 | 113 | 152.9 | -81.8 | 154.9 | 72.4 | 0 | 0 | 120.4 | ||||
| 593 | V | 33.3 | Very low | 32.3 | Very low | 134 Ų | 134 | 136 Ų | 136 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -93.4 | 153.8 | 146.6 | -150.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 594 | P | 42.7 | Very low | 32.3 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | -148.6 | 148.4 | 101.5 | 36.9 | -20.3 | 0 | 0 | 0 | 117.1 | |||||
| 595 | E | 30.4 | Very low | 32.3 | Very low | 163 Ų | 163 | 137 Ų | 137 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | 46.9 | 123.8 | 141.4 | -65.8 | -152.9 | 118.4 | 0 | 0 | 124.6 | ||||
| 596 | T | 30 | Very low | 32.4 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | trans | 74.3 | 130.9 | 136.8 | 61.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 597 | G | 26.8 | Very low | 32.2 | Very low | 76 Ų | 76 | 139.7 Ų | 139.7 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | 162.2 | 114.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 598 | V | 35 | Very low | 31.9 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -140.6 | 124.6 | 170.1 | 169.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 599 | P | 42.8 | Very low | 32 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | -147 | -178.6 | 106.8 | 39.5 | -22.5 | 0 | 0 | 0 | 116 | |||||
| 600 | E | 30.7 | Very low | 31.9 | Very low | 179 Ų | 179 | 135.2 Ų | 135.2 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -67.5 | 161.1 | -174.7 | -53.5 | 138.5 | 126.1 | 0 | 0 | 115.1 | ||||
| 601 | S | 33.3 | Very low | 31.9 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | -177.7 | 158.5 | 113.6 | 53.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 602 | D | 30.3 | Very low | 31.8 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -89.4 | 157.3 | -170.8 | -38.7 | -100.3 | 0 | 0 | 0 | 114.8 | ||||
| 603 | A | 31.8 | Very low | 31.8 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -157.3 | 151.5 | 149.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 604 | E | 32.5 | Very low | 31.5 | Very low | 176 Ų | 176 | 134.8 Ų | 134.8 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -115.6 | -173.1 | -172.4 | -93.7 | -90.2 | -154.3 | 0 | 0 | 112 | ||||
| 605 | E | 30.8 | Very low | 31.1 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | 79.5 | 149 | 166.2 | -55.4 | -84.1 | 136 | 0 | 0 | 117.5 | ||||
| 606 | A | 32.5 | Very low | 31.1 | Very low | 74 Ų | 74 | 135 Ų | 135 | 61% | 0.612 | 79% | 0.79 | S | S | * | * | cis | -173.2 | -177.4 | -21.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 607 | D | 26.3 | Very low | 31.1 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | 67.8 | 149.1 | 170.8 | -130.5 | 10.8 | 0 | 0 | 0 | 114.5 | ||||
| 608 | G | 27.7 | Very low | 31.2 | Very low | 67 Ų | 67 | 134.9 Ų | 134.9 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | cis | 139.8 | 159 | 14 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 609 | S | 29.7 | Very low | 30.8 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | cis | -170.1 | 156 | -8.8 | 178.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 610 | M | 26.6 | Very low | 30 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 84% | 0.837 | 78% | 0.783 | S | S | * | * | trans | 63.5 | 169.2 | 159.2 | -81.1 | 162.7 | 37.3 | 0 | 0 | 118.4 | ||||
| 611 | V | 33.6 | Very low | 29.9 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | cis | -172.5 | 161.8 | -44.7 | 124.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 612 | K | 31 | Very low | 29.7 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 77 | 160.3 | 174.6 | -72.7 | 157.1 | -174.6 | 179 | 0 | 117.6 | ||||
| 613 | H | 30.5 | Very low | 30.2 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | cis | -173.7 | 175.1 | -39.5 | -134.3 | -102.4 | 0 | 0 | 0 | 110.6 | ||||
| 614 | D | 27.4 | Very low | 30 | Very low | 141 Ų | 141 | 134.4 Ų | 134.4 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | 84.4 | 171.7 | 156.1 | -54.4 | -30.6 | 0 | 0 | 0 | 121.4 | ||||
| 615 | E | 32.6 | Very low | 29.7 | Very low | 188 Ų | 188 | 133.1 Ų | 133.1 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | -110.4 | 164.4 | -145.2 | -46.9 | 176 | 100.2 | 0 | 0 | 116.2 | ||||
| 616 | A | 32.1 | Very low | 29.6 | Very low | 95 Ų | 95 | 134 Ų | 134 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | 167.5 | 124.1 | 110.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 617 | A | 30.2 | Very low | 29.4 | Very low | 97 Ų | 97 | 133.5 Ų | 133.5 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | 54.9 | 148.6 | 135.6 | 0 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 618 | S | 27.1 | Very low | 29.7 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 74.7 | 144.5 | 150.8 | -98.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 619 | T | 26.6 | Very low | 29.9 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | cis | -163.6 | 148.5 | -22.2 | 5.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 620 | V | 27.3 | Very low | 30 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | 50.9 | 114.5 | 148.2 | 179.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 621 | S | 27.3 | Very low | 30.2 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | 173.1 | 135.9 | 119 | -73.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 622 | E | 29.8 | Very low | 30.3 | Very low | 174 Ų | 174 | 143.6 Ų | 143.6 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -121.8 | 169.8 | 154.2 | -58.1 | -169 | 162.5 | 0 | 0 | 107.9 | ||||
| 623 | P | 40.4 | Very low | 30.8 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | -141.6 | 145.6 | 81.1 | 35.9 | -19.2 | 0 | 0 | 0 | 116.5 | |||||
| 624 | E | 28 | Very low | 31.3 | Very low | 157 Ų | 157 | 146.9 Ų | 146.9 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | 25.3 | 137.8 | 140.9 | -55 | -170.6 | 173.5 | 0 | 0 | 122.3 | ||||
| 625 | T | 27 | Very low | 31.8 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | trans | -126.9 | 132.3 | 142.8 | 34.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 626 | F | 27.9 | Very low | 32.3 | Very low | 197 Ų | 197 | 142.9 Ų | 142.9 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -88.9 | 147.2 | -173.1 | -154.8 | -93.3 | 0 | 0 | 0 | 111.3 | ||||
| 627 | G | 28.7 | Very low | 32.8 | Very low | 64 Ų | 64 | 145.9 Ų | 145.9 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | trans | -105.4 | 150 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 628 | A | 31.4 | Very low | 33.5 | Very low | 101 Ų | 101 | 149.3 Ų | 149.3 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -136.8 | 125.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 629 | E | 32.4 | Very low | 34.1 | Very low | 197 Ų | 197 | 152.4 Ų | 152.4 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -84.5 | 157.4 | 171.5 | -65.9 | -176.7 | 123.9 | 0 | 0 | 110.9 | ||||
| 630 | I | 31.3 | Very low | 35.2 | Very low | 156 Ų | 156 | 151.7 Ų | 151.7 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -94.4 | 136.5 | 175.5 | -63.6 | 170.9 | 0 | 0 | 0 | 109.3 | ||||
| 631 | Q | 31.3 | Very low | 36 | Very low | 191 Ų | 191 | 153 Ų | 153 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -121.7 | 144.9 | 158.2 | -74.5 | -169.1 | -7.4 | 0 | 0 | 109.8 | ||||
| 632 | E | 35.6 | Very low | 36.9 | Very low | 174 Ų | 174 | 154.8 Ų | 154.8 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -93.2 | 172.7 | -170 | -66.5 | 174.9 | 117.8 | 0 | 0 | 113.7 | ||||
| 633 | E | 42.7 | Very low | 37.7 | Very low | 177 Ų | 177 | 151 Ų | 151 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | 60.5 | 83.3 | 154.6 | -71.9 | -178.2 | -179.8 | 0 | 0 | 118.8 | ||||
| 634 | R | 39.8 | Very low | 38.1 | Very low | 235 Ų | 235 | 152.6 Ų | 152.6 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | -161.4 | 155.8 | 127.4 | -106.7 | 158.2 | -170.5 | 163 | 5.8 | 111.3 | |||||
| 635 | N | 38.5 | Very low | 39 | Very low | 153 Ų | 153 | 150.4 Ų | 150.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 81.9 | 83.6 | -178.7 | -51.3 | 3.3 | 0 | 0 | 0 | 115 | ||||
| 636 | A | 43.6 | Very low | 39.9 | Very low | 91 Ų | 91 | 150.8 Ų | 150.8 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | -155.3 | 23.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 637 | N | 41.2 | Very low | 40.8 | Very low | 159 Ų | 159 | 147.3 Ų | 147.3 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -129.9 | 13.9 | -166.5 | -91.3 | 67.1 | 0 | 0 | 0 | 113.6 | ||
| 638 | E | 45.3 | Very low | 41.7 | Very low | 169 Ų | 169 | 151.5 Ų | 151.5 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -120.4 | -13.5 | -168.9 | -154.9 | 156.6 | -159.4 | 0 | 0 | 113.4 | ||
| 639 | E | 40.6 | Very low | 42.6 | Very low | 175 Ų | 175 | 150.2 Ų | 150.2 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -92.8 | 9.8 | 178.5 | -62.9 | -179.5 | 152.5 | 0 | 0 | 113.8 | ||
| 640 | V | 48.9 | Very low | 43.3 | Very low | 103 Ų | 103 | 148.8 Ų | 148.8 | 62% | 0.624 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -101.1 | -21.8 | -175.4 | -176 | 0 | 0 | 0 | 0 | 112.9 | ||
| 641 | E | 44.6 | Very low | 44.1 | Very low | 156 Ų | 156 | 145.1 Ų | 145.1 | 73% | 0.729 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -15.5 | 179.7 | -71.9 | -165.2 | 149.5 | 0 | 0 | 114.4 | N645 | E641-N645 PolarHBondContact O-ND2 3.42Š|
| 642 | E | 45.8 | Very low | 45 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -40 | 179.9 | -65.3 | -164.6 | 134.6 | 0 | 0 | 112.5 | E644 N645 | E642-E644 VanDerWaalsContact C-N 3.34Å; E642-E644 PolarHBondContact O-N 2.79Å; E642-N645 PolarHBondContact O-N 3.37Å |
| 643 | V | 46.9 | Very low | 45.7 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 58% | 0.576 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -70.6 | -26.9 | -177.2 | -173.1 | 0 | 0 | 0 | 0 | 112.9 | N645 N647 | V643-N645 VanDerWaalsContact C-N 3.33Å; V643-N647 PolarHBondContact O-ND2 3.02Å |
| 644 | E | 47.9 | Very low | 45.9 | Very low | 156 Ų | 156 | 144 Ų | 144 | 73% | 0.729 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -78.3 | -13.6 | 174.9 | -67.7 | -160.7 | 156.8 | 0 | 0 | 113.7 | E642 | E642-E644 VanDerWaalsContact C-N 3.34Å; E642-E644 PolarHBondContact O-N 2.79Å |
| 645 | N | 47.1 | Very low | 46 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 59% | 0.594 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -91.3 | -33.9 | -179.9 | -82.5 | -69.8 | 0 | 0 | 0 | 113.8 | E641 E642 V643 K648 | E641-N645 PolarHBondContact O-ND2 3.42Å; E642-N645 PolarHBondContact O-N 3.37Å; V643-N645 VanDerWaalsContact C-N 3.33Å; N645-K648 PolarHBondContact O-N 2.67Å |
| 646 | E | 46.3 | Very low | 46.4 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -67 | -40.3 | 176.8 | -65.3 | -166.9 | 137.2 | 0 | 0 | 112.1 | K648 A649 | E646-K648 PolarHBondContact O-N 3.07Å; E646-A649 WeakPolarHBondContact O-CB 3.33Å; E646-A649 PolarHBondContact O-N 3.07Å |
| 647 | N | 47.8 | Very low | 46.5 | Very low | 124 Ų | 124 | 146.1 Ų | 146.1 | 66% | 0.663 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -0.1 | 177.3 | -73.4 | -82.4 | 0 | 0 | 0 | 114.5 | V643 | V643-N647 PolarHBondContact O-ND2 3.02Š|
| 648 | K | 47 | Very low | 46.8 | Very low | 152 Ų | 152 | 145.3 Ų | 145.3 | 66% | 0.661 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | -6.7 | 174.4 | -163.9 | 173.7 | 177.5 | -176.9 | 0 | 113.2 | N645 E646 S651 | N645-K648 PolarHBondContact O-N 2.67Å; E646-K648 PolarHBondContact O-N 3.07Å; K648-S651 PolarHBondContact O-OG 2.77Å |
| 649 | A | 49.4 | Very low | 46.9 | Very low | 74 Ų | 74 | 143.9 Ų | 143.9 | 61% | 0.612 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -30.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | E646 | E646-A649 WeakPolarHBondContact O-CB 3.33Å; E646-A649 PolarHBondContact O-N 3.07Å |
| 650 | E | 46.8 | Very low | 47.3 | Very low | 168 Ų | 168 | 142 Ų | 142 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -82.7 | -18.8 | -179.3 | -64.1 | -167.7 | 135.6 | 0 | 0 | 113.7 | D652 | E650-D652 PolarHBondContact O-N 2.74Š|
| 651 | S | 50 | Low | 47.2 | Very low | 78 Ų | 78 | 144.6 Ų | 144.6 | 55% | 0.545 | 73% | 0.734 | S | S | . | * | G | 310 helix | trans | -71.6 | -12.4 | -178.6 | 62.8 | 0 | 0 | 0 | 0 | 115 | K648 | K648-S651 PolarHBondContact O-OG 2.77Š|
| 652 | D | 49.5 | Very low | 47.4 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -101.8 | 10.4 | -176 | -75.4 | 10.8 | 0 | 0 | 0 | 112.7 | E650 | E650-D652 PolarHBondContact O-N 2.74Š|
| 653 | F | 49.3 | Very low | 47.5 | Very low | 191 Ų | 191 | 143.2 Ų | 143.2 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -119.4 | -1.3 | -177.5 | -124.2 | -84.1 | 0 | 0 | 0 | 116.6 | ||
| 654 | E | 47.7 | Very low | 47.6 | Very low | 189 Ų | 189 | 147.3 Ų | 147.3 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | trans | -118.8 | 89.9 | 165.7 | -72.6 | -159.4 | 142.2 | 0 | 0 | 110.9 | ||||
| 655 | N | 42.1 | Very low | 47.5 | Very low | 231 Ų | 231 | 146.5 Ų | 146.5 | 100% | 1.235 | 75% | 0.753 | S | S | * | * | trans | -157.2 | 0 | 174.3 | -156.1 | 14 | 0 | 0 | 0 | 110.7 |
Retrieved 655 of 655 residues in 407.4 ms
(Link to these results)