| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35 | Very low | 37.4 | Very low | 246 Ų | 246 | 125 Ų | 125 | 100% | 1.212 | 70% | 0.695 | S | S | * | * | 0 | 101 | 0 | -77.6 | 166.8 | 164 | 0 | 0 | 107 | |||||
| 2 | E | 32.4 | Very low | 37 | Very low | 179 Ų | 179 | 127.6 Ų | 127.6 | 84% | 0.836 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 154 | 163.9 | -64 | 178.7 | 127.2 | 0 | 0 | 107.8 | E4 | E2-E4 PolarHBondContact O-N 3.35Š|
| 3 | P | 36.2 | Very low | 36.7 | Very low | 120 Ų | 120 | 124.2 Ų | 124.2 | 78% | 0.779 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 133.4 | -180 | 27.8 | -34.2 | 0 | 0 | 0 | 111.2 | L5 | P3-L5 PolarHBondContact O-N 3.26Š|
| 4 | E | 33.9 | Very low | 36.4 | Very low | 189 Ų | 189 | 124.6 Ų | 124.6 | 88% | 0.883 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 117.4 | 170.9 | -66.5 | -171.2 | 128.9 | 0 | 0 | 109.7 | E2 N6 | E2-E4 PolarHBondContact O-N 3.35Å; E4-N6 VanDerWaalsContact C-N 3.3Å; E4-N6 PolarHBondContact O-N 3.24Å |
| 5 | L | 37.6 | Very low | 36.3 | Very low | 139 Ų | 139 | 127.2 Ų | 127.2 | 73% | 0.728 | 72% | 0.718 | S | S | * | * | trans | -73.6 | 84.2 | 178.7 | -85.9 | 159.4 | 0 | 0 | 0 | 110.2 | P3 C7 | P3-L5 PolarHBondContact O-N 3.26Å; L5-C7 PolarHBondContact O-N 3.06Å | ||
| 6 | N | 34.9 | Very low | 36.3 | Very low | 116 Ų | 116 | 124 Ų | 124 | 62% | 0.62 | 71% | 0.705 | S | S | * | * | trans | -76.6 | 80.9 | -174.8 | -169.5 | 17.2 | 0 | 0 | 0 | 112.7 | E4 S8 | E4-N6 VanDerWaalsContact C-N 3.3Å; E4-N6 PolarHBondContact O-N 3.24Å; N6-S8 PolarHBondContact ND2-OG 2.72Å; N6-S8 PolarHBondContact O-N 3.35Å; N6-S8 WeakPolarHBondContact OD1-CB 3.45Å; N6-S8 PolarHBondContact OD1-N 3.29Å; N6-S8 PolarHBondContact OD1-OG 2.87Å | ||
| 7 | C | 39.8 | Very low | 36.1 | Very low | 52 Ų | 52 | 126.2 Ų | 126.2 | 35% | 0.351 | 71% | 0.713 | S | S | . | * | G | 310 helix | trans | -70.7 | 17.3 | 171.6 | -67.1 | 0 | 0 | 0 | 0 | 113.4 | L5 S9 C35 | L5-C7 PolarHBondContact O-N 3.06Å; C7-S9 VanDerWaalsContact C-N 3.3Å; C7-S9 PolarHBondContact O-N 2.86Å; C7-C35 HydrophobicContact CB-CB 4.48Å; C7-C35 WeakPolarHBondContact CB-SG 3.38Å; C7-C35 WeakPolarHBondContact SG-CB 3.4Å; C7-C35 CovalentContact SG-SG 2.08Å; C7-C35 PolarHBondContact SG-SG 3.48Å |
| 8 | S | 38.4 | Very low | 36.2 | Very low | 81 Ų | 81 | 126.3 Ų | 126.3 | 57% | 0.566 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -69.8 | -20.5 | -178.1 | 78 | 0 | 0 | 0 | 0 | 114.6 | N6 V10 | N6-S8 PolarHBondContact ND2-OG 2.72Å; N6-S8 PolarHBondContact O-N 3.35Å; N6-S8 WeakPolarHBondContact OD1-CB 3.45Å; N6-S8 PolarHBondContact OD1-N 3.29Å; N6-S8 PolarHBondContact OD1-OG 2.87Å; S8-V10 VanDerWaalsContact C-N 3.29Å; S8-V10 PolarHBondContact O-N 3.34Å |
| 9 | S | 37.9 | Very low | 35.9 | Very low | 93 Ų | 93 | 129.1 Ų | 129.1 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -85.2 | 8.7 | -177.2 | 53.9 | 0 | 0 | 0 | 0 | 114.6 | C7 | C7-S9 VanDerWaalsContact C-N 3.3Å; C7-S9 PolarHBondContact O-N 2.86Å |
| 10 | V | 43.7 | Very low | 36.1 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 53% | 0.527 | 73% | 0.727 | S | S | . | * | G | 310 helix | trans | -125.9 | 11.9 | -170.9 | -158.2 | 0 | 0 | 0 | 0 | 112.4 | S8 | S8-V10 VanDerWaalsContact C-N 3.29Å; S8-V10 PolarHBondContact O-N 3.34Å |
| 11 | C | 41.2 | Very low | 36.4 | Very low | 73 Ų | 73 | 125.4 Ų | 125.4 | 49% | 0.493 | 73% | 0.727 | S | S | . | * | trans | -134 | 39.8 | -176.7 | -84.9 | 0 | 0 | 0 | 0 | 114.5 | S13 | C11-S13 PolarHBondContact O-N 3.19Š| ||
| 12 | D | 33.6 | Very low | 36.8 | Very low | 156 Ų | 156 | 120.4 Ų | 120.4 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | trans | -72.2 | 63.3 | 165.9 | -73.5 | -40.3 | 0 | 0 | 0 | 111.3 | ||||
| 13 | S | 32.7 | Very low | 37.5 | Very low | 83 Ų | 83 | 114.5 Ų | 114.5 | 58% | 0.58 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -156.2 | 129 | 175.2 | -80.5 | 0 | 0 | 0 | 0 | 112 | C11 L15 C16 | C11-S13 PolarHBondContact O-N 3.19Å; S13-L15 PolarHBondContact O-N 3.14Å; S13-C16 PolarHBondContact O-N 3.45Å |
| 14 | P | 32.1 | Very low | 38.4 | Very low | 131 Ų | 131 | 119.5 Ų | 119.5 | 85% | 0.851 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 12.2 | -169.5 | 31.3 | -37.9 | 0 | 0 | 0 | 115.1 | ||
| 15 | L | 34.5 | Very low | 39.2 | Very low | 163 Ų | 163 | 117.8 Ų | 117.8 | 85% | 0.853 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -2.1 | 180 | -69.5 | 170.7 | 0 | 0 | 0 | 113.5 | S13 L17 | S13-L15 PolarHBondContact O-N 3.14Å; L15-L17 PolarHBondContact O-N 3.25Å |
| 16 | C | 37.2 | Very low | 39.9 | Very low | 76 Ų | 76 | 117.1 Ų | 117.1 | 51% | 0.514 | 67% | 0.671 | S | S | . | * | trans | -80.1 | 51.7 | 177 | -154.4 | 0 | 0 | 0 | 0 | 112.6 | S13 I18 | S13-C16 PolarHBondContact O-N 3.45Å; C16-I18 PolarHBondContact O-N 2.98Å | ||
| 17 | L | 32.4 | Very low | 40.7 | Very low | 162 Ų | 162 | 113 Ų | 113 | 85% | 0.848 | 66% | 0.657 | S | S | * | * | trans | -88.2 | 87.4 | -178.6 | -148 | 86.8 | 0 | 0 | 0 | 110.9 | L15 Q19 | L15-L17 PolarHBondContact O-N 3.25Å; L17-Q19 PolarHBondContact O-N 3.44Å | ||
| 18 | I | 38.6 | Very low | 41.2 | Very low | 127 Ų | 127 | 116.1 Ų | 116.1 | 65% | 0.651 | 67% | 0.666 | S | S | * | * | trans | -74.6 | 112.7 | 170.7 | -58.7 | 178.4 | 0 | 0 | 0 | 108.4 | C16 A20 L31 | C16-I18 PolarHBondContact O-N 2.98Å; I18-A20 PolarHBondContact O-N 3.4Å; I18-L31 HydrophobicContact CD1-CD1 4.32Å | ||
| 19 | Q | 30.8 | Very low | 41.8 | Very low | 179 Ų | 179 | 116.2 Ų | 116.2 | 84% | 0.836 | 66% | 0.66 | S | S | * | * | trans | -66.5 | 123.5 | -179.9 | -169.5 | 161.4 | -23.9 | 0 | 0 | 110.6 | L17 G21 | L17-Q19 PolarHBondContact O-N 3.44Å; Q19-G21 PolarHBondContact O-N 2.83Å | ||
| 20 | A | 39.8 | Very low | 42.6 | Very low | 112 Ų | 112 | 115.6 Ų | 115.6 | 93% | 0.926 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -72.6 | 85.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I18 | I18-A20 PolarHBondContact O-N 3.4Š|
| 21 | G | 42.8 | Very low | 43 | Very low | 70 Ų | 70 | 115.5 Ų | 115.5 | 72% | 0.722 | 65% | 0.648 | S | S | * | * | trans | -161.8 | 9.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | Q19 | Q19-G21 PolarHBondContact O-N 2.83Š| ||
| 22 | L | 42.3 | Very low | 43.5 | Very low | 141 Ų | 141 | 119 Ų | 119 | 74% | 0.738 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -110.3 | 156.7 | 175.5 | -98.5 | 69.4 | 0 | 0 | 0 | 111.7 | ||
| 23 | S | 46.9 | Very low | 44.6 | Very low | 54 Ų | 54 | 118.3 Ų | 118.3 | 38% | 0.378 | 64% | 0.637 | S | S | . | * | trans | -63.3 | 147.6 | -175.9 | 87.1 | 0 | 0 | 0 | 0 | 112.1 | Q25 E26 G27 | S23-Q25 PolarHBondContact O-N 2.96Å; S23-E26 VanDerWaalsContact CB-OE2 3.28Å; S23-E26 WeakPolarHBondContact CB-OE2 3.43Å; S23-E26 PolarHBondContact O-N 3.26Å; S23-E26 WeakPolarHBondContact OG-CB 3.21Å; S23-E26 WeakPolarHBondContact OG-CG 3.35Å; S23-E26 PolarHBondContact OG-N 2.99Å; S23-E26 PolarHBondContact OG-OE2 3.28Å; S23-G27 PolarHBondContact O-N 3.2Å; S23-G27 VanDerWaalsContact O-N 3.1Å | ||
| 24 | R | 55.9 | Low | 45.6 | Very low | 226 Ų | 226 | 119 Ų | 119 | 85% | 0.853 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -14.6 | -171 | -158.7 | 177 | -172.6 | -176.2 | 2.6 | 114.1 | Q28 | R24-Q28 VanDerWaalsContact O-CG 3.29Å; R24-Q28 WeakPolarHBondContact O-CG 3.41Å |
| 25 | Q | 51.2 | Low | 46.2 | Very low | 152 Ų | 152 | 115 Ų | 115 | 71% | 0.71 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | -42.6 | -175.7 | -162.2 | 155.1 | -24 | 0 | 0 | 112.2 | S23 G27 Q28 D29 | S23-Q25 PolarHBondContact O-N 2.96Å; Q25-G27 VanDerWaalsContact C-N 3.33Å; Q25-G27 PolarHBondContact O-N 3.44Å; Q25-Q28 PolarHBondContact O-N 2.81Å; Q25-Q28 VanDerWaalsContact O-N 3.15Å; Q25-D29 PolarHBondContact O-N 2.94Å |
| 26 | E | 50.9 | Low | 47 | Very low | 125 Ų | 125 | 112 Ų | 112 | 58% | 0.584 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.7 | -39.8 | 173.5 | -65.2 | 166.4 | 123.6 | 0 | 0 | 111.3 | S23 Q28 D29 V30 | S23-E26 VanDerWaalsContact CB-OE2 3.28Å; S23-E26 WeakPolarHBondContact CB-OE2 3.43Å; S23-E26 PolarHBondContact O-N 3.26Å; S23-E26 WeakPolarHBondContact OG-CB 3.21Å; S23-E26 WeakPolarHBondContact OG-CG 3.35Å; S23-E26 PolarHBondContact OG-N 2.99Å; S23-E26 PolarHBondContact OG-OE2 3.28Å; E26-Q28 VanDerWaalsContact C-N 3.28Å; E26-Q28 PolarHBondContact O-N 2.96Å; E26-D29 PolarHBondContact O-N 3.49Å; E26-V30 WeakPolarHBondContact O-CG2 3.45Å; E26-V30 PolarHBondContact O-N 3.04Å |
| 27 | G | 52.3 | Low | 47.4 | Very low | 31 Ų | 31 | 110 Ų | 110 | 32% | 0.32 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.7 | -34.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S23 Q25 L31 | S23-G27 PolarHBondContact O-N 3.2Å; S23-G27 VanDerWaalsContact O-N 3.1Å; Q25-G27 VanDerWaalsContact C-N 3.33Å; Q25-G27 PolarHBondContact O-N 3.44Å; G27-L31 VanDerWaalsContact O-CB 3.3Å; G27-L31 WeakPolarHBondContact O-CB 3.37Å; G27-L31 PolarHBondContact O-N 3.33Å |
| 28 | Q | 50.6 | Low | 47.9 | Very low | 117 Ų | 117 | 107 Ų | 107 | 55% | 0.547 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -73.8 | -38.3 | 176.7 | -76.4 | -177.4 | -11.1 | 0 | 0 | 112.5 | R24 Q25 E26 L31 R32 | R24-Q28 VanDerWaalsContact O-CG 3.29Å; R24-Q28 WeakPolarHBondContact O-CG 3.41Å; Q25-Q28 PolarHBondContact O-N 2.81Å; Q25-Q28 VanDerWaalsContact O-N 3.15Å; E26-Q28 VanDerWaalsContact C-N 3.28Å; E26-Q28 PolarHBondContact O-N 2.96Å; Q28-L31 PolarHBondContact O-N 3.28Å; Q28-R32 WeakPolarHBondContact O-CB 3.46Å; Q28-R32 WeakPolarHBondContact O-CG 3.45Å; Q28-R32 PolarHBondContact O-N 3.27Å |
| 29 | D | 51.6 | Low | 47.9 | Very low | 82 Ų | 82 | 105.1 Ų | 105.1 | 44% | 0.439 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70 | -36.3 | 174.5 | -95.4 | -13.1 | 0 | 0 | 0 | 112.4 | Q25 E26 R33 | Q25-D29 PolarHBondContact O-N 2.94Å; E26-D29 PolarHBondContact O-N 3.49Å; D29-R33 WeakPolarHBondContact O-CB 3.36Å; D29-R33 VanDerWaalsContact O-CG 3.26Å; D29-R33 WeakPolarHBondContact O-CG 3.32Å; D29-R33 PolarHBondContact O-N 2.87Å |
| 30 | V | 54.7 | Low | 48.4 | Very low | 81 Ų | 81 | 102.4 Ų | 102.4 | 49% | 0.491 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 170.2 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | E26 R33 L34 | E26-V30 WeakPolarHBondContact O-CG2 3.45Å; E26-V30 PolarHBondContact O-N 3.04Å; V30-R33 PolarHBondContact O-N 3.24Å; V30-L34 HydrophobicContact CG1-CD1 3.92Å; V30-L34 WeakPolarHBondContact O-CB 3.34Å; V30-L34 WeakPolarHBondContact O-CG 3.25Å; V30-L34 PolarHBondContact O-N 2.9Å |
| 31 | L | 52 | Low | 48.3 | Very low | 84 Ų | 84 | 98.2 Ų | 98.2 | 44% | 0.44 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 178.5 | -167.7 | 68.5 | 0 | 0 | 0 | 112.4 | I18 G27 Q28 L34 C35 | I18-L31 HydrophobicContact CD1-CD1 4.32Å; G27-L31 VanDerWaalsContact O-CB 3.3Å; G27-L31 WeakPolarHBondContact O-CB 3.37Å; G27-L31 PolarHBondContact O-N 3.33Å; Q28-L31 PolarHBondContact O-N 3.28Å; L31-L34 PolarHBondContact O-N 3.27Å; L31-C35 WeakPolarHBondContact O-CB 3.44Å; L31-C35 PolarHBondContact O-N 3.26Å |
| 32 | R | 51.6 | Low | 47.9 | Very low | 148 Ų | 148 | 99.1 Ų | 99.1 | 56% | 0.558 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.2 | -47.5 | 172.1 | -84.7 | -179.9 | 163.4 | -177.5 | -5.5 | 111.5 | Q28 L34 C35 I36 | Q28-R32 WeakPolarHBondContact O-CB 3.46Å; Q28-R32 WeakPolarHBondContact O-CG 3.45Å; Q28-R32 PolarHBondContact O-N 3.27Å; R32-L34 VanDerWaalsContact C-N 3.29Å; R32-L34 PolarHBondContact O-N 3.5Å; R32-C35 PolarHBondContact O-N 3.24Å; R32-I36 WeakPolarHBondContact O-CB 3.3Å; R32-I36 WeakPolarHBondContact O-CD1 3.43Å; R32-I36 VanDerWaalsContact O-CG1 3.25Å; R32-I36 WeakPolarHBondContact O-CG1 3.31Å; R32-I36 PolarHBondContact O-N 2.9Å |
| 33 | R | 55.9 | Low | 47.7 | Very low | 140 Ų | 140 | 101 Ų | 101 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.3 | -38.6 | 175.8 | -73.5 | 175.8 | -172.3 | -139.6 | 3.6 | 111.5 | D29 V30 L37 | D29-R33 WeakPolarHBondContact O-CB 3.36Å; D29-R33 VanDerWaalsContact O-CG 3.26Å; D29-R33 WeakPolarHBondContact O-CG 3.32Å; D29-R33 PolarHBondContact O-N 2.87Å; V30-R33 PolarHBondContact O-N 3.24Å; R33-L37 VanDerWaalsContact O-CB 3.26Å; R33-L37 WeakPolarHBondContact O-CB 3.43Å; R33-L37 WeakPolarHBondContact O-CD1 3.46Å; R33-L37 WeakPolarHBondContact O-CG 3.3Å; R33-L37 PolarHBondContact O-N 2.85Å |
| 34 | L | 53.3 | Low | 47.2 | Very low | 99 Ų | 99 | 101 Ų | 101 | 52% | 0.518 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.9 | -45.7 | 175 | -72.1 | 167.4 | 0 | 0 | 0 | 112.8 | V30 L31 R32 I36 L37 N38 | V30-L34 HydrophobicContact CG1-CD1 3.92Å; V30-L34 WeakPolarHBondContact O-CB 3.34Å; V30-L34 WeakPolarHBondContact O-CG 3.25Å; V30-L34 PolarHBondContact O-N 2.9Å; L31-L34 PolarHBondContact O-N 3.27Å; R32-L34 VanDerWaalsContact C-N 3.29Å; R32-L34 PolarHBondContact O-N 3.5Å; L34-I36 VanDerWaalsContact C-N 3.31Å; L34-I36 PolarHBondContact O-N 3.16Å; L34-L37 PolarHBondContact O-N 3.16Å; L34-N38 WeakPolarHBondContact O-CB 3.43Å; L34-N38 PolarHBondContact O-N 3.02Å |
| 35 | C | 44.1 | Very low | 46.4 | Very low | 47 Ų | 47 | 95.8 Ų | 95.8 | 32% | 0.318 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -36 | 178.6 | -143.9 | 0 | 0 | 0 | 0 | 110.8 | C7 L31 R32 S39 | C7-C35 HydrophobicContact CB-CB 4.48Å; C7-C35 WeakPolarHBondContact CB-SG 3.38Å; C7-C35 WeakPolarHBondContact SG-CB 3.4Å; C7-C35 CovalentContact SG-SG 2.08Å; C7-C35 PolarHBondContact SG-SG 3.48Å; L31-C35 WeakPolarHBondContact O-CB 3.44Å; L31-C35 PolarHBondContact O-N 3.26Å; R32-C35 PolarHBondContact O-N 3.24Å; C35-S39 PolarHBondContact O-N 3.21Å |
| 36 | I | 51.6 | Low | 46.3 | Very low | 100 Ų | 100 | 93.3 Ų | 93.3 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.4 | -43.3 | 171.7 | -67.4 | 165.2 | 0 | 0 | 0 | 112.2 | R32 L34 N38 S39 L40 | R32-I36 WeakPolarHBondContact O-CB 3.3Å; R32-I36 WeakPolarHBondContact O-CD1 3.43Å; R32-I36 VanDerWaalsContact O-CG1 3.25Å; R32-I36 WeakPolarHBondContact O-CG1 3.31Å; R32-I36 PolarHBondContact O-N 2.9Å; L34-I36 VanDerWaalsContact C-N 3.31Å; L34-I36 PolarHBondContact O-N 3.16Å; I36-N38 PolarHBondContact O-N 2.95Å; I36-S39 PolarHBondContact O-N 3.49Å; I36-S39 PolarHBondContact O-OG 3.25Å; I36-L40 HydrophobicContact CG2-CD1 4.38Å; I36-L40 PolarHBondContact O-N 2.94Å; I36-L40 VanDerWaalsContact O-N 3.1Å |
| 37 | L | 47.3 | Very low | 46.4 | Very low | 33 Ų | 33 | 97 Ų | 97 | 17% | 0.173 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -64.9 | -31.3 | 178.2 | -77 | 170.1 | 0 | 0 | 0 | 112.2 | R33 L34 L40 A41 Y214 L216 | R33-L37 VanDerWaalsContact O-CB 3.26Å; R33-L37 WeakPolarHBondContact O-CB 3.43Å; R33-L37 WeakPolarHBondContact O-CD1 3.46Å; R33-L37 WeakPolarHBondContact O-CG 3.3Å; R33-L37 PolarHBondContact O-N 2.85Å; L34-L37 PolarHBondContact O-N 3.16Å; L37-L40 PolarHBondContact O-N 3.43Å; L37-A41 VanDerWaalsContact O-CB 3.29Å; L37-A41 WeakPolarHBondContact O-CB 3.33Å; L37-A41 PolarHBondContact O-N 2.9Å; L37-Y214 HydrophobicContact CD1-CD1 4.13Å; L37-Y214 HydrophobicContact CD1-CD2 4.39Å; L37-Y214 HydrophobicContact CD1-CG 3.98Å; L37-Y214 VanDerWaalsContact CD2-CB 3.49Å; L37-Y214 HydrophobicContact CD2-CD2 4.18Å; L37-Y214 HydrophobicContact CD2-CG 4Å; L37-L216 HydrophobicContact CB-CD1 4.31Å |
| 38 | N | 42.6 | Very low | 46.9 | Very low | 99 Ų | 99 | 99.1 Ų | 99.1 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.7 | -30.8 | 176 | -153.1 | 42 | 0 | 0 | 0 | 112.4 | L34 I36 | L34-N38 WeakPolarHBondContact O-CB 3.43Å; L34-N38 PolarHBondContact O-N 3.02Å; I36-N38 PolarHBondContact O-N 2.95Å |
| 39 | S | 38.4 | Very low | 48.1 | Very low | 87 Ų | 87 | 94 Ų | 94 | 61% | 0.608 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -74.9 | -33.2 | 173.1 | 67.7 | 0 | 0 | 0 | 0 | 112.9 | C35 I36 | C35-S39 PolarHBondContact O-N 3.21Å; I36-S39 PolarHBondContact O-N 3.49Å; I36-S39 PolarHBondContact O-OG 3.25Å |
| 40 | L | 40 | Very low | 49.7 | Very low | 123 Ų | 123 | 92.3 Ų | 92.3 | 64% | 0.644 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -77.5 | -18.8 | 171.6 | -87.6 | 163.4 | 0 | 0 | 0 | 114.1 | I36 L37 A42 | I36-L40 HydrophobicContact CG2-CD1 4.38Å; I36-L40 PolarHBondContact O-N 2.94Å; I36-L40 VanDerWaalsContact O-N 3.1Å; L37-L40 PolarHBondContact O-N 3.43Å; L40-A42 PolarHBondContact O-N 2.84Å |
| 41 | A | 37.5 | Very low | 51.2 | Low | 24 Ų | 24 | 93.3 Ų | 93.3 | 20% | 0.198 | 50% | 0.495 | C | S | . | . | G | 310 helix | trans | -66.3 | -16.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L37 E43 L216 | L37-A41 VanDerWaalsContact O-CB 3.29Å; L37-A41 WeakPolarHBondContact O-CB 3.33Å; L37-A41 PolarHBondContact O-N 2.9Å; A41-E43 PolarHBondContact O-N 3.39Å; A41-L216 HydrophobicContact CB-CB 4.44Å; A41-L216 HydrophobicContact CB-CD1 4.45Å; A41-L216 HydrophobicContact CB-CD2 3.94Å |
| 42 | A | 35.9 | Very low | 53.1 | Low | 88 Ų | 88 | 92.4 Ų | 92.4 | 73% | 0.727 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -59.5 | -25.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L40 | L40-A42 PolarHBondContact O-N 2.84Š|
| 43 | E | 36.8 | Very low | 54.9 | Low | 181 Ų | 181 | 87 Ų | 87 | 85% | 0.846 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -125.8 | 24.1 | -174.9 | -63.7 | -167.6 | 119.5 | 0 | 0 | 114.2 | A41 P45 | A41-E43 PolarHBondContact O-N 3.39Å; E43-P45 WeakPolarHBondContact O-CD 3.47Å |
| 44 | V | 38.1 | Very low | 56.5 | Low | 55 Ų | 55 | 81.2 Ų | 81.2 | 33% | 0.333 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -77 | 124.7 | 175.7 | -179.1 | 0 | 0 | 0 | 0 | 111 | R46 L216 | V44-R46 PolarHBondContact O-N 2.64Å; V44-L216 WeakPolarHBondContact CG1-O 3.47Å |
| 45 | P | 38.2 | Very low | 58.4 | Low | 116 Ų | 116 | 79 Ų | 79 | 75% | 0.753 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 122.3 | -178 | -25.4 | 35.3 | 0 | 0 | 0 | 113.8 | E43 | E43-P45 WeakPolarHBondContact O-CD 3.47Š|
| 46 | R | 47.9 | Very low | 60.8 | Low | 100 Ų | 100 | 80.7 Ų | 80.7 | 38% | 0.377 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 151.7 | 161.4 | -65.3 | 174.7 | 176.2 | -113.2 | -14.8 | 109.4 | V44 S48 H116 D220 | V44-R46 PolarHBondContact O-N 2.64Å; R46-S48 PolarHBondContact O-N 3.35Å; R46-H116 VanDerWaalsContact CZ-NE2 3.33Å; R46-H116 PolarHBondContact NH1-CE1 3.47Å; R46-H116 PolarHBondContact NH1-NE2 3.44Å; R46-H116 PolarHBondContact NH2-CE1 2.96Å; R46-D220 IonicContact CZ-OD2 3.18Å; R46-D220 IonicContact NH1-OD2 2.71Å; R46-D220 PolarHBondContact NH1-OD2 2.79Å; R46-D220 IonicContact NH2-OD2 2.72Å; R46-D220 PolarHBondContact NH2-OD2 3.38Å |
| 47 | R | 54.6 | Low | 62.9 | Low | 202 Ų | 202 | 76.6 Ų | 76.6 | 76% | 0.762 | 44% | 0.444 | S | S | * | . | trans | -71.7 | 72 | 171 | -78.3 | -163.8 | -179.7 | 119.8 | 1.6 | 110.8 | ||||
| 48 | S | 63.2 | Low | 65.1 | Low | 75 Ų | 75 | 78.7 Ų | 78.7 | 52% | 0.524 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 146.8 | -176.2 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | R46 S50 E113 | R46-S48 PolarHBondContact O-N 3.35Å; S48-S50 PolarHBondContact O-N 3.19Å; S48-E113 VanDerWaalsContact CA-OE1 3.29Å; S48-E113 WeakPolarHBondContact CA-OE1 3.34Å |
| 49 | L | 74.3 | Confident | 67.6 | Low | 9 Ų | 9 | 78.1 Ų | 78.1 | 5% | 0.047 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 128.7 | 172.4 | -141.8 | 71.2 | 0 | 0 | 0 | 108.2 | R54 E113 P291 N292 Y295 | L49-R54 PolarHBondContact O-NH1 3.24Å; L49-E113 VanDerWaalsContact CB-OE2 3.26Å; L49-E113 WeakPolarHBondContact CB-OE2 3.22Å; L49-E113 PolarHBondContact N-OE1 2.88Å; L49-E113 PolarHBondContact N-OE2 3.04Å; L49-P291 HydrophobicContact CD1-CB 4.35Å; L49-N292 WeakPolarHBondContact CA-OD1 3.48Å; L49-Y295 HydrophobicContact CD1-CG 4.41Å; L49-Y295 HydrophobicContact CD2-CD1 3.63Å; L49-Y295 HydrophobicContact CD2-CD2 4.38Å; L49-Y295 HydrophobicContact CD2-CE1 4.03Å; L49-Y295 HydrophobicContact CD2-CG 3.83Å; L49-Y295 HydrophobicContact CG-CD1 4.36Å |
| 50 | S | 85.8 | Confident | 70.4 | Confident | 47 Ų | 47 | 78.1 Ų | 78.1 | 33% | 0.329 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 123.9 | -178.7 | 169.5 | 0 | 0 | 0 | 0 | 109.6 | S48 A52 L53 R54 N292 | S48-S50 PolarHBondContact O-N 3.19Å; S50-A52 PolarHBondContact O-N 2.67Å; S50-L53 WeakPolarHBondContact O-CB 3.46Å; S50-L53 PolarHBondContact O-N 3.39Å; S50-R54 PolarHBondContact O-N 3.47Å; S50-N292 PolarHBondContact N-OD1 3.48Å |
| 51 | P | 86.6 | Confident | 73 | Confident | 102 Ų | 102 | 72.3 Ų | 72.3 | 66% | 0.662 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.5 | -30.7 | -177.5 | 24.1 | -33 | 0 | 0 | 0 | 111.4 | A55 | P51-A55 WeakPolarHBondContact O-CB 3.38Å; P51-A55 PolarHBondContact O-N 2.83Å |
| 52 | A | 91 | Very high | 75.8 | Confident | 66 Ų | 66 | 74 Ų | 74 | 55% | 0.545 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66 | -44.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S50 A55 V56 | S50-A52 PolarHBondContact O-N 2.67Å; A52-A55 PolarHBondContact O-N 2.91Å; A52-V56 WeakPolarHBondContact O-CG2 3.35Å; A52-V56 PolarHBondContact O-N 3.12Å |
| 53 | L | 90.4 | Very high | 78.7 | Confident | 35 Ų | 35 | 72.6 Ų | 72.6 | 18% | 0.183 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 175.5 | 176.9 | 64.9 | 0 | 0 | 0 | 111.2 | S50 A55 V56 V57 N292 Y295 | S50-L53 WeakPolarHBondContact O-CB 3.46Å; S50-L53 PolarHBondContact O-N 3.39Å; L53-A55 VanDerWaalsContact C-N 3.32Å; L53-A55 PolarHBondContact O-N 3.36Å; L53-V56 PolarHBondContact O-N 2.96Å; L53-V57 HydrophobicContact CD1-CG2 3.99Å; L53-V57 HydrophobicContact CG-CG2 4.46Å; L53-V57 WeakPolarHBondContact O-CG2 3.35Å; L53-V57 PolarHBondContact O-N 3.39Å; L53-N292 HydrophobicContact CD2-CB 4.02Å; L53-N292 VanDerWaalsContact CD2-O 3.27Å; L53-N292 WeakPolarHBondContact CD2-O 3.45Å; L53-Y295 HydrophobicContact CD2-CD1 4.33Å; L53-Y295 HydrophobicContact CG-CD1 4.48Å |
| 54 | R | 89.9 | Confident | 81.6 | Confident | 18 Ų | 18 | 64 Ų | 64 | 7% | 0.068 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57 | -46.2 | 176.9 | -177.2 | 179.4 | -85.5 | 122.7 | -8.1 | 110.7 | L49 S50 W58 A110 E113 | L49-R54 PolarHBondContact O-NH1 3.24Å; S50-R54 PolarHBondContact O-N 3.47Å; R54-W58 HydrophobicContact CG-CD2 4.01Å; R54-W58 HydrophobicContact CG-CG 4.4Å; R54-W58 HydrophobicContact CG-CH2 4.49Å; R54-W58 HydrophobicContact CG-CZ2 3.91Å; R54-W58 VanDerWaalsContact O-CB 3.24Å; R54-W58 WeakPolarHBondContact O-CB 3.48Å; R54-W58 VanDerWaalsContact O-CD1 3.3Å; R54-W58 PolarHBondContact O-N 3.07Å; R54-A110 PolarHBondContact NE-O 2.95Å; R54-A110 VanDerWaalsContact NE-O 3.12Å; R54-A110 PolarHBondContact NH2-O 3.39Å; R54-E113 IonicContact CZ-OE2 3.39Å; R54-E113 IonicContact NH1-OE2 3.13Å; R54-E113 PolarHBondContact NH1-OE2 2.78Å; R54-E113 VanDerWaalsContact NH1-OE2 3.13Å; R54-E113 IonicContact NH2-OE2 2.7Å; R54-E113 PolarHBondContact NH2-OE2 3.2Å |
| 55 | A | 92.2 | Very high | 84.3 | Confident | 52 Ų | 52 | 63.6 Ų | 63.6 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P51 A52 L53 W58 T59 | P51-A55 WeakPolarHBondContact O-CB 3.38Å; P51-A55 PolarHBondContact O-N 2.83Å; A52-A55 PolarHBondContact O-N 2.91Å; L53-A55 VanDerWaalsContact C-N 3.32Å; L53-A55 PolarHBondContact O-N 3.36Å; A55-W58 PolarHBondContact O-N 2.99Å; A55-T59 WeakPolarHBondContact O-CG2 3.28Å; A55-T59 PolarHBondContact O-N 3.45Å; A55-T59 PolarHBondContact O-OG1 3.4Å |
| 56 | V | 95 | Very high | 87.1 | Confident | 83 Ų | 83 | 63.4 Ų | 63.4 | 50% | 0.503 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 178.6 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | A52 L53 W58 T59 M60 | A52-V56 WeakPolarHBondContact O-CG2 3.35Å; A52-V56 PolarHBondContact O-N 3.12Å; L53-V56 PolarHBondContact O-N 2.96Å; V56-W58 VanDerWaalsContact C-N 3.34Å; V56-W58 PolarHBondContact O-N 2.81Å; V56-T59 PolarHBondContact O-N 3.04Å; V56-T59 PolarHBondContact O-OG1 2.94Å; V56-M60 VanDerWaalsContact O-CG 3.31Å; V56-M60 WeakPolarHBondContact O-CG 3.41Å; V56-M60 PolarHBondContact O-N 3.49Å; V56-M60 VanDerWaalsContact O-N 3.13Å |
| 57 | V | 94.3 | Very high | 89.4 | Confident | 14 Ų | 14 | 61.2 Ų | 61.2 | 9% | 0.085 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.9 | -37.4 | 179.2 | 179.3 | 0 | 0 | 0 | 0 | 111 | L53 M60 L61 Y295 A299 | L53-V57 HydrophobicContact CD1-CG2 3.99Å; L53-V57 HydrophobicContact CG-CG2 4.46Å; L53-V57 WeakPolarHBondContact O-CG2 3.35Å; L53-V57 PolarHBondContact O-N 3.39Å; V57-M60 PolarHBondContact O-N 3.05Å; V57-L61 HydrophobicContact CG1-CD1 3.88Å; V57-L61 HydrophobicContact CG1-CG 4.19Å; V57-L61 WeakPolarHBondContact O-CB 3.41Å; V57-L61 VanDerWaalsContact O-CG 3.32Å; V57-L61 WeakPolarHBondContact O-CG 3.42Å; V57-L61 PolarHBondContact O-N 3.11Å; V57-Y295 HydrophobicContact CB-CE1 3.79Å; V57-Y295 HydrophobicContact CG1-CE1 3.79Å; V57-Y295 WeakPolarHBondContact CG1-OH 3.31Å; V57-Y295 HydrophobicContact CG2-CE1 3.86Å; V57-A299 HydrophobicContact CG1-CB 3.57Å |
| 58 | W | 94.6 | Very high | 91.4 | Very high | 76 Ų | 76 | 51.7 Ų | 51.7 | 29% | 0.288 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 175.8 | -76.3 | 12.4 | 0 | 0 | 0 | 113.2 | R54 A55 V56 S62 F107 A110 M111 | R54-W58 HydrophobicContact CG-CD2 4.01Å; R54-W58 HydrophobicContact CG-CG 4.4Å; R54-W58 HydrophobicContact CG-CH2 4.49Å; R54-W58 HydrophobicContact CG-CZ2 3.91Å; R54-W58 VanDerWaalsContact O-CB 3.24Å; R54-W58 WeakPolarHBondContact O-CB 3.48Å; R54-W58 VanDerWaalsContact O-CD1 3.3Å; R54-W58 PolarHBondContact O-N 3.07Å; A55-W58 PolarHBondContact O-N 2.99Å; V56-W58 VanDerWaalsContact C-N 3.34Å; V56-W58 PolarHBondContact O-N 2.81Å; W58-S62 VanDerWaalsContact O-CB 3.27Å; W58-S62 WeakPolarHBondContact O-CB 3.48Å; W58-S62 PolarHBondContact O-N 3.24Å; W58-S62 PolarHBondContact O-OG 3.23Å; W58-F107 HydrophobicContact CB-CE1 3.78Å; W58-F107 AromaticContact CD1-CD1 3.67Å; W58-F107 AromaticContact CD1-CE1 3.78Å; W58-F107 HydrophobicContact CD2-CD1 4.12Å; W58-F107 HydrophobicContact CD2-CE1 4.09Å; W58-F107 AromaticContact CG-CD1 3.88Å; W58-F107 HydrophobicContact CG-CD1 3.88Å; W58-F107 AromaticContact CG-CE1 3.61Å; W58-F107 HydrophobicContact CG-CE1 3.61Å; W58-F107 AromaticContact NE1-CD1 3.75Å; W58-A110 HydrophobicContact CZ2-CB 4.12Å; W58-M111 HydrophobicContact CH2-SD 3.9Å; W58-M111 HydrophobicContact CZ2-SD 3.75Å |
| 59 | T | 95.8 | Very high | 92.9 | Very high | 87 Ų | 87 | 54 Ų | 54 | 53% | 0.534 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.7 | -39.6 | 174.7 | 55.9 | 0 | 0 | 0 | 0 | 111.6 | A55 V56 S62 S63 | A55-T59 WeakPolarHBondContact O-CG2 3.28Å; A55-T59 PolarHBondContact O-N 3.45Å; A55-T59 PolarHBondContact O-OG1 3.4Å; V56-T59 PolarHBondContact O-N 3.04Å; V56-T59 PolarHBondContact O-OG1 2.94Å; T59-S62 PolarHBondContact O-N 2.92Å; T59-S63 PolarHBondContact O-N 3.22Å |
| 60 | M | 95.4 | Very high | 93.8 | Very high | 88 Ų | 88 | 56.8 Ų | 56.8 | 43% | 0.433 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.1 | -53.6 | 174.2 | -67.6 | -66.4 | 163.9 | 0 | 0 | 111.5 | V56 V57 S62 S63 G64 F303 | V56-M60 VanDerWaalsContact O-CG 3.31Å; V56-M60 WeakPolarHBondContact O-CG 3.41Å; V56-M60 PolarHBondContact O-N 3.49Å; V56-M60 VanDerWaalsContact O-N 3.13Å; V57-M60 PolarHBondContact O-N 3.05Å; M60-S62 VanDerWaalsContact C-N 3.31Å; M60-S62 PolarHBondContact O-N 2.99Å; M60-S63 PolarHBondContact O-N 2.99Å; M60-S63 VanDerWaalsContact O-N 3.1Å; M60-S63 PolarHBondContact O-OG 2.86Å; M60-G64 PolarHBondContact O-N 2.97Å; M60-F303 HydrophobicContact CB-CD1 4.25Å; M60-F303 HydrophobicContact CB-CD2 4.28Å; M60-F303 HydrophobicContact CB-CE1 4.08Å; M60-F303 HydrophobicContact CB-CE2 4.13Å; M60-F303 HydrophobicContact CB-CG 4.35Å; M60-F303 HydrophobicContact CB-CZ 4.02Å; M60-F303 HydrophobicContact CG-CE1 4.39Å; M60-F303 WeakPolarHBondContact O-CE2 3.37Å; M60-F303 HydrophobicContact SD-CE1 3.93Å; M60-F303 HydrophobicContact SD-CZ 3.97Å |
| 61 | L | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.8 | -38.9 | 177.4 | -67.1 | 172.4 | 0 | 0 | 0 | 112.3 | V57 S63 G64 I65 Y103 G106 F107 F303 | V57-L61 HydrophobicContact CG1-CD1 3.88Å; V57-L61 HydrophobicContact CG1-CG 4.19Å; V57-L61 WeakPolarHBondContact O-CB 3.41Å; V57-L61 VanDerWaalsContact O-CG 3.32Å; V57-L61 WeakPolarHBondContact O-CG 3.42Å; V57-L61 PolarHBondContact O-N 3.11Å; L61-S63 PolarHBondContact O-N 3.16Å; L61-G64 PolarHBondContact O-N 3.3Å; L61-I65 WeakPolarHBondContact O-CG1 3.29Å; L61-I65 PolarHBondContact O-N 2.89Å; L61-Y103 HydrophobicContact CD2-CD1 3.88Å; L61-G106 VanDerWaalsContact CD1-C 3.43Å; L61-F107 HydrophobicContact CB-CD2 4.05Å; L61-F107 HydrophobicContact CB-CE1 4.45Å; L61-F107 HydrophobicContact CB-CE2 3.38Å; L61-F107 HydrophobicContact CB-CZ 3.63Å; L61-F107 HydrophobicContact CD1-CD2 4.11Å; L61-F107 HydrophobicContact CD1-CE2 4.25Å; L61-F107 HydrophobicContact CD1-CG 4.31Å; L61-F107 HydrophobicContact CG-CE2 4.45Å; L61-F303 HydrophobicContact CD2-CB 4.26Å |
| 62 | S | 96.5 | Very high | 94.6 | Very high | 61 Ų | 61 | 52.2 Ų | 52.2 | 43% | 0.427 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 174.1 | -60 | 0 | 0 | 0 | 0 | 111.9 | W58 T59 M60 G64 I65 L66 | W58-S62 VanDerWaalsContact O-CB 3.27Å; W58-S62 WeakPolarHBondContact O-CB 3.48Å; W58-S62 PolarHBondContact O-N 3.24Å; W58-S62 PolarHBondContact O-OG 3.23Å; T59-S62 PolarHBondContact O-N 2.92Å; M60-S62 VanDerWaalsContact C-N 3.31Å; M60-S62 PolarHBondContact O-N 2.99Å; S62-G64 VanDerWaalsContact C-N 3.3Å; S62-G64 PolarHBondContact O-N 3.35Å; S62-I65 PolarHBondContact O-N 2.98Å; S62-L66 WeakPolarHBondContact O-CB 3.44Å; S62-L66 PolarHBondContact O-N 3.32Å |
| 63 | S | 96.3 | Very high | 94.6 | Very high | 57 Ų | 57 | 52.2 Ų | 52.2 | 40% | 0.399 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.3 | -35.1 | 176.6 | 78.6 | 0 | 0 | 0 | 0 | 112.3 | T59 M60 L61 L66 L67 | T59-S63 PolarHBondContact O-N 3.22Å; M60-S63 PolarHBondContact O-N 2.99Å; M60-S63 VanDerWaalsContact O-N 3.1Å; M60-S63 PolarHBondContact O-OG 2.86Å; L61-S63 PolarHBondContact O-N 3.16Å; S63-L66 PolarHBondContact O-N 3.4Å; S63-L67 WeakPolarHBondContact O-CB 3.34Å; S63-L67 PolarHBondContact O-N 2.85Å |
| 64 | G | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M60 L61 S62 L67 A68 Y103 | M60-G64 PolarHBondContact O-N 2.97Å; L61-G64 PolarHBondContact O-N 3.3Å; S62-G64 VanDerWaalsContact C-N 3.3Å; S62-G64 PolarHBondContact O-N 3.35Å; G64-L67 PolarHBondContact O-N 3.4Å; G64-A68 WeakPolarHBondContact O-CB 3.33Å; G64-A68 PolarHBondContact O-N 2.9Å; G64-Y103 WeakPolarHBondContact O-CE2 3.48Å |
| 65 | I | 96.7 | Very high | 94.6 | Very high | 47 Ų | 47 | 50.7 Ų | 50.7 | 24% | 0.241 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 175 | -66.6 | 175.3 | 0 | 0 | 0 | 110.7 | L61 S62 L67 A68 F69 Y103 I104 F107 | L61-I65 WeakPolarHBondContact O-CG1 3.29Å; L61-I65 PolarHBondContact O-N 2.89Å; S62-I65 PolarHBondContact O-N 2.98Å; I65-L67 VanDerWaalsContact C-N 3.35Å; I65-L67 PolarHBondContact O-N 2.87Å; I65-A68 PolarHBondContact O-N 3.1Å; I65-F69 WeakPolarHBondContact O-CB 3.49Å; I65-F69 PolarHBondContact O-N 3.02Å; I65-Y103 VanDerWaalsContact CG1-CB 3.44Å; I65-Y103 HydrophobicContact CG1-CD2 3.77Å; I65-Y103 HydrophobicContact CG1-CG 3.91Å; I65-I104 HydrophobicContact CD1-CG1 4.48Å; I65-F107 HydrophobicContact CD1-CD2 4.3Å; I65-F107 HydrophobicContact CD1-CE2 3.74Å |
| 66 | L | 96.4 | Very high | 94.5 | Very high | 112 Ų | 112 | 52.8 Ų | 52.8 | 59% | 0.586 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.9 | -44.6 | 178.2 | -177.1 | 63.9 | 0 | 0 | 0 | 111.5 | S62 S63 F69 C70 | S62-L66 WeakPolarHBondContact O-CB 3.44Å; S62-L66 PolarHBondContact O-N 3.32Å; S63-L66 PolarHBondContact O-N 3.4Å; L66-F69 PolarHBondContact O-N 3.47Å; L66-C70 PolarHBondContact O-N 3.34Å; L66-C70 PolarHBondContact O-SG 3.39Å |
| 67 | L | 95.5 | Very high | 94.2 | Very high | 54 Ų | 54 | 57.8 Ų | 57.8 | 28% | 0.283 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 176.4 | -176.1 | 66.8 | 0 | 0 | 0 | 112.2 | S63 G64 I65 F69 C70 F71 L307 | S63-L67 WeakPolarHBondContact O-CB 3.34Å; S63-L67 PolarHBondContact O-N 2.85Å; G64-L67 PolarHBondContact O-N 3.4Å; I65-L67 VanDerWaalsContact C-N 3.35Å; I65-L67 PolarHBondContact O-N 2.87Å; L67-F69 VanDerWaalsContact C-N 3.32Å; L67-F69 PolarHBondContact O-N 3.21Å; L67-C70 PolarHBondContact O-N 2.95Å; L67-F71 HydrophobicContact CD1-CD2 4.5Å; L67-F71 HydrophobicContact CD1-CE1 4.31Å; L67-F71 HydrophobicContact CD1-CE2 3.88Å; L67-F71 HydrophobicContact CD1-CZ 3.76Å; L67-F71 HydrophobicContact CD2-CE2 3.96Å; L67-F71 HydrophobicContact CD2-CZ 4.39Å; L67-F71 HydrophobicContact CG-CD2 4.12Å; L67-F71 HydrophobicContact CG-CE2 3.61Å; L67-F71 HydrophobicContact CG-CZ 4.04Å; L67-F71 WeakPolarHBondContact O-CD2 3.27Å; L67-F71 PolarHBondContact O-N 3.29Å; L67-L307 HydrophobicContact CD2-CD1 3.37Å |
| 68 | A | 95.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G64 I65 F71 L72 L96 V100 Y103 | G64-A68 WeakPolarHBondContact O-CB 3.33Å; G64-A68 PolarHBondContact O-N 2.9Å; I65-A68 PolarHBondContact O-N 3.1Å; A68-F71 PolarHBondContact O-N 3.25Å; A68-L72 WeakPolarHBondContact O-CB 3.45Å; A68-L72 PolarHBondContact O-N 3.11Å; A68-L96 HydrophobicContact CB-CD2 4.35Å; A68-V100 HydrophobicContact CB-CG2 4.11Å; A68-Y103 HydrophobicContact CB-CE2 4.35Å |
| 69 | F | 95.2 | Very high | 93 | Very high | 123 Ų | 123 | 60 Ų | 60 | 54% | 0.539 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 174.5 | -172.2 | -99.6 | 0 | 0 | 0 | 112.1 | I65 L66 L67 F71 L72 V73 | I65-F69 WeakPolarHBondContact O-CB 3.49Å; I65-F69 PolarHBondContact O-N 3.02Å; L66-F69 PolarHBondContact O-N 3.47Å; L67-F69 VanDerWaalsContact C-N 3.32Å; L67-F69 PolarHBondContact O-N 3.21Å; F69-F71 PolarHBondContact O-N 3.17Å; F69-L72 WeakPolarHBondContact O-CB 3.5Å; F69-L72 PolarHBondContact O-N 2.99Å; F69-L72 VanDerWaalsContact O-N 3.12Å; F69-V73 HydrophobicContact CD1-CG2 4Å; F69-V73 HydrophobicContact CE1-CG2 3.58Å; F69-V73 HydrophobicContact CE2-CG2 4.4Å; F69-V73 HydrophobicContact CZ-CG2 3.81Å; F69-V73 WeakPolarHBondContact O-CG2 3.4Å; F69-V73 PolarHBondContact O-N 2.93Å |
| 70 | C | 94.7 | Very high | 92 | Very high | 68 Ų | 68 | 62.6 Ų | 62.6 | 46% | 0.459 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.2 | -45.2 | 173 | -71.6 | 0 | 0 | 0 | 0 | 112.1 | L66 L67 L72 V73 F74 | L66-C70 PolarHBondContact O-N 3.34Å; L66-C70 PolarHBondContact O-SG 3.39Å; L67-C70 PolarHBondContact O-N 2.95Å; C70-L72 VanDerWaalsContact C-N 3.3Å; C70-L72 PolarHBondContact O-N 3.45Å; C70-V73 PolarHBondContact O-N 3.45Å; C70-F74 WeakPolarHBondContact O-CB 3.5Å; C70-F74 PolarHBondContact O-N 3.03Å |
| 71 | F | 93.8 | Very high | 91.2 | Very high | 15 Ų | 15 | 61.3 Ų | 61.3 | 7% | 0.066 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.5 | -29.7 | 174.1 | -66.4 | -35.9 | 0 | 0 | 0 | 113.1 | L67 A68 F69 T75 L96 N310 F314 V315 | L67-F71 HydrophobicContact CD1-CD2 4.5Å; L67-F71 HydrophobicContact CD1-CE1 4.31Å; L67-F71 HydrophobicContact CD1-CE2 3.88Å; L67-F71 HydrophobicContact CD1-CZ 3.76Å; L67-F71 HydrophobicContact CD2-CE2 3.96Å; L67-F71 HydrophobicContact CD2-CZ 4.39Å; L67-F71 HydrophobicContact CG-CD2 4.12Å; L67-F71 HydrophobicContact CG-CE2 3.61Å; L67-F71 HydrophobicContact CG-CZ 4.04Å; L67-F71 WeakPolarHBondContact O-CD2 3.27Å; L67-F71 PolarHBondContact O-N 3.29Å; A68-F71 PolarHBondContact O-N 3.25Å; F69-F71 PolarHBondContact O-N 3.17Å; F71-T75 VanDerWaalsContact O-CB 3.3Å; F71-T75 WeakPolarHBondContact O-CB 3.48Å; F71-T75 PolarHBondContact O-N 2.76Å; F71-T75 PolarHBondContact O-OG1 2.83Å; F71-L96 HydrophobicContact CB-CD1 4.03Å; F71-L96 HydrophobicContact CB-CD2 3.79Å; F71-L96 HydrophobicContact CD2-CD2 4.47Å; F71-N310 HydrophobicContact CD2-CB 4.4Å; F71-N310 HydrophobicContact CE2-CB 4.31Å; F71-F314 HydrophobicContact CB-CB 4.38Å; F71-F314 HydrophobicContact CB-CD1 4.25Å; F71-F314 HydrophobicContact CB-CD2 4.35Å; F71-F314 HydrophobicContact CB-CG 4.06Å; F71-F314 HydrophobicContact CD1-CB 3.71Å; F71-F314 HydrophobicContact CD1-CG 4.32Å; F71-F314 HydrophobicContact CD2-CB 3.84Å; F71-F314 HydrophobicContact CD2-CD2 4.04Å; F71-F314 HydrophobicContact CD2-CG 4.06Å; F71-F314 HydrophobicContact CE1-CB 3.82Å; F71-F314 HydrophobicContact CE2-CB 3.95Å; F71-F314 HydrophobicContact CG-CB 3.73Å; F71-F314 HydrophobicContact CG-CD1 4.5Å; F71-F314 HydrophobicContact CG-CD2 4.28Å; F71-F314 AromaticContact CG-CG 3.92Å; F71-F314 HydrophobicContact CG-CG 3.92Å; F71-F314 HydrophobicContact CZ-CB 3.94Å; F71-V315 HydrophobicContact CZ-CG2 4.4Å |
| 72 | L | 93.4 | Very high | 90 | Very high | 39 Ų | 39 | 72.3 Ų | 72.3 | 20% | 0.204 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.9 | -49.2 | 175 | -178.7 | 63.2 | 0 | 0 | 0 | 111.2 | A68 F69 C70 F74 T75 L76 V93 L96 | A68-L72 WeakPolarHBondContact O-CB 3.45Å; A68-L72 PolarHBondContact O-N 3.11Å; F69-L72 WeakPolarHBondContact O-CB 3.5Å; F69-L72 PolarHBondContact O-N 2.99Å; F69-L72 VanDerWaalsContact O-N 3.12Å; C70-L72 VanDerWaalsContact C-N 3.3Å; C70-L72 PolarHBondContact O-N 3.45Å; L72-F74 VanDerWaalsContact C-N 3.31Å; L72-F74 PolarHBondContact O-N 3.4Å; L72-T75 PolarHBondContact O-N 2.95Å; L72-L76 HydrophobicContact CD1-CD1 4.11Å; L72-L76 HydrophobicContact CD1-CG 4.27Å; L72-L76 HydrophobicContact CG-CD1 4.02Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 VanDerWaalsContact O-CG 3.3Å; L72-L76 WeakPolarHBondContact O-CG 3.33Å; L72-L76 PolarHBondContact O-N 3.43Å; L72-V93 HydrophobicContact CD1-CB 4.33Å; L72-V93 HydrophobicContact CD1-CG1 4Å; L72-V93 HydrophobicContact CD1-CG2 4.02Å; L72-L96 HydrophobicContact CB-CD1 4.1Å; L72-L96 HydrophobicContact CD1-CD1 4.37Å |
| 73 | V | 92.4 | Very high | 88.8 | Confident | 65 Ų | 65 | 71 Ų | 71 | 39% | 0.394 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.4 | -43 | 175.5 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | F69 C70 L76 R77 | F69-V73 HydrophobicContact CD1-CG2 4Å; F69-V73 HydrophobicContact CE1-CG2 3.58Å; F69-V73 HydrophobicContact CE2-CG2 4.4Å; F69-V73 HydrophobicContact CZ-CG2 3.81Å; F69-V73 WeakPolarHBondContact O-CG2 3.4Å; F69-V73 PolarHBondContact O-N 2.93Å; C70-V73 PolarHBondContact O-N 3.45Å; V73-L76 PolarHBondContact O-N 2.96Å; V73-R77 HydrophobicContact CG1-CG 4.16Å; V73-R77 VanDerWaalsContact O-CB 3.3Å; V73-R77 WeakPolarHBondContact O-CB 3.44Å; V73-R77 WeakPolarHBondContact O-CG 3.39Å; V73-R77 PolarHBondContact O-N 3.43Å |
| 74 | F | 90.4 | Very high | 87.6 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 9% | 0.092 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.5 | -51.9 | 172.4 | 175.4 | -97.9 | 0 | 0 | 0 | 112.1 | C70 L72 L76 R77 F78 V84 L318 W321 | C70-F74 WeakPolarHBondContact O-CB 3.5Å; C70-F74 PolarHBondContact O-N 3.03Å; L72-F74 VanDerWaalsContact C-N 3.31Å; L72-F74 PolarHBondContact O-N 3.4Å; F74-L76 VanDerWaalsContact C-N 3.29Å; F74-L76 PolarHBondContact O-N 3.08Å; F74-R77 PolarHBondContact O-N 3.11Å; F74-F78 AromaticContact CD2-CD2 3.43Å; F74-F78 HydrophobicContact CD2-CD2 3.43Å; F74-F78 VanDerWaalsContact CD2-CD2 3.43Å; F74-F78 AromaticContact CD2-CE2 3.68Å; F74-F78 HydrophobicContact CD2-CE2 3.68Å; F74-F78 AromaticContact CE2-CD2 3.52Å; F74-F78 HydrophobicContact CE2-CD2 3.52Å; F74-F78 AromaticContact CE2-CE2 3.86Å; F74-F78 HydrophobicContact CE2-CE2 3.86Å; F74-F78 HydrophobicContact CE2-CG 4.47Å; F74-F78 HydrophobicContact CG-CD2 4.17Å; F74-F78 HydrophobicContact CZ-CD2 4.34Å; F74-F78 WeakPolarHBondContact O-CD2 3.46Å; F74-F78 PolarHBondContact O-N 3.43Å; F74-V84 HydrophobicContact CE1-CG2 4.38Å; F74-L318 HydrophobicContact CD2-CD1 3.82Å; F74-L318 HydrophobicContact CE2-CD1 3.48Å; F74-L318 VanDerWaalsContact CE2-CD1 3.48Å; F74-L318 HydrophobicContact CZ-CD1 3.92Å; F74-W321 HydrophobicContact CE2-CB 4.47Å; F74-W321 AromaticContact CE2-CD2 3.79Å; F74-W321 HydrophobicContact CE2-CD2 3.79Å; F74-W321 AromaticContact CE2-CE3 3.61Å; F74-W321 HydrophobicContact CE2-CE3 3.61Å; F74-W321 HydrophobicContact CE2-CG 4.16Å; F74-W321 HydrophobicContact CE2-CZ3 4.22Å; F74-W321 HydrophobicContact CZ-CB 4.01Å; F74-W321 HydrophobicContact CZ-CD2 4.21Å; F74-W321 HydrophobicContact CZ-CE3 4.27Å; F74-W321 HydrophobicContact CZ-CG 4.1Å |
| 75 | T | 89.8 | Confident | 86.7 | Confident | 1 Ų | 1 | 75.3 Ų | 75.3 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.9 | -36.9 | -179.7 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | F71 L72 K79 P89 N92 V93 | F71-T75 VanDerWaalsContact O-CB 3.3Å; F71-T75 WeakPolarHBondContact O-CB 3.48Å; F71-T75 PolarHBondContact O-N 2.76Å; F71-T75 PolarHBondContact O-OG1 2.83Å; L72-T75 PolarHBondContact O-N 2.95Å; T75-K79 WeakPolarHBondContact O-CA 3.45Å; T75-K79 WeakPolarHBondContact O-CB 3.47Å; T75-K79 PolarHBondContact O-N 2.94Å; T75-P89 HydrophobicContact CG2-CB 4.23Å; T75-N92 HydrophobicContact CG2-CB 3.72Å; T75-V93 HydrophobicContact CG2-CG2 3.85Å |
| 76 | L | 90.1 | Very high | 85.2 | Confident | 95 Ų | 95 | 79.5 Ų | 79.5 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -75.7 | -48 | 178.4 | -68.6 | 173.5 | 0 | 0 | 0 | 112.2 | L72 V73 F74 F78 K79 V93 | L72-L76 HydrophobicContact CD1-CD1 4.11Å; L72-L76 HydrophobicContact CD1-CG 4.27Å; L72-L76 HydrophobicContact CG-CD1 4.02Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 VanDerWaalsContact O-CG 3.3Å; L72-L76 WeakPolarHBondContact O-CG 3.33Å; L72-L76 PolarHBondContact O-N 3.43Å; V73-L76 PolarHBondContact O-N 2.96Å; F74-L76 VanDerWaalsContact C-N 3.29Å; F74-L76 PolarHBondContact O-N 3.08Å; L76-F78 VanDerWaalsContact C-N 3.35Å; L76-F78 PolarHBondContact O-N 2.95Å; L76-K79 WeakPolarHBondContact O-CB 3.27Å; L76-K79 PolarHBondContact O-N 3.35Å; L76-V93 HydrophobicContact CD2-CG2 4.04Å |
| 77 | R | 88.7 | Confident | 84 | Confident | 188 Ų | 188 | 75 Ų | 75 | 71% | 0.709 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.3 | -39.8 | -179.3 | -77.2 | -74.9 | -102.8 | 105.4 | -4.1 | 112.4 | V73 F74 | V73-R77 HydrophobicContact CG1-CG 4.16Å; V73-R77 VanDerWaalsContact O-CB 3.3Å; V73-R77 WeakPolarHBondContact O-CB 3.44Å; V73-R77 WeakPolarHBondContact O-CG 3.39Å; V73-R77 PolarHBondContact O-N 3.43Å; F74-R77 PolarHBondContact O-N 3.11Å |
| 78 | F | 81.8 | Confident | 83.2 | Confident | 48 Ų | 48 | 72.8 Ų | 72.8 | 21% | 0.211 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 13.3 | -176.6 | -60.1 | -64.2 | 0 | 0 | 0 | 113.9 | F74 L76 N80 N81 V84 W321 | F74-F78 AromaticContact CD2-CD2 3.43Å; F74-F78 HydrophobicContact CD2-CD2 3.43Å; F74-F78 VanDerWaalsContact CD2-CD2 3.43Å; F74-F78 AromaticContact CD2-CE2 3.68Å; F74-F78 HydrophobicContact CD2-CE2 3.68Å; F74-F78 AromaticContact CE2-CD2 3.52Å; F74-F78 HydrophobicContact CE2-CD2 3.52Å; F74-F78 AromaticContact CE2-CE2 3.86Å; F74-F78 HydrophobicContact CE2-CE2 3.86Å; F74-F78 HydrophobicContact CE2-CG 4.47Å; F74-F78 HydrophobicContact CG-CD2 4.17Å; F74-F78 HydrophobicContact CZ-CD2 4.34Å; F74-F78 WeakPolarHBondContact O-CD2 3.46Å; F74-F78 PolarHBondContact O-N 3.43Å; L76-F78 VanDerWaalsContact C-N 3.35Å; L76-F78 PolarHBondContact O-N 2.95Å; F78-N80 PolarHBondContact O-N 3.32Å; F78-N81 WeakPolarHBondContact CD1-ND2 2.94Å; F78-N81 WeakPolarHBondContact O-CB 3.31Å; F78-N81 PolarHBondContact O-N 3.31Å; F78-V84 HydrophobicContact CB-CG2 4.03Å; F78-V84 WeakPolarHBondContact O-CB 3.47Å; F78-W321 HydrophobicContact CD1-CZ2 4.37Å; F78-W321 AromaticContact CE1-CE2 3.99Å; F78-W321 HydrophobicContact CE1-CH2 4.47Å; F78-W321 AromaticContact CE1-CZ2 3.63Å; F78-W321 HydrophobicContact CE1-CZ2 3.63Å; F78-W321 HydrophobicContact CE2-CH2 4.05Å; F78-W321 AromaticContact CE2-CZ2 3.86Å; F78-W321 HydrophobicContact CE2-CZ2 3.86Å; F78-W321 AromaticContact CZ-CE2 3.91Å; F78-W321 AromaticContact CZ-CH2 3.73Å; F78-W321 HydrophobicContact CZ-CH2 3.73Å; F78-W321 AromaticContact CZ-CZ2 3.32Å; F78-W321 HydrophobicContact CZ-CZ2 3.32Å |
| 79 | K | 81.9 | Confident | 82.5 | Confident | 90 Ų | 90 | 73.2 Ų | 73.2 | 39% | 0.391 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -31.8 | -179.1 | -167 | 175.6 | 73.1 | 177.2 | 0 | 114.3 | T75 L76 P89 | T75-K79 WeakPolarHBondContact O-CA 3.45Å; T75-K79 WeakPolarHBondContact O-CB 3.47Å; T75-K79 PolarHBondContact O-N 2.94Å; L76-K79 WeakPolarHBondContact O-CB 3.27Å; L76-K79 PolarHBondContact O-N 3.35Å; K79-P89 HydrophobicContact CD-CB 4.46Å; K79-P89 HydrophobicContact CD-CG 4.36Å; K79-P89 HydrophobicContact CG-CB 3.84Å; K79-P89 HydrophobicContact CG-CG 3.71Å |
| 80 | N | 74.9 | Confident | 82.2 | Confident | 140 Ų | 140 | 71 Ų | 71 | 75% | 0.749 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -16.8 | -178.4 | -66.7 | -6.5 | 0 | 0 | 0 | 113.4 | F78 | F78-N80 PolarHBondContact O-N 3.32Š|
| 81 | N | 77.2 | Confident | 81.9 | Confident | 61 Ų | 61 | 67.7 Ų | 67.7 | 33% | 0.326 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -68.9 | 139.7 | -179.8 | -69.4 | 4.3 | 0 | 0 | 0 | 110.6 | F78 I83 V84 K85 | F78-N81 WeakPolarHBondContact CD1-ND2 2.94Å; F78-N81 WeakPolarHBondContact O-CB 3.31Å; F78-N81 PolarHBondContact O-N 3.31Å; N81-I83 PolarHBondContact O-N 3.43Å; N81-V84 PolarHBondContact O-N 2.99Å; N81-K85 VanDerWaalsContact O-CB 3.31Å; N81-K85 WeakPolarHBondContact O-CB 3.35Å; N81-K85 PolarHBondContact O-N 2.88Å |
| 82 | R | 72 | Confident | 81.7 | Confident | 231 Ų | 231 | 67 Ų | 67 | 87% | 0.872 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -50.5 | -37.4 | -175.8 | -174.8 | 176.4 | 176.6 | 179.1 | -1.8 | 113.6 | M86 | R82-M86 WeakPolarHBondContact O-CB 3.38Å; R82-M86 PolarHBondContact O-N 3.48Å; R82-M86 VanDerWaalsContact O-N 3.09Å |
| 83 | I | 71.6 | Confident | 81.7 | Confident | 34 Ų | 34 | 67.3 Ų | 67.3 | 17% | 0.174 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.7 | -57.4 | -179.3 | -53.1 | 149.8 | 0 | 0 | 0 | 110.8 | N81 K85 M86 S87 W321 F324 | N81-I83 PolarHBondContact O-N 3.43Å; I83-K85 VanDerWaalsContact C-N 3.29Å; I83-K85 PolarHBondContact O-N 3.02Å; I83-M86 WeakPolarHBondContact O-CB 3.5Å; I83-M86 PolarHBondContact O-N 2.89Å; I83-M86 VanDerWaalsContact O-N 3.07Å; I83-S87 PolarHBondContact O-N 3.2Å; I83-W321 HydrophobicContact CD1-CB 4.38Å; I83-F324 HydrophobicContact CD1-CB 3.84Å; I83-F324 HydrophobicContact CD1-CD2 3.31Å; I83-F324 HydrophobicContact CD1-CE2 4.06Å; I83-F324 HydrophobicContact CD1-CG 3.78Å; I83-F324 HydrophobicContact CG1-CD2 3.75Å; I83-F324 HydrophobicContact CG1-CE2 3.97Å; I83-F324 HydrophobicContact CG1-CG 4.46Å |
| 84 | V | 70.6 | Confident | 81.8 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.2 | -31.6 | -179 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | F74 F78 N81 M86 S87 P89 | F74-V84 HydrophobicContact CE1-CG2 4.38Å; F78-V84 HydrophobicContact CB-CG2 4.03Å; F78-V84 WeakPolarHBondContact O-CB 3.47Å; N81-V84 PolarHBondContact O-N 2.99Å; V84-M86 VanDerWaalsContact C-N 3.34Å; V84-S87 PolarHBondContact O-N 3.3Å; V84-S87 PolarHBondContact O-OG 3.41Å; V84-S87 VanDerWaalsContact O-OG 3.05Å; V84-P89 HydrophobicContact CG1-CB 4.11Å; V84-P89 WeakPolarHBondContact O-CD 3.38Å |
| 85 | K | 76.9 | Confident | 81.9 | Confident | 147 Ų | 147 | 64.9 Ų | 64.9 | 64% | 0.639 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.3 | -37.3 | 171.4 | -169.5 | 173.2 | -177.6 | 176.6 | 0 | 112.1 | N81 I83 | N81-K85 VanDerWaalsContact O-CB 3.31Å; N81-K85 WeakPolarHBondContact O-CB 3.35Å; N81-K85 PolarHBondContact O-N 2.88Å; I83-K85 VanDerWaalsContact C-N 3.29Å; I83-K85 PolarHBondContact O-N 3.02Å |
| 86 | M | 66.9 | Low | 82.2 | Confident | 136 Ų | 136 | 64.9 Ų | 64.9 | 67% | 0.67 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -69.4 | -35.4 | 176.7 | -166 | 68.5 | 177.8 | 0 | 0 | 112.3 | R82 I83 V84 S88 | R82-M86 WeakPolarHBondContact O-CB 3.38Å; R82-M86 PolarHBondContact O-N 3.48Å; R82-M86 VanDerWaalsContact O-N 3.09Å; I83-M86 WeakPolarHBondContact O-CB 3.5Å; I83-M86 PolarHBondContact O-N 2.89Å; I83-M86 VanDerWaalsContact O-N 3.07Å; V84-M86 VanDerWaalsContact C-N 3.34Å; M86-S88 PolarHBondContact O-N 3.29Å; M86-S88 VanDerWaalsContact O-N 3.12Å |
| 87 | S | 70.6 | Confident | 82.5 | Confident | 16 Ų | 16 | 64.7 Ų | 64.7 | 11% | 0.112 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 6.4 | 179.6 | 69 | 0 | 0 | 0 | 0 | 115 | I83 V84 N92 K147 Q317 | I83-S87 PolarHBondContact O-N 3.2Å; V84-S87 PolarHBondContact O-N 3.3Å; V84-S87 PolarHBondContact O-OG 3.41Å; V84-S87 VanDerWaalsContact O-OG 3.05Å; S87-N92 PolarHBondContact OG-ND2 3.42Å; S87-K147 WeakPolarHBondContact O-CE 3.41Å; S87-K147 PolarHBondContact O-NZ 2.89Å; S87-Q317 PolarHBondContact OG-OE1 3.08Å |
| 88 | S | 77.7 | Confident | 82.8 | Confident | 9 Ų | 9 | 55.8 Ų | 55.8 | 6% | 0.063 | 27% | 0.268 | C | S | . | . | trans | 60.7 | 79.6 | -179.8 | -54.6 | 0 | 0 | 0 | 0 | 112.3 | M86 N90 L91 N92 R150 | M86-S88 PolarHBondContact O-N 3.29Å; M86-S88 VanDerWaalsContact O-N 3.12Å; S88-N90 PolarHBondContact O-N 2.97Å; S88-L91 WeakPolarHBondContact O-CB 3.46Å; S88-L91 PolarHBondContact O-N 3.48Å; S88-L91 VanDerWaalsContact O-N 3.09Å; S88-N92 PolarHBondContact O-N 3.38Å; S88-R150 PolarHBondContact OG-NH1 3.33Å; S88-R150 VanDerWaalsContact OG-NH1 3.08Å | ||
| 89 | P | 82.8 | Confident | 83.5 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 7% | 0.065 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.7 | -31.6 | -163.1 | 24.9 | -32.4 | 0 | 0 | 0 | 113.8 | T75 K79 V84 L91 N92 V93 | T75-P89 HydrophobicContact CG2-CB 4.23Å; K79-P89 HydrophobicContact CD-CB 4.46Å; K79-P89 HydrophobicContact CD-CG 4.36Å; K79-P89 HydrophobicContact CG-CB 3.84Å; K79-P89 HydrophobicContact CG-CG 3.71Å; V84-P89 HydrophobicContact CG1-CB 4.11Å; V84-P89 WeakPolarHBondContact O-CD 3.38Å; P89-L91 PolarHBondContact O-N 3.3Å; P89-N92 WeakPolarHBondContact O-CB 3.38Å; P89-N92 PolarHBondContact O-N 3.47Å; P89-N92 VanDerWaalsContact O-N 3.12Å; P89-V93 WeakPolarHBondContact O-CG2 3.49Å; P89-V93 PolarHBondContact O-N 3.44Å |
| 90 | N | 88.3 | Confident | 84.2 | Confident | 75 Ų | 75 | 51 Ų | 51 | 40% | 0.401 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.7 | -32 | 176.2 | -61.4 | -6 | 0 | 0 | 0 | 111.7 | S88 L94 I172 | S88-N90 PolarHBondContact O-N 2.97Å; N90-L94 WeakPolarHBondContact O-CB 3.36Å; N90-L94 PolarHBondContact O-N 2.99Å; N90-L94 VanDerWaalsContact O-N 3.17Å; N90-I172 HydrophobicContact CB-CD1 4.04Å |
| 91 | L | 88.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -79.8 | -31.3 | 175.7 | -64.3 | 174.9 | 0 | 0 | 0 | 112.1 | S88 P89 L94 T95 P143 K147 L171 I172 | S88-L91 WeakPolarHBondContact O-CB 3.46Å; S88-L91 PolarHBondContact O-N 3.48Å; S88-L91 VanDerWaalsContact O-N 3.09Å; P89-L91 PolarHBondContact O-N 3.3Å; L91-L94 PolarHBondContact O-N 2.95Å; L91-T95 PolarHBondContact O-N 3.43Å; L91-T95 PolarHBondContact O-OG1 2.89Å; L91-P143 HydrophobicContact CB-CB 3.98Å; L91-P143 HydrophobicContact CD2-CB 4.03Å; L91-K147 HydrophobicContact CD1-CG 3.89Å; L91-L171 HydrophobicContact CD1-CB 4.43Å; L91-L171 HydrophobicContact CD1-CD2 3.68Å; L91-L171 HydrophobicContact CD1-CG 3.97Å; L91-I172 HydrophobicContact CD2-CG1 3.86Å |
| 92 | N | 90.6 | Very high | 86 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.9 | -47.1 | 168.4 | -80.6 | -11.1 | 0 | 0 | 0 | 111.3 | T75 S87 S88 P89 L94 T95 L96 K147 F314 Q317 | T75-N92 HydrophobicContact CG2-CB 3.72Å; S87-N92 PolarHBondContact OG-ND2 3.42Å; S88-N92 PolarHBondContact O-N 3.38Å; P89-N92 WeakPolarHBondContact O-CB 3.38Å; P89-N92 PolarHBondContact O-N 3.47Å; P89-N92 VanDerWaalsContact O-N 3.12Å; N92-L94 VanDerWaalsContact C-N 3.27Å; N92-L94 PolarHBondContact O-N 2.7Å; N92-T95 PolarHBondContact O-N 3.26Å; N92-L96 WeakPolarHBondContact O-CG 3.44Å; N92-L96 PolarHBondContact O-N 3.22Å; N92-K147 PolarHBondContact OD1-NZ 3.35Å; N92-F314 HydrophobicContact CB-CE1 3.75Å; N92-F314 HydrophobicContact CB-CZ 3.77Å; N92-Q317 PolarHBondContact ND2-OE1 3.29Å |
| 93 | V | 92.8 | Very high | 87.2 | Confident | 44 Ų | 44 | 32.2 Ų | 32.2 | 27% | 0.267 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -58.7 | -41.3 | 176.3 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | L72 T75 L76 P89 L96 L97 | L72-V93 HydrophobicContact CD1-CB 4.33Å; L72-V93 HydrophobicContact CD1-CG1 4Å; L72-V93 HydrophobicContact CD1-CG2 4.02Å; T75-V93 HydrophobicContact CG2-CG2 3.85Å; L76-V93 HydrophobicContact CD2-CG2 4.04Å; P89-V93 WeakPolarHBondContact O-CG2 3.49Å; P89-V93 PolarHBondContact O-N 3.44Å; V93-L96 PolarHBondContact O-N 3.2Å; V93-L97 WeakPolarHBondContact O-CB 3.39Å; V93-L97 PolarHBondContact O-N 3.16Å |
| 94 | L | 93.4 | Very high | 88.3 | Confident | 33 Ų | 33 | 33.4 Ų | 33.4 | 17% | 0.173 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.8 | -42.1 | 179.7 | -162 | 59.5 | 0 | 0 | 0 | 112.6 | N90 L91 N92 L97 G98 L139 P143 V175 | N90-L94 WeakPolarHBondContact O-CB 3.36Å; N90-L94 PolarHBondContact O-N 2.99Å; N90-L94 VanDerWaalsContact O-N 3.17Å; L91-L94 PolarHBondContact O-N 2.95Å; N92-L94 VanDerWaalsContact C-N 3.27Å; N92-L94 PolarHBondContact O-N 2.7Å; L94-L97 PolarHBondContact O-N 2.71Å; L94-G98 PolarHBondContact O-N 3.44Å; L94-L139 HydrophobicContact CD1-CD2 3.39Å; L94-L139 HydrophobicContact CD2-CD2 4.42Å; L94-L139 HydrophobicContact CG-CD2 3.65Å; L94-P143 HydrophobicContact CB-CG 3.98Å; L94-P143 HydrophobicContact CD2-CG 3.98Å; L94-P143 HydrophobicContact CG-CG 3.94Å; L94-V175 HydrophobicContact CD2-CB 4.26Å; L94-V175 HydrophobicContact CD2-CG1 3.85Å |
| 95 | T | 94 | Very high | 89.4 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.9 | -42 | 171.4 | -68.2 | 0 | 0 | 0 | 0 | 112.2 | L91 N92 G98 S99 L139 V140 P143 L313 | L91-T95 PolarHBondContact O-N 3.43Å; L91-T95 PolarHBondContact O-OG1 2.89Å; N92-T95 PolarHBondContact O-N 3.26Å; T95-G98 PolarHBondContact O-N 3.09Å; T95-S99 PolarHBondContact O-N 3.12Å; T95-L139 WeakPolarHBondContact CA-O 3.46Å; T95-V140 HydrophobicContact CG2-CG1 4.33Å; T95-V140 PolarHBondContact OG1-O 3.18Å; T95-P143 WeakPolarHBondContact OG1-CB 3.17Å; T95-L313 HydrophobicContact CG2-CD1 3.91Å |
| 96 | L | 95.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.3 | -41.2 | 179.4 | -72.9 | 167.7 | 0 | 0 | 0 | 112 | A68 F71 L72 N92 V93 G98 S99 V100 F314 | A68-L96 HydrophobicContact CB-CD2 4.35Å; F71-L96 HydrophobicContact CB-CD1 4.03Å; F71-L96 HydrophobicContact CB-CD2 3.79Å; F71-L96 HydrophobicContact CD2-CD2 4.47Å; L72-L96 HydrophobicContact CB-CD1 4.1Å; L72-L96 HydrophobicContact CD1-CD1 4.37Å; N92-L96 WeakPolarHBondContact O-CG 3.44Å; N92-L96 PolarHBondContact O-N 3.22Å; V93-L96 PolarHBondContact O-N 3.2Å; L96-G98 VanDerWaalsContact C-N 3.32Å; L96-G98 PolarHBondContact O-N 3.17Å; L96-S99 WeakPolarHBondContact CA-OG 3.43Å; L96-S99 PolarHBondContact O-N 3.05Å; L96-S99 VanDerWaalsContact O-N 3.13Å; L96-S99 PolarHBondContact O-OG 3.05Å; L96-V100 PolarHBondContact O-N 2.9Å; L96-F314 HydrophobicContact CD1-CE1 3.87Å; L96-F314 HydrophobicContact CD1-CE2 4.05Å; L96-F314 HydrophobicContact CD1-CZ 3.51Å; L96-F314 HydrophobicContact CD2-CD2 4.07Å; L96-F314 HydrophobicContact CD2-CE2 3.53Å; L96-F314 HydrophobicContact CD2-CZ 3.91Å; L96-F314 HydrophobicContact CG-CE1 4.37Å; L96-F314 HydrophobicContact CG-CE2 3.66Å; L96-F314 HydrophobicContact CG-CZ 3.53Å |
| 97 | L | 95.5 | Very high | 91.2 | Very high | 92 Ų | 92 | 22 Ų | 22 | 48% | 0.482 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -57.7 | -45.7 | 171.1 | -178.8 | 62.7 | 0 | 0 | 0 | 111 | V93 L94 S99 V100 L101 | V93-L97 WeakPolarHBondContact O-CB 3.39Å; V93-L97 PolarHBondContact O-N 3.16Å; L94-L97 PolarHBondContact O-N 2.71Å; L97-S99 VanDerWaalsContact C-N 3.32Å; L97-S99 PolarHBondContact O-N 2.99Å; L97-V100 PolarHBondContact O-N 3.27Å; L97-L101 HydrophobicContact CG-CD1 4.41Å; L97-L101 WeakPolarHBondContact O-CG 3.5Å; L97-L101 PolarHBondContact O-N 3.09Å; L97-L101 VanDerWaalsContact O-N 3.07Å |
| 98 | G | 96 | Very high | 92 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -54.4 | -45 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L94 T95 L96 V100 L101 T102 | L94-G98 PolarHBondContact O-N 3.44Å; T95-G98 PolarHBondContact O-N 3.09Å; L96-G98 VanDerWaalsContact C-N 3.32Å; L96-G98 PolarHBondContact O-N 3.17Å; G98-V100 VanDerWaalsContact C-N 3.35Å; G98-V100 PolarHBondContact O-N 3.31Å; G98-L101 PolarHBondContact O-N 3.4Å; G98-T102 PolarHBondContact O-N 2.94Å |
| 99 | S | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.1 | -33.4 | 178.8 | 72.9 | 0 | 0 | 0 | 0 | 113.5 | T95 L96 L97 T102 Y103 T306 N310 | T95-S99 PolarHBondContact O-N 3.12Å; L96-S99 WeakPolarHBondContact CA-OG 3.43Å; L96-S99 PolarHBondContact O-N 3.05Å; L96-S99 VanDerWaalsContact O-N 3.13Å; L96-S99 PolarHBondContact O-OG 3.05Å; L97-S99 VanDerWaalsContact C-N 3.32Å; L97-S99 PolarHBondContact O-N 2.99Å; S99-T102 PolarHBondContact O-OG1 3.41Å; S99-Y103 WeakPolarHBondContact O-CD2 3.5Å; S99-Y103 PolarHBondContact O-N 3.12Å; S99-Y103 VanDerWaalsContact O-N 3.09Å; S99-T306 VanDerWaalsContact CB-CG2 3.45Å; S99-N310 VanDerWaalsContact CB-ND2 3.32Å; S99-N310 WeakPolarHBondContact CB-ND2 3.45Å; S99-N310 PolarHBondContact OG-ND2 3.07Å |
| 100 | V | 97 | Very high | 92.3 | Very high | 37 Ų | 37 | 23.7 Ų | 23.7 | 22% | 0.224 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.3 | -41 | 172.9 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | A68 L96 L97 G98 Y103 I104 | A68-V100 HydrophobicContact CB-CG2 4.11Å; L96-V100 PolarHBondContact O-N 2.9Å; L97-V100 PolarHBondContact O-N 3.27Å; G98-V100 VanDerWaalsContact C-N 3.35Å; G98-V100 PolarHBondContact O-N 3.31Å; V100-Y103 PolarHBondContact O-N 2.92Å; V100-I104 HydrophobicContact CG1-CD1 3.79Å; V100-I104 HydrophobicContact CG1-CG1 4.44Å; V100-I104 VanDerWaalsContact O-CG1 3.26Å; V100-I104 WeakPolarHBondContact O-CG1 3.44Å; V100-I104 PolarHBondContact O-N 3.1Å |
| 101 | L | 95.4 | Very high | 91.6 | Very high | 33 Ų | 33 | 23.1 Ų | 23.1 | 17% | 0.173 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.1 | -39.2 | 176.7 | -62.5 | 168.3 | 0 | 0 | 0 | 112.5 | L97 G98 I104 S105 M132 L139 | L97-L101 HydrophobicContact CG-CD1 4.41Å; L97-L101 WeakPolarHBondContact O-CG 3.5Å; L97-L101 PolarHBondContact O-N 3.09Å; L97-L101 VanDerWaalsContact O-N 3.07Å; G98-L101 PolarHBondContact O-N 3.4Å; L101-I104 PolarHBondContact O-N 3.19Å; L101-S105 PolarHBondContact O-N 3.45Å; L101-M132 HydrophobicContact CD2-CE 3.45Å; L101-M132 VanDerWaalsContact CD2-CE 3.45Å; L101-M132 HydrophobicContact CD2-SD 3.86Å; L101-L139 HydrophobicContact CD1-CD1 3.44Å; L101-L139 VanDerWaalsContact CD1-CD1 3.44Å |
| 102 | T | 95.5 | Very high | 90.3 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.5 | -42.5 | 174.6 | 59.1 | 0 | 0 | 0 | 0 | 111.8 | G98 S99 I104 S105 G106 G136 T306 | G98-T102 PolarHBondContact O-N 2.94Å; S99-T102 PolarHBondContact O-OG1 3.41Å; T102-I104 PolarHBondContact O-N 3.43Å; T102-S105 PolarHBondContact O-N 3.41Å; T102-S105 PolarHBondContact O-OG 3.38Å; T102-G106 PolarHBondContact O-N 2.89Å; T102-G136 VanDerWaalsContact CG2-C 3.44Å; T102-T306 PolarHBondContact OG1-OG1 3.05Å |
| 103 | Y | 96.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.6 | -41.5 | 174.5 | -66.1 | -50.6 | 0 | 0 | 0 | 112.5 | L61 G64 I65 A68 S99 V100 S105 G106 F107 F303 T306 L307 | L61-Y103 HydrophobicContact CD2-CD1 3.88Å; G64-Y103 WeakPolarHBondContact O-CE2 3.48Å; I65-Y103 VanDerWaalsContact CG1-CB 3.44Å; I65-Y103 HydrophobicContact CG1-CD2 3.77Å; I65-Y103 HydrophobicContact CG1-CG 3.91Å; A68-Y103 HydrophobicContact CB-CE2 4.35Å; S99-Y103 WeakPolarHBondContact O-CD2 3.5Å; S99-Y103 PolarHBondContact O-N 3.12Å; S99-Y103 VanDerWaalsContact O-N 3.09Å; V100-Y103 PolarHBondContact O-N 2.92Å; Y103-S105 VanDerWaalsContact C-N 3.3Å; Y103-S105 PolarHBondContact O-N 2.85Å; Y103-G106 PolarHBondContact O-N 3.3Å; Y103-G106 VanDerWaalsContact O-N 3.08Å; Y103-F107 WeakPolarHBondContact O-CD2 3.22Å; Y103-F107 PolarHBondContact O-N 3.2Å; Y103-F303 HydrophobicContact CE1-CD2 4.01Å; Y103-T306 HydrophobicContact CD2-CG2 4.46Å; Y103-T306 HydrophobicContact CE1-CG2 3.88Å; Y103-T306 HydrophobicContact CE2-CG2 3.79Å; Y103-T306 VanDerWaalsContact CZ-CG2 3.46Å; Y103-L307 PolarHBondContact OH-N 3.44Å |
| 104 | I | 94.3 | Very high | 86.2 | Confident | 60 Ų | 60 | 35.6 Ų | 35.6 | 31% | 0.308 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -58.7 | -41.4 | 174.4 | -70.4 | 165.6 | 0 | 0 | 0 | 110.9 | I65 V100 L101 T102 G106 F107 L108 M132 | I65-I104 HydrophobicContact CD1-CG1 4.48Å; V100-I104 HydrophobicContact CG1-CD1 3.79Å; V100-I104 HydrophobicContact CG1-CG1 4.44Å; V100-I104 VanDerWaalsContact O-CG1 3.26Å; V100-I104 WeakPolarHBondContact O-CG1 3.44Å; V100-I104 PolarHBondContact O-N 3.1Å; L101-I104 PolarHBondContact O-N 3.19Å; T102-I104 PolarHBondContact O-N 3.43Å; I104-G106 VanDerWaalsContact C-N 3.26Å; I104-G106 PolarHBondContact O-N 3.23Å; I104-F107 WeakPolarHBondContact O-CB 3.4Å; I104-F107 PolarHBondContact O-N 3.42Å; I104-F107 VanDerWaalsContact O-N 3.08Å; I104-L108 HydrophobicContact CG2-CD1 4.37Å; I104-L108 PolarHBondContact O-N 3.06Å; I104-L108 VanDerWaalsContact O-N 3.09Å; I104-M132 HydrophobicContact CB-CE 4.11Å; I104-M132 HydrophobicContact CD1-CE 4.43Å; I104-M132 HydrophobicContact CG2-CE 3.59Å |
| 105 | S | 93.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.3 | -38.5 | 175.3 | 78.7 | 0 | 0 | 0 | 0 | 112.5 | L101 T102 Y103 F107 L108 F109 | L101-S105 PolarHBondContact O-N 3.45Å; T102-S105 PolarHBondContact O-N 3.41Å; T102-S105 PolarHBondContact O-OG 3.38Å; Y103-S105 VanDerWaalsContact C-N 3.3Å; Y103-S105 PolarHBondContact O-N 2.85Å; S105-F107 VanDerWaalsContact C-N 3.3Å; S105-F107 PolarHBondContact O-N 3.02Å; S105-L108 PolarHBondContact O-N 2.88Å; S105-L108 VanDerWaalsContact O-N 3.1Å; S105-F109 WeakPolarHBondContact O-CD2 3.47Å; S105-F109 PolarHBondContact O-N 3.34Å |
| 106 | G | 92 | Very high | 81.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.6 | -27.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L61 T102 Y103 I104 Y295 | L61-G106 VanDerWaalsContact CD1-C 3.43Å; T102-G106 PolarHBondContact O-N 2.89Å; Y103-G106 PolarHBondContact O-N 3.3Å; Y103-G106 VanDerWaalsContact O-N 3.08Å; I104-G106 VanDerWaalsContact C-N 3.26Å; I104-G106 PolarHBondContact O-N 3.23Å; G106-Y295 PolarHBondContact O-OH 3.44Å |
| 107 | F | 90.6 | Very high | 79.1 | Confident | 45 Ų | 45 | 45.7 Ų | 45.7 | 20% | 0.197 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.8 | -42.7 | 168.7 | -77.9 | -82 | 0 | 0 | 0 | 111.6 | W58 L61 I65 Y103 I104 S105 F109 A110 | W58-F107 HydrophobicContact CB-CE1 3.78Å; W58-F107 AromaticContact CD1-CD1 3.67Å; W58-F107 AromaticContact CD1-CE1 3.78Å; W58-F107 HydrophobicContact CD2-CD1 4.12Å; W58-F107 HydrophobicContact CD2-CE1 4.09Å; W58-F107 AromaticContact CG-CD1 3.88Å; W58-F107 HydrophobicContact CG-CD1 3.88Å; W58-F107 AromaticContact CG-CE1 3.61Å; W58-F107 HydrophobicContact CG-CE1 3.61Å; W58-F107 AromaticContact NE1-CD1 3.75Å; L61-F107 HydrophobicContact CB-CD2 4.05Å; L61-F107 HydrophobicContact CB-CE1 4.45Å; L61-F107 HydrophobicContact CB-CE2 3.38Å; L61-F107 HydrophobicContact CB-CZ 3.63Å; L61-F107 HydrophobicContact CD1-CD2 4.11Å; L61-F107 HydrophobicContact CD1-CE2 4.25Å; L61-F107 HydrophobicContact CD1-CG 4.31Å; L61-F107 HydrophobicContact CG-CE2 4.45Å; I65-F107 HydrophobicContact CD1-CD2 4.3Å; I65-F107 HydrophobicContact CD1-CE2 3.74Å; Y103-F107 WeakPolarHBondContact O-CD2 3.22Å; Y103-F107 PolarHBondContact O-N 3.2Å; I104-F107 WeakPolarHBondContact O-CB 3.4Å; I104-F107 PolarHBondContact O-N 3.42Å; I104-F107 VanDerWaalsContact O-N 3.08Å; S105-F107 VanDerWaalsContact C-N 3.3Å; S105-F107 PolarHBondContact O-N 3.02Å; F107-F109 VanDerWaalsContact C-N 3.31Å; F107-F109 PolarHBondContact O-N 3.32Å; F107-A110 WeakPolarHBondContact O-CA 3.39Å; F107-A110 WeakPolarHBondContact O-CB 3.45Å; F107-A110 PolarHBondContact O-N 3.18Å |
| 108 | L | 87.3 | Confident | 77 | Confident | 38 Ų | 38 | 47.4 Ų | 47.4 | 20% | 0.199 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.4 | -36 | 179 | -63.6 | 175 | 0 | 0 | 0 | 112.3 | I104 S105 A110 M111 L125 A128 R129 M132 | I104-L108 HydrophobicContact CG2-CD1 4.37Å; I104-L108 PolarHBondContact O-N 3.06Å; I104-L108 VanDerWaalsContact O-N 3.09Å; S105-L108 PolarHBondContact O-N 2.88Å; S105-L108 VanDerWaalsContact O-N 3.1Å; L108-A110 PolarHBondContact O-N 3.22Å; L108-A110 VanDerWaalsContact O-N 3.11Å; L108-M111 PolarHBondContact O-N 2.83Å; L108-M111 VanDerWaalsContact O-N 3.15Å; L108-L125 HydrophobicContact CB-CD2 4.5Å; L108-L125 HydrophobicContact CD2-CG 4.32Å; L108-A128 HydrophobicContact CD1-CB 4.36Å; L108-R129 HydrophobicContact CB-CB 3.6Å; L108-R129 HydrophobicContact CD1-CB 4.25Å; L108-M132 HydrophobicContact CD1-CG 4.45Å |
| 109 | F | 83.8 | Confident | 75.2 | Confident | 30 Ų | 30 | 50.3 Ų | 50.3 | 13% | 0.132 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -17.7 | 170.1 | -82 | -72 | 0 | 0 | 0 | 114.3 | S105 F107 R129 M130 L133 Y295 I302 | S105-F109 WeakPolarHBondContact O-CD2 3.47Å; S105-F109 PolarHBondContact O-N 3.34Å; F107-F109 VanDerWaalsContact C-N 3.31Å; F107-F109 PolarHBondContact O-N 3.32Å; F109-R129 HydrophobicContact CD1-CG 4.28Å; F109-R129 HydrophobicContact CE1-CG 3.99Å; F109-R129 HydrophobicContact CE2-CB 4.42Å; F109-R129 HydrophobicContact CE2-CG 4.23Å; F109-R129 HydrophobicContact CZ-CG 3.95Å; F109-M130 HydrophobicContact CE1-CE 4.15Å; F109-M130 HydrophobicContact CE1-SD 4.47Å; F109-M130 HydrophobicContact CZ-CE 4.11Å; F109-M130 HydrophobicContact CZ-SD 3.88Å; F109-L133 HydrophobicContact CE2-CD2 4.05Å; F109-L133 HydrophobicContact CZ-CD2 4.31Å; F109-Y295 HydrophobicContact CB-CD2 4Å; F109-Y295 HydrophobicContact CB-CE2 3.84Å; F109-I302 HydrophobicContact CD2-CD1 4.48Å; F109-I302 HydrophobicContact CE2-CD1 4.43Å |
| 110 | A | 82.3 | Confident | 73.4 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -14.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R54 W58 F107 L108 Y295 | R54-A110 PolarHBondContact NE-O 2.95Å; R54-A110 VanDerWaalsContact NE-O 3.12Å; R54-A110 PolarHBondContact NH2-O 3.39Å; W58-A110 HydrophobicContact CZ2-CB 4.12Å; F107-A110 WeakPolarHBondContact O-CA 3.39Å; F107-A110 WeakPolarHBondContact O-CB 3.45Å; F107-A110 PolarHBondContact O-N 3.18Å; L108-A110 PolarHBondContact O-N 3.22Å; L108-A110 VanDerWaalsContact O-N 3.11Å; A110-Y295 HydrophobicContact CB-CE1 4.46Å; A110-Y295 HydrophobicContact CB-CE2 3.7Å; A110-Y295 WeakPolarHBondContact CB-OH 3.44Å |
| 111 | M | 73.9 | Confident | 71.9 | Confident | 64 Ų | 64 | 58.3 Ų | 58.3 | 32% | 0.315 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -10 | -168.5 | -74.9 | -57.1 | -54.6 | 0 | 0 | 114.5 | W58 L108 E113 R114 L125 | W58-M111 HydrophobicContact CH2-SD 3.9Å; W58-M111 HydrophobicContact CZ2-SD 3.75Å; L108-M111 PolarHBondContact O-N 2.83Å; L108-M111 VanDerWaalsContact O-N 3.15Å; M111-E113 PolarHBondContact O-N 3.24Å; M111-R114 HydrophobicContact CE-CB 4.43Å; M111-R114 PolarHBondContact O-N 2.99Å; M111-L125 HydrophobicContact CB-CD1 4.12Å; M111-L125 HydrophobicContact CB-CD2 4.42Å |
| 112 | D | 60.8 | Low | 70.5 | Confident | 77 Ų | 77 | 58.2 Ų | 58.2 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | -27.9 | -177.9 | -112 | 15.3 | 0 | 0 | 0 | 114.9 | R129 | D112-R129 IonicContact OD1-CZ 2.92Å; D112-R129 IonicContact OD1-NH1 3.88Å; D112-R129 PolarHBondContact OD1-NH1 3.47Å; D112-R129 IonicContact OD2-CZ 2.7Å; D112-R129 IonicContact OD2-NH1 3.75Å; D112-R129 PolarHBondContact OD2-NH1 2.88Å; D112-R129 IonicContact OD2-NH2 3.41Å; D112-R129 PolarHBondContact OD2-NH2 3.46Å |
| 113 | E | 53 | Low | 69.4 | Low | 56 Ų | 56 | 59.9 Ų | 59.9 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -5.8 | -170 | -54.2 | -169.9 | 141 | 0 | 0 | 115.5 | S48 L49 R54 M111 | S48-E113 VanDerWaalsContact CA-OE1 3.29Å; S48-E113 WeakPolarHBondContact CA-OE1 3.34Å; L49-E113 VanDerWaalsContact CB-OE2 3.26Å; L49-E113 WeakPolarHBondContact CB-OE2 3.22Å; L49-E113 PolarHBondContact N-OE1 2.88Å; L49-E113 PolarHBondContact N-OE2 3.04Å; R54-E113 IonicContact CZ-OE2 3.39Å; R54-E113 IonicContact NH1-OE2 3.13Å; R54-E113 PolarHBondContact NH1-OE2 2.78Å; R54-E113 VanDerWaalsContact NH1-OE2 3.13Å; R54-E113 IonicContact NH2-OE2 2.7Å; R54-E113 PolarHBondContact NH2-OE2 3.2Å; M111-E113 PolarHBondContact O-N 3.24Å |
| 114 | R | 45 | Very low | 68.3 | Low | 174 Ų | 174 | 63.8 Ų | 63.8 | 66% | 0.657 | 34% | 0.343 | S | S | * | . | trans | -117.3 | -0.2 | -170.7 | -72.4 | -172 | 173.7 | -172.6 | -3.3 | 115 | M111 H116 | M111-R114 HydrophobicContact CE-CB 4.43Å; M111-R114 PolarHBondContact O-N 2.99Å; R114-H116 PolarHBondContact O-N 3.19Å | ||
| 115 | A | 44.9 | Very low | 67.6 | Low | 33 Ų | 33 | 62.7 Ų | 62.7 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | trans | -78.3 | 38.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | A117 | A115-A117 PolarHBondContact O-N 3.49Š| ||
| 116 | H | 44.2 | Very low | 66.7 | Low | 116 Ų | 116 | 63.7 Ų | 63.7 | 54% | 0.537 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 80.4 | 179.8 | -76.8 | -58.1 | 0 | 0 | 0 | 112.1 | R46 R114 D220 | R46-H116 VanDerWaalsContact CZ-NE2 3.33Å; R46-H116 PolarHBondContact NH1-CE1 3.47Å; R46-H116 PolarHBondContact NH1-NE2 3.44Å; R46-H116 PolarHBondContact NH2-CE1 2.96Å; R114-H116 PolarHBondContact O-N 3.19Å; H116-D220 IonicContact CE1-OD2 3.16Å |
| 117 | A | 43.3 | Very low | 66.3 | Low | 99 Ų | 99 | 65.9 Ų | 65.9 | 82% | 0.818 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -155.1 | -38.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A115 | A115-A117 PolarHBondContact O-N 3.49Š|
| 118 | Q | 52.7 | Low | 66 | Low | 127 Ų | 127 | 65.6 Ų | 65.6 | 59% | 0.593 | 36% | 0.359 | S | S | * | . | trans | -155.9 | 121.5 | -166.4 | -158 | 157.9 | -2.1 | 0 | 0 | 112.4 | E120 V121 | Q118-E120 VanDerWaalsContact C-N 3.28Å; Q118-E120 PolarHBondContact O-N 2.74Å; Q118-V121 HydrophobicContact CB-CG2 4.16Å; Q118-V121 PolarHBondContact O-N 2.86Å | ||
| 119 | A | 56.7 | Low | 66 | Low | 62 Ų | 62 | 65.1 Ų | 65.1 | 51% | 0.512 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.6 | -29.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V121 S122 I123 | A119-V121 VanDerWaalsContact C-N 3.26Å; A119-V121 PolarHBondContact O-N 3.43Å; A119-S122 PolarHBondContact O-N 3.32Å; A119-S122 PolarHBondContact O-OG 2.92Å; A119-I123 WeakPolarHBondContact O-CG1 3.38Å; A119-I123 PolarHBondContact O-N 3.09Å |
| 120 | E | 60.1 | Low | 66.1 | Low | 128 Ų | 128 | 65.2 Ų | 65.2 | 60% | 0.598 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.6 | -33.4 | 175.4 | -57.6 | -55.4 | 142.9 | 0 | 0 | 112.7 | Q118 T124 | Q118-E120 VanDerWaalsContact C-N 3.28Å; Q118-E120 PolarHBondContact O-N 2.74Å; E120-T124 WeakPolarHBondContact O-CG2 3.4Å; E120-T124 PolarHBondContact O-N 3.03Å; E120-T124 VanDerWaalsContact O-N 3.15Å; E120-T124 PolarHBondContact O-OG1 2.88Å |
| 121 | V | 63.9 | Low | 66.6 | Low | 77 Ų | 77 | 68.2 Ų | 68.2 | 47% | 0.467 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -75.6 | -32.8 | -176.8 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | Q118 A119 T124 L125 | Q118-V121 HydrophobicContact CB-CG2 4.16Å; Q118-V121 PolarHBondContact O-N 2.86Å; A119-V121 VanDerWaalsContact C-N 3.26Å; A119-V121 PolarHBondContact O-N 3.43Å; V121-T124 WeakPolarHBondContact CA-OG1 3.45Å; V121-T124 PolarHBondContact O-OG1 3.19Å; V121-L125 WeakPolarHBondContact O-CB 3.41Å; V121-L125 PolarHBondContact O-N 3.41Å |
| 122 | S | 66.6 | Low | 67.5 | Low | 31 Ų | 31 | 67.7 Ų | 67.7 | 22% | 0.217 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71.2 | -40.8 | 173.2 | 37.8 | 0 | 0 | 0 | 0 | 112.2 | A119 L125 L126 | A119-S122 PolarHBondContact O-N 3.32Å; A119-S122 PolarHBondContact O-OG 2.92Å; S122-L125 PolarHBondContact O-N 3.33Å; S122-L126 WeakPolarHBondContact O-CB 3.44Å; S122-L126 PolarHBondContact O-N 2.88Å |
| 123 | I | 72.1 | Confident | 69 | Low | 40 Ų | 40 | 66 Ų | 66 | 21% | 0.205 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 177.4 | -64.7 | 165.2 | 0 | 0 | 0 | 110.9 | A119 L125 L126 Q127 C197 | A119-I123 WeakPolarHBondContact O-CG1 3.38Å; A119-I123 PolarHBondContact O-N 3.09Å; I123-L125 PolarHBondContact O-N 3.1Å; I123-L126 PolarHBondContact O-N 3.43Å; I123-Q127 PolarHBondContact O-N 3.23Å; I123-C197 HydrophobicContact CG1-CB 4.5Å; I123-C197 WeakPolarHBondContact CG1-SG 3.24Å |
| 124 | T | 74.5 | Confident | 70.9 | Confident | 82 Ų | 82 | 64 Ų | 64 | 50% | 0.503 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.2 | -37.2 | -179.6 | 47.8 | 0 | 0 | 0 | 0 | 112.9 | E120 V121 A128 | E120-T124 WeakPolarHBondContact O-CG2 3.4Å; E120-T124 PolarHBondContact O-N 3.03Å; E120-T124 VanDerWaalsContact O-N 3.15Å; E120-T124 PolarHBondContact O-OG1 2.88Å; V121-T124 WeakPolarHBondContact CA-OG1 3.45Å; V121-T124 PolarHBondContact O-OG1 3.19Å; T124-A128 VanDerWaalsContact O-CB 3.27Å; T124-A128 WeakPolarHBondContact O-CB 3.3Å; T124-A128 PolarHBondContact O-N 3.31Å |
| 125 | L | 78.3 | Confident | 73.3 | Confident | 37 Ų | 37 | 57 Ų | 57 | 19% | 0.194 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.4 | -42.9 | 174.2 | -169.8 | 155.3 | 0 | 0 | 0 | 112.2 | L108 M111 V121 S122 I123 Q127 A128 R129 | L108-L125 HydrophobicContact CB-CD2 4.5Å; L108-L125 HydrophobicContact CD2-CG 4.32Å; M111-L125 HydrophobicContact CB-CD1 4.12Å; M111-L125 HydrophobicContact CB-CD2 4.42Å; V121-L125 WeakPolarHBondContact O-CB 3.41Å; V121-L125 PolarHBondContact O-N 3.41Å; S122-L125 PolarHBondContact O-N 3.33Å; I123-L125 PolarHBondContact O-N 3.1Å; L125-Q127 VanDerWaalsContact C-N 3.34Å; L125-Q127 PolarHBondContact O-N 2.73Å; L125-A128 PolarHBondContact O-N 3.19Å; L125-R129 PolarHBondContact O-N 2.93Å |
| 126 | L | 75.1 | Confident | 75.7 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 11% | 0.105 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 176 | 171.9 | 57 | 0 | 0 | 0 | 112.2 | S122 I123 R129 V195 C222 | S122-L126 WeakPolarHBondContact O-CB 3.44Å; S122-L126 PolarHBondContact O-N 2.88Å; I123-L126 PolarHBondContact O-N 3.43Å; L126-R129 VanDerWaalsContact CD1-CZ 3.45Å; L126-R129 WeakPolarHBondContact O-CG 3.33Å; L126-V195 HydrophobicContact CD2-CG1 3.67Å; L126-V195 HydrophobicContact CG-CG1 4.44Å; L126-C222 HydrophobicContact CD2-CB 3.22Å |
| 127 | Q | 82.4 | Confident | 78.1 | Confident | 47 Ų | 47 | 51.2 Ų | 51.2 | 22% | 0.22 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.1 | -49.4 | 171.9 | -175.6 | 176.9 | -6.9 | 0 | 0 | 111 | I123 L125 R129 M130 W131 N190 | I123-Q127 PolarHBondContact O-N 3.23Å; L125-Q127 VanDerWaalsContact C-N 3.34Å; L125-Q127 PolarHBondContact O-N 2.73Å; Q127-R129 VanDerWaalsContact C-N 3.32Å; Q127-R129 PolarHBondContact O-N 3.37Å; Q127-M130 PolarHBondContact O-N 3.23Å; Q127-W131 HydrophobicContact CG-CG 4.46Å; Q127-W131 PolarHBondContact O-N 3.02Å; Q127-W131 VanDerWaalsContact O-N 3.14Å; Q127-N190 PolarHBondContact NE2-ND2 3.01Å; Q127-N190 PolarHBondContact NE2-OD1 3.2Å; Q127-N190 PolarHBondContact OE1-OD1 3.19Å |
| 128 | A | 85.5 | Confident | 80.5 | Confident | 38 Ų | 38 | 46.5 Ų | 46.5 | 31% | 0.314 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -56.7 | -40.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L108 T124 L125 M130 W131 M132 | L108-A128 HydrophobicContact CD1-CB 4.36Å; T124-A128 VanDerWaalsContact O-CB 3.27Å; T124-A128 WeakPolarHBondContact O-CB 3.3Å; T124-A128 PolarHBondContact O-N 3.31Å; L125-A128 PolarHBondContact O-N 3.19Å; A128-M130 PolarHBondContact O-N 2.97Å; A128-W131 PolarHBondContact O-N 3.32Å; A128-M132 VanDerWaalsContact O-CB 3.3Å; A128-M132 WeakPolarHBondContact O-CB 3.3Å; A128-M132 WeakPolarHBondContact O-CG 3.44Å; A128-M132 PolarHBondContact O-N 3.39Å |
| 129 | R | 87.3 | Confident | 82.5 | Confident | 28 Ų | 28 | 41.1 Ų | 41.1 | 11% | 0.106 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.1 | -41 | -179.5 | 82.1 | -165.3 | 179.9 | -179.7 | 0.1 | 113.1 | L108 F109 D112 L125 L126 Q127 L133 | L108-R129 HydrophobicContact CB-CB 3.6Å; L108-R129 HydrophobicContact CD1-CB 4.25Å; F109-R129 HydrophobicContact CD1-CG 4.28Å; F109-R129 HydrophobicContact CE1-CG 3.99Å; F109-R129 HydrophobicContact CE2-CB 4.42Å; F109-R129 HydrophobicContact CE2-CG 4.23Å; F109-R129 HydrophobicContact CZ-CG 3.95Å; D112-R129 IonicContact OD1-CZ 2.92Å; D112-R129 IonicContact OD1-NH1 3.88Å; D112-R129 PolarHBondContact OD1-NH1 3.47Å; D112-R129 IonicContact OD2-CZ 2.7Å; D112-R129 IonicContact OD2-NH1 3.75Å; D112-R129 PolarHBondContact OD2-NH1 2.88Å; D112-R129 IonicContact OD2-NH2 3.41Å; D112-R129 PolarHBondContact OD2-NH2 3.46Å; L125-R129 PolarHBondContact O-N 2.93Å; L126-R129 VanDerWaalsContact CD1-CZ 3.45Å; L126-R129 WeakPolarHBondContact O-CG 3.33Å; Q127-R129 VanDerWaalsContact C-N 3.32Å; Q127-R129 PolarHBondContact O-N 3.37Å; R129-L133 WeakPolarHBondContact O-CB 3.36Å; R129-L133 PolarHBondContact O-N 3.35Å; R129-L133 VanDerWaalsContact O-N 3.11Å |
| 130 | M | 86 | Confident | 84.3 | Confident | 32 Ų | 32 | 38.4 Ų | 38.4 | 16% | 0.158 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.7 | -41.5 | 179 | -70.6 | -59.9 | -168.3 | 0 | 0 | 111.4 | F109 Q127 A128 L133 C134 L231 | F109-M130 HydrophobicContact CE1-CE 4.15Å; F109-M130 HydrophobicContact CE1-SD 4.47Å; F109-M130 HydrophobicContact CZ-CE 4.11Å; F109-M130 HydrophobicContact CZ-SD 3.88Å; Q127-M130 PolarHBondContact O-N 3.23Å; A128-M130 PolarHBondContact O-N 2.97Å; M130-L133 PolarHBondContact O-N 3.36Å; M130-C134 WeakPolarHBondContact O-CB 3.49Å; M130-C134 PolarHBondContact O-N 3.02Å; M130-C134 PolarHBondContact O-SG 3.34Å; M130-L231 HydrophobicContact CE-CD2 4.41Å |
| 131 | W | 91.8 | Very high | 85.8 | Confident | 64 Ų | 64 | 33.5 Ų | 33.5 | 24% | 0.242 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.3 | -46.6 | 176.3 | -79.3 | 56.7 | 0 | 0 | 0 | 111.9 | Q127 A128 L133 C134 V135 I183 L186 T187 N190 | Q127-W131 HydrophobicContact CG-CG 4.46Å; Q127-W131 PolarHBondContact O-N 3.02Å; Q127-W131 VanDerWaalsContact O-N 3.14Å; A128-W131 PolarHBondContact O-N 3.32Å; W131-L133 PolarHBondContact O-N 3.48Å; W131-C134 PolarHBondContact O-N 3.38Å; W131-V135 WeakPolarHBondContact O-CB 3.3Å; W131-V135 WeakPolarHBondContact O-CG2 3.42Å; W131-V135 PolarHBondContact O-N 2.96Å; W131-I183 HydrophobicContact CZ3-CG2 4.44Å; W131-L186 HydrophobicContact CD2-CB 3.96Å; W131-L186 HydrophobicContact CD2-CD1 4.09Å; W131-L186 HydrophobicContact CE3-CB 4.31Å; W131-L186 HydrophobicContact CE3-CD1 4.3Å; W131-L186 HydrophobicContact CG-CD1 4.16Å; W131-L186 HydrophobicContact CH2-CB 4.12Å; W131-L186 VanDerWaalsContact CZ2-C 3.49Å; W131-L186 HydrophobicContact CZ2-CB 3.73Å; W131-L186 WeakPolarHBondContact CZ2-O 3.36Å; W131-L186 HydrophobicContact CZ3-CB 4.39Å; W131-T187 HydrophobicContact CH2-CG2 3.68Å; W131-T187 HydrophobicContact CZ2-CG2 4.47Å; W131-N190 HydrophobicContact CZ2-CB 4.48Å |
| 132 | M | 92.6 | Very high | 87.1 | Confident | 53 Ų | 53 | 29.9 Ų | 29.9 | 26% | 0.261 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.1 | -38.1 | 178.6 | -68 | -76.6 | -83.2 | 0 | 0 | 112.2 | L101 I104 L108 A128 G136 | L101-M132 HydrophobicContact CD2-CE 3.45Å; L101-M132 VanDerWaalsContact CD2-CE 3.45Å; L101-M132 HydrophobicContact CD2-SD 3.86Å; I104-M132 HydrophobicContact CB-CE 4.11Å; I104-M132 HydrophobicContact CD1-CE 4.43Å; I104-M132 HydrophobicContact CG2-CE 3.59Å; L108-M132 HydrophobicContact CD1-CG 4.45Å; A128-M132 VanDerWaalsContact O-CB 3.3Å; A128-M132 WeakPolarHBondContact O-CB 3.3Å; A128-M132 WeakPolarHBondContact O-CG 3.44Å; A128-M132 PolarHBondContact O-N 3.39Å; M132-G136 WeakPolarHBondContact O-CA 3.44Å; M132-G136 PolarHBondContact O-N 2.98Å |
| 133 | L | 92.5 | Very high | 88.3 | Confident | 43 Ų | 43 | 28.4 Ų | 28.4 | 23% | 0.225 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.8 | -43.3 | 174.2 | -179.6 | 60.2 | 0 | 0 | 0 | 112 | F109 R129 M130 W131 S137 I302 | F109-L133 HydrophobicContact CE2-CD2 4.05Å; F109-L133 HydrophobicContact CZ-CD2 4.31Å; R129-L133 WeakPolarHBondContact O-CB 3.36Å; R129-L133 PolarHBondContact O-N 3.35Å; R129-L133 VanDerWaalsContact O-N 3.11Å; M130-L133 PolarHBondContact O-N 3.36Å; W131-L133 PolarHBondContact O-N 3.48Å; L133-S137 VanDerWaalsContact O-CB 3.28Å; L133-S137 WeakPolarHBondContact O-CB 3.44Å; L133-S137 PolarHBondContact O-N 2.64Å; L133-S137 PolarHBondContact O-OG 3.4Å; L133-I302 HydrophobicContact CD1-CD1 3.85Å; L133-I302 HydrophobicContact CD1-CG1 3.96Å; L133-I302 HydrophobicContact CD2-CD1 4.34Å |
| 134 | C | 93.8 | Very high | 89.1 | Confident | 13 Ų | 13 | 26.9 Ų | 26.9 | 9% | 0.088 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.5 | -57.6 | 179 | -68.8 | 0 | 0 | 0 | 0 | 111.4 | M130 W131 G136 S137 T138 L186 K238 | M130-C134 WeakPolarHBondContact O-CB 3.49Å; M130-C134 PolarHBondContact O-N 3.02Å; M130-C134 PolarHBondContact O-SG 3.34Å; W131-C134 PolarHBondContact O-N 3.38Å; C134-G136 VanDerWaalsContact C-N 3.33Å; C134-G136 PolarHBondContact O-N 2.64Å; C134-S137 PolarHBondContact O-N 3.36Å; C134-S137 PolarHBondContact O-OG 2.91Å; C134-T138 PolarHBondContact O-N 3.32Å; C134-L186 HydrophobicContact CB-CD1 3.89Å; C134-L186 HydrophobicContact CB-CD2 4.44Å; C134-K238 PolarHBondContact O-NZ 3.14Å |
| 135 | V | 95.1 | Very high | 89.7 | Confident | 27 Ų | 27 | 23.5 Ų | 23.5 | 16% | 0.164 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.2 | -40.7 | -179.4 | 175.8 | 0 | 0 | 0 | 0 | 111 | W131 T138 L139 I179 I183 L186 | W131-V135 WeakPolarHBondContact O-CB 3.3Å; W131-V135 WeakPolarHBondContact O-CG2 3.42Å; W131-V135 PolarHBondContact O-N 2.96Å; V135-T138 PolarHBondContact O-N 3.25Å; V135-L139 HydrophobicContact CG1-CD1 3.85Å; V135-L139 HydrophobicContact CG1-CG 4.49Å; V135-L139 WeakPolarHBondContact O-CB 3.22Å; V135-L139 WeakPolarHBondContact O-CG 3.37Å; V135-L139 PolarHBondContact O-N 2.79Å; V135-I179 HydrophobicContact CG1-CG2 4.13Å; V135-I183 HydrophobicContact CG2-CG1 4.3Å; V135-L186 HydrophobicContact CG2-CD1 4.31Å |
| 136 | G | 95.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61 | -45.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T102 M132 C134 T138 L139 V140 | T102-G136 VanDerWaalsContact CG2-C 3.44Å; M132-G136 WeakPolarHBondContact O-CA 3.44Å; M132-G136 PolarHBondContact O-N 2.98Å; C134-G136 VanDerWaalsContact C-N 3.33Å; C134-G136 PolarHBondContact O-N 2.64Å; G136-T138 PolarHBondContact O-N 3.25Å; G136-L139 PolarHBondContact O-N 2.97Å; G136-V140 WeakPolarHBondContact O-CG2 3.32Å; G136-V140 PolarHBondContact O-N 2.68Å |
| 137 | S | 93.6 | Very high | 90.6 | Very high | 27 Ų | 27 | 21.9 Ų | 21.9 | 19% | 0.189 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.6 | -37.2 | 179.2 | 53.5 | 0 | 0 | 0 | 0 | 112.9 | L133 C134 V140 F141 K238 | L133-S137 VanDerWaalsContact O-CB 3.28Å; L133-S137 WeakPolarHBondContact O-CB 3.44Å; L133-S137 PolarHBondContact O-N 2.64Å; L133-S137 PolarHBondContact O-OG 3.4Å; C134-S137 PolarHBondContact O-N 3.36Å; C134-S137 PolarHBondContact O-OG 2.91Å; S137-V140 PolarHBondContact O-N 3.32Å; S137-F141 WeakPolarHBondContact O-CD2 3.47Å; S137-F141 PolarHBondContact O-N 3.24Å; S137-K238 PolarHBondContact OG-NZ 2.93Å |
| 138 | T | 94.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -78.8 | -25.6 | 175.4 | -77 | 0 | 0 | 0 | 0 | 113 | C134 V135 G136 V140 G142 L178 I179 E182 K238 L241 | C134-T138 PolarHBondContact O-N 3.32Å; V135-T138 PolarHBondContact O-N 3.25Å; G136-T138 PolarHBondContact O-N 3.25Å; T138-V140 VanDerWaalsContact C-N 3.32Å; T138-G142 WeakPolarHBondContact O-CA 3.35Å; T138-G142 PolarHBondContact O-N 2.65Å; T138-L178 HydrophobicContact CG2-CB 4.12Å; T138-I179 HydrophobicContact CG2-CG1 4.05Å; T138-E182 WeakPolarHBondContact CB-OE1 3.29Å; T138-E182 WeakPolarHBondContact CB-OE2 3.43Å; T138-E182 VanDerWaalsContact OG1-CD 3.22Å; T138-E182 PolarHBondContact OG1-OE1 2.98Å; T138-E182 PolarHBondContact OG1-OE2 3.18Å; T138-K238 PolarHBondContact OG1-NZ 3.42Å; T138-L241 HydrophobicContact CG2-CD1 4.33Å |
| 139 | L | 94.4 | Very high | 90.8 | Very high | 13 Ų | 13 | 21 Ų | 21 | 7% | 0.068 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67 | -30.8 | 164.3 | -81.6 | 165.8 | 0 | 0 | 0 | 112.8 | L94 T95 L101 V135 G136 P143 I179 | L94-L139 HydrophobicContact CD1-CD2 3.39Å; L94-L139 HydrophobicContact CD2-CD2 4.42Å; L94-L139 HydrophobicContact CG-CD2 3.65Å; T95-L139 WeakPolarHBondContact CA-O 3.46Å; L101-L139 HydrophobicContact CD1-CD1 3.44Å; L101-L139 VanDerWaalsContact CD1-CD1 3.44Å; V135-L139 HydrophobicContact CG1-CD1 3.85Å; V135-L139 HydrophobicContact CG1-CG 4.49Å; V135-L139 WeakPolarHBondContact O-CB 3.22Å; V135-L139 WeakPolarHBondContact O-CG 3.37Å; V135-L139 PolarHBondContact O-N 2.79Å; G136-L139 PolarHBondContact O-N 2.97Å; L139-P143 WeakPolarHBondContact O-CD 3.37Å; L139-P143 WeakPolarHBondContact O-CG 3.36Å; L139-I179 HydrophobicContact CD2-CD1 3.42Å; L139-I179 VanDerWaalsContact CD2-CD1 3.42Å; L139-I179 HydrophobicContact CG-CD1 3.69Å; L139-I179 HydrophobicContact CG-CG1 4.47Å |
| 140 | V | 94.3 | Very high | 90.6 | Very high | 6 Ų | 6 | 22.6 Ų | 22.6 | 4% | 0.036 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -69.6 | -57.2 | 170.5 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | T95 G136 S137 T138 I144 T309 | T95-V140 HydrophobicContact CG2-CG1 4.33Å; T95-V140 PolarHBondContact OG1-O 3.18Å; G136-V140 WeakPolarHBondContact O-CG2 3.32Å; G136-V140 PolarHBondContact O-N 2.68Å; S137-V140 PolarHBondContact O-N 3.32Å; T138-V140 VanDerWaalsContact C-N 3.32Å; V140-I144 HydrophobicContact CG1-CD1 4.42Å; V140-I144 VanDerWaalsContact O-CD1 3.25Å; V140-I144 WeakPolarHBondContact O-CD1 3.43Å; V140-I144 WeakPolarHBondContact O-CG1 3.35Å; V140-T309 HydrophobicContact CG1-CG2 3.94Å |
| 141 | F | 90.9 | Very high | 90.3 | Very high | 24 Ų | 24 | 22.1 Ų | 22.1 | 11% | 0.105 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -78.1 | -41.5 | -171.2 | -76.9 | -69.7 | 0 | 0 | 0 | 114.8 | S137 I144 L145 L241 L242 A269 V273 | S137-F141 WeakPolarHBondContact O-CD2 3.47Å; S137-F141 PolarHBondContact O-N 3.24Å; F141-I144 HydrophobicContact CD1-CD1 4.41Å; F141-I144 WeakPolarHBondContact O-CB 3.39Å; F141-I144 PolarHBondContact O-N 2.95Å; F141-L145 WeakPolarHBondContact O-CG 3.01Å; F141-L145 PolarHBondContact O-N 3.27Å; F141-L241 HydrophobicContact CB-CD2 3.84Å; F141-L242 HydrophobicContact CD1-CD2 4.26Å; F141-L242 HydrophobicContact CD2-CD2 4.3Å; F141-L242 HydrophobicContact CE1-CD2 4.12Å; F141-L242 HydrophobicContact CE2-CD2 4.16Å; F141-L242 HydrophobicContact CG-CD2 4.37Å; F141-L242 HydrophobicContact CZ-CD2 4.08Å; F141-A269 HydrophobicContact CE1-CB 4.14Å; F141-V273 HydrophobicContact CE2-CG2 4.08Å; F141-V273 HydrophobicContact CZ-CB 4.35Å; F141-V273 HydrophobicContact CZ-CG2 3.74Å |
| 142 | G | 91.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -51.9 | -48.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | T138 I144 L145 G146 V175 | T138-G142 WeakPolarHBondContact O-CA 3.35Å; T138-G142 PolarHBondContact O-N 2.65Å; G142-I144 VanDerWaalsContact C-N 3.31Å; G142-I144 PolarHBondContact O-N 2.87Å; G142-L145 PolarHBondContact O-N 3.03Å; G142-G146 PolarHBondContact O-N 2.77Å; G142-V175 VanDerWaalsContact C-CG2 3.5Å |
| 143 | P | 91.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.9 | -32.2 | 177.4 | -20.6 | 32.1 | 0 | 0 | 0 | 113.4 | L91 L94 T95 L139 G146 K147 V175 | L91-P143 HydrophobicContact CB-CB 3.98Å; L91-P143 HydrophobicContact CD2-CB 4.03Å; L94-P143 HydrophobicContact CB-CG 3.98Å; L94-P143 HydrophobicContact CD2-CG 3.98Å; L94-P143 HydrophobicContact CG-CG 3.94Å; T95-P143 WeakPolarHBondContact OG1-CB 3.17Å; L139-P143 WeakPolarHBondContact O-CD 3.37Å; L139-P143 WeakPolarHBondContact O-CG 3.36Å; P143-G146 PolarHBondContact O-N 3.45Å; P143-K147 WeakPolarHBondContact O-CG 3.46Å; P143-K147 PolarHBondContact O-N 2.85Å; P143-V175 HydrophobicContact CG-CG1 4.17Å; P143-V175 HydrophobicContact CG-CG2 4.33Å |
| 144 | I | 89.3 | Confident | 88.4 | Confident | 8 Ų | 8 | 25.6 Ų | 25.6 | 4% | 0.041 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.2 | -48 | 176.1 | -50.6 | 167.2 | 0 | 0 | 0 | 109.6 | V140 F141 G142 G146 K147 T148 I266 T309 L313 | V140-I144 HydrophobicContact CG1-CD1 4.42Å; V140-I144 VanDerWaalsContact O-CD1 3.25Å; V140-I144 WeakPolarHBondContact O-CD1 3.43Å; V140-I144 WeakPolarHBondContact O-CG1 3.35Å; F141-I144 HydrophobicContact CD1-CD1 4.41Å; F141-I144 WeakPolarHBondContact O-CB 3.39Å; F141-I144 PolarHBondContact O-N 2.95Å; G142-I144 VanDerWaalsContact C-N 3.31Å; G142-I144 PolarHBondContact O-N 2.87Å; I144-G146 PolarHBondContact O-N 3.25Å; I144-K147 PolarHBondContact O-N 3.17Å; I144-T148 PolarHBondContact O-N 2.67Å; I144-T148 PolarHBondContact O-OG1 3.25Å; I144-I266 HydrophobicContact CG2-CD1 4.27Å; I144-I266 HydrophobicContact CG2-CG1 3.61Å; I144-T309 HydrophobicContact CD1-CG2 4.04Å; I144-L313 HydrophobicContact CD1-CD1 3.75Å; I144-L313 HydrophobicContact CG1-CD1 4.11Å; I144-L313 HydrophobicContact CG1-CD2 4.4Å |
| 145 | L | 87.5 | Confident | 87.4 | Confident | 12 Ų | 12 | 27.4 Ų | 27.4 | 6% | 0.063 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.1 | -43.5 | 172.9 | -64.3 | 178.4 | 0 | 0 | 0 | 111 | F141 G142 T148 W149 L241 | F141-L145 WeakPolarHBondContact O-CG 3.01Å; F141-L145 PolarHBondContact O-N 3.27Å; G142-L145 PolarHBondContact O-N 3.03Å; L145-T148 WeakPolarHBondContact O-CB 3.33Å; L145-T148 PolarHBondContact O-N 2.94Å; L145-W149 WeakPolarHBondContact O-CB 3.45Å; L145-W149 PolarHBondContact O-N 3.4Å; L145-L241 HydrophobicContact CD1-CD1 4.43Å; L145-L241 HydrophobicContact CD1-CD2 3.67Å; L145-L241 HydrophobicContact CD1-CG 3.74Å |
| 146 | G | 87.8 | Confident | 86.2 | Confident | 7 Ų | 7 | 30 Ų | 30 | 7% | 0.072 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.1 | -51.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G142 P143 I144 T148 W149 R150 L171 | G142-G146 PolarHBondContact O-N 2.77Å; P143-G146 PolarHBondContact O-N 3.45Å; I144-G146 PolarHBondContact O-N 3.25Å; G146-T148 VanDerWaalsContact C-N 3.28Å; G146-T148 PolarHBondContact O-N 3.13Å; G146-W149 PolarHBondContact O-N 3.44Å; G146-R150 PolarHBondContact O-N 3.44Å; G146-L171 WeakPolarHBondContact O-CD1 3.42Å; G146-L171 WeakPolarHBondContact O-CD2 3.44Å |
| 147 | K | 84.8 | Confident | 84.6 | Confident | 15 Ų | 15 | 35.4 Ų | 35.4 | 7% | 0.065 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.9 | -42.2 | 176.9 | -67.6 | 177.8 | -164.1 | -166.6 | 0 | 111.9 | S87 L91 N92 P143 I144 R150 L151 | S87-K147 WeakPolarHBondContact O-CE 3.41Å; S87-K147 PolarHBondContact O-NZ 2.89Å; L91-K147 HydrophobicContact CD1-CG 3.89Å; N92-K147 PolarHBondContact OD1-NZ 3.35Å; P143-K147 WeakPolarHBondContact O-CG 3.46Å; P143-K147 PolarHBondContact O-N 2.85Å; I144-K147 PolarHBondContact O-N 3.17Å; K147-R150 WeakPolarHBondContact O-CB 3.4Å; K147-R150 PolarHBondContact O-N 3.19Å; K147-L151 WeakPolarHBondContact O-CB 3.23Å; K147-L151 PolarHBondContact O-N 2.8Å |
| 148 | T | 85.3 | Confident | 82.7 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | 177.9 | -38.4 | 0 | 0 | 0 | 0 | 111.8 | I144 L145 G146 L151 Y152 L248 T252 I266 | I144-T148 PolarHBondContact O-N 2.67Å; I144-T148 PolarHBondContact O-OG1 3.25Å; L145-T148 WeakPolarHBondContact O-CB 3.33Å; L145-T148 PolarHBondContact O-N 2.94Å; G146-T148 VanDerWaalsContact C-N 3.28Å; G146-T148 PolarHBondContact O-N 3.13Å; T148-L151 WeakPolarHBondContact O-CB 3.42Å; T148-L151 PolarHBondContact O-N 3.45Å; T148-Y152 WeakPolarHBondContact O-CB 3.41Å; T148-Y152 PolarHBondContact O-N 3.02Å; T148-L248 HydrophobicContact CG2-CB 3.76Å; T148-T252 HydrophobicContact CG2-CG2 4.07Å; T148-I266 HydrophobicContact CG2-CD1 3.72Å; T148-I266 WeakPolarHBondContact OG1-CD1 3.25Å |
| 149 | W | 85.8 | Confident | 80.7 | Confident | 65 Ų | 65 | 49 Ų | 49 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.5 | -41.4 | 176.6 | -177.7 | 92.3 | 0 | 0 | 0 | 111.9 | L145 G146 L151 Y152 R153 L171 L248 | L145-W149 WeakPolarHBondContact O-CB 3.45Å; L145-W149 PolarHBondContact O-N 3.4Å; G146-W149 PolarHBondContact O-N 3.44Å; W149-L151 VanDerWaalsContact C-N 3.31Å; W149-L151 PolarHBondContact O-N 2.76Å; W149-Y152 PolarHBondContact O-N 3.16Å; W149-R153 HydrophobicContact CD2-CG 3.9Å; W149-R153 HydrophobicContact CE3-CG 4Å; W149-R153 HydrophobicContact CH2-CG 4.11Å; W149-R153 HydrophobicContact CZ2-CG 3.98Å; W149-R153 VanDerWaalsContact CZ2-NH1 3.27Å; W149-R153 HydrophobicContact CZ3-CG 4.1Å; W149-R153 WeakPolarHBondContact O-CB 3.36Å; W149-R153 WeakPolarHBondContact O-CG 3.34Å; W149-R153 PolarHBondContact O-N 2.92Å; W149-L171 HydrophobicContact CE3-CD1 4.09Å; W149-L248 HydrophobicContact CB-CD1 4.05Å |
| 150 | R | 84.9 | Confident | 79 | Confident | 61 Ų | 61 | 53.7 Ų | 53.7 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 171.3 | -175.2 | -168.4 | -166.4 | 153.8 | 18.9 | 110.8 | S88 G146 K147 R153 V154 I166 D168 L171 | S88-R150 PolarHBondContact OG-NH1 3.33Å; S88-R150 VanDerWaalsContact OG-NH1 3.08Å; G146-R150 PolarHBondContact O-N 3.44Å; K147-R150 WeakPolarHBondContact O-CB 3.4Å; K147-R150 PolarHBondContact O-N 3.19Å; R150-R153 PolarHBondContact O-N 3.02Å; R150-V154 WeakPolarHBondContact O-CB 3.4Å; R150-V154 VanDerWaalsContact O-CG2 3.27Å; R150-V154 WeakPolarHBondContact O-CG2 3.36Å; R150-V154 PolarHBondContact O-N 3.23Å; R150-I166 PolarHBondContact NH2-O 3.27Å; R150-D168 IonicContact CZ-OD1 2.68Å; R150-D168 IonicContact NH1-OD1 2.71Å; R150-D168 PolarHBondContact NH1-OD1 3.45Å; R150-D168 IonicContact NH2-OD1 2.64Å; R150-D168 PolarHBondContact NH2-OD1 3.09Å; R150-L171 HydrophobicContact CB-CD2 3.86Å; R150-L171 HydrophobicContact CG-CD2 4.38Å |
| 151 | L | 79.9 | Confident | 76.7 | Confident | 23 Ų | 23 | 60.8 Ų | 60.8 | 12% | 0.12 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.6 | -47.9 | -179.3 | -168.8 | 62.7 | 0 | 0 | 0 | 111.8 | K147 T148 W149 V154 F155 T252 V260 | K147-L151 WeakPolarHBondContact O-CB 3.23Å; K147-L151 PolarHBondContact O-N 2.8Å; T148-L151 WeakPolarHBondContact O-CB 3.42Å; T148-L151 PolarHBondContact O-N 3.45Å; W149-L151 VanDerWaalsContact C-N 3.31Å; W149-L151 PolarHBondContact O-N 2.76Å; L151-V154 PolarHBondContact O-N 2.88Å; L151-F155 HydrophobicContact CD1-CD2 3.95Å; L151-F155 HydrophobicContact CD1-CE2 3.26Å; L151-F155 HydrophobicContact CD1-CZ 3.79Å; L151-F155 HydrophobicContact CD2-CE2 4.25Å; L151-F155 HydrophobicContact CG-CD2 3.9Å; L151-F155 HydrophobicContact CG-CE2 3.55Å; L151-F155 WeakPolarHBondContact O-CD2 2.99Å; L151-F155 PolarHBondContact O-N 3.06Å; L151-T252 HydrophobicContact CB-CG2 4.34Å; L151-T252 HydrophobicContact CD2-CG2 4.21Å; L151-T252 HydrophobicContact CG-CG2 4.3Å; L151-V260 HydrophobicContact CD1-CB 4.48Å; L151-V260 HydrophobicContact CD1-CG1 3.49Å; L151-V260 VanDerWaalsContact CD1-CG1 3.49Å; L151-V260 WeakPolarHBondContact CD2-O 3.26Å |
| 152 | Y | 80.8 | Confident | 74.8 | Confident | 69 Ų | 69 | 68.5 Ų | 68.5 | 27% | 0.271 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -54.8 | -53 | 171.8 | 168.1 | -107.4 | 0 | 0 | 0 | 111.5 | T148 W149 V154 F155 T156 L248 L251 | T148-Y152 WeakPolarHBondContact O-CB 3.41Å; T148-Y152 PolarHBondContact O-N 3.02Å; W149-Y152 PolarHBondContact O-N 3.16Å; Y152-V154 VanDerWaalsContact C-N 3.32Å; Y152-V154 PolarHBondContact O-N 2.99Å; Y152-F155 PolarHBondContact O-N 3.4Å; Y152-T156 HydrophobicContact CE2-CG2 4.5Å; Y152-T156 VanDerWaalsContact CE2-OG1 3.24Å; Y152-T156 WeakPolarHBondContact CE2-OG1 3.44Å; Y152-T156 WeakPolarHBondContact O-CB 3.44Å; Y152-T156 PolarHBondContact O-N 3.27Å; Y152-T156 PolarHBondContact O-OG1 3.24Å; Y152-L248 HydrophobicContact CD1-CD2 4.48Å; Y152-L251 HydrophobicContact CD2-CB 3.99Å; Y152-L251 HydrophobicContact CD2-CD1 4.06Å; Y152-L251 HydrophobicContact CE2-CB 4.28Å; Y152-L251 HydrophobicContact CE2-CD1 3.78Å; Y152-L251 HydrophobicContact CE2-CD2 4.47Å; Y152-L251 HydrophobicContact CE2-CG 4.42Å |
| 153 | R | 80.1 | Confident | 72.9 | Confident | 79 Ų | 79 | 80.2 Ų | 80.2 | 30% | 0.298 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -54.9 | -45.1 | 177.5 | -75.6 | -71.2 | -58.9 | -95.7 | -0 | 112.3 | W149 R150 Q157 I166 | W149-R153 HydrophobicContact CD2-CG 3.9Å; W149-R153 HydrophobicContact CE3-CG 4Å; W149-R153 HydrophobicContact CH2-CG 4.11Å; W149-R153 HydrophobicContact CZ2-CG 3.98Å; W149-R153 VanDerWaalsContact CZ2-NH1 3.27Å; W149-R153 HydrophobicContact CZ3-CG 4.1Å; W149-R153 WeakPolarHBondContact O-CB 3.36Å; W149-R153 WeakPolarHBondContact O-CG 3.34Å; W149-R153 PolarHBondContact O-N 2.92Å; R150-R153 PolarHBondContact O-N 3.02Å; R153-Q157 VanDerWaalsContact CZ-OE1 3.24Å; R153-Q157 VanDerWaalsContact O-CB 3.27Å; R153-Q157 WeakPolarHBondContact O-CB 3.43Å; R153-Q157 WeakPolarHBondContact O-CG 3.47Å; R153-Q157 PolarHBondContact O-N 3.16Å; R153-I166 HydrophobicContact CB-CD1 4.27Å |
| 154 | V | 75.7 | Confident | 71.1 | Confident | 84 Ų | 84 | 85.3 Ų | 85.3 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67 | -36.7 | -179.6 | 166.8 | 0 | 0 | 0 | 0 | 112.5 | R150 L151 Y152 | R150-V154 WeakPolarHBondContact O-CB 3.4Å; R150-V154 VanDerWaalsContact O-CG2 3.27Å; R150-V154 WeakPolarHBondContact O-CG2 3.36Å; R150-V154 PolarHBondContact O-N 3.23Å; L151-V154 PolarHBondContact O-N 2.88Å; Y152-V154 VanDerWaalsContact C-N 3.32Å; Y152-V154 PolarHBondContact O-N 2.99Å |
| 155 | F | 71.3 | Confident | 69.5 | Low | 51 Ų | 51 | 92 Ų | 92 | 22% | 0.224 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -82.2 | -34.6 | 178.6 | -68.6 | -45.7 | 0 | 0 | 0 | 114 | L151 Y152 V255 | L151-F155 HydrophobicContact CD1-CD2 3.95Å; L151-F155 HydrophobicContact CD1-CE2 3.26Å; L151-F155 HydrophobicContact CD1-CZ 3.79Å; L151-F155 HydrophobicContact CD2-CE2 4.25Å; L151-F155 HydrophobicContact CG-CD2 3.9Å; L151-F155 HydrophobicContact CG-CE2 3.55Å; L151-F155 WeakPolarHBondContact O-CD2 2.99Å; L151-F155 PolarHBondContact O-N 3.06Å; Y152-F155 PolarHBondContact O-N 3.4Å; F155-V255 HydrophobicContact CD1-CG1 4.42Å; F155-V255 HydrophobicContact CD2-CB 4.13Å; F155-V255 HydrophobicContact CD2-CG1 3.97Å; F155-V255 HydrophobicContact CD2-CG2 3.81Å; F155-V255 HydrophobicContact CE1-CG1 4Å; F155-V255 HydrophobicContact CE2-CB 3.85Å; F155-V255 HydrophobicContact CE2-CG1 3.46Å; F155-V255 VanDerWaalsContact CE2-CG1 3.46Å; F155-V255 HydrophobicContact CE2-CG2 4.08Å; F155-V255 HydrophobicContact CG-CG1 4.42Å; F155-V255 HydrophobicContact CG-CG2 4.31Å; F155-V255 HydrophobicContact CZ-CB 4.39Å; F155-V255 HydrophobicContact CZ-CG1 3.5Å |
| 156 | T | 69.8 | Low | 68.2 | Low | 81 Ų | 81 | 92.4 Ų | 92.4 | 50% | 0.497 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -77.1 | -33.5 | 178.5 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | Y152 R158 | Y152-T156 HydrophobicContact CE2-CG2 4.5Å; Y152-T156 VanDerWaalsContact CE2-OG1 3.24Å; Y152-T156 WeakPolarHBondContact CE2-OG1 3.44Å; Y152-T156 WeakPolarHBondContact O-CB 3.44Å; Y152-T156 PolarHBondContact O-N 3.27Å; Y152-T156 PolarHBondContact O-OG1 3.24Å; T156-R158 PolarHBondContact O-N 3.45Å; T156-R158 VanDerWaalsContact O-N 3.1Å |
| 157 | Q | 63.1 | Low | 67.5 | Low | 114 Ų | 114 | 100 Ų | 100 | 53% | 0.533 | 47% | 0.472 | S | S | . | . | trans | -86.6 | 42.3 | 179.6 | -59.1 | -167.3 | -66.5 | 0 | 0 | 113.6 | R153 V159 | R153-Q157 VanDerWaalsContact CZ-OE1 3.24Å; R153-Q157 VanDerWaalsContact O-CB 3.27Å; R153-Q157 WeakPolarHBondContact O-CB 3.43Å; R153-Q157 WeakPolarHBondContact O-CG 3.47Å; R153-Q157 PolarHBondContact O-N 3.16Å; Q157-V159 PolarHBondContact O-N 3.04Å | ||
| 158 | R | 54.3 | Low | 66.9 | Low | 192 Ų | 192 | 101.4 Ų | 101.4 | 73% | 0.725 | 48% | 0.48 | S | S | * | . | trans | -78.8 | 51.4 | 167.5 | -77.9 | -167 | 174.1 | 110 | -13.3 | 112.2 | T156 | T156-R158 PolarHBondContact O-N 3.45Å; T156-R158 VanDerWaalsContact O-N 3.1Å | ||
| 159 | V | 51.8 | Low | 66.6 | Low | 123 Ų | 123 | 106.6 Ų | 106.6 | 75% | 0.745 | 51% | 0.506 | S | S | * | . | trans | -119.1 | 127.9 | 169.3 | -176.1 | 0 | 0 | 0 | 0 | 107.1 | Q157 | Q157-V159 PolarHBondContact O-N 3.04Š| ||
| 160 | P | 58.9 | Low | 66.5 | Low | 110 Ų | 110 | 108.1 Ų | 108.1 | 71% | 0.714 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -73.9 | 133.2 | -171.3 | 29.4 | -34.7 | 0 | 0 | 0 | 112.2 | ||
| 161 | D | 45.8 | Very low | 66.5 | Low | 155 Ų | 155 | 105.3 Ų | 105.3 | 83% | 0.829 | 51% | 0.506 | S | S | * | . | S | Bend | 178.1 | -30.9 | 119.8 | -101.5 | 0.2 | 0 | 0 | 0 | 111.4 | |||
| 162 | K | 51.4 | Low | 66.8 | Low | 187 Ų | 187 | 106.5 Ų | 106.5 | 81% | 0.813 | 51% | 0.512 | S | S | * | . | trans | -124.9 | 95.9 | 176 | -66.7 | -177.2 | -177.8 | 176.1 | 0 | 110.3 | V164 | K162-V164 PolarHBondContact O-N 2.84Š| ||
| 163 | R | 51.3 | Low | 67.2 | Low | 246 Ų | 246 | 105 Ų | 105 | 93% | 0.928 | 52% | 0.517 | S | S | * | . | trans | -67.4 | 78.3 | 165.8 | -64.2 | -170.3 | -167 | -143.9 | 7 | 108.9 | I165 | R163-I165 PolarHBondContact O-N 3.18Š| ||
| 164 | V | 52.7 | Low | 67.5 | Low | 108 Ų | 108 | 105.7 Ų | 105.7 | 66% | 0.655 | 53% | 0.525 | S | S | * | . | trans | -59.1 | 110.2 | 173.9 | 178 | 0 | 0 | 0 | 0 | 107.6 | K162 I166 | K162-V164 PolarHBondContact O-N 2.84Å; V164-I166 VanDerWaalsContact C-N 3.32Å; V164-I166 PolarHBondContact O-N 3.11Å | ||
| 165 | I | 56.6 | Low | 68.3 | Low | 147 Ų | 147 | 101.8 Ų | 101.8 | 75% | 0.754 | 50% | 0.501 | S | S | * | . | trans | -68.7 | 95.1 | 176 | -58.9 | 175.7 | 0 | 0 | 0 | 106.7 | R163 R167 | R163-I165 PolarHBondContact O-N 3.18Å; I165-R167 PolarHBondContact O-N 3.35Å | ||
| 166 | I | 60.9 | Low | 69.3 | Low | 22 Ų | 22 | 103.2 Ų | 103.2 | 11% | 0.113 | 51% | 0.514 | C | S | . | . | trans | -60.3 | 103 | 176.2 | -59.5 | 176.1 | 0 | 0 | 0 | 107.1 | R150 R153 V164 | R150-I166 PolarHBondContact NH2-O 3.27Å; R153-I166 HydrophobicContact CB-CD1 4.27Å; V164-I166 VanDerWaalsContact C-N 3.32Å; V164-I166 PolarHBondContact O-N 3.11Å | ||
| 167 | R | 71.3 | Confident | 70.4 | Confident | 165 Ų | 165 | 104.3 Ų | 104.3 | 62% | 0.623 | 52% | 0.516 | S | S | * | . | trans | -72.2 | 136 | 178 | -72 | -175 | -78.2 | 151.5 | -6.6 | 108.4 | I165 I169 Q170 | I165-R167 PolarHBondContact O-N 3.35Å; R167-I169 HydrophobicContact CB-CG2 3.87Å; R167-I169 PolarHBondContact O-N 2.89Å; R167-Q170 WeakPolarHBondContact O-CB 3.32Å; R167-Q170 PolarHBondContact O-N 3.07Å | ||
| 168 | D | 72.2 | Confident | 71.8 | Confident | 45 Ų | 45 | 101.7 Ų | 101.7 | 24% | 0.241 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -54 | -26 | -179.6 | -63.3 | 0.2 | 0 | 0 | 0 | 112.8 | R150 Q170 L171 I172 | R150-D168 IonicContact CZ-OD1 2.68Å; R150-D168 IonicContact NH1-OD1 2.71Å; R150-D168 PolarHBondContact NH1-OD1 3.45Å; R150-D168 IonicContact NH2-OD1 2.64Å; R150-D168 PolarHBondContact NH2-OD1 3.09Å; D168-Q170 VanDerWaalsContact C-N 3.32Å; D168-Q170 PolarHBondContact O-N 3.44Å; D168-L171 WeakPolarHBondContact O-CA 3.46Å; D168-L171 WeakPolarHBondContact O-CB 3.42Å; D168-L171 PolarHBondContact O-N 2.9Å; D168-I172 WeakPolarHBondContact O-CG1 3.09Å; D168-I172 PolarHBondContact O-N 3.49Å |
| 169 | I | 79.9 | Confident | 73.7 | Confident | 111 Ų | 111 | 93.7 Ų | 93.7 | 57% | 0.569 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.4 | -33.2 | 174.8 | -157.3 | 167.2 | 0 | 0 | 0 | 113.7 | R167 L171 G173 | R167-I169 HydrophobicContact CB-CG2 3.87Å; R167-I169 PolarHBondContact O-N 2.89Å; I169-L171 PolarHBondContact O-N 3.38Å; I169-G173 PolarHBondContact O-N 3.44Å |
| 170 | Q | 83.7 | Confident | 75.7 | Confident | 97 Ų | 97 | 93 Ų | 93 | 45% | 0.453 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.8 | -34.6 | 173.1 | -66.1 | 179.6 | -49.3 | 0 | 0 | 110.7 | R167 D168 G173 M174 | R167-Q170 WeakPolarHBondContact O-CB 3.32Å; R167-Q170 PolarHBondContact O-N 3.07Å; D168-Q170 VanDerWaalsContact C-N 3.32Å; D168-Q170 PolarHBondContact O-N 3.44Å; Q170-G173 PolarHBondContact O-N 2.86Å; Q170-M174 WeakPolarHBondContact O-CG 3.42Å; Q170-M174 PolarHBondContact O-N 2.84Å; Q170-M174 VanDerWaalsContact O-N 3.11Å |
| 171 | L | 83.8 | Confident | 77.3 | Confident | 2 Ų | 2 | 91.4 Ų | 91.4 | 1% | 0.01 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -79.9 | -36.5 | -176.3 | -155.2 | 49.3 | 0 | 0 | 0 | 111.9 | L91 G146 W149 R150 D168 I169 G173 M174 V175 | L91-L171 HydrophobicContact CD1-CB 4.43Å; L91-L171 HydrophobicContact CD1-CD2 3.68Å; L91-L171 HydrophobicContact CD1-CG 3.97Å; G146-L171 WeakPolarHBondContact O-CD1 3.42Å; G146-L171 WeakPolarHBondContact O-CD2 3.44Å; W149-L171 HydrophobicContact CE3-CD1 4.09Å; R150-L171 HydrophobicContact CB-CD2 3.86Å; R150-L171 HydrophobicContact CG-CD2 4.38Å; D168-L171 WeakPolarHBondContact O-CA 3.46Å; D168-L171 WeakPolarHBondContact O-CB 3.42Å; D168-L171 PolarHBondContact O-N 2.9Å; I169-L171 PolarHBondContact O-N 3.38Å; L171-G173 VanDerWaalsContact C-N 3.33Å; L171-M174 PolarHBondContact O-N 2.93Å; L171-V175 WeakPolarHBondContact O-CG2 3.34Å; L171-V175 PolarHBondContact O-N 2.72Å |
| 172 | I | 87.5 | Confident | 79.6 | Confident | 48 Ų | 48 | 84.4 Ų | 84.4 | 25% | 0.246 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 166.7 | -64.6 | 165.1 | 0 | 0 | 0 | 109.8 | N90 L91 D168 M174 V175 V176 | N90-I172 HydrophobicContact CB-CD1 4.04Å; L91-I172 HydrophobicContact CD2-CG1 3.86Å; D168-I172 WeakPolarHBondContact O-CG1 3.09Å; D168-I172 PolarHBondContact O-N 3.49Å; I172-M174 VanDerWaalsContact C-N 3.35Å; I172-M174 PolarHBondContact O-N 3.27Å; I172-V175 PolarHBondContact O-N 2.89Å; I172-V176 HydrophobicContact CG2-CG2 4.26Å; I172-V176 WeakPolarHBondContact O-CG2 3.28Å; I172-V176 PolarHBondContact O-N 3.43Å |
| 173 | G | 89 | Confident | 81.6 | Confident | 37 Ų | 37 | 78.5 Ų | 78.5 | 38% | 0.381 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.8 | -42.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I169 Q170 L171 V175 V176 L177 | I169-G173 PolarHBondContact O-N 3.44Å; Q170-G173 PolarHBondContact O-N 2.86Å; L171-G173 VanDerWaalsContact C-N 3.33Å; G173-V175 VanDerWaalsContact C-N 3.32Å; G173-V175 PolarHBondContact O-N 3.31Å; G173-V176 PolarHBondContact O-N 3.47Å; G173-L177 WeakPolarHBondContact O-CB 3.21Å; G173-L177 PolarHBondContact O-N 3.49Å |
| 174 | M | 87.1 | Confident | 83.7 | Confident | 95 Ų | 95 | 71.7 Ų | 71.7 | 47% | 0.468 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.3 | -36.7 | 173.9 | -67.5 | -59.4 | -60.9 | 0 | 0 | 112.7 | Q170 L171 I172 L178 | Q170-M174 WeakPolarHBondContact O-CG 3.42Å; Q170-M174 PolarHBondContact O-N 2.84Å; Q170-M174 VanDerWaalsContact O-N 3.11Å; L171-M174 PolarHBondContact O-N 2.93Å; I172-M174 VanDerWaalsContact C-N 3.35Å; I172-M174 PolarHBondContact O-N 3.27Å; M174-L178 WeakPolarHBondContact O-CG 3.34Å; M174-L178 PolarHBondContact O-N 3.49Å |
| 175 | V | 92.1 | Very high | 85.6 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.006 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -71.9 | -41.4 | 176.7 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | L94 G142 P143 L171 I172 G173 L177 L178 I179 | L94-V175 HydrophobicContact CD2-CB 4.26Å; L94-V175 HydrophobicContact CD2-CG1 3.85Å; G142-V175 VanDerWaalsContact C-CG2 3.5Å; P143-V175 HydrophobicContact CG-CG1 4.17Å; P143-V175 HydrophobicContact CG-CG2 4.33Å; L171-V175 WeakPolarHBondContact O-CG2 3.34Å; L171-V175 PolarHBondContact O-N 2.72Å; I172-V175 PolarHBondContact O-N 2.89Å; G173-V175 VanDerWaalsContact C-N 3.32Å; G173-V175 PolarHBondContact O-N 3.31Å; V175-L177 VanDerWaalsContact C-N 3.29Å; V175-L177 PolarHBondContact O-N 2.86Å; V175-L178 PolarHBondContact O-N 3.12Å; V175-I179 HydrophobicContact CG1-CD1 3.88Å; V175-I179 WeakPolarHBondContact O-CG1 3.48Å; V175-I179 PolarHBondContact O-N 3.16Å |
| 176 | V | 92.1 | Very high | 87.2 | Confident | 82 Ų | 82 | 61.2 Ų | 61.2 | 50% | 0.497 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 174.7 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | I172 G173 I179 L180 | I172-V176 HydrophobicContact CG2-CG2 4.26Å; I172-V176 WeakPolarHBondContact O-CG2 3.28Å; I172-V176 PolarHBondContact O-N 3.43Å; G173-V176 PolarHBondContact O-N 3.47Å; V176-I179 PolarHBondContact O-N 2.97Å; V176-L180 WeakPolarHBondContact O-CB 3.37Å; V176-L180 PolarHBondContact O-N 3.47Å |
| 177 | L | 92.7 | Very high | 88.7 | Confident | 103 Ų | 103 | 62.4 Ų | 62.4 | 54% | 0.539 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 175.3 | -178.1 | 61.2 | 0 | 0 | 0 | 112.7 | G173 V175 L180 L181 | G173-L177 WeakPolarHBondContact O-CB 3.21Å; G173-L177 PolarHBondContact O-N 3.49Å; V175-L177 VanDerWaalsContact C-N 3.29Å; V175-L177 PolarHBondContact O-N 2.86Å; L177-L180 PolarHBondContact O-N 2.97Å; L177-L181 PolarHBondContact O-N 3.35Å; L177-L181 VanDerWaalsContact O-N 3.1Å |
| 178 | L | 91.8 | Very high | 89.6 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 31% | 0.309 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 174 | -71.9 | 170 | 0 | 0 | 0 | 111.9 | T138 M174 V175 L181 E182 | T138-L178 HydrophobicContact CG2-CB 4.12Å; M174-L178 WeakPolarHBondContact O-CG 3.34Å; M174-L178 PolarHBondContact O-N 3.49Å; V175-L178 PolarHBondContact O-N 3.12Å; L178-L181 PolarHBondContact O-N 2.95Å; L178-E182 PolarHBondContact O-N 2.96Å |
| 179 | I | 93.9 | Very high | 90.5 | Very high | 24 Ų | 24 | 56.2 Ų | 56.2 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.8 | -40.2 | 177.1 | -65.4 | 161.7 | 0 | 0 | 0 | 110.9 | V135 T138 L139 V175 V176 L181 E182 I183 | V135-I179 HydrophobicContact CG1-CG2 4.13Å; T138-I179 HydrophobicContact CG2-CG1 4.05Å; L139-I179 HydrophobicContact CD2-CD1 3.42Å; L139-I179 VanDerWaalsContact CD2-CD1 3.42Å; L139-I179 HydrophobicContact CG-CD1 3.69Å; L139-I179 HydrophobicContact CG-CG1 4.47Å; V175-I179 HydrophobicContact CG1-CD1 3.88Å; V175-I179 WeakPolarHBondContact O-CG1 3.48Å; V175-I179 PolarHBondContact O-N 3.16Å; V176-I179 PolarHBondContact O-N 2.97Å; I179-L181 VanDerWaalsContact C-N 3.32Å; I179-L181 PolarHBondContact O-N 3.36Å; I179-E182 PolarHBondContact O-N 3.18Å; I179-E182 VanDerWaalsContact O-N 3.17Å; I179-I183 HydrophobicContact CG2-CD1 3.78Å; I179-I183 HydrophobicContact CG2-CG1 4.28Å; I179-I183 WeakPolarHBondContact O-CG1 3.36Å; I179-I183 PolarHBondContact O-N 3.48Å |
| 180 | L | 94.6 | Very high | 90.8 | Very high | 108 Ų | 108 | 53.6 Ų | 53.6 | 57% | 0.565 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.1 | -40.3 | 176.8 | -177.2 | 64 | 0 | 0 | 0 | 111.8 | V176 L177 I183 L184 | V176-L180 WeakPolarHBondContact O-CB 3.37Å; V176-L180 PolarHBondContact O-N 3.47Å; L177-L180 PolarHBondContact O-N 2.97Å; L180-I183 PolarHBondContact O-N 3.42Å; L180-L184 WeakPolarHBondContact O-CB 3.5Å; L180-L184 PolarHBondContact O-N 3.22Å |
| 181 | L | 93.4 | Very high | 91 | Very high | 78 Ų | 78 | 55.7 Ų | 55.7 | 41% | 0.408 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 174.4 | 179.7 | 61 | 0 | 0 | 0 | 112.2 | L177 L178 I179 L184 I185 | L177-L181 PolarHBondContact O-N 3.35Å; L177-L181 VanDerWaalsContact O-N 3.1Å; L178-L181 PolarHBondContact O-N 2.95Å; I179-L181 VanDerWaalsContact C-N 3.32Å; I179-L181 PolarHBondContact O-N 3.36Å; L181-L184 PolarHBondContact O-N 3.5Å; L181-I185 HydrophobicContact CG-CD1 4.45Å; L181-I185 WeakPolarHBondContact O-CG1 3.36Å; L181-I185 PolarHBondContact O-N 3.45Å; L181-I185 VanDerWaalsContact O-N 3.13Å |
| 182 | E | 94.1 | Very high | 91.1 | Very high | 7 Ų | 7 | 59.9 Ų | 59.9 | 3% | 0.033 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.4 | -39.4 | 175.5 | -71.6 | -172.2 | -173.7 | 0 | 0 | 112.8 | T138 L178 I179 L184 I185 L186 K238 | T138-E182 WeakPolarHBondContact CB-OE1 3.29Å; T138-E182 WeakPolarHBondContact CB-OE2 3.43Å; T138-E182 VanDerWaalsContact OG1-CD 3.22Å; T138-E182 PolarHBondContact OG1-OE1 2.98Å; T138-E182 PolarHBondContact OG1-OE2 3.18Å; L178-E182 PolarHBondContact O-N 2.96Å; I179-E182 PolarHBondContact O-N 3.18Å; I179-E182 VanDerWaalsContact O-N 3.17Å; E182-L184 VanDerWaalsContact C-N 3.28Å; E182-L184 PolarHBondContact O-N 3.29Å; E182-I185 PolarHBondContact O-N 3.41Å; E182-L186 WeakPolarHBondContact O-CB 3.35Å; E182-L186 VanDerWaalsContact O-CG 3.25Å; E182-L186 WeakPolarHBondContact O-CG 3.47Å; E182-L186 PolarHBondContact O-N 2.98Å; E182-K238 WeakPolarHBondContact OE1-CE 3.41Å; E182-K238 IonicContact OE1-NZ 2.99Å; E182-K238 PolarHBondContact OE1-NZ 3.46Å; E182-K238 IonicContact OE2-NZ 3.89Å; E182-K238 PolarHBondContact OE2-NZ 2.89Å |
| 183 | I | 93.4 | Very high | 90.9 | Very high | 63 Ų | 63 | 58.3 Ų | 58.3 | 32% | 0.323 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 172.1 | -69.3 | 170 | 0 | 0 | 0 | 109.7 | W131 V135 I179 L180 I185 L186 T187 | W131-I183 HydrophobicContact CZ3-CG2 4.44Å; V135-I183 HydrophobicContact CG2-CG1 4.3Å; I179-I183 HydrophobicContact CG2-CD1 3.78Å; I179-I183 HydrophobicContact CG2-CG1 4.28Å; I179-I183 WeakPolarHBondContact O-CG1 3.36Å; I179-I183 PolarHBondContact O-N 3.48Å; L180-I183 PolarHBondContact O-N 3.42Å; I183-I185 PolarHBondContact O-N 2.99Å; I183-L186 PolarHBondContact O-N 3.46Å; I183-T187 HydrophobicContact CG2-CG2 4.23Å; I183-T187 WeakPolarHBondContact O-CG2 3.49Å; I183-T187 PolarHBondContact O-N 3.31Å; I183-T187 PolarHBondContact O-OG1 3.47Å |
| 184 | L | 94.4 | Very high | 90.4 | Very high | 104 Ų | 104 | 58.8 Ų | 58.8 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 176.1 | -178.2 | 63.5 | 0 | 0 | 0 | 112.3 | L180 L181 E182 T187 T188 | L180-L184 WeakPolarHBondContact O-CB 3.5Å; L180-L184 PolarHBondContact O-N 3.22Å; L181-L184 PolarHBondContact O-N 3.5Å; E182-L184 VanDerWaalsContact C-N 3.28Å; E182-L184 PolarHBondContact O-N 3.29Å; L184-T187 WeakPolarHBondContact CA-OG1 3.32Å; L184-T187 PolarHBondContact O-OG1 3.27Å; L184-T188 WeakPolarHBondContact O-CB 3.07Å; L184-T188 PolarHBondContact O-N 2.85Å; L184-T188 PolarHBondContact O-OG1 2.9Å |
| 185 | I | 92.5 | Very high | 89.6 | Confident | 32 Ų | 32 | 55.5 Ų | 55.5 | 16% | 0.164 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 176.3 | -67.1 | 163.3 | 0 | 0 | 0 | 110.7 | L181 E182 I183 T188 W189 I233 I234 Q237 | L181-I185 HydrophobicContact CG-CD1 4.45Å; L181-I185 WeakPolarHBondContact O-CG1 3.36Å; L181-I185 PolarHBondContact O-N 3.45Å; L181-I185 VanDerWaalsContact O-N 3.13Å; E182-I185 PolarHBondContact O-N 3.41Å; I183-I185 PolarHBondContact O-N 2.99Å; I185-T188 PolarHBondContact O-N 3.01Å; I185-W189 PolarHBondContact O-N 3.21Å; I185-I233 HydrophobicContact CG2-CG2 4.44Å; I185-I234 HydrophobicContact CG2-CG1 4.4Å; I185-Q237 HydrophobicContact CD1-CG 4.1Å |
| 186 | L | 91.4 | Very high | 88.3 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.5 | -37 | 180 | -68.3 | 168.4 | 0 | 0 | 0 | 113 | W131 C134 V135 E182 I183 T188 W189 N190 I234 | W131-L186 HydrophobicContact CD2-CB 3.96Å; W131-L186 HydrophobicContact CD2-CD1 4.09Å; W131-L186 HydrophobicContact CE3-CB 4.31Å; W131-L186 HydrophobicContact CE3-CD1 4.3Å; W131-L186 HydrophobicContact CG-CD1 4.16Å; W131-L186 HydrophobicContact CH2-CB 4.12Å; W131-L186 VanDerWaalsContact CZ2-C 3.49Å; W131-L186 HydrophobicContact CZ2-CB 3.73Å; W131-L186 WeakPolarHBondContact CZ2-O 3.36Å; W131-L186 HydrophobicContact CZ3-CB 4.39Å; C134-L186 HydrophobicContact CB-CD1 3.89Å; C134-L186 HydrophobicContact CB-CD2 4.44Å; V135-L186 HydrophobicContact CG2-CD1 4.31Å; E182-L186 WeakPolarHBondContact O-CB 3.35Å; E182-L186 VanDerWaalsContact O-CG 3.25Å; E182-L186 WeakPolarHBondContact O-CG 3.47Å; E182-L186 PolarHBondContact O-N 2.98Å; I183-L186 PolarHBondContact O-N 3.46Å; L186-T188 VanDerWaalsContact C-N 3.34Å; L186-W189 HydrophobicContact CD2-CE3 4.31Å; L186-N190 PolarHBondContact O-N 2.99Å; L186-N190 VanDerWaalsContact O-N 3.17Å; L186-I234 HydrophobicContact CD2-CD1 4.12Å |
| 187 | T | 91 | Very high | 86.9 | Confident | 47 Ų | 47 | 62.2 Ų | 62.2 | 29% | 0.288 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.1 | -40 | 170.4 | 48.4 | 0 | 0 | 0 | 0 | 111.1 | W131 I183 L184 N190 L191 | W131-T187 HydrophobicContact CH2-CG2 3.68Å; W131-T187 HydrophobicContact CZ2-CG2 4.47Å; I183-T187 HydrophobicContact CG2-CG2 4.23Å; I183-T187 WeakPolarHBondContact O-CG2 3.49Å; I183-T187 PolarHBondContact O-N 3.31Å; I183-T187 PolarHBondContact O-OG1 3.47Å; L184-T187 WeakPolarHBondContact CA-OG1 3.32Å; L184-T187 PolarHBondContact O-OG1 3.27Å; T187-N190 PolarHBondContact O-N 3.32Å; T187-L191 WeakPolarHBondContact O-CB 3.45Å; T187-L191 VanDerWaalsContact O-CG 3.23Å; T187-L191 WeakPolarHBondContact O-CG 3.37Å; T187-L191 PolarHBondContact O-N 3.46Å |
| 188 | T | 91.8 | Very high | 84.9 | Confident | 55 Ų | 55 | 60.7 Ų | 60.7 | 34% | 0.337 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.6 | -49.3 | 179.4 | -53.4 | 0 | 0 | 0 | 0 | 110 | L184 I185 L186 N190 L191 T192 W230 | L184-T188 WeakPolarHBondContact O-CB 3.07Å; L184-T188 PolarHBondContact O-N 2.85Å; L184-T188 PolarHBondContact O-OG1 2.9Å; I185-T188 PolarHBondContact O-N 3.01Å; L186-T188 VanDerWaalsContact C-N 3.34Å; T188-N190 VanDerWaalsContact C-N 3.34Å; T188-N190 PolarHBondContact O-N 3.15Å; T188-L191 PolarHBondContact O-N 3.07Å; T188-L191 VanDerWaalsContact O-N 3.13Å; T188-T192 HydrophobicContact CG2-CG2 4.16Å; T188-T192 PolarHBondContact O-N 3.45Å; T188-T192 PolarHBondContact O-OG1 2.89Å; T188-W230 HydrophobicContact CG2-CH2 3.88Å |
| 189 | W | 89.8 | Confident | 82.8 | Confident | 24 Ų | 24 | 63.8 Ų | 63.8 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -50.9 | -52.7 | 174 | -178.2 | 8.4 | 0 | 0 | 0 | 111.5 | I185 L186 L191 T192 D193 S224 W230 L231 I234 | I185-W189 PolarHBondContact O-N 3.21Å; L186-W189 HydrophobicContact CD2-CE3 4.31Å; W189-L191 VanDerWaalsContact C-N 3.28Å; W189-L191 PolarHBondContact O-N 2.96Å; W189-T192 PolarHBondContact O-N 3.2Å; W189-D193 CarbonylContact O-C 3.57Å; W189-D193 PolarHBondContact O-N 3.38Å; W189-S224 PolarHBondContact NE1-OG 3.28Å; W189-W230 HydrophobicContact CB-CD2 3.7Å; W189-W230 HydrophobicContact CB-CE3 3.63Å; W189-W230 HydrophobicContact CB-CG 4.22Å; W189-W230 HydrophobicContact CB-CH2 4.4Å; W189-W230 HydrophobicContact CB-CZ2 4.46Å; W189-W230 HydrophobicContact CB-CZ3 3.99Å; W189-W230 AromaticContact CD1-CD1 3.32Å; W189-W230 AromaticContact CD1-CD2 3.69Å; W189-W230 AromaticContact CD1-CE2 3.85Å; W189-W230 AromaticContact CD1-CG 3.4Å; W189-W230 VanDerWaalsContact CD1-CG 3.4Å; W189-W230 AromaticContact CD1-NE1 3.57Å; W189-W230 HydrophobicContact CD2-CB 3.72Å; W189-W230 HydrophobicContact CD2-CD2 4.28Å; W189-W230 AromaticContact CD2-CG 3.86Å; W189-W230 HydrophobicContact CD2-CG 3.86Å; W189-W230 AromaticContact CE2-CG 3.87Å; W189-W230 HydrophobicContact CE3-CB 4.21Å; W189-W230 HydrophobicContact CG-CB 4Å; W189-W230 AromaticContact CG-CD1 3.98Å; W189-W230 AromaticContact CG-CD2 3.61Å; W189-W230 HydrophobicContact CG-CD2 3.61Å; W189-W230 AromaticContact CG-CE3 4Å; W189-W230 HydrophobicContact CG-CE3 4Å; W189-W230 AromaticContact CG-CG 3.58Å; W189-W230 HydrophobicContact CG-CG 3.58Å; W189-W230 HydrophobicContact CZ2-CB 4.06Å; W189-W230 AromaticContact NE1-CD1 3.43Å; W189-W230 AromaticContact NE1-CG 3.59Å; W189-L231 HydrophobicContact CH2-CD2 4.43Å; W189-I234 HydrophobicContact CE3-CD1 3.8Å; W189-I234 HydrophobicContact CZ3-CD1 3.65Å |
| 190 | N | 86.4 | Confident | 80.2 | Confident | 57 Ų | 57 | 65 Ų | 65 | 31% | 0.305 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.4 | -27.3 | -177.4 | -166.8 | 55.7 | 0 | 0 | 0 | 114.3 | Q127 W131 L186 T187 T188 | Q127-N190 PolarHBondContact NE2-ND2 3.01Å; Q127-N190 PolarHBondContact NE2-OD1 3.2Å; Q127-N190 PolarHBondContact OE1-OD1 3.19Å; W131-N190 HydrophobicContact CZ2-CB 4.48Å; L186-N190 PolarHBondContact O-N 2.99Å; L186-N190 VanDerWaalsContact O-N 3.17Å; T187-N190 PolarHBondContact O-N 3.32Å; T188-N190 VanDerWaalsContact C-N 3.34Å; T188-N190 PolarHBondContact O-N 3.15Å |
| 191 | L | 87.6 | Confident | 77.8 | Confident | 140 Ų | 140 | 64.1 Ų | 64.1 | 73% | 0.733 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -84.5 | -33.2 | 178.6 | -70.8 | 169.8 | 0 | 0 | 0 | 112.7 | T187 T188 W189 | T187-L191 WeakPolarHBondContact O-CB 3.45Å; T187-L191 VanDerWaalsContact O-CG 3.23Å; T187-L191 WeakPolarHBondContact O-CG 3.37Å; T187-L191 PolarHBondContact O-N 3.46Å; T188-L191 PolarHBondContact O-N 3.07Å; T188-L191 VanDerWaalsContact O-N 3.13Å; W189-L191 VanDerWaalsContact C-N 3.28Å; W189-L191 PolarHBondContact O-N 2.96Å |
| 192 | T | 87.1 | Confident | 75 | Confident | 91 Ų | 91 | 68.5 Ų | 68.5 | 56% | 0.558 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -93.6 | -33.8 | -176.8 | 57.8 | 0 | 0 | 0 | 0 | 114 | T188 W189 W230 | T188-T192 HydrophobicContact CG2-CG2 4.16Å; T188-T192 PolarHBondContact O-N 3.45Å; T188-T192 PolarHBondContact O-OG1 2.89Å; W189-T192 PolarHBondContact O-N 3.2Å; T192-W230 WeakPolarHBondContact OG1-CZ2 3.32Å |
| 193 | D | 82.2 | Confident | 72.3 | Confident | 14 Ų | 14 | 71.7 Ų | 71.7 | 8% | 0.075 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -139.5 | 66.6 | -175.8 | -177 | 22.3 | 0 | 0 | 0 | 109.4 | W189 V195 S224 E225 Y226 | W189-D193 CarbonylContact O-C 3.57Å; W189-D193 PolarHBondContact O-N 3.38Å; D193-V195 PolarHBondContact O-N 3.26Å; D193-S224 VanDerWaalsContact CG-OG 3.24Å; D193-S224 WeakPolarHBondContact O-CB 3.25Å; D193-S224 WeakPolarHBondContact OD1-CB 3.32Å; D193-S224 WeakPolarHBondContact OD2-CB 3.46Å; D193-S224 PolarHBondContact OD2-OG 3.13Å; D193-E225 PolarHBondContact OD1-N 3.13Å; D193-E225 PolarHBondContact OD2-N 2.93Å; D193-Y226 WeakPolarHBondContact OD2-CA 3.4Å; D193-Y226 PolarHBondContact OD2-N 3.46Å |
| 194 | P | 79.1 | Confident | 69.5 | Low | 47 Ų | 47 | 71.9 Ų | 71.9 | 31% | 0.305 | 39% | 0.39 | S | S | . | . | trans | -63.9 | 129.3 | -179.3 | 26.4 | -34.5 | 0 | 0 | 0 | 110.5 | R196 | P194-R196 PolarHBondContact O-N 3.02Š| ||
| 195 | V | 69.8 | Low | 66.7 | Low | 27 Ų | 27 | 70.3 Ų | 70.3 | 16% | 0.164 | 39% | 0.392 | C | S | . | . | trans | -61.3 | 112 | -172.8 | -171.8 | 0 | 0 | 0 | 0 | 110.9 | L126 D193 C222 | L126-V195 HydrophobicContact CD2-CG1 3.67Å; L126-V195 HydrophobicContact CG-CG1 4.44Å; D193-V195 PolarHBondContact O-N 3.26Å; V195-C222 HydrophobicContact CG1-CB 4.23Å | ||
| 196 | R | 65.5 | Low | 63.8 | Low | 177 Ų | 177 | 75.3 Ų | 75.3 | 67% | 0.668 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 133.3 | 176.8 | -58 | -55.4 | -173.6 | 161.2 | 1.5 | 110 | P194 C222 S223 | P194-R196 PolarHBondContact O-N 3.02Å; R196-C222 CarbonylContact O-C 3.42Å; R196-C222 WeakPolarHBondContact O-CA 3.37Å; R196-S223 PolarHBondContact N-O 2.71Å; R196-S223 PolarHBondContact O-N 2.94Å |
| 197 | C | 62.3 | Low | 61.1 | Low | 46 Ų | 46 | 79.4 Ų | 79.4 | 31% | 0.311 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 108.1 | 168.5 | -65.4 | 0 | 0 | 0 | 0 | 109.6 | I123 C222 | I123-C197 HydrophobicContact CG1-CB 4.5Å; I123-C197 WeakPolarHBondContact CG1-SG 3.24Å; C197-C222 HydrophobicContact CB-CB 4.1Å; C197-C222 WeakPolarHBondContact CB-SG 3.18Å; C197-C222 WeakPolarHBondContact SG-CB 3.34Å; C197-C222 CovalentContact SG-SG 2.04Å; C197-C222 PolarHBondContact SG-SG 2.94Å |
| 198 | S | 49.7 | Very low | 58.2 | Low | 72 Ų | 72 | 81 Ų | 81 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 125.4 | 172.1 | 58.2 | 0 | 0 | 0 | 0 | 109.7 | S200 S221 | S198-S200 PolarHBondContact O-N 3.17Å; S198-S221 PolarHBondContact N-O 2.89Å; S198-S221 PolarHBondContact O-N 3.01Å; S198-S221 PolarHBondContact OG-O 3.35Å |
| 199 | Q | 49.3 | Very low | 55.8 | Low | 123 Ų | 123 | 86.2 Ų | 86.2 | 58% | 0.575 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 112.8 | 174.1 | -177.8 | 163 | 100.3 | 0 | 0 | 109 | Q218 D220 | Q199-Q218 VanDerWaalsContact CD-NE2 3.27Å; Q199-Q218 HydrophobicContact CG-CG 4.23Å; Q199-D220 WeakPolarHBondContact CG-OD1 3.38Å; Q199-D220 PolarHBondContact NE2-OD1 3.28Å |
| 200 | S | 39 | Very low | 53.3 | Low | 49 Ų | 49 | 95 Ų | 95 | 34% | 0.343 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.3 | -179.9 | 72.7 | 0 | 0 | 0 | 0 | 110.7 | S198 L219 | S198-S200 PolarHBondContact O-N 3.17Å; S200-L219 PolarHBondContact N-O 2.9Å; S200-L219 PolarHBondContact O-N 2.91Å; S200-L219 PolarHBondContact OG-O 3.4Å |
| 201 | V | 43.7 | Very low | 50.7 | Low | 90 Ų | 90 | 98.7 Ų | 98.7 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 110.7 | 179.3 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | L216 | V201-L216 HydrophobicContact CG1-CD2 3.51Å; V201-L216 HydrophobicContact CG1-CG 4.38Å |
| 202 | R | 34.8 | Very low | 48.3 | Very low | 170 Ų | 170 | 95.8 Ų | 95.8 | 64% | 0.642 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 99.4 | 177.9 | -175.3 | -178.3 | -69.5 | -138 | -0.3 | 110.1 | V204 S217 L219 | R202-V204 HydrophobicContact CG-CG2 4.08Å; R202-S217 PolarHBondContact N-O 3.3Å; R202-S217 PolarHBondContact O-N 3Å; R202-S217 PolarHBondContact O-OG 3.44Å; R202-L219 HydrophobicContact CB-CD1 4.44Å |
| 203 | A | 37.2 | Very low | 45.9 | Very low | 74 Ų | 74 | 94.7 Ų | 94.7 | 61% | 0.612 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 130.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L216 | A203-L216 HydrophobicContact CB-CG 4.28Å |
| 204 | V | 35.9 | Very low | 44 | Very low | 68 Ų | 68 | 98.6 Ų | 98.6 | 41% | 0.412 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 101.1 | 171.9 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | R202 K206 S215 | R202-V204 HydrophobicContact CG-CG2 4.08Å; V204-K206 PolarHBondContact O-N 3.16Å; V204-S215 PolarHBondContact N-O 3.46Å; V204-S215 PolarHBondContact O-N 2.88Å; V204-S215 VanDerWaalsContact O-O 3.08Å; V204-S215 PolarHBondContact O-OG 3.26Å |
| 205 | A | 35.4 | Very low | 42.1 | Very low | 70 Ų | 70 | 99 Ų | 99 | 58% | 0.579 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 115.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y214 | A205-Y214 HydrophobicContact CB-CD1 3.58Å; A205-Y214 HydrophobicContact CB-CE1 3.8Å |
| 206 | K | 31.4 | Very low | 40.7 | Very low | 137 Ų | 137 | 99 Ų | 99 | 60% | 0.596 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 88.1 | 176 | -164.4 | -177.7 | -177.7 | -170.5 | 0 | 109.3 | V204 T208 S213 | V204-K206 PolarHBondContact O-N 3.16Å; K206-T208 PolarHBondContact O-N 3.3Å; K206-T208 VanDerWaalsContact O-N 3.11Å; K206-S213 PolarHBondContact N-O 3.24Å; K206-S213 PolarHBondContact O-OG 3.33Å |
| 207 | A | 33.1 | Very low | 39.5 | Very low | 89 Ų | 89 | 92.2 Ų | 92.2 | 74% | 0.736 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 110.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 208 | T | 32.1 | Very low | 38.4 | Very low | 81 Ų | 81 | 94.1 Ų | 94.1 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 143.7 | 165.2 | -55.7 | 0 | 0 | 0 | 0 | 107.3 | K206 R210 D211 | K206-T208 PolarHBondContact O-N 3.3Å; K206-T208 VanDerWaalsContact O-N 3.11Å; T208-R210 PolarHBondContact O-N 3.48Å; T208-D211 PolarHBondContact N-O 2.9Å; T208-D211 CarbonylContact O-C 3.57Å; T208-D211 PolarHBondContact O-N 3.25Å; T208-D211 VanDerWaalsContact O-N 3.15Å |
| 209 | E | 39.6 | Very low | 38.3 | Very low | 165 Ų | 165 | 94.4 Ų | 94.4 | 77% | 0.771 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -18.8 | -162.1 | -160.3 | -170.1 | 112.6 | 0 | 0 | 116.2 | ||
| 210 | R | 37.3 | Very low | 38.4 | Very low | 209 Ų | 209 | 91.5 Ų | 91.5 | 79% | 0.789 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.3 | -0.9 | -178.4 | -59.7 | -175 | -169.4 | 149.6 | 16.8 | 115.5 | T208 | T208-R210 PolarHBondContact O-N 3.48Š|
| 211 | D | 32.4 | Very low | 39.1 | Very low | 134 Ų | 134 | 91.3 Ų | 91.3 | 72% | 0.717 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 125.1 | 173.2 | -96.3 | -50 | 0 | 0 | 0 | 110.6 | T208 S213 | T208-D211 PolarHBondContact N-O 2.9Å; T208-D211 CarbonylContact O-C 3.57Å; T208-D211 PolarHBondContact O-N 3.25Å; T208-D211 VanDerWaalsContact O-N 3.15Å; D211-S213 PolarHBondContact O-N 3.28Å |
| 212 | T | 38 | Very low | 40 | Very low | 79 Ų | 79 | 89.5 Ų | 89.5 | 49% | 0.485 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 77.4 | 178.1 | 37.7 | 0 | 0 | 0 | 0 | 111.3 | Y214 | T212-Y214 WeakPolarHBondContact O-CD2 3.46Å; T212-Y214 WeakPolarHBondContact O-CE2 3.45Å; T212-Y214 PolarHBondContact O-N 3.25Å |
| 213 | S | 36.5 | Very low | 41.1 | Very low | 68 Ų | 68 | 84.5 Ų | 84.5 | 48% | 0.476 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 101.3 | 170.7 | 61.8 | 0 | 0 | 0 | 0 | 110.9 | K206 D211 S215 | K206-S213 PolarHBondContact N-O 3.24Å; K206-S213 PolarHBondContact O-OG 3.33Å; D211-S213 PolarHBondContact O-N 3.28Å; S213-S215 PolarHBondContact O-N 3.29Å |
| 214 | Y | 41.1 | Very low | 42.6 | Very low | 96 Ų | 96 | 81.2 Ų | 81.2 | 38% | 0.376 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 104.1 | 171.6 | -63.4 | -92.5 | 0 | 0 | 0 | 109.8 | L37 A205 T212 L216 | L37-Y214 HydrophobicContact CD1-CD1 4.13Å; L37-Y214 HydrophobicContact CD1-CD2 4.39Å; L37-Y214 HydrophobicContact CD1-CG 3.98Å; L37-Y214 VanDerWaalsContact CD2-CB 3.49Å; L37-Y214 HydrophobicContact CD2-CD2 4.18Å; L37-Y214 HydrophobicContact CD2-CG 4Å; A205-Y214 HydrophobicContact CB-CD1 3.58Å; A205-Y214 HydrophobicContact CB-CE1 3.8Å; T212-Y214 WeakPolarHBondContact O-CD2 3.46Å; T212-Y214 WeakPolarHBondContact O-CE2 3.45Å; T212-Y214 PolarHBondContact O-N 3.25Å; Y214-L216 PolarHBondContact O-N 2.89Å |
| 215 | S | 39.8 | Very low | 44.4 | Very low | 55 Ų | 55 | 85.3 Ų | 85.3 | 39% | 0.385 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 104.8 | 173.7 | 53.6 | 0 | 0 | 0 | 0 | 110.4 | V204 S213 | V204-S215 PolarHBondContact N-O 3.46Å; V204-S215 PolarHBondContact O-N 2.88Å; V204-S215 VanDerWaalsContact O-O 3.08Å; V204-S215 PolarHBondContact O-OG 3.26Å; S213-S215 PolarHBondContact O-N 3.29Å |
| 216 | L | 40.8 | Very low | 46.5 | Very low | 26 Ų | 26 | 87.9 Ų | 87.9 | 14% | 0.136 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 110.7 | 179 | -162.4 | 157.8 | 0 | 0 | 0 | 109.4 | L37 A41 V44 V201 A203 Y214 | L37-L216 HydrophobicContact CB-CD1 4.31Å; A41-L216 HydrophobicContact CB-CB 4.44Å; A41-L216 HydrophobicContact CB-CD1 4.45Å; A41-L216 HydrophobicContact CB-CD2 3.94Å; V44-L216 WeakPolarHBondContact CG1-O 3.47Å; V201-L216 HydrophobicContact CG1-CD2 3.51Å; V201-L216 HydrophobicContact CG1-CG 4.38Å; A203-L216 HydrophobicContact CB-CG 4.28Å; Y214-L216 PolarHBondContact O-N 2.89Å |
| 217 | S | 40.9 | Very low | 48.7 | Very low | 36 Ų | 36 | 82.4 Ų | 82.4 | 25% | 0.252 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 115.4 | -172.6 | 59.8 | 0 | 0 | 0 | 0 | 112.3 | R202 | R202-S217 PolarHBondContact N-O 3.3Å; R202-S217 PolarHBondContact O-N 3Å; R202-S217 PolarHBondContact O-OG 3.44Å |
| 218 | Q | 39.3 | Very low | 51.1 | Low | 85 Ų | 85 | 82.2 Ų | 82.2 | 40% | 0.397 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 119 | 173.1 | -168.1 | -178.4 | 37.4 | 0 | 0 | 109.2 | Q199 | Q199-Q218 VanDerWaalsContact CD-NE2 3.27Å; Q199-Q218 HydrophobicContact CG-CG 4.23Å |
| 219 | L | 47.6 | Very low | 53.8 | Low | 79 Ų | 79 | 82.7 Ų | 82.7 | 41% | 0.414 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 100.8 | 174.2 | -74.4 | 92.3 | 0 | 0 | 0 | 109.7 | S200 R202 S221 | S200-L219 PolarHBondContact N-O 2.9Å; S200-L219 PolarHBondContact O-N 2.91Å; S200-L219 PolarHBondContact OG-O 3.4Å; R202-L219 HydrophobicContact CB-CD1 4.44Å; L219-S221 PolarHBondContact O-N 2.88Å; L219-S221 PolarHBondContact O-OG 3.43Å |
| 220 | D | 50.3 | Low | 56.2 | Low | 62 Ų | 62 | 76.6 Ų | 76.6 | 33% | 0.332 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 110.7 | 164.3 | -53.8 | -51.9 | 0 | 0 | 0 | 108.2 | R46 H116 Q199 | R46-D220 IonicContact CZ-OD2 3.18Å; R46-D220 IonicContact NH1-OD2 2.71Å; R46-D220 PolarHBondContact NH1-OD2 2.79Å; R46-D220 IonicContact NH2-OD2 2.72Å; R46-D220 PolarHBondContact NH2-OD2 3.38Å; H116-D220 IonicContact CE1-OD2 3.16Å; Q199-D220 WeakPolarHBondContact CG-OD1 3.38Å; Q199-D220 PolarHBondContact NE2-OD1 3.28Å |
| 221 | S | 52.9 | Low | 58.5 | Low | 45 Ų | 45 | 68.4 Ų | 68.4 | 32% | 0.315 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 105.1 | -173.1 | -61.8 | 0 | 0 | 0 | 0 | 109.8 | S198 L219 | S198-S221 PolarHBondContact N-O 2.89Å; S198-S221 PolarHBondContact O-N 3.01Å; S198-S221 PolarHBondContact OG-O 3.35Å; L219-S221 PolarHBondContact O-N 2.88Å; L219-S221 PolarHBondContact O-OG 3.43Å |
| 222 | C | 62.5 | Low | 61.3 | Low | 51 Ų | 51 | 67.2 Ų | 67.2 | 35% | 0.345 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 108.7 | 177 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | L126 V195 R196 C197 | L126-C222 HydrophobicContact CD2-CB 3.22Å; V195-C222 HydrophobicContact CG1-CB 4.23Å; R196-C222 CarbonylContact O-C 3.42Å; R196-C222 WeakPolarHBondContact O-CA 3.37Å; C197-C222 HydrophobicContact CB-CB 4.1Å; C197-C222 WeakPolarHBondContact CB-SG 3.18Å; C197-C222 WeakPolarHBondContact SG-CB 3.34Å; C197-C222 CovalentContact SG-SG 2.04Å; C197-C222 PolarHBondContact SG-SG 2.94Å |
| 223 | S | 59.3 | Low | 63.9 | Low | 66 Ų | 66 | 67 Ų | 67 | 46% | 0.462 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 134.3 | -179.8 | -169.4 | 0 | 0 | 0 | 0 | 110.1 | R196 | R196-S223 PolarHBondContact N-O 2.71Å; R196-S223 PolarHBondContact O-N 2.94Å |
| 224 | S | 68.5 | Low | 66.5 | Low | 4 Ų | 4 | 64.9 Ų | 64.9 | 3% | 0.028 | 34% | 0.339 | C | S | . | . | trans | -84.6 | 153.1 | 160.4 | 91.8 | 0 | 0 | 0 | 0 | 108.7 | W189 D193 Y226 S227 | W189-S224 PolarHBondContact NE1-OG 3.28Å; D193-S224 VanDerWaalsContact CG-OG 3.24Å; D193-S224 WeakPolarHBondContact O-CB 3.25Å; D193-S224 WeakPolarHBondContact OD1-CB 3.32Å; D193-S224 WeakPolarHBondContact OD2-CB 3.46Å; D193-S224 PolarHBondContact OD2-OG 3.13Å; S224-Y226 VanDerWaalsContact C-N 3.3Å; S224-Y226 PolarHBondContact O-N 3.17Å; S224-S227 WeakPolarHBondContact O-CB 3.27Å; S224-S227 PolarHBondContact O-N 2.69Å; S224-S227 PolarHBondContact O-OG 2.79Å; S224-S227 VanDerWaalsContact O-OG 3.1Å; S224-S227 VanDerWaalsContact OG-CA 3.26Å; S224-S227 WeakPolarHBondContact OG-CA 3.48Å; S224-S227 VanDerWaalsContact OG-CB 3.32Å; S224-S227 WeakPolarHBondContact OG-CB 3.34Å; S224-S227 PolarHBondContact OG-N 3.35Å | ||
| 225 | E | 73.3 | Confident | 68.8 | Low | 155 Ų | 155 | 61.9 Ų | 61.9 | 72% | 0.724 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -35.1 | -169.1 | -170.8 | 170.9 | -178.8 | 0 | 0 | 111.5 | D193 | D193-E225 PolarHBondContact OD1-N 3.13Å; D193-E225 PolarHBondContact OD2-N 2.93Å |
| 226 | Y | 79.7 | Confident | 71.4 | Confident | 123 Ų | 123 | 63.5 Ų | 63.5 | 48% | 0.482 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 24.3 | 180 | -57.6 | -67 | 0 | 0 | 0 | 112.8 | D193 S224 N228 I229 W230 | D193-Y226 WeakPolarHBondContact OD2-CA 3.4Å; D193-Y226 PolarHBondContact OD2-N 3.46Å; S224-Y226 VanDerWaalsContact C-N 3.3Å; S224-Y226 PolarHBondContact O-N 3.17Å; Y226-N228 PolarHBondContact O-N 2.96Å; Y226-N228 VanDerWaalsContact O-N 3.1Å; Y226-I229 HydrophobicContact CD1-CD1 3.85Å; Y226-I229 HydrophobicContact CG-CD1 4.34Å; Y226-I229 WeakPolarHBondContact O-CA 3.37Å; Y226-I229 WeakPolarHBondContact O-CB 3.35Å; Y226-I229 PolarHBondContact O-N 3.01Å; Y226-W230 PolarHBondContact O-N 3.26Å |
| 227 | S | 78.1 | Confident | 73.8 | Confident | 23 Ų | 23 | 64.8 Ų | 64.8 | 16% | 0.161 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -46.2 | -42.4 | -178.5 | 50.8 | 0 | 0 | 0 | 0 | 114.3 | S224 I229 W230 L231 | S224-S227 WeakPolarHBondContact O-CB 3.27Å; S224-S227 PolarHBondContact O-N 2.69Å; S224-S227 PolarHBondContact O-OG 2.79Å; S224-S227 VanDerWaalsContact O-OG 3.1Å; S224-S227 VanDerWaalsContact OG-CA 3.26Å; S224-S227 WeakPolarHBondContact OG-CA 3.48Å; S224-S227 VanDerWaalsContact OG-CB 3.32Å; S224-S227 WeakPolarHBondContact OG-CB 3.34Å; S224-S227 PolarHBondContact OG-N 3.35Å; S227-I229 VanDerWaalsContact C-N 3.35Å; S227-I229 PolarHBondContact O-N 2.89Å; S227-W230 PolarHBondContact O-N 2.53Å; S227-L231 WeakPolarHBondContact O-CG 3.2Å; S227-L231 PolarHBondContact O-N 2.97Å |
| 228 | N | 83.6 | Confident | 76.3 | Confident | 84 Ų | 84 | 64.8 Ų | 64.8 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 176 | -71.2 | -53.3 | 0 | 0 | 0 | 113.1 | Y226 L231 I232 | Y226-N228 PolarHBondContact O-N 2.96Å; Y226-N228 VanDerWaalsContact O-N 3.1Å; N228-L231 PolarHBondContact O-N 2.94Å; N228-I232 WeakPolarHBondContact O-CD1 3.34Å; N228-I232 VanDerWaalsContact O-CG1 3.25Å; N228-I232 WeakPolarHBondContact O-CG1 3.4Å; N228-I232 PolarHBondContact O-N 2.98Å |
| 229 | I | 88.6 | Confident | 78.9 | Confident | 92 Ų | 92 | 62.4 Ų | 62.4 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.2 | -44.2 | 178.9 | -53.3 | -175.3 | 0 | 0 | 0 | 109.7 | Y226 S227 L231 I232 I233 | Y226-I229 HydrophobicContact CD1-CD1 3.85Å; Y226-I229 HydrophobicContact CG-CD1 4.34Å; Y226-I229 WeakPolarHBondContact O-CA 3.37Å; Y226-I229 WeakPolarHBondContact O-CB 3.35Å; Y226-I229 PolarHBondContact O-N 3.01Å; S227-I229 VanDerWaalsContact C-N 3.35Å; S227-I229 PolarHBondContact O-N 2.89Å; I229-L231 PolarHBondContact O-N 3.38Å; I229-I232 PolarHBondContact O-N 2.99Å; I229-I233 HydrophobicContact CG2-CD1 4.02Å; I229-I233 WeakPolarHBondContact O-CG1 3.48Å; I229-I233 PolarHBondContact O-N 2.85Å |
| 230 | W | 88.9 | Confident | 81 | Confident | 37 Ų | 37 | 62.1 Ų | 62.1 | 14% | 0.14 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 175.7 | -71.6 | 108.2 | 0 | 0 | 0 | 112.8 | T188 W189 T192 Y226 S227 I232 I233 I234 | T188-W230 HydrophobicContact CG2-CH2 3.88Å; W189-W230 HydrophobicContact CB-CD2 3.7Å; W189-W230 HydrophobicContact CB-CE3 3.63Å; W189-W230 HydrophobicContact CB-CG 4.22Å; W189-W230 HydrophobicContact CB-CH2 4.4Å; W189-W230 HydrophobicContact CB-CZ2 4.46Å; W189-W230 HydrophobicContact CB-CZ3 3.99Å; W189-W230 AromaticContact CD1-CD1 3.32Å; W189-W230 AromaticContact CD1-CD2 3.69Å; W189-W230 AromaticContact CD1-CE2 3.85Å; W189-W230 AromaticContact CD1-CG 3.4Å; W189-W230 VanDerWaalsContact CD1-CG 3.4Å; W189-W230 AromaticContact CD1-NE1 3.57Å; W189-W230 HydrophobicContact CD2-CB 3.72Å; W189-W230 HydrophobicContact CD2-CD2 4.28Å; W189-W230 AromaticContact CD2-CG 3.86Å; W189-W230 HydrophobicContact CD2-CG 3.86Å; W189-W230 AromaticContact CE2-CG 3.87Å; W189-W230 HydrophobicContact CE3-CB 4.21Å; W189-W230 HydrophobicContact CG-CB 4Å; W189-W230 AromaticContact CG-CD1 3.98Å; W189-W230 AromaticContact CG-CD2 3.61Å; W189-W230 HydrophobicContact CG-CD2 3.61Å; W189-W230 AromaticContact CG-CE3 4Å; W189-W230 HydrophobicContact CG-CE3 4Å; W189-W230 AromaticContact CG-CG 3.58Å; W189-W230 HydrophobicContact CG-CG 3.58Å; W189-W230 HydrophobicContact CZ2-CB 4.06Å; W189-W230 AromaticContact NE1-CD1 3.43Å; W189-W230 AromaticContact NE1-CG 3.59Å; T192-W230 WeakPolarHBondContact OG1-CZ2 3.32Å; Y226-W230 PolarHBondContact O-N 3.26Å; S227-W230 PolarHBondContact O-N 2.53Å; W230-I232 VanDerWaalsContact C-N 3.35Å; W230-I232 PolarHBondContact O-N 2.85Å; W230-I233 HydrophobicContact CE3-CD1 4.25Å; W230-I233 HydrophobicContact CZ3-CD1 4.42Å; W230-I233 PolarHBondContact O-N 3.22Å; W230-I234 VanDerWaalsContact O-CG1 3.31Å; W230-I234 WeakPolarHBondContact O-CG1 3.5Å; W230-I234 PolarHBondContact O-N 3.25Å |
| 231 | L | 86.9 | Confident | 83 | Confident | 37 Ų | 37 | 60 Ų | 60 | 19% | 0.194 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 173.5 | -71 | 173 | 0 | 0 | 0 | 112.4 | M130 W189 S227 N228 I229 A235 F284 | M130-L231 HydrophobicContact CE-CD2 4.41Å; W189-L231 HydrophobicContact CH2-CD2 4.43Å; S227-L231 WeakPolarHBondContact O-CG 3.2Å; S227-L231 PolarHBondContact O-N 2.97Å; N228-L231 PolarHBondContact O-N 2.94Å; I229-L231 PolarHBondContact O-N 3.38Å; L231-A235 VanDerWaalsContact O-CB 3.24Å; L231-A235 WeakPolarHBondContact O-CB 3.41Å; L231-A235 PolarHBondContact O-N 3.28Å; L231-F284 HydrophobicContact CD1-CE1 3.77Å; L231-F284 HydrophobicContact CD1-CZ 4.27Å |
| 232 | I | 90.1 | Very high | 84.9 | Confident | 109 Ų | 109 | 58.7 Ų | 58.7 | 56% | 0.559 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.6 | -45.4 | 174.3 | -70.8 | 163.6 | 0 | 0 | 0 | 111 | N228 I229 W230 I234 A235 V236 | N228-I232 WeakPolarHBondContact O-CD1 3.34Å; N228-I232 VanDerWaalsContact O-CG1 3.25Å; N228-I232 WeakPolarHBondContact O-CG1 3.4Å; N228-I232 PolarHBondContact O-N 2.98Å; I229-I232 PolarHBondContact O-N 2.99Å; W230-I232 VanDerWaalsContact C-N 3.35Å; W230-I232 PolarHBondContact O-N 2.85Å; I232-I234 VanDerWaalsContact C-N 3.34Å; I232-I234 PolarHBondContact O-N 3.48Å; I232-A235 PolarHBondContact O-N 3.01Å; I232-V236 HydrophobicContact CG2-CG2 4.38Å; I232-V236 WeakPolarHBondContact O-CG2 3.28Å; I232-V236 PolarHBondContact O-N 3.32Å |
| 233 | I | 92.1 | Very high | 86.3 | Confident | 73 Ų | 73 | 62 Ų | 62 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.4 | -46.8 | 177.3 | -70 | 165.1 | 0 | 0 | 0 | 110.6 | I185 I229 W230 V236 Q237 | I185-I233 HydrophobicContact CG2-CG2 4.44Å; I229-I233 HydrophobicContact CG2-CD1 4.02Å; I229-I233 WeakPolarHBondContact O-CG1 3.48Å; I229-I233 PolarHBondContact O-N 2.85Å; W230-I233 HydrophobicContact CE3-CD1 4.25Å; W230-I233 HydrophobicContact CZ3-CD1 4.42Å; W230-I233 PolarHBondContact O-N 3.22Å; I233-V236 PolarHBondContact O-N 3.14Å; I233-Q237 WeakPolarHBondContact O-CB 3.35Å; I233-Q237 PolarHBondContact O-N 3.31Å |
| 234 | I | 91.3 | Very high | 87.8 | Confident | 24 Ų | 24 | 64 Ų | 64 | 12% | 0.123 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 177.2 | -67.4 | 166.9 | 0 | 0 | 0 | 110.8 | I185 L186 W189 W230 I232 V236 Q237 K238 | I185-I234 HydrophobicContact CG2-CG1 4.4Å; L186-I234 HydrophobicContact CD2-CD1 4.12Å; W189-I234 HydrophobicContact CE3-CD1 3.8Å; W189-I234 HydrophobicContact CZ3-CD1 3.65Å; W230-I234 VanDerWaalsContact O-CG1 3.31Å; W230-I234 WeakPolarHBondContact O-CG1 3.5Å; W230-I234 PolarHBondContact O-N 3.25Å; I232-I234 VanDerWaalsContact C-N 3.34Å; I232-I234 PolarHBondContact O-N 3.48Å; I234-V236 PolarHBondContact O-N 3.01Å; I234-Q237 PolarHBondContact O-N 3.18Å; I234-K238 HydrophobicContact CG2-CG 4.3Å; I234-K238 WeakPolarHBondContact O-CB 3.22Å; I234-K238 WeakPolarHBondContact O-CG 3.36Å; I234-K238 PolarHBondContact O-N 3.12Å |
| 235 | A | 90.8 | Very high | 88.8 | Confident | 33 Ų | 33 | 63.8 Ų | 63.8 | 27% | 0.273 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L231 I232 G239 F281 | L231-A235 VanDerWaalsContact O-CB 3.24Å; L231-A235 WeakPolarHBondContact O-CB 3.41Å; L231-A235 PolarHBondContact O-N 3.28Å; I232-A235 PolarHBondContact O-N 3.01Å; A235-G239 PolarHBondContact O-N 2.93Å; A235-F281 HydrophobicContact CB-CE1 4.17Å; A235-F281 HydrophobicContact CB-CE2 4.35Å; A235-F281 HydrophobicContact CB-CZ 3.7Å |
| 236 | V | 93.4 | Very high | 89.6 | Confident | 89 Ų | 89 | 58.8 Ų | 58.8 | 54% | 0.539 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.9 | -48.4 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | I232 I233 I234 K238 G239 C240 | I232-V236 HydrophobicContact CG2-CG2 4.38Å; I232-V236 WeakPolarHBondContact O-CG2 3.28Å; I232-V236 PolarHBondContact O-N 3.32Å; I233-V236 PolarHBondContact O-N 3.14Å; I234-V236 PolarHBondContact O-N 3.01Å; V236-K238 VanDerWaalsContact C-N 3.34Å; V236-K238 PolarHBondContact O-N 3.38Å; V236-G239 WeakPolarHBondContact O-CA 3.28Å; V236-G239 PolarHBondContact O-N 3.46Å; V236-G239 VanDerWaalsContact O-N 3.12Å; V236-C240 PolarHBondContact O-N 3.45Å; V236-C240 PolarHBondContact O-SG 2.98Å; V236-C240 VanDerWaalsContact O-SG 3.38Å |
| 237 | Q | 92.7 | Very high | 90.1 | Very high | 54 Ų | 54 | 59.7 Ų | 59.7 | 25% | 0.252 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57 | -45.5 | 177.7 | 175.1 | 65.4 | -6 | 0 | 0 | 112 | I185 I233 I234 C240 L241 | I185-Q237 HydrophobicContact CD1-CG 4.1Å; I233-Q237 WeakPolarHBondContact O-CB 3.35Å; I233-Q237 PolarHBondContact O-N 3.31Å; I234-Q237 PolarHBondContact O-N 3.18Å; Q237-C240 PolarHBondContact O-N 3.09Å; Q237-L241 PolarHBondContact O-N 3.39Å; Q237-L241 VanDerWaalsContact O-N 3.14Å |
| 238 | K | 92.8 | Very high | 90.5 | Very high | 35 Ų | 35 | 58.8 Ų | 58.8 | 15% | 0.152 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.6 | -39.6 | 175.9 | -64.6 | -73.5 | 173.3 | 176 | 0 | 111.6 | C134 S137 T138 E182 I234 V236 L241 L242 | C134-K238 PolarHBondContact O-NZ 3.14Å; S137-K238 PolarHBondContact OG-NZ 2.93Å; T138-K238 PolarHBondContact OG1-NZ 3.42Å; E182-K238 WeakPolarHBondContact OE1-CE 3.41Å; E182-K238 IonicContact OE1-NZ 2.99Å; E182-K238 PolarHBondContact OE1-NZ 3.46Å; E182-K238 IonicContact OE2-NZ 3.89Å; E182-K238 PolarHBondContact OE2-NZ 2.89Å; I234-K238 HydrophobicContact CG2-CG 4.3Å; I234-K238 WeakPolarHBondContact O-CB 3.22Å; I234-K238 WeakPolarHBondContact O-CG 3.36Å; I234-K238 PolarHBondContact O-N 3.12Å; V236-K238 VanDerWaalsContact C-N 3.34Å; V236-K238 PolarHBondContact O-N 3.38Å; K238-L241 PolarHBondContact O-N 2.86Å; K238-L242 WeakPolarHBondContact O-CG 3.49Å; K238-L242 PolarHBondContact O-N 3.48Å |
| 239 | G | 93.2 | Very high | 90.7 | Very high | 36 Ų | 36 | 54.8 Ų | 54.8 | 37% | 0.371 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A235 V236 L241 L242 L243 | A235-G239 PolarHBondContact O-N 2.93Å; V236-G239 WeakPolarHBondContact O-CA 3.28Å; V236-G239 PolarHBondContact O-N 3.46Å; V236-G239 VanDerWaalsContact O-N 3.12Å; G239-L241 PolarHBondContact O-N 3.01Å; G239-L242 PolarHBondContact O-N 2.84Å; G239-L243 WeakPolarHBondContact O-CB 3.4Å; G239-L243 PolarHBondContact O-N 3.4Å |
| 240 | C | 92.9 | Very high | 90.5 | Very high | 72 Ų | 72 | 52.1 Ų | 52.1 | 49% | 0.486 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 174.7 | -69.5 | 0 | 0 | 0 | 0 | 112.3 | V236 Q237 L243 Y244 | V236-C240 PolarHBondContact O-N 3.45Å; V236-C240 PolarHBondContact O-SG 2.98Å; V236-C240 VanDerWaalsContact O-SG 3.38Å; Q237-C240 PolarHBondContact O-N 3.09Å; C240-L243 PolarHBondContact O-N 3.01Å; C240-Y244 WeakPolarHBondContact O-CB 3.29Å; C240-Y244 PolarHBondContact O-N 3.05Å |
| 241 | L | 91.3 | Very high | 90.3 | Very high | 17 Ų | 17 | 53.7 Ų | 53.7 | 9% | 0.089 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 176.3 | -176 | 148.1 | 0 | 0 | 0 | 112.2 | T138 F141 L145 Q237 K238 G239 G245 | T138-L241 HydrophobicContact CG2-CD1 4.33Å; F141-L241 HydrophobicContact CB-CD2 3.84Å; L145-L241 HydrophobicContact CD1-CD1 4.43Å; L145-L241 HydrophobicContact CD1-CD2 3.67Å; L145-L241 HydrophobicContact CD1-CG 3.74Å; Q237-L241 PolarHBondContact O-N 3.39Å; Q237-L241 VanDerWaalsContact O-N 3.14Å; K238-L241 PolarHBondContact O-N 2.86Å; G239-L241 PolarHBondContact O-N 3.01Å; L241-G245 PolarHBondContact O-N 3.5Å; L241-G245 VanDerWaalsContact O-N 3.14Å |
| 242 | L | 92 | Very high | 89.9 | Confident | 19 Ų | 19 | 52 Ų | 52 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68 | -40.2 | 175.2 | -69 | 171.5 | 0 | 0 | 0 | 112.4 | F141 K238 G239 G245 T246 V270 V273 T274 | F141-L242 HydrophobicContact CD1-CD2 4.26Å; F141-L242 HydrophobicContact CD2-CD2 4.3Å; F141-L242 HydrophobicContact CE1-CD2 4.12Å; F141-L242 HydrophobicContact CE2-CD2 4.16Å; F141-L242 HydrophobicContact CG-CD2 4.37Å; F141-L242 HydrophobicContact CZ-CD2 4.08Å; K238-L242 WeakPolarHBondContact O-CG 3.49Å; K238-L242 PolarHBondContact O-N 3.48Å; G239-L242 PolarHBondContact O-N 2.84Å; L242-G245 WeakPolarHBondContact O-CA 3.33Å; L242-G245 PolarHBondContact O-N 3.16Å; L242-G245 VanDerWaalsContact O-N 3.09Å; L242-T246 PolarHBondContact O-N 2.68Å; L242-V270 HydrophobicContact CB-CG1 3.93Å; L242-V270 HydrophobicContact CD2-CB 4.49Å; L242-V270 HydrophobicContact CD2-CG1 4.17Å; L242-V270 HydrophobicContact CD2-CG2 3.96Å; L242-V273 HydrophobicContact CD1-CG1 3.84Å; L242-V273 HydrophobicContact CD2-CG1 4.44Å; L242-T274 HydrophobicContact CD1-CG2 4.29Å |
| 243 | L | 92.6 | Very high | 89.3 | Confident | 119 Ų | 119 | 49 Ų | 49 | 62% | 0.623 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -65.4 | -39 | 175.9 | -177.2 | 64.5 | 0 | 0 | 0 | 112.2 | G239 C240 G245 T246 Y247 | G239-L243 WeakPolarHBondContact O-CB 3.4Å; G239-L243 PolarHBondContact O-N 3.4Å; C240-L243 PolarHBondContact O-N 3.01Å; L243-G245 PolarHBondContact O-N 3.47Å; L243-T246 PolarHBondContact O-N 3.41Å; L243-T246 PolarHBondContact O-OG1 3.48Å; L243-T246 VanDerWaalsContact O-OG1 3.05Å; L243-Y247 WeakPolarHBondContact O-CB 3.43Å; L243-Y247 PolarHBondContact O-N 2.95Å |
| 244 | Y | 90.8 | Very high | 88 | Confident | 108 Ų | 108 | 52.3 Ų | 52.3 | 42% | 0.424 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.2 | -34.2 | 170.8 | -175.5 | -111.2 | 0 | 0 | 0 | 111.8 | C240 L248 | C240-Y244 WeakPolarHBondContact O-CB 3.29Å; C240-Y244 PolarHBondContact O-N 3.05Å; Y244-L248 HydrophobicContact CD1-CD1 4Å; Y244-L248 HydrophobicContact CE1-CD1 3.44Å; Y244-L248 VanDerWaalsContact CE1-CD1 3.44Å; Y244-L248 HydrophobicContact CE1-CG 4.11Å; Y244-L248 HydrophobicContact CE2-CG 4.41Å; Y244-L248 WeakPolarHBondContact O-CG 3.37Å; Y244-L248 PolarHBondContact O-N 3.28Å |
| 245 | G | 90.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65 | -46.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L241 L242 L243 Y247 L248 A249 | L241-G245 PolarHBondContact O-N 3.5Å; L241-G245 VanDerWaalsContact O-N 3.14Å; L242-G245 WeakPolarHBondContact O-CA 3.33Å; L242-G245 PolarHBondContact O-N 3.16Å; L242-G245 VanDerWaalsContact O-N 3.09Å; L243-G245 PolarHBondContact O-N 3.47Å; G245-Y247 VanDerWaalsContact C-N 3.32Å; G245-Y247 PolarHBondContact O-N 2.9Å; G245-L248 PolarHBondContact O-N 2.87Å; G245-A249 WeakPolarHBondContact O-CB 3.41Å; G245-A249 PolarHBondContact O-N 3.06Å |
| 246 | T | 89.7 | Confident | 84.6 | Confident | 49 Ų | 49 | 56.1 Ų | 56.1 | 30% | 0.301 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.7 | -34.1 | 176.2 | 53.1 | 0 | 0 | 0 | 0 | 111.9 | L242 L243 A249 G250 V270 | L242-T246 PolarHBondContact O-N 2.68Å; L243-T246 PolarHBondContact O-N 3.41Å; L243-T246 PolarHBondContact O-OG1 3.48Å; L243-T246 VanDerWaalsContact O-OG1 3.05Å; T246-A249 PolarHBondContact O-N 3.35Å; T246-G250 PolarHBondContact O-N 2.8Å; T246-V270 HydrophobicContact CG2-CB 3.91Å; T246-V270 HydrophobicContact CG2-CG1 3.6Å; T246-V270 HydrophobicContact CG2-CG2 4.27Å |
| 247 | Y | 90.4 | Very high | 82.6 | Confident | 143 Ų | 143 | 58 Ų | 58 | 56% | 0.561 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.4 | -51.3 | 171.2 | 176.9 | -104.1 | 0 | 0 | 0 | 112.4 | L243 G245 A249 G250 L251 | L243-Y247 WeakPolarHBondContact O-CB 3.43Å; L243-Y247 PolarHBondContact O-N 2.95Å; G245-Y247 VanDerWaalsContact C-N 3.32Å; G245-Y247 PolarHBondContact O-N 2.9Å; Y247-A249 PolarHBondContact O-N 3.32Å; Y247-G250 PolarHBondContact O-N 2.91Å; Y247-L251 HydrophobicContact CD1-CD1 4.01Å; Y247-L251 HydrophobicContact CE1-CD1 3.5Å; Y247-L251 VanDerWaalsContact CE1-CD1 3.5Å; Y247-L251 HydrophobicContact CE2-CD1 4.29Å; Y247-L251 WeakPolarHBondContact O-CG 3.48Å; Y247-L251 PolarHBondContact O-N 3.3Å |
| 248 | L | 86.8 | Confident | 80.2 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 176.1 | -74.7 | -179.5 | 0 | 0 | 0 | 113 | T148 W149 Y152 Y244 G245 L251 T252 | T148-L248 HydrophobicContact CG2-CB 3.76Å; W149-L248 HydrophobicContact CB-CD1 4.05Å; Y152-L248 HydrophobicContact CD1-CD2 4.48Å; Y244-L248 HydrophobicContact CD1-CD1 4Å; Y244-L248 HydrophobicContact CE1-CD1 3.44Å; Y244-L248 VanDerWaalsContact CE1-CD1 3.44Å; Y244-L248 HydrophobicContact CE1-CG 4.11Å; Y244-L248 HydrophobicContact CE2-CG 4.41Å; Y244-L248 WeakPolarHBondContact O-CG 3.37Å; Y244-L248 PolarHBondContact O-N 3.28Å; G245-L248 PolarHBondContact O-N 2.87Å; L248-L251 PolarHBondContact O-N 3.19Å; L248-T252 PolarHBondContact O-N 3.15Å; L248-T252 VanDerWaalsContact O-N 3.11Å; L248-T252 PolarHBondContact O-OG1 2.97Å |
| 249 | A | 86.9 | Confident | 78 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | G245 T246 Y247 T252 S253 S263 I266 I267 | G245-A249 WeakPolarHBondContact O-CB 3.41Å; G245-A249 PolarHBondContact O-N 3.06Å; T246-A249 PolarHBondContact O-N 3.35Å; Y247-A249 PolarHBondContact O-N 3.32Å; A249-T252 WeakPolarHBondContact CA-OG1 3.49Å; A249-T252 PolarHBondContact O-N 2.86Å; A249-T252 PolarHBondContact O-OG1 3.45Å; A249-S253 WeakPolarHBondContact O-CB 3.48Å; A249-S253 PolarHBondContact O-N 3.47Å; A249-S263 WeakPolarHBondContact O-CB 3.49Å; A249-I266 HydrophobicContact CB-CB 4.06Å; A249-I266 HydrophobicContact CB-CG2 3.83Å; A249-I267 HydrophobicContact CB-CD1 4.27Å; A249-I267 HydrophobicContact CB-CG1 3.76Å |
| 250 | G | 85.4 | Confident | 76.2 | Confident | 36 Ų | 36 | 64.3 Ų | 64.3 | 37% | 0.371 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T246 Y247 T252 S253 | T246-G250 PolarHBondContact O-N 2.8Å; Y247-G250 PolarHBondContact O-N 2.91Å; G250-T252 VanDerWaalsContact C-N 3.29Å; G250-T252 PolarHBondContact O-N 3.25Å; G250-S253 PolarHBondContact O-N 2.95Å; G250-S253 PolarHBondContact O-OG 3.32Å |
| 251 | L | 84.3 | Confident | 75 | Confident | 70 Ų | 70 | 62.5 Ų | 62.5 | 37% | 0.366 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.5 | -30 | 176.8 | -70.6 | 171.7 | 0 | 0 | 0 | 113.9 | Y152 Y247 L248 | Y152-L251 HydrophobicContact CD2-CB 3.99Å; Y152-L251 HydrophobicContact CD2-CD1 4.06Å; Y152-L251 HydrophobicContact CE2-CB 4.28Å; Y152-L251 HydrophobicContact CE2-CD1 3.78Å; Y152-L251 HydrophobicContact CE2-CD2 4.47Å; Y152-L251 HydrophobicContact CE2-CG 4.42Å; Y247-L251 HydrophobicContact CD1-CD1 4.01Å; Y247-L251 HydrophobicContact CE1-CD1 3.5Å; Y247-L251 VanDerWaalsContact CE1-CD1 3.5Å; Y247-L251 HydrophobicContact CE2-CD1 4.29Å; Y247-L251 WeakPolarHBondContact O-CG 3.48Å; Y247-L251 PolarHBondContact O-N 3.3Å; L248-L251 PolarHBondContact O-N 3.19Å |
| 252 | T | 79.1 | Confident | 74.1 | Confident | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -92 | -18.3 | 179.7 | 47.2 | 0 | 0 | 0 | 0 | 114 | T148 L151 L248 A249 G250 N254 V255 | T148-T252 HydrophobicContact CG2-CG2 4.07Å; L151-T252 HydrophobicContact CB-CG2 4.34Å; L151-T252 HydrophobicContact CD2-CG2 4.21Å; L151-T252 HydrophobicContact CG-CG2 4.3Å; L248-T252 PolarHBondContact O-N 3.15Å; L248-T252 VanDerWaalsContact O-N 3.11Å; L248-T252 PolarHBondContact O-OG1 2.97Å; A249-T252 WeakPolarHBondContact CA-OG1 3.49Å; A249-T252 PolarHBondContact O-N 2.86Å; A249-T252 PolarHBondContact O-OG1 3.45Å; G250-T252 VanDerWaalsContact C-N 3.29Å; G250-T252 PolarHBondContact O-N 3.25Å; T252-N254 PolarHBondContact O-N 2.94Å; T252-N254 VanDerWaalsContact O-N 3.09Å; T252-V255 PolarHBondContact O-N 3.44Å; T252-V255 VanDerWaalsContact O-N 3.07Å |
| 253 | S | 75.7 | Confident | 73.5 | Confident | 46 Ų | 46 | 63.4 Ų | 63.4 | 32% | 0.322 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -34.7 | -174.5 | 64.8 | 0 | 0 | 0 | 0 | 115.5 | A249 G250 V255 S263 | A249-S253 WeakPolarHBondContact O-CB 3.48Å; A249-S253 PolarHBondContact O-N 3.47Å; G250-S253 PolarHBondContact O-N 2.95Å; G250-S253 PolarHBondContact O-OG 3.32Å; S253-V255 PolarHBondContact O-N 3.46Å; S253-S263 WeakPolarHBondContact CA-OG 3.45Å |
| 254 | N | 65.1 | Low | 73 | Confident | 141 Ų | 141 | 61.1 Ų | 61.1 | 75% | 0.754 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -0.4 | -177.2 | -67.2 | -72.4 | 0 | 0 | 0 | 114.3 | T252 S256 | T252-N254 PolarHBondContact O-N 2.94Å; T252-N254 VanDerWaalsContact O-N 3.09Å; N254-S256 PolarHBondContact O-N 3.27Å |
| 255 | V | 64 | Low | 72.7 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 24% | 0.236 | 33% | 0.331 | C | S | . | . | trans | -103.6 | 74.5 | -179.5 | -163.8 | 0 | 0 | 0 | 0 | 110.6 | F155 T252 S253 H257 | F155-V255 HydrophobicContact CD1-CG1 4.42Å; F155-V255 HydrophobicContact CD2-CB 4.13Å; F155-V255 HydrophobicContact CD2-CG1 3.97Å; F155-V255 HydrophobicContact CD2-CG2 3.81Å; F155-V255 HydrophobicContact CE1-CG1 4Å; F155-V255 HydrophobicContact CE2-CB 3.85Å; F155-V255 HydrophobicContact CE2-CG1 3.46Å; F155-V255 VanDerWaalsContact CE2-CG1 3.46Å; F155-V255 HydrophobicContact CE2-CG2 4.08Å; F155-V255 HydrophobicContact CG-CG1 4.42Å; F155-V255 HydrophobicContact CG-CG2 4.31Å; F155-V255 HydrophobicContact CZ-CB 4.39Å; F155-V255 HydrophobicContact CZ-CG1 3.5Å; T252-V255 PolarHBondContact O-N 3.44Å; T252-V255 VanDerWaalsContact O-N 3.07Å; S253-V255 PolarHBondContact O-N 3.46Å; V255-H257 PolarHBondContact O-N 2.93Å | ||
| 256 | S | 48.1 | Very low | 72.6 | Confident | 99 Ų | 99 | 57.4 Ų | 57.4 | 69% | 0.692 | 33% | 0.332 | S | S | * | . | trans | -72.9 | 34.1 | -167.8 | 49.7 | 0 | 0 | 0 | 0 | 116.5 | N254 P258 | N254-S256 PolarHBondContact O-N 3.27Å; S256-P258 WeakPolarHBondContact O-CD 3.47Å | ||
| 257 | H | 49.9 | Very low | 72.6 | Confident | 129 Ų | 129 | 58.3 Ų | 58.3 | 60% | 0.597 | 33% | 0.334 | S | S | * | . | trans | -90.3 | 109.8 | 171 | -67.5 | -50.2 | 0 | 0 | 0 | 110.8 | V255 P259 V260 N261 | V255-H257 PolarHBondContact O-N 2.93Å; H257-P259 VanDerWaalsContact C-CD 3.41Å; H257-V260 PolarHBondContact O-N 3.49Å; H257-V260 VanDerWaalsContact O-N 3.16Å; H257-N261 PolarHBondContact O-N 3.44Å; H257-N261 VanDerWaalsContact O-N 3.16Å | ||
| 258 | P | 43.1 | Very low | 72.5 | Confident | 110 Ų | 110 | 54.5 Ų | 54.5 | 71% | 0.714 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -26.5 | -165.5 | 21.7 | -31.5 | 0 | 0 | 0 | 117.9 | S256 V260 | S256-P258 WeakPolarHBondContact O-CD 3.47Å; P258-V260 PolarHBondContact O-N 3.06Å |
| 259 | P | 46.4 | Very low | 72.7 | Confident | 95 Ų | 95 | 54.7 Ų | 54.7 | 62% | 0.617 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -1.9 | 176.3 | 30 | -35.2 | 0 | 0 | 0 | 114.1 | H257 | H257-P259 VanDerWaalsContact C-CD 3.41Š|
| 260 | V | 56.3 | Low | 73 | Confident | 52 Ų | 52 | 55 Ų | 55 | 32% | 0.315 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131 | -21.5 | -178.2 | -150.5 | 0 | 0 | 0 | 0 | 113.8 | L151 H257 P258 Q262 | L151-V260 HydrophobicContact CD1-CB 4.48Å; L151-V260 HydrophobicContact CD1-CG1 3.49Å; L151-V260 VanDerWaalsContact CD1-CG1 3.49Å; L151-V260 WeakPolarHBondContact CD2-O 3.26Å; H257-V260 PolarHBondContact O-N 3.49Å; H257-V260 VanDerWaalsContact O-N 3.16Å; P258-V260 PolarHBondContact O-N 3.06Å; V260-Q262 PolarHBondContact O-N 3.25Å |
| 261 | N | 66 | Low | 73.3 | Confident | 34 Ų | 34 | 57 Ų | 57 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | trans | -76.2 | 95.1 | -177.5 | -170.2 | 9.1 | 0 | 0 | 0 | 113.1 | H257 S263 | H257-N261 PolarHBondContact O-N 3.44Å; H257-N261 VanDerWaalsContact O-N 3.16Å; N261-S263 VanDerWaalsContact C-N 3.35Å; N261-S263 VanDerWaalsContact OD1-CB 3.22Å; N261-S263 WeakPolarHBondContact OD1-CB 3.44Å; N261-S263 PolarHBondContact OD1-N 3.38Å; N261-S263 PolarHBondContact OD1-OG 2.89Å | ||
| 262 | Q | 72.7 | Confident | 73.8 | Confident | 48 Ų | 48 | 55.7 Ų | 55.7 | 22% | 0.224 | 33% | 0.328 | C | S | . | . | trans | -85.8 | -0.5 | 174.9 | -64.2 | -174 | -24.2 | 0 | 0 | 113.6 | V260 P264 T265 I266 | V260-Q262 PolarHBondContact O-N 3.25Å; Q262-P264 VanDerWaalsContact C-CD 3.42Å; Q262-T265 PolarHBondContact O-N 3.01Å; Q262-I266 HydrophobicContact CB-CD1 4.27Å; Q262-I266 WeakPolarHBondContact O-CD1 3.1Å; Q262-I266 WeakPolarHBondContact O-CG1 3.27Å; Q262-I266 PolarHBondContact O-N 3.43Å | ||
| 263 | S | 79.9 | Confident | 74.5 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 5% | 0.049 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.1 | -38.7 | -177.5 | 90.7 | 0 | 0 | 0 | 0 | 114.6 | A249 S253 N261 T265 I266 I267 | A249-S263 WeakPolarHBondContact O-CB 3.49Å; S253-S263 WeakPolarHBondContact CA-OG 3.45Å; N261-S263 VanDerWaalsContact C-N 3.35Å; N261-S263 VanDerWaalsContact OD1-CB 3.22Å; N261-S263 WeakPolarHBondContact OD1-CB 3.44Å; N261-S263 PolarHBondContact OD1-N 3.38Å; N261-S263 PolarHBondContact OD1-OG 2.89Å; S263-T265 PolarHBondContact O-N 3.4Å; S263-I266 PolarHBondContact O-N 3.48Å; S263-I267 VanDerWaalsContact O-CG1 3.28Å; S263-I267 WeakPolarHBondContact O-CG1 3.17Å; S263-I267 PolarHBondContact O-N 3.41Å |
| 264 | P | 82.6 | Confident | 75.3 | Confident | 70 Ų | 70 | 57.6 Ų | 57.6 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.3 | -40 | -179.2 | -21.2 | 34.5 | 0 | 0 | 0 | 112.6 | Q262 I266 I267 T268 | Q262-P264 VanDerWaalsContact C-CD 3.42Å; P264-I266 VanDerWaalsContact C-N 3.33Å; P264-I266 PolarHBondContact O-N 2.94Å; P264-I267 PolarHBondContact O-N 3.09Å; P264-T268 WeakPolarHBondContact O-CB 2.95Å; P264-T268 PolarHBondContact O-N 3.05Å; P264-T268 PolarHBondContact O-OG1 3.02Å |
| 265 | T | 84.7 | Confident | 76.6 | Confident | 24 Ų | 24 | 57.6 Ų | 57.6 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 175.4 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | Q262 S263 A269 M312 L313 | Q262-T265 PolarHBondContact O-N 3.01Å; S263-T265 PolarHBondContact O-N 3.4Å; T265-A269 VanDerWaalsContact O-CB 3.26Å; T265-A269 WeakPolarHBondContact O-CB 3.32Å; T265-A269 PolarHBondContact O-N 3.22Å; T265-M312 HydrophobicContact CG2-CB 3.76Å; T265-M312 WeakPolarHBondContact CG2-O 3.45Å; T265-M312 PolarHBondContact OG1-O 2.96Å; T265-L313 HydrophobicContact CG2-CD2 3.72Å; T265-L313 HydrophobicContact CG2-CG 3.89Å |
| 266 | I | 87.9 | Confident | 78.1 | Confident | 7 Ų | 7 | 56.6 Ų | 56.6 | 4% | 0.036 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.7 | -47.6 | -179.5 | -61.7 | 152 | 0 | 0 | 0 | 110.9 | I144 T148 A249 Q262 S263 P264 T268 A269 V270 | I144-I266 HydrophobicContact CG2-CD1 4.27Å; I144-I266 HydrophobicContact CG2-CG1 3.61Å; T148-I266 HydrophobicContact CG2-CD1 3.72Å; T148-I266 WeakPolarHBondContact OG1-CD1 3.25Å; A249-I266 HydrophobicContact CB-CB 4.06Å; A249-I266 HydrophobicContact CB-CG2 3.83Å; Q262-I266 HydrophobicContact CB-CD1 4.27Å; Q262-I266 WeakPolarHBondContact O-CD1 3.1Å; Q262-I266 WeakPolarHBondContact O-CG1 3.27Å; Q262-I266 PolarHBondContact O-N 3.43Å; S263-I266 PolarHBondContact O-N 3.48Å; P264-I266 VanDerWaalsContact C-N 3.33Å; P264-I266 PolarHBondContact O-N 2.94Å; I266-T268 VanDerWaalsContact C-N 3.3Å; I266-T268 PolarHBondContact O-N 3.39Å; I266-A269 PolarHBondContact O-N 3.16Å; I266-V270 HydrophobicContact CG2-CG2 4.4Å; I266-V270 WeakPolarHBondContact O-CG2 3.34Å; I266-V270 PolarHBondContact O-N 3.37Å |
| 267 | I | 88.4 | Confident | 80.2 | Confident | 68 Ų | 68 | 53.9 Ų | 53.9 | 35% | 0.349 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 178.6 | -66.1 | 167.5 | 0 | 0 | 0 | 109.7 | A249 S263 P264 V270 T271 | A249-I267 HydrophobicContact CB-CD1 4.27Å; A249-I267 HydrophobicContact CB-CG1 3.76Å; S263-I267 VanDerWaalsContact O-CG1 3.28Å; S263-I267 WeakPolarHBondContact O-CG1 3.17Å; S263-I267 PolarHBondContact O-N 3.41Å; P264-I267 PolarHBondContact O-N 3.09Å; I267-V270 PolarHBondContact O-N 3.14Å; I267-T271 HydrophobicContact CG2-CG2 4.47Å; I267-T271 WeakPolarHBondContact O-CG2 3.3Å; I267-T271 PolarHBondContact O-N 3.25Å; I267-T271 PolarHBondContact O-OG1 2.64Å; I267-T271 VanDerWaalsContact O-OG1 3.05Å |
| 268 | T | 89.4 | Confident | 82.2 | Confident | 63 Ų | 63 | 50.9 Ų | 50.9 | 39% | 0.387 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 179.7 | -51.6 | 0 | 0 | 0 | 0 | 112.7 | P264 I266 T271 L272 | P264-T268 WeakPolarHBondContact O-CB 2.95Å; P264-T268 PolarHBondContact O-N 3.05Å; P264-T268 PolarHBondContact O-OG1 3.02Å; I266-T268 VanDerWaalsContact C-N 3.3Å; I266-T268 PolarHBondContact O-N 3.39Å; T268-T271 PolarHBondContact O-OG1 3.21Å; T268-L272 VanDerWaalsContact O-CB 3.31Å; T268-L272 WeakPolarHBondContact O-CB 3.22Å; T268-L272 PolarHBondContact O-N 3.11Å; T268-L272 VanDerWaalsContact O-N 3.07Å |
| 269 | A | 91.2 | Very high | 84.7 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.6 | -40.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F141 T265 I266 V273 T309 | F141-A269 HydrophobicContact CE1-CB 4.14Å; T265-A269 VanDerWaalsContact O-CB 3.26Å; T265-A269 WeakPolarHBondContact O-CB 3.32Å; T265-A269 PolarHBondContact O-N 3.22Å; I266-A269 PolarHBondContact O-N 3.16Å; A269-V273 PolarHBondContact O-N 2.9Å; A269-T309 HydrophobicContact CB-CG2 4.13Å |
| 270 | V | 92.4 | Very high | 86.8 | Confident | 8 Ų | 8 | 45 Ų | 45 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.5 | -44.6 | 177 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | L242 T246 I266 I267 L272 V273 T274 | L242-V270 HydrophobicContact CB-CG1 3.93Å; L242-V270 HydrophobicContact CD2-CB 4.49Å; L242-V270 HydrophobicContact CD2-CG1 4.17Å; L242-V270 HydrophobicContact CD2-CG2 3.96Å; T246-V270 HydrophobicContact CG2-CB 3.91Å; T246-V270 HydrophobicContact CG2-CG1 3.6Å; T246-V270 HydrophobicContact CG2-CG2 4.27Å; I266-V270 HydrophobicContact CG2-CG2 4.4Å; I266-V270 WeakPolarHBondContact O-CG2 3.34Å; I266-V270 PolarHBondContact O-N 3.37Å; I267-V270 PolarHBondContact O-N 3.14Å; V270-L272 VanDerWaalsContact C-N 3.3Å; V270-L272 PolarHBondContact O-N 3.18Å; V270-V273 PolarHBondContact O-N 3.3Å; V270-T274 HydrophobicContact CG1-CG2 4.06Å; V270-T274 WeakPolarHBondContact O-CG2 3.41Å; V270-T274 PolarHBondContact O-N 2.95Å; V270-T274 PolarHBondContact O-OG1 2.96Å; V270-T274 VanDerWaalsContact O-OG1 3.12Å |
| 271 | T | 91.7 | Very high | 88.4 | Confident | 76 Ų | 76 | 47.5 Ų | 47.5 | 47% | 0.466 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.6 | -34.6 | 178.7 | 53.5 | 0 | 0 | 0 | 0 | 112.7 | I267 T268 T274 F275 | I267-T271 HydrophobicContact CG2-CG2 4.47Å; I267-T271 WeakPolarHBondContact O-CG2 3.3Å; I267-T271 PolarHBondContact O-N 3.25Å; I267-T271 PolarHBondContact O-OG1 2.64Å; I267-T271 VanDerWaalsContact O-OG1 3.05Å; T268-T271 PolarHBondContact O-OG1 3.21Å; T271-T274 PolarHBondContact O-OG1 3.42Å; T271-F275 VanDerWaalsContact O-CB 3.25Å; T271-F275 WeakPolarHBondContact O-CB 3.49Å; T271-F275 PolarHBondContact O-N 3.46Å |
| 272 | L | 94.1 | Very high | 89.6 | Confident | 43 Ų | 43 | 48.6 Ų | 48.6 | 23% | 0.225 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.6 | -46.7 | 173.5 | -177.7 | 62 | 0 | 0 | 0 | 111.7 | T268 V270 F275 S276 I304 A308 | T268-L272 VanDerWaalsContact O-CB 3.31Å; T268-L272 WeakPolarHBondContact O-CB 3.22Å; T268-L272 PolarHBondContact O-N 3.11Å; T268-L272 VanDerWaalsContact O-N 3.07Å; V270-L272 VanDerWaalsContact C-N 3.3Å; V270-L272 PolarHBondContact O-N 3.18Å; L272-F275 PolarHBondContact O-N 3.49Å; L272-S276 WeakPolarHBondContact O-CB 3.42Å; L272-S276 PolarHBondContact O-N 2.77Å; L272-S276 PolarHBondContact O-OG 3.44Å; L272-I304 HydrophobicContact CD1-CG2 4.28Å; L272-I304 HydrophobicContact CD2-CG2 4.37Å; L272-A308 HydrophobicContact CD2-CB 3.35Å |
| 273 | V | 93.9 | Very high | 90.4 | Very high | 27 Ų | 27 | 47.3 Ų | 47.3 | 16% | 0.164 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 178.8 | 166.3 | 0 | 0 | 0 | 0 | 112.4 | F141 L242 A269 V270 S277 C305 | F141-V273 HydrophobicContact CE2-CG2 4.08Å; F141-V273 HydrophobicContact CZ-CB 4.35Å; F141-V273 HydrophobicContact CZ-CG2 3.74Å; L242-V273 HydrophobicContact CD1-CG1 3.84Å; L242-V273 HydrophobicContact CD2-CG1 4.44Å; A269-V273 PolarHBondContact O-N 2.9Å; V270-V273 PolarHBondContact O-N 3.3Å; V273-S277 VanDerWaalsContact O-CB 3.22Å; V273-S277 WeakPolarHBondContact O-CB 3.4Å; V273-S277 PolarHBondContact O-N 2.68Å; V273-S277 PolarHBondContact O-OG 3.24Å; V273-S277 VanDerWaalsContact O-OG 3.1Å; V273-C305 HydrophobicContact CG2-CB 3.69Å |
| 274 | T | 92.5 | Very high | 90.7 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 176 | 55.9 | 0 | 0 | 0 | 0 | 110.7 | L242 V270 T271 S277 A278 | L242-T274 HydrophobicContact CD1-CG2 4.29Å; V270-T274 HydrophobicContact CG1-CG2 4.06Å; V270-T274 WeakPolarHBondContact O-CG2 3.41Å; V270-T274 PolarHBondContact O-N 2.95Å; V270-T274 PolarHBondContact O-OG1 2.96Å; V270-T274 VanDerWaalsContact O-OG1 3.12Å; T271-T274 PolarHBondContact O-OG1 3.42Å; T274-S277 PolarHBondContact O-N 3.35Å; T274-S277 PolarHBondContact O-OG 3.25Å; T274-A278 WeakPolarHBondContact O-CB 3.44Å; T274-A278 PolarHBondContact O-N 3.11Å |
| 275 | F | 94.1 | Very high | 90.8 | Very high | 141 Ų | 141 | 52 Ų | 52 | 62% | 0.618 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60 | -51.7 | 175.6 | -179.7 | -101.3 | 0 | 0 | 0 | 112.7 | T271 L272 S277 A278 V279 | T271-F275 VanDerWaalsContact O-CB 3.25Å; T271-F275 WeakPolarHBondContact O-CB 3.49Å; T271-F275 PolarHBondContact O-N 3.46Å; L272-F275 PolarHBondContact O-N 3.49Å; F275-S277 VanDerWaalsContact C-N 3.32Å; F275-S277 PolarHBondContact O-N 3.07Å; F275-A278 PolarHBondContact O-N 3.02Å; F275-V279 HydrophobicContact CZ-CG2 4.4Å; F275-V279 PolarHBondContact O-N 3.49Å |
| 276 | S | 94.3 | Very high | 90.9 | Very high | 18 Ų | 18 | 58.4 Ų | 58.4 | 13% | 0.126 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.2 | -35 | 179.5 | -68.5 | 0 | 0 | 0 | 0 | 112.8 | L272 V279 A280 C305 | L272-S276 WeakPolarHBondContact O-CB 3.42Å; L272-S276 PolarHBondContact O-N 2.77Å; L272-S276 PolarHBondContact O-OG 3.44Å; S276-V279 PolarHBondContact O-N 2.9Å; S276-A280 VanDerWaalsContact O-CB 3.28Å; S276-A280 WeakPolarHBondContact O-CB 3.29Å; S276-A280 PolarHBondContact O-N 2.87Å; S276-C305 VanDerWaalsContact CB-SG 3.52Å |
| 277 | S | 92.3 | Very high | 90.8 | Very high | 41 Ų | 41 | 61.1 Ų | 61.1 | 29% | 0.287 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.7 | -40 | 173.1 | 73.5 | 0 | 0 | 0 | 0 | 112.3 | V273 T274 F275 V279 A280 F281 | V273-S277 VanDerWaalsContact O-CB 3.22Å; V273-S277 WeakPolarHBondContact O-CB 3.4Å; V273-S277 PolarHBondContact O-N 2.68Å; V273-S277 PolarHBondContact O-OG 3.24Å; V273-S277 VanDerWaalsContact O-OG 3.1Å; T274-S277 PolarHBondContact O-N 3.35Å; T274-S277 PolarHBondContact O-OG 3.25Å; F275-S277 VanDerWaalsContact C-N 3.32Å; F275-S277 PolarHBondContact O-N 3.07Å; S277-V279 PolarHBondContact O-N 3.42Å; S277-A280 PolarHBondContact O-N 3.19Å; S277-A280 VanDerWaalsContact O-N 3.15Å; S277-F281 WeakPolarHBondContact O-CD2 3.38Å; S277-F281 PolarHBondContact O-N 3.42Å |
| 278 | A | 92.8 | Very high | 90.3 | Very high | 66 Ų | 66 | 64.3 Ų | 64.3 | 55% | 0.545 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65 | -22 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | T274 F275 P282 | T274-A278 WeakPolarHBondContact O-CB 3.44Å; T274-A278 PolarHBondContact O-N 3.11Å; F275-A278 PolarHBondContact O-N 3.02Å; A278-P282 WeakPolarHBondContact O-CD 3.32Å; A278-P282 VanDerWaalsContact O-CG 3.29Å; A278-P282 WeakPolarHBondContact O-CG 3.28Å |
| 279 | V | 94.4 | Very high | 89.7 | Confident | 68 Ų | 68 | 64.5 Ų | 64.5 | 41% | 0.412 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -86.5 | -44 | 168.8 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | F275 S276 S277 V283 T297 | F275-V279 HydrophobicContact CZ-CG2 4.4Å; F275-V279 PolarHBondContact O-N 3.49Å; S276-V279 PolarHBondContact O-N 2.9Å; S277-V279 PolarHBondContact O-N 3.42Å; V279-V283 WeakPolarHBondContact O-CG2 3.18Å; V279-V283 PolarHBondContact O-N 3.01Å; V279-T297 HydrophobicContact CG1-CG2 4.24Å |
| 280 | A | 91.6 | Very high | 89.4 | Confident | 14 Ų | 14 | 72.6 Ų | 72.6 | 12% | 0.116 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.1 | -39.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | S276 S277 V283 F284 T297 A301 | S276-A280 VanDerWaalsContact O-CB 3.28Å; S276-A280 WeakPolarHBondContact O-CB 3.29Å; S276-A280 PolarHBondContact O-N 2.87Å; S277-A280 PolarHBondContact O-N 3.19Å; S277-A280 VanDerWaalsContact O-N 3.15Å; A280-V283 PolarHBondContact O-N 2.58Å; A280-F284 VanDerWaalsContact O-CB 3.31Å; A280-F284 WeakPolarHBondContact O-CB 3.18Å; A280-F284 PolarHBondContact O-N 3.4Å; A280-T297 HydrophobicContact CB-CG2 4.22Å; A280-A301 HydrophobicContact CB-CB 4.48Å |
| 281 | F | 89.7 | Confident | 88.8 | Confident | 104 Ų | 104 | 74.5 Ų | 74.5 | 46% | 0.456 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.9 | -50 | -179.6 | -87.2 | -74.8 | 0 | 0 | 0 | 112.8 | A235 S277 V283 F284 F285 | A235-F281 HydrophobicContact CB-CE1 4.17Å; A235-F281 HydrophobicContact CB-CE2 4.35Å; A235-F281 HydrophobicContact CB-CZ 3.7Å; S277-F281 WeakPolarHBondContact O-CD2 3.38Å; S277-F281 PolarHBondContact O-N 3.42Å; F281-V283 PolarHBondContact O-N 2.9Å; F281-F284 PolarHBondContact O-N 3.49Å; F281-F285 PolarHBondContact O-N 3.28Å |
| 282 | P | 90.8 | Very high | 88.7 | Confident | 57 Ų | 57 | 73.5 Ų | 73.5 | 37% | 0.37 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.7 | -39.1 | 174.9 | -26.1 | 36.5 | 0 | 0 | 0 | 113.5 | A278 F285 F286 | A278-P282 WeakPolarHBondContact O-CD 3.32Å; A278-P282 VanDerWaalsContact O-CG 3.29Å; A278-P282 WeakPolarHBondContact O-CG 3.28Å; P282-F285 PolarHBondContact O-N 2.91Å; P282-F286 HydrophobicContact CB-CD2 4.08Å; P282-F286 HydrophobicContact CB-CE2 4.37Å; P282-F286 WeakPolarHBondContact O-CB 3.37Å; P282-F286 WeakPolarHBondContact O-CD2 3.28Å; P282-F286 PolarHBondContact O-N 2.84Å |
| 283 | V | 90.6 | Very high | 88.5 | Confident | 22 Ų | 22 | 75.2 Ų | 75.2 | 13% | 0.133 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 176.5 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | V279 A280 F281 F285 L287 L293 V294 T297 | V279-V283 WeakPolarHBondContact O-CG2 3.18Å; V279-V283 PolarHBondContact O-N 3.01Å; A280-V283 PolarHBondContact O-N 2.58Å; F281-V283 PolarHBondContact O-N 2.9Å; V283-F285 VanDerWaalsContact C-N 3.35Å; V283-F285 PolarHBondContact O-N 3.4Å; V283-L287 HydrophobicContact CG1-CB 4.49Å; V283-L287 HydrophobicContact CG1-CD1 4.42Å; V283-L287 HydrophobicContact CG2-CD1 4.35Å; V283-L287 WeakPolarHBondContact O-CA 3.26Å; V283-L287 WeakPolarHBondContact O-CB 3.46Å; V283-L287 PolarHBondContact O-N 3.2Å; V283-L293 HydrophobicContact CG1-CG 4.15Å; V283-V294 HydrophobicContact CG1-CG2 4.28Å; V283-T297 HydrophobicContact CB-CG2 4.19Å; V283-T297 HydrophobicContact CG1-CG2 4.21Å; V283-T297 HydrophobicContact CG2-CG2 4.28Å |
| 284 | F | 85.9 | Confident | 88.3 | Confident | 56 Ų | 56 | 74.8 Ų | 74.8 | 25% | 0.246 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 176.8 | 177.1 | -93.5 | 0 | 0 | 0 | 112.7 | L231 A280 F281 V294 | L231-F284 HydrophobicContact CD1-CE1 3.77Å; L231-F284 HydrophobicContact CD1-CZ 4.27Å; A280-F284 VanDerWaalsContact O-CB 3.31Å; A280-F284 WeakPolarHBondContact O-CB 3.18Å; A280-F284 PolarHBondContact O-N 3.4Å; F281-F284 PolarHBondContact O-N 3.49Å; F284-V294 HydrophobicContact CB-CG1 4.37Å; F284-V294 HydrophobicContact CD2-CG1 3.78Å |
| 285 | F | 83.9 | Confident | 88.2 | Confident | 120 Ų | 120 | 72.5 Ų | 72.5 | 53% | 0.526 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -79.1 | -55 | -177.1 | -170.1 | -98.2 | 0 | 0 | 0 | 112.9 | F281 P282 V283 | F281-F285 PolarHBondContact O-N 3.28Å; P282-F285 PolarHBondContact O-N 2.91Å; V283-F285 VanDerWaalsContact C-N 3.35Å; V283-F285 PolarHBondContact O-N 3.4Å |
| 286 | F | 86.5 | Confident | 88.1 | Confident | 157 Ų | 157 | 68 Ų | 68 | 69% | 0.689 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -82 | -27.8 | -173.4 | -64.8 | -68.9 | 0 | 0 | 0 | 113.9 | P282 | P282-F286 HydrophobicContact CB-CD2 4.08Å; P282-F286 HydrophobicContact CB-CE2 4.37Å; P282-F286 WeakPolarHBondContact O-CB 3.37Å; P282-F286 WeakPolarHBondContact O-CD2 3.28Å; P282-F286 PolarHBondContact O-N 2.84Å |
| 287 | L | 86.6 | Confident | 88 | Confident | 65 Ų | 65 | 68.6 Ų | 68.6 | 34% | 0.34 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 22.2 | -174.1 | -53.2 | 178 | 0 | 0 | 0 | 112.9 | V283 A289 W290 L293 V294 | V283-L287 HydrophobicContact CG1-CB 4.49Å; V283-L287 HydrophobicContact CG1-CD1 4.42Å; V283-L287 HydrophobicContact CG2-CD1 4.35Å; V283-L287 WeakPolarHBondContact O-CA 3.26Å; V283-L287 WeakPolarHBondContact O-CB 3.46Å; V283-L287 PolarHBondContact O-N 3.2Å; L287-A289 PolarHBondContact O-N 3.1Å; L287-W290 PolarHBondContact O-N 2.83Å; L287-L293 HydrophobicContact CB-CD2 4.44Å; L287-L293 HydrophobicContact CD1-CD2 3.57Å; L287-V294 WeakPolarHBondContact O-CG2 3.46Å |
| 288 | H | 77.4 | Confident | 88 | Confident | 134 Ų | 134 | 67.7 Ų | 67.7 | 62% | 0.62 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -30.1 | 176.8 | -169 | 84.8 | 0 | 0 | 0 | 113.9 | W290 | H288-W290 PolarHBondContact O-N 3.38Å; H288-W290 VanDerWaalsContact O-N 3.16Å |
| 289 | A | 77 | Confident | 88.1 | Confident | 68 Ų | 68 | 64.6 Ų | 64.6 | 56% | 0.562 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -11.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115 | L287 P291 | L287-A289 PolarHBondContact O-N 3.1Å; A289-P291 WeakPolarHBondContact O-CD 3.45Å |
| 290 | W | 84.1 | Confident | 88.1 | Confident | 177 Ų | 177 | 62.4 Ų | 62.4 | 67% | 0.67 | 32% | 0.324 | S | S | * | . | trans | -119.2 | 73.9 | -176.3 | -61.8 | 96.2 | 0 | 0 | 0 | 111 | L287 H288 N292 L293 V294 | L287-W290 PolarHBondContact O-N 2.83Å; H288-W290 PolarHBondContact O-N 3.38Å; H288-W290 VanDerWaalsContact O-N 3.16Å; W290-N292 VanDerWaalsContact C-N 3.26Å; W290-N292 PolarHBondContact O-N 3.49Å; W290-N292 VanDerWaalsContact O-N 3.14Å; W290-L293 HydrophobicContact CB-CB 4.13Å; W290-L293 PolarHBondContact O-N 2.97Å; W290-V294 PolarHBondContact O-N 3.48Å; W290-V294 VanDerWaalsContact O-N 3.14Å | ||
| 291 | P | 81.1 | Confident | 88.3 | Confident | 47 Ų | 47 | 62.6 Ų | 62.6 | 31% | 0.305 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.6 | -34.1 | -171.2 | 21.6 | -33.8 | 0 | 0 | 0 | 113.6 | L49 A289 L293 V294 Y295 | L49-P291 HydrophobicContact CD1-CB 4.35Å; A289-P291 WeakPolarHBondContact O-CD 3.45Å; P291-L293 VanDerWaalsContact C-N 3.32Å; P291-L293 PolarHBondContact O-N 3.43Å; P291-V294 PolarHBondContact O-N 2.88Å; P291-Y295 VanDerWaalsContact O-CB 3.26Å; P291-Y295 WeakPolarHBondContact O-CB 3.26Å; P291-Y295 PolarHBondContact O-N 2.98Å |
| 292 | N | 88.4 | Confident | 88.5 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.4 | -41.9 | 173.2 | -77.7 | -68.1 | 0 | 0 | 0 | 112.9 | L49 S50 L53 W290 S296 | L49-N292 WeakPolarHBondContact CA-OD1 3.48Å; S50-N292 PolarHBondContact N-OD1 3.48Å; L53-N292 HydrophobicContact CD2-CB 4.02Å; L53-N292 VanDerWaalsContact CD2-O 3.27Å; L53-N292 WeakPolarHBondContact CD2-O 3.45Å; W290-N292 VanDerWaalsContact C-N 3.26Å; W290-N292 PolarHBondContact O-N 3.49Å; W290-N292 VanDerWaalsContact O-N 3.14Å; N292-S296 VanDerWaalsContact O-CB 3.23Å; N292-S296 WeakPolarHBondContact O-CB 3.24Å; N292-S296 PolarHBondContact O-N 2.93Å; N292-S296 VanDerWaalsContact O-N 3.13Å |
| 293 | L | 90.6 | Very high | 88.8 | Confident | 79 Ų | 79 | 57 Ų | 57 | 41% | 0.414 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -73.2 | -48 | 179.6 | 179.4 | 57.9 | 0 | 0 | 0 | 110.7 | V283 L287 W290 P291 Y295 S296 T297 | V283-L293 HydrophobicContact CG1-CG 4.15Å; L287-L293 HydrophobicContact CB-CD2 4.44Å; L287-L293 HydrophobicContact CD1-CD2 3.57Å; W290-L293 HydrophobicContact CB-CB 4.13Å; W290-L293 PolarHBondContact O-N 2.97Å; P291-L293 VanDerWaalsContact C-N 3.32Å; P291-L293 PolarHBondContact O-N 3.43Å; L293-Y295 PolarHBondContact O-N 3.48Å; L293-S296 PolarHBondContact O-N 3.06Å; L293-T297 PolarHBondContact O-N 3.48Å; L293-T297 PolarHBondContact O-OG1 3.34Å |
| 294 | V | 89.6 | Confident | 89 | Confident | 17 Ų | 17 | 60.3 Ų | 60.3 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.4 | -47.5 | 178.7 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | V283 F284 L287 W290 P291 T297 V298 | V283-V294 HydrophobicContact CG1-CG2 4.28Å; F284-V294 HydrophobicContact CB-CG1 4.37Å; F284-V294 HydrophobicContact CD2-CG1 3.78Å; L287-V294 WeakPolarHBondContact O-CG2 3.46Å; W290-V294 PolarHBondContact O-N 3.48Å; W290-V294 VanDerWaalsContact O-N 3.14Å; P291-V294 PolarHBondContact O-N 2.88Å; V294-T297 PolarHBondContact O-N 3.22Å; V294-V298 HydrophobicContact CG1-CG2 4.34Å; V294-V298 WeakPolarHBondContact O-CB 3.22Å; V294-V298 VanDerWaalsContact O-CG2 3.3Å; V294-V298 WeakPolarHBondContact O-CG2 3.37Å; V294-V298 PolarHBondContact O-N 3.33Å |
| 295 | Y | 89.4 | Confident | 89.5 | Confident | 15 Ų | 15 | 58.2 Ų | 58.2 | 6% | 0.059 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 176.3 | 176.9 | -105.7 | 0 | 0 | 0 | 112 | L49 L53 V57 G106 F109 A110 P291 L293 T297 V298 A299 | L49-Y295 HydrophobicContact CD1-CG 4.41Å; L49-Y295 HydrophobicContact CD2-CD1 3.63Å; L49-Y295 HydrophobicContact CD2-CD2 4.38Å; L49-Y295 HydrophobicContact CD2-CE1 4.03Å; L49-Y295 HydrophobicContact CD2-CG 3.83Å; L49-Y295 HydrophobicContact CG-CD1 4.36Å; L53-Y295 HydrophobicContact CD2-CD1 4.33Å; L53-Y295 HydrophobicContact CG-CD1 4.48Å; V57-Y295 HydrophobicContact CB-CE1 3.79Å; V57-Y295 HydrophobicContact CG1-CE1 3.79Å; V57-Y295 WeakPolarHBondContact CG1-OH 3.31Å; V57-Y295 HydrophobicContact CG2-CE1 3.86Å; G106-Y295 PolarHBondContact O-OH 3.44Å; F109-Y295 HydrophobicContact CB-CD2 4Å; F109-Y295 HydrophobicContact CB-CE2 3.84Å; A110-Y295 HydrophobicContact CB-CE1 4.46Å; A110-Y295 HydrophobicContact CB-CE2 3.7Å; A110-Y295 WeakPolarHBondContact CB-OH 3.44Å; P291-Y295 VanDerWaalsContact O-CB 3.26Å; P291-Y295 WeakPolarHBondContact O-CB 3.26Å; P291-Y295 PolarHBondContact O-N 2.98Å; L293-Y295 PolarHBondContact O-N 3.48Å; Y295-T297 PolarHBondContact O-N 3.36Å; Y295-V298 PolarHBondContact O-N 3.05Å; Y295-A299 HydrophobicContact CD2-CB 4.42Å; Y295-A299 HydrophobicContact CE1-CB 4.48Å; Y295-A299 HydrophobicContact CE2-CB 3.95Å; Y295-A299 VanDerWaalsContact O-CB 3.25Å; Y295-A299 WeakPolarHBondContact O-CB 3.46Å; Y295-A299 PolarHBondContact O-N 2.92Å |
| 296 | S | 92.4 | Very high | 90 | Very high | 47 Ų | 47 | 53 Ų | 53 | 33% | 0.329 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 179.6 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | N292 L293 G300 | N292-S296 VanDerWaalsContact O-CB 3.23Å; N292-S296 WeakPolarHBondContact O-CB 3.24Å; N292-S296 PolarHBondContact O-N 2.93Å; N292-S296 VanDerWaalsContact O-N 3.13Å; L293-S296 PolarHBondContact O-N 3.06Å; S296-G300 WeakPolarHBondContact O-CA 3.35Å; S296-G300 PolarHBondContact O-N 3.41Å |
| 297 | T | 93.6 | Very high | 90.4 | Very high | 30 Ų | 30 | 48 Ų | 48 | 18% | 0.184 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.8 | -44.8 | 179.3 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | V279 A280 V283 L293 V294 Y295 A301 | V279-T297 HydrophobicContact CG1-CG2 4.24Å; A280-T297 HydrophobicContact CB-CG2 4.22Å; V283-T297 HydrophobicContact CB-CG2 4.19Å; V283-T297 HydrophobicContact CG1-CG2 4.21Å; V283-T297 HydrophobicContact CG2-CG2 4.28Å; L293-T297 PolarHBondContact O-N 3.48Å; L293-T297 PolarHBondContact O-OG1 3.34Å; V294-T297 PolarHBondContact O-N 3.22Å; Y295-T297 PolarHBondContact O-N 3.36Å; T297-A301 WeakPolarHBondContact O-CB 3.38Å; T297-A301 PolarHBondContact O-N 2.71Å |
| 298 | V | 92.2 | Very high | 90.8 | Very high | 22 Ų | 22 | 46.3 Ų | 46.3 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.5 | -50 | -178.7 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | V294 Y295 A301 I302 | V294-V298 HydrophobicContact CG1-CG2 4.34Å; V294-V298 WeakPolarHBondContact O-CB 3.22Å; V294-V298 VanDerWaalsContact O-CG2 3.3Å; V294-V298 WeakPolarHBondContact O-CG2 3.37Å; V294-V298 PolarHBondContact O-N 3.33Å; Y295-V298 PolarHBondContact O-N 3.05Å; V298-A301 PolarHBondContact O-N 2.99Å; V298-I302 HydrophobicContact CG1-CD1 4.01Å; V298-I302 VanDerWaalsContact O-CG1 3.31Å; V298-I302 WeakPolarHBondContact O-CG1 3.45Å; V298-I302 PolarHBondContact O-N 3.05Å |
| 299 | A | 93.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.8 | -35.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V57 Y295 I302 F303 | V57-A299 HydrophobicContact CG1-CB 3.57Å; Y295-A299 HydrophobicContact CD2-CB 4.42Å; Y295-A299 HydrophobicContact CE1-CB 4.48Å; Y295-A299 HydrophobicContact CE2-CB 3.95Å; Y295-A299 VanDerWaalsContact O-CB 3.25Å; Y295-A299 WeakPolarHBondContact O-CB 3.46Å; Y295-A299 PolarHBondContact O-N 2.92Å; A299-I302 PolarHBondContact O-N 3.19Å; A299-F303 WeakPolarHBondContact O-CB 3.22Å; A299-F303 PolarHBondContact O-N 3.12Å |
| 300 | G | 94.4 | Very high | 92.3 | Very high | 23 Ų | 23 | 36.9 Ų | 36.9 | 24% | 0.237 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S296 F303 I304 | S296-G300 WeakPolarHBondContact O-CA 3.35Å; S296-G300 PolarHBondContact O-N 3.41Å; G300-F303 PolarHBondContact O-N 3.34Å; G300-I304 WeakPolarHBondContact O-CB 3.35Å; G300-I304 VanDerWaalsContact O-CG1 3.3Å; G300-I304 WeakPolarHBondContact O-CG1 3.07Å; G300-I304 PolarHBondContact O-N 2.9Å |
| 301 | A | 95.4 | Very high | 92.7 | Very high | 17 Ų | 17 | 30.2 Ų | 30.2 | 14% | 0.14 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.7 | -47.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A280 T297 V298 F303 I304 C305 | A280-A301 HydrophobicContact CB-CB 4.48Å; T297-A301 WeakPolarHBondContact O-CB 3.38Å; T297-A301 PolarHBondContact O-N 2.71Å; V298-A301 PolarHBondContact O-N 2.99Å; A301-F303 VanDerWaalsContact C-N 3.32Å; A301-F303 PolarHBondContact O-N 3.4Å; A301-I304 PolarHBondContact O-N 3.5Å; A301-C305 VanDerWaalsContact O-CB 3.24Å; A301-C305 WeakPolarHBondContact O-CB 3.33Å; A301-C305 PolarHBondContact O-N 3.19Å; A301-C305 PolarHBondContact O-SG 3.24Å |
| 302 | I | 95.1 | Very high | 93.1 | Very high | 16 Ų | 16 | 32.7 Ų | 32.7 | 8% | 0.082 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.3 | -47 | 175.4 | -69 | 164.7 | 0 | 0 | 0 | 110.5 | F109 L133 V298 A299 T306 | F109-I302 HydrophobicContact CD2-CD1 4.48Å; F109-I302 HydrophobicContact CE2-CD1 4.43Å; L133-I302 HydrophobicContact CD1-CD1 3.85Å; L133-I302 HydrophobicContact CD1-CG1 3.96Å; L133-I302 HydrophobicContact CD2-CD1 4.34Å; V298-I302 HydrophobicContact CG1-CD1 4.01Å; V298-I302 VanDerWaalsContact O-CG1 3.31Å; V298-I302 WeakPolarHBondContact O-CG1 3.45Å; V298-I302 PolarHBondContact O-N 3.05Å; A299-I302 PolarHBondContact O-N 3.19Å; I302-T306 WeakPolarHBondContact O-CB 3.4Å; I302-T306 PolarHBondContact O-N 2.86Å; I302-T306 VanDerWaalsContact O-N 3.09Å; I302-T306 PolarHBondContact O-OG1 3.23Å |
| 303 | F | 96.3 | Very high | 93.1 | Very high | 28 Ų | 28 | 30.5 Ų | 30.5 | 12% | 0.123 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62 | -56.2 | 179.3 | 176 | -112 | 0 | 0 | 0 | 112.3 | M60 L61 Y103 A299 G300 A301 C305 T306 L307 | M60-F303 HydrophobicContact CB-CD1 4.25Å; M60-F303 HydrophobicContact CB-CD2 4.28Å; M60-F303 HydrophobicContact CB-CE1 4.08Å; M60-F303 HydrophobicContact CB-CE2 4.13Å; M60-F303 HydrophobicContact CB-CG 4.35Å; M60-F303 HydrophobicContact CB-CZ 4.02Å; M60-F303 HydrophobicContact CG-CE1 4.39Å; M60-F303 WeakPolarHBondContact O-CE2 3.37Å; M60-F303 HydrophobicContact SD-CE1 3.93Å; M60-F303 HydrophobicContact SD-CZ 3.97Å; L61-F303 HydrophobicContact CD2-CB 4.26Å; Y103-F303 HydrophobicContact CE1-CD2 4.01Å; A299-F303 WeakPolarHBondContact O-CB 3.22Å; A299-F303 PolarHBondContact O-N 3.12Å; G300-F303 PolarHBondContact O-N 3.34Å; A301-F303 VanDerWaalsContact C-N 3.32Å; A301-F303 PolarHBondContact O-N 3.4Å; F303-C305 PolarHBondContact O-N 2.87Å; F303-T306 PolarHBondContact O-N 2.97Å; F303-L307 HydrophobicContact CE1-CD2 4.02Å; F303-L307 HydrophobicContact CE2-CD2 4.24Å; F303-L307 HydrophobicContact CZ-CD2 3.71Å; F303-L307 WeakPolarHBondContact O-CB 3.47Å; F303-L307 PolarHBondContact O-N 3.48Å |
| 304 | I | 95.8 | Very high | 93 | Very high | 91 Ų | 91 | 26.8 Ų | 26.8 | 47% | 0.467 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.8 | -45.4 | -175.5 | -67.6 | 167.1 | 0 | 0 | 0 | 111.2 | L272 G300 A301 A308 | L272-I304 HydrophobicContact CD1-CG2 4.28Å; L272-I304 HydrophobicContact CD2-CG2 4.37Å; G300-I304 WeakPolarHBondContact O-CB 3.35Å; G300-I304 VanDerWaalsContact O-CG1 3.3Å; G300-I304 WeakPolarHBondContact O-CG1 3.07Å; G300-I304 PolarHBondContact O-N 2.9Å; A301-I304 PolarHBondContact O-N 3.5Å; I304-A308 VanDerWaalsContact O-CB 3.29Å; I304-A308 WeakPolarHBondContact O-CB 3.22Å; I304-A308 PolarHBondContact O-N 3.4Å |
| 305 | C | 95.1 | Very high | 93 | Very high | 13 Ų | 13 | 29 Ų | 29 | 9% | 0.088 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.3 | -45.6 | 179.8 | -66.8 | 0 | 0 | 0 | 0 | 112.3 | V273 S276 A301 F303 T309 | V273-C305 HydrophobicContact CG2-CB 3.69Å; S276-C305 VanDerWaalsContact CB-SG 3.52Å; A301-C305 VanDerWaalsContact O-CB 3.24Å; A301-C305 WeakPolarHBondContact O-CB 3.33Å; A301-C305 PolarHBondContact O-N 3.19Å; A301-C305 PolarHBondContact O-SG 3.24Å; F303-C305 PolarHBondContact O-N 2.87Å; C305-T309 VanDerWaalsContact O-CB 3.29Å; C305-T309 WeakPolarHBondContact O-CB 3.46Å; C305-T309 PolarHBondContact O-N 3.21Å; C305-T309 PolarHBondContact O-OG1 3Å |
| 306 | T | 94.8 | Very high | 92.8 | Very high | 11 Ų | 11 | 30.8 Ų | 30.8 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.4 | -42.9 | -178.4 | -52.3 | 0 | 0 | 0 | 0 | 110.9 | S99 T102 Y103 I302 F303 T309 N310 | S99-T306 VanDerWaalsContact CB-CG2 3.45Å; T102-T306 PolarHBondContact OG1-OG1 3.05Å; Y103-T306 HydrophobicContact CD2-CG2 4.46Å; Y103-T306 HydrophobicContact CE1-CG2 3.88Å; Y103-T306 HydrophobicContact CE2-CG2 3.79Å; Y103-T306 VanDerWaalsContact CZ-CG2 3.46Å; I302-T306 WeakPolarHBondContact O-CB 3.4Å; I302-T306 PolarHBondContact O-N 2.86Å; I302-T306 VanDerWaalsContact O-N 3.09Å; I302-T306 PolarHBondContact O-OG1 3.23Å; F303-T306 PolarHBondContact O-N 2.97Å; T306-T309 PolarHBondContact O-N 2.92Å; T306-N310 WeakPolarHBondContact O-CB 3.38Å; T306-N310 PolarHBondContact O-N 3.32Å |
| 307 | L | 95.8 | Very high | 92.4 | Very high | 50 Ų | 50 | 29.2 Ų | 29.2 | 26% | 0.262 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.6 | -52.8 | 177.4 | 175.7 | 60 | 0 | 0 | 0 | 111.5 | L67 Y103 F303 T309 N310 C311 | L67-L307 HydrophobicContact CD2-CD1 3.37Å; Y103-L307 PolarHBondContact OH-N 3.44Å; F303-L307 HydrophobicContact CE1-CD2 4.02Å; F303-L307 HydrophobicContact CE2-CD2 4.24Å; F303-L307 HydrophobicContact CZ-CD2 3.71Å; F303-L307 WeakPolarHBondContact O-CB 3.47Å; F303-L307 PolarHBondContact O-N 3.48Å; L307-T309 VanDerWaalsContact C-N 3.35Å; L307-T309 PolarHBondContact O-N 3.38Å; L307-N310 PolarHBondContact O-N 3.01Å; L307-C311 WeakPolarHBondContact O-CB 3.35Å; L307-C311 PolarHBondContact O-N 3.44Å; L307-C311 PolarHBondContact O-SG 3.02Å; L307-C311 VanDerWaalsContact O-SG 3.35Å |
| 308 | A | 94.5 | Very high | 92.1 | Very high | 31 Ų | 31 | 30.3 Ų | 30.3 | 26% | 0.256 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.5 | -40.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L272 I304 C311 M312 | L272-A308 HydrophobicContact CD2-CB 3.35Å; I304-A308 VanDerWaalsContact O-CB 3.29Å; I304-A308 WeakPolarHBondContact O-CB 3.22Å; I304-A308 PolarHBondContact O-N 3.4Å; A308-C311 PolarHBondContact O-N 3.22Å; A308-M312 WeakPolarHBondContact O-CB 3.38Å; A308-M312 VanDerWaalsContact O-CG 3.28Å; A308-M312 WeakPolarHBondContact O-CG 3.48Å; A308-M312 PolarHBondContact O-N 3.49Å |
| 309 | T | 92.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.9 | -47.6 | 176.4 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | V140 I144 A269 C305 T306 L307 M312 L313 | V140-T309 HydrophobicContact CG1-CG2 3.94Å; I144-T309 HydrophobicContact CD1-CG2 4.04Å; A269-T309 HydrophobicContact CB-CG2 4.13Å; C305-T309 VanDerWaalsContact O-CB 3.29Å; C305-T309 WeakPolarHBondContact O-CB 3.46Å; C305-T309 PolarHBondContact O-N 3.21Å; C305-T309 PolarHBondContact O-OG1 3Å; T306-T309 PolarHBondContact O-N 2.92Å; L307-T309 VanDerWaalsContact C-N 3.35Å; L307-T309 PolarHBondContact O-N 3.38Å; T309-M312 PolarHBondContact O-N 2.94Å; T309-L313 HydrophobicContact CG2-CD1 3.98Å; T309-L313 WeakPolarHBondContact O-CB 3.5Å; T309-L313 WeakPolarHBondContact O-CD1 3.17Å; T309-L313 VanDerWaalsContact O-CG 3.27Å; T309-L313 WeakPolarHBondContact O-CG 3.21Å; T309-L313 PolarHBondContact O-N 3.46Å; T309-L313 VanDerWaalsContact O-N 3.11Å |
| 310 | N | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | 176 | -81 | -3.2 | 0 | 0 | 0 | 111.5 | F71 S99 T306 L307 M312 L313 F314 | F71-N310 HydrophobicContact CD2-CB 4.4Å; F71-N310 HydrophobicContact CE2-CB 4.31Å; S99-N310 VanDerWaalsContact CB-ND2 3.32Å; S99-N310 WeakPolarHBondContact CB-ND2 3.45Å; S99-N310 PolarHBondContact OG-ND2 3.07Å; T306-N310 WeakPolarHBondContact O-CB 3.38Å; T306-N310 PolarHBondContact O-N 3.32Å; L307-N310 PolarHBondContact O-N 3.01Å; N310-M312 PolarHBondContact O-N 3.1Å; N310-L313 PolarHBondContact O-N 3.34Å; N310-F314 WeakPolarHBondContact O-CB 3.15Å; N310-F314 VanDerWaalsContact O-CD2 3.32Å; N310-F314 WeakPolarHBondContact O-CD2 3.1Å; N310-F314 PolarHBondContact O-N 2.91Å |
| 311 | C | 92.1 | Very high | 90.7 | Very high | 38 Ų | 38 | 36 Ų | 36 | 26% | 0.257 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.4 | -47.7 | 177.9 | -73.6 | 0 | 0 | 0 | 0 | 112.3 | L307 A308 L313 F314 V315 | L307-C311 WeakPolarHBondContact O-CB 3.35Å; L307-C311 PolarHBondContact O-N 3.44Å; L307-C311 PolarHBondContact O-SG 3.02Å; L307-C311 VanDerWaalsContact O-SG 3.35Å; A308-C311 PolarHBondContact O-N 3.22Å; C311-L313 PolarHBondContact O-N 3.41Å; C311-F314 PolarHBondContact O-N 3.27Å; C311-V315 HydrophobicContact CB-CG2 4.16Å; C311-V315 VanDerWaalsContact O-CB 3.22Å; C311-V315 WeakPolarHBondContact O-CB 3.4Å; C311-V315 WeakPolarHBondContact O-CG2 3.31Å; C311-V315 PolarHBondContact O-N 2.89Å |
| 312 | M | 89.6 | Confident | 90.2 | Very high | 98 Ų | 98 | 42.8 Ų | 42.8 | 48% | 0.483 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69.4 | -14.7 | 179.9 | -68.1 | -66.6 | -176.1 | 0 | 0 | 114.1 | T265 A308 T309 N310 | T265-M312 HydrophobicContact CG2-CB 3.76Å; T265-M312 WeakPolarHBondContact CG2-O 3.45Å; T265-M312 PolarHBondContact OG1-O 2.96Å; A308-M312 WeakPolarHBondContact O-CB 3.38Å; A308-M312 VanDerWaalsContact O-CG 3.28Å; A308-M312 WeakPolarHBondContact O-CG 3.48Å; A308-M312 PolarHBondContact O-N 3.49Å; T309-M312 PolarHBondContact O-N 2.94Å; N310-M312 PolarHBondContact O-N 3.1Å |
| 313 | L | 88 | Confident | 89.7 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 5% | 0.052 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -90.8 | -45.2 | 171.3 | -72.4 | 167.6 | 0 | 0 | 0 | 112.6 | T95 I144 T265 T309 N310 C311 Q317 | T95-L313 HydrophobicContact CG2-CD1 3.91Å; I144-L313 HydrophobicContact CD1-CD1 3.75Å; I144-L313 HydrophobicContact CG1-CD1 4.11Å; I144-L313 HydrophobicContact CG1-CD2 4.4Å; T265-L313 HydrophobicContact CG2-CD2 3.72Å; T265-L313 HydrophobicContact CG2-CG 3.89Å; T309-L313 HydrophobicContact CG2-CD1 3.98Å; T309-L313 WeakPolarHBondContact O-CB 3.5Å; T309-L313 WeakPolarHBondContact O-CD1 3.17Å; T309-L313 VanDerWaalsContact O-CG 3.27Å; T309-L313 WeakPolarHBondContact O-CG 3.21Å; T309-L313 PolarHBondContact O-N 3.46Å; T309-L313 VanDerWaalsContact O-N 3.11Å; N310-L313 PolarHBondContact O-N 3.34Å; C311-L313 PolarHBondContact O-N 3.41Å; L313-Q317 PolarHBondContact O-NE2 3.37Å |
| 314 | F | 89.3 | Confident | 88.8 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -100 | -30.2 | -166.9 | -70.6 | -76.5 | 0 | 0 | 0 | 114.5 | F71 N92 L96 N310 C311 Q317 L318 | F71-F314 HydrophobicContact CB-CB 4.38Å; F71-F314 HydrophobicContact CB-CD1 4.25Å; F71-F314 HydrophobicContact CB-CD2 4.35Å; F71-F314 HydrophobicContact CB-CG 4.06Å; F71-F314 HydrophobicContact CD1-CB 3.71Å; F71-F314 HydrophobicContact CD1-CG 4.32Å; F71-F314 HydrophobicContact CD2-CB 3.84Å; F71-F314 HydrophobicContact CD2-CD2 4.04Å; F71-F314 HydrophobicContact CD2-CG 4.06Å; F71-F314 HydrophobicContact CE1-CB 3.82Å; F71-F314 HydrophobicContact CE2-CB 3.95Å; F71-F314 HydrophobicContact CG-CB 3.73Å; F71-F314 HydrophobicContact CG-CD1 4.5Å; F71-F314 HydrophobicContact CG-CD2 4.28Å; F71-F314 AromaticContact CG-CG 3.92Å; F71-F314 HydrophobicContact CG-CG 3.92Å; F71-F314 HydrophobicContact CZ-CB 3.94Å; N92-F314 HydrophobicContact CB-CE1 3.75Å; N92-F314 HydrophobicContact CB-CZ 3.77Å; L96-F314 HydrophobicContact CD1-CE1 3.87Å; L96-F314 HydrophobicContact CD1-CE2 4.05Å; L96-F314 HydrophobicContact CD1-CZ 3.51Å; L96-F314 HydrophobicContact CD2-CD2 4.07Å; L96-F314 HydrophobicContact CD2-CE2 3.53Å; L96-F314 HydrophobicContact CD2-CZ 3.91Å; L96-F314 HydrophobicContact CG-CE1 4.37Å; L96-F314 HydrophobicContact CG-CE2 3.66Å; L96-F314 HydrophobicContact CG-CZ 3.53Å; N310-F314 WeakPolarHBondContact O-CB 3.15Å; N310-F314 VanDerWaalsContact O-CD2 3.32Å; N310-F314 WeakPolarHBondContact O-CD2 3.1Å; N310-F314 PolarHBondContact O-N 2.91Å; C311-F314 PolarHBondContact O-N 3.27Å; F314-Q317 PolarHBondContact O-N 3.11Å; F314-Q317 VanDerWaalsContact O-N 3.16Å; F314-L318 WeakPolarHBondContact O-CB 3.24Å; F314-L318 PolarHBondContact O-N 3.3Å |
| 315 | V | 89.6 | Confident | 88.2 | Confident | 64 Ų | 64 | 51 Ų | 51 | 39% | 0.388 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 176.3 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | F71 C311 Q317 L318 T319 | F71-V315 HydrophobicContact CZ-CG2 4.4Å; C311-V315 HydrophobicContact CB-CG2 4.16Å; C311-V315 VanDerWaalsContact O-CB 3.22Å; C311-V315 WeakPolarHBondContact O-CB 3.4Å; C311-V315 WeakPolarHBondContact O-CG2 3.31Å; C311-V315 PolarHBondContact O-N 2.89Å; V315-Q317 VanDerWaalsContact C-N 3.27Å; V315-Q317 PolarHBondContact O-N 3.1Å; V315-L318 PolarHBondContact O-N 3.08Å; V315-L318 VanDerWaalsContact O-N 3.17Å; V315-T319 HydrophobicContact CG1-CG2 4.18Å; V315-T319 WeakPolarHBondContact O-CG2 3.1Å; V315-T319 PolarHBondContact O-N 3.35Å; V315-T319 PolarHBondContact O-OG1 2.96Å |
| 316 | P | 85.4 | Confident | 87.5 | Confident | 53 Ų | 53 | 55.5 Ų | 55.5 | 34% | 0.344 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.4 | -30.4 | 175.5 | -23.8 | 35.3 | 0 | 0 | 0 | 114 | T319 Q320 | P316-T319 PolarHBondContact O-OG1 3.01Å; P316-Q320 WeakPolarHBondContact O-CB 3.4Å; P316-Q320 WeakPolarHBondContact O-CG 3.21Å; P316-Q320 PolarHBondContact O-N 2.91Å |
| 317 | Q | 84.3 | Confident | 86.7 | Confident | 14 Ų | 14 | 60.4 Ų | 60.4 | 7% | 0.065 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -74.1 | -37.7 | 175.9 | -65.1 | 178.3 | 69.3 | 0 | 0 | 111.3 | S87 N92 L313 F314 V315 W321 | S87-Q317 PolarHBondContact OG-OE1 3.08Å; N92-Q317 PolarHBondContact ND2-OE1 3.29Å; L313-Q317 PolarHBondContact O-NE2 3.37Å; F314-Q317 PolarHBondContact O-N 3.11Å; F314-Q317 VanDerWaalsContact O-N 3.16Å; V315-Q317 VanDerWaalsContact C-N 3.27Å; V315-Q317 PolarHBondContact O-N 3.1Å; Q317-W321 VanDerWaalsContact O-CB 3.29Å; Q317-W321 WeakPolarHBondContact O-CB 3.31Å; Q317-W321 PolarHBondContact O-N 3.09Å |
| 318 | L | 85.6 | Confident | 85.5 | Confident | 52 Ų | 52 | 65.6 Ų | 65.6 | 27% | 0.272 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -71.6 | -40.7 | 178.5 | -176.4 | 65.3 | 0 | 0 | 0 | 112.3 | F74 F314 V315 W321 R322 | F74-L318 HydrophobicContact CD2-CD1 3.82Å; F74-L318 HydrophobicContact CE2-CD1 3.48Å; F74-L318 VanDerWaalsContact CE2-CD1 3.48Å; F74-L318 HydrophobicContact CZ-CD1 3.92Å; F314-L318 WeakPolarHBondContact O-CB 3.24Å; F314-L318 PolarHBondContact O-N 3.3Å; V315-L318 PolarHBondContact O-N 3.08Å; V315-L318 VanDerWaalsContact O-N 3.17Å; L318-W321 HydrophobicContact CD1-CE3 4.04Å; L318-W321 HydrophobicContact CD1-CZ3 4.41Å; L318-W321 PolarHBondContact O-N 3.34Å; L318-R322 PolarHBondContact O-N 3.43Å |
| 319 | T | 85.4 | Confident | 84.5 | Confident | 70 Ų | 70 | 69.9 Ų | 69.9 | 43% | 0.429 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.1 | -44.7 | 176.9 | 53.4 | 0 | 0 | 0 | 0 | 111.7 | V315 P316 W321 R322 Q323 | V315-T319 HydrophobicContact CG1-CG2 4.18Å; V315-T319 WeakPolarHBondContact O-CG2 3.1Å; V315-T319 PolarHBondContact O-N 3.35Å; V315-T319 PolarHBondContact O-OG1 2.96Å; P316-T319 PolarHBondContact O-OG1 3.01Å; T319-W321 PolarHBondContact O-N 3.05Å; T319-R322 PolarHBondContact O-N 2.99Å; T319-Q323 WeakPolarHBondContact O-CG 3.29Å; T319-Q323 PolarHBondContact O-N 3.09Å |
| 320 | Q | 83.3 | Confident | 83.2 | Confident | 60 Ų | 60 | 72 Ų | 72 | 28% | 0.28 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 173 | -73.6 | 173.4 | 18.5 | 0 | 0 | 111.4 | P316 R322 Q323 F324 | P316-Q320 WeakPolarHBondContact O-CB 3.4Å; P316-Q320 WeakPolarHBondContact O-CG 3.21Å; P316-Q320 PolarHBondContact O-N 2.91Å; Q320-R322 PolarHBondContact O-N 3.38Å; Q320-Q323 PolarHBondContact O-N 3.44Å; Q320-F324 WeakPolarHBondContact O-CD2 3.45Å; Q320-F324 PolarHBondContact O-N 2.87Å |
| 321 | W | 84.1 | Confident | 81.5 | Confident | 37 Ų | 37 | 76.2 Ų | 76.2 | 14% | 0.14 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 177.6 | 172.8 | 68.9 | 0 | 0 | 0 | 112.6 | F74 F78 I83 Q317 L318 T319 Q323 F324 E325 | F74-W321 HydrophobicContact CE2-CB 4.47Å; F74-W321 AromaticContact CE2-CD2 3.79Å; F74-W321 HydrophobicContact CE2-CD2 3.79Å; F74-W321 AromaticContact CE2-CE3 3.61Å; F74-W321 HydrophobicContact CE2-CE3 3.61Å; F74-W321 HydrophobicContact CE2-CG 4.16Å; F74-W321 HydrophobicContact CE2-CZ3 4.22Å; F74-W321 HydrophobicContact CZ-CB 4.01Å; F74-W321 HydrophobicContact CZ-CD2 4.21Å; F74-W321 HydrophobicContact CZ-CE3 4.27Å; F74-W321 HydrophobicContact CZ-CG 4.1Å; F78-W321 HydrophobicContact CD1-CZ2 4.37Å; F78-W321 AromaticContact CE1-CE2 3.99Å; F78-W321 HydrophobicContact CE1-CH2 4.47Å; F78-W321 AromaticContact CE1-CZ2 3.63Å; F78-W321 HydrophobicContact CE1-CZ2 3.63Å; F78-W321 HydrophobicContact CE2-CH2 4.05Å; F78-W321 AromaticContact CE2-CZ2 3.86Å; F78-W321 HydrophobicContact CE2-CZ2 3.86Å; F78-W321 AromaticContact CZ-CE2 3.91Å; F78-W321 AromaticContact CZ-CH2 3.73Å; F78-W321 HydrophobicContact CZ-CH2 3.73Å; F78-W321 AromaticContact CZ-CZ2 3.32Å; F78-W321 HydrophobicContact CZ-CZ2 3.32Å; I83-W321 HydrophobicContact CD1-CB 4.38Å; Q317-W321 VanDerWaalsContact O-CB 3.29Å; Q317-W321 WeakPolarHBondContact O-CB 3.31Å; Q317-W321 PolarHBondContact O-N 3.09Å; L318-W321 HydrophobicContact CD1-CE3 4.04Å; L318-W321 HydrophobicContact CD1-CZ3 4.41Å; L318-W321 PolarHBondContact O-N 3.34Å; T319-W321 PolarHBondContact O-N 3.05Å; W321-Q323 VanDerWaalsContact C-N 3.34Å; W321-Q323 PolarHBondContact O-N 3.38Å; W321-F324 PolarHBondContact O-N 2.04Å; W321-E325 WeakPolarHBondContact CH2-OE2 3.22Å; W321-E325 WeakPolarHBondContact CZ2-OE1 3.38Å; W321-E325 WeakPolarHBondContact CZ2-OE2 3.34Å; W321-E325 PolarHBondContact O-N 3.36Å |
| 322 | R | 84.9 | Confident | 79.7 | Confident | 159 Ų | 159 | 78.1 Ų | 78.1 | 60% | 0.6 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.1 | -41.5 | 174.1 | -172.7 | -173.4 | -65.5 | 174.9 | -1.8 | 111.9 | L318 T319 Q320 E325 E326 | L318-R322 PolarHBondContact O-N 3.43Å; T319-R322 PolarHBondContact O-N 2.99Å; Q320-R322 PolarHBondContact O-N 3.38Å; R322-E325 PolarHBondContact O-N 2.92Å; R322-E326 WeakPolarHBondContact O-CB 3.43Å; R322-E326 PolarHBondContact O-N 3Å |
| 323 | Q | 83.3 | Confident | 78 | Confident | 121 Ų | 121 | 77.5 Ų | 77.5 | 57% | 0.565 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.1 | -47.5 | 176.4 | -72.4 | 170 | -40.9 | 0 | 0 | 111.4 | T319 Q320 W321 E325 E326 D327 | T319-Q323 WeakPolarHBondContact O-CG 3.29Å; T319-Q323 PolarHBondContact O-N 3.09Å; Q320-Q323 PolarHBondContact O-N 3.44Å; W321-Q323 VanDerWaalsContact C-N 3.34Å; W321-Q323 PolarHBondContact O-N 3.38Å; Q323-E325 VanDerWaalsContact C-N 3.27Å; Q323-E325 PolarHBondContact O-N 3.48Å; Q323-E326 PolarHBondContact O-N 2.72Å; Q323-D327 WeakPolarHBondContact O-CB 3.25Å; Q323-D327 VanDerWaalsContact O-CG 3.22Å; Q323-D327 PolarHBondContact O-N 2.98Å |
| 324 | F | 78.5 | Confident | 76.3 | Confident | 106 Ų | 106 | 84 Ų | 84 | 47% | 0.465 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.5 | -25.2 | 175.7 | -78.9 | -69.3 | 0 | 0 | 0 | 114.2 | I83 Q320 W321 Q328 | I83-F324 HydrophobicContact CD1-CB 3.84Å; I83-F324 HydrophobicContact CD1-CD2 3.31Å; I83-F324 HydrophobicContact CD1-CE2 4.06Å; I83-F324 HydrophobicContact CD1-CG 3.78Å; I83-F324 HydrophobicContact CG1-CD2 3.75Å; I83-F324 HydrophobicContact CG1-CE2 3.97Å; I83-F324 HydrophobicContact CG1-CG 4.46Å; Q320-F324 WeakPolarHBondContact O-CD2 3.45Å; Q320-F324 PolarHBondContact O-N 2.87Å; W321-F324 PolarHBondContact O-N 2.04Å; F324-Q328 WeakPolarHBondContact O-CG 3.25Å; F324-Q328 PolarHBondContact O-N 3.41Å |
| 325 | E | 81.9 | Confident | 74.5 | Confident | 79 Ų | 79 | 86.8 Ų | 86.8 | 37% | 0.369 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -78.2 | -41.1 | 173.2 | -178.4 | 170.5 | -119.7 | 0 | 0 | 111.7 | W321 R322 Q323 Q328 N329 | W321-E325 WeakPolarHBondContact CH2-OE2 3.22Å; W321-E325 WeakPolarHBondContact CZ2-OE1 3.38Å; W321-E325 WeakPolarHBondContact CZ2-OE2 3.34Å; W321-E325 PolarHBondContact O-N 3.36Å; R322-E325 PolarHBondContact O-N 2.92Å; Q323-E325 VanDerWaalsContact C-N 3.27Å; Q323-E325 PolarHBondContact O-N 3.48Å; E325-Q328 PolarHBondContact O-N 3.16Å; E325-N329 VanDerWaalsContact CG-ND2 3.34Å; E325-N329 WeakPolarHBondContact CG-ND2 3.27Å; E325-N329 VanDerWaalsContact O-CB 3.28Å; E325-N329 WeakPolarHBondContact O-CB 3.34Å; E325-N329 VanDerWaalsContact O-CG 3.31Å; E325-N329 PolarHBondContact O-N 3.4Å; E325-N329 PolarHBondContact O-ND2 3.44Å |
| 326 | E | 81.4 | Confident | 72.3 | Confident | 109 Ų | 109 | 90.7 Ų | 90.7 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 172.2 | -166.7 | 81.6 | -126.8 | 0 | 0 | 110.7 | R322 Q323 Q328 N329 N330 | R322-E326 WeakPolarHBondContact O-CB 3.43Å; R322-E326 PolarHBondContact O-N 3Å; Q323-E326 PolarHBondContact O-N 2.72Å; E326-Q328 VanDerWaalsContact C-N 3.32Å; E326-Q328 PolarHBondContact O-N 3.1Å; E326-N329 PolarHBondContact O-N 3.4Å; E326-N330 WeakPolarHBondContact O-CB 3.36Å; E326-N330 PolarHBondContact O-N 2.85Å |
| 327 | D | 76.4 | Confident | 70.4 | Confident | 114 Ų | 114 | 96.9 Ų | 96.9 | 61% | 0.61 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.1 | -37.3 | 177.3 | -70.5 | -24.9 | 0 | 0 | 0 | 112.5 | Q323 | Q323-D327 WeakPolarHBondContact O-CB 3.25Å; Q323-D327 VanDerWaalsContact O-CG 3.22Å; Q323-D327 PolarHBondContact O-N 2.98Å |
| 328 | Q | 72.3 | Confident | 68.7 | Low | 158 Ų | 158 | 105.3 Ų | 105.3 | 74% | 0.738 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -80.7 | -32.7 | 177.9 | -78.1 | -168.9 | 31 | 0 | 0 | 113.8 | F324 E325 E326 N330 P331 | F324-Q328 WeakPolarHBondContact O-CG 3.25Å; F324-Q328 PolarHBondContact O-N 3.41Å; E325-Q328 PolarHBondContact O-N 3.16Å; E326-Q328 VanDerWaalsContact C-N 3.32Å; E326-Q328 PolarHBondContact O-N 3.1Å; Q328-N330 VanDerWaalsContact C-N 3.32Å; Q328-P331 WeakPolarHBondContact O-CD 3.46Å |
| 329 | N | 72.3 | Confident | 66.5 | Low | 121 Ų | 121 | 106.8 Ų | 106.8 | 65% | 0.647 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -80.9 | -13.7 | 177.4 | -72.7 | -32.2 | 0 | 0 | 0 | 112.7 | E325 E326 P331 | E325-N329 VanDerWaalsContact CG-ND2 3.34Å; E325-N329 WeakPolarHBondContact CG-ND2 3.27Å; E325-N329 VanDerWaalsContact O-CB 3.28Å; E325-N329 WeakPolarHBondContact O-CB 3.34Å; E325-N329 VanDerWaalsContact O-CG 3.31Å; E325-N329 PolarHBondContact O-N 3.4Å; E325-N329 PolarHBondContact O-ND2 3.44Å; E326-N329 PolarHBondContact O-N 3.4Å; N329-P331 WeakPolarHBondContact O-CD 3.24Å |
| 330 | N | 65.1 | Low | 64 | Low | 48 Ų | 48 | 107.1 Ų | 107.1 | 26% | 0.257 | 53% | 0.534 | S | S | . | . | trans | -119.2 | 48.4 | -178.2 | -141.3 | -31.8 | 0 | 0 | 0 | 114.8 | E326 Q328 S332 Q333 | E326-N330 WeakPolarHBondContact O-CB 3.36Å; E326-N330 PolarHBondContact O-N 2.85Å; Q328-N330 VanDerWaalsContact C-N 3.32Å; N330-S332 PolarHBondContact O-N 2.91Å; N330-S332 VanDerWaalsContact O-N 3.1Å; N330-S332 PolarHBondContact OD1-OG 2.87Å; N330-Q333 PolarHBondContact ND2-NE2 3.1Å; N330-Q333 PolarHBondContact O-N 3.27Å; N330-Q333 WeakPolarHBondContact OD1-CG 3.48Å | ||
| 331 | P | 58.7 | Low | 62.3 | Low | 88 Ų | 88 | 110.9 Ų | 110.9 | 57% | 0.571 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.5 | -18.4 | 179.3 | 30.6 | -36 | 0 | 0 | 0 | 112.4 | Q328 N329 Q333 M334 | Q328-P331 WeakPolarHBondContact O-CD 3.46Å; N329-P331 WeakPolarHBondContact O-CD 3.24Å; P331-Q333 VanDerWaalsContact C-N 3.27Å; P331-Q333 PolarHBondContact O-N 3.43Å; P331-M334 PolarHBondContact O-N 3.06Å |
| 332 | S | 54.7 | Low | 60.1 | Low | 78 Ų | 78 | 114.3 Ų | 114.3 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.5 | -21.8 | 171.6 | 45.4 | 0 | 0 | 0 | 0 | 113.6 | N330 A335 K336 | N330-S332 PolarHBondContact O-N 2.91Å; N330-S332 VanDerWaalsContact O-N 3.1Å; N330-S332 PolarHBondContact OD1-OG 2.87Å; S332-A335 PolarHBondContact O-N 3.4Å; S332-K336 PolarHBondContact O-N 2.85Å |
| 333 | Q | 53.8 | Low | 58.2 | Low | 86 Ų | 86 | 116.3 Ų | 116.3 | 40% | 0.402 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.6 | -37.3 | 169.4 | -82.7 | -170.6 | 57.8 | 0 | 0 | 112.2 | N330 P331 A335 K336 Y337 | N330-Q333 PolarHBondContact ND2-NE2 3.1Å; N330-Q333 PolarHBondContact O-N 3.27Å; N330-Q333 WeakPolarHBondContact OD1-CG 3.48Å; P331-Q333 VanDerWaalsContact C-N 3.27Å; P331-Q333 PolarHBondContact O-N 3.43Å; Q333-A335 VanDerWaalsContact C-N 3.32Å; Q333-A335 PolarHBondContact O-N 3.4Å; Q333-K336 WeakPolarHBondContact O-CA 3.17Å; Q333-K336 WeakPolarHBondContact O-CB 3.25Å; Q333-K336 PolarHBondContact O-N 3.07Å; Q333-Y337 HydrophobicContact CB-CE2 4.35Å; Q333-Y337 WeakPolarHBondContact O-CD2 3.32Å; Q333-Y337 PolarHBondContact O-N 3.2Å; Q333-Y337 VanDerWaalsContact O-N 3.15Å |
| 334 | M | 51.7 | Low | 56.1 | Low | 145 Ų | 145 | 115.7 Ų | 115.7 | 71% | 0.714 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -58.3 | -43.5 | 173 | -92.6 | -165.1 | 171.5 | 0 | 0 | 112 | P331 K336 Y337 F338 | P331-M334 PolarHBondContact O-N 3.06Å; M334-K336 VanDerWaalsContact C-N 3.26Å; M334-K336 PolarHBondContact O-N 2.88Å; M334-Y337 PolarHBondContact O-N 3.12Å; M334-F338 WeakPolarHBondContact O-CD2 3.08Å |
| 335 | A | 53 | Low | 54 | Low | 61 Ų | 61 | 119.4 Ų | 119.4 | 50% | 0.504 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -61.1 | -35 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S332 Q333 F338 S339 | S332-A335 PolarHBondContact O-N 3.4Å; Q333-A335 VanDerWaalsContact C-N 3.32Å; Q333-A335 PolarHBondContact O-N 3.4Å; A335-F338 PolarHBondContact O-N 3.22Å; A335-S339 PolarHBondContact O-OG 2.93Å |
| 336 | K | 43.3 | Very low | 52 | Low | 145 Ų | 145 | 121.6 Ų | 121.6 | 63% | 0.63 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.4 | -32.3 | -178.8 | -151.4 | 171.2 | -171.6 | 176.7 | 0 | 113.4 | S332 Q333 M334 F338 S339 | S332-K336 PolarHBondContact O-N 2.85Å; Q333-K336 WeakPolarHBondContact O-CA 3.17Å; Q333-K336 WeakPolarHBondContact O-CB 3.25Å; Q333-K336 PolarHBondContact O-N 3.07Å; M334-K336 VanDerWaalsContact C-N 3.26Å; M334-K336 PolarHBondContact O-N 2.88Å; K336-F338 PolarHBondContact O-N 3.46Å; K336-S339 PolarHBondContact O-N 2.99Å; K336-S339 PolarHBondContact O-OG 2.67Å |
| 337 | Y | 43.8 | Very low | 50 | Low | 183 Ų | 183 | 120.3 Ų | 120.3 | 72% | 0.718 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -67.2 | -21.1 | 173.8 | -68.6 | -65.7 | 0 | 0 | 0 | 113.5 | Q333 M334 | Q333-Y337 HydrophobicContact CB-CE2 4.35Å; Q333-Y337 WeakPolarHBondContact O-CD2 3.32Å; Q333-Y337 PolarHBondContact O-N 3.2Å; Q333-Y337 VanDerWaalsContact O-N 3.15Å; M334-Y337 PolarHBondContact O-N 3.12Å |
| 338 | F | 49.5 | Very low | 48.7 | Very low | 191 Ų | 191 | 122.4 Ų | 122.4 | 84% | 0.838 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -5.4 | 173.8 | -72.7 | -73.8 | 0 | 0 | 0 | 114 | M334 A335 K336 | M334-F338 WeakPolarHBondContact O-CD2 3.08Å; A335-F338 PolarHBondContact O-N 3.22Å; K336-F338 PolarHBondContact O-N 3.46Å |
| 339 | S | 39.2 | Very low | 47.5 | Very low | 83 Ų | 83 | 121.2 Ų | 121.2 | 58% | 0.58 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -132.4 | 13.5 | -165.3 | 71.5 | 0 | 0 | 0 | 0 | 116.3 | A335 K336 | A335-S339 PolarHBondContact O-OG 2.93Å; K336-S339 PolarHBondContact O-N 2.99Å; K336-S339 PolarHBondContact O-OG 2.67Å |
| 340 | S | 32.7 | Very low | 46.5 | Very low | 77 Ų | 77 | 118.3 Ų | 118.3 | 54% | 0.538 | 65% | 0.654 | S | S | . | * | trans | -158.7 | 124.2 | 170.4 | -79.2 | 0 | 0 | 0 | 0 | 113.8 | S342 | S340-S342 PolarHBondContact O-N 3.22Š| ||
| 341 | P | 48.4 | Very low | 46.2 | Very low | 140 Ų | 140 | 122.2 Ų | 122.2 | 91% | 0.909 | 67% | 0.671 | S | S | * | * | trans | -90.4 | 88.2 | 175.7 | 34.6 | -32.4 | 0 | 0 | 0 | 111.8 | ||||
| 342 | S | 37.7 | Very low | 46.3 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 76% | 0.762 | 68% | 0.677 | S | S | * | * | trans | -148.2 | 155.8 | 171.6 | 64.2 | 0 | 0 | 0 | 0 | 114.5 | S340 | S340-S342 PolarHBondContact O-N 3.22Š| ||
| 343 | K | 43.9 | Very low | 47 | Very low | 200 Ų | 200 | 124.7 Ų | 124.7 | 87% | 0.87 | 67% | 0.671 | S | S | * | * | trans | -73.7 | 135.9 | -171 | -58 | 166.7 | -179.5 | 173.4 | 0 | 111.8 | ||||
| 344 | S | 40.5 | Very low | 48 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 76% | 0.762 | 67% | 0.671 | S | S | * | * | 146.9 | 119 | 112.8 | 60.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 345 | Q | 33.2 | Very low | 48.9 | Very low | 183 Ų | 183 | 124.5 Ų | 124.5 | 86% | 0.855 | 67% | 0.665 | S | S | * | * | -174.5 | 151.5 | 105.3 | -94.2 | -171.9 | 10.8 | 0 | 0 | 109.2 | |||||
| 346 | P | 40.9 | Very low | 50.2 | Low | 125 Ų | 125 | 128.4 Ų | 128.4 | 81% | 0.812 | 67% | 0.67 | S | S | * | * | trans | -78.7 | 125.3 | -177.3 | 30.9 | -32.9 | 0 | 0 | 0 | 111.5 | ||||
| 347 | S | 39.2 | Very low | 52.1 | Low | 82 Ų | 82 | 125.4 Ų | 125.4 | 57% | 0.573 | 66% | 0.661 | S | S | * | * | trans | -73.7 | 163.1 | 164.1 | 63 | 0 | 0 | 0 | 0 | 110.4 | Y349 | S347-Y349 PolarHBondContact O-N 2.92Š| ||
| 348 | V | 48.3 | Very low | 54.1 | Low | 159 Ų | 159 | 121.9 Ų | 121.9 | 96% | 0.964 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -71.2 | 3.2 | -170.9 | 178.2 | 0 | 0 | 0 | 0 | 114 | ||
| 349 | Y | 48.2 | Very low | 55.8 | Low | 133 Ų | 133 | 114.4 Ų | 114.4 | 52% | 0.522 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -76.3 | 141.2 | 167.9 | -105.2 | -98 | 0 | 0 | 0 | 111 | S347 E353 I354 L357 | S347-Y349 PolarHBondContact O-N 2.92Å; Y349-E353 HydrophobicContact CD1-CB 4.2Å; Y349-E353 HydrophobicContact CD1-CG 3.79Å; Y349-E353 HydrophobicContact CE1-CG 3.75Å; Y349-I354 HydrophobicContact CD1-CG1 4.39Å; Y349-I354 HydrophobicContact CG-CG1 4.42Å; Y349-L357 HydrophobicContact CE1-CD1 4.03Å |
| 350 | S | 49.9 | Very low | 58.1 | Low | 59 Ų | 59 | 115.8 Ų | 115.8 | 41% | 0.413 | 63% | 0.628 | S | S | . | * | trans | -66.1 | 137.7 | 170.9 | 67.7 | 0 | 0 | 0 | 0 | 109.8 | D352 E353 I354 | S350-D352 PolarHBondContact O-N 3.15Å; S350-E353 WeakPolarHBondContact O-CB 3.4Å; S350-E353 PolarHBondContact O-N 2.77Å; S350-E353 WeakPolarHBondContact OG-CB 3.37Å; S350-E353 PolarHBondContact OG-OE2 2.96Å; S350-I354 PolarHBondContact O-N 3.12Å | ||
| 351 | Q | 58.9 | Low | 60.5 | Low | 131 Ų | 131 | 115.3 Ų | 115.3 | 61% | 0.612 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -61.9 | -34.1 | -173.1 | -173.8 | 168.5 | -5.6 | 0 | 0 | 111.6 | E353 I354 Y355 | Q351-E353 VanDerWaalsContact C-N 3.34Å; Q351-E353 PolarHBondContact O-N 3.42Å; Q351-I354 PolarHBondContact O-N 3.49Å; Q351-Y355 HydrophobicContact CG-CD2 4.09Å; Q351-Y355 HydrophobicContact CG-CE2 3.8Å; Q351-Y355 WeakPolarHBondContact O-CD2 3.39Å; Q351-Y355 PolarHBondContact O-N 2.9Å; Q351-Y355 VanDerWaalsContact O-N 3.12Å |
| 352 | D | 62 | Low | 62.4 | Low | 130 Ų | 130 | 112.1 Ų | 112.1 | 70% | 0.695 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.2 | -35.4 | 175.5 | -51.6 | -57.5 | 0 | 0 | 0 | 112.8 | S350 Y355 F356 | S350-D352 PolarHBondContact O-N 3.15Å; D352-Y355 PolarHBondContact O-N 3.36Å; D352-F356 WeakPolarHBondContact O-CB 3.44Å; D352-F356 PolarHBondContact O-N 2.69Å |
| 353 | E | 69.4 | Low | 64.9 | Low | 88 Ų | 88 | 110.6 Ų | 110.6 | 41% | 0.411 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -76 | -30.9 | -179.9 | -173 | 176.4 | -164.3 | 0 | 0 | 111.8 | Y349 S350 Q351 F356 L357 | Y349-E353 HydrophobicContact CD1-CB 4.2Å; Y349-E353 HydrophobicContact CD1-CG 3.79Å; Y349-E353 HydrophobicContact CE1-CG 3.75Å; S350-E353 WeakPolarHBondContact O-CB 3.4Å; S350-E353 PolarHBondContact O-N 2.77Å; S350-E353 WeakPolarHBondContact OG-CB 3.37Å; S350-E353 PolarHBondContact OG-OE2 2.96Å; Q351-E353 VanDerWaalsContact C-N 3.34Å; Q351-E353 PolarHBondContact O-N 3.42Å; E353-F356 PolarHBondContact O-N 3.13Å; E353-L357 WeakPolarHBondContact O-CB 3.19Å; E353-L357 VanDerWaalsContact O-CG 3.29Å; E353-L357 WeakPolarHBondContact O-CG 3.28Å; E353-L357 PolarHBondContact O-N 3.21Å |
| 354 | I | 73.6 | Confident | 67.1 | Low | 81 Ų | 81 | 107.1 Ų | 107.1 | 42% | 0.415 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.9 | -45.6 | 167.1 | -59.2 | 176.5 | 0 | 0 | 0 | 110.1 | Y349 S350 Q351 F356 L357 L358 | Y349-I354 HydrophobicContact CD1-CG1 4.39Å; Y349-I354 HydrophobicContact CG-CG1 4.42Å; S350-I354 PolarHBondContact O-N 3.12Å; Q351-I354 PolarHBondContact O-N 3.49Å; I354-F356 VanDerWaalsContact C-N 3.35Å; I354-L357 PolarHBondContact O-N 3.34Å; I354-L358 VanDerWaalsContact O-CB 3.28Å; I354-L358 WeakPolarHBondContact O-CB 3.3Å; I354-L358 PolarHBondContact O-N 2.93Å |
| 355 | Y | 71.1 | Confident | 69.4 | Low | 146 Ų | 146 | 107.8 Ų | 107.8 | 57% | 0.573 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.7 | -37.3 | 175.8 | -79 | -62 | 0 | 0 | 0 | 112.6 | Q351 D352 L358 G359 | Q351-Y355 HydrophobicContact CG-CD2 4.09Å; Q351-Y355 HydrophobicContact CG-CE2 3.8Å; Q351-Y355 WeakPolarHBondContact O-CD2 3.39Å; Q351-Y355 PolarHBondContact O-N 2.9Å; Q351-Y355 VanDerWaalsContact O-N 3.12Å; D352-Y355 PolarHBondContact O-N 3.36Å; Y355-L358 PolarHBondContact O-N 2.7Å; Y355-G359 PolarHBondContact O-N 3.25Å |
| 356 | F | 80.7 | Confident | 72.2 | Confident | 142 Ų | 142 | 106.3 Ų | 106.3 | 62% | 0.623 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.7 | -51.7 | 174.4 | -177.8 | -89.2 | 0 | 0 | 0 | 111.4 | D352 E353 I354 L358 G359 E360 | D352-F356 WeakPolarHBondContact O-CB 3.44Å; D352-F356 PolarHBondContact O-N 2.69Å; E353-F356 PolarHBondContact O-N 3.13Å; I354-F356 VanDerWaalsContact C-N 3.35Å; F356-L358 VanDerWaalsContact C-N 3.32Å; F356-L358 PolarHBondContact O-N 2.92Å; F356-G359 WeakPolarHBondContact O-CA 3.31Å; F356-G359 PolarHBondContact O-N 2.83Å; F356-G359 VanDerWaalsContact O-N 3.16Å; F356-E360 PolarHBondContact O-N 2.94Å |
| 357 | L | 83.9 | Confident | 74.7 | Confident | 83 Ų | 83 | 104.6 Ų | 104.6 | 44% | 0.435 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.7 | -34.6 | 178.7 | -71.5 | 169.8 | 0 | 0 | 0 | 112.5 | Y349 E353 I354 E360 N361 | Y349-L357 HydrophobicContact CE1-CD1 4.03Å; E353-L357 WeakPolarHBondContact O-CB 3.19Å; E353-L357 VanDerWaalsContact O-CG 3.29Å; E353-L357 WeakPolarHBondContact O-CG 3.28Å; E353-L357 PolarHBondContact O-N 3.21Å; I354-L357 PolarHBondContact O-N 3.34Å; L357-E360 PolarHBondContact O-N 3.24Å; L357-N361 VanDerWaalsContact O-CB 3.32Å; L357-N361 WeakPolarHBondContact O-CB 3.41Å; L357-N361 PolarHBondContact O-N 3.43Å |
| 358 | L | 85.3 | Confident | 77.3 | Confident | 109 Ų | 109 | 105.5 Ų | 105.5 | 57% | 0.571 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.3 | -40.1 | 173.5 | -172.1 | 65.3 | 0 | 0 | 0 | 111.4 | I354 Y355 F356 N361 S362 | I354-L358 VanDerWaalsContact O-CB 3.28Å; I354-L358 WeakPolarHBondContact O-CB 3.3Å; I354-L358 PolarHBondContact O-N 2.93Å; Y355-L358 PolarHBondContact O-N 2.7Å; F356-L358 VanDerWaalsContact C-N 3.32Å; F356-L358 PolarHBondContact O-N 2.92Å; L358-N361 PolarHBondContact O-N 2.95Å; L358-S362 PolarHBondContact O-N 2.88Å |
| 359 | G | 85.2 | Confident | 79.4 | Confident | 34 Ų | 34 | 103 Ų | 103 | 35% | 0.351 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.3 | -49.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y355 F356 N361 S362 S363 | Y355-G359 PolarHBondContact O-N 3.25Å; F356-G359 WeakPolarHBondContact O-CA 3.31Å; F356-G359 PolarHBondContact O-N 2.83Å; F356-G359 VanDerWaalsContact O-N 3.16Å; G359-N361 VanDerWaalsContact C-N 3.34Å; G359-N361 PolarHBondContact O-N 3.34Å; G359-S362 PolarHBondContact O-N 2.88Å; G359-S362 VanDerWaalsContact O-N 3.16Å; G359-S362 PolarHBondContact O-OG 2.91Å; G359-S363 PolarHBondContact O-N 3.28Å |
| 360 | E | 87.5 | Confident | 81.5 | Confident | 112 Ų | 112 | 102.1 Ų | 102.1 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 176.8 | -168.5 | 171.5 | -168.5 | 0 | 0 | 111.7 | F356 L357 S362 S363 M364 | F356-E360 PolarHBondContact O-N 2.94Å; L357-E360 PolarHBondContact O-N 3.24Å; E360-S362 PolarHBondContact O-N 3.38Å; E360-S363 PolarHBondContact O-N 2.86Å; E360-M364 WeakPolarHBondContact O-CB 3.13Å; E360-M364 PolarHBondContact O-N 3.18Å |
| 361 | N | 83.6 | Confident | 83.7 | Confident | 67 Ų | 67 | 104.9 Ų | 104.9 | 36% | 0.358 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 173.8 | -165.5 | -92.6 | 0 | 0 | 0 | 112.4 | L357 L358 G359 M364 K365 | L357-N361 VanDerWaalsContact O-CB 3.32Å; L357-N361 WeakPolarHBondContact O-CB 3.41Å; L357-N361 PolarHBondContact O-N 3.43Å; L358-N361 PolarHBondContact O-N 2.95Å; G359-N361 VanDerWaalsContact C-N 3.34Å; G359-N361 PolarHBondContact O-N 3.34Å; N361-M364 PolarHBondContact O-N 2.92Å; N361-K365 WeakPolarHBondContact O-CB 3.29Å; N361-K365 WeakPolarHBondContact O-CG 3.32Å; N361-K365 PolarHBondContact O-N 3.03Å; N361-K365 VanDerWaalsContact OD1-CE 3.22Å; N361-K365 WeakPolarHBondContact OD1-CE 3.48Å; N361-K365 PolarHBondContact OD1-NZ 3.23Å |
| 362 | S | 87.3 | Confident | 85.2 | Confident | 73 Ų | 73 | 102 Ų | 102 | 51% | 0.51 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 176.5 | 78.9 | 0 | 0 | 0 | 0 | 112.3 | L358 G359 E360 K365 K366 | L358-S362 PolarHBondContact O-N 2.88Å; G359-S362 PolarHBondContact O-N 2.88Å; G359-S362 VanDerWaalsContact O-N 3.16Å; G359-S362 PolarHBondContact O-OG 2.91Å; E360-S362 PolarHBondContact O-N 3.38Å; S362-K365 PolarHBondContact O-N 2.9Å; S362-K366 PolarHBondContact O-N 3.42Å |
| 363 | S | 91.1 | Very high | 86.7 | Confident | 77 Ų | 77 | 98.6 Ų | 98.6 | 54% | 0.538 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -46.6 | 175.3 | -173 | 0 | 0 | 0 | 0 | 111.3 | G359 E360 K365 K366 L367 | G359-S363 PolarHBondContact O-N 3.28Å; E360-S363 PolarHBondContact O-N 2.86Å; S363-K365 VanDerWaalsContact C-N 3.35Å; S363-K365 PolarHBondContact O-N 2.89Å; S363-K366 PolarHBondContact O-N 3.18Å; S363-L367 PolarHBondContact O-N 3.19Å |
| 364 | M | 89.1 | Confident | 87.9 | Confident | 126 Ų | 126 | 96.5 Ų | 96.5 | 62% | 0.621 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.9 | -35.6 | 178.5 | -165.8 | 170.2 | 72.6 | 0 | 0 | 112.3 | E360 N361 L367 L368 | E360-M364 WeakPolarHBondContact O-CB 3.13Å; E360-M364 PolarHBondContact O-N 3.18Å; N361-M364 PolarHBondContact O-N 2.92Å; M364-L367 PolarHBondContact O-N 3.33Å; M364-L368 WeakPolarHBondContact O-CB 3.26Å; M364-L368 PolarHBondContact O-N 3.45Å |
| 365 | K | 88.2 | Confident | 88.9 | Confident | 123 Ų | 123 | 97.4 Ų | 97.4 | 54% | 0.535 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 170.6 | -81 | 169.1 | 172.5 | 158.1 | 0 | 112.6 | N361 S362 S363 L368 N369 | N361-K365 WeakPolarHBondContact O-CB 3.29Å; N361-K365 WeakPolarHBondContact O-CG 3.32Å; N361-K365 PolarHBondContact O-N 3.03Å; N361-K365 VanDerWaalsContact OD1-CE 3.22Å; N361-K365 WeakPolarHBondContact OD1-CE 3.48Å; N361-K365 PolarHBondContact OD1-NZ 3.23Å; S362-K365 PolarHBondContact O-N 2.9Å; S363-K365 VanDerWaalsContact C-N 3.35Å; S363-K365 PolarHBondContact O-N 2.89Å; K365-L368 PolarHBondContact O-N 3.42Å; K365-N369 PolarHBondContact O-N 3.15Å; K365-N369 PolarHBondContact O-OD1 2.9Å |
| 366 | K | 92.8 | Very high | 89.9 | Confident | 152 Ų | 152 | 95.5 Ų | 95.5 | 66% | 0.661 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.4 | -46 | 175 | -173.5 | -178.3 | 176.1 | -174.8 | 0 | 111.1 | S362 S363 L368 N369 E370 | S362-K366 PolarHBondContact O-N 3.42Å; S363-K366 PolarHBondContact O-N 3.18Å; K366-L368 VanDerWaalsContact C-N 3.33Å; K366-L368 PolarHBondContact O-N 3.41Å; K366-N369 PolarHBondContact O-N 2.7Å; K366-E370 WeakPolarHBondContact O-CB 3.31Å; K366-E370 PolarHBondContact O-N 3.13Å |
| 367 | L | 94.1 | Very high | 90.5 | Very high | 89 Ų | 89 | 91.2 Ų | 91.2 | 47% | 0.466 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -38 | 176.6 | -176.7 | 64 | 0 | 0 | 0 | 112.1 | S363 M364 E370 K371 | S363-L367 PolarHBondContact O-N 3.19Å; M364-L367 PolarHBondContact O-N 3.33Å; L367-E370 PolarHBondContact O-N 3.38Å; L367-K371 HydrophobicContact CD1-CG 4.48Å; L367-K371 WeakPolarHBondContact O-CB 3.42Å; L367-K371 WeakPolarHBondContact O-CG 3.29Å; L367-K371 PolarHBondContact O-N 3Å |
| 368 | L | 93.1 | Very high | 90.9 | Very high | 102 Ų | 102 | 92.3 Ų | 92.3 | 53% | 0.534 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 174.8 | -167.4 | 78 | 0 | 0 | 0 | 111 | M364 K365 K366 E370 K371 N372 | M364-L368 WeakPolarHBondContact O-CB 3.26Å; M364-L368 PolarHBondContact O-N 3.45Å; K365-L368 PolarHBondContact O-N 3.42Å; K366-L368 VanDerWaalsContact C-N 3.33Å; K366-L368 PolarHBondContact O-N 3.41Å; L368-E370 PolarHBondContact O-N 3.23Å; L368-K371 PolarHBondContact O-N 3.2Å; L368-N372 VanDerWaalsContact O-CG 3.23Å; L368-N372 PolarHBondContact O-N 3.46Å; L368-N372 PolarHBondContact O-OD1 3.42Å |
| 369 | N | 91.8 | Very high | 91.2 | Very high | 107 Ų | 107 | 92 Ų | 92 | 57% | 0.572 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.1 | -39.7 | 178.5 | -69 | 3.9 | 0 | 0 | 0 | 112.2 | K365 K366 K371 N372 A373 | K365-N369 PolarHBondContact O-N 3.15Å; K365-N369 PolarHBondContact O-OD1 2.9Å; K366-N369 PolarHBondContact O-N 2.7Å; N369-K371 VanDerWaalsContact C-N 3.33Å; N369-N372 PolarHBondContact O-N 2.94Å; N369-A373 PolarHBondContact O-N 2.92Å |
| 370 | E | 93.6 | Very high | 91.6 | Very high | 114 Ų | 114 | 96.9 Ų | 96.9 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 174.6 | -169.5 | -175.1 | 131.8 | 0 | 0 | 111.8 | K366 L367 L368 A374 | K366-E370 WeakPolarHBondContact O-CB 3.31Å; K366-E370 PolarHBondContact O-N 3.13Å; L367-E370 PolarHBondContact O-N 3.38Å; L368-E370 PolarHBondContact O-N 3.23Å; E370-A374 WeakPolarHBondContact O-CB 3.4Å; E370-A374 PolarHBondContact O-N 2.95Å; E370-A374 VanDerWaalsContact O-N 3.17Å |
| 371 | K | 94.6 | Very high | 91.7 | Very high | 117 Ų | 117 | 95.7 Ų | 95.7 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73.3 | -34.5 | 174.4 | -68.5 | -57.6 | 177 | -160 | 0 | 113.4 | L367 L368 N369 A374 I375 | L367-K371 HydrophobicContact CD1-CG 4.48Å; L367-K371 WeakPolarHBondContact O-CB 3.42Å; L367-K371 WeakPolarHBondContact O-CG 3.29Å; L367-K371 PolarHBondContact O-N 3Å; L368-K371 PolarHBondContact O-N 3.2Å; N369-K371 VanDerWaalsContact C-N 3.33Å; K371-A374 PolarHBondContact O-N 3.46Å; K371-I375 WeakPolarHBondContact O-CD1 3.33Å; K371-I375 VanDerWaalsContact O-CG1 3.28Å; K371-I375 WeakPolarHBondContact O-CG1 3.34Å; K371-I375 PolarHBondContact O-N 2.95Å |
| 372 | N | 91.9 | Very high | 92.2 | Very high | 70 Ų | 70 | 96.7 Ų | 96.7 | 37% | 0.374 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64 | -49.4 | 173.5 | -67.9 | -7.6 | 0 | 0 | 0 | 110.5 | L368 N369 A374 I375 D376 | L368-N372 VanDerWaalsContact O-CG 3.23Å; L368-N372 PolarHBondContact O-N 3.46Å; L368-N372 PolarHBondContact O-OD1 3.42Å; N369-N372 PolarHBondContact O-N 2.94Å; N372-A374 VanDerWaalsContact C-N 3.25Å; N372-A374 PolarHBondContact O-N 3.38Å; N372-I375 CarbonylContact O-C 3.59Å; N372-I375 WeakPolarHBondContact O-CA 3.3Å; N372-I375 WeakPolarHBondContact O-CB 3.23Å; N372-I375 PolarHBondContact O-N 3.29Å; N372-D376 VanDerWaalsContact O-CG 3.3Å; N372-D376 PolarHBondContact O-N 3.38Å |
| 373 | A | 93.8 | Very high | 92.3 | Very high | 58 Ų | 58 | 96.6 Ų | 96.6 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.1 | -35.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N369 D376 S377 | N369-A373 PolarHBondContact O-N 2.92Å; A373-D376 PolarHBondContact O-N 2.72Å; A373-S377 WeakPolarHBondContact O-CB 3.26Å; A373-S377 PolarHBondContact O-N 2.76Å |
| 374 | A | 94.3 | Very high | 92.3 | Very high | 45 Ų | 45 | 97.4 Ų | 97.4 | 37% | 0.372 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.6 | -32.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | E370 K371 N372 L378 | E370-A374 WeakPolarHBondContact O-CB 3.4Å; E370-A374 PolarHBondContact O-N 2.95Å; E370-A374 VanDerWaalsContact O-N 3.17Å; K371-A374 PolarHBondContact O-N 3.46Å; N372-A374 VanDerWaalsContact C-N 3.25Å; N372-A374 PolarHBondContact O-N 3.38Å; A374-L378 WeakPolarHBondContact O-CB 3.41Å; A374-L378 WeakPolarHBondContact O-CD1 3.33Å; A374-L378 VanDerWaalsContact O-CG 3.29Å; A374-L378 WeakPolarHBondContact O-CG 3.34Å; A374-L378 PolarHBondContact O-N 3.44Å; A374-L378 VanDerWaalsContact O-N 3.12Å |
| 375 | I | 93.4 | Very high | 92.4 | Very high | 100 Ų | 100 | 92.8 Ų | 92.8 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.8 | -44.8 | 172.3 | -70.6 | 161.7 | 0 | 0 | 0 | 110.1 | K371 N372 S377 L378 Q379 | K371-I375 WeakPolarHBondContact O-CD1 3.33Å; K371-I375 VanDerWaalsContact O-CG1 3.28Å; K371-I375 WeakPolarHBondContact O-CG1 3.34Å; K371-I375 PolarHBondContact O-N 2.95Å; N372-I375 CarbonylContact O-C 3.59Å; N372-I375 WeakPolarHBondContact O-CA 3.3Å; N372-I375 WeakPolarHBondContact O-CB 3.23Å; N372-I375 PolarHBondContact O-N 3.29Å; I375-S377 PolarHBondContact O-N 2.73Å; I375-L378 PolarHBondContact O-N 2.97Å; I375-Q379 WeakPolarHBondContact O-CB 3.43Å; I375-Q379 PolarHBondContact O-N 2.77Å |
| 376 | D | 93.3 | Very high | 92.5 | Very high | 105 Ų | 105 | 93 Ų | 93 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.7 | -44.1 | 179.1 | -61.4 | -37.3 | 0 | 0 | 0 | 111.2 | N372 A373 Q379 E380 | N372-D376 VanDerWaalsContact O-CG 3.3Å; N372-D376 PolarHBondContact O-N 3.38Å; A373-D376 PolarHBondContact O-N 2.72Å; D376-Q379 WeakPolarHBondContact O-CB 3.14Å; D376-Q379 PolarHBondContact O-N 2.95Å; D376-E380 PolarHBondContact O-N 2.71Å |
| 377 | S | 93.3 | Very high | 92.3 | Very high | 53 Ų | 53 | 89.8 Ų | 89.8 | 37% | 0.371 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 175.2 | -175.6 | 0 | 0 | 0 | 0 | 113 | A373 I375 Q379 E380 Q381 | A373-S377 WeakPolarHBondContact O-CB 3.26Å; A373-S377 PolarHBondContact O-N 2.76Å; I375-S377 PolarHBondContact O-N 2.73Å; S377-Q379 VanDerWaalsContact C-N 3.33Å; S377-E380 PolarHBondContact O-N 3.4Å; S377-Q381 WeakPolarHBondContact O-CG 3.38Å; S377-Q381 PolarHBondContact O-N 2.87Å |
| 378 | L | 91.5 | Very high | 92 | Very high | 105 Ų | 105 | 89.2 Ų | 89.2 | 55% | 0.55 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.5 | -36.8 | 173.3 | -76.7 | 168.2 | 0 | 0 | 0 | 112 | A374 I375 Q381 V382 | A374-L378 WeakPolarHBondContact O-CB 3.41Å; A374-L378 WeakPolarHBondContact O-CD1 3.33Å; A374-L378 VanDerWaalsContact O-CG 3.29Å; A374-L378 WeakPolarHBondContact O-CG 3.34Å; A374-L378 PolarHBondContact O-N 3.44Å; A374-L378 VanDerWaalsContact O-N 3.12Å; I375-L378 PolarHBondContact O-N 2.97Å; L378-Q381 PolarHBondContact O-N 2.88Å; L378-V382 WeakPolarHBondContact O-CB 3.27Å; L378-V382 VanDerWaalsContact O-CG2 3.3Å; L378-V382 WeakPolarHBondContact O-CG2 3.36Å; L378-V382 PolarHBondContact O-N 3.45Å |
| 379 | Q | 91.6 | Very high | 91.5 | Very high | 104 Ų | 104 | 88.6 Ų | 88.6 | 49% | 0.486 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 176.1 | -168.8 | 64.7 | 52.1 | 0 | 0 | 111.2 | I375 D376 S377 V382 N383 | I375-Q379 WeakPolarHBondContact O-CB 3.43Å; I375-Q379 PolarHBondContact O-N 2.77Å; D376-Q379 WeakPolarHBondContact O-CB 3.14Å; D376-Q379 PolarHBondContact O-N 2.95Å; S377-Q379 VanDerWaalsContact C-N 3.33Å; Q379-V382 PolarHBondContact O-N 3.3Å; Q379-N383 WeakPolarHBondContact O-CB 3.48Å; Q379-N383 PolarHBondContact O-N 3.13Å; Q379-N383 PolarHBondContact O-ND2 2.82Å |
| 380 | E | 93 | Very high | 91 | Very high | 135 Ų | 135 | 88.4 Ų | 88.4 | 63% | 0.631 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64 | -45.9 | 172.3 | -174.7 | 175 | -161.1 | 0 | 0 | 112.1 | D376 S377 V382 N383 N384 | D376-E380 PolarHBondContact O-N 2.71Å; S377-E380 PolarHBondContact O-N 3.4Å; E380-V382 VanDerWaalsContact C-N 3.35Å; E380-V382 PolarHBondContact O-N 3.25Å; E380-N383 PolarHBondContact O-N 3.46Å; E380-N384 WeakPolarHBondContact O-CB 3.19Å; E380-N384 PolarHBondContact O-N 3.48Å |
| 381 | Q | 91 | Very high | 90.3 | Very high | 88 Ų | 88 | 92.3 Ų | 92.3 | 41% | 0.411 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 175.3 | -71.8 | 176.3 | 14.9 | 0 | 0 | 112.2 | S377 L378 N384 A385 | S377-Q381 WeakPolarHBondContact O-CG 3.38Å; S377-Q381 PolarHBondContact O-N 2.87Å; L378-Q381 PolarHBondContact O-N 2.88Å; Q381-N384 PolarHBondContact O-N 3.14Å; Q381-A385 WeakPolarHBondContact O-CB 3.36Å; Q381-A385 PolarHBondContact O-N 3.17Å |
| 382 | V | 93.1 | Very high | 89.5 | Confident | 87 Ų | 87 | 89.6 Ų | 89.6 | 53% | 0.527 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 175.5 | 167.6 | 0 | 0 | 0 | 0 | 111.5 | L378 Q379 E380 K386 | L378-V382 WeakPolarHBondContact O-CB 3.27Å; L378-V382 VanDerWaalsContact O-CG2 3.3Å; L378-V382 WeakPolarHBondContact O-CG2 3.36Å; L378-V382 PolarHBondContact O-N 3.45Å; Q379-V382 PolarHBondContact O-N 3.3Å; E380-V382 VanDerWaalsContact C-N 3.35Å; E380-V382 PolarHBondContact O-N 3.25Å; V382-K386 VanDerWaalsContact O-CB 3.25Å; V382-K386 WeakPolarHBondContact O-CB 3.21Å; V382-K386 PolarHBondContact O-N 2.9Å |
| 383 | N | 89.4 | Confident | 88.3 | Confident | 71 Ų | 71 | 92.2 Ų | 92.2 | 38% | 0.38 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 174.7 | -70.5 | -22.5 | 0 | 0 | 0 | 111.6 | Q379 E380 A385 K386 D387 | Q379-N383 WeakPolarHBondContact O-CB 3.48Å; Q379-N383 PolarHBondContact O-N 3.13Å; Q379-N383 PolarHBondContact O-ND2 2.82Å; E380-N383 PolarHBondContact O-N 3.46Å; N383-A385 PolarHBondContact O-N 3.43Å; N383-K386 WeakPolarHBondContact O-CB 3.49Å; N383-K386 PolarHBondContact O-N 2.94Å; N383-D387 PolarHBondContact O-N 3.04Å |
| 384 | N | 92.4 | Very high | 87.3 | Confident | 95 Ų | 95 | 94 Ų | 94 | 51% | 0.508 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 177.2 | -167.8 | -56.7 | 0 | 0 | 0 | 111.8 | E380 Q381 K386 D387 K388 | E380-N384 WeakPolarHBondContact O-CB 3.19Å; E380-N384 PolarHBondContact O-N 3.48Å; Q381-N384 PolarHBondContact O-N 3.14Å; N384-K386 PolarHBondContact O-N 3.16Å; N384-D387 PolarHBondContact O-N 2.87Å; N384-K388 PolarHBondContact O-N 3.45Å |
| 385 | A | 89.8 | Confident | 85.9 | Confident | 28 Ų | 28 | 96 Ų | 96 | 23% | 0.231 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q381 N383 L389 L575 | Q381-A385 WeakPolarHBondContact O-CB 3.36Å; Q381-A385 PolarHBondContact O-N 3.17Å; N383-A385 PolarHBondContact O-N 3.43Å; A385-L389 WeakPolarHBondContact O-CB 3.29Å; A385-L389 PolarHBondContact O-N 3.39Å; A385-L575 HydrophobicContact CB-CD1 4.19Å |
| 386 | K | 90.4 | Very high | 84.1 | Confident | 128 Ų | 128 | 94.6 Ų | 94.6 | 56% | 0.557 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.2 | -44.4 | 172.7 | 175.5 | -166.7 | 172 | -161.2 | 0 | 111.4 | V382 N383 N384 L389 L390 | V382-K386 VanDerWaalsContact O-CB 3.25Å; V382-K386 WeakPolarHBondContact O-CB 3.21Å; V382-K386 PolarHBondContact O-N 2.9Å; N383-K386 WeakPolarHBondContact O-CB 3.49Å; N383-K386 PolarHBondContact O-N 2.94Å; N384-K386 PolarHBondContact O-N 3.16Å; K386-L389 PolarHBondContact O-N 3.29Å; K386-L390 WeakPolarHBondContact O-CB 3.43Å; K386-L390 PolarHBondContact O-N 3.36Å |
| 387 | D | 88.4 | Confident | 81.7 | Confident | 85 Ų | 85 | 97.3 Ų | 97.3 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.3 | -35.4 | -178.8 | -68.7 | -13.8 | 0 | 0 | 0 | 112.6 | N383 N384 L389 L390 R391 | N383-D387 PolarHBondContact O-N 3.04Å; N384-D387 PolarHBondContact O-N 2.87Å; D387-L389 VanDerWaalsContact C-N 3.32Å; D387-L390 PolarHBondContact O-N 3.04Å; D387-R391 WeakPolarHBondContact O-CB 3.49Å; D387-R391 PolarHBondContact O-N 3.03Å |
| 388 | K | 87.7 | Confident | 79.4 | Confident | 77 Ų | 77 | 100.5 Ų | 100.5 | 34% | 0.335 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -56.2 | -46.9 | 166.1 | -80.2 | -173.8 | 175.5 | -177.2 | 0 | 110.6 | N384 R391 L392 E574 | N384-K388 PolarHBondContact O-N 3.45Å; K388-R391 PolarHBondContact O-N 3.23Å; K388-L392 WeakPolarHBondContact O-CG 3.49Å; K388-L392 PolarHBondContact O-N 2.77Å; K388-E574 IonicContact NZ-OE2 2.64Å; K388-E574 PolarHBondContact NZ-OE2 3.42Å |
| 389 | L | 83 | Confident | 77.2 | Confident | 89 Ų | 89 | 103.6 Ų | 103.6 | 47% | 0.466 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.1 | -38.1 | -179.3 | -165.9 | 149.6 | 0 | 0 | 0 | 112.3 | A385 K386 D387 L392 M393 | A385-L389 WeakPolarHBondContact O-CB 3.29Å; A385-L389 PolarHBondContact O-N 3.39Å; K386-L389 PolarHBondContact O-N 3.29Å; D387-L389 VanDerWaalsContact C-N 3.32Å; L389-L392 PolarHBondContact O-N 3.03Å; L389-M393 HydrophobicContact CD2-CE 4.26Å; L389-M393 PolarHBondContact O-N 3.31Å |
| 390 | L | 81.9 | Confident | 74.6 | Confident | 102 Ų | 102 | 102 Ų | 102 | 53% | 0.534 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.3 | -40.5 | 174.5 | -152 | 93.4 | 0 | 0 | 0 | 111.8 | K386 D387 M393 T394 | K386-L390 WeakPolarHBondContact O-CB 3.43Å; K386-L390 PolarHBondContact O-N 3.36Å; D387-L390 PolarHBondContact O-N 3.04Å; L390-M393 PolarHBondContact O-N 3.17Å; L390-T394 PolarHBondContact O-N 2.81Å; L390-T394 PolarHBondContact O-OG1 3.23Å |
| 391 | R | 79.8 | Confident | 72 | Confident | 196 Ų | 196 | 101.5 Ų | 101.5 | 74% | 0.74 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.5 | -39.6 | 173.4 | -83.9 | 179.9 | 162.6 | 151.9 | -3.2 | 112.7 | D387 K388 M393 T394 A395 | D387-R391 WeakPolarHBondContact O-CB 3.49Å; D387-R391 PolarHBondContact O-N 3.03Å; K388-R391 PolarHBondContact O-N 3.23Å; R391-M393 VanDerWaalsContact C-N 3.32Å; R391-T394 WeakPolarHBondContact CA-OG1 3.44Å; R391-T394 PolarHBondContact O-N 3.26Å; R391-T394 PolarHBondContact O-OG1 3.14Å; R391-A395 WeakPolarHBondContact O-CB 3.3Å; R391-A395 PolarHBondContact O-N 2.92Å |
| 392 | L | 76.4 | Confident | 69.5 | Low | 60 Ų | 60 | 104.2 Ų | 104.2 | 31% | 0.314 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.9 | -32.1 | 175.7 | -71.8 | 167 | 0 | 0 | 0 | 112.3 | K388 L389 S396 I571 | K388-L392 WeakPolarHBondContact O-CG 3.49Å; K388-L392 PolarHBondContact O-N 2.77Å; L389-L392 PolarHBondContact O-N 3.03Å; L392-S396 WeakPolarHBondContact O-CB 3.32Å; L392-S396 PolarHBondContact O-N 3.3Å; L392-S396 PolarHBondContact O-OG 3.31Å; L392-I571 HydrophobicContact CD1-CD1 3.49Å; L392-I571 VanDerWaalsContact CD1-CD1 3.49Å |
| 393 | M | 67.9 | Low | 66.7 | Low | 126 Ų | 126 | 107.5 Ų | 107.5 | 62% | 0.621 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.2 | -36 | 172.9 | -170.2 | 178.8 | -68.2 | 0 | 0 | 112.5 | L389 L390 R391 S396 | L389-M393 HydrophobicContact CD2-CE 4.26Å; L389-M393 PolarHBondContact O-N 3.31Å; L390-M393 PolarHBondContact O-N 3.17Å; R391-M393 VanDerWaalsContact C-N 3.32Å; M393-S396 PolarHBondContact O-OG 3.44Å |
| 394 | T | 71.8 | Confident | 64.5 | Low | 95 Ų | 95 | 109.9 Ų | 109.9 | 58% | 0.583 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -77.3 | -36.2 | 173.3 | 24.9 | 0 | 0 | 0 | 0 | 112.7 | L390 R391 S396 | L390-T394 PolarHBondContact O-N 2.81Å; L390-T394 PolarHBondContact O-OG1 3.23Å; R391-T394 WeakPolarHBondContact CA-OG1 3.44Å; R391-T394 PolarHBondContact O-N 3.26Å; R391-T394 PolarHBondContact O-OG1 3.14Å; T394-S396 PolarHBondContact O-N 2.82Å |
| 395 | A | 65.4 | Low | 61.6 | Low | 87 Ų | 87 | 112.4 Ų | 112.4 | 72% | 0.719 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 0.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R391 | R391-A395 WeakPolarHBondContact O-CB 3.3Å; R391-A395 PolarHBondContact O-N 2.92Å |
| 396 | S | 55.1 | Low | 59.2 | Low | 71 Ų | 71 | 115.7 Ų | 115.7 | 50% | 0.497 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.3 | 9.4 | 177.4 | 44.4 | 0 | 0 | 0 | 0 | 113.9 | L392 M393 T394 P398 | L392-S396 WeakPolarHBondContact O-CB 3.32Å; L392-S396 PolarHBondContact O-N 3.3Å; L392-S396 PolarHBondContact O-OG 3.31Å; M393-S396 PolarHBondContact O-OG 3.44Å; T394-S396 PolarHBondContact O-N 2.82Å; S396-P398 WeakPolarHBondContact O-CD 3.49Å |
| 397 | Q | 44 | Very low | 56.6 | Low | 161 Ų | 161 | 115.3 Ų | 115.3 | 75% | 0.752 | 65% | 0.649 | S | S | * | * | trans | -88.1 | 112.3 | 175.8 | -168.6 | 164.8 | -18.6 | 0 | 0 | 110.6 | ||||
| 398 | P | 44.2 | Very low | 54.1 | Low | 121 Ų | 121 | 116.1 Ų | 116.1 | 79% | 0.786 | 67% | 0.668 | S | S | * | * | trans | -74.9 | 146.5 | -174.4 | -16.1 | 32 | 0 | 0 | 0 | 113.1 | S396 | S396-P398 WeakPolarHBondContact O-CD 3.49Š| ||
| 399 | L | 45.8 | Very low | 51.5 | Low | 169 Ų | 169 | 116.5 Ų | 116.5 | 89% | 0.885 | 69% | 0.685 | S | S | * | * | trans | -79.8 | 140.2 | 174.1 | -171.4 | 68.5 | 0 | 0 | 0 | 111.1 | ||||
| 400 | G | 35.8 | Very low | 48.9 | Very low | 70 Ų | 70 | 122.2 Ų | 122.2 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | trans | -149.9 | 109.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 401 | D | 37.9 | Very low | 46.6 | Very low | 126 Ų | 126 | 124 Ų | 124 | 67% | 0.674 | 71% | 0.711 | S | S | * | * | trans | -66.5 | 166.1 | 169.5 | -91.6 | 1.5 | 0 | 0 | 0 | 111.4 | ||||
| 402 | Q | 39.4 | Very low | 44.3 | Very low | 144 Ų | 144 | 120.9 Ų | 120.9 | 67% | 0.673 | 71% | 0.709 | S | S | * | * | cis | -155.1 | 154.1 | 4.1 | -133.2 | 162.3 | 73.7 | 0 | 0 | 108.2 | ||||
| 403 | D | 34.2 | Very low | 42.1 | Very low | 156 Ų | 156 | 122.5 Ų | 122.5 | 83% | 0.834 | 73% | 0.725 | S | S | * | * | 176.7 | 168.1 | 125 | -98.9 | -28.2 | 0 | 0 | 0 | 112 | |||||
| 404 | V | 44.2 | Very low | 40.3 | Very low | 121 Ų | 121 | 122 Ų | 122 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | trans | -123.1 | 126.9 | -156.3 | -166.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 405 | D | 31.7 | Very low | 38.4 | Very low | 148 Ų | 148 | 122.5 Ų | 122.5 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | -159.1 | 126 | 129.7 | -128.6 | -30.4 | 0 | 0 | 0 | 116.5 | |||||
| 406 | S | 37.8 | Very low | 36.7 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | trans | 18 | 108.8 | 146.6 | -50.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 407 | S | 35.9 | Very low | 35.6 | Very low | 121 Ų | 121 | 128 Ų | 128 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | 179.3 | 151.3 | 106.9 | 44.4 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 408 | A | 35.2 | Very low | 34.8 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | 57.7 | 72 | 155.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 409 | A | 33.8 | Very low | 34.1 | Very low | 84 Ų | 84 | 125.9 Ų | 125.9 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | trans | -5.1 | 127.9 | 147.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 410 | Y | 29 | Very low | 33.1 | Very low | 210 Ų | 210 | 126.4 Ų | 126.4 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | trans | 52.3 | 112.4 | 135.4 | -64.7 | -83.7 | 0 | 0 | 0 | 120.3 | ||||
| 411 | L | 33.1 | Very low | 32.9 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | 62.4 | 135.9 | 85.2 | -64.4 | -172 | 0 | 0 | 0 | 114.6 | |||||
| 412 | N | 31.5 | Very low | 32.7 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | cis | -154.3 | 139.9 | 31.2 | -139.8 | -19.7 | 0 | 0 | 0 | 115.4 | ||||
| 413 | S | 31.1 | Very low | 32 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | trans | 24.5 | 123.1 | 146.4 | -51.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 414 | S | 29.6 | Very low | 31.7 | Very low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | 166.5 | 157.1 | 101.1 | -74.2 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 415 | S | 31.8 | Very low | 30.9 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | 72.4 | 125 | 155.6 | -163.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 416 | T | 30.1 | Very low | 30.6 | Very low | 128 Ų | 128 | 126 Ų | 126 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | 178.1 | 144 | 124.8 | 24.7 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 417 | Q | 32.3 | Very low | 29.9 | Very low | 146 Ų | 146 | 126.8 Ų | 126.8 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | cis | -161 | 141.8 | -10.3 | -170.4 | 173.7 | 12.1 | 0 | 0 | 110.4 | T419 | Q417-T419 PolarHBondContact NE2-OG1 3.03Š| ||
| 418 | T | 26.3 | Very low | 29.3 | Very low | 149 Ų | 149 | 126.5 Ų | 126.5 | 91% | 0.914 | 77% | 0.767 | S | S | * | * | trans | -146.6 | 140.9 | 141.3 | 14 | 0 | 0 | 0 | 0 | 108 | ||||
| 419 | T | 30.5 | Very low | 28.7 | Very low | 88 Ų | 88 | 127.1 Ų | 127.1 | 54% | 0.54 | 77% | 0.765 | S | S | . | * | trans | -101.5 | 129 | -151.2 | -54.5 | 0 | 0 | 0 | 0 | 114.1 | Q417 L421 | Q417-T419 PolarHBondContact NE2-OG1 3.03Å; T419-L421 HydrophobicContact CG2-CG 4.24Å | ||
| 420 | E | 24.7 | Very low | 28.2 | Very low | 181 Ų | 181 | 128.8 Ų | 128.8 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -125.2 | 145.2 | 151 | -82.3 | -73.6 | 144.2 | 0 | 0 | 106.9 | ||||
| 421 | L | 29.9 | Very low | 27.9 | Very low | 151 Ų | 151 | 126.3 Ų | 126.3 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -120.6 | 124.4 | 177.2 | -80.2 | 169.1 | 0 | 0 | 0 | 109 | T419 | T419-L421 HydrophobicContact CG2-CG 4.24Š| ||
| 422 | P | 34.3 | Very low | 27.5 | Very low | 126 Ų | 126 | 125 Ų | 125 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | -148.3 | 142.7 | 119.7 | 35.5 | -19.8 | 0 | 0 | 0 | 115.8 | |||||
| 423 | S | 25 | Very low | 27.2 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -162.6 | 154.3 | 153.6 | -143.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 424 | E | 28.1 | Very low | 26.9 | Very low | 187 Ų | 187 | 125.2 Ų | 125.2 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | cis | -149.2 | 170.5 | -0.4 | -153.1 | 162.5 | -164.4 | 0 | 0 | 108.1 | ||||
| 425 | G | 27.8 | Very low | 26.8 | Very low | 66 Ų | 66 | 126.4 Ų | 126.4 | 68% | 0.68 | 77% | 0.771 | S | S | * | * | trans | -119.6 | 128.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 426 | S | 24.4 | Very low | 26.6 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -164.1 | 151.6 | 163.5 | -86.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 427 | S | 23.3 | Very low | 26.4 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | 67.9 | 91.7 | 158.2 | -58.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 428 | S | 22.9 | Very low | 26.2 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | 34.9 | 115 | 119.5 | 171.3 | 0 | 0 | 0 | 0 | 120 | |||||
| 429 | S | 23.7 | Very low | 26.2 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | -178.6 | 157.5 | 107.8 | 43.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 430 | C | 22.1 | Very low | 25.9 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -111.2 | 174.6 | 167.7 | -68.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 431 | L | 23.7 | Very low | 26.1 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | 80.4 | 145.6 | 169.2 | -89.2 | 81.6 | 0 | 0 | 0 | 119.3 | ||||
| 432 | S | 24.7 | Very low | 26.8 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | 69 | 148.8 | 151.6 | 66.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 433 | Q | 24.2 | Very low | 27.5 | Very low | 175 Ų | 175 | 136 Ų | 136 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | cis | -165.5 | 173.9 | -21 | 176.4 | 160.3 | -9.3 | 0 | 0 | 107 | ||||
| 434 | G | 25.4 | Very low | 27.8 | Very low | 55 Ų | 55 | 136.9 Ų | 136.9 | 57% | 0.567 | 79% | 0.788 | S | S | * | * | trans | -58.6 | 179.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 435 | D | 28.4 | Very low | 28 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | cis | -172.7 | 175 | 38.9 | -90 | -48.2 | 0 | 0 | 0 | 107.6 | ||||
| 436 | T | 27.3 | Very low | 28.9 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | cis | -157.9 | 171 | -2.7 | 10.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 437 | K | 26.4 | Very low | 29.1 | Very low | 190 Ų | 190 | 137 Ų | 137 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | 156.4 | 98.9 | 105.7 | -165.2 | 159.9 | -172.2 | 172.5 | 0 | 114.8 | |||||
| 438 | S | 27 | Very low | 29.3 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | 74.3 | 142.6 | 133.1 | -179.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 439 | R | 26 | Very low | 29.5 | Very low | 224 Ų | 224 | 139.8 Ų | 139.8 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | cis | 179.4 | 130.1 | -16.3 | 171.2 | -175.5 | -179.2 | -163.4 | 2.8 | 109.1 | ||||
| 440 | R | 24.4 | Very low | 29.6 | Very low | 242 Ų | 242 | 140 Ų | 140 | 91% | 0.913 | 77% | 0.771 | S | S | * | * | trans | -175 | 167.2 | 138.2 | -104.6 | 168.5 | -162.8 | -117.4 | 4.3 | 111.7 | ||||
| 441 | L | 28.8 | Very low | 29.8 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | trans | -130.4 | 170.7 | -170.9 | -87.4 | 167.2 | 0 | 0 | 0 | 110.3 | ||||
| 442 | P | 44.3 | Very low | 31.4 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | trans | -102.5 | -146.3 | -161.2 | 44.6 | -38.9 | 0 | 0 | 0 | 111.2 | ||||
| 443 | P | 49.8 | Very low | 32.1 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | cis | -108.4 | -158.5 | -37.4 | 34.5 | -16.8 | 0 | 0 | 0 | 110.4 | ||||
| 444 | P | 30.4 | Very low | 32.4 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | -156.5 | 173.6 | 101.5 | 40.7 | -22 | 0 | 0 | 0 | 117.9 | |||||
| 445 | S | 32.6 | Very low | 33.7 | Very low | 111 Ų | 111 | 141 Ų | 141 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -167.9 | -177.4 | 166.7 | 68.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 446 | P | 47 | Very low | 33.6 | Very low | 100 Ų | 100 | 138.7 Ų | 138.7 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | cis | -128.3 | -104.6 | -6.1 | 37 | -15.4 | 0 | 0 | 0 | 113.1 | ||||
| 447 | H | 28.5 | Very low | 33.6 | Very low | 165 Ų | 165 | 140 Ų | 140 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | 76.5 | 129.1 | 177.2 | -56.8 | -55.6 | 0 | 0 | 0 | 116.9 | ||||
| 448 | N | 27.1 | Very low | 33.7 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | cis | -145.4 | 151 | 35.4 | -95.4 | -31.8 | 0 | 0 | 0 | 115.6 | ||||
| 449 | L | 28.1 | Very low | 33.7 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | 36.9 | 141.9 | 137.8 | -85 | 80.6 | 0 | 0 | 0 | 121.8 | ||||
| 450 | T | 24.8 | Very low | 33.6 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | cis | -153.3 | 173.5 | 7.4 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 451 | L | 26.8 | Very low | 33.7 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | -108.3 | -163.8 | 179.1 | -131.2 | 76.1 | 0 | 0 | 0 | 113.3 | ||||
| 452 | P | 57.4 | Low | 34 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | trans | -104.2 | -171 | -144.6 | 47.5 | -33.6 | 0 | 0 | 0 | 113.3 | ||||
| 453 | P | 38.5 | Very low | 33.3 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | -155.9 | -143.7 | 78.1 | 45.1 | -22.6 | 0 | 0 | 0 | 114.1 | |||||
| 454 | D | 31.6 | Very low | 32.3 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | trans | -142.4 | -176.6 | 172.8 | -153.9 | 37.2 | 0 | 0 | 0 | 106 | ||||
| 455 | P | 51.5 | Low | 32.4 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | cis | -143.8 | -171.8 | 6.5 | 45.8 | -26.2 | 0 | 0 | 0 | 118 | ||||
| 456 | S | 26.6 | Very low | 32.2 | Very low | 92 Ų | 92 | 134.6 Ų | 134.6 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | trans | 90.9 | 133 | 141.8 | 75.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 457 | N | 28.5 | Very low | 31.2 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | trans | 52.2 | 132.7 | 146.5 | -62.2 | -16.7 | 0 | 0 | 0 | 122.9 | ||||
| 458 | V | 27.8 | Very low | 31.3 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | 174.1 | 118 | 116.8 | 152.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 459 | L | 26.3 | Very low | 31.2 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | trans | 40 | 120.2 | 140.1 | -161 | 73.7 | 0 | 0 | 0 | 123.6 | ||||
| 460 | R | 25.6 | Very low | 31.2 | Very low | 238 Ų | 238 | 132.4 Ų | 132.4 | 90% | 0.898 | 74% | 0.74 | S | S | * | * | -173.5 | 154.9 | 115.2 | -102.1 | 171.8 | -170 | 162.6 | 6 | 114.6 | |||||
| 461 | I | 26.1 | Very low | 31.3 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 72% | 0.723 | 74% | 0.744 | S | S | * | * | trans | -141.4 | 137 | -174.3 | -75.7 | 170.3 | 0 | 0 | 0 | 107.1 | ||||
| 462 | P | 35 | Very low | 32.4 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | -120.8 | 143.6 | 92.3 | -1.5 | 23.9 | 0 | 0 | 0 | 111.7 | |||||
| 463 | S | 28.7 | Very low | 30.9 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | cis | 69.7 | 127.9 | 41.8 | 81.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 464 | S | 30.5 | Very low | 30.2 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | cis | -141 | -157.5 | 10.6 | 54.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 465 | Q | 30.5 | Very low | 30.1 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | cis | -167.3 | 166.6 | -3.1 | -128.3 | 152.1 | -43.8 | 0 | 0 | 104.4 | ||||
| 466 | N | 28.9 | Very low | 29.8 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | cis | -175.4 | 169.7 | -25.8 | -107.1 | 50.1 | 0 | 0 | 0 | 106.3 | ||||
| 467 | S | 27.1 | Very low | 29.8 | Very low | 76 Ų | 76 | 134.7 Ų | 134.7 | 53% | 0.531 | 75% | 0.751 | S | S | . | * | cis | -179.4 | 142.3 | -30.3 | 53.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 468 | M | 29.1 | Very low | 29.7 | Very low | 164 Ų | 164 | 132.3 Ų | 132.3 | 81% | 0.808 | 74% | 0.743 | S | S | * | * | trans | 70.6 | 154.7 | 144.9 | -75.3 | 160 | 141.4 | 0 | 0 | 118.8 | ||||
| 469 | D | 26.3 | Very low | 29.7 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 63% | 0.626 | 74% | 0.738 | S | S | * | * | cis | -156.2 | 164.3 | 4.2 | -128.6 | -23.7 | 0 | 0 | 0 | 117.1 | ||||
| 470 | L | 27.9 | Very low | 29.7 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | 63.9 | 162.2 | 146.2 | -78 | 159.9 | 0 | 0 | 0 | 125.8 | ||||
| 471 | H | 25.9 | Very low | 29.9 | Very low | 176 Ų | 176 | 128.8 Ų | 128.8 | 82% | 0.815 | 74% | 0.736 | S | S | * | * | trans | -133.3 | 179.4 | -176.2 | -90.7 | -70.2 | 0 | 0 | 0 | 108.4 | ||||
| 472 | P | 51.6 | Low | 30.1 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | cis | -138.6 | -172.2 | -40.7 | 40 | -22.4 | 0 | 0 | 0 | 114.2 | ||||
| 473 | A | 24.3 | Very low | 29.7 | Very low | 92 Ų | 92 | 129.5 Ų | 129.5 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | trans | 92 | 152.5 | 145.3 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 474 | S | 25.2 | Very low | 29.6 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 89% | 0.888 | 74% | 0.741 | S | S | * | * | trans | 78.1 | 146.7 | 162 | 66.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 475 | S | 28.2 | Very low | 29.5 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | trans | -119.4 | -175.6 | 166.5 | 61.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 476 | P | 45.6 | Very low | 29.4 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 63% | 0.63 | 75% | 0.745 | S | S | * | * | cis | -141.7 | -154.3 | 11.5 | 32.4 | -5.2 | 0 | 0 | 0 | 115.2 | ||||
| 477 | F | 26.9 | Very low | 29.5 | Very low | 181 Ų | 181 | 131.9 Ų | 131.9 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | 75 | 152.7 | 171.6 | -65.1 | -83.8 | 0 | 0 | 0 | 118.5 | ||||
| 478 | T | 27.2 | Very low | 29.4 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 62% | 0.62 | 75% | 0.75 | S | S | * | * | cis | -162.3 | 177.4 | -38.5 | 27.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 479 | D | 26.5 | Very low | 29.3 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 87.4 | 95.3 | 147 | -55.7 | -38.8 | 0 | 0 | 0 | 123.5 | ||||
| 480 | D | 27.6 | Very low | 30.3 | Very low | 156 Ų | 156 | 131.5 Ų | 131.5 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | 80.1 | 166 | 109.1 | -113.5 | 22.1 | 0 | 0 | 0 | 126 | |||||
| 481 | I | 29 | Very low | 30.3 | Very low | 155 Ų | 155 | 131.3 Ų | 131.3 | 80% | 0.795 | 75% | 0.75 | S | S | * | * | trans | 86.1 | 132.8 | 171.4 | -59.4 | 178.9 | 0 | 0 | 0 | 117.7 | ||||
| 482 | L | 30.3 | Very low | 30.4 | Very low | 159 Ų | 159 | 127.6 Ų | 127.6 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | cis | -170.3 | 159.7 | -21.2 | -179.4 | 58.6 | 0 | 0 | 0 | 111.3 | ||||
| 483 | S | 26.2 | Very low | 29.3 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | 96.2 | 135 | 152.6 | -153.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 484 | G | 27.8 | Very low | 29.4 | Very low | 63 Ų | 63 | 128.2 Ų | 128.2 | 65% | 0.649 | 75% | 0.746 | S | S | * | * | cis | 164.5 | 159.9 | -11.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 485 | S | 27.2 | Very low | 29.5 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | trans | 76.4 | 150.5 | 163.6 | -71.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 486 | R | 29.8 | Very low | 29.4 | Very low | 211 Ų | 211 | 133.3 Ų | 133.3 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | cis | -173.6 | 155.6 | -28.5 | -138.9 | 87.8 | 171.8 | -107.9 | -2.1 | 111.2 | ||||
| 487 | K | 29.2 | Very low | 28.4 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 73% | 0.726 | 75% | 0.746 | S | S | * | * | trans | 69 | 155.1 | 151.2 | -72 | 175.6 | 156.6 | -83.5 | 0 | 119.4 | ||||
| 488 | D | 25.6 | Very low | 28.3 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 63% | 0.631 | 74% | 0.742 | S | S | * | * | cis | -154.8 | 172.6 | -9.1 | -112.5 | -19.4 | 0 | 0 | 0 | 113.2 | ||||
| 489 | V | 26.5 | Very low | 28.3 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 79% | 0.788 | 76% | 0.755 | S | S | * | * | trans | -147.7 | -174.3 | -176.3 | -64.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 490 | P | 47.1 | Very low | 28.1 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | cis | -142.8 | -150.3 | 4.4 | 37.3 | -11.5 | 0 | 0 | 0 | 115.1 | ||||
| 491 | N | 28.2 | Very low | 28 | Very low | 147 Ų | 147 | 131.6 Ų | 131.6 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | trans | 86.5 | 148.5 | 151.8 | -73.8 | -3.2 | 0 | 0 | 0 | 121.4 | ||||
| 492 | S | 28.2 | Very low | 27.8 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | cis | -173.4 | 150.9 | -10.9 | 50.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 493 | A | 28.2 | Very low | 27.4 | Very low | 89 Ų | 89 | 133.5 Ų | 133.5 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | 67.1 | 155.4 | 144.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 494 | T | 27.6 | Very low | 27.3 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | cis | -163.4 | 169.2 | -7.6 | 7.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 495 | R | 27.6 | Very low | 27.2 | Very low | 198 Ų | 198 | 136.4 Ų | 136.4 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | trans | 91 | 109.6 | 143.1 | -91.6 | -170.4 | 147 | 154.3 | -2.6 | 124.1 | ||||
| 496 | E | 25.7 | Very low | 27.1 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 67% | 0.673 | 75% | 0.754 | S | S | * | * | 70.1 | 137.6 | 116.4 | -78.8 | 175.3 | -134.7 | 0 | 0 | 124.8 | |||||
| 497 | T | 24.3 | Very low | 26.9 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | trans | 106.6 | 152.6 | 152.3 | -34.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 498 | A | 25.1 | Very low | 26.8 | Very low | 85 Ų | 85 | 136 Ų | 136 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | trans | -131.6 | -162.4 | -164.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 499 | Q | 25.7 | Very low | 27 | Very low | 194 Ų | 194 | 136.2 Ų | 136.2 | 91% | 0.907 | 77% | 0.773 | S | S | * | * | trans | 74.3 | 158.2 | -178.8 | -60.1 | -172.4 | 15.4 | 0 | 0 | 114.4 | ||||
| 500 | S | 23.6 | Very low | 26.8 | Very low | 94 Ų | 94 | 138.1 Ų | 138.1 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | cis | -175.5 | 178.4 | -23.2 | 173.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 501 | T | 24.7 | Very low | 25.7 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | 79.5 | 150.7 | 148.8 | -47.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 502 | V | 24.8 | Very low | 25.7 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | -160.9 | 151.2 | -50.1 | 85.8 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 503 | R | 22.6 | Very low | 25.4 | Very low | 235 Ų | 235 | 136.9 Ų | 136.9 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | 42.2 | 120.4 | 151.3 | -170.1 | -172.3 | -63.3 | -145 | -1.6 | 120.8 | ||||
| 504 | G | 24.8 | Very low | 25.4 | Very low | 77 Ų | 77 | 141.5 Ų | 141.5 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -156.2 | 146.8 | 156.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 505 | N | 23.9 | Very low | 25.9 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | -162.2 | 130 | -171.1 | -175.7 | 15 | 0 | 0 | 0 | 112.9 | ||||
| 506 | A | 26.1 | Very low | 25.7 | Very low | 81 Ų | 81 | 134.7 Ų | 134.7 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | 162.2 | 121 | 139.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 507 | K | 25.7 | Very low | 26 | Very low | 209 Ų | 209 | 138 Ų | 138 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | 68.6 | 152.9 | 136.6 | -62.5 | -176.4 | 177.2 | -178.1 | 0 | 122.9 | ||||
| 508 | Q | 26.5 | Very low | 26.3 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -111.8 | -177.4 | -176.3 | -57 | 167.6 | -63.7 | 0 | 0 | 111.9 | ||||
| 509 | P | 29.6 | Very low | 26.7 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | -146.9 | 148.2 | 112.9 | 38.3 | -23.7 | 0 | 0 | 0 | 118.9 | |||||
| 510 | L | 23.5 | Very low | 27.2 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | trans | 68.3 | 168.5 | 147.5 | -112.5 | 65.5 | 0 | 0 | 0 | 123.8 | ||||
| 511 | S | 22.7 | Very low | 28 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | trans | -157.3 | 172.9 | -154.9 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 512 | P | 28.1 | Very low | 28.6 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | -135.1 | 153.4 | 122.8 | 36.9 | -26.1 | 0 | 0 | 0 | 113.6 | |||||
| 513 | T | 23.8 | Very low | 29.2 | Very low | 105 Ų | 105 | 135 Ų | 135 | 64% | 0.644 | 76% | 0.762 | S | S | * | * | cis | 84.7 | 122.5 | 33.5 | -72.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 514 | F | 26.5 | Very low | 29.7 | Very low | 186 Ų | 186 | 130.7 Ų | 130.7 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | cis | -167.8 | -175.8 | -3.4 | -107.2 | -32 | 0 | 0 | 0 | 108.3 | ||||
| 515 | P | 38.1 | Very low | 30.2 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | cis | -132.4 | 160.8 | -34.4 | 36.2 | -20.1 | 0 | 0 | 0 | 114.2 | ||||
| 516 | G | 24.1 | Very low | 30.7 | Very low | 71 Ų | 71 | 131.5 Ų | 131.5 | 73% | 0.732 | 73% | 0.734 | S | S | * | * | trans | -123.1 | 141.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 517 | R | 31.1 | Very low | 31.2 | Very low | 213 Ų | 213 | 131.9 Ų | 131.9 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | -96.7 | 130.1 | -179.4 | -88.5 | -176.5 | 161.7 | 134.5 | 1 | 112.2 | E521 | R517-E521 IonicContact CZ-OE2 2.69Å; R517-E521 IonicContact NE-OE2 2.89Å; R517-E521 PolarHBondContact NE-OE2 3.22Å; R517-E521 IonicContact NH2-OE2 3.91Å | ||
| 518 | T | 30.5 | Very low | 31.4 | Very low | 124 Ų | 124 | 126 Ų | 126 | 76% | 0.761 | 71% | 0.713 | S | S | * | * | trans | -139.3 | 127.9 | 174.3 | 39.8 | 0 | 0 | 0 | 0 | 113 | E520 | T518-E520 VanDerWaalsContact C-N 3.32Å; T518-E520 PolarHBondContact O-N 2.86Å | ||
| 519 | A | 35.5 | Very low | 31.7 | Very low | 90 Ų | 90 | 123.7 Ų | 123.7 | 74% | 0.744 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 49.1 | -38.8 | 152.2 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||
| 520 | E | 35.9 | Very low | 31.9 | Very low | 168 Ų | 168 | 126.3 Ų | 126.3 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -94.5 | -23.7 | -165.6 | -61.7 | -166.4 | 136.4 | 0 | 0 | 114.5 | T518 A522 V523 | T518-E520 VanDerWaalsContact C-N 3.32Å; T518-E520 PolarHBondContact O-N 2.86Å; E520-A522 PolarHBondContact O-N 2.89Å; E520-V523 PolarHBondContact O-N 2.97Å |
| 521 | E | 40.4 | Very low | 32.1 | Very low | 128 Ų | 128 | 125.6 Ų | 125.6 | 60% | 0.598 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -59 | -30.9 | 172.9 | -74.5 | -167 | 109.6 | 0 | 0 | 112.6 | R517 V523 H524 F525 | R517-E521 IonicContact CZ-OE2 2.69Å; R517-E521 IonicContact NE-OE2 2.89Å; R517-E521 PolarHBondContact NE-OE2 3.22Å; R517-E521 IonicContact NH2-OE2 3.91Å; E521-V523 VanDerWaalsContact C-N 3.29Å; E521-V523 PolarHBondContact O-N 2.08Å; E521-H524 PolarHBondContact O-N 3.37Å; E521-F525 PolarHBondContact O-N 3.2Å |
| 522 | A | 36.9 | Very low | 32.3 | Very low | 73 Ų | 73 | 132.4 Ų | 132.4 | 60% | 0.603 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -67.6 | -24.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | E520 | E520-A522 PolarHBondContact O-N 2.89Å |
| 523 | V | 37.5 | Very low | 32.2 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 66% | 0.661 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -93.6 | -26.8 | -176.9 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | E520 E521 T527 | E520-V523 PolarHBondContact O-N 2.97Å; E521-V523 VanDerWaalsContact C-N 3.29Å; E521-V523 PolarHBondContact O-N 2.08Å; V523-T527 PolarHBondContact O-OG1 2.89Å |
| 524 | H | 33.3 | Very low | 32.3 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -90.7 | -12.5 | -176.2 | -139.8 | -64.1 | 0 | 0 | 0 | 114.7 | E521 | E521-H524 PolarHBondContact O-N 3.37Å |
| 525 | F | 34.2 | Very low | 32.3 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -74.5 | -37.3 | 173.4 | -164.9 | -102.9 | 0 | 0 | 0 | 112.4 | E521 L529 | E521-F525 PolarHBondContact O-N 3.2Å; F525-L529 HydrophobicContact CE1-CD1 4.41Å |
| 526 | V | 35.6 | Very low | 31.9 | Very low | 103 Ų | 103 | 145 Ų | 145 | 62% | 0.624 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -72.8 | -33.9 | -176.7 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | ||
| 527 | T | 35.4 | Very low | 32.1 | Very low | 90 Ų | 90 | 147.7 Ų | 147.7 | 55% | 0.552 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -82.5 | -14.8 | -180 | 44 | 0 | 0 | 0 | 0 | 114.3 | V523 | V523-T527 PolarHBondContact O-OG1 2.89Å |
| 528 | S | 30.6 | Very low | 31.8 | Very low | 86 Ų | 86 | 142.8 Ų | 142.8 | 60% | 0.601 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -79.6 | -24.9 | -178.5 | -163.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 529 | L | 32.1 | Very low | 31.6 | Very low | 136 Ų | 136 | 147.1 Ų | 147.1 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -8.8 | -173.1 | -86.7 | 165.6 | 0 | 0 | 0 | 115.8 | F525 | F525-L529 HydrophobicContact CE1-CD1 4.41Š|
| 530 | Q | 34.7 | Very low | 31.1 | Very low | 175 Ų | 175 | 149.9 Ų | 149.9 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 0.1 | -175 | -72.8 | -168.8 | -22.3 | 0 | 0 | 115.6 | ||
| 531 | N | 28.1 | Very low | 30.6 | Very low | 155 Ų | 155 | 149 Ų | 149 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -136 | 42.5 | -173.2 | -118.8 | -23.6 | 0 | 0 | 0 | 115.2 | ||
| 532 | R | 25.9 | Very low | 29.8 | Very low | 238 Ų | 238 | 150.5 Ų | 150.5 | 90% | 0.898 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -138.8 | 47.5 | 173.3 | -149.5 | -170.7 | -174.8 | -155.6 | 1.4 | 116.9 | ||
| 533 | R | 26.2 | Very low | 29.1 | Very low | 250 Ų | 250 | 155.4 Ų | 155.4 | 94% | 0.943 | 76% | 0.762 | S | S | * | * | trans | -165.3 | 88.2 | 143.6 | -155.3 | 165.5 | -66.4 | -169.6 | 0.9 | 114 | ||||
| 534 | R | 25.2 | Very low | 28.5 | Very low | 231 Ų | 231 | 155.3 Ų | 155.3 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | -133.6 | 98.6 | 160.3 | -169 | -169.7 | -142.8 | -104.1 | 5.2 | 110 | ||||
| 535 | L | 27.3 | Very low | 28.1 | Very low | 169 Ų | 169 | 153 Ų | 153 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | trans | -145.2 | 129.1 | 167.2 | -85.5 | 173.7 | 0 | 0 | 0 | 108.4 | ||||
| 536 | N | 28.6 | Very low | 27.7 | Very low | 139 Ų | 139 | 154.7 Ų | 154.7 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -78.2 | 164.9 | 162.7 | -59.6 | -3.4 | 0 | 0 | 0 | 108.1 | ||||
| 537 | P | 29.7 | Very low | 27.3 | Very low | 127 Ų | 127 | 153.9 Ų | 153.9 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | -145.4 | 174.1 | 83.5 | 40 | -24 | 0 | 0 | 0 | 114.8 | |||||
| 538 | S | 24.6 | Very low | 26.7 | Very low | 111 Ų | 111 | 153.4 Ų | 153.4 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -88.1 | 173.1 | 160.1 | 51 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 539 | R | 26.2 | Very low | 26.4 | Very low | 215 Ų | 215 | 157 Ų | 157 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | trans | 68 | 97.3 | -177.4 | -74.9 | -175.7 | 156.7 | 179.6 | -4.9 | 117 | ||||
| 540 | V | 24.5 | Very low | 26.8 | Very low | 147 Ų | 147 | 156.2 Ų | 156.2 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | -131.2 | 126.2 | 119.1 | 176.1 | 0 | 0 | 0 | 0 | 107 | |||||
| 541 | E | 25.5 | Very low | 26.4 | Very low | 150 Ų | 150 | 154.9 Ų | 154.9 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | trans | -91.6 | 129.9 | 164.8 | -70 | 161.5 | 75.4 | 0 | 0 | 108 | ||||
| 542 | Q | 23.8 | Very low | 26.3 | Very low | 160 Ų | 160 | 155.3 Ų | 155.3 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | 166.2 | 154.8 | 121.5 | -93.4 | -174.6 | -16.1 | 0 | 0 | 113.9 | |||||
| 543 | F | 22.5 | Very low | 26.3 | Very low | 175 Ų | 175 | 150.2 Ų | 150.2 | 77% | 0.768 | 81% | 0.81 | S | S | * | * | trans | 50.9 | 90.8 | 162.5 | -62.3 | -61.9 | 0 | 0 | 0 | 119.9 | ||||
| 544 | A | 25.2 | Very low | 26.4 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -148 | 94.9 | 139.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 545 | S | 24.2 | Very low | 27.1 | Very low | 95 Ų | 95 | 136.4 Ų | 136.4 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | trans | -100.2 | 156.2 | 174.9 | -71.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 546 | H | 26.6 | Very low | 27.5 | Very low | 189 Ų | 189 | 134.8 Ų | 134.8 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | trans | 81.5 | 128.9 | 161.4 | -54.6 | -47.8 | 0 | 0 | 0 | 120.5 | ||||
| 547 | G | 26 | Very low | 28 | Very low | 86 Ų | 86 | 134.4 Ų | 134.4 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | 91.6 | 123.9 | 146.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 548 | G | 24.4 | Very low | 28.2 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | cis | -178.3 | 155.8 | -6.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 549 | L | 24.3 | Very low | 28.3 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -67.6 | 169.1 | 165.8 | -78.7 | 157.2 | 0 | 0 | 0 | 110.7 | ||||
| 550 | P | 40.1 | Very low | 28.6 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | cis | -137 | -165.1 | 26.8 | 23.7 | 3.8 | 0 | 0 | 0 | 114.5 | ||||
| 551 | M | 24.8 | Very low | 29 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | cis | 179.9 | 170 | -40 | -171.6 | 173 | 72.4 | 0 | 0 | 108.3 | ||||
| 552 | Q | 26.4 | Very low | 29.6 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | 78.2 | 146.9 | 166.9 | -58.2 | -165.2 | -21.2 | 0 | 0 | 117.1 | ||||
| 553 | V | 26.6 | Very low | 30.4 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | cis | -150.1 | 163.4 | -9.6 | 117.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 554 | G | 27.7 | Very low | 31.5 | Very low | 63 Ų | 63 | 125.5 Ų | 125.5 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | trans | -82.6 | -154.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 555 | P | 41.3 | Very low | 32.6 | Very low | 129 Ų | 129 | 124.3 Ų | 124.3 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | cis | -130.2 | -173.7 | 21.2 | 42.4 | -26.1 | 0 | 0 | 0 | 116.3 | ||||
| 556 | N | 34.4 | Very low | 34 | Very low | 135 Ų | 135 | 126.7 Ų | 126.7 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | -83.1 | 171.6 | 173.4 | -59.7 | -84 | 0 | 0 | 0 | 112.1 | ||||
| 557 | P | 39 | Very low | 35 | Very low | 130 Ų | 130 | 123 Ų | 123 | 84% | 0.844 | 74% | 0.736 | S | S | * | * | -128.8 | 163.9 | 87.3 | 38 | -31.4 | 0 | 0 | 0 | 114.7 | |||||
| 558 | K | 34 | Very low | 36 | Very low | 175 Ų | 175 | 123.3 Ų | 123.3 | 76% | 0.761 | 72% | 0.717 | S | S | * | * | trans | -95.6 | 156.6 | 175.7 | -62.2 | 176.6 | 179.2 | 177.2 | 0 | 111.1 | ||||
| 559 | L | 27.7 | Very low | 37.2 | Very low | 177 Ų | 177 | 125.2 Ų | 125.2 | 93% | 0.927 | 70% | 0.704 | S | S | * | * | trans | -133.8 | 145.7 | 140.6 | -166.8 | 60.7 | 0 | 0 | 0 | 109 | ||||
| 560 | T | 31.7 | Very low | 38.6 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 72% | 0.718 | 69% | 0.692 | S | S | * | * | trans | -118.6 | 132.4 | -163.5 | 44.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 561 | G | 33.3 | Very low | 39.2 | Very low | 78 Ų | 78 | 119.3 Ų | 119.3 | 80% | 0.804 | 66% | 0.662 | S | S | * | * | trans | -156.8 | 37.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 562 | F | 38.2 | Very low | 40.6 | Very low | 208 Ų | 208 | 117.2 Ų | 117.2 | 91% | 0.912 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 125.9 | 176.9 | -84.5 | -90.8 | 0 | 0 | 0 | 111 | ||
| 563 | V | 39.3 | Very low | 41.5 | Very low | 91 Ų | 91 | 114.6 Ų | 114.6 | 55% | 0.552 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 131.2 | 157.7 | 179.4 | 0 | 0 | 0 | 0 | 107.5 | ||
| 564 | S | 47.6 | Very low | 42.4 | Very low | 53 Ų | 53 | 112.8 Ų | 112.8 | 37% | 0.371 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 141.4 | 179.2 | 63.4 | 0 | 0 | 0 | 0 | 110.9 | E566 K567 | S564-E566 PolarHBondContact O-N 3.36Å; S564-E566 VanDerWaalsContact O-N 3.14Å; S564-K567 PolarHBondContact O-N 2.94Å |
| 565 | S | 47.3 | Very low | 43.1 | Very low | 82 Ų | 82 | 113.4 Ų | 113.4 | 57% | 0.573 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -59.2 | -26.5 | 178.1 | 49.9 | 0 | 0 | 0 | 0 | 112.3 | L568 Q569 | S565-L568 PolarHBondContact O-N 2.86Å; S565-Q569 WeakPolarHBondContact O-CB 3.25Å; S565-Q569 PolarHBondContact O-N 3.22Å |
| 566 | E | 53.1 | Low | 43.4 | Very low | 146 Ų | 146 | 109.6 Ų | 109.6 | 68% | 0.682 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -57.6 | -47.1 | 177.2 | -67 | 152.2 | -124.9 | 0 | 0 | 112.5 | S564 L568 Q569 E570 | S564-E566 PolarHBondContact O-N 3.36Å; S564-E566 VanDerWaalsContact O-N 3.14Å; E566-L568 VanDerWaalsContact C-N 3.32Å; E566-L568 PolarHBondContact O-N 3.31Å; E566-Q569 WeakPolarHBondContact O-CB 3.41Å; E566-Q569 PolarHBondContact O-N 2.89Å; E566-E570 WeakPolarHBondContact O-CB 3.29Å; E566-E570 PolarHBondContact O-N 3.48Å |
| 567 | K | 47.5 | Very low | 43.8 | Very low | 111 Ų | 111 | 108.2 Ų | 108.2 | 48% | 0.483 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69 | -30.2 | 176.4 | -74.9 | -165.1 | 172.5 | -170.8 | 0 | 113.1 | S564 I571 | S564-K567 PolarHBondContact O-N 2.94Å; K567-I571 WeakPolarHBondContact O-CD1 3.39Å; K567-I571 WeakPolarHBondContact O-CG1 3.47Å; K567-I571 PolarHBondContact O-N 3.1Å |
| 568 | L | 47.9 | Very low | 43.8 | Very low | 93 Ų | 93 | 107.5 Ų | 107.5 | 49% | 0.487 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -72.2 | -37.6 | 174.5 | -171.3 | 64.2 | 0 | 0 | 0 | 111.1 | S565 E566 I572 | S565-L568 PolarHBondContact O-N 2.86Å; E566-L568 VanDerWaalsContact C-N 3.32Å; E566-L568 PolarHBondContact O-N 3.31Å; L568-I572 HydrophobicContact CG-CD1 4.28Å; L568-I572 WeakPolarHBondContact O-CD1 3.13Å; L568-I572 VanDerWaalsContact O-CG1 3.3Å; L568-I572 WeakPolarHBondContact O-CG1 3.5Å; L568-I572 PolarHBondContact O-N 2.91Å |
| 569 | Q | 48.9 | Very low | 44.1 | Very low | 119 Ų | 119 | 102.5 Ų | 102.5 | 56% | 0.556 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.9 | -46.3 | 173.2 | -158.8 | 84.6 | 30.2 | 0 | 0 | 110.7 | S565 E566 I571 I572 Q573 | S565-Q569 WeakPolarHBondContact O-CB 3.25Å; S565-Q569 PolarHBondContact O-N 3.22Å; E566-Q569 WeakPolarHBondContact O-CB 3.41Å; E566-Q569 PolarHBondContact O-N 2.89Å; Q569-I571 PolarHBondContact O-N 2.75Å; Q569-I572 PolarHBondContact O-N 2.88Å; Q569-Q573 WeakPolarHBondContact O-CB 3.26Å; Q569-Q573 PolarHBondContact O-N 3.31Å |
| 570 | E | 53.6 | Low | 44.7 | Very low | 128 Ų | 128 | 98.5 Ų | 98.5 | 60% | 0.598 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.2 | -43.8 | -178.5 | -167.9 | 168.1 | -131.1 | 0 | 0 | 112.6 | E566 Q573 E574 | E566-E570 WeakPolarHBondContact O-CB 3.29Å; E566-E570 PolarHBondContact O-N 3.48Å; E570-Q573 VanDerWaalsContact O-CB 3.31Å; E570-Q573 WeakPolarHBondContact O-CB 3.38Å; E570-Q573 PolarHBondContact O-N 2.88Å; E570-Q573 VanDerWaalsContact O-N 3.16Å; E570-E574 PolarHBondContact O-N 3.47Å |
| 571 | I | 52.5 | Low | 44.8 | Very low | 29 Ų | 29 | 97.7 Ų | 97.7 | 15% | 0.149 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 176.7 | -63 | 161.1 | 0 | 0 | 0 | 111.8 | L392 K567 Q569 Q573 L575 | L392-I571 HydrophobicContact CD1-CD1 3.49Å; L392-I571 VanDerWaalsContact CD1-CD1 3.49Å; K567-I571 WeakPolarHBondContact O-CD1 3.39Å; K567-I571 WeakPolarHBondContact O-CG1 3.47Å; K567-I571 PolarHBondContact O-N 3.1Å; Q569-I571 PolarHBondContact O-N 2.75Å; I571-Q573 VanDerWaalsContact C-N 3.28Å; I571-L575 HydrophobicContact CG2-CD1 4.23Å; I571-L575 WeakPolarHBondContact O-CG 3.35Å; I571-L575 PolarHBondContact O-N 3.24Å |
| 572 | I | 54.7 | Low | 44.9 | Very low | 102 Ų | 102 | 102.7 Ų | 102.7 | 52% | 0.523 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.5 | -31.9 | 174.7 | -67 | 167.7 | 0 | 0 | 0 | 110.5 | L568 Q569 S576 | L568-I572 HydrophobicContact CG-CD1 4.28Å; L568-I572 WeakPolarHBondContact O-CD1 3.13Å; L568-I572 VanDerWaalsContact O-CG1 3.3Å; L568-I572 WeakPolarHBondContact O-CG1 3.5Å; L568-I572 PolarHBondContact O-N 2.91Å; Q569-I572 PolarHBondContact O-N 2.88Å; I572-S576 PolarHBondContact O-N 3.5Å |
| 573 | Q | 45.4 | Very low | 44.8 | Very low | 109 Ų | 109 | 98.7 Ų | 98.7 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.8 | -47.6 | 174.6 | -151.9 | 83.6 | 27.7 | 0 | 0 | 111.2 | Q569 E570 I571 L575 S576 M577 | Q569-Q573 WeakPolarHBondContact O-CB 3.26Å; Q569-Q573 PolarHBondContact O-N 3.31Å; E570-Q573 VanDerWaalsContact O-CB 3.31Å; E570-Q573 WeakPolarHBondContact O-CB 3.38Å; E570-Q573 PolarHBondContact O-N 2.88Å; E570-Q573 VanDerWaalsContact O-N 3.16Å; I571-Q573 VanDerWaalsContact C-N 3.28Å; Q573-L575 PolarHBondContact O-N 3.41Å; Q573-S576 PolarHBondContact O-N 2.92Å; Q573-S576 VanDerWaalsContact O-N 3.11Å; Q573-S576 PolarHBondContact O-OG 2.84Å; Q573-M577 WeakPolarHBondContact O-CG 3.26Å; Q573-M577 PolarHBondContact O-N 3.33Å |
| 574 | E | 44.8 | Very low | 44.7 | Very low | 94 Ų | 94 | 97.8 Ų | 97.8 | 44% | 0.439 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -53.3 | -54.1 | 174.9 | -76.5 | -168.6 | 142.2 | 0 | 0 | 111.5 | K388 E570 S576 M577 | K388-E574 IonicContact NZ-OE2 2.64Å; K388-E574 PolarHBondContact NZ-OE2 3.42Å; E570-E574 PolarHBondContact O-N 3.47Å; E574-S576 PolarHBondContact O-N 3.04Å; E574-M577 PolarHBondContact O-N 3.38Å |
| 575 | L | 42.8 | Very low | 43.9 | Very low | 76 Ų | 76 | 101.8 Ų | 101.8 | 40% | 0.398 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.5 | -19.2 | -179.4 | -73.9 | 165.7 | 0 | 0 | 0 | 113.4 | A385 I571 Q573 | A385-L575 HydrophobicContact CB-CD1 4.19Å; I571-L575 HydrophobicContact CG2-CD1 4.23Å; I571-L575 WeakPolarHBondContact O-CG 3.35Å; I571-L575 PolarHBondContact O-N 3.24Å; Q573-L575 PolarHBondContact O-N 3.41Å |
| 576 | S | 47.2 | Very low | 43.3 | Very low | 49 Ų | 49 | 108.9 Ų | 108.9 | 34% | 0.343 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -86.2 | -17.2 | 175.4 | 78.6 | 0 | 0 | 0 | 0 | 114.4 | I572 Q573 E574 V580 | I572-S576 PolarHBondContact O-N 3.5Å; Q573-S576 PolarHBondContact O-N 2.92Å; Q573-S576 VanDerWaalsContact O-N 3.11Å; Q573-S576 PolarHBondContact O-OG 2.84Å; E574-S576 PolarHBondContact O-N 3.04Å; S576-V580 WeakPolarHBondContact O-CG2 3.44Å |
| 577 | M | 43.7 | Very low | 41.9 | Very low | 105 Ų | 105 | 111.9 Ų | 111.9 | 52% | 0.517 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -93.9 | -42.4 | -173.8 | -68.3 | -68.3 | 96.4 | 0 | 0 | 113.2 | Q573 E574 A579 V580 L581 | Q573-M577 WeakPolarHBondContact O-CG 3.26Å; Q573-M577 PolarHBondContact O-N 3.33Å; E574-M577 PolarHBondContact O-N 3.38Å; M577-A579 VanDerWaalsContact C-N 3.29Å; M577-A579 PolarHBondContact O-N 3.39Å; M577-V580 PolarHBondContact O-N 2.91Å; M577-L581 PolarHBondContact O-N 3.45Å |
| 578 | D | 38.6 | Very low | 41.3 | Very low | 115 Ų | 115 | 112.9 Ų | 112.9 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.9 | -37.5 | 179.9 | -73.2 | -30.5 | 0 | 0 | 0 | 112 | V580 L581 E582 | D578-V580 PolarHBondContact O-N 3.32Å; D578-V580 VanDerWaalsContact O-N 3.16Å; D578-L581 PolarHBondContact O-N 3Å; D578-E582 PolarHBondContact O-N 2.82Å |
| 579 | A | 40.5 | Very low | 40.3 | Very low | 70 Ų | 70 | 111.6 Ų | 111.6 | 58% | 0.579 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.2 | -19.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | M577 T583 | M577-A579 VanDerWaalsContact C-N 3.29Å; M577-A579 PolarHBondContact O-N 3.39Å; A579-T583 PolarHBondContact O-OG1 2.89Å |
| 580 | V | 40.4 | Very low | 39.4 | Very low | 94 Ų | 94 | 115.6 Ų | 115.6 | 57% | 0.57 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -96.9 | -32 | 177.2 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | S576 M577 D578 T583 | S576-V580 WeakPolarHBondContact O-CG2 3.44Å; M577-V580 PolarHBondContact O-N 2.91Å; D578-V580 PolarHBondContact O-N 3.32Å; D578-V580 VanDerWaalsContact O-N 3.16Å; V580-T583 PolarHBondContact O-N 3.38Å |
| 581 | L | 33.5 | Very low | 38.2 | Very low | 100 Ų | 100 | 114.2 Ų | 114.2 | 52% | 0.524 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -73.7 | -40.8 | -173.4 | -171.8 | 57.3 | 0 | 0 | 0 | 113.7 | M577 D578 T583 A584 L585 | M577-L581 PolarHBondContact O-N 3.45Å; D578-L581 PolarHBondContact O-N 3Å; L581-T583 PolarHBondContact O-N 3.15Å; L581-A584 PolarHBondContact O-N 2.97Å; L581-A584 VanDerWaalsContact O-N 3.11Å; L581-L585 HydrophobicContact CD1-CD1 4.23Å |
| 582 | E | 36.2 | Very low | 37 | Very low | 183 Ų | 183 | 118.2 Ų | 118.2 | 86% | 0.855 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -31.9 | 173.1 | -87.7 | -134.9 | 120.8 | 0 | 0 | 112.3 | D578 A584 | D578-E582 PolarHBondContact O-N 2.82Å; E582-A584 PolarHBondContact O-N 3.46Å |
| 583 | T | 35.9 | Very low | 35.7 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 76% | 0.755 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -13.5 | 179.7 | -43.8 | 0 | 0 | 0 | 0 | 112.6 | A579 V580 L581 | A579-T583 PolarHBondContact O-OG1 2.89Å; V580-T583 PolarHBondContact O-N 3.38Å; L581-T583 PolarHBondContact O-N 3.15Å |
| 584 | A | 35.6 | Very low | 34.7 | Very low | 73 Ų | 73 | 123.4 Ų | 123.4 | 60% | 0.603 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -21.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | L581 E582 | L581-A584 PolarHBondContact O-N 2.97Å; L581-A584 VanDerWaalsContact O-N 3.11Å; E582-A584 PolarHBondContact O-N 3.46Å |
| 585 | L | 32.6 | Very low | 33.6 | Very low | 136 Ų | 136 | 124.5 Ų | 124.5 | 71% | 0.712 | 70% | 0.704 | S | S | * | * | trans | -110.8 | 60.8 | -167.5 | -75.2 | 173.3 | 0 | 0 | 0 | 114.4 | L581 | L581-L585 HydrophobicContact CD1-CD1 4.23Š| ||
| 586 | R | 33.1 | Very low | 32.7 | Very low | 232 Ų | 232 | 126.3 Ų | 126.3 | 88% | 0.875 | 72% | 0.723 | S | S | * | * | trans | -143.9 | 35.8 | 167.1 | -125.6 | 175.2 | -161.3 | 154.7 | 9.4 | 117.2 | ||||
| 587 | F | 25.2 | Very low | 31.6 | Very low | 208 Ų | 208 | 132.7 Ų | 132.7 | 91% | 0.912 | 75% | 0.747 | S | S | * | * | trans | -132.6 | 119.4 | 163.6 | -79.3 | -80.2 | 0 | 0 | 0 | 111.2 | ||||
| 588 | P | 34.3 | Very low | 31.3 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | trans | -79.6 | 156.8 | 168.9 | 33.6 | -33.6 | 0 | 0 | 0 | 111.3 | ||||
| 589 | G | 26.6 | Very low | 30.6 | Very low | 66 Ų | 66 | 137.4 Ų | 137.4 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | trans | -143.7 | -163 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 590 | Q | 30 | Very low | 29.8 | Very low | 203 Ų | 203 | 140.3 Ų | 140.3 | 95% | 0.949 | 77% | 0.768 | S | S | * | * | trans | 75.2 | 145.7 | -170.6 | -55.8 | -172 | 13.7 | 0 | 0 | 114.4 | ||||
| 591 | A | 27.9 | Very low | 29 | Very low | 99 Ų | 99 | 142 Ų | 142 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | cis | -154.9 | 176.5 | -15.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 592 | S | 28.3 | Very low | 28.7 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -95.6 | 152.3 | -170.3 | 53.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 593 | K | 27.2 | Very low | 28.4 | Very low | 195 Ų | 195 | 141.4 Ų | 141.4 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | -170.9 | 112.5 | 146 | -107.2 | 159.3 | -173.8 | 177 | 0 | 115.5 | ||||
| 594 | T | 23.6 | Very low | 27.7 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | 35.2 | 117.2 | 135.4 | 54.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 595 | S | 22.6 | Very low | 27.9 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | 94.7 | 153.7 | 119.4 | -154 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 596 | S | 24.1 | Very low | 27.8 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 80.1 | 125.3 | 166.4 | 67.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 597 | Q | 24.5 | Very low | 27.5 | Very low | 183 Ų | 183 | 138.1 Ų | 138.1 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -94.9 | -167.9 | 154.6 | -47.6 | 179.7 | -32 | 0 | 0 | 108 | ||||
| 598 | P | 37.2 | Very low | 27.7 | Very low | 93 Ų | 93 | 136.3 Ų | 136.3 | 60% | 0.604 | 79% | 0.787 | S | S | * | * | cis | -140.6 | -169.1 | -6.1 | 43.2 | -24.7 | 0 | 0 | 0 | 115.5 | ||||
| 599 | R | 23.7 | Very low | 27.3 | Very low | 227 Ų | 227 | 135.1 Ų | 135.1 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | trans | 72.8 | 150.1 | 150.4 | -80 | 175.8 | -172.7 | 174.3 | 2.1 | 117.9 | ||||
| 600 | L | 23.9 | Very low | 27.3 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | cis | -167.3 | 164.3 | -13 | -169.5 | 69.5 | 0 | 0 | 0 | 109.3 | ||||
| 601 | N | 24.3 | Very low | 27.1 | Very low | 128 Ų | 128 | 133 Ų | 133 | 68% | 0.684 | 78% | 0.778 | S | S | * | * | trans | 72.2 | 145.4 | 151 | -92.2 | 10.8 | 0 | 0 | 0 | 118.6 | ||||
| 602 | T | 25.8 | Very low | 27.1 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | cis | -160 | 178.1 | -9.2 | -8.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 603 | L | 29.2 | Very low | 27.1 | Very low | 162 Ų | 162 | 138 Ų | 138 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | 83.6 | 111.2 | 159.3 | -70.8 | 153.9 | 0 | 0 | 0 | 118.9 | ||||
| 604 | S | 22.1 | Very low | 27.1 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -116.3 | 171.2 | 155.6 | -44.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 605 | P | 40.7 | Very low | 27.3 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | -153.3 | 159.3 | 81.3 | 39 | -20.1 | 0 | 0 | 0 | 117.4 | |||||
| 606 | L | 29.3 | Very low | 27.5 | Very low | 171 Ų | 171 | 143.6 Ų | 143.6 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | trans | 52 | 131.3 | 146.4 | -64 | 166.1 | 0 | 0 | 0 | 119.3 | ||||
| 607 | S | 27 | Very low | 27.7 | Very low | 102 Ų | 102 | 148.8 Ų | 148.8 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | cis | -155.5 | 177.2 | 10.9 | 68.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 608 | L | 29.1 | Very low | 28 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | cis | -130.2 | -142.7 | 8.4 | -162.7 | 63.3 | 0 | 0 | 0 | 109.7 | ||||
| 609 | C | 26.2 | Very low | 27.7 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 73% | 0.73 | 80% | 0.803 | S | S | * | * | trans | -156.9 | 131 | -172.3 | -170.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 610 | S | 26.6 | Very low | 28.2 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | -168.1 | 144.4 | 128.4 | -167 | 0 | 0 | 0 | 0 | 109 | |||||
| 611 | S | 26.7 | Very low | 28.5 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | -120.8 | 129.6 | -155.3 | -54.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 612 | H | 27.6 | Very low | 28.8 | Very low | 197 Ų | 197 | 141.2 Ų | 141.2 | 91% | 0.912 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -82 | 133 | 161 | -84.1 | -89.6 | 0 | 0 | 0 | 110.5 | ||
| 613 | S | 28.6 | Very low | 29.3 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 143.4 | 173.3 | 45.4 | 0 | 0 | 0 | 0 | 111.9 | ||
| 614 | L | 26.9 | Very low | 29.6 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 141.1 | 174 | -73.4 | 158.7 | 0 | 0 | 0 | 110.9 | ||
| 615 | F | 27.8 | Very low | 30.1 | Very low | 210 Ų | 210 | 142.7 Ų | 142.7 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -141 | 144.3 | 147.7 | -108.7 | -78.9 | 0 | 0 | 0 | 110.8 | ||||
| 616 | Q | 26.3 | Very low | 29.9 | Very low | 180 Ų | 180 | 149.4 Ų | 149.4 | 84% | 0.841 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 138.2 | -165.9 | -166.1 | 170.5 | 6.3 | 0 | 0 | 110.7 | P618 | Q616-P618 WeakPolarHBondContact O-CD 3.05Š|
| 617 | Y | 29 | Very low | 30.1 | Very low | 222 Ų | 222 | 150.5 Ų | 150.5 | 87% | 0.871 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 129.6 | -177 | -90 | -98.7 | 0 | 0 | 0 | 113.1 | ||
| 618 | P | 30.7 | Very low | 30.5 | Very low | 111 Ų | 111 | 157.4 Ų | 157.4 | 72% | 0.721 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 142.8 | 152.7 | -5.2 | 25.1 | 0 | 0 | 0 | 110.2 | Q616 | Q616-P618 WeakPolarHBondContact O-CD 3.05Š|
| 619 | S | 30.5 | Very low | 30.6 | Very low | 124 Ų | 124 | 160.8 Ų | 160.8 | 87% | 0.867 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 146.1 | 172.8 | 47.5 | 0 | 0 | 0 | 0 | 111.8 | ||
| 620 | V | 34.6 | Very low | 30.9 | Very low | 145 Ų | 145 | 160.6 Ų | 160.6 | 88% | 0.879 | 84% | 0.835 | S | S | * | * | trans | -125.3 | 129.3 | 173.9 | 179.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 621 | S | 29.5 | Very low | 31.5 | Very low | 101 Ų | 101 | 160.9 Ų | 160.9 | 71% | 0.706 | 83% | 0.834 | S | S | * | * | trans | -87.1 | 149.9 | -176.2 | 53.4 | 0 | 0 | 0 | 0 | 113 | H623 | S621-H623 PolarHBondContact O-N 3.1Å; S621-H623 VanDerWaalsContact O-N 3.09Å | ||
| 622 | P | 31.7 | Very low | 31.6 | Very low | 123 Ų | 123 | 165.3 Ų | 165.3 | 80% | 0.799 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -91.5 | 53.8 | -161.3 | 37.5 | -38.9 | 0 | 0 | 0 | 114.4 | ||
| 623 | H | 35.1 | Very low | 31.6 | Very low | 185 Ų | 185 | 164.6 Ų | 164.6 | 86% | 0.856 | 84% | 0.837 | S | S | * | * | trans | -126.7 | 56 | -178.4 | -89.1 | 21.2 | 0 | 0 | 0 | 114.1 | S621 | S621-H623 PolarHBondContact O-N 3.1Å; S621-H623 VanDerWaalsContact O-N 3.09Å | ||
| 624 | A | 35.2 | Very low | 31.7 | Very low | 91 Ų | 91 | 165 Ų | 165 | 75% | 0.752 | 84% | 0.837 | S | S | * | * | trans | -153.5 | 170.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 625 | V | 32.3 | Very low | 31.7 | Very low | 138 Ų | 138 | 162.6 Ų | 162.6 | 84% | 0.836 | 83% | 0.834 | S | S | * | * | trans | 66.7 | 81.5 | 167.5 | -163.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 626 | R | 37.8 | Very low | 31.8 | Very low | 251 Ų | 251 | 164.3 Ų | 164.3 | 95% | 0.947 | 83% | 0.834 | S | S | * | * | trans | -124.7 | 60 | 155.6 | -155.5 | -178.6 | -153.9 | 175.1 | 9.7 | 112.3 | ||||
| 627 | K | 32.5 | Very low | 31.9 | Very low | 194 Ų | 194 | 167.5 Ų | 167.5 | 84% | 0.843 | 84% | 0.839 | S | S | * | * | trans | -147.8 | 109.8 | 171.9 | -104 | 170.1 | -176.1 | 175 | 0 | 112.6 | ||||
| 628 | R | 34.9 | Very low | 31.8 | Very low | 247 Ų | 247 | 161.3 Ų | 161.3 | 93% | 0.932 | 83% | 0.834 | S | S | * | * | trans | 13.9 | 136.4 | 156.6 | -57.2 | 178.9 | -179.2 | 173.6 | -0.9 | 119.9 | ||||
| 629 | R | 32.6 | Very low | 31.6 | Very low | 241 Ų | 241 | 163.7 Ų | 163.7 | 91% | 0.909 | 84% | 0.84 | S | S | * | * | trans | -129.1 | 163.5 | 155.3 | -85.7 | -167.7 | 175.4 | -175.2 | -0.1 | 111.5 | ||||
| 630 | P | 32.7 | Very low | 31.4 | Very low | 104 Ų | 104 | 163.7 Ų | 163.7 | 68% | 0.675 | 84% | 0.839 | S | S | * | * | trans | -81.9 | 177.4 | -162.9 | -12.4 | 31.4 | 0 | 0 | 0 | 114.8 | ||||
| 631 | P | 38.9 | Very low | 30.9 | Very low | 128 Ų | 128 | 162.2 Ų | 162.2 | 83% | 0.831 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 149.4 | -175.7 | 31.6 | -35.5 | 0 | 0 | 0 | 113.1 | ||
| 632 | F | 29.5 | Very low | 30.7 | Very low | 196 Ų | 196 | 163.3 Ų | 163.3 | 86% | 0.86 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 134.1 | 173.8 | -73.9 | -89.6 | 0 | 0 | 0 | 111.3 | ||
| 633 | H | 26.8 | Very low | 30.4 | Very low | 182 Ų | 182 | 162.6 Ų | 162.6 | 84% | 0.843 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 142.2 | 161.1 | -93.5 | -84.7 | 0 | 0 | 0 | 110.2 | S635 | H633-S635 PolarHBondContact O-N 2.93Š|
| 634 | P | 30 | Very low | 29.9 | Very low | 125 Ų | 125 | 163.7 Ų | 163.7 | 81% | 0.812 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 119.7 | 168.5 | 30.6 | -32.3 | 0 | 0 | 0 | 110.3 | ||
| 635 | S | 27 | Very low | 29.4 | Very low | 116 Ų | 116 | 169.8 Ų | 169.8 | 81% | 0.811 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -91 | 143.3 | 171.8 | 49.6 | 0 | 0 | 0 | 0 | 111.5 | H633 | H633-S635 PolarHBondContact O-N 2.93Š|
| 636 | R | 30.3 | Very low | 29.1 | Very low | 247 Ų | 247 | 169.5 Ų | 169.5 | 93% | 0.932 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 145 | 175.2 | -75.1 | -175.4 | 175.8 | -161.9 | -0.5 | 111 | ||
| 637 | R | 28.8 | Very low | 28.5 | Very low | 246 Ų | 246 | 160.2 Ų | 160.2 | 93% | 0.928 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 127.6 | 155.7 | -169.8 | 178.4 | -66 | 173.3 | -0.3 | 108.2 | ||
| 638 | A | 26.4 | Very low | 28.4 | Very low | 93 Ų | 93 | 156.3 Ų | 156.3 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 163.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 639 | L | 27.7 | Very low | 27.9 | Very low | 161 Ų | 161 | 152 Ų | 152 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -145 | 136.2 | 167.5 | -158.8 | 79 | 0 | 0 | 0 | 109.8 | ||||
| 640 | S | 25.5 | Very low | 28.1 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | 61.1 | 155.8 | 175.7 | 62.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 641 | S | 24.1 | Very low | 28.2 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -142.8 | 139.7 | -171.2 | 58.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 642 | S | 25.5 | Very low | 27.6 | Very low | 124 Ų | 124 | 148.2 Ų | 148.2 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -149.3 | 159.5 | 153.6 | 55.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 643 | C | 24.1 | Very low | 27.3 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 72% | 0.723 | 81% | 0.812 | S | S | * | * | trans | -112.8 | 165 | -157.3 | -62.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 644 | F | 24.6 | Very low | 27.1 | Very low | 208 Ų | 208 | 143.7 Ų | 143.7 | 91% | 0.912 | 81% | 0.809 | S | S | * | * | trans | 93.8 | 141.6 | 156.2 | -67.5 | -70.5 | 0 | 0 | 0 | 121.5 | ||||
| 645 | Y | 25.1 | Very low | 27 | Very low | 219 Ų | 219 | 144.2 Ų | 144.2 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -84.2 | 172 | 167.8 | -119.6 | -125.4 | 0 | 0 | 0 | 108.4 | ||||
| 646 | T | 27.1 | Very low | 27 | Very low | 132 Ų | 132 | 145.6 Ų | 145.6 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | cis | -140.4 | -176.6 | 33.6 | 52.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 647 | G | 25.3 | Very low | 26.9 | Very low | 57 Ų | 57 | 143.3 Ų | 143.3 | 59% | 0.588 | 79% | 0.787 | S | S | * | * | trans | -126.8 | -147 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 648 | S | 28.7 | Very low | 26.8 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | 73.3 | 124.2 | 172 | 36.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 649 | D | 25.9 | Very low | 26.9 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | trans | 95 | 158.2 | 135.1 | -59.8 | -7.3 | 0 | 0 | 0 | 123.6 | ||||
| 650 | V | 36.6 | Very low | 26.7 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 78% | 0.782 | 77% | 0.77 | S | S | * | * | trans | -119.5 | 144.7 | -160.1 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 651 | P | 34.8 | Very low | 26.7 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | trans | -139.4 | 167 | 145.3 | 21.8 | -0.6 | 0 | 0 | 0 | 113.7 | ||||
| 652 | I | 26.5 | Very low | 26.8 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | cis | -174.3 | 176.3 | -31.6 | -110.7 | 161.6 | 0 | 0 | 0 | 107.3 | ||||
| 653 | C | 23.2 | Very low | 26.8 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | trans | 90.9 | 139.2 | 173.9 | -67.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 654 | E | 22.4 | Very low | 27 | Very low | 167 Ų | 167 | 146 Ų | 146 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | cis | -113.9 | 146.3 | -1.9 | -74.3 | -164.3 | 100.5 | 0 | 0 | 111 | ||||
| 655 | L | 26.7 | Very low | 27.8 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 71% | 0.707 | 76% | 0.755 | S | S | * | * | 61.7 | 134.4 | 76.5 | -119.5 | 68.7 | 0 | 0 | 0 | 112.4 | |||||
| 656 | K | 27.1 | Very low | 27.8 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 64% | 0.635 | 75% | 0.748 | S | S | * | * | cis | -169.1 | 127.6 | 23.6 | -169.2 | 170.7 | -176.1 | 177.5 | 0 | 114.6 | ||||
| 657 | R | 28.9 | Very low | 27.7 | Very low | 198 Ų | 198 | 137.5 Ų | 137.5 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | trans | 66.4 | 163.8 | 146.3 | -71.2 | 178.7 | -172.3 | -166 | -1.4 | 119.5 | ||||
| 658 | D | 27.5 | Very low | 27.8 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 66% | 0.658 | 75% | 0.745 | S | S | * | * | cis | -162.5 | 176.2 | -8 | -105.4 | -20.3 | 0 | 0 | 0 | 107.1 | ||||
| 659 | T | 27.2 | Very low | 27.6 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | cis | -172.4 | 162.5 | -38.1 | -88 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 660 | C | 24.8 | Very low | 27.6 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 78% | 0.784 | 73% | 0.734 | S | S | * | * | trans | -75 | 156.6 | -174.1 | -50.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 661 | E | 25 | Very low | 26.9 | Very low | 169 Ų | 169 | 145.9 Ų | 145.9 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | 165.9 | 150.9 | 111.6 | -92.4 | -160.2 | 134.9 | 0 | 0 | 114.8 | |||||
| 662 | H | 25.3 | Very low | 26.4 | Very low | 169 Ų | 169 | 144 Ų | 144 | 78% | 0.782 | 73% | 0.73 | S | S | * | * | trans | 50.6 | 158.6 | 163.5 | -72.8 | -48.8 | 0 | 0 | 0 | 119.3 | ||||
| 663 | Q | 25.8 | Very low | 26.3 | Very low | 182 Ų | 182 | 143.9 Ų | 143.9 | 85% | 0.85 | 73% | 0.731 | S | S | * | * | cis | -149 | 167.9 | 15.2 | -148.5 | 166.7 | 22.2 | 0 | 0 | 110.3 | ||||
| 664 | N | 27.8 | Very low | 26.2 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | trans | -115.9 | 150.3 | 170.1 | -140.4 | 40.9 | 0 | 0 | 0 | 108.1 | ||||
| 665 | P | 42.5 | Very low | 26.3 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | -138.3 | -167.1 | 73.4 | 44.4 | -28.2 | 0 | 0 | 0 | 112.2 | |||||
| 666 | D | 24.9 | Very low | 26.4 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | cis | -159.5 | 173 | 24 | -129.8 | -29.5 | 0 | 0 | 0 | 114.3 | ||||
| 667 | E | 25.6 | Very low | 26.4 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | trans | 49 | 106.1 | 154 | -65 | -88.6 | 63.3 | 0 | 0 | 120.4 | ||||
| 668 | T | 26 | Very low | 26.3 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 64% | 0.638 | 74% | 0.74 | S | S | * | * | 71.5 | 145.3 | 81.2 | 68.2 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 669 | H | 26 | Very low | 26.3 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | cis | -165.4 | 157.3 | -16.6 | -131.1 | -75 | 0 | 0 | 0 | 111.9 | ||||
| 670 | F | 24.1 | Very low | 26.4 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 74% | 0.737 | 75% | 0.752 | S | S | * | * | trans | 61.5 | 174.8 | 161.5 | -68.2 | -62.3 | 0 | 0 | 0 | 118.4 | ||||
| 671 | R | 23 | Very low | 26.6 | Very low | 217 Ų | 217 | 143.8 Ų | 143.8 | 82% | 0.819 | 75% | 0.753 | S | S | * | * | cis | -174.7 | 154.6 | -43.6 | -168.5 | -164.8 | -176.4 | 163.2 | 0.3 | 110.9 | ||||
| 672 | A | 24.9 | Very low | 26.8 | Very low | 75 Ų | 75 | 139.9 Ų | 139.9 | 62% | 0.62 | 75% | 0.745 | S | S | * | * | trans | 79 | 127.3 | 152.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 673 | D | 22.7 | Very low | 26.9 | Very low | 147 Ų | 147 | 138 Ų | 138 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | 40.2 | 125.4 | 129.3 | -60.3 | -64.4 | 0 | 0 | 0 | 124.4 | |||||
| 674 | C | 22.1 | Very low | 27 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 75% | 0.75 | 74% | 0.74 | S | S | * | * | 78.3 | 143.3 | 127.9 | -71.5 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 675 | S | 24.4 | Very low | 27.1 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | trans | 73.1 | 106.4 | 147.5 | 47.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 676 | V | 28.7 | Very low | 26.5 | Very low | 130 Ų | 130 | 140 Ų | 140 | 79% | 0.788 | 74% | 0.738 | S | S | * | * | 38.5 | 110.7 | 118.5 | -173.7 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 677 | T | 26.7 | Very low | 26.7 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | -175.7 | 129.2 | 124.2 | 16.8 | 0 | 0 | 0 | 0 | 107 | |||||
| 678 | D | 28.1 | Very low | 26.7 | Very low | 147 Ų | 147 | 139 Ų | 139 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | 49 | 98.1 | 74 | -91.4 | -17.7 | 0 | 0 | 0 | 114.8 | |||||
| 679 | L | 27 | Very low | 27.1 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 93% | 0.927 | 75% | 0.751 | S | S | * | * | -160.1 | 151.1 | 111.4 | -147.4 | 64.3 | 0 | 0 | 0 | 113.4 | |||||
| 680 | D | 28.3 | Very low | 27.4 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | trans | -89.2 | 152 | 179.7 | 176.1 | 26.6 | 0 | 0 | 0 | 112.7 | ||||
| 681 | K | 29.8 | Very low | 27.8 | Very low | 186 Ų | 186 | 139.1 Ų | 139.1 | 81% | 0.809 | 75% | 0.745 | S | S | * | * | trans | 176 | 115.4 | 130.1 | -99.1 | -175.2 | 175.5 | -171.1 | 0 | 118.1 | ||||
| 682 | S | 28.3 | Very low | 28.1 | Very low | 88 Ų | 88 | 137.3 Ų | 137.3 | 62% | 0.615 | 75% | 0.746 | S | S | * | * | 26 | 128.3 | 124.6 | 67.7 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 683 | V | 28 | Very low | 28.3 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -150.9 | 119.3 | 136.6 | -171.9 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 684 | E | 29 | Very low | 28.7 | Very low | 164 Ų | 164 | 143 Ų | 143 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | 59.1 | 140.7 | 78.6 | -68.4 | -175.2 | 144.9 | 0 | 0 | 114 | |||||
| 685 | E | 30 | Very low | 29 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 64% | 0.64 | 75% | 0.75 | S | S | * | * | cis | -153.4 | -171.5 | 6.3 | -133 | -172.6 | 158.3 | 0 | 0 | 114.2 | ||||
| 686 | K | 28.8 | Very low | 29.3 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | trans | -44 | 178.2 | 179.4 | -67.2 | 154.8 | -166.7 | 156.7 | 0 | 117.5 | ||||
| 687 | E | 28.4 | Very low | 29.4 | Very low | 194 Ų | 194 | 143.2 Ų | 143.2 | 91% | 0.907 | 73% | 0.731 | S | S | * | * | cis | -128.6 | 167.9 | 22.3 | -62.7 | 167.4 | 116 | 0 | 0 | 110.9 | ||||
| 688 | G | 27.2 | Very low | 29.4 | Very low | 67 Ų | 67 | 143.6 Ų | 143.6 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | cis | 102.1 | 127.9 | 29.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 689 | D | 32.7 | Very low | 29.2 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | cis | -147.1 | -158.8 | 8.3 | -112.9 | 28.1 | 0 | 0 | 0 | 107.3 | ||||
| 690 | K | 33.9 | Very low | 29.2 | Very low | 144 Ų | 144 | 139 Ų | 139 | 63% | 0.626 | 71% | 0.708 | S | S | * | * | cis | -165 | 170.9 | 7.6 | -134.4 | 143 | 179.6 | 44 | 0 | 108.7 | ||||
| 691 | E | 31.7 | Very low | 29.1 | Very low | 137 Ų | 137 | 142.3 Ų | 142.3 | 64% | 0.64 | 71% | 0.71 | S | S | * | * | cis | -120.9 | -91.8 | -11.3 | -169.2 | 72.8 | -71.8 | 0 | 0 | 111.9 | ||||
| 692 | E | 30.1 | Very low | 28.9 | Very low | 179 Ų | 179 | 142.3 Ų | 142.3 | 84% | 0.836 | 71% | 0.713 | S | S | * | * | cis | -161.7 | -179.1 | -5.2 | -155.5 | 159.9 | -89 | 0 | 0 | 110.6 | ||||
| 693 | E | 29.5 | Very low | 28.8 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 87% | 0.874 | 72% | 0.72 | S | S | * | * | trans | -100.3 | 160 | -168.4 | -59.3 | -172.8 | 122.7 | 0 | 0 | 114.3 | ||||
| 694 | E | 31 | Very low | 28.8 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 73% | 0.729 | 72% | 0.718 | S | S | * | * | cis | -166.5 | -174.6 | -29.3 | -110.4 | -73.1 | 73.4 | 0 | 0 | 105.7 | ||||
| 695 | E | 28.2 | Very low | 28.7 | Very low | 137 Ų | 137 | 144.4 Ų | 144.4 | 64% | 0.64 | 72% | 0.722 | S | S | * | * | cis | -131.9 | 161.6 | 9.3 | -159.7 | -94.2 | 115.9 | 0 | 0 | 111.2 | K697 | E695-K697 IonicContact OE1-NZ 2.83Å; E695-K697 PolarHBondContact OE1-NZ 2.98Å; E695-K697 IonicContact OE2-NZ 3.22Å; E695-K697 PolarHBondContact OE2-NZ 3.39Å | ||
| 696 | A | 30 | Very low | 28.5 | Very low | 54 Ų | 54 | 142.3 Ų | 142.3 | 45% | 0.446 | 72% | 0.722 | S | S | . | * | trans | -79.4 | 164.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 697 | K | 29.9 | Very low | 28.5 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | -176.4 | 91.6 | 113.2 | -94.4 | 160.1 | -146.5 | 66.9 | 0 | 115.5 | E695 | E695-K697 IonicContact OE1-NZ 2.83Å; E695-K697 PolarHBondContact OE1-NZ 2.98Å; E695-K697 IonicContact OE2-NZ 3.22Å; E695-K697 PolarHBondContact OE2-NZ 3.39Å | |||
| 698 | N | 26.8 | Very low | 28.5 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | 44.3 | 113.9 | 117.3 | -158.3 | 39.3 | 0 | 0 | 0 | 121.6 | |||||
| 699 | C | 24.9 | Very low | 28.5 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 66% | 0.662 | 72% | 0.722 | S | S | * | * | trans | 65.5 | 155.1 | 135.6 | -82.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 700 | Q | 26.4 | Very low | 28.9 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 60% | 0.603 | 72% | 0.723 | S | S | * | * | cis | 179.4 | 161.2 | -4.7 | 158.3 | 178.9 | 96.3 | 0 | 0 | 111.5 | ||||
| 701 | R | 26.5 | Very low | 28.5 | Very low | 203 Ų | 203 | 141.2 Ų | 141.2 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | trans | 69.6 | 129.1 | 166.4 | -78.6 | 155.3 | -168 | 162.7 | 5.6 | 116.8 | ||||
| 702 | H | 25 | Very low | 28.2 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 87% | 0.866 | 74% | 0.736 | S | S | * | * | 80.7 | 141.5 | 58.1 | -98.8 | -102.4 | 0 | 0 | 0 | 115.5 | |||||
| 703 | A | 26.9 | Very low | 27.8 | Very low | 94 Ų | 94 | 145.6 Ų | 145.6 | 78% | 0.777 | 73% | 0.733 | S | S | * | * | trans | 74 | 152.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 704 | S | 27.1 | Very low | 27.7 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | cis | -174.5 | -179 | -48.7 | 51.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 705 | R | 27.7 | Very low | 27.5 | Very low | 225 Ų | 225 | 139.7 Ų | 139.7 | 85% | 0.849 | 73% | 0.734 | S | S | * | * | trans | 73.7 | 96.2 | 159.8 | -87 | -176.1 | 168.3 | 173.9 | -3.4 | 120.5 | ||||
| 706 | S | 26.5 | Very low | 27.4 | Very low | 92 Ų | 92 | 143.2 Ų | 143.2 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | 71.1 | 121.9 | 106.7 | 68.7 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 707 | H | 27.8 | Very low | 27.4 | Very low | 168 Ų | 168 | 147.5 Ų | 147.5 | 78% | 0.778 | 75% | 0.752 | S | S | * | * | trans | 83.3 | 122.1 | 134.6 | -83.1 | -66.2 | 0 | 0 | 0 | 123.1 | ||||
| 708 | N | 28.1 | Very low | 27.2 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | 82.6 | 102.4 | 143.3 | -60.7 | -0.6 | 0 | 0 | 0 | 121 | ||||
| 709 | C | 28.8 | Very low | 27.1 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | trans | 44.5 | 136.4 | 130.7 | -66.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 710 | P | 39.5 | Very low | 27.1 | Very low | 115 Ų | 115 | 146 Ų | 146 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | -155 | 169 | 79.2 | 42.1 | -23.5 | 0 | 0 | 0 | 119.4 | |||||
| 711 | L | 25.8 | Very low | 28.6 | Very low | 146 Ų | 146 | 145.5 Ų | 145.5 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | 36.7 | 129.1 | 144.1 | -84.6 | 80.7 | 0 | 0 | 0 | 124.4 | ||||
| 712 | W | 25 | Very low | 28.7 | Very low | 200 Ų | 200 | 143.9 Ų | 143.9 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | 87.2 | 135.2 | 126.5 | -93.5 | 56.9 | 0 | 0 | 0 | 125.4 | |||||
| 713 | R | 22.2 | Very low | 29 | Very low | 209 Ų | 209 | 143.7 Ų | 143.7 | 79% | 0.789 | 77% | 0.77 | S | S | * | * | trans | 99.2 | 138.1 | 138.5 | -159.1 | 172.8 | -75.4 | 178.8 | 4.1 | 119.3 | ||||
| 714 | C | 28.9 | Very low | 29 | Very low | 127 Ų | 127 | 142.2 Ų | 142.2 | 86% | 0.858 | 76% | 0.764 | S | S | * | * | trans | -107.1 | 161.2 | -177.9 | -39.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 715 | A | 25.3 | Very low | 29.1 | Very low | 91 Ų | 91 | 141.8 Ų | 141.8 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | -140.2 | 132.7 | 153.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 716 | R | 26.4 | Very low | 29.2 | Very low | 211 Ų | 211 | 139.2 Ų | 139.2 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | 67.1 | 141.1 | 70.5 | -89.5 | -179.9 | 169.7 | -158.2 | 5.8 | 113 | |||||
| 717 | Q | 29.1 | Very low | 29.3 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 67% | 0.673 | 77% | 0.774 | S | S | * | * | cis | -151.8 | 161.1 | 17.8 | -152.7 | 152.9 | -47.3 | 0 | 0 | 116 | ||||
| 718 | N | 27.5 | Very low | 29.4 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 66% | 0.663 | 78% | 0.775 | S | S | * | * | trans | -42.3 | 161.9 | 176.4 | -30.8 | -13.7 | 0 | 0 | 0 | 118.5 | ||||
| 719 | C | 24 | Very low | 29.5 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | -161.1 | 173.3 | 106.2 | -108.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 720 | S | 25.3 | Very low | 29.6 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | -138.6 | -139.6 | -161.2 | -55.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 721 | P | 58.4 | Low | 29.3 | Very low | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | -128.8 | -174.5 | -126.5 | 41.7 | -21.7 | 0 | 0 | 0 | 116.1 | |||||
| 722 | E | 27.4 | Very low | 29.6 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -170 | 136 | 148.3 | -110.2 | 172.7 | 177.2 | 0 | 0 | 111.9 | ||||
| 723 | H | 30.8 | Very low | 29.9 | Very low | 183 Ų | 183 | 134.5 Ų | 134.5 | 85% | 0.847 | 75% | 0.745 | S | S | * | * | 70.3 | 145.9 | 101.9 | -75.7 | 30.5 | 0 | 0 | 0 | 116.9 | |||||
| 724 | G | 27.1 | Very low | 30.3 | Very low | 63 Ų | 63 | 134 Ų | 134 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | cis | -142.3 | 172.6 | 0.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 725 | A | 30.5 | Very low | 30.3 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 79% | 0.793 | 74% | 0.737 | S | S | * | * | 72 | 142.9 | 98.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 726 | E | 28 | Very low | 30.5 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | cis | -160.5 | 159.5 | 22 | -148.2 | 150.9 | -124.6 | 0 | 0 | 112.7 | ||||
| 727 | E | 30.4 | Very low | 30.5 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | trans | 15.2 | 167.8 | 155.5 | -62.5 | 176.8 | 166.7 | 0 | 0 | 124.6 | ||||
| 728 | D | 29.8 | Very low | 30.4 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | -149.6 | -134.6 | -51.8 | -162.7 | 38.1 | 0 | 0 | 0 | 106.4 | S730 | D728-S730 PolarHBondContact OD2-N 3.44Š| |||
| 729 | D | 29.6 | Very low | 30.5 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | cis | -110.2 | 153.3 | -2.3 | 165.4 | 38.2 | 0 | 0 | 0 | 110.6 | K732 | D729-K732 VanDerWaalsContact CG-NZ 3.3Å; D729-K732 IonicContact OD1-NZ 3.21Å; D729-K732 PolarHBondContact OD1-NZ 3.05Å; D729-K732 VanDerWaalsContact OD1-NZ 3.16Å; D729-K732 IonicContact OD2-NZ 2.76Å; D729-K732 PolarHBondContact OD2-NZ 3.18Å | ||
| 730 | S | 31.5 | Very low | 30.6 | Very low | 61 Ų | 61 | 142.7 Ų | 142.7 | 43% | 0.427 | 75% | 0.746 | S | S | . | * | trans | -38.2 | 151.6 | 160.7 | 68.1 | 0 | 0 | 0 | 0 | 114.6 | D728 K732 | D728-S730 PolarHBondContact OD2-N 3.44Å; S730-K732 PolarHBondContact O-NZ 2.99Å; S730-K732 WeakPolarHBondContact OG-CE 3.37Å; S730-K732 PolarHBondContact OG-NZ 3.42Å | ||
| 731 | G | 31.5 | Very low | 30.6 | Very low | 77 Ų | 77 | 142.4 Ų | 142.4 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | cis | 149.4 | -130.2 | 36.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 732 | K | 33.3 | Very low | 29.2 | Very low | 148 Ų | 148 | 142.2 Ų | 142.2 | 64% | 0.643 | 75% | 0.746 | S | S | * | * | cis | -149.5 | 130.3 | -11 | -69 | 94.1 | 161 | 146.8 | 0 | 103.5 | D729 S730 | D729-K732 VanDerWaalsContact CG-NZ 3.3Å; D729-K732 IonicContact OD1-NZ 3.21Å; D729-K732 PolarHBondContact OD1-NZ 3.05Å; D729-K732 VanDerWaalsContact OD1-NZ 3.16Å; D729-K732 IonicContact OD2-NZ 2.76Å; D729-K732 PolarHBondContact OD2-NZ 3.18Å; S730-K732 PolarHBondContact O-NZ 2.99Å; S730-K732 WeakPolarHBondContact OG-CE 3.37Å; S730-K732 PolarHBondContact OG-NZ 3.42Å | ||
| 733 | Q | 32 | Very low | 29.2 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | cis | -131.6 | -124.3 | 10.9 | -148.7 | 179.6 | 17.4 | 0 | 0 | 108.7 | ||||
| 734 | R | 29 | Very low | 28.9 | Very low | 198 Ų | 198 | 137.2 Ų | 137.2 | 75% | 0.747 | 73% | 0.734 | S | S | * | * | cis | -148.2 | -126 | -0.7 | -165.9 | 147.7 | -79.9 | 166.4 | -1.8 | 111.4 | ||||
| 735 | H | 30.5 | Very low | 28.9 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 75% | 0.75 | 74% | 0.74 | S | S | * | * | trans | -145.4 | 163.1 | -163.5 | -68.4 | -17.3 | 0 | 0 | 0 | 112 | ||||
| 736 | R | 27.7 | Very low | 28.8 | Very low | 240 Ų | 240 | 145 Ų | 145 | 91% | 0.906 | 73% | 0.733 | S | S | * | * | cis | -151 | 166.3 | 30 | -146.2 | 174.9 | -157.7 | 175.4 | 5.3 | 113.1 | ||||
| 737 | C | 26.9 | Very low | 29 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 78% | 0.777 | 74% | 0.735 | S | S | * | * | trans | -64.7 | 164.6 | -174.7 | -47.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 738 | I | 27.1 | Very low | 29.2 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 81% | 0.805 | 73% | 0.733 | S | S | * | * | -165.3 | 126.1 | 73.4 | -80.7 | 168.3 | 0 | 0 | 0 | 106.7 | |||||
| 739 | R | 28.8 | Very low | 29.1 | Very low | 214 Ų | 214 | 138.5 Ų | 138.5 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | 75.9 | 130.4 | 70.9 | -155.7 | -178.8 | -166.1 | 161.9 | 14.2 | 113.7 | |||||
| 740 | D | 26.6 | Very low | 29.2 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 65% | 0.647 | 73% | 0.734 | S | S | * | * | cis | -157.2 | 170.4 | -7.1 | -103.4 | -15.3 | 0 | 0 | 0 | 109.7 | ||||
| 741 | S | 25.6 | Very low | 29.1 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | trans | 55.1 | 123.9 | 149.3 | -151.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 742 | S | 28.2 | Very low | 29.2 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | 54.7 | 141 | 57.4 | 86.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 743 | G | 27.8 | Very low | 29.1 | Very low | 68 Ų | 68 | 139.7 Ų | 139.7 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | cis | -179.1 | -159.1 | -0 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 744 | Y | 25.3 | Very low | 29 | Very low | 180 Ų | 180 | 139 Ų | 139 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | 66.2 | 158.9 | 175.5 | -93.8 | -43.2 | 0 | 0 | 0 | 116.9 | D746 | Y744-D746 WeakPolarHBondContact CE1-OD2 3.48Š| ||
| 745 | W | 28 | Very low | 28.9 | Very low | 203 Ų | 203 | 139 Ų | 139 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | cis | -126.8 | 168.5 | 9.6 | -94.1 | 101.6 | 0 | 0 | 0 | 114.8 | ||||
| 746 | D | 28.1 | Very low | 28.8 | Very low | 121 Ų | 121 | 136 Ų | 136 | 65% | 0.647 | 74% | 0.744 | S | S | * | * | trans | -75.3 | -174.1 | -174.5 | -56.9 | -80.7 | 0 | 0 | 0 | 116.4 | Y744 | Y744-D746 WeakPolarHBondContact CE1-OD2 3.48Š| ||
| 747 | S | 32.1 | Very low | 28.8 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | trans | -119.8 | 143.7 | 173.6 | -58 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 748 | D | 33.8 | Very low | 28.9 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | -154.2 | 141.6 | 153.6 | -139.8 | -26.3 | 0 | 0 | 0 | 115.3 | ||||
| 749 | S | 28.7 | Very low | 28.9 | Very low | 91 Ų | 91 | 137.5 Ų | 137.5 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | trans | 38.9 | 111.3 | 151 | -70.2 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 750 | S | 31.8 | Very low | 29.2 | Very low | 117 Ų | 117 | 137 Ų | 137 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | 81.3 | 159.5 | 115.7 | -61 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 751 | S | 29.4 | Very low | 29.9 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | trans | 81.3 | 145.9 | 166.5 | -151.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 752 | S | 32.1 | Very low | 30.1 | Very low | 88 Ų | 88 | 141.1 Ų | 141.1 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | cis | -169.3 | 167.5 | -32.5 | 50.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 753 | T | 32.3 | Very low | 30.2 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 68% | 0.681 | 74% | 0.736 | S | S | * | * | trans | 60.3 | 130.6 | 147.7 | 44.2 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 754 | D | 29.4 | Very low | 30.3 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | 100.6 | 122 | 127.6 | -67.9 | 1.2 | 0 | 0 | 0 | 126.2 | |||||
| 755 | Y | 27.1 | Very low | 30.6 | Very low | 199 Ų | 199 | 141.8 Ų | 141.8 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | trans | 43.8 | 117.4 | 143 | -71.6 | -86.7 | 0 | 0 | 0 | 125 | ||||
| 756 | C | 28.9 | Very low | 30.8 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 68% | 0.676 | 75% | 0.745 | S | S | * | * | trans | 16.6 | 132.1 | 133.2 | -53 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 757 | Y | 27.4 | Very low | 30.9 | Very low | 200 Ų | 200 | 139.4 Ų | 139.4 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | -174.2 | 127.1 | 100.1 | -116.7 | -110.6 | 0 | 0 | 0 | 114.7 | |||||
| 758 | Y | 29 | Very low | 30.9 | Very low | 185 Ų | 185 | 141.8 Ų | 141.8 | 73% | 0.725 | 75% | 0.751 | S | S | * | * | trans | 64.9 | 162.2 | 141.8 | -92.1 | -110.4 | 0 | 0 | 0 | 126.3 | ||||
| 759 | H | 26.8 | Very low | 30.6 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 73% | 0.731 | 76% | 0.756 | S | S | * | * | trans | 71.1 | 96.9 | 157.4 | -88.5 | -59.4 | 0 | 0 | 0 | 123.9 | ||||
| 760 | R | 34.6 | Very low | 30.6 | Very low | 203 Ų | 203 | 145 Ų | 145 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | -74.1 | 153.2 | 137.8 | -153 | -169.6 | -156.5 | 168.3 | 6 | 110 | ||||
| 761 | P | 41.3 | Very low | 30.4 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | -128.4 | -176.1 | 134.9 | 37.3 | -29.1 | 0 | 0 | 0 | 113.2 | ||||
| 762 | Y | 30.1 | Very low | 30.3 | Very low | 197 Ų | 197 | 147.3 Ų | 147.3 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | -95.7 | 169 | -166.4 | -82.3 | -115.9 | 0 | 0 | 0 | 113.4 | ||||
| 763 | C | 29.9 | Very low | 30.3 | Very low | 116 Ų | 116 | 150 Ų | 150 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | trans | -102.1 | 118.8 | 162.3 | -179.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 764 | D | 29.8 | Very low | 30.1 | Very low | 154 Ų | 154 | 149.8 Ų | 149.8 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -108.9 | 135.6 | 174.6 | -94.8 | -50.1 | 0 | 0 | 0 | 110.6 | ||||
| 765 | S | 32.7 | Very low | 30.1 | Very low | 107 Ų | 107 | 147.6 Ų | 147.6 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -108 | 114.9 | 176.6 | -66 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 766 | C | 30.7 | Very low | 30.1 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | trans | 178.5 | 142.1 | 137.9 | -97.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 767 | L | 30.3 | Very low | 30.2 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | 69 | 151.6 | 163 | -57.2 | 155.2 | 0 | 0 | 0 | 114.8 | ||||
| 768 | Q | 31.9 | Very low | 30.4 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | cis | -148.4 | 119.1 | 12.6 | -153.3 | 163.8 | -2.1 | 0 | 0 | 114 | G770 | Q768-G770 PolarHBondContact O-N 3.5Š| ||
| 769 | R | 29.3 | Very low | 30.6 | Very low | 243 Ų | 243 | 136.3 Ų | 136.3 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | trans | 34.2 | 71 | 135.3 | -154.5 | -178.9 | -161.7 | 151.3 | 3.7 | 121.4 | ||||
| 770 | G | 27.1 | Very low | 30.8 | Very low | 67 Ų | 67 | 135.3 Ų | 135.3 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | 69.1 | 169 | 121.3 | 0 | 0 | 0 | 0 | 0 | 124.7 | Q768 | Q768-G770 PolarHBondContact O-N 3.5Š| |||
| 771 | S | 27.6 | Very low | 30.7 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 91.6 | 144.3 | 156.4 | 76.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 772 | F | 28.6 | Very low | 30.3 | Very low | 179 Ų | 179 | 129.9 Ų | 129.9 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | 64.2 | 122.2 | 174.1 | -53.7 | -76.1 | 0 | 0 | 0 | 116.9 | ||||
| 773 | L | 30.6 | Very low | 30.4 | Very low | 145 Ų | 145 | 126.9 Ų | 126.9 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | 89 | 120.3 | 52.1 | -100.2 | 166.8 | 0 | 0 | 0 | 113.3 | |||||
| 774 | S | 28.8 | Very low | 30.5 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | 65.3 | 158.7 | 159.2 | -75.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 775 | S | 29.4 | Very low | 30.7 | Very low | 87 Ų | 87 | 126.8 Ų | 126.8 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | cis | -168.4 | 163.6 | -21.9 | -102.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 776 | D | 27.7 | Very low | 30.5 | Very low | 140 Ų | 140 | 132 Ų | 132 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | 61.5 | 132.7 | 147.3 | -53.7 | -18.3 | 0 | 0 | 0 | 123 | ||||
| 777 | S | 29.8 | Very low | 30.7 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | 74.1 | 149.6 | 138.8 | -65.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 778 | S | 31.7 | Very low | 30.6 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | cis | -169.4 | 173.9 | -23 | 61 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 779 | S | 33.3 | Very low | 30.6 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | trans | 71.8 | 145 | 149.8 | -65.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 780 | D | 32.1 | Very low | 30.7 | Very low | 136 Ų | 136 | 126.7 Ų | 126.7 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | cis | -165.7 | 170.6 | -18.5 | -121.6 | -58.2 | 0 | 0 | 0 | 112.1 | ||||
| 781 | S | 31.9 | Very low | 30.8 | Very low | 104 Ų | 104 | 130.4 Ų | 130.4 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | 65.9 | 155.5 | 162.7 | 75.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 782 | S | 33.4 | Very low | 30.9 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | cis | -177.6 | 158.7 | -13.4 | -98.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 783 | D | 31.3 | Very low | 30.9 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | cis | -164.5 | -178 | -11.5 | -129 | 104.7 | 0 | 0 | 0 | 111.8 | ||||
| 784 | S | 33 | Very low | 30.8 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | trans | 69.1 | 142.9 | 161.1 | 71.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 785 | E | 33 | Very low | 31 | Very low | 172 Ų | 172 | 136 Ų | 136 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | cis | -158.9 | 138.4 | -10.6 | -118.9 | 175.1 | 157.5 | 0 | 0 | 111.7 | ||||
| 786 | Y | 29.4 | Very low | 31.2 | Very low | 216 Ų | 216 | 137.8 Ų | 137.8 | 85% | 0.847 | 75% | 0.751 | S | S | * | * | trans | 47.4 | 143.1 | 149 | -91.3 | -119.7 | 0 | 0 | 0 | 122.9 | ||||
| 787 | E | 34.4 | Very low | 31.3 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | cis | 149.5 | 151.8 | -22.6 | -92.6 | -75.2 | -106.8 | 0 | 0 | 107.1 | ||||
| 788 | D | 29.2 | Very low | 31.5 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 57% | 0.572 | 76% | 0.756 | S | S | * | * | cis | -150.3 | 170.9 | -16.1 | 168.9 | 38.9 | 0 | 0 | 0 | 105.7 | ||||
| 789 | Y | 31.2 | Very low | 31.5 | Very low | 202 Ų | 202 | 143.7 Ų | 143.7 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | 177.4 | 127.6 | 125.5 | -114.2 | -93.7 | 0 | 0 | 0 | 114.5 | |||||
| 790 | T | 31.7 | Very low | 31.2 | Very low | 105 Ų | 105 | 145.2 Ų | 145.2 | 64% | 0.644 | 76% | 0.764 | S | S | * | * | trans | 73.5 | 85.6 | 155.1 | 31.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 791 | N | 28.9 | Very low | 31 | Very low | 146 Ų | 146 | 146.9 Ų | 146.9 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | 20.9 | 121.9 | 112 | -83.3 | -65.7 | 0 | 0 | 0 | 119.2 | |||||
| 792 | L | 30 | Very low | 30.9 | Very low | 170 Ų | 170 | 150.8 Ų | 150.8 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | -178.4 | 126.9 | 106 | -99.8 | 167.4 | 0 | 0 | 0 | 112.9 | |||||
| 793 | C | 27.9 | Very low | 31.2 | Very low | 124 Ų | 124 | 153.2 Ų | 153.2 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | -67.4 | 144.3 | 173.6 | -65.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 794 | R | 28 | Very low | 31.4 | Very low | 243 Ų | 243 | 153.7 Ų | 153.7 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | trans | -128.1 | 135 | 164.6 | -104.3 | -178.7 | 170.6 | 138.9 | 0.1 | 110.6 | ||||
| 795 | P | 34.5 | Very low | 31.5 | Very low | 110 Ų | 110 | 157.4 Ų | 157.4 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 160.5 | -175.4 | 31.2 | -36.3 | 0 | 0 | 0 | 112.5 | R797 | P795-R797 PolarHBondContact O-N 3.21Š|
| 796 | P | 33.3 | Very low | 31.4 | Very low | 124 Ų | 124 | 158.4 Ų | 158.4 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -59 | 134.9 | 168.4 | 26.6 | -34.4 | 0 | 0 | 0 | 110.2 | ||
| 797 | R | 30.3 | Very low | 32 | Very low | 237 Ų | 237 | 153.7 Ų | 153.7 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 133.5 | -179.6 | -64.9 | 178.6 | 178.9 | 177 | -1 | 110.1 | P795 | P795-R797 PolarHBondContact O-N 3.21Š|
| 798 | P | 32.3 | Very low | 31.9 | Very low | 115 Ų | 115 | 152.3 Ų | 152.3 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 139.4 | 170.2 | 28.1 | -33.7 | 0 | 0 | 0 | 109.9 | V800 | P798-V800 PolarHBondContact O-N 3.11Å; P798-V800 VanDerWaalsContact O-N 3.16Å |
| 799 | V | 31.8 | Very low | 32.1 | Very low | 122 Ų | 122 | 154.8 Ų | 154.8 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | trans | -72.7 | 107.4 | 171.7 | 176.5 | 0 | 0 | 0 | 0 | 107.9 | F801 | V799-F801 PolarHBondContact O-N 2.56Š| ||
| 800 | V | 27.6 | Very low | 32.3 | Very low | 129 Ų | 129 | 155.3 Ų | 155.3 | 78% | 0.782 | 83% | 0.825 | S | S | * | * | trans | -67.7 | 102 | 170.7 | 179 | 0 | 0 | 0 | 0 | 108 | P798 K802 | P798-V800 PolarHBondContact O-N 3.11Å; P798-V800 VanDerWaalsContact O-N 3.16Å; V800-K802 PolarHBondContact O-N 3.15Å | ||
| 801 | F | 29.1 | Very low | 32.3 | Very low | 172 Ų | 172 | 157.9 Ų | 157.9 | 75% | 0.754 | 83% | 0.834 | S | S | * | * | trans | -60.7 | 128.1 | 160.3 | -82 | -94.3 | 0 | 0 | 0 | 107.7 | V799 D803 | V799-F801 PolarHBondContact O-N 2.56Å; F801-D803 PolarHBondContact O-N 3.48Å | ||
| 802 | K | 29.7 | Very low | 32.5 | Very low | 185 Ų | 185 | 158.5 Ų | 158.5 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -90.1 | 105.5 | 176.9 | -168.6 | 173.3 | -177.8 | 179.9 | 0 | 108.3 | V800 D804 | V800-K802 PolarHBondContact O-N 3.15Å; K802-D804 PolarHBondContact O-N 2.82Å | ||
| 803 | D | 38.9 | Very low | 32.6 | Very low | 150 Ų | 150 | 157.8 Ų | 157.8 | 80% | 0.802 | 83% | 0.833 | S | S | * | * | trans | -63.9 | 103.4 | -178.7 | -65.8 | -58.7 | 0 | 0 | 0 | 111.8 | F801 | F801-D803 PolarHBondContact O-N 3.48Š| ||
| 804 | D | 36.3 | Very low | 32.9 | Very low | 144 Ų | 144 | 159.8 Ų | 159.8 | 77% | 0.77 | 83% | 0.833 | S | S | * | * | trans | -153.2 | 37.2 | 168.4 | -105.4 | -39 | 0 | 0 | 0 | 111.1 | K802 | K802-D804 PolarHBondContact O-N 2.82Š| ||
| 805 | L | 35.1 | Very low | 33.2 | Very low | 173 Ų | 173 | 154.6 Ų | 154.6 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | trans | -116.9 | 73.8 | 176 | -89.5 | 163 | 0 | 0 | 0 | 110.8 | P807 | L805-P807 WeakPolarHBondContact O-CD 3.28Š| ||
| 806 | K | 30.7 | Very low | 33.2 | Very low | 193 Ų | 193 | 157.6 Ų | 157.6 | 84% | 0.839 | 84% | 0.835 | S | S | * | * | trans | -67 | 124.6 | 165.7 | -74.9 | -175.9 | 177.1 | 178.3 | 0 | 109.7 | ||||
| 807 | P | 41.5 | Very low | 33.1 | Very low | 118 Ų | 118 | 160 Ų | 160 | 77% | 0.766 | 84% | 0.838 | S | S | * | * | trans | -80.9 | 127.2 | 172.6 | 31.8 | -32 | 0 | 0 | 0 | 110.5 | L805 | L805-P807 WeakPolarHBondContact O-CD 3.28Š| ||
| 808 | T | 32.4 | Very low | 33.4 | Very low | 130 Ų | 130 | 154.1 Ų | 154.1 | 80% | 0.798 | 83% | 0.833 | S | S | * | * | trans | -125.9 | 77.4 | 168.7 | 52.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 809 | L | 33.9 | Very low | 33.5 | Very low | 159 Ų | 159 | 157.3 Ų | 157.3 | 83% | 0.832 | 84% | 0.84 | S | S | * | * | trans | 38.6 | 115.7 | 137.6 | -70.3 | 157.6 | 0 | 0 | 0 | 119.9 | ||||
| 810 | V | 34.7 | Very low | 33.6 | Very low | 213 Ų | 213 | 160.5 Ų | 160.5 | 100% | 1.291 | 85% | 0.85 | S | S | * | * | trans | 60.3 | 0 | 148.3 | -163.8 | 0 | 0 | 0 | 0 | 117 |
Retrieved 810 of 810 residues in 209.2 ms
(Link to these results)