| 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 | 38.1 | Very low | 49.2 | Very low | 249 Ų | 249 | 165.8 Ų | 165.8 | 100% | 1.227 | 86% | 0.857 | S | S | * | * | 0 | 135 | 0 | -57.3 | 176.8 | -169.9 | 0 | 0 | 108 | |||||
| 2 | S | 37.9 | Very low | 51.3 | Low | 115 Ų | 115 | 157.8 Ų | 157.8 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -82.1 | 137.5 | 174.7 | 40.8 | 0 | 0 | 0 | 0 | 110.8 | L4 | S2-L4 PolarHBondContact O-N 2.99Š| ||
| 3 | K | 44.2 | Very low | 53 | Low | 209 Ų | 209 | 154 Ų | 154 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | -70.4 | 118.6 | 169 | -88.3 | -176.1 | 172 | 179.8 | 0 | 108.9 | S5 | K3-S5 PolarHBondContact O-N 2.57Š| ||
| 4 | L | 43.8 | Very low | 54.5 | Low | 158 Ų | 158 | 149.9 Ų | 149.9 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | -67.7 | 96.3 | 168.8 | -89.1 | 156.1 | 0 | 0 | 0 | 109.4 | S2 F6 | S2-L4 PolarHBondContact O-N 2.99Å; L4-F6 PolarHBondContact O-N 3.03Å | ||
| 5 | S | 45.2 | Very low | 56.2 | Low | 105 Ų | 105 | 148.5 Ų | 148.5 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -78.5 | 104 | 173.6 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | K3 R7 | K3-S5 PolarHBondContact O-N 2.57Å; S5-R7 PolarHBondContact O-N 3.07Å | ||
| 6 | F | 48.6 | Very low | 56.9 | Low | 190 Ų | 190 | 146.8 Ų | 146.8 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | trans | -71.5 | 74.7 | 165.4 | -88.1 | -92.1 | 0 | 0 | 0 | 109.9 | L4 A8 | L4-F6 PolarHBondContact O-N 3.03Å; F6-A8 PolarHBondContact O-N 2.76Å | ||
| 7 | R | 49 | Very low | 57.7 | Low | 219 Ų | 219 | 145.6 Ų | 145.6 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -79.7 | 114.4 | 164.1 | -166.3 | 175.6 | -168.4 | 174.4 | 3.9 | 107.5 | S5 R9 | S5-R7 PolarHBondContact O-N 3.07Å; R7-R9 PolarHBondContact O-N 2.73Å; R7-R9 VanDerWaalsContact O-N 3.1Å | ||
| 8 | A | 51.4 | Low | 58.5 | Low | 95 Ų | 95 | 142.6 Ų | 142.6 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 119.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | F6 | F6-A8 PolarHBondContact O-N 2.76Š|
| 9 | R | 61.3 | Low | 59.1 | Low | 238 Ų | 238 | 142.3 Ų | 142.3 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 136.9 | 170 | -62.5 | -171.6 | -175.5 | -159.4 | 2.9 | 106.8 | R7 | R7-R9 PolarHBondContact O-N 2.73Å; R7-R9 VanDerWaalsContact O-N 3.1Å |
| 10 | A | 61.1 | Low | 59.9 | Low | 96 Ų | 96 | 141.6 Ų | 141.6 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 144.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | D12 | A10-D12 PolarHBondContact O-N 2.85Š|
| 11 | L | 60.3 | Low | 60.4 | Low | 150 Ų | 150 | 142.6 Ų | 142.6 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 120.7 | 178.5 | -70.5 | 172.8 | 0 | 0 | 0 | 109.3 | A13 | L11-A13 PolarHBondContact O-N 3.44Š|
| 12 | D | 75.4 | Confident | 61.7 | Low | 69 Ų | 69 | 135.1 Ų | 135.1 | 37% | 0.369 | 73% | 0.732 | S | S | . | * | trans | -81 | 100.2 | -179.4 | -177.3 | -15.2 | 0 | 0 | 0 | 108.8 | A10 S14 K15 | A10-D12 PolarHBondContact O-N 2.85Å; D12-S14 PolarHBondContact O-N 3.11Å; D12-S14 WeakPolarHBondContact OD1-CB 3.13Å; D12-S14 PolarHBondContact OD1-N 3.46Å; D12-S14 PolarHBondContact OD1-OG 2.89Å; D12-K15 HydrophobicContact CB-CB 4.38Å; D12-K15 HydrophobicContact CB-CD 4.2Å; D12-K15 HydrophobicContact CB-CG 4.28Å; D12-K15 PolarHBondContact O-N 3.19Å; D12-K15 IonicContact OD2-NZ 2.81Å; D12-K15 PolarHBondContact OD2-NZ 2.83Å | ||
| 13 | A | 72.8 | Confident | 63.3 | Low | 109 Ų | 109 | 135.5 Ų | 135.5 | 90% | 0.901 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -13.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L11 | L11-A13 PolarHBondContact O-N 3.44Š|
| 14 | S | 74.4 | Confident | 64.4 | Low | 96 Ų | 96 | 129.7 Ų | 129.7 | 67% | 0.671 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -13.5 | 172.7 | 75.6 | 0 | 0 | 0 | 0 | 113.7 | D12 | D12-S14 PolarHBondContact O-N 3.11Å; D12-S14 WeakPolarHBondContact OD1-CB 3.13Å; D12-S14 PolarHBondContact OD1-N 3.46Å; D12-S14 PolarHBondContact OD1-OG 2.89Å |
| 15 | K | 80.3 | Confident | 65.4 | Low | 130 Ų | 130 | 126.8 Ų | 126.8 | 57% | 0.565 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -99.3 | 120.5 | 178.8 | -71.5 | -178 | 175 | 58.8 | 0 | 110.5 | D12 L17 | D12-K15 HydrophobicContact CB-CB 4.38Å; D12-K15 HydrophobicContact CB-CD 4.2Å; D12-K15 HydrophobicContact CB-CG 4.28Å; D12-K15 PolarHBondContact O-N 3.19Å; D12-K15 IonicContact OD2-NZ 2.81Å; D12-K15 PolarHBondContact OD2-NZ 2.83Å; K15-L17 PolarHBondContact O-N 3.05Å |
| 16 | P | 66.4 | Low | 66.3 | Low | 121 Ų | 121 | 125.4 Ų | 125.4 | 79% | 0.786 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 129.4 | 171.3 | 27.7 | -33.2 | 0 | 0 | 0 | 109.5 | ||
| 17 | L | 70.5 | Confident | 66.7 | Low | 126 Ų | 126 | 121.9 Ų | 121.9 | 66% | 0.66 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 132.9 | 171.6 | -85.4 | 76.5 | 0 | 0 | 0 | 109.2 | K15 V19 | K15-L17 PolarHBondContact O-N 3.05Å; L17-V19 PolarHBondContact O-N 3.35Å |
| 18 | P | 72.3 | Confident | 67.1 | Low | 92 Ų | 92 | 118 Ų | 118 | 60% | 0.597 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 125 | 170.4 | 28.2 | -33 | 0 | 0 | 0 | 109.7 | F20 | P18-F20 HydrophobicContact CB-CE2 3.84Å; P18-F20 HydrophobicContact CB-CZ 3.9Å; P18-F20 HydrophobicContact CG-CE2 3.7Å; P18-F20 HydrophobicContact CG-CZ 3.97Å |
| 19 | V | 71 | Confident | 67.4 | Low | 137 Ų | 137 | 120.1 Ų | 120.1 | 83% | 0.83 | 65% | 0.651 | S | S | * | * | trans | -95.6 | 105.7 | 173.2 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | L17 | L17-V19 PolarHBondContact O-N 3.35Š| ||
| 20 | F | 73.9 | Confident | 66.9 | Low | 128 Ų | 128 | 115.5 Ų | 115.5 | 56% | 0.561 | 64% | 0.64 | S | S | * | * | trans | -84.4 | 141.8 | 174.7 | -59.7 | -82.6 | 0 | 0 | 0 | 110.5 | P18 D24 L25 | P18-F20 HydrophobicContact CB-CE2 3.84Å; P18-F20 HydrophobicContact CB-CZ 3.9Å; P18-F20 HydrophobicContact CG-CE2 3.7Å; P18-F20 HydrophobicContact CG-CZ 3.97Å; F20-D24 HydrophobicContact CB-CB 4.18Å; F20-D24 HydrophobicContact CD1-CB 4.09Å; F20-L25 HydrophobicContact CB-CD2 3.97Å; F20-L25 HydrophobicContact CB-CG 4.44Å; F20-L25 HydrophobicContact CG-CD2 4.41Å | ||
| 21 | R | 70 | Confident | 66.4 | Low | 163 Ų | 163 | 118.7 Ų | 118.7 | 62% | 0.615 | 63% | 0.633 | S | S | * | * | trans | -87.5 | 169.8 | 167.6 | -54.7 | -178.5 | 173.8 | -155.7 | -2.9 | 110.3 | E23 D24 L25 | R21-E23 VanDerWaalsContact CB-CD 3.43Å; R21-E23 HydrophobicContact CB-CG 3.96Å; R21-E23 WeakPolarHBondContact CB-OE2 3.14Å; R21-E23 WeakPolarHBondContact CD-OE1 3.39Å; R21-E23 IonicContact NH1-OE1 3.88Å; R21-E23 PolarHBondContact O-N 3.38Å; R21-D24 VanDerWaalsContact CB-OD2 3.23Å; R21-D24 WeakPolarHBondContact CB-OD2 3.46Å; R21-D24 WeakPolarHBondContact CG-OD2 3.17Å; R21-D24 PolarHBondContact N-OD2 3.45Å; R21-D24 PolarHBondContact O-N 2.9Å; R21-L25 PolarHBondContact O-N 3.2Å | ||
| 22 | C | 67.2 | Low | 66 | Low | 92 Ų | 92 | 115.3 Ų | 115.3 | 62% | 0.622 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -57.7 | -37.6 | 177 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | D24 R732 | C22-D24 VanDerWaalsContact C-N 3.32Å; C22-R732 PolarHBondContact SG-NH2 2.87Å |
| 23 | E | 70.2 | Confident | 64.8 | Low | 122 Ų | 122 | 116 Ų | 116 | 57% | 0.57 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -73.8 | -12.8 | 175.9 | 58.1 | -91.3 | -151.7 | 0 | 0 | 115.1 | R21 | R21-E23 VanDerWaalsContact CB-CD 3.43Å; R21-E23 HydrophobicContact CB-CG 3.96Å; R21-E23 WeakPolarHBondContact CB-OE2 3.14Å; R21-E23 WeakPolarHBondContact CD-OE1 3.39Å; R21-E23 IonicContact NH1-OE1 3.88Å; R21-E23 PolarHBondContact O-N 3.38Å |
| 24 | D | 68.1 | Low | 63.4 | Low | 87 Ų | 87 | 115.7 Ų | 115.7 | 47% | 0.465 | 62% | 0.619 | S | S | . | * | G | 310 helix | trans | -96.2 | -7.7 | 177.5 | -55.8 | -48.6 | 0 | 0 | 0 | 113 | F20 R21 C22 | F20-D24 HydrophobicContact CB-CB 4.18Å; F20-D24 HydrophobicContact CD1-CB 4.09Å; R21-D24 VanDerWaalsContact CB-OD2 3.23Å; R21-D24 WeakPolarHBondContact CB-OD2 3.46Å; R21-D24 WeakPolarHBondContact CG-OD2 3.17Å; R21-D24 PolarHBondContact N-OD2 3.45Å; R21-D24 PolarHBondContact O-N 2.9Å; C22-D24 VanDerWaalsContact C-N 3.32Å |
| 25 | L | 64.8 | Low | 62 | Low | 97 Ų | 97 | 118.5 Ų | 118.5 | 51% | 0.508 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -85.3 | 130.2 | 179.1 | -65.8 | 172.5 | 0 | 0 | 0 | 109.8 | F20 R21 | F20-L25 HydrophobicContact CB-CD2 3.97Å; F20-L25 HydrophobicContact CB-CG 4.44Å; F20-L25 HydrophobicContact CG-CD2 4.41Å; R21-L25 PolarHBondContact O-N 3.2Å |
| 26 | P | 64.4 | Low | 60.4 | Low | 77 Ų | 77 | 122.4 Ų | 122.4 | 50% | 0.5 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 147.4 | 171.9 | 28.7 | -34.4 | 0 | 0 | 0 | 110.1 | L28 Y31 | P26-L28 PolarHBondContact O-N 2.95Å; P26-Y31 HydrophobicContact CG-CE2 4.28Å |
| 27 | D | 56.8 | Low | 59.5 | Low | 115 Ų | 115 | 121.8 Ų | 121.8 | 62% | 0.615 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 125.1 | -176.3 | -168.3 | -22.9 | 0 | 0 | 0 | 110.6 | H29 E30 | D27-H29 PolarHBondContact O-N 2.8Å; D27-H29 PolarHBondContact OD1-N 3.05Å; D27-H29 VanDerWaalsContact OD1-N 3.11Å; D27-E30 PolarHBondContact O-N 2.84Å; D27-E30 VanDerWaalsContact O-N 3.08Å |
| 28 | L | 57.4 | Low | 58.3 | Low | 137 Ų | 137 | 121 Ų | 121 | 72% | 0.717 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -56.3 | -22.8 | -177.6 | -104.7 | 68.3 | 0 | 0 | 0 | 112.6 | P26 E30 Y31 A32 | P26-L28 PolarHBondContact O-N 2.95Å; L28-E30 VanDerWaalsContact C-N 3.32Å; L28-E30 PolarHBondContact O-N 2.94Å; L28-Y31 PolarHBondContact O-N 3.26Å; L28-A32 PolarHBondContact O-N 3.36Å |
| 29 | H | 55.9 | Low | 57.2 | Low | 140 Ų | 140 | 121.8 Ų | 121.8 | 65% | 0.648 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -61.5 | -35.6 | 177.5 | -132.4 | 94.4 | 0 | 0 | 0 | 113.5 | D27 | D27-H29 PolarHBondContact O-N 2.8Å; D27-H29 PolarHBondContact OD1-N 3.05Å; D27-H29 VanDerWaalsContact OD1-N 3.11Å |
| 30 | E | 52 | Low | 56 | Low | 142 Ų | 142 | 123.6 Ų | 123.6 | 66% | 0.664 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.4 | -40.7 | 179.3 | -67.6 | -162.3 | 131.1 | 0 | 0 | 111.5 | D27 L28 S33 | D27-E30 PolarHBondContact O-N 2.84Å; D27-E30 VanDerWaalsContact O-N 3.08Å; L28-E30 VanDerWaalsContact C-N 3.32Å; L28-E30 PolarHBondContact O-N 2.94Å; E30-S33 PolarHBondContact O-N 3.32Å; E30-S33 PolarHBondContact O-OG 3.25Å |
| 31 | Y | 50.1 | Low | 54.8 | Low | 163 Ų | 163 | 124.2 Ų | 124.2 | 64% | 0.639 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.4 | -32.8 | 179.4 | -95.3 | -85.2 | 0 | 0 | 0 | 113.7 | P26 L28 S33 I34 | P26-Y31 HydrophobicContact CG-CE2 4.28Å; L28-Y31 PolarHBondContact O-N 3.26Å; Y31-S33 PolarHBondContact O-N 3.5Å; Y31-S33 VanDerWaalsContact O-N 3.17Å; Y31-I34 HydrophobicContact CD1-CD1 4.19Å; Y31-I34 HydrophobicContact CE1-CD1 4.36Å; Y31-I34 PolarHBondContact O-N 3.5Å; Y31-I34 VanDerWaalsContact O-N 3.15Å |
| 32 | A | 51.4 | Low | 54 | Low | 79 Ų | 79 | 121.8 Ų | 121.8 | 65% | 0.653 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -60.7 | -24.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | L28 | L28-A32 PolarHBondContact O-N 3.36Å |
| 33 | S | 50.1 | Low | 53.7 | Low | 84 Ų | 84 | 121.8 Ų | 121.8 | 59% | 0.587 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -18.5 | 179.2 | 74.4 | 0 | 0 | 0 | 0 | 114.2 | E30 Y31 N35 | E30-S33 PolarHBondContact O-N 3.32Å; E30-S33 PolarHBondContact O-OG 3.25Å; Y31-S33 PolarHBondContact O-N 3.5Å; Y31-S33 VanDerWaalsContact O-N 3.17Å; S33-N35 VanDerWaalsContact C-N 3.33Å; S33-N35 PolarHBondContact O-N 3.27Å; S33-N35 PolarHBondContact O-ND2 2.92Å |
| 34 | I | 45 | Very low | 53.2 | Low | 102 Ų | 102 | 120 Ų | 120 | 52% | 0.523 | 67% | 0.67 | S | S | . | * | trans | -81.2 | 78.4 | -173 | -51.4 | -179.9 | 0 | 0 | 0 | 110.4 | Y31 R36 | Y31-I34 HydrophobicContact CD1-CD1 4.19Å; Y31-I34 HydrophobicContact CE1-CD1 4.36Å; Y31-I34 PolarHBondContact O-N 3.5Å; Y31-I34 VanDerWaalsContact O-N 3.15Å; I34-R36 PolarHBondContact O-N 2.94Å | ||
| 35 | N | 45.1 | Very low | 53 | Low | 154 Ų | 154 | 118.6 Ų | 118.6 | 82% | 0.824 | 66% | 0.662 | S | S | * | * | trans | -70.5 | 62.2 | 176.6 | -80.8 | -81.3 | 0 | 0 | 0 | 113.2 | S33 | S33-N35 VanDerWaalsContact C-N 3.33Å; S33-N35 PolarHBondContact O-N 3.27Å; S33-N35 PolarHBondContact O-ND2 2.92Å | ||
| 36 | R | 46.8 | Very low | 53 | Low | 213 Ų | 213 | 121.1 Ų | 121.1 | 80% | 0.804 | 67% | 0.671 | S | S | * | * | trans | -102 | 129.5 | 155.5 | -78.3 | -172.2 | 168.3 | -166 | -2.4 | 108 | I34 V38 | I34-R36 PolarHBondContact O-N 2.94Å; R36-V38 VanDerWaalsContact C-N 3.33Å; R36-V38 PolarHBondContact O-N 3.42Å | ||
| 37 | A | 46.2 | Very low | 52.9 | Low | 107 Ų | 107 | 125.9 Ų | 125.9 | 88% | 0.884 | 68% | 0.684 | S | S | * | * | trans | -63.6 | 91.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P39 | A37-P39 WeakPolarHBondContact O-CD 3.22Š| ||
| 38 | V | 46.4 | Very low | 53.3 | Low | 111 Ų | 111 | 128.1 Ų | 128.1 | 67% | 0.673 | 69% | 0.69 | S | S | * | * | trans | -65.1 | 122.4 | 167 | -179.9 | 0 | 0 | 0 | 0 | 106.7 | R36 Q40 | R36-V38 VanDerWaalsContact C-N 3.33Å; R36-V38 PolarHBondContact O-N 3.42Å; V38-Q40 PolarHBondContact O-N 2.94Å | ||
| 39 | P | 47.7 | Very low | 53.5 | Low | 107 Ų | 107 | 126.7 Ų | 126.7 | 70% | 0.695 | 68% | 0.68 | S | S | * | * | trans | -56.1 | 126.2 | 171.7 | -22.4 | 33.7 | 0 | 0 | 0 | 108.5 | A37 M41 | A37-P39 WeakPolarHBondContact O-CD 3.22Å; P39-M41 PolarHBondContact O-N 3.48Å | ||
| 40 | Q | 47.2 | Very low | 53.8 | Low | 175 Ų | 175 | 123.5 Ų | 123.5 | 82% | 0.818 | 67% | 0.665 | S | S | * | * | trans | -50.9 | 109.8 | -172 | -174.3 | 174.8 | -3.1 | 0 | 0 | 110.2 | V38 | V38-Q40 PolarHBondContact O-N 2.94Š| ||
| 41 | M | 49 | Very low | 54.5 | Low | 142 Ų | 142 | 120.1 Ų | 120.1 | 70% | 0.7 | 66% | 0.657 | S | S | * | * | trans | -63.7 | 134.8 | -179.9 | -76 | -69.2 | -66.8 | 0 | 0 | 108.5 | P39 T43 | P39-M41 PolarHBondContact O-N 3.48Å; M41-T43 PolarHBondContact O-N 2.93Å | ||
| 42 | P | 53 | Low | 55.9 | Low | 112 Ų | 112 | 117 Ų | 117 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | trans | -54.9 | 133.8 | 170.7 | -23.7 | 33.8 | 0 | 0 | 0 | 109.5 | G44 | P42-G44 PolarHBondContact O-N 2.89Š| ||
| 43 | T | 59.9 | Low | 56.9 | Low | 92 Ų | 92 | 118.7 Ų | 118.7 | 56% | 0.564 | 64% | 0.643 | S | S | * | * | trans | -69 | -2.6 | -164.5 | -17.5 | 0 | 0 | 0 | 0 | 114.3 | M41 M45 E50 | M41-T43 PolarHBondContact O-N 2.93Å; T43-M45 PolarHBondContact O-N 3.32Å; T43-E50 VanDerWaalsContact CB-OE1 3.26Å; T43-E50 WeakPolarHBondContact CB-OE1 3.44Å; T43-E50 PolarHBondContact OG1-OE1 2.85Å | ||
| 44 | G | 59.3 | Low | 57.8 | Low | 84 Ų | 84 | 120.7 Ų | 120.7 | 87% | 0.866 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 73.7 | 8.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P42 | P42-G44 PolarHBondContact O-N 2.89Š|
| 45 | M | 63.6 | Low | 59 | Low | 58 Ų | 58 | 118.5 Ų | 118.5 | 29% | 0.286 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -116.2 | 158.3 | -165.1 | -155.5 | 177.5 | 77.8 | 0 | 0 | 109.9 | T43 E49 E50 L55 | T43-M45 PolarHBondContact O-N 3.32Å; M45-E49 HydrophobicContact CE-CB 3.81Å; M45-E49 HydrophobicContact CE-CG 3.82Å; M45-E49 HydrophobicContact CG-CB 4.13Å; M45-E49 HydrophobicContact CG-CG 4.04Å; M45-E49 WeakPolarHBondContact CG-OE2 3.37Å; M45-E49 HydrophobicContact SD-CB 4.46Å; M45-E49 HydrophobicContact SD-CG 4.01Å; M45-E50 HydrophobicContact CB-CG 4.27Å; M45-E50 HydrophobicContact CE-CB 4.14Å; M45-E50 HydrophobicContact CE-CG 3.58Å; M45-E50 VanDerWaalsContact CE-N 3.26Å; M45-L55 HydrophobicContact CE-CD2 3.18Å; M45-L55 HydrophobicContact SD-CD2 3.81Å |
| 46 | E | 64.9 | Low | 60.3 | Low | 150 Ų | 150 | 116 Ų | 116 | 70% | 0.701 | 62% | 0.615 | S | S | * | * | trans | -75.7 | 144.9 | -177 | -66.9 | -155.6 | 161.3 | 0 | 0 | 112 | E48 E49 E50 | E46-E48 PolarHBondContact O-N 3.14Å; E46-E48 VanDerWaalsContact O-N 3.08Å; E46-E49 WeakPolarHBondContact O-CA 3.41Å; E46-E49 VanDerWaalsContact O-CB 3.28Å; E46-E49 WeakPolarHBondContact O-CB 3.49Å; E46-E49 PolarHBondContact O-N 3.17Å; E46-E50 PolarHBondContact O-N 2.85Å | ||
| 47 | K | 63.5 | Low | 61.6 | Low | 177 Ų | 177 | 113.5 Ų | 113.5 | 77% | 0.77 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -24 | -171.3 | -174 | 178.4 | 175.4 | -173 | 0 | 114.1 | S51 | K47-S51 PolarHBondContact O-N 3.34Š|
| 48 | E | 64.3 | Low | 62.6 | Low | 162 Ų | 162 | 110.5 Ų | 110.5 | 76% | 0.757 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -39 | 174.4 | -170.3 | 157.6 | -138.4 | 0 | 0 | 111.2 | E46 S51 E52 | E46-E48 PolarHBondContact O-N 3.14Å; E46-E48 VanDerWaalsContact O-N 3.08Å; E48-S51 WeakPolarHBondContact O-CA 3.37Å; E48-S51 WeakPolarHBondContact O-CB 3.41Å; E48-S51 PolarHBondContact O-N 2.82Å; E48-S51 PolarHBondContact O-OG 3.25Å; E48-E52 PolarHBondContact O-N 2.97Å |
| 49 | E | 62.1 | Low | 63.7 | Low | 107 Ų | 107 | 108.4 Ų | 108.4 | 50% | 0.5 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -66.4 | -41 | 172.5 | -156 | 174.9 | -168.9 | 0 | 0 | 111 | M45 E46 S51 E52 | M45-E49 HydrophobicContact CE-CB 3.81Å; M45-E49 HydrophobicContact CE-CG 3.82Å; M45-E49 HydrophobicContact CG-CB 4.13Å; M45-E49 HydrophobicContact CG-CG 4.04Å; M45-E49 WeakPolarHBondContact CG-OE2 3.37Å; M45-E49 HydrophobicContact SD-CB 4.46Å; M45-E49 HydrophobicContact SD-CG 4.01Å; E46-E49 WeakPolarHBondContact O-CA 3.41Å; E46-E49 VanDerWaalsContact O-CB 3.28Å; E46-E49 WeakPolarHBondContact O-CB 3.49Å; E46-E49 PolarHBondContact O-N 3.17Å; E49-S51 PolarHBondContact O-N 3.39Å; E49-S51 VanDerWaalsContact O-N 3.09Å; E49-E52 PolarHBondContact O-N 2.93Å |
| 50 | E | 62.8 | Low | 64.7 | Low | 73 Ų | 73 | 106.1 Ų | 106.1 | 34% | 0.341 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -61.7 | -15.8 | 170.7 | -66.7 | -171.4 | 149.6 | 0 | 0 | 112.9 | T43 M45 E46 Q56 | T43-E50 VanDerWaalsContact CB-OE1 3.26Å; T43-E50 WeakPolarHBondContact CB-OE1 3.44Å; T43-E50 PolarHBondContact OG1-OE1 2.85Å; M45-E50 HydrophobicContact CB-CG 4.27Å; M45-E50 HydrophobicContact CE-CB 4.14Å; M45-E50 HydrophobicContact CE-CG 3.58Å; M45-E50 VanDerWaalsContact CE-N 3.26Å; E46-E50 PolarHBondContact O-N 2.85Å; E50-Q56 PolarHBondContact O-NE2 3.24Å |
| 51 | S | 67.1 | Low | 65.6 | Low | 70 Ų | 70 | 98.7 Ų | 98.7 | 49% | 0.49 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -94.4 | -4.3 | 175.5 | 83.5 | 0 | 0 | 0 | 0 | 114.3 | K47 E48 E49 H53 | K47-S51 PolarHBondContact O-N 3.34Å; E48-S51 WeakPolarHBondContact O-CA 3.37Å; E48-S51 WeakPolarHBondContact O-CB 3.41Å; E48-S51 PolarHBondContact O-N 2.82Å; E48-S51 PolarHBondContact O-OG 3.25Å; E49-S51 PolarHBondContact O-N 3.39Å; E49-S51 VanDerWaalsContact O-N 3.09Å; S51-H53 PolarHBondContact O-N 3.01Å |
| 52 | E | 78 | Confident | 66.3 | Low | 97 Ų | 97 | 98.7 Ų | 98.7 | 45% | 0.453 | 52% | 0.518 | S | S | . | . | trans | -67.2 | 121.8 | -179.1 | -161.3 | -166.4 | 152.5 | 0 | 0 | 111.3 | E48 E49 H54 L55 Q56 | E48-E52 PolarHBondContact O-N 2.97Å; E49-E52 PolarHBondContact O-N 2.93Å; E52-H54 VanDerWaalsContact C-N 3.27Å; E52-H54 PolarHBondContact O-N 3.19Å; E52-H54 IonicContact OE1-CE1 2.64Å; E52-H54 IonicContact OE1-CG 2.99Å; E52-H54 IonicContact OE1-ND1 3.53Å; E52-H54 PolarHBondContact OE1-ND1 2.91Å; E52-L55 HydrophobicContact CB-CB 4.35Å; E52-L55 PolarHBondContact O-N 3.4Å; E52-L55 VanDerWaalsContact O-N 3.09Å; E52-Q56 PolarHBondContact O-N 3.2Å | ||
| 53 | H | 72.6 | Confident | 66.9 | Low | 115 Ų | 115 | 100.3 Ų | 100.3 | 53% | 0.532 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -54 | -37.3 | -179.2 | 171.2 | -107.4 | 0 | 0 | 0 | 113.8 | S51 R57 | S51-H53 PolarHBondContact O-N 3.01Å; H53-R57 WeakPolarHBondContact O-CB 3.38Å; H53-R57 PolarHBondContact O-N 3.5Å |
| 54 | H | 69.9 | Low | 67 | Low | 126 Ų | 126 | 101.1 Ų | 101.1 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.6 | -42 | 177.8 | -58.4 | 122.2 | 0 | 0 | 0 | 112.3 | E52 R57 A58 | E52-H54 VanDerWaalsContact C-N 3.27Å; E52-H54 PolarHBondContact O-N 3.19Å; E52-H54 IonicContact OE1-CE1 2.64Å; E52-H54 IonicContact OE1-CG 2.99Å; E52-H54 IonicContact OE1-ND1 3.53Å; E52-H54 PolarHBondContact OE1-ND1 2.91Å; H54-R57 PolarHBondContact O-N 2.9Å; H54-A58 PolarHBondContact O-N 3.49Å |
| 55 | L | 69.6 | Low | 66.9 | Low | 56 Ų | 56 | 104.5 Ų | 104.5 | 29% | 0.293 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.1 | -44.2 | 177.7 | -176.2 | 63.4 | 0 | 0 | 0 | 111.3 | M45 E52 R57 A58 I59 | M45-L55 HydrophobicContact CE-CD2 3.18Å; M45-L55 HydrophobicContact SD-CD2 3.81Å; E52-L55 HydrophobicContact CB-CB 4.35Å; E52-L55 PolarHBondContact O-N 3.4Å; E52-L55 VanDerWaalsContact O-N 3.09Å; L55-R57 VanDerWaalsContact C-N 3.26Å; L55-R57 PolarHBondContact O-N 2.84Å; L55-A58 PolarHBondContact O-N 2.88Å; L55-I59 HydrophobicContact CD1-CD1 4.12Å; L55-I59 HydrophobicContact CD1-CG1 4.33Å; L55-I59 HydrophobicContact CD2-CD1 4.45Å; L55-I59 HydrophobicContact CG-CD1 3.84Å; L55-I59 HydrophobicContact CG-CG1 4.44Å; L55-I59 WeakPolarHBondContact O-CG1 3.45Å; L55-I59 PolarHBondContact O-N 2.7Å |
| 56 | Q | 73.4 | Confident | 66.5 | Low | 101 Ų | 101 | 105 Ų | 105 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60 | -37.8 | 173.6 | -69.3 | -170.6 | -4.6 | 0 | 0 | 112 | E50 E52 S60 | E50-Q56 PolarHBondContact O-NE2 3.24Å; E52-Q56 PolarHBondContact O-N 3.2Å; Q56-S60 VanDerWaalsContact O-CB 3.27Å; Q56-S60 WeakPolarHBondContact O-CB 3.23Å; Q56-S60 PolarHBondContact O-N 2.79Å; Q56-S60 PolarHBondContact O-OG 2.98Å |
| 57 | R | 73.4 | Confident | 66 | Low | 162 Ų | 162 | 105.3 Ų | 105.3 | 61% | 0.611 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.2 | -38.5 | 175.6 | -165 | 174.2 | -163.3 | 168.7 | 6.8 | 112.3 | H53 H54 L55 S60 A61 | H53-R57 WeakPolarHBondContact O-CB 3.38Å; H53-R57 PolarHBondContact O-N 3.5Å; H54-R57 PolarHBondContact O-N 2.9Å; L55-R57 VanDerWaalsContact C-N 3.26Å; L55-R57 PolarHBondContact O-N 2.84Å; R57-S60 PolarHBondContact O-OG 3.46Å; R57-A61 WeakPolarHBondContact O-CB 3.36Å; R57-A61 PolarHBondContact O-N 2.81Å; R57-A61 VanDerWaalsContact O-N 3.09Å |
| 58 | A | 66.6 | Low | 65.5 | Low | 43 Ų | 43 | 104.9 Ų | 104.9 | 36% | 0.355 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65 | -51 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | H54 L55 A61 Q62 | H54-A58 PolarHBondContact O-N 3.49Å; L55-A58 PolarHBondContact O-N 2.88Å; A58-A61 PolarHBondContact O-N 2.99Å; A58-Q62 WeakPolarHBondContact O-CB 3.26Å; A58-Q62 PolarHBondContact O-N 3.32Å |
| 59 | I | 69.7 | Low | 65 | Low | 68 Ų | 68 | 104.6 Ų | 104.6 | 35% | 0.349 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.9 | -49.5 | -179.8 | -67.3 | 168.9 | 0 | 0 | 0 | 111.3 | L55 Q62 Q63 | L55-I59 HydrophobicContact CD1-CD1 4.12Å; L55-I59 HydrophobicContact CD1-CG1 4.33Å; L55-I59 HydrophobicContact CD2-CD1 4.45Å; L55-I59 HydrophobicContact CG-CD1 3.84Å; L55-I59 HydrophobicContact CG-CG1 4.44Å; L55-I59 WeakPolarHBondContact O-CG1 3.45Å; L55-I59 PolarHBondContact O-N 2.7Å; I59-Q62 PolarHBondContact O-N 2.9Å; I59-Q63 WeakPolarHBondContact O-CG 3.29Å; I59-Q63 PolarHBondContact O-N 3.4Å |
| 60 | S | 69.4 | Low | 64.7 | Low | 58 Ų | 58 | 106.4 Ų | 106.4 | 41% | 0.406 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.3 | -40.6 | -179.1 | 55.6 | 0 | 0 | 0 | 0 | 112.3 | Q56 R57 Q63 V64 | Q56-S60 VanDerWaalsContact O-CB 3.27Å; Q56-S60 WeakPolarHBondContact O-CB 3.23Å; Q56-S60 PolarHBondContact O-N 2.79Å; Q56-S60 PolarHBondContact O-OG 2.98Å; R57-S60 PolarHBondContact O-OG 3.46Å; S60-Q63 PolarHBondContact O-N 3.37Å; S60-V64 WeakPolarHBondContact O-CB 3.25Å; S60-V64 VanDerWaalsContact O-CG2 3.28Å; S60-V64 WeakPolarHBondContact O-CG2 3.22Å; S60-V64 PolarHBondContact O-N 2.93Å |
| 61 | A | 65.1 | Low | 64.4 | Low | 20 Ų | 20 | 110.6 Ų | 110.6 | 17% | 0.165 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -69.9 | -35.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | R57 A58 Q63 V64 Y65 M72 | R57-A61 WeakPolarHBondContact O-CB 3.36Å; R57-A61 PolarHBondContact O-N 2.81Å; R57-A61 VanDerWaalsContact O-N 3.09Å; A58-A61 PolarHBondContact O-N 2.99Å; A61-Q63 VanDerWaalsContact C-N 3.34Å; A61-Q63 PolarHBondContact O-N 3.27Å; A61-V64 PolarHBondContact O-N 3.49Å; A61-Y65 HydrophobicContact CB-CD2 4.28Å; A61-Y65 WeakPolarHBondContact O-CB 3.45Å; A61-Y65 WeakPolarHBondContact O-CD2 3.23Å; A61-Y65 PolarHBondContact O-N 3.19Å; A61-M72 HydrophobicContact CB-CE 3.59Å; A61-M72 HydrophobicContact CB-SD 3.35Å; A61-M72 WeakPolarHBondContact CB-SD 3.42Å; A61-M72 VanDerWaalsContact O-CE 3.28Å; A61-M72 WeakPolarHBondContact O-CE 3.37Å |
| 62 | Q | 63.9 | Low | 63.8 | Low | 142 Ų | 142 | 110.7 Ų | 110.7 | 66% | 0.664 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.9 | -39 | 172.9 | -172.1 | 175.9 | 11.6 | 0 | 0 | 111.9 | A58 I59 | A58-Q62 WeakPolarHBondContact O-CB 3.26Å; A58-Q62 PolarHBondContact O-N 3.32Å; I59-Q62 PolarHBondContact O-N 2.9Å |
| 63 | Q | 66.3 | Low | 63.3 | Low | 146 Ų | 146 | 110.8 Ų | 110.8 | 68% | 0.682 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.8 | -34.6 | 173.1 | -72.6 | 175.9 | -2.8 | 0 | 0 | 113.2 | I59 S60 A61 | I59-Q63 WeakPolarHBondContact O-CG 3.29Å; I59-Q63 PolarHBondContact O-N 3.4Å; S60-Q63 PolarHBondContact O-N 3.37Å; A61-Q63 VanDerWaalsContact C-N 3.34Å; A61-Q63 PolarHBondContact O-N 3.27Å |
| 64 | V | 60.7 | Low | 63.3 | Low | 108 Ų | 108 | 112.4 Ų | 112.4 | 66% | 0.655 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -82.7 | -37.1 | -177 | 168.1 | 0 | 0 | 0 | 0 | 113.3 | S60 A61 | S60-V64 WeakPolarHBondContact O-CB 3.25Å; S60-V64 VanDerWaalsContact O-CG2 3.28Å; S60-V64 WeakPolarHBondContact O-CG2 3.22Å; S60-V64 PolarHBondContact O-N 2.93Å; A61-V64 PolarHBondContact O-N 3.49Å |
| 65 | Y | 58.3 | Low | 63.7 | Low | 156 Ų | 156 | 111.9 Ų | 111.9 | 61% | 0.612 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -97.6 | -11.1 | -169.1 | -75.9 | -76.4 | 0 | 0 | 0 | 115.9 | A61 E67 M72 | A61-Y65 HydrophobicContact CB-CD2 4.28Å; A61-Y65 WeakPolarHBondContact O-CB 3.45Å; A61-Y65 WeakPolarHBondContact O-CD2 3.23Å; A61-Y65 PolarHBondContact O-N 3.19Å; Y65-E67 PolarHBondContact O-N 2.96Å; Y65-M72 HydrophobicContact CD2-CE 4.06Å; Y65-M72 HydrophobicContact CG-CE 4.36Å |
| 66 | G | 54.2 | Low | 64.2 | Low | 69 Ų | 69 | 115.1 Ų | 115.1 | 71% | 0.711 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.9 | -42.1 | 158 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||
| 67 | E | 54.7 | Low | 64.7 | Low | 155 Ų | 155 | 115.8 Ų | 115.8 | 72% | 0.724 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.3 | -29.1 | -162.3 | -164.8 | 168 | -147.5 | 0 | 0 | 113.7 | Y65 R69 | Y65-E67 PolarHBondContact O-N 2.96Å; E67-R69 PolarHBondContact O-N 2.75Å |
| 68 | K | 53.5 | Low | 65.1 | Low | 168 Ų | 168 | 117.2 Ų | 117.2 | 73% | 0.73 | 63% | 0.626 | S | S | * | * | trans | -81.8 | 81.7 | 176.5 | -70.6 | -168 | 176.1 | -174 | 0 | 111.6 | ||||
| 69 | R | 54.4 | Low | 65.9 | Low | 157 Ų | 157 | 119.7 Ų | 119.7 | 59% | 0.592 | 65% | 0.646 | S | S | * | * | trans | -68.1 | -37.6 | -173.2 | -61.5 | 179.5 | -174.1 | 84.2 | 4.2 | 113.7 | E67 N71 M72 V73 | E67-R69 PolarHBondContact O-N 2.75Å; R69-N71 VanDerWaalsContact C-N 3.31Å; R69-N71 PolarHBondContact O-N 3.45Å; R69-N71 VanDerWaalsContact O-N 3.15Å; R69-M72 PolarHBondContact O-N 2.81Å; R69-V73 PolarHBondContact O-N 3.2Å | ||
| 70 | D | 56.2 | Low | 66.5 | Low | 145 Ų | 145 | 125.1 Ų | 125.1 | 78% | 0.775 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -34.7 | -163.5 | -49.4 | -19.1 | 0 | 0 | 0 | 114.6 | M72 | D70-M72 PolarHBondContact O-N 2.95Š|
| 71 | N | 55.4 | Low | 66.8 | Low | 160 Ų | 160 | 126.7 Ų | 126.7 | 86% | 0.856 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 4.6 | -178.3 | -68.4 | 2.3 | 0 | 0 | 0 | 113.9 | R69 | R69-N71 VanDerWaalsContact C-N 3.31Å; R69-N71 PolarHBondContact O-N 3.45Å; R69-N71 VanDerWaalsContact O-N 3.15Å |
| 72 | M | 54.2 | Low | 67.3 | Low | 73 Ų | 73 | 133 Ų | 133 | 36% | 0.36 | 71% | 0.712 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -140.1 | 0.1 | -168.9 | -150.5 | 111.6 | 65.9 | 0 | 0 | 114.5 | A61 Y65 R69 D70 | A61-M72 HydrophobicContact CB-CE 3.59Å; A61-M72 HydrophobicContact CB-SD 3.35Å; A61-M72 WeakPolarHBondContact CB-SD 3.42Å; A61-M72 VanDerWaalsContact O-CE 3.28Å; A61-M72 WeakPolarHBondContact O-CE 3.37Å; Y65-M72 HydrophobicContact CD2-CE 4.06Å; Y65-M72 HydrophobicContact CG-CE 4.36Å; R69-M72 PolarHBondContact O-N 2.81Å; D70-M72 PolarHBondContact O-N 2.95Å |
| 73 | V | 68.5 | Low | 68.4 | Low | 99 Ų | 99 | 130.1 Ų | 130.1 | 60% | 0.6 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -68.5 | 132.5 | 171.3 | 168 | 0 | 0 | 0 | 0 | 108.7 | R69 P75 | R69-V73 PolarHBondContact O-N 3.2Å; V73-P75 WeakPolarHBondContact O-CD 3.46Å |
| 74 | I | 71.5 | Confident | 69.4 | Low | 148 Ų | 148 | 128.2 Ų | 128.2 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | trans | -58.6 | 120 | 168.8 | -61.5 | 172.8 | 0 | 0 | 0 | 106.8 | V76 | I74-V76 PolarHBondContact O-N 3.45Š| ||
| 75 | P | 78.3 | Confident | 70.8 | Confident | 116 Ų | 116 | 130.1 Ų | 130.1 | 75% | 0.753 | 71% | 0.706 | S | S | * | * | trans | -66.3 | 104.6 | -174.2 | 25.8 | -33.7 | 0 | 0 | 0 | 109.9 | V73 P77 | V73-P75 WeakPolarHBondContact O-CD 3.46Å; P75-P77 WeakPolarHBondContact O-CD 3.41Å | ||
| 76 | V | 81 | Confident | 72.3 | Confident | 123 Ų | 123 | 128.4 Ų | 128.4 | 75% | 0.745 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -79 | 119.1 | 171.4 | -178 | 0 | 0 | 0 | 0 | 107.2 | I74 E78 | I74-V76 PolarHBondContact O-N 3.45Å; V76-E78 PolarHBondContact O-N 2.93Å |
| 77 | P | 84.3 | Confident | 74 | Confident | 115 Ų | 115 | 132.2 Ų | 132.2 | 75% | 0.747 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 136.9 | 174.8 | -22.1 | 34.2 | 0 | 0 | 0 | 110.7 | P75 A79 | P75-P77 WeakPolarHBondContact O-CD 3.41Å; P77-A79 PolarHBondContact O-N 3.32Å |
| 78 | E | 82.1 | Confident | 75.7 | Confident | 193 Ų | 193 | 129.4 Ų | 129.4 | 90% | 0.902 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 128.3 | 172.8 | -65.6 | -173.6 | 178.1 | 0 | 0 | 109.6 | V76 E80 | V76-E78 PolarHBondContact O-N 2.93Å; E78-E80 PolarHBondContact O-N 2.95Å |
| 79 | A | 83.3 | Confident | 77.5 | Confident | 94 Ų | 94 | 125.8 Ų | 125.8 | 78% | 0.777 | 68% | 0.684 | S | S | * | * | trans | -82.8 | 104.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | P77 S81 | P77-A79 PolarHBondContact O-N 3.32Å; A79-S81 PolarHBondContact O-N 3.41Å | ||
| 80 | E | 80.8 | Confident | 79.1 | Confident | 182 Ų | 182 | 125.1 Ų | 125.1 | 85% | 0.85 | 68% | 0.682 | S | S | * | * | trans | -55.2 | 135.3 | 169.6 | -68.6 | -174.3 | -171.3 | 0 | 0 | 110.5 | E78 | E78-E80 PolarHBondContact O-N 2.95Š| ||
| 81 | S | 77 | Confident | 80.6 | Confident | 91 Ų | 91 | 122.3 Ų | 122.3 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | trans | -140.2 | 156.4 | -177.6 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | A79 | A79-S81 PolarHBondContact O-N 3.41Š| ||
| 82 | N | 74.8 | Confident | 81.9 | Confident | 153 Ų | 153 | 118.5 Ų | 118.5 | 82% | 0.818 | 67% | 0.671 | S | S | * | * | trans | 67.1 | 51.5 | -177.6 | -44.2 | -72.8 | 0 | 0 | 0 | 114.2 | A84 | N82-A84 PolarHBondContact O-N 2.75Å; N82-A84 VanDerWaalsContact O-N 3.09Å | ||
| 83 | I | 87.5 | Confident | 83.6 | Confident | 81 Ų | 81 | 122.7 Ų | 122.7 | 42% | 0.415 | 69% | 0.689 | S | S | . | * | trans | -61.1 | 109.5 | 169.3 | -62.4 | 174.2 | 0 | 0 | 0 | 109.1 | Y85 Y86 | I83-Y85 HydrophobicContact CG2-CD1 3.72Å; I83-Y85 HydrophobicContact CG2-CD2 3.76Å; I83-Y85 HydrophobicContact CG2-CE1 3.43Å; I83-Y85 VanDerWaalsContact CG2-CE1 3.43Å; I83-Y85 HydrophobicContact CG2-CE2 3.48Å; I83-Y85 VanDerWaalsContact CG2-CE2 3.48Å; I83-Y85 HydrophobicContact CG2-CG 3.88Å; I83-Y85 PolarHBondContact O-N 3.4Å; I83-Y85 VanDerWaalsContact O-N 3.08Å; I83-Y86 WeakPolarHBondContact O-CB 3.34Å; I83-Y86 PolarHBondContact O-N 3.44Å | ||
| 84 | A | 87.9 | Confident | 84.6 | Confident | 107 Ų | 107 | 125 Ų | 125 | 88% | 0.884 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -23.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | N82 | N82-A84 PolarHBondContact O-N 2.75Å; N82-A84 VanDerWaalsContact O-N 3.09Å |
| 85 | Y | 89.3 | Confident | 85.5 | Confident | 148 Ų | 148 | 125.4 Ų | 125.4 | 58% | 0.58 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -3.7 | 177.5 | 59.7 | -103.5 | 0 | 0 | 0 | 114 | I83 E87 S88 I89 | I83-Y85 HydrophobicContact CG2-CD1 3.72Å; I83-Y85 HydrophobicContact CG2-CD2 3.76Å; I83-Y85 HydrophobicContact CG2-CE1 3.43Å; I83-Y85 VanDerWaalsContact CG2-CE1 3.43Å; I83-Y85 HydrophobicContact CG2-CE2 3.48Å; I83-Y85 VanDerWaalsContact CG2-CE2 3.48Å; I83-Y85 HydrophobicContact CG2-CG 3.88Å; I83-Y85 PolarHBondContact O-N 3.4Å; I83-Y85 VanDerWaalsContact O-N 3.08Å; Y85-E87 PolarHBondContact O-N 3.11Å; Y85-S88 WeakPolarHBondContact O-CB 3.36Å; Y85-S88 PolarHBondContact O-N 3.22Å; Y85-S88 PolarHBondContact O-OG 3.46Å; Y85-I89 HydrophobicContact CD2-CD1 3.51Å; Y85-I89 HydrophobicContact CD2-CG1 4.23Å; Y85-I89 HydrophobicContact CE2-CD1 3.86Å; Y85-I89 PolarHBondContact O-N 3.42Å |
| 86 | Y | 89.9 | Confident | 86 | Confident | 119 Ų | 119 | 127.8 Ų | 127.8 | 47% | 0.467 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -54.5 | -51.5 | -172.5 | 179.1 | -98.9 | 0 | 0 | 0 | 113.3 | I83 S88 I89 Y90 | I83-Y86 WeakPolarHBondContact O-CB 3.34Å; I83-Y86 PolarHBondContact O-N 3.44Å; Y86-S88 PolarHBondContact O-N 3.08Å; Y86-S88 VanDerWaalsContact O-N 3.11Å; Y86-I89 PolarHBondContact O-N 3.43Å; Y86-Y90 AromaticContact CD2-CD2 3.59Å; Y86-Y90 HydrophobicContact CD2-CD2 3.59Å; Y86-Y90 HydrophobicContact CD2-CE2 4.2Å; Y86-Y90 AromaticContact CE2-CD2 3.46Å; Y86-Y90 HydrophobicContact CE2-CD2 3.46Å; Y86-Y90 VanDerWaalsContact CE2-CD2 3.46Å; Y86-Y90 HydrophobicContact CE2-CE2 4.12Å; Y86-Y90 HydrophobicContact CE2-CG 4.05Å; Y86-Y90 HydrophobicContact CG-CD2 4.4Å; Y86-Y90 PolarHBondContact O-N 2.99Å |
| 87 | E | 89.4 | Confident | 86.5 | Confident | 150 Ų | 150 | 125.2 Ų | 125.2 | 70% | 0.701 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -62.2 | -18.7 | 179.5 | -59.9 | -64 | 153.2 | 0 | 0 | 113.5 | Y85 | Y85-E87 PolarHBondContact O-N 3.11Å |
| 88 | S | 90.5 | Very high | 86.9 | Confident | 96 Ų | 96 | 128.5 Ų | 128.5 | 67% | 0.671 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -87.3 | -19.6 | 176.7 | 72 | 0 | 0 | 0 | 0 | 113.9 | Y85 Y86 | Y85-S88 WeakPolarHBondContact O-CB 3.36Å; Y85-S88 PolarHBondContact O-N 3.22Å; Y85-S88 PolarHBondContact O-OG 3.46Å; Y86-S88 PolarHBondContact O-N 3.08Å; Y86-S88 VanDerWaalsContact O-N 3.11Å |
| 89 | I | 90.8 | Very high | 87.4 | Confident | 92 Ų | 92 | 127.2 Ų | 127.2 | 47% | 0.472 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -100.4 | -34.9 | 178.5 | -58.9 | -174.4 | 0 | 0 | 0 | 111.2 | Y85 Y86 P91 | Y85-I89 HydrophobicContact CD2-CD1 3.51Å; Y85-I89 HydrophobicContact CD2-CG1 4.23Å; Y85-I89 HydrophobicContact CE2-CD1 3.86Å; Y85-I89 PolarHBondContact O-N 3.42Å; Y86-I89 PolarHBondContact O-N 3.43Å; I89-P91 VanDerWaalsContact C-CD 3.45Å; I89-P91 WeakPolarHBondContact O-CD 3.47Å |
| 90 | Y | 89.2 | Confident | 87.8 | Confident | 143 Ų | 143 | 131 Ų | 131 | 56% | 0.561 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -117.9 | 71.4 | -173.3 | -62.1 | -72.1 | 0 | 0 | 0 | 112.5 | Y86 G92 | Y86-Y90 AromaticContact CD2-CD2 3.59Å; Y86-Y90 HydrophobicContact CD2-CD2 3.59Å; Y86-Y90 HydrophobicContact CD2-CE2 4.2Å; Y86-Y90 AromaticContact CE2-CD2 3.46Å; Y86-Y90 HydrophobicContact CE2-CD2 3.46Å; Y86-Y90 VanDerWaalsContact CE2-CD2 3.46Å; Y86-Y90 HydrophobicContact CE2-CE2 4.12Å; Y86-Y90 HydrophobicContact CE2-CG 4.05Å; Y86-Y90 HydrophobicContact CG-CD2 4.4Å; Y86-Y90 PolarHBondContact O-N 2.99Å; Y90-G92 PolarHBondContact O-N 3.37Å |
| 91 | P | 86.1 | Confident | 88.2 | Confident | 85 Ų | 85 | 127.4 Ų | 127.4 | 55% | 0.552 | 67% | 0.665 | S | S | * | * | trans | -63.9 | 127.7 | 178.7 | 27.5 | -34.8 | 0 | 0 | 0 | 111.4 | I89 E93 | I89-P91 VanDerWaalsContact C-CD 3.45Å; I89-P91 WeakPolarHBondContact O-CD 3.47Å; P91-E93 HydrophobicContact CB-CG 4.36Å; P91-E93 PolarHBondContact O-N 3.35Å | ||
| 92 | G | 83.9 | Confident | 88.6 | Confident | 81 Ų | 81 | 131 Ų | 131 | 84% | 0.835 | 67% | 0.671 | S | S | * | * | trans | -72.6 | 46.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y90 F94 | Y90-G92 PolarHBondContact O-N 3.37Å; G92-F94 VanDerWaalsContact C-N 3.33Å; G92-F94 PolarHBondContact O-N 3.35Å | ||
| 93 | E | 89 | Confident | 88.9 | Confident | 161 Ų | 161 | 129.5 Ų | 129.5 | 75% | 0.752 | 66% | 0.662 | S | S | * | * | trans | -78.6 | -10.4 | -174 | -58.4 | -156.5 | 159.8 | 0 | 0 | 115.1 | P91 K95 | P91-E93 HydrophobicContact CB-CG 4.36Å; P91-E93 PolarHBondContact O-N 3.35Å; E93-K95 PolarHBondContact O-N 3.42Å | ||
| 94 | F | 89.3 | Confident | 88.1 | Confident | 148 Ų | 148 | 131.9 Ų | 131.9 | 65% | 0.649 | 67% | 0.672 | S | S | * | * | trans | -62.8 | 125.9 | -174.8 | 175.7 | -101.7 | 0 | 0 | 0 | 112.9 | G92 M96 I101 | G92-F94 VanDerWaalsContact C-N 3.33Å; G92-F94 PolarHBondContact O-N 3.35Å; F94-M96 HydrophobicContact CE1-CB 4.18Å; F94-I101 HydrophobicContact CE2-CD1 4.4Å; F94-I101 HydrophobicContact CZ-CD1 3.97Å | ||
| 95 | K | 90.7 | Very high | 86.9 | Confident | 156 Ų | 156 | 132.3 Ų | 132.3 | 68% | 0.678 | 67% | 0.665 | S | S | * | * | trans | -109.9 | 107.8 | 178.8 | -71 | 166.7 | -170.8 | 166.2 | 0 | 110 | E93 P97 | E93-K95 PolarHBondContact O-N 3.42Å; K95-P97 VanDerWaalsContact O-CD 3.3Å; K95-P97 WeakPolarHBondContact O-CD 3.19Å | ||
| 96 | M | 88.6 | Confident | 85.2 | Confident | 166 Ų | 166 | 131.9 Ų | 131.9 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | trans | -52.9 | 118.7 | -179.1 | -175 | 174.1 | 67.9 | 0 | 0 | 112 | F94 | F94-M96 HydrophobicContact CE1-CB 4.18Š| ||
| 97 | P | 91.8 | Very high | 83.6 | Confident | 68 Ų | 68 | 130.8 Ų | 130.8 | 44% | 0.442 | 68% | 0.677 | S | S | . | * | trans | -67.1 | 159.3 | 175.9 | -21.1 | 33.9 | 0 | 0 | 0 | 112.7 | K95 Q99 | K95-P97 VanDerWaalsContact O-CD 3.3Å; K95-P97 WeakPolarHBondContact O-CD 3.19Å; P97-Q99 PolarHBondContact O-N 3.35Å | ||
| 98 | K | 93 | Very high | 81.8 | Confident | 184 Ų | 184 | 128.6 Ų | 128.6 | 80% | 0.8 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -75.3 | -4.9 | 175.1 | -62.2 | -175.1 | -176.9 | 178.3 | 0 | 114.3 | S705 | K98-S705 PolarHBondContact NZ-OG 2.6Š|
| 99 | Q | 93.1 | Very high | 80.1 | Confident | 167 Ų | 167 | 130.6 Ų | 130.6 | 78% | 0.78 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -128.4 | 157.6 | -178.9 | -70 | 179 | -31.9 | 0 | 0 | 108.2 | P97 | P97-Q99 PolarHBondContact O-N 3.35Š|
| 100 | L | 92.1 | Very high | 78.6 | Confident | 173 Ų | 173 | 130.6 Ų | 130.6 | 91% | 0.906 | 69% | 0.686 | S | S | * | * | trans | -59.2 | 142.7 | 175.2 | -61.8 | 176.7 | 0 | 0 | 0 | 110.5 | H102 | L100-H102 PolarHBondContact O-N 3.05Š| ||
| 101 | I | 88.2 | Confident | 77.4 | Confident | 107 Ų | 107 | 132.2 Ų | 132.2 | 55% | 0.549 | 70% | 0.699 | S | S | . | * | trans | -69.4 | 105.7 | 178 | -53.6 | 176.1 | 0 | 0 | 0 | 108.1 | F94 I103 | F94-I101 HydrophobicContact CE2-CD1 4.4Å; F94-I101 HydrophobicContact CZ-CD1 3.97Å; I101-I103 VanDerWaalsContact C-N 3.35Å; I101-I103 HydrophobicContact CG2-CG1 3.86Å; I101-I103 PolarHBondContact O-N 2.58Å | ||
| 102 | H | 85.5 | Confident | 77.3 | Confident | 165 Ų | 165 | 134.3 Ų | 134.3 | 76% | 0.764 | 70% | 0.701 | S | S | * | * | trans | -77.1 | 88.4 | 171.7 | -178.3 | -78.1 | 0 | 0 | 0 | 109.3 | L100 Q104 | L100-H102 PolarHBondContact O-N 3.05Å; H102-Q104 VanDerWaalsContact C-N 3.34Å; H102-Q104 PolarHBondContact O-N 2.9Å | ||
| 103 | I | 80.8 | Confident | 77.6 | Confident | 123 Ų | 123 | 131.1 Ų | 131.1 | 63% | 0.631 | 67% | 0.666 | S | S | * | * | trans | -69.3 | 91.9 | 175.7 | -54.8 | 175.8 | 0 | 0 | 0 | 108.7 | I101 F106 | I101-I103 VanDerWaalsContact C-N 3.35Å; I101-I103 HydrophobicContact CG2-CG1 3.86Å; I101-I103 PolarHBondContact O-N 2.58Å; I103-F106 HydrophobicContact CG2-CE2 4.25Å | ||
| 104 | Q | 70.1 | Confident | 77.6 | Confident | 131 Ų | 131 | 127.6 Ų | 127.6 | 61% | 0.612 | 65% | 0.652 | S | S | * | * | trans | -72.2 | 135.7 | 154.1 | -177.2 | 169.1 | -5.1 | 0 | 0 | 107.2 | H102 F106 | H102-Q104 VanDerWaalsContact C-N 3.34Å; H102-Q104 PolarHBondContact O-N 2.9Å; Q104-F106 PolarHBondContact O-N 3.02Å | ||
| 105 | P | 64 | Low | 77.8 | Confident | 115 Ų | 115 | 121.1 Ų | 121.1 | 75% | 0.747 | 62% | 0.623 | S | S | * | * | trans | -54.3 | 114.7 | 174.6 | -26.8 | 35.6 | 0 | 0 | 0 | 109.9 | ||||
| 106 | F | 52.8 | Low | 77.9 | Confident | 139 Ų | 139 | 119.3 Ų | 119.3 | 61% | 0.61 | 62% | 0.621 | S | S | * | * | trans | -73.3 | 135.7 | -175.5 | -66.6 | -86.4 | 0 | 0 | 0 | 109.8 | I103 Q104 L108 | I103-F106 HydrophobicContact CG2-CE2 4.25Å; Q104-F106 PolarHBondContact O-N 3.02Å; F106-L108 HydrophobicContact CB-CB 4.28Å; F106-L108 HydrophobicContact CB-CD1 3.74Å; F106-L108 HydrophobicContact CB-CG 3.87Å; F106-L108 HydrophobicContact CD1-CD1 4.34Å; F106-L108 HydrophobicContact CG-CD1 4Å; F106-L108 HydrophobicContact CG-CG 4.49Å; F106-L108 PolarHBondContact O-N 3.1Å | ||
| 107 | S | 56 | Low | 78.2 | Confident | 97 Ų | 97 | 113.5 Ų | 113.5 | 68% | 0.678 | 59% | 0.593 | S | S | * | * | trans | -87.2 | 48.3 | 167.1 | -52.1 | 0 | 0 | 0 | 0 | 110.4 | D109 | S107-D109 VanDerWaalsContact C-N 3.29Š| ||
| 108 | L | 52.2 | Low | 78.3 | Confident | 104 Ų | 104 | 113.4 Ų | 113.4 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -69.1 | -29.9 | -177.5 | -90 | 162.9 | 0 | 0 | 0 | 111.9 | F106 A110 E111 | F106-L108 HydrophobicContact CB-CB 4.28Å; F106-L108 HydrophobicContact CB-CD1 3.74Å; F106-L108 HydrophobicContact CB-CG 3.87Å; F106-L108 HydrophobicContact CD1-CD1 4.34Å; F106-L108 HydrophobicContact CG-CD1 4Å; F106-L108 HydrophobicContact CG-CG 4.49Å; F106-L108 PolarHBondContact O-N 3.1Å; L108-A110 PolarHBondContact O-N 2.93Å; L108-E111 PolarHBondContact O-N 3.21Å |
| 109 | D | 56.1 | Low | 78.4 | Confident | 138 Ų | 138 | 109 Ų | 109 | 74% | 0.738 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -53.3 | 0.5 | 174.3 | -41.5 | 10.2 | 0 | 0 | 0 | 115.1 | S107 | S107-D109 VanDerWaalsContact C-N 3.29Š|
| 110 | A | 57.8 | Low | 78.4 | Confident | 92 Ų | 92 | 105.4 Ų | 105.4 | 76% | 0.76 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -118.3 | -6.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L108 | L108-A110 PolarHBondContact O-N 2.93Š|
| 111 | E | 65.3 | Low | 78.6 | Confident | 177 Ų | 177 | 97.1 Ų | 97.1 | 83% | 0.827 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | -18 | -178.9 | -166.9 | 164.4 | -157.5 | 0 | 0 | 113.2 | L108 | L108-E111 PolarHBondContact O-N 3.21Š|
| 112 | Q | 83 | Confident | 78.9 | Confident | 129 Ų | 129 | 97.1 Ų | 97.1 | 60% | 0.603 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -106.7 | 144.6 | 170.9 | -171.1 | 172.8 | -20.2 | 0 | 0 | 110.4 | ||
| 113 | P | 89.8 | Confident | 79.4 | Confident | 14 Ų | 14 | 94.2 Ų | 94.2 | 9% | 0.091 | 51% | 0.512 | C | S | . | . | trans | -60.7 | 152.3 | 169.3 | -23.2 | 35.2 | 0 | 0 | 0 | 112.5 | Y115 L137 E140 E141 D144 | P113-Y115 PolarHBondContact O-N 3.49Å; P113-L137 HydrophobicContact CG-CD1 3.98Å; P113-E140 HydrophobicContact CB-CB 4.11Å; P113-E140 HydrophobicContact CG-CB 3.96Å; P113-E141 HydrophobicContact CG-CG 3.87Å; P113-D144 HydrophobicContact CB-CB 3.94Å | ||
| 114 | D | 90.1 | Very high | 80 | Confident | 86 Ų | 86 | 89.5 Ų | 89.5 | 46% | 0.46 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -84 | 2.1 | 170.4 | -64.5 | -48.3 | 0 | 0 | 0 | 112 | D144 K148 I191 | D114-D144 WeakPolarHBondContact CB-OD1 3.34Å; D114-D144 PolarHBondContact N-OD1 3.29Å; D114-K148 WeakPolarHBondContact OD2-CE 3.38Å; D114-K148 IonicContact OD2-NZ 3.64Å; D114-K148 PolarHBondContact OD2-NZ 3.05Å; D114-I191 HydrophobicContact CB-CD1 4.03Å; D114-I191 WeakPolarHBondContact O-CD1 3.47Å |
| 115 | Y | 92.8 | Very high | 81.2 | Confident | 13 Ų | 13 | 83.7 Ų | 83.7 | 5% | 0.051 | 46% | 0.46 | C | S | . | . | trans | -112.3 | 109 | -178.2 | -167.2 | -95.9 | 0 | 0 | 0 | 111 | P113 D121 E140 I143 K181 L190 I191 | P113-Y115 PolarHBondContact O-N 3.49Å; Y115-D121 PolarHBondContact OH-OD2 2.89Å; Y115-E140 VanDerWaalsContact O-CB 3.32Å; Y115-E140 WeakPolarHBondContact O-CB 3.23Å; Y115-E140 VanDerWaalsContact O-CG 3.3Å; Y115-E140 WeakPolarHBondContact O-CG 3.33Å; Y115-I143 HydrophobicContact CD1-CB 3.73Å; Y115-I143 HydrophobicContact CD1-CG1 4.34Å; Y115-I143 HydrophobicContact CD1-CG2 3.57Å; Y115-I143 HydrophobicContact CD2-CG2 3.78Å; Y115-I143 HydrophobicContact CE1-CB 4.05Å; Y115-I143 HydrophobicContact CE1-CG1 4.27Å; Y115-I143 HydrophobicContact CE1-CG2 3.63Å; Y115-I143 HydrophobicContact CE2-CG2 3.89Å; Y115-I143 HydrophobicContact CG-CB 4.1Å; Y115-I143 HydrophobicContact CG-CG2 3.64Å; Y115-K181 PolarHBondContact OH-NZ 2.93Å; Y115-L190 HydrophobicContact CE2-CB 3.79Å; Y115-L190 HydrophobicContact CE2-CD1 4.32Å; Y115-I191 HydrophobicContact CD2-CD1 4.38Å; Y115-I191 HydrophobicContact CD2-CG1 3.78Å; Y115-I191 HydrophobicContact CE2-CG1 4.49Å | ||
| 116 | D | 93.3 | Very high | 82.6 | Confident | 117 Ų | 117 | 83 Ų | 83 | 63% | 0.626 | 45% | 0.45 | S | S | * | . | trans | -84.6 | 142 | 167.5 | -56 | -58.7 | 0 | 0 | 0 | 110.5 | ||||
| 117 | L | 94.1 | Very high | 84.5 | Confident | 44 Ų | 44 | 82.8 Ų | 82.8 | 23% | 0.23 | 45% | 0.449 | C | S | . | . | trans | -59.7 | 136.6 | 171.1 | -71.2 | 150.6 | 0 | 0 | 0 | 113 | D121 V125 P136 F139 E140 | L117-D121 HydrophobicContact CB-CB 4.33Å; L117-D121 HydrophobicContact CD2-CB 3.43Å; L117-D121 VanDerWaalsContact CD2-CB 3.43Å; L117-D121 HydrophobicContact CG-CB 4.47Å; L117-V125 HydrophobicContact CD2-CG2 4.08Å; L117-P136 HydrophobicContact CD1-CB 3.56Å; L117-F139 HydrophobicContact CD2-CD1 3.35Å; L117-F139 HydrophobicContact CD2-CE1 3.74Å; L117-F139 HydrophobicContact CD2-CG 4.28Å; L117-F139 HydrophobicContact CG-CD1 4.44Å; L117-E140 HydrophobicContact CD1-CG 3.91Å; L117-E140 VanDerWaalsContact CD1-OE1 3.32Å; L117-E140 WeakPolarHBondContact CD1-OE1 3.35Å; L117-E140 HydrophobicContact CD2-CG 4.41Å; L117-E140 HydrophobicContact CG-CG 3.63Å; L117-E140 WeakPolarHBondContact CG-OE1 3.45Å; L117-E140 PolarHBondContact N-OE1 2.82Å | ||
| 118 | D | 93.8 | Very high | 86.2 | Confident | 67 Ų | 67 | 78.2 Ų | 78.2 | 36% | 0.358 | 42% | 0.417 | S | S | . | . | trans | -101.1 | 174.4 | 163.5 | 75.9 | 29.2 | 0 | 0 | 0 | 113.4 | E120 D121 E122 K181 | D118-E120 PolarHBondContact O-N 3.49Å; D118-E120 WeakPolarHBondContact OD1-CA 3.1Å; D118-E120 WeakPolarHBondContact OD1-CB 3.18Å; D118-E120 PolarHBondContact OD1-N 2.9Å; D118-D121 PolarHBondContact N-OD2 3.05Å; D118-D121 CarbonylContact O-C 3.6Å; D118-D121 WeakPolarHBondContact O-CA 3.46Å; D118-D121 WeakPolarHBondContact O-CB 3.16Å; D118-D121 PolarHBondContact O-N 3.42Å; D118-D121 PolarHBondContact OD1-N 3.43Å; D118-E122 PolarHBondContact O-N 3.12Å; D118-K181 IonicContact OD1-NZ 2.8Å; D118-K181 PolarHBondContact OD1-NZ 3.41Å; D118-K181 WeakPolarHBondContact OD2-CE 3.49Å; D118-K181 IonicContact OD2-NZ 3.05Å; D118-K181 PolarHBondContact OD2-NZ 3.13Å | ||
| 119 | S | 94.8 | Very high | 88 | Confident | 90 Ų | 90 | 77.8 Ų | 77.8 | 63% | 0.629 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68.5 | -13.7 | -178.3 | -49.6 | 0 | 0 | 0 | 0 | 114.9 | V123 | S119-V123 WeakPolarHBondContact O-CG2 3.5Å |
| 120 | E | 94.7 | Very high | 89.7 | Confident | 92 Ų | 92 | 80 Ų | 80 | 43% | 0.43 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -78.4 | -39.5 | 166 | -165.7 | -176.3 | 159.8 | 0 | 0 | 109.8 | D118 V123 F124 Y177 K180 | D118-E120 PolarHBondContact O-N 3.49Å; D118-E120 WeakPolarHBondContact OD1-CA 3.1Å; D118-E120 WeakPolarHBondContact OD1-CB 3.18Å; D118-E120 PolarHBondContact OD1-N 2.9Å; E120-V123 PolarHBondContact O-N 2.98Å; E120-F124 PolarHBondContact O-N 2.9Å; E120-Y177 HydrophobicContact CG-CE2 4.33Å; E120-Y177 WeakPolarHBondContact CG-OH 3.36Å; E120-K180 IonicContact OE1-NZ 2.74Å |
| 121 | D | 95.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.1 | -45 | 175 | -57.1 | -49.3 | 0 | 0 | 0 | 111.9 | Y115 L117 D118 V123 F124 V125 F139 Y177 K181 | Y115-D121 PolarHBondContact OH-OD2 2.89Å; L117-D121 HydrophobicContact CB-CB 4.33Å; L117-D121 HydrophobicContact CD2-CB 3.43Å; L117-D121 VanDerWaalsContact CD2-CB 3.43Å; L117-D121 HydrophobicContact CG-CB 4.47Å; D118-D121 PolarHBondContact N-OD2 3.05Å; D118-D121 CarbonylContact O-C 3.6Å; D118-D121 WeakPolarHBondContact O-CA 3.46Å; D118-D121 WeakPolarHBondContact O-CB 3.16Å; D118-D121 PolarHBondContact O-N 3.42Å; D118-D121 PolarHBondContact OD1-N 3.43Å; D121-V123 PolarHBondContact O-N 3.42Å; D121-F124 CarbonylContact O-C 3.52Å; D121-F124 WeakPolarHBondContact O-CA 3.32Å; D121-F124 WeakPolarHBondContact O-CB 3.3Å; D121-F124 PolarHBondContact O-N 2.89Å; D121-V125 WeakPolarHBondContact O-CB 3.4Å; D121-V125 WeakPolarHBondContact O-CG2 3.3Å; D121-V125 PolarHBondContact O-N 3.15Å; D121-F139 HydrophobicContact CB-CE1 3.75Å; D121-F139 HydrophobicContact CB-CZ 4.25Å; D121-Y177 WeakPolarHBondContact OD1-CE1 3.38Å; D121-Y177 PolarHBondContact OD1-OH 3.08Å; D121-Y177 VanDerWaalsContact OD1-OH 3.11Å; D121-K181 IonicContact OD1-NZ 2.7Å; D121-K181 PolarHBondContact OD1-NZ 2.98Å; D121-K181 IonicContact OD2-NZ 2.72Å; D121-K181 PolarHBondContact OD2-NZ 3.04Å |
| 122 | E | 94.6 | Very high | 92.2 | Very high | 107 Ų | 107 | 75.8 Ų | 75.8 | 50% | 0.5 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -54.1 | -43.2 | 177 | -73.4 | -170.3 | 146.8 | 0 | 0 | 111.4 | D118 N126 | D118-E122 PolarHBondContact O-N 3.12Å; E122-N126 WeakPolarHBondContact O-CB 3.44Å; E122-N126 PolarHBondContact O-N 3.17Å; E122-N126 PolarHBondContact O-ND2 3.09Å |
| 123 | V | 95.2 | Very high | 92.4 | Very high | 103 Ų | 103 | 75.9 Ų | 75.9 | 62% | 0.624 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -69.7 | -36.8 | 178 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | S119 E120 D121 K127 | S119-V123 WeakPolarHBondContact O-CG2 3.5Å; E120-V123 PolarHBondContact O-N 2.98Å; D121-V123 PolarHBondContact O-N 3.42Å; V123-K127 VanDerWaalsContact O-CB 3.32Å; V123-K127 WeakPolarHBondContact O-CB 3.47Å; V123-K127 PolarHBondContact O-N 3.26Å |
| 124 | F | 94.8 | Very high | 92.4 | Very high | 25 Ų | 25 | 75.2 Ų | 75.2 | 11% | 0.11 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.4 | -51.4 | 174.2 | 176.5 | -100.4 | 0 | 0 | 0 | 112.1 | E120 D121 N126 K127 L128 F139 E173 V174 Y177 | E120-F124 PolarHBondContact O-N 2.9Å; D121-F124 CarbonylContact O-C 3.52Å; D121-F124 WeakPolarHBondContact O-CA 3.32Å; D121-F124 WeakPolarHBondContact O-CB 3.3Å; D121-F124 PolarHBondContact O-N 2.89Å; F124-N126 PolarHBondContact O-N 3.17Å; F124-K127 CarbonylContact O-C 3.47Å; F124-K127 WeakPolarHBondContact O-CA 3.35Å; F124-K127 WeakPolarHBondContact O-CB 3.27Å; F124-K127 PolarHBondContact O-N 2.77Å; F124-L128 HydrophobicContact CE1-CD2 3.67Å; F124-L128 HydrophobicContact CZ-CD2 3.91Å; F124-L128 WeakPolarHBondContact O-CB 3.47Å; F124-L128 PolarHBondContact O-N 3.08Å; F124-F139 HydrophobicContact CD1-CD2 4.4Å; F124-F139 AromaticContact CD1-CE2 3.63Å; F124-F139 HydrophobicContact CD1-CE2 3.63Å; F124-F139 HydrophobicContact CD1-CZ 4.12Å; F124-F139 HydrophobicContact CE1-CD2 4.31Å; F124-F139 AromaticContact CE1-CE2 3.64Å; F124-F139 HydrophobicContact CE1-CE2 3.64Å; F124-F139 HydrophobicContact CE1-CZ 4.49Å; F124-E173 HydrophobicContact CE2-CG 4.14Å; F124-E173 HydrophobicContact CZ-CG 3.91Å; F124-V174 HydrophobicContact CE1-CG2 4.43Å; F124-Y177 HydrophobicContact CB-CD2 4.14Å; F124-Y177 HydrophobicContact CB-CE2 3.89Å; F124-Y177 HydrophobicContact CD1-CD1 4.07Å; F124-Y177 HydrophobicContact CD1-CD2 4.29Å; F124-Y177 HydrophobicContact CD1-CE1 4.48Å; F124-Y177 AromaticContact CD1-CG 3.99Å; F124-Y177 HydrophobicContact CD1-CG 3.99Å; F124-Y177 AromaticContact CD2-CD2 3.46Å; F124-Y177 HydrophobicContact CD2-CD2 3.46Å; F124-Y177 VanDerWaalsContact CD2-CD2 3.46Å; F124-Y177 HydrophobicContact CD2-CE2 4.09Å; F124-Y177 AromaticContact CD2-CG 3.79Å; F124-Y177 HydrophobicContact CD2-CG 3.79Å; F124-Y177 HydrophobicContact CE1-CD1 4.27Å; F124-Y177 HydrophobicContact CE1-CG 4.06Å; F124-Y177 AromaticContact CE2-CD2 3.9Å; F124-Y177 HydrophobicContact CE2-CD2 3.9Å; F124-Y177 AromaticContact CE2-CG 3.86Å; F124-Y177 HydrophobicContact CE2-CG 3.86Å; F124-Y177 HydrophobicContact CG-CD1 4.25Å; F124-Y177 AromaticContact CG-CD2 3.69Å; F124-Y177 HydrophobicContact CG-CD2 3.69Å; F124-Y177 AromaticContact CG-CE2 3.97Å; F124-Y177 HydrophobicContact CG-CE2 3.97Å; F124-Y177 AromaticContact CG-CG 3.85Å; F124-Y177 HydrophobicContact CG-CG 3.85Å; F124-Y177 HydrophobicContact CZ-CD2 4.47Å; F124-Y177 AromaticContact CZ-CG 3.98Å; F124-Y177 HydrophobicContact CZ-CG 3.98Å |
| 125 | V | 94.2 | Very high | 92.4 | Very high | 8 Ų | 8 | 74.2 Ų | 74.2 | 5% | 0.048 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 179.1 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | L117 D121 K127 L128 K129 I134 F139 | L117-V125 HydrophobicContact CD2-CG2 4.08Å; D121-V125 WeakPolarHBondContact O-CB 3.4Å; D121-V125 WeakPolarHBondContact O-CG2 3.3Å; D121-V125 PolarHBondContact O-N 3.15Å; V125-K127 PolarHBondContact O-N 2.97Å; V125-L128 PolarHBondContact O-N 3.36Å; V125-K129 WeakPolarHBondContact O-CB 3.35Å; V125-K129 PolarHBondContact O-N 3.27Å; V125-I134 HydrophobicContact CG1-CG2 4.3Å; V125-F139 HydrophobicContact CG2-CB 3.98Å; V125-F139 HydrophobicContact CG2-CD1 3.98Å; V125-F139 HydrophobicContact CG2-CD2 3.78Å; V125-F139 HydrophobicContact CG2-CE1 4.36Å; V125-F139 HydrophobicContact CG2-CE2 4.21Å; V125-F139 HydrophobicContact CG2-CG 3.63Å; V125-F139 HydrophobicContact CG2-CZ 4.46Å |
| 126 | N | 93.4 | Very high | 92.4 | Very high | 100 Ų | 100 | 76.6 Ų | 76.6 | 54% | 0.535 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.2 | -19.8 | 175.1 | -80 | -66 | 0 | 0 | 0 | 114 | E122 F124 K130 | E122-N126 WeakPolarHBondContact O-CB 3.44Å; E122-N126 PolarHBondContact O-N 3.17Å; E122-N126 PolarHBondContact O-ND2 3.09Å; F124-N126 PolarHBondContact O-N 3.17Å; N126-K130 WeakPolarHBondContact O-CE 3.18Å |
| 127 | K | 93.3 | Very high | 92.3 | Very high | 135 Ų | 135 | 75 Ų | 75 | 59% | 0.587 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -84.8 | -42.6 | 171.5 | -179.3 | -174.8 | 175.2 | -170.8 | 0 | 111.4 | V123 F124 V125 K130 | V123-K127 VanDerWaalsContact O-CB 3.32Å; V123-K127 WeakPolarHBondContact O-CB 3.47Å; V123-K127 PolarHBondContact O-N 3.26Å; F124-K127 CarbonylContact O-C 3.47Å; F124-K127 WeakPolarHBondContact O-CA 3.35Å; F124-K127 WeakPolarHBondContact O-CB 3.27Å; F124-K127 PolarHBondContact O-N 2.77Å; V125-K127 PolarHBondContact O-N 2.97Å; K127-K130 PolarHBondContact O-N 3.05Å |
| 128 | L | 91.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 75.6 Ų | 75.6 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66 | -39.1 | 178.3 | -177.8 | 53.7 | 0 | 0 | 0 | 111.6 | F124 V125 K130 K131 M132 I134 L170 E173 V174 | F124-L128 HydrophobicContact CE1-CD2 3.67Å; F124-L128 HydrophobicContact CZ-CD2 3.91Å; F124-L128 WeakPolarHBondContact O-CB 3.47Å; F124-L128 PolarHBondContact O-N 3.08Å; V125-L128 PolarHBondContact O-N 3.36Å; L128-K130 PolarHBondContact O-N 3.11Å; L128-K131 HydrophobicContact CD1-CD 4.48Å; L128-K131 WeakPolarHBondContact O-CA 3.47Å; L128-K131 WeakPolarHBondContact O-CB 3.34Å; L128-K131 PolarHBondContact O-N 3.4Å; L128-M132 HydrophobicContact CD1-CB 4.44Å; L128-M132 HydrophobicContact CD1-CG 4.29Å; L128-M132 HydrophobicContact CD1-SD 4.17Å; L128-M132 PolarHBondContact O-N 3.01Å; L128-M132 VanDerWaalsContact O-O 3.13Å; L128-I134 HydrophobicContact CB-CG2 4.5Å; L128-I134 HydrophobicContact CD2-CD1 4.29Å; L128-I134 HydrophobicContact CD2-CG2 4.31Å; L128-I134 HydrophobicContact CG-CG2 4.14Å; L128-L170 HydrophobicContact CD1-CD1 4.26Å; L128-L170 HydrophobicContact CD2-CD1 3.84Å; L128-L170 HydrophobicContact CG-CD1 4.22Å; L128-E173 HydrophobicContact CD1-CG 4.34Å; L128-V174 HydrophobicContact CD2-CG2 4.03Å |
| 129 | K | 90.8 | Very high | 92.3 | Very high | 96 Ų | 96 | 72.4 Ų | 72.4 | 42% | 0.417 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -14.9 | 176 | -167 | 161.2 | -169.7 | 118.5 | 0 | 114.8 | V125 M132 D133 I134 | V125-K129 WeakPolarHBondContact O-CB 3.35Å; V125-K129 PolarHBondContact O-N 3.27Å; K129-M132 VanDerWaalsContact CA-O 3.24Å; K129-M132 WeakPolarHBondContact CA-O 3.2Å; K129-D133 WeakPolarHBondContact CE-OD1 3.5Å; K129-D133 IonicContact NZ-OD1 3.19Å; K129-D133 PolarHBondContact NZ-OD1 2.95Å; K129-I134 HydrophobicContact CB-CG2 4.45Å; K129-I134 PolarHBondContact NZ-O 3.01Å |
| 130 | K | 90.2 | Very high | 92.3 | Very high | 183 Ų | 183 | 69.6 Ų | 69.6 | 80% | 0.796 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -11.2 | 173.6 | -61.1 | 175.6 | -175.5 | 176.1 | 0 | 113.6 | N126 K127 L128 | N126-K130 WeakPolarHBondContact O-CE 3.18Å; K127-K130 PolarHBondContact O-N 3.05Å; L128-K130 PolarHBondContact O-N 3.11Å |
| 131 | K | 88.2 | Confident | 92.3 | Very high | 132 Ų | 132 | 68.3 Ų | 68.3 | 57% | 0.574 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -44.5 | 175.5 | -63.6 | 177.9 | 170.6 | -176.5 | 0 | 112.1 | L128 E173 | L128-K131 HydrophobicContact CD1-CD 4.48Å; L128-K131 WeakPolarHBondContact O-CA 3.47Å; L128-K131 WeakPolarHBondContact O-CB 3.34Å; L128-K131 PolarHBondContact O-N 3.4Å; K131-E173 IonicContact NZ-OE1 2.64Å; K131-E173 PolarHBondContact NZ-OE1 2.79Å; K131-E173 IonicContact NZ-OE2 3.14Å; K131-E173 PolarHBondContact NZ-OE2 2.65Å |
| 132 | M | 88.6 | Confident | 92.2 | Very high | 50 Ų | 50 | 68.3 Ų | 68.3 | 25% | 0.246 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -141.4 | 139 | -170 | -49.4 | -177.6 | 84.2 | 0 | 0 | 107.7 | L128 K129 I134 E169 L170 | L128-M132 HydrophobicContact CD1-CB 4.44Å; L128-M132 HydrophobicContact CD1-CG 4.29Å; L128-M132 HydrophobicContact CD1-SD 4.17Å; L128-M132 PolarHBondContact O-N 3.01Å; L128-M132 VanDerWaalsContact O-O 3.13Å; K129-M132 VanDerWaalsContact CA-O 3.24Å; K129-M132 WeakPolarHBondContact CA-O 3.2Å; M132-I134 PolarHBondContact O-N 3.34Å; M132-E169 HydrophobicContact CE-CB 3.84Å; M132-L170 HydrophobicContact CB-CD1 4.21Å; M132-L170 HydrophobicContact CE-CB 3.95Å; M132-L170 HydrophobicContact CE-CD1 4.45Å; M132-L170 HydrophobicContact SD-CB 4.22Å; M132-L170 HydrophobicContact SD-CD1 3.82Å |
| 133 | D | 86.4 | Confident | 92.2 | Very high | 130 Ų | 130 | 63.3 Ų | 63.3 | 70% | 0.695 | 32% | 0.316 | S | S | * | . | trans | -76.7 | 126.2 | 177.4 | -163.4 | 15.9 | 0 | 0 | 0 | 110.3 | K129 | K129-D133 WeakPolarHBondContact CE-OD1 3.5Å; K129-D133 IonicContact NZ-OD1 3.19Å; K129-D133 PolarHBondContact NZ-OD1 2.95Å | ||
| 134 | I | 90.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | trans | -142.1 | 139.9 | 179.1 | -177.5 | 165.3 | 0 | 0 | 0 | 109.1 | V125 L128 K129 M132 Q138 F139 M142 L170 V174 | V125-I134 HydrophobicContact CG1-CG2 4.3Å; L128-I134 HydrophobicContact CB-CG2 4.5Å; L128-I134 HydrophobicContact CD2-CD1 4.29Å; L128-I134 HydrophobicContact CD2-CG2 4.31Å; L128-I134 HydrophobicContact CG-CG2 4.14Å; K129-I134 HydrophobicContact CB-CG2 4.45Å; K129-I134 PolarHBondContact NZ-O 3.01Å; M132-I134 PolarHBondContact O-N 3.34Å; I134-Q138 HydrophobicContact CG1-CB 4.41Å; I134-F139 HydrophobicContact CD1-CB 3.92Å; I134-F139 HydrophobicContact CD1-CD2 4.3Å; I134-F139 HydrophobicContact CG1-CB 4.45Å; I134-M142 HydrophobicContact CD1-SD 4.37Å; I134-L170 HydrophobicContact CD1-CD1 4.23Å; I134-L170 HydrophobicContact CD1-CD2 4.34Å; I134-V174 HydrophobicContact CD1-CG2 4.47Å | ||
| 135 | C | 90.3 | Very high | 92 | Very high | 65 Ų | 65 | 61.5 Ų | 61.5 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | trans | -90.8 | 143.3 | 174.2 | -168.3 | 0 | 0 | 0 | 0 | 110.3 | L137 Q138 F139 | C135-L137 VanDerWaalsContact C-N 3.35Å; C135-L137 PolarHBondContact O-N 3.17Å; C135-Q138 HydrophobicContact CB-CB 3.9Å; C135-Q138 WeakPolarHBondContact O-CB 3.39Å; C135-Q138 PolarHBondContact O-N 3.23Å; C135-F139 PolarHBondContact O-N 3.22Å; C135-F139 VanDerWaalsContact O-N 3.08Å | ||
| 136 | P | 92.4 | Very high | 91.9 | Very high | 63 Ų | 63 | 61.1 Ų | 61.1 | 41% | 0.409 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -45.9 | -54.2 | 170.9 | -32.7 | 38.7 | 0 | 0 | 0 | 113.2 | L117 Q138 F139 E140 | L117-P136 HydrophobicContact CD1-CB 3.56Å; P136-Q138 VanDerWaalsContact C-N 3.26Å; P136-Q138 PolarHBondContact O-N 3.03Å; P136-F139 WeakPolarHBondContact O-CB 3.41Å; P136-F139 PolarHBondContact O-N 2.81Å; P136-E140 PolarHBondContact O-N 3.28Å |
| 137 | L | 92.1 | Very high | 91.8 | Very high | 82 Ų | 82 | 57 Ų | 57 | 43% | 0.429 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.1 | -32.6 | 177.8 | -176.1 | 65.6 | 0 | 0 | 0 | 113.9 | P113 C135 E140 E141 | P113-L137 HydrophobicContact CG-CD1 3.98Å; C135-L137 VanDerWaalsContact C-N 3.35Å; C135-L137 PolarHBondContact O-N 3.17Å; L137-E140 WeakPolarHBondContact CA-OE2 3.39Å; L137-E140 PolarHBondContact O-N 2.96Å; L137-E141 WeakPolarHBondContact O-CB 3.36Å; L137-E141 WeakPolarHBondContact O-CG 3.37Å; L137-E141 PolarHBondContact O-N 3.38Å |
| 138 | Q | 92.9 | Very high | 91.6 | Very high | 57 Ų | 57 | 56 Ų | 56 | 27% | 0.266 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.9 | -36.5 | 176.8 | -176.7 | -172 | 4 | 0 | 0 | 111.2 | I134 C135 P136 M142 | I134-Q138 HydrophobicContact CG1-CB 4.41Å; C135-Q138 HydrophobicContact CB-CB 3.9Å; C135-Q138 WeakPolarHBondContact O-CB 3.39Å; C135-Q138 PolarHBondContact O-N 3.23Å; P136-Q138 VanDerWaalsContact C-N 3.26Å; P136-Q138 PolarHBondContact O-N 3.03Å; Q138-M142 WeakPolarHBondContact O-CG 3.43Å; Q138-M142 PolarHBondContact O-N 3.05Å |
| 139 | F | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.2 | -43.2 | 172.3 | 178.5 | -89.7 | 0 | 0 | 0 | 110.9 | L117 D121 F124 V125 I134 C135 P136 M142 I143 V174 Y177 | L117-F139 HydrophobicContact CD2-CD1 3.35Å; L117-F139 HydrophobicContact CD2-CE1 3.74Å; L117-F139 HydrophobicContact CD2-CG 4.28Å; L117-F139 HydrophobicContact CG-CD1 4.44Å; D121-F139 HydrophobicContact CB-CE1 3.75Å; D121-F139 HydrophobicContact CB-CZ 4.25Å; F124-F139 HydrophobicContact CD1-CD2 4.4Å; F124-F139 AromaticContact CD1-CE2 3.63Å; F124-F139 HydrophobicContact CD1-CE2 3.63Å; F124-F139 HydrophobicContact CD1-CZ 4.12Å; F124-F139 HydrophobicContact CE1-CD2 4.31Å; F124-F139 AromaticContact CE1-CE2 3.64Å; F124-F139 HydrophobicContact CE1-CE2 3.64Å; F124-F139 HydrophobicContact CE1-CZ 4.49Å; V125-F139 HydrophobicContact CG2-CB 3.98Å; V125-F139 HydrophobicContact CG2-CD1 3.98Å; V125-F139 HydrophobicContact CG2-CD2 3.78Å; V125-F139 HydrophobicContact CG2-CE1 4.36Å; V125-F139 HydrophobicContact CG2-CE2 4.21Å; V125-F139 HydrophobicContact CG2-CG 3.63Å; V125-F139 HydrophobicContact CG2-CZ 4.46Å; I134-F139 HydrophobicContact CD1-CB 3.92Å; I134-F139 HydrophobicContact CD1-CD2 4.3Å; I134-F139 HydrophobicContact CG1-CB 4.45Å; C135-F139 PolarHBondContact O-N 3.22Å; C135-F139 VanDerWaalsContact O-N 3.08Å; P136-F139 WeakPolarHBondContact O-CB 3.41Å; P136-F139 PolarHBondContact O-N 2.81Å; F139-M142 PolarHBondContact O-N 2.63Å; F139-M142 VanDerWaalsContact O-N 3.09Å; F139-I143 HydrophobicContact CD1-CG1 3.89Å; F139-I143 HydrophobicContact CD2-CG1 4.49Å; F139-I143 HydrophobicContact CE1-CD1 4.14Å; F139-I143 HydrophobicContact CE1-CG1 3.48Å; F139-I143 VanDerWaalsContact CE1-CG1 3.48Å; F139-I143 HydrophobicContact CE2-CD1 4.04Å; F139-I143 HydrophobicContact CE2-CG1 4.1Å; F139-I143 HydrophobicContact CG-CG1 4.41Å; F139-I143 HydrophobicContact CZ-CD1 3.73Å; F139-I143 HydrophobicContact CZ-CG1 3.6Å; F139-I143 WeakPolarHBondContact O-CG1 3.39Å; F139-I143 PolarHBondContact O-N 2.97Å; F139-V174 HydrophobicContact CD2-CG1 4.24Å; F139-V174 HydrophobicContact CD2-CG2 4.19Å; F139-V174 HydrophobicContact CE2-CG1 4.06Å; F139-V174 HydrophobicContact CE2-CG2 4.38Å; F139-Y177 HydrophobicContact CE2-CD1 4.34Å; F139-Y177 AromaticContact CZ-CD1 3.99Å; F139-Y177 HydrophobicContact CZ-CD1 3.99Å; F139-Y177 AromaticContact CZ-CE1 3.93Å; F139-Y177 HydrophobicContact CZ-CE1 3.93Å |
| 140 | E | 94.9 | Very high | 91.1 | Very high | 32 Ų | 32 | 53.8 Ų | 53.8 | 15% | 0.15 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.4 | -49.4 | 174.9 | -68.2 | 172.2 | 147.1 | 0 | 0 | 111.3 | P113 Y115 L117 P136 L137 M142 I143 D144 | P113-E140 HydrophobicContact CB-CB 4.11Å; P113-E140 HydrophobicContact CG-CB 3.96Å; Y115-E140 VanDerWaalsContact O-CB 3.32Å; Y115-E140 WeakPolarHBondContact O-CB 3.23Å; Y115-E140 VanDerWaalsContact O-CG 3.3Å; Y115-E140 WeakPolarHBondContact O-CG 3.33Å; L117-E140 HydrophobicContact CD1-CG 3.91Å; L117-E140 VanDerWaalsContact CD1-OE1 3.32Å; L117-E140 WeakPolarHBondContact CD1-OE1 3.35Å; L117-E140 HydrophobicContact CD2-CG 4.41Å; L117-E140 HydrophobicContact CG-CG 3.63Å; L117-E140 WeakPolarHBondContact CG-OE1 3.45Å; L117-E140 PolarHBondContact N-OE1 2.82Å; P136-E140 PolarHBondContact O-N 3.28Å; L137-E140 WeakPolarHBondContact CA-OE2 3.39Å; L137-E140 PolarHBondContact O-N 2.96Å; E140-M142 VanDerWaalsContact C-N 3.3Å; E140-M142 PolarHBondContact O-N 3.47Å; E140-I143 PolarHBondContact O-N 3.34Å; E140-D144 WeakPolarHBondContact O-CB 3.33Å; E140-D144 PolarHBondContact O-N 3.33Å |
| 141 | E | 93.7 | Very high | 90.4 | Very high | 65 Ų | 65 | 47.8 Ų | 47.8 | 30% | 0.304 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -55.1 | -40.3 | 171.8 | -80.2 | -178.4 | -147.6 | 0 | 0 | 113.2 | P113 L137 R145 | P113-E141 HydrophobicContact CG-CG 3.87Å; L137-E141 WeakPolarHBondContact O-CB 3.36Å; L137-E141 WeakPolarHBondContact O-CG 3.37Å; L137-E141 PolarHBondContact O-N 3.38Å; E141-R145 WeakPolarHBondContact O-CB 3.35Å; E141-R145 VanDerWaalsContact O-CD 3.26Å; E141-R145 WeakPolarHBondContact O-CD 3.47Å; E141-R145 WeakPolarHBondContact O-CG 3.29Å; E141-R145 PolarHBondContact O-N 3.27Å; E141-R145 IonicContact OE2-CZ 2.85Å; E141-R145 IonicContact OE2-NH1 2.78Å; E141-R145 IonicContact OE2-NH2 3.26Å; E141-R145 PolarHBondContact OE2-NH2 2.97Å |
| 142 | M | 94.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.2 | -44.7 | 179.5 | -71.6 | 173.7 | 82.1 | 0 | 0 | 112 | I134 Q138 F139 E140 L146 L164 E166 L170 I171 V174 | I134-M142 HydrophobicContact CD1-SD 4.37Å; Q138-M142 WeakPolarHBondContact O-CG 3.43Å; Q138-M142 PolarHBondContact O-N 3.05Å; F139-M142 PolarHBondContact O-N 2.63Å; F139-M142 VanDerWaalsContact O-N 3.09Å; E140-M142 VanDerWaalsContact C-N 3.3Å; E140-M142 PolarHBondContact O-N 3.47Å; M142-L146 VanDerWaalsContact O-CG 3.3Å; M142-L146 WeakPolarHBondContact O-CG 3.45Å; M142-L146 PolarHBondContact O-N 3.41Å; M142-L164 HydrophobicContact CB-CD1 4.5Å; M142-L164 HydrophobicContact CB-CD2 4.1Å; M142-L164 HydrophobicContact CE-CD1 3.91Å; M142-L164 HydrophobicContact CG-CD2 4.09Å; M142-E166 HydrophobicContact CE-CB 4.12Å; M142-E166 HydrophobicContact CE-CG 4.21Å; M142-E166 HydrophobicContact CG-CG 4.26Å; M142-E166 HydrophobicContact SD-CB 4.4Å; M142-E166 HydrophobicContact SD-CG 3.91Å; M142-L170 HydrophobicContact CE-CG 4.3Å; M142-L170 HydrophobicContact SD-CD2 4.36Å; M142-I171 HydrophobicContact CE-CG1 4.1Å; M142-V174 HydrophobicContact CB-CG1 4.2Å; M142-V174 HydrophobicContact CE-CB 3.98Å; M142-V174 HydrophobicContact CE-CG1 4.13Å; M142-V174 HydrophobicContact CE-CG2 3.94Å; M142-V174 HydrophobicContact SD-CG2 4.27Å |
| 143 | I | 94.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68 | -42.5 | 178.4 | -60.5 | -61.9 | 0 | 0 | 0 | 111.1 | Y115 F139 E140 R145 L146 E147 V174 W178 L190 | Y115-I143 HydrophobicContact CD1-CB 3.73Å; Y115-I143 HydrophobicContact CD1-CG1 4.34Å; Y115-I143 HydrophobicContact CD1-CG2 3.57Å; Y115-I143 HydrophobicContact CD2-CG2 3.78Å; Y115-I143 HydrophobicContact CE1-CB 4.05Å; Y115-I143 HydrophobicContact CE1-CG1 4.27Å; Y115-I143 HydrophobicContact CE1-CG2 3.63Å; Y115-I143 HydrophobicContact CE2-CG2 3.89Å; Y115-I143 HydrophobicContact CG-CB 4.1Å; Y115-I143 HydrophobicContact CG-CG2 3.64Å; F139-I143 HydrophobicContact CD1-CG1 3.89Å; F139-I143 HydrophobicContact CD2-CG1 4.49Å; F139-I143 HydrophobicContact CE1-CD1 4.14Å; F139-I143 HydrophobicContact CE1-CG1 3.48Å; F139-I143 VanDerWaalsContact CE1-CG1 3.48Å; F139-I143 HydrophobicContact CE2-CD1 4.04Å; F139-I143 HydrophobicContact CE2-CG1 4.1Å; F139-I143 HydrophobicContact CG-CG1 4.41Å; F139-I143 HydrophobicContact CZ-CD1 3.73Å; F139-I143 HydrophobicContact CZ-CG1 3.6Å; F139-I143 WeakPolarHBondContact O-CG1 3.39Å; F139-I143 PolarHBondContact O-N 2.97Å; E140-I143 PolarHBondContact O-N 3.34Å; I143-R145 VanDerWaalsContact C-N 3.35Å; I143-R145 PolarHBondContact O-N 3.28Å; I143-L146 PolarHBondContact O-N 3.01Å; I143-L146 VanDerWaalsContact O-N 3.1Å; I143-E147 HydrophobicContact CG2-CG 4.33Å; I143-E147 PolarHBondContact O-N 3.47Å; I143-V174 HydrophobicContact CD1-CG1 3.94Å; I143-W178 HydrophobicContact CD1-CB 3.76Å; I143-W178 HydrophobicContact CD1-CG 4.09Å; I143-L190 HydrophobicContact CG2-CD1 4.18Å |
| 144 | D | 92.9 | Very high | 88.6 | Confident | 16 Ų | 16 | 51.9 Ų | 51.9 | 9% | 0.086 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.9 | -46.3 | 175.9 | 179.5 | 73.4 | 0 | 0 | 0 | 112 | P113 D114 E140 L146 E147 K148 | P113-D144 HydrophobicContact CB-CB 3.94Å; D114-D144 WeakPolarHBondContact CB-OD1 3.34Å; D114-D144 PolarHBondContact N-OD1 3.29Å; E140-D144 WeakPolarHBondContact O-CB 3.33Å; E140-D144 PolarHBondContact O-N 3.33Å; D144-L146 VanDerWaalsContact C-N 3.34Å; D144-L146 PolarHBondContact O-N 2.97Å; D144-E147 PolarHBondContact O-N 3.47Å; D144-K148 VanDerWaalsContact O-CB 3.29Å; D144-K148 WeakPolarHBondContact O-CB 3.24Å; D144-K148 WeakPolarHBondContact O-CG 3.34Å; D144-K148 PolarHBondContact O-N 3.38Å; D144-K148 WeakPolarHBondContact OD1-CE 3.37Å; D144-K148 IonicContact OD1-NZ 3.01Å; D144-K148 PolarHBondContact OD1-NZ 3.44Å; D144-K148 WeakPolarHBondContact OD2-CD 3.37Å; D144-K148 WeakPolarHBondContact OD2-CE 3.26Å; D144-K148 IonicContact OD2-NZ 3.33Å; D144-K148 PolarHBondContact OD2-NZ 2.8Å |
| 145 | R | 92.2 | Very high | 88.5 | Confident | 75 Ų | 75 | 52.1 Ų | 52.1 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.7 | -37.2 | 175 | -72.4 | 165.7 | -167.6 | 150.8 | 10.9 | 112.8 | E141 I143 G149 L164 E166 | E141-R145 WeakPolarHBondContact O-CB 3.35Å; E141-R145 VanDerWaalsContact O-CD 3.26Å; E141-R145 WeakPolarHBondContact O-CD 3.47Å; E141-R145 WeakPolarHBondContact O-CG 3.29Å; E141-R145 PolarHBondContact O-N 3.27Å; E141-R145 IonicContact OE2-CZ 2.85Å; E141-R145 IonicContact OE2-NH1 2.78Å; E141-R145 IonicContact OE2-NH2 3.26Å; E141-R145 PolarHBondContact OE2-NH2 2.97Å; I143-R145 VanDerWaalsContact C-N 3.35Å; I143-R145 PolarHBondContact O-N 3.28Å; R145-G149 PolarHBondContact O-N 3.3Å; R145-L164 HydrophobicContact CB-CD2 3.8Å; R145-L164 HydrophobicContact CG-CD2 4.42Å; R145-E166 IonicContact NH1-OE1 3.69Å; R145-E166 PolarHBondContact NH1-OE1 3.49Å |
| 146 | L | 92.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73.4 | -39.7 | 178.7 | -68.9 | 171.8 | 0 | 0 | 0 | 112.4 | M142 I143 D144 S150 V155 A160 L164 W178 | M142-L146 VanDerWaalsContact O-CG 3.3Å; M142-L146 WeakPolarHBondContact O-CG 3.45Å; M142-L146 PolarHBondContact O-N 3.41Å; I143-L146 PolarHBondContact O-N 3.01Å; I143-L146 VanDerWaalsContact O-N 3.1Å; D144-L146 VanDerWaalsContact C-N 3.34Å; D144-L146 PolarHBondContact O-N 2.97Å; L146-S150 PolarHBondContact O-N 3.27Å; L146-V155 HydrophobicContact CD2-CG1 4.34Å; L146-V155 WeakPolarHBondContact O-CG2 3.28Å; L146-A160 HydrophobicContact CD2-CB 3.61Å; L146-L164 HydrophobicContact CD1-CD1 4.21Å; L146-L164 HydrophobicContact CD2-CD1 4.17Å; L146-L164 HydrophobicContact CG-CD1 4.2Å; L146-W178 HydrophobicContact CB-CD2 3.89Å; L146-W178 HydrophobicContact CB-CE3 4.27Å; L146-W178 HydrophobicContact CB-CG 4.4Å; L146-W178 HydrophobicContact CB-CH2 4.03Å; L146-W178 HydrophobicContact CB-CZ2 3.67Å; L146-W178 HydrophobicContact CB-CZ3 4.35Å; L146-W178 HydrophobicContact CD1-CB 4.25Å; L146-W178 HydrophobicContact CD1-CD2 3.92Å; L146-W178 HydrophobicContact CD1-CE3 4.06Å; L146-W178 HydrophobicContact CD1-CG 4.02Å; L146-W178 HydrophobicContact CD2-CZ3 4.44Å; L146-W178 HydrophobicContact CG-CD2 4.46Å; L146-W178 WeakPolarHBondContact O-CZ2 3.48Å |
| 147 | E | 91.4 | Very high | 88.5 | Confident | 14 Ų | 14 | 49.7 Ų | 49.7 | 7% | 0.065 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.6 | -43.9 | 173.3 | -74.7 | -65.1 | 110.8 | 0 | 0 | 111.6 | I143 D144 G149 S150 W178 S189 L190 | I143-E147 HydrophobicContact CG2-CG 4.33Å; I143-E147 PolarHBondContact O-N 3.47Å; D144-E147 PolarHBondContact O-N 3.47Å; E147-G149 VanDerWaalsContact C-N 3.33Å; E147-G149 PolarHBondContact O-N 2.89Å; E147-S150 VanDerWaalsContact O-CB 3.23Å; E147-S150 WeakPolarHBondContact O-CB 3.21Å; E147-S150 PolarHBondContact O-N 3.05Å; E147-W178 WeakPolarHBondContact OE1-CZ2 3.41Å; E147-W178 PolarHBondContact OE1-NE1 3.03Å; E147-S189 VanDerWaalsContact OE2-CA 3.25Å; E147-S189 WeakPolarHBondContact OE2-CA 3.38Å; E147-S189 VanDerWaalsContact OE2-CB 3.31Å; E147-S189 WeakPolarHBondContact OE2-CB 3.21Å; E147-S189 PolarHBondContact OE2-OG 2.89Å; E147-L190 HydrophobicContact CG-CB 4.31Å; E147-L190 HydrophobicContact CG-CD1 4.29Å; E147-L190 HydrophobicContact CG-CG 4.46Å; E147-L190 PolarHBondContact OE2-N 3.23Å |
| 148 | K | 89.6 | Confident | 88.3 | Confident | 112 Ų | 112 | 52.1 Ų | 52.1 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.1 | -35.7 | 174.9 | -73.9 | 169.1 | 177.8 | 162.9 | 0 | 112.5 | D114 D144 S150 | D114-K148 WeakPolarHBondContact OD2-CE 3.38Å; D114-K148 IonicContact OD2-NZ 3.64Å; D114-K148 PolarHBondContact OD2-NZ 3.05Å; D144-K148 VanDerWaalsContact O-CB 3.29Å; D144-K148 WeakPolarHBondContact O-CB 3.24Å; D144-K148 WeakPolarHBondContact O-CG 3.34Å; D144-K148 PolarHBondContact O-N 3.38Å; D144-K148 WeakPolarHBondContact OD1-CE 3.37Å; D144-K148 IonicContact OD1-NZ 3.01Å; D144-K148 PolarHBondContact OD1-NZ 3.44Å; D144-K148 WeakPolarHBondContact OD2-CD 3.37Å; D144-K148 WeakPolarHBondContact OD2-CE 3.26Å; D144-K148 IonicContact OD2-NZ 3.33Å; D144-K148 PolarHBondContact OD2-NZ 2.8Å; K148-S150 VanDerWaalsContact C-N 3.33Å |
| 149 | G | 86.6 | Confident | 88.2 | Confident | 38 Ų | 38 | 54.2 Ų | 54.2 | 39% | 0.392 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.9 | -24.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R145 E147 V155 | R145-G149 PolarHBondContact O-N 3.3Å; E147-G149 VanDerWaalsContact C-N 3.33Å; E147-G149 PolarHBondContact O-N 2.89Å; G149-V155 VanDerWaalsContact C-CG2 3.45Å |
| 150 | S | 84.4 | Confident | 88.1 | Confident | 13 Ų | 13 | 54.2 Ų | 54.2 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.3 | -54.7 | -177.9 | 173.5 | 0 | 0 | 0 | 0 | 113.5 | L146 E147 K148 Q152 Q153 R182 | L146-S150 PolarHBondContact O-N 3.27Å; E147-S150 VanDerWaalsContact O-CB 3.23Å; E147-S150 WeakPolarHBondContact O-CB 3.21Å; E147-S150 PolarHBondContact O-N 3.05Å; K148-S150 VanDerWaalsContact C-N 3.33Å; S150-Q152 PolarHBondContact O-N 2.91Å; S150-Q153 CarbonylContact C-O 3.22Å; S150-Q153 WeakPolarHBondContact CA-O 3.33Å; S150-Q153 PolarHBondContact O-N 2.91Å; S150-Q153 VanDerWaalsContact O-N 3.11Å; S150-Q153 PolarHBondContact OG-O 3.49Å; S150-R182 VanDerWaalsContact OG-CZ 3.25Å; S150-R182 PolarHBondContact OG-NH1 3.1Å; S150-R182 PolarHBondContact OG-NH2 3.38Å |
| 151 | G | 74.9 | Confident | 88 | Confident | 57 Ų | 57 | 56.3 Ų | 56.3 | 59% | 0.588 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | -117.2 | -157.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 152 | Q | 68.2 | Low | 87.8 | Confident | 189 Ų | 189 | 60.5 Ų | 60.5 | 88% | 0.883 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -4 | -176.3 | -61.6 | -175 | 5.9 | 0 | 0 | 115.7 | S150 | S150-Q152 PolarHBondContact O-N 2.91Š|
| 153 | Q | 77.4 | Confident | 87.6 | Confident | 140 Ų | 140 | 63.9 Ų | 63.9 | 65% | 0.654 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -131.8 | 153.7 | -175.2 | -70.1 | -61.9 | -36.7 | 0 | 0 | 111.6 | S150 V155 | S150-Q153 CarbonylContact C-O 3.22Å; S150-Q153 WeakPolarHBondContact CA-O 3.33Å; S150-Q153 PolarHBondContact O-N 2.91Å; S150-Q153 VanDerWaalsContact O-N 3.11Å; S150-Q153 PolarHBondContact OG-O 3.49Å; Q153-V155 PolarHBondContact O-N 2.8Å |
| 154 | P | 80 | Confident | 87.5 | Confident | 70 Ų | 70 | 64.2 Ų | 64.2 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 119.7 | 173.3 | 27.7 | -31.9 | 0 | 0 | 0 | 110.9 | S156 I179 | P154-S156 PolarHBondContact O-N 3.47Å; P154-I179 HydrophobicContact CB-CD1 3.65Å |
| 155 | V | 87.6 | Confident | 87.3 | Confident | 6 Ų | 6 | 72.7 Ų | 72.7 | 4% | 0.036 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -50.9 | 135.7 | 165.3 | -174 | 0 | 0 | 0 | 0 | 108.5 | L146 G149 Q153 E159 A160 L163 Y175 W178 | L146-V155 HydrophobicContact CD2-CG1 4.34Å; L146-V155 WeakPolarHBondContact O-CG2 3.28Å; G149-V155 VanDerWaalsContact C-CG2 3.45Å; Q153-V155 PolarHBondContact O-N 2.8Å; V155-E159 HydrophobicContact CG1-CB 3.54Å; V155-A160 HydrophobicContact CG1-CB 4.37Å; V155-L163 HydrophobicContact CG1-CD1 3.95Å; V155-L163 HydrophobicContact CG2-CD1 4.5Å; V155-Y175 VanDerWaalsContact O-CE2 3.3Å; V155-Y175 WeakPolarHBondContact O-CE2 3.36Å; V155-Y175 PolarHBondContact O-OH 2.72Å; V155-W178 HydrophobicContact CB-CH2 3.72Å; V155-W178 HydrophobicContact CB-CZ3 4.05Å; V155-W178 HydrophobicContact CG2-CH2 3.8Å |
| 156 | S | 91.2 | Very high | 87.2 | Confident | 37 Ų | 37 | 70.9 Ų | 70.9 | 26% | 0.259 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -82.2 | 163.5 | 173.3 | 65.8 | 0 | 0 | 0 | 0 | 112.3 | P154 Q158 E159 A160 | P154-S156 PolarHBondContact O-N 3.47Å; S156-Q158 PolarHBondContact O-N 2.92Å; S156-E159 VanDerWaalsContact CB-OE2 3.24Å; S156-E159 WeakPolarHBondContact CB-OE2 3.2Å; S156-E159 PolarHBondContact N-OE2 3.5Å; S156-E159 PolarHBondContact O-N 3.44Å; S156-E159 VanDerWaalsContact O-N 3.13Å; S156-E159 VanDerWaalsContact OG-CD 3.29Å; S156-E159 WeakPolarHBondContact OG-CG 3.37Å; S156-E159 PolarHBondContact OG-N 3.24Å; S156-E159 PolarHBondContact OG-OE2 3.21Å; S156-A160 WeakPolarHBondContact O-CB 3.29Å; S156-A160 PolarHBondContact O-N 2.95Å |
| 157 | L | 91.4 | Very high | 87.1 | Confident | 39 Ų | 39 | 76.6 Ų | 76.6 | 20% | 0.204 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.3 | -30.3 | 176.4 | -179.1 | 61.2 | 0 | 0 | 0 | 112.3 | K161 I171 R172 Y175 | L157-K161 VanDerWaalsContact O-CG 3.32Å; L157-K161 WeakPolarHBondContact O-CG 3.49Å; L157-K161 PolarHBondContact O-N 3.01Å; L157-I171 HydrophobicContact CD1-CG2 4.45Å; L157-R172 HydrophobicContact CD2-CG 4.43Å; L157-Y175 HydrophobicContact CB-CD1 4.21Å; L157-Y175 HydrophobicContact CB-CE1 3.89Å; L157-Y175 HydrophobicContact CB-CE2 4.43Å; L157-Y175 HydrophobicContact CD1-CD1 3.78Å; L157-Y175 HydrophobicContact CD1-CD2 4.46Å; L157-Y175 HydrophobicContact CD1-CE1 4.35Å; L157-Y175 HydrophobicContact CD1-CG 3.85Å; L157-Y175 PolarHBondContact N-OH 3.01Å |
| 158 | Q | 89.8 | Confident | 87.1 | Confident | 134 Ų | 134 | 79.7 Ų | 79.7 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -70.3 | -41.3 | 175.4 | -73.6 | 76.7 | 2.6 | 0 | 0 | 112 | S156 K161 | S156-Q158 PolarHBondContact O-N 2.92Å; Q158-K161 PolarHBondContact O-N 3.08Å |
| 159 | E | 90.7 | Very high | 87.2 | Confident | 100 Ų | 100 | 80.2 Ų | 80.2 | 47% | 0.467 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -72.4 | -37 | 176.2 | -69.1 | 158 | 134.9 | 0 | 0 | 111.4 | V155 S156 K161 L162 L163 | V155-E159 HydrophobicContact CG1-CB 3.54Å; S156-E159 VanDerWaalsContact CB-OE2 3.24Å; S156-E159 WeakPolarHBondContact CB-OE2 3.2Å; S156-E159 PolarHBondContact N-OE2 3.5Å; S156-E159 PolarHBondContact O-N 3.44Å; S156-E159 VanDerWaalsContact O-N 3.13Å; S156-E159 VanDerWaalsContact OG-CD 3.29Å; S156-E159 WeakPolarHBondContact OG-CG 3.37Å; S156-E159 PolarHBondContact OG-N 3.24Å; S156-E159 PolarHBondContact OG-OE2 3.21Å; E159-K161 VanDerWaalsContact C-N 3.28Å; E159-K161 PolarHBondContact O-N 3.18Å; E159-L162 PolarHBondContact O-N 2.7Å; E159-L163 WeakPolarHBondContact O-CG 3.46Å; E159-L163 PolarHBondContact O-N 3.14Å |
| 160 | A | 91.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -53.9 | -45.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L146 V155 S156 L162 L163 L164 I171 Y175 | L146-A160 HydrophobicContact CD2-CB 3.61Å; V155-A160 HydrophobicContact CG1-CB 4.37Å; S156-A160 WeakPolarHBondContact O-CB 3.29Å; S156-A160 PolarHBondContact O-N 2.95Å; A160-L162 PolarHBondContact O-N 3.06Å; A160-L163 PolarHBondContact O-N 3.25Å; A160-L164 WeakPolarHBondContact O-CB 3.17Å; A160-L164 VanDerWaalsContact O-CG 3.3Å; A160-L164 WeakPolarHBondContact O-CG 3.4Å; A160-L164 PolarHBondContact O-N 3.42Å; A160-I171 HydrophobicContact CB-CG2 4.4Å; A160-Y175 HydrophobicContact CB-CD2 3.72Å; A160-Y175 HydrophobicContact CB-CE2 4.26Å |
| 161 | K | 92.1 | Very high | 88 | Confident | 77 Ų | 77 | 78.3 Ų | 78.3 | 34% | 0.335 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65 | -12.6 | 174.7 | -72.5 | 174.9 | 173.2 | -145.3 | 0 | 115.6 | L157 Q158 E159 D168 I171 | L157-K161 VanDerWaalsContact O-CG 3.32Å; L157-K161 WeakPolarHBondContact O-CG 3.49Å; L157-K161 PolarHBondContact O-N 3.01Å; Q158-K161 PolarHBondContact O-N 3.08Å; E159-K161 VanDerWaalsContact C-N 3.28Å; E159-K161 PolarHBondContact O-N 3.18Å; K161-D168 WeakPolarHBondContact CE-OD1 3.28Å; K161-D168 IonicContact NZ-OD1 2.6Å; K161-D168 PolarHBondContact NZ-OD1 3.45Å; K161-D168 IonicContact NZ-OD2 2.74Å; K161-D168 PolarHBondContact NZ-OD2 2.71Å; K161-I171 HydrophobicContact CG-CG2 3.91Å |
| 162 | L | 91.2 | Very high | 88.9 | Confident | 152 Ų | 152 | 80.3 Ų | 80.3 | 80% | 0.796 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -100.2 | -25.6 | 175.8 | -64.8 | 172.5 | 0 | 0 | 0 | 112.3 | E159 A160 | E159-L162 PolarHBondContact O-N 2.7Å; A160-L162 PolarHBondContact O-N 3.06Å |
| 163 | L | 90.1 | Very high | 90.2 | Very high | 72 Ų | 72 | 74.6 Ų | 74.6 | 38% | 0.377 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -83 | -34.2 | 174.5 | -65 | 169.6 | 0 | 0 | 0 | 112.2 | V155 E159 A160 | V155-L163 HydrophobicContact CG1-CD1 3.95Å; V155-L163 HydrophobicContact CG2-CD1 4.5Å; E159-L163 WeakPolarHBondContact O-CG 3.46Å; E159-L163 PolarHBondContact O-N 3.14Å; A160-L163 PolarHBondContact O-N 3.25Å |
| 164 | L | 91.3 | Very high | 91 | Very high | 8 Ų | 8 | 67.9 Ų | 67.9 | 4% | 0.042 | 33% | 0.333 | C | S | . | . | trans | -94.6 | 154.6 | -177.6 | -61.8 | -175.6 | 0 | 0 | 0 | 111.2 | M142 R145 L146 A160 E166 I171 | M142-L164 HydrophobicContact CB-CD1 4.5Å; M142-L164 HydrophobicContact CB-CD2 4.1Å; M142-L164 HydrophobicContact CE-CD1 3.91Å; M142-L164 HydrophobicContact CG-CD2 4.09Å; R145-L164 HydrophobicContact CB-CD2 3.8Å; R145-L164 HydrophobicContact CG-CD2 4.42Å; L146-L164 HydrophobicContact CD1-CD1 4.21Å; L146-L164 HydrophobicContact CD2-CD1 4.17Å; L146-L164 HydrophobicContact CG-CD1 4.2Å; A160-L164 WeakPolarHBondContact O-CB 3.17Å; A160-L164 VanDerWaalsContact O-CG 3.3Å; A160-L164 WeakPolarHBondContact O-CG 3.4Å; A160-L164 PolarHBondContact O-N 3.42Å; L164-E166 WeakPolarHBondContact CA-OE2 3.28Å; L164-E166 VanDerWaalsContact CB-OE2 3.26Å; L164-E166 WeakPolarHBondContact CB-OE2 3.47Å; L164-I171 HydrophobicContact CB-CD1 3.69Å; L164-I171 HydrophobicContact CB-CG1 3.87Å; L164-I171 HydrophobicContact CD1-CB 4.5Å; L164-I171 HydrophobicContact CD1-CG1 4.01Å; L164-I171 HydrophobicContact CD1-CG2 4.16Å | ||
| 165 | K | 87.8 | Confident | 91.7 | Very high | 193 Ų | 193 | 65.9 Ų | 65.9 | 84% | 0.839 | 32% | 0.317 | S | S | * | . | trans | -125.7 | 9.8 | -174.3 | -64 | -179.6 | -177 | 171.4 | 0 | 113 | ||||
| 166 | E | 90.6 | Very high | 92.1 | Very high | 37 Ų | 37 | 70.7 Ų | 70.7 | 17% | 0.173 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -93.4 | 179.6 | -177.6 | -60.1 | 73.9 | -155.9 | 0 | 0 | 111.3 | M142 R145 L164 L170 I171 | M142-E166 HydrophobicContact CE-CB 4.12Å; M142-E166 HydrophobicContact CE-CG 4.21Å; M142-E166 HydrophobicContact CG-CG 4.26Å; M142-E166 HydrophobicContact SD-CB 4.4Å; M142-E166 HydrophobicContact SD-CG 3.91Å; R145-E166 IonicContact NH1-OE1 3.69Å; R145-E166 PolarHBondContact NH1-OE1 3.49Å; L164-E166 WeakPolarHBondContact CA-OE2 3.28Å; L164-E166 VanDerWaalsContact CB-OE2 3.26Å; L164-E166 WeakPolarHBondContact CB-OE2 3.47Å; E166-L170 HydrophobicContact CB-CD2 4.26Å; E166-I171 HydrophobicContact CB-CG1 4.24Å; E166-I171 WeakPolarHBondContact O-CD1 3.35Å |
| 167 | D | 90.8 | Very high | 92.3 | Very high | 120 Ų | 120 | 69.8 Ų | 69.8 | 64% | 0.642 | 33% | 0.33 | S | S | * | . | trans | -66.6 | 145.2 | -176.7 | -72.7 | -55.9 | 0 | 0 | 0 | 113.8 | E169 L170 I171 | D167-E169 PolarHBondContact O-N 3.15Å; D167-L170 HydrophobicContact CB-CB 4.34Å; D167-L170 PolarHBondContact O-N 3.31Å; D167-I171 WeakPolarHBondContact O-CG1 3.44Å; D167-I171 PolarHBondContact O-N 3.31Å | ||
| 168 | D | 91.3 | Very high | 92.4 | Very high | 79 Ų | 79 | 67.9 Ų | 67.9 | 42% | 0.422 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.2 | -22.5 | -174.1 | -155.8 | 80.2 | 0 | 0 | 0 | 114.4 | K161 R172 | K161-D168 WeakPolarHBondContact CE-OD1 3.28Å; K161-D168 IonicContact NZ-OD1 2.6Å; K161-D168 PolarHBondContact NZ-OD1 3.45Å; K161-D168 IonicContact NZ-OD2 2.74Å; K161-D168 PolarHBondContact NZ-OD2 2.71Å; D168-R172 PolarHBondContact O-NH2 3.2Å; D168-R172 VanDerWaalsContact O-NH2 3.12Å; D168-R172 IonicContact OD2-NH2 2.97Å; D168-R172 PolarHBondContact OD2-NH2 2.93Å |
| 169 | E | 91.7 | Very high | 92.6 | Very high | 124 Ų | 124 | 61.9 Ų | 61.9 | 58% | 0.579 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -85.8 | -38.5 | 172.9 | -59.5 | -166.4 | 156.5 | 0 | 0 | 112.8 | M132 D167 R172 E173 | M132-E169 HydrophobicContact CE-CB 3.84Å; D167-E169 PolarHBondContact O-N 3.15Å; E169-R172 WeakPolarHBondContact O-CB 3.39Å; E169-R172 PolarHBondContact O-N 3.03Å; E169-E173 PolarHBondContact O-N 3.35Å |
| 170 | L | 93.3 | Very high | 92.7 | Very high | 6 Ų | 6 | 62.3 Ų | 62.3 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.6 | -45.5 | 179.2 | -172.5 | 66.7 | 0 | 0 | 0 | 110.4 | L128 M132 I134 M142 E166 D167 R172 E173 V174 | L128-L170 HydrophobicContact CD1-CD1 4.26Å; L128-L170 HydrophobicContact CD2-CD1 3.84Å; L128-L170 HydrophobicContact CG-CD1 4.22Å; M132-L170 HydrophobicContact CB-CD1 4.21Å; M132-L170 HydrophobicContact CE-CB 3.95Å; M132-L170 HydrophobicContact CE-CD1 4.45Å; M132-L170 HydrophobicContact SD-CB 4.22Å; M132-L170 HydrophobicContact SD-CD1 3.82Å; I134-L170 HydrophobicContact CD1-CD1 4.23Å; I134-L170 HydrophobicContact CD1-CD2 4.34Å; M142-L170 HydrophobicContact CE-CG 4.3Å; M142-L170 HydrophobicContact SD-CD2 4.36Å; E166-L170 HydrophobicContact CB-CD2 4.26Å; D167-L170 HydrophobicContact CB-CB 4.34Å; D167-L170 PolarHBondContact O-N 3.31Å; L170-R172 PolarHBondContact O-N 2.92Å; L170-E173 PolarHBondContact O-N 3.47Å; L170-V174 HydrophobicContact CG-CG2 4.5Å; L170-V174 WeakPolarHBondContact O-CB 3.37Å; L170-V174 WeakPolarHBondContact O-CG2 3.14Å; L170-V174 PolarHBondContact O-N 3.34Å |
| 171 | I | 94.5 | Very high | 92.7 | Very high | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -51.9 | -41.3 | 171.7 | -71.7 | 172.8 | 0 | 0 | 0 | 110.5 | M142 L157 A160 K161 L164 E166 D167 Y175 | M142-I171 HydrophobicContact CE-CG1 4.1Å; L157-I171 HydrophobicContact CD1-CG2 4.45Å; A160-I171 HydrophobicContact CB-CG2 4.4Å; K161-I171 HydrophobicContact CG-CG2 3.91Å; L164-I171 HydrophobicContact CB-CD1 3.69Å; L164-I171 HydrophobicContact CB-CG1 3.87Å; L164-I171 HydrophobicContact CD1-CB 4.5Å; L164-I171 HydrophobicContact CD1-CG1 4.01Å; L164-I171 HydrophobicContact CD1-CG2 4.16Å; E166-I171 HydrophobicContact CB-CG1 4.24Å; E166-I171 WeakPolarHBondContact O-CD1 3.35Å; D167-I171 WeakPolarHBondContact O-CG1 3.44Å; D167-I171 PolarHBondContact O-N 3.31Å; I171-Y175 WeakPolarHBondContact O-CB 3.44Å; I171-Y175 PolarHBondContact O-N 3.36Å |
| 172 | R | 94.4 | Very high | 92.6 | Very high | 100 Ų | 100 | 61 Ų | 61 | 38% | 0.377 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68 | -48.3 | -178 | -164.2 | -173.7 | -50.7 | 117.1 | 8.7 | 112.6 | L157 D168 E169 L170 Y175 E176 | L157-R172 HydrophobicContact CD2-CG 4.43Å; D168-R172 PolarHBondContact O-NH2 3.2Å; D168-R172 VanDerWaalsContact O-NH2 3.12Å; D168-R172 IonicContact OD2-NH2 2.97Å; D168-R172 PolarHBondContact OD2-NH2 2.93Å; E169-R172 WeakPolarHBondContact O-CB 3.39Å; E169-R172 PolarHBondContact O-N 3.03Å; L170-R172 PolarHBondContact O-N 2.92Å; R172-Y175 PolarHBondContact O-N 2.92Å; R172-E176 WeakPolarHBondContact O-CG 3.44Å; R172-E176 PolarHBondContact O-N 3.43Å |
| 173 | E | 94.9 | Very high | 92.5 | Very high | 68 Ų | 68 | 61.1 Ų | 61.1 | 32% | 0.318 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -70.9 | -36.5 | -179.2 | -169.8 | 131.5 | 147 | 0 | 0 | 111.9 | F124 L128 K131 E169 L170 Y177 | F124-E173 HydrophobicContact CE2-CG 4.14Å; F124-E173 HydrophobicContact CZ-CG 3.91Å; L128-E173 HydrophobicContact CD1-CG 4.34Å; K131-E173 IonicContact NZ-OE1 2.64Å; K131-E173 PolarHBondContact NZ-OE1 2.79Å; K131-E173 IonicContact NZ-OE2 3.14Å; K131-E173 PolarHBondContact NZ-OE2 2.65Å; E169-E173 PolarHBondContact O-N 3.35Å; L170-E173 PolarHBondContact O-N 3.47Å; E173-Y177 WeakPolarHBondContact O-CB 3.46Å; E173-Y177 PolarHBondContact O-N 3.36Å; E173-Y177 VanDerWaalsContact O-N 3.14Å |
| 174 | V | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 173 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | F124 L128 I134 F139 M142 I143 L170 Y177 W178 | F124-V174 HydrophobicContact CE1-CG2 4.43Å; L128-V174 HydrophobicContact CD2-CG2 4.03Å; I134-V174 HydrophobicContact CD1-CG2 4.47Å; F139-V174 HydrophobicContact CD2-CG1 4.24Å; F139-V174 HydrophobicContact CD2-CG2 4.19Å; F139-V174 HydrophobicContact CE2-CG1 4.06Å; F139-V174 HydrophobicContact CE2-CG2 4.38Å; M142-V174 HydrophobicContact CB-CG1 4.2Å; M142-V174 HydrophobicContact CE-CB 3.98Å; M142-V174 HydrophobicContact CE-CG1 4.13Å; M142-V174 HydrophobicContact CE-CG2 3.94Å; M142-V174 HydrophobicContact SD-CG2 4.27Å; I143-V174 HydrophobicContact CD1-CG1 3.94Å; L170-V174 HydrophobicContact CG-CG2 4.5Å; L170-V174 WeakPolarHBondContact O-CB 3.37Å; L170-V174 WeakPolarHBondContact O-CG2 3.14Å; L170-V174 PolarHBondContact O-N 3.34Å; V174-Y177 PolarHBondContact O-N 2.99Å; V174-W178 VanDerWaalsContact O-CB 3.3Å; V174-W178 WeakPolarHBondContact O-CB 3.32Å; V174-W178 PolarHBondContact O-N 3Å |
| 175 | Y | 95.2 | Very high | 92.3 | Very high | 27 Ų | 27 | 65 Ų | 65 | 11% | 0.106 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.8 | -47 | 177 | 171.5 | -89.8 | 0 | 0 | 0 | 112.5 | V155 L157 A160 I171 R172 Y177 W178 I179 | V155-Y175 VanDerWaalsContact O-CE2 3.3Å; V155-Y175 WeakPolarHBondContact O-CE2 3.36Å; V155-Y175 PolarHBondContact O-OH 2.72Å; L157-Y175 HydrophobicContact CB-CD1 4.21Å; L157-Y175 HydrophobicContact CB-CE1 3.89Å; L157-Y175 HydrophobicContact CB-CE2 4.43Å; L157-Y175 HydrophobicContact CD1-CD1 3.78Å; L157-Y175 HydrophobicContact CD1-CD2 4.46Å; L157-Y175 HydrophobicContact CD1-CE1 4.35Å; L157-Y175 HydrophobicContact CD1-CG 3.85Å; L157-Y175 PolarHBondContact N-OH 3.01Å; A160-Y175 HydrophobicContact CB-CD2 3.72Å; A160-Y175 HydrophobicContact CB-CE2 4.26Å; I171-Y175 WeakPolarHBondContact O-CB 3.44Å; I171-Y175 PolarHBondContact O-N 3.36Å; R172-Y175 PolarHBondContact O-N 2.92Å; Y175-Y177 VanDerWaalsContact C-N 3.3Å; Y175-Y177 PolarHBondContact O-N 3.35Å; Y175-W178 HydrophobicContact CD2-CE3 4.05Å; Y175-W178 HydrophobicContact CD2-CZ3 4.12Å; Y175-W178 HydrophobicContact CE2-CE3 4.27Å; Y175-W178 AromaticContact CE2-CZ3 3.96Å; Y175-W178 HydrophobicContact CE2-CZ3 3.96Å; Y175-W178 PolarHBondContact O-N 3.2Å; Y175-I179 HydrophobicContact CD1-CG2 4.46Å; Y175-I179 HydrophobicContact CE1-CG2 4.18Å; Y175-I179 WeakPolarHBondContact O-CB 3.33Å; Y175-I179 VanDerWaalsContact O-CG2 3.26Å; Y175-I179 WeakPolarHBondContact O-CG2 3.38Å; Y175-I179 PolarHBondContact O-N 2.88Å |
| 176 | E | 95.2 | Very high | 91.8 | Very high | 107 Ų | 107 | 67.9 Ų | 67.9 | 50% | 0.5 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65 | -34.5 | 179.3 | -74.3 | -60.2 | 142.4 | 0 | 0 | 112.2 | R172 K180 | R172-E176 WeakPolarHBondContact O-CG 3.44Å; R172-E176 PolarHBondContact O-N 3.43Å; E176-K180 WeakPolarHBondContact O-CB 3.38Å; E176-K180 PolarHBondContact O-N 3.4Å |
| 177 | Y | 95 | Very high | 91.2 | Very high | 18 Ų | 18 | 68 Ų | 68 | 7% | 0.071 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.6 | -52.2 | 170.2 | 175.2 | -95 | 0 | 0 | 0 | 111.7 | E120 D121 F124 F139 E173 V174 Y175 I179 K180 K181 | E120-Y177 HydrophobicContact CG-CE2 4.33Å; E120-Y177 WeakPolarHBondContact CG-OH 3.36Å; D121-Y177 WeakPolarHBondContact OD1-CE1 3.38Å; D121-Y177 PolarHBondContact OD1-OH 3.08Å; D121-Y177 VanDerWaalsContact OD1-OH 3.11Å; F124-Y177 HydrophobicContact CB-CD2 4.14Å; F124-Y177 HydrophobicContact CB-CE2 3.89Å; F124-Y177 HydrophobicContact CD1-CD1 4.07Å; F124-Y177 HydrophobicContact CD1-CD2 4.29Å; F124-Y177 HydrophobicContact CD1-CE1 4.48Å; F124-Y177 AromaticContact CD1-CG 3.99Å; F124-Y177 HydrophobicContact CD1-CG 3.99Å; F124-Y177 AromaticContact CD2-CD2 3.46Å; F124-Y177 HydrophobicContact CD2-CD2 3.46Å; F124-Y177 VanDerWaalsContact CD2-CD2 3.46Å; F124-Y177 HydrophobicContact CD2-CE2 4.09Å; F124-Y177 AromaticContact CD2-CG 3.79Å; F124-Y177 HydrophobicContact CD2-CG 3.79Å; F124-Y177 HydrophobicContact CE1-CD1 4.27Å; F124-Y177 HydrophobicContact CE1-CG 4.06Å; F124-Y177 AromaticContact CE2-CD2 3.9Å; F124-Y177 HydrophobicContact CE2-CD2 3.9Å; F124-Y177 AromaticContact CE2-CG 3.86Å; F124-Y177 HydrophobicContact CE2-CG 3.86Å; F124-Y177 HydrophobicContact CG-CD1 4.25Å; F124-Y177 AromaticContact CG-CD2 3.69Å; F124-Y177 HydrophobicContact CG-CD2 3.69Å; F124-Y177 AromaticContact CG-CE2 3.97Å; F124-Y177 HydrophobicContact CG-CE2 3.97Å; F124-Y177 AromaticContact CG-CG 3.85Å; F124-Y177 HydrophobicContact CG-CG 3.85Å; F124-Y177 HydrophobicContact CZ-CD2 4.47Å; F124-Y177 AromaticContact CZ-CG 3.98Å; F124-Y177 HydrophobicContact CZ-CG 3.98Å; F139-Y177 HydrophobicContact CE2-CD1 4.34Å; F139-Y177 AromaticContact CZ-CD1 3.99Å; F139-Y177 HydrophobicContact CZ-CD1 3.99Å; F139-Y177 AromaticContact CZ-CE1 3.93Å; F139-Y177 HydrophobicContact CZ-CE1 3.93Å; E173-Y177 WeakPolarHBondContact O-CB 3.46Å; E173-Y177 PolarHBondContact O-N 3.36Å; E173-Y177 VanDerWaalsContact O-N 3.14Å; V174-Y177 PolarHBondContact O-N 2.99Å; Y175-Y177 VanDerWaalsContact C-N 3.3Å; Y175-Y177 PolarHBondContact O-N 3.35Å; Y177-I179 PolarHBondContact O-N 3.03Å; Y177-K180 WeakPolarHBondContact O-CB 3.48Å; Y177-K180 PolarHBondContact O-N 3.21Å; Y177-K181 HydrophobicContact CE1-CB 4.46Å; Y177-K181 HydrophobicContact CE1-CD 3.88Å; Y177-K181 PolarHBondContact O-N 3.39Å; Y177-K181 PolarHBondContact OH-NZ 2.86Å |
| 178 | W | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.6 | -48.3 | -178.4 | 169 | 75.4 | 0 | 0 | 0 | 112.9 | I143 L146 E147 V155 V174 Y175 K180 K181 R182 L190 | I143-W178 HydrophobicContact CD1-CB 3.76Å; I143-W178 HydrophobicContact CD1-CG 4.09Å; L146-W178 HydrophobicContact CB-CD2 3.89Å; L146-W178 HydrophobicContact CB-CE3 4.27Å; L146-W178 HydrophobicContact CB-CG 4.4Å; L146-W178 HydrophobicContact CB-CH2 4.03Å; L146-W178 HydrophobicContact CB-CZ2 3.67Å; L146-W178 HydrophobicContact CB-CZ3 4.35Å; L146-W178 HydrophobicContact CD1-CB 4.25Å; L146-W178 HydrophobicContact CD1-CD2 3.92Å; L146-W178 HydrophobicContact CD1-CE3 4.06Å; L146-W178 HydrophobicContact CD1-CG 4.02Å; L146-W178 HydrophobicContact CD2-CZ3 4.44Å; L146-W178 HydrophobicContact CG-CD2 4.46Å; L146-W178 WeakPolarHBondContact O-CZ2 3.48Å; E147-W178 WeakPolarHBondContact OE1-CZ2 3.41Å; E147-W178 PolarHBondContact OE1-NE1 3.03Å; V155-W178 HydrophobicContact CB-CH2 3.72Å; V155-W178 HydrophobicContact CB-CZ3 4.05Å; V155-W178 HydrophobicContact CG2-CH2 3.8Å; V174-W178 VanDerWaalsContact O-CB 3.3Å; V174-W178 WeakPolarHBondContact O-CB 3.32Å; V174-W178 PolarHBondContact O-N 3Å; Y175-W178 HydrophobicContact CD2-CE3 4.05Å; Y175-W178 HydrophobicContact CD2-CZ3 4.12Å; Y175-W178 HydrophobicContact CE2-CE3 4.27Å; Y175-W178 AromaticContact CE2-CZ3 3.96Å; Y175-W178 HydrophobicContact CE2-CZ3 3.96Å; Y175-W178 PolarHBondContact O-N 3.2Å; W178-K180 PolarHBondContact O-N 2.78Å; W178-K181 PolarHBondContact O-N 2.93Å; W178-K181 VanDerWaalsContact O-N 3.13Å; W178-R182 WeakPolarHBondContact O-CB 3.21Å; W178-R182 PolarHBondContact O-N 2.88Å; W178-L190 VanDerWaalsContact CD1-CD1 3.49Å |
| 179 | I | 92.6 | Very high | 90.5 | Very high | 8 Ų | 8 | 65.1 Ų | 65.1 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.2 | -30.1 | -178.7 | -165.9 | 57.9 | 0 | 0 | 0 | 111.6 | P154 Y175 Y177 K183 | P154-I179 HydrophobicContact CB-CD1 3.65Å; Y175-I179 HydrophobicContact CD1-CG2 4.46Å; Y175-I179 HydrophobicContact CE1-CG2 4.18Å; Y175-I179 WeakPolarHBondContact O-CB 3.33Å; Y175-I179 VanDerWaalsContact O-CG2 3.26Å; Y175-I179 WeakPolarHBondContact O-CG2 3.38Å; Y175-I179 PolarHBondContact O-N 2.88Å; Y177-I179 PolarHBondContact O-N 3.03Å; I179-K183 HydrophobicContact CG1-CD 4.43Å; I179-K183 WeakPolarHBondContact O-CB 3.43Å; I179-K183 VanDerWaalsContact O-CD 3.31Å; I179-K183 WeakPolarHBondContact O-CD 3.44Å; I179-K183 WeakPolarHBondContact O-CG 3.38Å; I179-K183 PolarHBondContact O-N 3.29Å; I179-K183 VanDerWaalsContact O-N 3.08Å |
| 180 | K | 93.7 | Very high | 90.3 | Very high | 108 Ų | 108 | 60.4 Ų | 60.4 | 47% | 0.47 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.1 | -49 | 170.2 | 178.1 | -162.7 | 168 | -131.4 | 0 | 110.9 | E120 E176 Y177 W178 R182 K183 N184 | E120-K180 IonicContact OE1-NZ 2.74Å; E176-K180 WeakPolarHBondContact O-CB 3.38Å; E176-K180 PolarHBondContact O-N 3.4Å; Y177-K180 WeakPolarHBondContact O-CB 3.48Å; Y177-K180 PolarHBondContact O-N 3.21Å; W178-K180 PolarHBondContact O-N 2.78Å; K180-R182 VanDerWaalsContact C-N 3.33Å; K180-R182 PolarHBondContact O-N 2.89Å; K180-K183 PolarHBondContact O-N 3.38Å; K180-N184 PolarHBondContact O-N 3.03Å |
| 181 | K | 92.5 | Very high | 90.1 | Very high | 17 Ų | 17 | 62.6 Ų | 62.6 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.2 | -46.7 | 178.4 | -162.1 | 179.6 | -166.3 | 171.3 | 0 | 111 | Y115 D118 D121 Y177 W178 K183 N184 C185 L190 | Y115-K181 PolarHBondContact OH-NZ 2.93Å; D118-K181 IonicContact OD1-NZ 2.8Å; D118-K181 PolarHBondContact OD1-NZ 3.41Å; D118-K181 WeakPolarHBondContact OD2-CE 3.49Å; D118-K181 IonicContact OD2-NZ 3.05Å; D118-K181 PolarHBondContact OD2-NZ 3.13Å; D121-K181 IonicContact OD1-NZ 2.7Å; D121-K181 PolarHBondContact OD1-NZ 2.98Å; D121-K181 IonicContact OD2-NZ 2.72Å; D121-K181 PolarHBondContact OD2-NZ 3.04Å; Y177-K181 HydrophobicContact CE1-CB 4.46Å; Y177-K181 HydrophobicContact CE1-CD 3.88Å; Y177-K181 PolarHBondContact O-N 3.39Å; Y177-K181 PolarHBondContact OH-NZ 2.86Å; W178-K181 PolarHBondContact O-N 2.93Å; W178-K181 VanDerWaalsContact O-N 3.13Å; K181-K183 PolarHBondContact O-N 3.1Å; K181-N184 CarbonylContact O-C 3.5Å; K181-N184 WeakPolarHBondContact O-CB 3.26Å; K181-N184 PolarHBondContact O-N 3.01Å; K181-N184 VanDerWaalsContact O-N 3.12Å; K181-C185 PolarHBondContact O-N 3.36Å; K181-L190 HydrophobicContact CB-CD2 4.29Å; K181-L190 HydrophobicContact CD-CD1 4.25Å; K181-L190 HydrophobicContact CD-CD2 4.21Å; K181-L190 HydrophobicContact CG-CD2 3.88Å |
| 182 | R | 89.3 | Confident | 89.8 | Confident | 32 Ų | 32 | 68.5 Ų | 68.5 | 12% | 0.121 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -74.3 | -23.3 | -179.7 | -168.8 | -101.7 | -77.5 | -116.5 | -21.8 | 114.2 | S150 W178 K180 L190 | S150-R182 VanDerWaalsContact OG-CZ 3.25Å; S150-R182 PolarHBondContact OG-NH1 3.1Å; S150-R182 PolarHBondContact OG-NH2 3.38Å; W178-R182 WeakPolarHBondContact O-CB 3.21Å; W178-R182 PolarHBondContact O-N 2.88Å; K180-R182 VanDerWaalsContact C-N 3.33Å; K180-R182 PolarHBondContact O-N 2.89Å; R182-L190 HydrophobicContact CB-CD1 4.43Å; R182-L190 HydrophobicContact CB-CD2 3.98Å; R182-L190 HydrophobicContact CB-CG 4.12Å; R182-L190 HydrophobicContact CG-CD2 4.43Å; R182-L190 HydrophobicContact CG-CG 4.35Å |
| 183 | K | 89.1 | Confident | 89.5 | Confident | 156 Ų | 156 | 67.9 Ų | 67.9 | 68% | 0.678 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -71.6 | -29.2 | 165.9 | -79.3 | 166.6 | -177 | 164.5 | 0 | 112.9 | I179 K180 K181 | I179-K183 HydrophobicContact CG1-CD 4.43Å; I179-K183 WeakPolarHBondContact O-CB 3.43Å; I179-K183 VanDerWaalsContact O-CD 3.31Å; I179-K183 WeakPolarHBondContact O-CD 3.44Å; I179-K183 WeakPolarHBondContact O-CG 3.38Å; I179-K183 PolarHBondContact O-N 3.29Å; I179-K183 VanDerWaalsContact O-N 3.08Å; K180-K183 PolarHBondContact O-N 3.38Å; K181-K183 PolarHBondContact O-N 3.1Å |
| 184 | N | 90.4 | Very high | 89.2 | Confident | 112 Ų | 112 | 68.6 Ų | 68.6 | 60% | 0.599 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -83 | -22.5 | 175.9 | -69.7 | -9.7 | 0 | 0 | 0 | 112.8 | K180 K181 | K180-N184 PolarHBondContact O-N 3.03Å; K181-N184 CarbonylContact O-C 3.5Å; K181-N184 WeakPolarHBondContact O-CB 3.26Å; K181-N184 PolarHBondContact O-N 3.01Å; K181-N184 VanDerWaalsContact O-N 3.12Å |
| 185 | C | 86 | Confident | 88.9 | Confident | 48 Ų | 48 | 74 Ų | 74 | 32% | 0.324 | 39% | 0.386 | S | S | . | . | trans | -62.8 | 138.2 | 176 | -169 | 0 | 0 | 0 | 0 | 111.4 | K181 G187 S189 L190 | K181-C185 PolarHBondContact O-N 3.36Å; C185-G187 PolarHBondContact SG-N 2.98Å; C185-S189 PolarHBondContact SG-O 3.17Å; C185-L190 HydrophobicContact CB-CD2 4.08Å | ||
| 186 | R | 78.9 | Confident | 88.5 | Confident | 255 Ų | 255 | 79 Ų | 79 | 96% | 0.962 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -87.9 | -9.5 | 174.6 | -63 | 179.8 | -178.7 | -93.4 | 1.9 | 113.1 | ||
| 187 | G | 77.9 | Confident | 87.9 | Confident | 38 Ų | 38 | 77 Ų | 77 | 39% | 0.392 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -96.5 | 173 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | C185 S189 | C185-G187 PolarHBondContact SG-N 2.98Å; G187-S189 VanDerWaalsContact C-N 3.27Å; G187-S189 PolarHBondContact O-N 3.34Å |
| 188 | P | 79.4 | Confident | 87.2 | Confident | 108 Ų | 108 | 83 Ų | 83 | 70% | 0.701 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -76.5 | -11.4 | 178.2 | 32.7 | -36.2 | 0 | 0 | 0 | 114.1 | ||
| 189 | S | 86.6 | Confident | 86.1 | Confident | 32 Ų | 32 | 94.7 Ų | 94.7 | 22% | 0.224 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -147.5 | 164 | 179.9 | 172.7 | 0 | 0 | 0 | 0 | 108.5 | E147 C185 G187 I191 | E147-S189 VanDerWaalsContact OE2-CA 3.25Å; E147-S189 WeakPolarHBondContact OE2-CA 3.38Å; E147-S189 VanDerWaalsContact OE2-CB 3.31Å; E147-S189 WeakPolarHBondContact OE2-CB 3.21Å; E147-S189 PolarHBondContact OE2-OG 2.89Å; C185-S189 PolarHBondContact SG-O 3.17Å; G187-S189 VanDerWaalsContact C-N 3.27Å; G187-S189 PolarHBondContact O-N 3.34Å; S189-I191 PolarHBondContact OG-N 3Å; S189-I191 VanDerWaalsContact OG-N 3.15Å |
| 190 | L | 89.4 | Confident | 85 | Confident | 25 Ų | 25 | 100.2 Ų | 100.2 | 13% | 0.131 | 50% | 0.501 | C | S | . | . | S | Bend | trans | -71.1 | -30.7 | 167.3 | -63.3 | 177.4 | 0 | 0 | 0 | 112.5 | Y115 I143 E147 W178 K181 R182 C185 P192 | Y115-L190 HydrophobicContact CE2-CB 3.79Å; Y115-L190 HydrophobicContact CE2-CD1 4.32Å; I143-L190 HydrophobicContact CG2-CD1 4.18Å; E147-L190 HydrophobicContact CG-CB 4.31Å; E147-L190 HydrophobicContact CG-CD1 4.29Å; E147-L190 HydrophobicContact CG-CG 4.46Å; E147-L190 PolarHBondContact OE2-N 3.23Å; W178-L190 VanDerWaalsContact CD1-CD1 3.49Å; K181-L190 HydrophobicContact CB-CD2 4.29Å; K181-L190 HydrophobicContact CD-CD1 4.25Å; K181-L190 HydrophobicContact CD-CD2 4.21Å; K181-L190 HydrophobicContact CG-CD2 3.88Å; R182-L190 HydrophobicContact CB-CD1 4.43Å; R182-L190 HydrophobicContact CB-CD2 3.98Å; R182-L190 HydrophobicContact CB-CG 4.12Å; R182-L190 HydrophobicContact CG-CD2 4.43Å; R182-L190 HydrophobicContact CG-CG 4.35Å; C185-L190 HydrophobicContact CB-CD2 4.08Å; L190-P192 WeakPolarHBondContact O-CD 3.1Å |
| 191 | I | 89 | Confident | 83.6 | Confident | 51 Ų | 51 | 98.3 Ų | 98.3 | 26% | 0.262 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -77.7 | 122.7 | -178.5 | -60.7 | 170.6 | 0 | 0 | 0 | 109.7 | D114 Y115 S189 S193 | D114-I191 HydrophobicContact CB-CD1 4.03Å; D114-I191 WeakPolarHBondContact O-CD1 3.47Å; Y115-I191 HydrophobicContact CD2-CD1 4.38Å; Y115-I191 HydrophobicContact CD2-CG1 3.78Å; Y115-I191 HydrophobicContact CE2-CG1 4.49Å; S189-I191 PolarHBondContact OG-N 3Å; S189-I191 VanDerWaalsContact OG-N 3.15Å; I191-S193 PolarHBondContact O-N 3.49Å |
| 192 | P | 87.8 | Confident | 82.5 | Confident | 129 Ų | 129 | 100.4 Ų | 100.4 | 84% | 0.838 | 53% | 0.528 | S | S | * | . | trans | -62.4 | 117.6 | 175.5 | -22.5 | 34.5 | 0 | 0 | 0 | 111.3 | L190 | L190-P192 WeakPolarHBondContact O-CD 3.1Š| ||
| 193 | S | 87.1 | Confident | 81.3 | Confident | 86 Ų | 86 | 103.5 Ų | 103.5 | 60% | 0.601 | 56% | 0.555 | S | S | * | * | trans | -115.5 | 138.2 | -176.7 | 41.6 | 0 | 0 | 0 | 0 | 112.1 | I191 K195 | I191-S193 PolarHBondContact O-N 3.49Å; S193-K195 PolarHBondContact O-N 3.38Å | ||
| 194 | V | 89.1 | Confident | 80.3 | Confident | 84 Ų | 84 | 98 Ų | 98 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 127.4 | 176.7 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | Q196 A210 F211 | V194-Q196 PolarHBondContact O-N 2.94Å; V194-A210 HydrophobicContact CG1-CB 3.83Å; V194-F211 HydrophobicContact CB-CD2 4.49Å; V194-F211 HydrophobicContact CB-CE2 4.42Å; V194-F211 HydrophobicContact CG1-CD2 3.85Å; V194-F211 HydrophobicContact CG1-CE2 3.89Å; V194-F211 HydrophobicContact CG2-CE2 4.36Å |
| 195 | K | 88.2 | Confident | 79.9 | Confident | 114 Ų | 114 | 100.6 Ų | 100.6 | 50% | 0.496 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -67 | 116.5 | -175.7 | -163.9 | 178.5 | -169.6 | 171.8 | 0 | 110.4 | S193 D206 V209 A210 | S193-K195 PolarHBondContact O-N 3.38Å; K195-D206 VanDerWaalsContact CE-OD2 3.31Å; K195-D206 WeakPolarHBondContact CE-OD2 3.45Å; K195-D206 IonicContact NZ-OD2 3.96Å; K195-D206 PolarHBondContact NZ-OD2 3.49Å; K195-V209 HydrophobicContact CD-CG2 3.98Å; K195-V209 HydrophobicContact CG-CG2 4.08Å; K195-V209 WeakPolarHBondContact O-CA 3.3Å; K195-A210 PolarHBondContact O-N 3.24Å |
| 196 | Q | 86.2 | Confident | 79.9 | Confident | 130 Ų | 130 | 100.2 Ų | 100.2 | 61% | 0.607 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -95 | 158.5 | 177.9 | -63 | -173.9 | 13.9 | 0 | 0 | 111.8 | V194 | V194-Q196 PolarHBondContact O-N 2.94Š|
| 197 | E | 83.9 | Confident | 80.4 | Confident | 67 Ų | 67 | 93.8 Ų | 93.8 | 31% | 0.313 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -67 | 130.2 | 174.7 | -175.9 | 164.2 | -115.6 | 0 | 0 | 110.8 | V209 R212 | E197-V209 HydrophobicContact CB-CG1 3.86Å; E197-R212 HydrophobicContact CB-CG 4.19Å; E197-R212 WeakPolarHBondContact OE1-CD 3.32Å; E197-R212 IonicContact OE1-CZ 2.73Å; E197-R212 IonicContact OE1-NE 2.8Å; E197-R212 IonicContact OE1-NH1 3.52Å; E197-R212 PolarHBondContact OE1-NH1 2.81Å |
| 198 | K | 80.2 | Confident | 81 | Confident | 142 Ų | 142 | 100.6 Ų | 100.6 | 62% | 0.617 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 139.8 | 176.9 | -69.5 | -168.6 | 174.8 | -170.6 | 0 | 110.4 | D200 G201 | K198-D200 WeakPolarHBondContact CB-OD2 3.32Å; K198-D200 WeakPolarHBondContact CD-OD2 3.33Å; K198-D200 PolarHBondContact O-N 3.09Å; K198-G201 PolarHBondContact O-N 3.43Å |
| 199 | R | 70.4 | Confident | 81.5 | Confident | 246 Ų | 246 | 96 Ų | 96 | 93% | 0.928 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -19.8 | 179.2 | -169.9 | 178.5 | -66.4 | 178.5 | 2.1 | 113.2 | G201 | R199-G201 PolarHBondContact O-N 2.92Š|
| 200 | D | 69.9 | Low | 81.6 | Confident | 125 Ų | 125 | 96.2 Ų | 96.2 | 67% | 0.668 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -4.8 | -178.2 | -39.3 | -38.3 | 0 | 0 | 0 | 114.2 | K198 S202 | K198-D200 WeakPolarHBondContact CB-OD2 3.32Å; K198-D200 WeakPolarHBondContact CD-OD2 3.33Å; K198-D200 PolarHBondContact O-N 3.09Å; D200-S202 PolarHBondContact O-N 3.3Å |
| 201 | G | 63.8 | Low | 81.5 | Confident | 67 Ų | 67 | 102.9 Ų | 102.9 | 69% | 0.691 | 55% | 0.551 | S | S | * | * | trans | 74.5 | 6.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | K198 R199 S203 | K198-G201 PolarHBondContact O-N 3.43Å; R199-G201 PolarHBondContact O-N 2.92Å; G201-S203 PolarHBondContact O-N 2.83Å | ||
| 202 | S | 70.5 | Confident | 81.3 | Confident | 62 Ų | 62 | 104.2 Ų | 104.2 | 43% | 0.434 | 55% | 0.553 | S | S | . | * | trans | -72 | 120.9 | 174.2 | 48 | 0 | 0 | 0 | 0 | 110.7 | D200 T204 | D200-S202 PolarHBondContact O-N 3.3Å; S202-T204 VanDerWaalsContact C-N 3.32Å; S202-T204 PolarHBondContact O-N 2.86Å | ||
| 203 | S | 63.3 | Low | 80.9 | Confident | 96 Ų | 96 | 107.2 Ų | 107.2 | 67% | 0.671 | 55% | 0.548 | S | S | * | . | trans | -69 | 88 | 177.4 | 57.2 | 0 | 0 | 0 | 0 | 110.4 | G201 N205 | G201-S203 PolarHBondContact O-N 2.83Å; S203-N205 PolarHBondContact O-N 3Å | ||
| 204 | T | 67.5 | Low | 80.3 | Confident | 42 Ų | 42 | 114 Ų | 114 | 26% | 0.258 | 56% | 0.56 | S | S | . | * | trans | -67.8 | 113.2 | 175.2 | 42.5 | 0 | 0 | 0 | 0 | 110 | S202 D206 R212 | S202-T204 VanDerWaalsContact C-N 3.32Å; S202-T204 PolarHBondContact O-N 2.86Å; T204-D206 PolarHBondContact O-N 2.92Å; T204-R212 PolarHBondContact O-NH1 2.92Å; T204-R212 PolarHBondContact O-NH2 3.23Å; T204-R212 PolarHBondContact OG1-NH1 2.88Å | ||
| 205 | N | 82.3 | Confident | 79 | Confident | 165 Ų | 165 | 115.2 Ų | 115.2 | 88% | 0.882 | 57% | 0.568 | S | S | * | * | trans | -78.3 | 36.4 | 170.2 | -68.5 | -15.8 | 0 | 0 | 0 | 111.6 | S203 | S203-N205 PolarHBondContact O-N 3Š| ||
| 206 | D | 86.8 | Confident | 77.5 | Confident | 40 Ų | 40 | 116.6 Ų | 116.6 | 21% | 0.214 | 58% | 0.576 | C | S | . | * | trans | -97.1 | 119.3 | -174.8 | -178.4 | -20.5 | 0 | 0 | 0 | 108.9 | K195 T204 Y208 V209 | K195-D206 VanDerWaalsContact CE-OD2 3.31Å; K195-D206 WeakPolarHBondContact CE-OD2 3.45Å; K195-D206 IonicContact NZ-OD2 3.96Å; K195-D206 PolarHBondContact NZ-OD2 3.49Å; T204-D206 PolarHBondContact O-N 2.92Å; D206-Y208 PolarHBondContact O-N 2.74Å; D206-Y208 WeakPolarHBondContact OD1-CB 3.47Å; D206-Y208 PolarHBondContact OD1-N 3.02Å; D206-V209 HydrophobicContact CB-CB 4.5Å; D206-V209 HydrophobicContact CB-CG2 3.76Å; D206-V209 PolarHBondContact O-N 3.01Å; D206-V209 VanDerWaalsContact O-N 3.12Å | ||
| 207 | P | 89.9 | Confident | 76.2 | Confident | 121 Ų | 121 | 119.1 Ų | 119.1 | 79% | 0.786 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -18.2 | -175.8 | 28.2 | -35.5 | 0 | 0 | 0 | 113.2 | V209 | P207-V209 VanDerWaalsContact C-N 3.3Š|
| 208 | Y | 90.1 | Very high | 74.7 | Confident | 181 Ų | 181 | 123.8 Ų | 123.8 | 71% | 0.71 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -8.2 | 176.2 | -65.2 | -82.7 | 0 | 0 | 0 | 113.2 | D206 A210 | D206-Y208 PolarHBondContact O-N 2.74Å; D206-Y208 WeakPolarHBondContact OD1-CB 3.47Å; D206-Y208 PolarHBondContact OD1-N 3.02Å; Y208-A210 PolarHBondContact O-N 3.4Å; Y208-A210 VanDerWaalsContact O-N 3.16Å |
| 209 | V | 89.8 | Confident | 73.8 | Confident | 12 Ų | 12 | 125.6 Ų | 125.6 | 7% | 0.073 | 62% | 0.62 | C | S | . | * | trans | -84.1 | 91.6 | -177.9 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | K195 E197 D206 P207 R212 | K195-V209 HydrophobicContact CD-CG2 3.98Å; K195-V209 HydrophobicContact CG-CG2 4.08Å; K195-V209 WeakPolarHBondContact O-CA 3.3Å; E197-V209 HydrophobicContact CB-CG1 3.86Å; D206-V209 HydrophobicContact CB-CB 4.5Å; D206-V209 HydrophobicContact CB-CG2 3.76Å; D206-V209 PolarHBondContact O-N 3.01Å; D206-V209 VanDerWaalsContact O-N 3.12Å; P207-V209 VanDerWaalsContact C-N 3.3Å; V209-R212 HydrophobicContact CG1-CG 4.24Å; V209-R212 PolarHBondContact O-NE 3.2Å | ||
| 210 | A | 88.6 | Confident | 73.1 | Confident | 36 Ų | 36 | 119.8 Ų | 119.8 | 30% | 0.298 | 61% | 0.612 | S | S | . | * | trans | -98 | 176.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V194 K195 Y208 R212 | V194-A210 HydrophobicContact CG1-CB 3.83Å; K195-A210 PolarHBondContact O-N 3.24Å; Y208-A210 PolarHBondContact O-N 3.4Å; Y208-A210 VanDerWaalsContact O-N 3.16Å; A210-R212 PolarHBondContact O-N 3.23Å | ||
| 211 | F | 88.1 | Confident | 72.5 | Confident | 164 Ų | 164 | 124.6 Ų | 124.6 | 72% | 0.719 | 62% | 0.62 | S | S | * | * | S | Bend | trans | 48.6 | 36.2 | 173.3 | -51.7 | -60.2 | 0 | 0 | 0 | 115.3 | V194 R213 | V194-F211 HydrophobicContact CB-CD2 4.49Å; V194-F211 HydrophobicContact CB-CE2 4.42Å; V194-F211 HydrophobicContact CG1-CD2 3.85Å; V194-F211 HydrophobicContact CG1-CE2 3.89Å; V194-F211 HydrophobicContact CG2-CE2 4.36Å; F211-R213 PolarHBondContact O-N 3.06Å |
| 212 | R | 84.9 | Confident | 72.4 | Confident | 80 Ų | 80 | 131.3 Ų | 131.3 | 30% | 0.302 | 63% | 0.631 | S | S | . | * | trans | -56.1 | 124.8 | -176.8 | -62.6 | -171.4 | -172.7 | -132.5 | 6.3 | 111.1 | E197 T204 V209 A210 R214 | E197-R212 HydrophobicContact CB-CG 4.19Å; E197-R212 WeakPolarHBondContact OE1-CD 3.32Å; E197-R212 IonicContact OE1-CZ 2.73Å; E197-R212 IonicContact OE1-NE 2.8Å; E197-R212 IonicContact OE1-NH1 3.52Å; E197-R212 PolarHBondContact OE1-NH1 2.81Å; T204-R212 PolarHBondContact O-NH1 2.92Å; T204-R212 PolarHBondContact O-NH2 3.23Å; T204-R212 PolarHBondContact OG1-NH1 2.88Å; V209-R212 HydrophobicContact CG1-CG 4.24Å; V209-R212 PolarHBondContact O-NE 3.2Å; A210-R212 PolarHBondContact O-N 3.23Å; R212-R214 PolarHBondContact O-N 2.58Å | ||
| 213 | R | 78.4 | Confident | 71.9 | Confident | 191 Ų | 191 | 136 Ų | 136 | 72% | 0.721 | 65% | 0.651 | S | S | * | * | trans | -78.2 | 68.2 | -178.2 | -59.1 | -171.3 | 76.3 | 178 | 6.6 | 110.7 | F211 T215 | F211-R213 PolarHBondContact O-N 3.06Å; R213-T215 PolarHBondContact O-N 2.81Å | ||
| 214 | R | 75.3 | Confident | 72 | Confident | 228 Ų | 228 | 141 Ų | 141 | 86% | 0.86 | 66% | 0.655 | S | S | * | * | trans | -60.1 | 91 | 164 | -69.1 | -173.1 | -178.1 | 179.7 | 3 | 108 | R212 E216 | R212-R214 PolarHBondContact O-N 2.58Å; R214-E216 VanDerWaalsContact C-N 3.3Å; R214-E216 PolarHBondContact O-N 2.97Å | ||
| 215 | T | 61.1 | Low | 72 | Confident | 110 Ų | 110 | 147 Ų | 147 | 68% | 0.675 | 68% | 0.677 | S | S | * | * | trans | -69.4 | 95.7 | 166.7 | 46.4 | 0 | 0 | 0 | 0 | 107.3 | R213 K217 | R213-T215 PolarHBondContact O-N 2.81Å; T215-K217 VanDerWaalsContact C-N 3.31Å; T215-K217 PolarHBondContact O-N 3.03Å | ||
| 216 | E | 57 | Low | 71.5 | Confident | 144 Ų | 144 | 145.4 Ų | 145.4 | 67% | 0.673 | 67% | 0.669 | S | S | * | * | trans | -48.8 | 112.4 | 143.1 | -175.7 | -178.9 | -120.8 | 0 | 0 | 104.7 | R214 M218 Q644 | R214-E216 VanDerWaalsContact C-N 3.3Å; R214-E216 PolarHBondContact O-N 2.97Å; E216-M218 VanDerWaalsContact C-N 3.29Å; E216-M218 PolarHBondContact O-N 2.9Å; E216-Q644 PolarHBondContact OE1-NE2 2.89Å | ||
| 217 | K | 59.5 | Low | 71.3 | Confident | 183 Ų | 183 | 147.6 Ų | 147.6 | 80% | 0.796 | 68% | 0.681 | S | S | * | * | trans | -65.4 | 94.6 | -168.9 | -72.1 | -179.5 | 179.3 | 176.4 | 0 | 107.2 | T215 Q219 | T215-K217 VanDerWaalsContact C-N 3.31Å; T215-K217 PolarHBondContact O-N 3.03Å; K217-Q219 VanDerWaalsContact C-N 3.31Å; K217-Q219 VanDerWaalsContact O-CA 3.23Å; K217-Q219 WeakPolarHBondContact O-CA 3.4Å; K217-Q219 WeakPolarHBondContact O-CB 3.46Å; K217-Q219 PolarHBondContact O-N 2.82Å | ||
| 218 | M | 51.4 | Low | 71.3 | Confident | 164 Ų | 164 | 149.3 Ų | 149.3 | 81% | 0.808 | 68% | 0.678 | S | S | * | * | trans | -55.5 | 96.4 | -168.8 | -170.2 | -174.4 | 78.4 | 0 | 0 | 108.9 | E216 T220 | E216-M218 VanDerWaalsContact C-N 3.29Å; E216-M218 PolarHBondContact O-N 2.9Å; M218-T220 PolarHBondContact O-N 3.02Å | ||
| 219 | Q | 61.6 | Low | 71.3 | Confident | 181 Ų | 181 | 143 Ų | 143 | 85% | 0.846 | 66% | 0.664 | S | S | * | * | trans | -79.2 | 98.4 | -154.4 | -157.6 | 172 | 31 | 0 | 0 | 107.4 | K217 R221 | K217-Q219 VanDerWaalsContact C-N 3.31Å; K217-Q219 VanDerWaalsContact O-CA 3.23Å; K217-Q219 WeakPolarHBondContact O-CA 3.4Å; K217-Q219 WeakPolarHBondContact O-CB 3.46Å; K217-Q219 PolarHBondContact O-N 2.82Å; Q219-R221 PolarHBondContact O-N 3.42Å | ||
| 220 | T | 55.3 | Low | 71.3 | Confident | 124 Ų | 124 | 144.2 Ų | 144.2 | 76% | 0.761 | 67% | 0.672 | S | S | * | * | trans | -57.6 | 100.7 | -168.6 | 39.2 | 0 | 0 | 0 | 0 | 109.4 | M218 K222 | M218-T220 PolarHBondContact O-N 3.02Å; T220-K222 PolarHBondContact O-N 3.03Å; T220-K222 VanDerWaalsContact O-N 3.09Å | ||
| 221 | R | 57.6 | Low | 71.5 | Confident | 226 Ų | 226 | 148.1 Ų | 148.1 | 85% | 0.853 | 68% | 0.68 | S | S | * | * | trans | -55.4 | 121.4 | -177.1 | -71.1 | -174.7 | 175.6 | -169.4 | 0.7 | 108 | Q219 N223 | Q219-R221 PolarHBondContact O-N 3.42Å; R221-N223 PolarHBondContact O-N 3.01Å; R221-N223 VanDerWaalsContact O-N 3.13Å | ||
| 222 | K | 61.9 | Low | 71.8 | Confident | 208 Ų | 208 | 145.9 Ų | 145.9 | 90% | 0.904 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -24.7 | 111.1 | -179.1 | -72.5 | -174.9 | 173.3 | -171.3 | 0 | 112 | T220 R224 | T220-K222 PolarHBondContact O-N 3.03Å; T220-K222 VanDerWaalsContact O-N 3.09Å; K222-R224 PolarHBondContact O-N 2.99Å; K222-R224 VanDerWaalsContact O-N 3.09Å |
| 223 | N | 59.3 | Low | 72.3 | Confident | 161 Ų | 161 | 149.2 Ų | 149.2 | 86% | 0.861 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 13.3 | 80.3 | 178.3 | -83.4 | -8.2 | 0 | 0 | 0 | 113.8 | R221 K225 | R221-N223 PolarHBondContact O-N 3.01Å; R221-N223 VanDerWaalsContact O-N 3.13Å; N223-K225 VanDerWaalsContact C-N 3.35Å; N223-K225 PolarHBondContact O-N 2.64Å |
| 224 | R | 65 | Low | 73.1 | Confident | 200 Ų | 200 | 144.8 Ų | 144.8 | 76% | 0.755 | 68% | 0.677 | S | S | * | * | trans | -56.1 | 105.3 | 162.4 | 178.7 | 178.7 | 179.4 | -179.6 | -2.2 | 106.5 | K222 | K222-R224 PolarHBondContact O-N 2.99Å; K222-R224 VanDerWaalsContact O-N 3.09Å | ||
| 225 | K | 68.8 | Low | 74.2 | Confident | 168 Ų | 168 | 135.9 Ų | 135.9 | 73% | 0.73 | 65% | 0.647 | S | S | * | * | trans | -58.4 | 147.7 | 173.6 | -68.5 | -171 | 174.7 | -171.2 | 0 | 108.1 | N223 D227 | N223-K225 VanDerWaalsContact C-N 3.35Å; N223-K225 PolarHBondContact O-N 2.64Å; K225-D227 PolarHBondContact O-N 2.89Å | ||
| 226 | N | 71.1 | Confident | 75.9 | Confident | 131 Ų | 131 | 137 Ų | 137 | 70% | 0.701 | 64% | 0.642 | S | S | * | * | trans | -75.1 | 84 | 173.9 | -171.9 | 25.6 | 0 | 0 | 0 | 108 | E228 | N226-E228 PolarHBondContact O-N 3.39Š| ||
| 227 | D | 82.5 | Confident | 77.8 | Confident | 87 Ų | 87 | 135.1 Ų | 135.1 | 47% | 0.465 | 64% | 0.636 | S | S | . | * | trans | -64 | 130.7 | -175.9 | -54.9 | -44.1 | 0 | 0 | 0 | 109.4 | K225 A229 S230 Y231 | K225-D227 PolarHBondContact O-N 2.89Å; D227-A229 VanDerWaalsContact C-N 3.33Å; D227-A229 PolarHBondContact O-N 3.46Å; D227-S230 WeakPolarHBondContact O-CA 3.39Å; D227-S230 WeakPolarHBondContact O-CB 3.21Å; D227-S230 PolarHBondContact O-N 3.42Å; D227-S230 PolarHBondContact O-OG 3.47Å; D227-Y231 PolarHBondContact O-N 3.2Å | ||
| 228 | E | 90.4 | Very high | 79.7 | Confident | 157 Ų | 157 | 134.8 Ų | 134.8 | 73% | 0.734 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -51.9 | -48.1 | -176.8 | -177.4 | 168.3 | -145.9 | 0 | 0 | 112.4 | N226 S230 Y231 E232 | N226-E228 PolarHBondContact O-N 3.39Å; E228-S230 PolarHBondContact O-N 3.42Å; E228-Y231 CarbonylContact O-C 3.37Å; E228-Y231 WeakPolarHBondContact O-CA 3.31Å; E228-Y231 WeakPolarHBondContact O-CB 3.36Å; E228-Y231 PolarHBondContact O-N 2.83Å; E228-E232 PolarHBondContact O-N 3.37Å |
| 229 | A | 90.5 | Very high | 81.9 | Confident | 49 Ų | 49 | 134.7 Ų | 134.7 | 41% | 0.405 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.5 | -10.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D227 K233 | D227-A229 VanDerWaalsContact C-N 3.33Å; D227-A229 PolarHBondContact O-N 3.46Å; A229-K233 WeakPolarHBondContact O-CD 3.45Å; A229-K233 WeakPolarHBondContact O-CE 3.43Å; A229-K233 WeakPolarHBondContact O-CG 3.34Å |
| 230 | S | 89.7 | Confident | 83.6 | Confident | 36 Ų | 36 | 129.4 Ų | 129.4 | 25% | 0.252 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -91.7 | -34.2 | 169.6 | 77.4 | 0 | 0 | 0 | 0 | 112.4 | D227 E228 K233 M234 | D227-S230 WeakPolarHBondContact O-CA 3.39Å; D227-S230 WeakPolarHBondContact O-CB 3.21Å; D227-S230 PolarHBondContact O-N 3.42Å; D227-S230 PolarHBondContact O-OG 3.47Å; E228-S230 PolarHBondContact O-N 3.42Å; S230-K233 PolarHBondContact O-N 3.34Å; S230-M234 PolarHBondContact O-N 2.95Å |
| 231 | Y | 92 | Very high | 85.6 | Confident | 118 Ų | 118 | 128.4 Ų | 128.4 | 46% | 0.463 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.3 | -41.4 | 170.2 | 179.1 | -110 | 0 | 0 | 0 | 111.8 | D227 E228 K233 M234 L235 | D227-Y231 PolarHBondContact O-N 3.2Å; E228-Y231 CarbonylContact O-C 3.37Å; E228-Y231 WeakPolarHBondContact O-CA 3.31Å; E228-Y231 WeakPolarHBondContact O-CB 3.36Å; E228-Y231 PolarHBondContact O-N 2.83Å; Y231-K233 VanDerWaalsContact C-N 3.34Å; Y231-K233 PolarHBondContact O-N 3.18Å; Y231-M234 HydrophobicContact CD2-CE 3.58Å; Y231-M234 HydrophobicContact CE2-CE 3.49Å; Y231-M234 VanDerWaalsContact CE2-CE 3.49Å; Y231-M234 WeakPolarHBondContact O-CB 3.16Å; Y231-M234 PolarHBondContact O-N 3.33Å; Y231-L235 HydrophobicContact CD1-CD1 4.05Å; Y231-L235 HydrophobicContact CD1-CG 4.49Å; Y231-L235 HydrophobicContact CE1-CD1 3.55Å; Y231-L235 HydrophobicContact CE1-CG 4.17Å; Y231-L235 HydrophobicContact CE2-CD2 4.48Å; Y231-L235 HydrophobicContact CE2-CG 4.42Å; Y231-L235 WeakPolarHBondContact O-CG 3.2Å; Y231-L235 PolarHBondContact O-N 2.88Å |
| 232 | E | 94.9 | Very high | 87.5 | Confident | 117 Ų | 117 | 120.7 Ų | 120.7 | 55% | 0.547 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -57.2 | -45 | 171.4 | -68.8 | -173.6 | 125.4 | 0 | 0 | 112.3 | E228 M234 L235 K236 | E228-E232 PolarHBondContact O-N 3.37Å; E232-M234 VanDerWaalsContact C-N 3.33Å; E232-M234 PolarHBondContact O-N 3.17Å; E232-L235 PolarHBondContact O-N 3.35Å; E232-K236 PolarHBondContact O-N 2.68Å |
| 233 | K | 95.6 | Very high | 89.2 | Confident | 150 Ų | 150 | 118.8 Ų | 118.8 | 65% | 0.652 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.5 | -37.5 | 177.4 | -73.5 | 170.6 | -168.6 | 174 | 0 | 111.8 | A229 S230 Y231 K236 L237 | A229-K233 WeakPolarHBondContact O-CD 3.45Å; A229-K233 WeakPolarHBondContact O-CE 3.43Å; A229-K233 WeakPolarHBondContact O-CG 3.34Å; S230-K233 PolarHBondContact O-N 3.34Å; Y231-K233 VanDerWaalsContact C-N 3.34Å; Y231-K233 PolarHBondContact O-N 3.18Å; K233-K236 PolarHBondContact O-N 2.9Å; K233-L237 VanDerWaalsContact O-CB 3.31Å; K233-L237 WeakPolarHBondContact O-CB 3.2Å; K233-L237 PolarHBondContact O-N 3.35Å |
| 234 | M | 95.4 | Very high | 91 | Very high | 98 Ų | 98 | 113.1 Ų | 113.1 | 48% | 0.483 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 171.5 | -175.2 | -153.3 | 71.3 | 0 | 0 | 111.7 | S230 Y231 E232 L237 R238 | S230-M234 PolarHBondContact O-N 2.95Å; Y231-M234 HydrophobicContact CD2-CE 3.58Å; Y231-M234 HydrophobicContact CE2-CE 3.49Å; Y231-M234 VanDerWaalsContact CE2-CE 3.49Å; Y231-M234 WeakPolarHBondContact O-CB 3.16Å; Y231-M234 PolarHBondContact O-N 3.33Å; E232-M234 VanDerWaalsContact C-N 3.33Å; E232-M234 PolarHBondContact O-N 3.17Å; M234-L237 PolarHBondContact O-N 3.24Å; M234-R238 WeakPolarHBondContact O-CB 3.27Å; M234-R238 PolarHBondContact O-N 3.09Å |
| 235 | L | 96.9 | Very high | 92.6 | Very high | 42 Ų | 42 | 105.4 Ų | 105.4 | 22% | 0.22 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 176.1 | -70.7 | -179.2 | 0 | 0 | 0 | 112.5 | Y231 E232 R239 | Y231-L235 HydrophobicContact CD1-CD1 4.05Å; Y231-L235 HydrophobicContact CD1-CG 4.49Å; Y231-L235 HydrophobicContact CE1-CD1 3.55Å; Y231-L235 HydrophobicContact CE1-CG 4.17Å; Y231-L235 HydrophobicContact CE2-CD2 4.48Å; Y231-L235 HydrophobicContact CE2-CG 4.42Å; Y231-L235 WeakPolarHBondContact O-CG 3.2Å; Y231-L235 PolarHBondContact O-N 2.88Å; E232-L235 PolarHBondContact O-N 3.35Å; L235-R239 WeakPolarHBondContact O-CG 3.17Å; L235-R239 PolarHBondContact O-N 2.92Å; L235-R239 VanDerWaalsContact O-N 3.17Å |
| 236 | K | 97.3 | Very high | 93.9 | Very high | 134 Ų | 134 | 101.3 Ų | 101.3 | 58% | 0.583 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.6 | -51.9 | 171.4 | -179.6 | 173.7 | 178.7 | -179.3 | 0 | 110.7 | E232 K233 R238 R239 D240 | E232-K236 PolarHBondContact O-N 2.68Å; K233-K236 PolarHBondContact O-N 2.9Å; K236-R238 VanDerWaalsContact C-N 3.28Å; K236-R238 PolarHBondContact O-N 3.09Å; K236-R239 WeakPolarHBondContact O-CB 3.36Å; K236-R239 PolarHBondContact O-N 2.83Å; K236-D240 WeakPolarHBondContact CE-OD2 3.38Å; K236-D240 VanDerWaalsContact CG-OD2 3.29Å; K236-D240 WeakPolarHBondContact CG-OD2 3.38Å; K236-D240 PolarHBondContact O-N 2.74Å |
| 237 | L | 97.8 | Very high | 95.2 | Very high | 103 Ų | 103 | 99.3 Ų | 99.3 | 54% | 0.539 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -55.8 | -41.9 | 178 | 179.8 | 61.9 | 0 | 0 | 0 | 112 | K233 M234 D240 L241 | K233-L237 VanDerWaalsContact O-CB 3.31Å; K233-L237 WeakPolarHBondContact O-CB 3.2Å; K233-L237 PolarHBondContact O-N 3.35Å; M234-L237 PolarHBondContact O-N 3.24Å; L237-D240 PolarHBondContact O-N 2.86Å; L237-L241 HydrophobicContact CD1-CD1 3.96Å; L237-L241 HydrophobicContact CD1-CG 4.02Å; L237-L241 HydrophobicContact CG-CD1 3.92Å; L237-L241 HydrophobicContact CG-CG 4.39Å; L237-L241 WeakPolarHBondContact O-CB 3.28Å; L237-L241 VanDerWaalsContact O-CG 3.26Å; L237-L241 WeakPolarHBondContact O-CG 3.43Å; L237-L241 PolarHBondContact O-N 3.01Å |
| 238 | R | 97.8 | Very high | 95.9 | Very high | 176 Ų | 176 | 98.1 Ų | 98.1 | 66% | 0.664 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.4 | -48.4 | 173.7 | -178.8 | 179.2 | 173.7 | -173.8 | -1.6 | 111.7 | M234 K236 S242 | M234-R238 WeakPolarHBondContact O-CB 3.27Å; M234-R238 PolarHBondContact O-N 3.09Å; K236-R238 VanDerWaalsContact C-N 3.28Å; K236-R238 PolarHBondContact O-N 3.09Å; R238-S242 WeakPolarHBondContact O-CB 3.18Å; R238-S242 PolarHBondContact O-N 3.49Å; R238-S242 PolarHBondContact O-OG 2.7Å; R238-S242 VanDerWaalsContact O-OG 3.1Å |
| 239 | R | 97.8 | Very high | 96.2 | Very high | 163 Ų | 163 | 93.7 Ų | 93.7 | 62% | 0.615 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.4 | -42.7 | 178.8 | -70 | 172.2 | -176.9 | 121.7 | -7.4 | 112 | L235 K236 S242 R243 | L235-R239 WeakPolarHBondContact O-CG 3.17Å; L235-R239 PolarHBondContact O-N 2.92Å; L235-R239 VanDerWaalsContact O-N 3.17Å; K236-R239 WeakPolarHBondContact O-CB 3.36Å; K236-R239 PolarHBondContact O-N 2.83Å; R239-S242 PolarHBondContact O-N 2.97Å; R239-R243 WeakPolarHBondContact O-CB 3.45Å; R239-R243 PolarHBondContact O-N 3.04Å |
| 240 | D | 97.9 | Very high | 96.6 | Very high | 70 Ų | 70 | 97.1 Ų | 97.1 | 37% | 0.374 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70 | -38.3 | -178.6 | -67.9 | -21.6 | 0 | 0 | 0 | 111.5 | K236 L237 R243 A244 | K236-D240 WeakPolarHBondContact CE-OD2 3.38Å; K236-D240 VanDerWaalsContact CG-OD2 3.29Å; K236-D240 WeakPolarHBondContact CG-OD2 3.38Å; K236-D240 PolarHBondContact O-N 2.74Å; L237-D240 PolarHBondContact O-N 2.86Å; D240-R243 PolarHBondContact O-N 3.11Å; D240-A244 PolarHBondContact O-N 3.4Å |
| 241 | L | 97.6 | Very high | 97 | Very high | 102 Ų | 102 | 97.9 Ų | 97.9 | 53% | 0.534 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 170.9 | -72 | 172.5 | 0 | 0 | 0 | 112.2 | L237 R243 A244 V245 | L237-L241 HydrophobicContact CD1-CD1 3.96Å; L237-L241 HydrophobicContact CD1-CG 4.02Å; L237-L241 HydrophobicContact CG-CD1 3.92Å; L237-L241 HydrophobicContact CG-CG 4.39Å; L237-L241 WeakPolarHBondContact O-CB 3.28Å; L237-L241 VanDerWaalsContact O-CG 3.26Å; L237-L241 WeakPolarHBondContact O-CG 3.43Å; L237-L241 PolarHBondContact O-N 3.01Å; L241-R243 VanDerWaalsContact C-N 3.28Å; L241-R243 PolarHBondContact O-N 3.02Å; L241-A244 PolarHBondContact O-N 3.05Å; L241-V245 WeakPolarHBondContact O-CG2 3.42Å; L241-V245 PolarHBondContact O-N 3.08Å |
| 242 | S | 97.8 | Very high | 97.2 | Very high | 65 Ų | 65 | 97.4 Ų | 97.4 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 174.3 | -66.4 | 0 | 0 | 0 | 0 | 112 | R238 R239 V245 T246 | R238-S242 WeakPolarHBondContact O-CB 3.18Å; R238-S242 PolarHBondContact O-N 3.49Å; R238-S242 PolarHBondContact O-OG 2.7Å; R238-S242 VanDerWaalsContact O-OG 3.1Å; R239-S242 PolarHBondContact O-N 2.97Å; S242-V245 PolarHBondContact O-N 3.17Å; S242-T246 PolarHBondContact O-N 3.48Å; S242-T246 PolarHBondContact O-OG1 2.74Å |
| 243 | R | 97.8 | Very high | 97.4 | Very high | 168 Ų | 168 | 98.9 Ų | 98.9 | 63% | 0.634 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.7 | -45.6 | 173.9 | -172.7 | -168.3 | -62.8 | -97.7 | 2.3 | 111.7 | R239 D240 L241 V245 T246 I247 | R239-R243 WeakPolarHBondContact O-CB 3.45Å; R239-R243 PolarHBondContact O-N 3.04Å; D240-R243 PolarHBondContact O-N 3.11Å; L241-R243 VanDerWaalsContact C-N 3.28Å; L241-R243 PolarHBondContact O-N 3.02Å; R243-V245 VanDerWaalsContact C-N 3.33Å; R243-V245 PolarHBondContact O-N 3Å; R243-T246 PolarHBondContact O-N 2.66Å; R243-I247 HydrophobicContact CG-CD1 4.15Å; R243-I247 WeakPolarHBondContact O-CG1 3.15Å; R243-I247 PolarHBondContact O-N 3.03Å |
| 244 | A | 97.5 | Very high | 97.5 | Very high | 41 Ų | 41 | 98.2 Ų | 98.2 | 34% | 0.339 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D240 L241 T246 I247 L248 | D240-A244 PolarHBondContact O-N 3.4Å; L241-A244 PolarHBondContact O-N 3.05Å; A244-T246 PolarHBondContact O-N 2.9Å; A244-I247 PolarHBondContact O-N 2.94Å; A244-L248 PolarHBondContact O-N 2.91Å |
| 245 | V | 96.6 | Very high | 97.6 | Very high | 38 Ų | 38 | 96.1 Ų | 96.1 | 23% | 0.23 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 174.2 | 167.1 | 0 | 0 | 0 | 0 | 111.9 | L241 S242 R243 I247 L248 E249 H713 Q714 | L241-V245 WeakPolarHBondContact O-CG2 3.42Å; L241-V245 PolarHBondContact O-N 3.08Å; S242-V245 PolarHBondContact O-N 3.17Å; R243-V245 VanDerWaalsContact C-N 3.33Å; R243-V245 PolarHBondContact O-N 3Å; V245-I247 VanDerWaalsContact C-N 3.34Å; V245-I247 PolarHBondContact O-N 2.88Å; V245-L248 PolarHBondContact O-N 3.33Å; V245-E249 VanDerWaalsContact O-CB 3.28Å; V245-E249 WeakPolarHBondContact O-CB 3.42Å; V245-E249 PolarHBondContact O-N 2.9Å; V245-H713 WeakPolarHBondContact CA-NE2 3.36Å; V245-Q714 HydrophobicContact CG2-CG 4.13Å |
| 246 | T | 97.6 | Very high | 97.7 | Very high | 83 Ų | 83 | 100 Ų | 100 | 51% | 0.509 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 176.1 | -52.9 | 0 | 0 | 0 | 0 | 112.1 | S242 R243 A244 M250 | S242-T246 PolarHBondContact O-N 3.48Å; S242-T246 PolarHBondContact O-OG1 2.74Å; R243-T246 PolarHBondContact O-N 2.66Å; A244-T246 PolarHBondContact O-N 2.9Å; T246-M250 WeakPolarHBondContact O-CG 3.46Å; T246-M250 PolarHBondContact O-N 2.93Å |
| 247 | I | 97.9 | Very high | 97.7 | Very high | 88 Ų | 88 | 96.8 Ų | 96.8 | 45% | 0.451 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 179.9 | -67.6 | 164.3 | 0 | 0 | 0 | 111.2 | R243 A244 V245 M250 I251 | R243-I247 HydrophobicContact CG-CD1 4.15Å; R243-I247 WeakPolarHBondContact O-CG1 3.15Å; R243-I247 PolarHBondContact O-N 3.03Å; A244-I247 PolarHBondContact O-N 2.94Å; V245-I247 VanDerWaalsContact C-N 3.34Å; V245-I247 PolarHBondContact O-N 2.88Å; I247-M250 WeakPolarHBondContact O-CB 3.47Å; I247-M250 PolarHBondContact O-N 3.33Å; I247-I251 HydrophobicContact CG2-CD1 4.09Å; I247-I251 WeakPolarHBondContact O-CG1 3.08Å; I247-I251 PolarHBondContact O-N 3.18Å |
| 248 | L | 96.8 | Very high | 97.7 | Very high | 63 Ų | 63 | 97.1 Ų | 97.1 | 33% | 0.33 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -74.4 | -30.5 | -178.5 | -82 | 159.7 | 0 | 0 | 0 | 112.9 | A244 V245 I251 K252 H713 | A244-L248 PolarHBondContact O-N 2.91Å; V245-L248 PolarHBondContact O-N 3.33Å; L248-I251 HydrophobicContact CD2-CD1 4.05Å; L248-I251 PolarHBondContact O-N 3.25Å; L248-K252 WeakPolarHBondContact O-CB 3.36Å; L248-K252 PolarHBondContact O-N 3.09Å; L248-H713 VanDerWaalsContact CB-NE2 3.29Å; L248-H713 WeakPolarHBondContact CB-NE2 3.45Å; L248-H713 WeakPolarHBondContact CD1-CE1 3.21Å; L248-H713 VanDerWaalsContact CD1-NE2 3.35Å; L248-H713 WeakPolarHBondContact CD1-NE2 3.46Å |
| 249 | E | 97.3 | Very high | 97.7 | Very high | 63 Ų | 63 | 96.8 Ų | 96.8 | 29% | 0.294 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 167.2 | 171.1 | 58.8 | -165.8 | 0 | 0 | 111.6 | V245 I251 K252 R253 | V245-E249 VanDerWaalsContact O-CB 3.28Å; V245-E249 WeakPolarHBondContact O-CB 3.42Å; V245-E249 PolarHBondContact O-N 2.9Å; E249-I251 VanDerWaalsContact C-N 3.33Å; E249-I251 PolarHBondContact O-N 3.05Å; E249-K252 PolarHBondContact O-N 2.67Å; E249-K252 WeakPolarHBondContact OE2-CD 3.39Å; E249-R253 VanDerWaalsContact CG-NH2 3.32Å; E249-R253 WeakPolarHBondContact O-CG 2.89Å; E249-R253 PolarHBondContact O-N 2.8Å; E249-R253 IonicContact OE1-CZ 2.88Å; E249-R253 IonicContact OE1-NE 2.77Å; E249-R253 PolarHBondContact OE1-NE 3.31Å; E249-R253 IonicContact OE1-NH2 3.45Å; E249-R253 PolarHBondContact OE1-NH2 3.24Å |
| 250 | M | 98 | Very high | 97.7 | Very high | 121 Ų | 121 | 93.1 Ų | 93.1 | 60% | 0.596 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.7 | -38.5 | 170.6 | -71.9 | 174.3 | 67.8 | 0 | 0 | 112.2 | T246 I247 R254 | T246-M250 WeakPolarHBondContact O-CG 3.46Å; T246-M250 PolarHBondContact O-N 2.93Å; I247-M250 WeakPolarHBondContact O-CB 3.47Å; I247-M250 PolarHBondContact O-N 3.33Å; M250-R254 WeakPolarHBondContact O-CB 3.26Å; M250-R254 PolarHBondContact O-N 2.97Å |
| 251 | I | 98.3 | Very high | 97.7 | Very high | 52 Ų | 52 | 95 Ų | 95 | 27% | 0.267 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.9 | -46.3 | 174 | -69.4 | 164.3 | 0 | 0 | 0 | 110.6 | I247 L248 E249 R253 R254 E255 | I247-I251 HydrophobicContact CG2-CD1 4.09Å; I247-I251 WeakPolarHBondContact O-CG1 3.08Å; I247-I251 PolarHBondContact O-N 3.18Å; L248-I251 HydrophobicContact CD2-CD1 4.05Å; L248-I251 PolarHBondContact O-N 3.25Å; E249-I251 VanDerWaalsContact C-N 3.33Å; E249-I251 PolarHBondContact O-N 3.05Å; I251-R253 VanDerWaalsContact C-N 3.35Å; I251-R253 PolarHBondContact O-N 2.73Å; I251-R254 WeakPolarHBondContact O-CB 3.16Å; I251-R254 PolarHBondContact O-N 3.17Å; I251-R254 VanDerWaalsContact O-N 3.12Å; I251-E255 HydrophobicContact CG2-CG 4.34Å; I251-E255 WeakPolarHBondContact O-CG 3.46Å; I251-E255 PolarHBondContact O-N 3.19Å |
| 252 | K | 97.4 | Very high | 97.7 | Very high | 109 Ų | 109 | 95 Ų | 95 | 47% | 0.474 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -55.2 | -47.5 | 176.3 | -174.7 | -171.9 | -176.1 | 179 | 0 | 111.5 | L248 E249 E255 K256 | L248-K252 WeakPolarHBondContact O-CB 3.36Å; L248-K252 PolarHBondContact O-N 3.09Å; E249-K252 PolarHBondContact O-N 2.67Å; E249-K252 WeakPolarHBondContact OE2-CD 3.39Å; K252-E255 PolarHBondContact O-N 3.25Å; K252-K256 WeakPolarHBondContact O-CB 3.26Å; K252-K256 PolarHBondContact O-N 3.19Å |
| 253 | R | 97.9 | Very high | 97.7 | Very high | 148 Ų | 148 | 97.6 Ų | 97.6 | 56% | 0.558 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.3 | -47 | 173.6 | -68.6 | 174 | -163.5 | 174.3 | 7 | 112.1 | E249 I251 E255 K256 S257 | E249-R253 VanDerWaalsContact CG-NH2 3.32Å; E249-R253 WeakPolarHBondContact O-CG 2.89Å; E249-R253 PolarHBondContact O-N 2.8Å; E249-R253 IonicContact OE1-CZ 2.88Å; E249-R253 IonicContact OE1-NE 2.77Å; E249-R253 PolarHBondContact OE1-NE 3.31Å; E249-R253 IonicContact OE1-NH2 3.45Å; E249-R253 PolarHBondContact OE1-NH2 3.24Å; I251-R253 VanDerWaalsContact C-N 3.35Å; I251-R253 PolarHBondContact O-N 2.73Å; R253-E255 PolarHBondContact O-N 3.43Å; R253-K256 WeakPolarHBondContact O-CB 3.49Å; R253-K256 PolarHBondContact O-N 3.01Å; R253-S257 PolarHBondContact O-N 2.87Å; R253-S257 PolarHBondContact O-OG 2.93Å |
| 254 | R | 98.3 | Very high | 97.6 | Very high | 135 Ų | 135 | 93.8 Ų | 93.8 | 51% | 0.509 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 179.8 | -171.3 | -170.6 | 70.3 | -161.3 | -1.8 | 112.2 | M250 I251 K258 | M250-R254 WeakPolarHBondContact O-CB 3.26Å; M250-R254 PolarHBondContact O-N 2.97Å; I251-R254 WeakPolarHBondContact O-CB 3.16Å; I251-R254 PolarHBondContact O-N 3.17Å; I251-R254 VanDerWaalsContact O-N 3.12Å; R254-K258 WeakPolarHBondContact O-CG 3.47Å; R254-K258 PolarHBondContact O-N 2.88Å; R254-K258 VanDerWaalsContact O-N 3.13Å |
| 255 | E | 98.2 | Very high | 97.5 | Very high | 55 Ų | 55 | 95.4 Ų | 95.4 | 26% | 0.257 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -74.3 | -32 | 177.1 | -55.2 | -44.4 | 125.5 | 0 | 0 | 112.5 | I251 K252 R253 K258 R259 A710 | I251-E255 HydrophobicContact CG2-CG 4.34Å; I251-E255 WeakPolarHBondContact O-CG 3.46Å; I251-E255 PolarHBondContact O-N 3.19Å; K252-E255 PolarHBondContact O-N 3.25Å; R253-E255 PolarHBondContact O-N 3.43Å; E255-K258 PolarHBondContact O-N 2.81Å; E255-K258 IonicContact OE1-NZ 2.75Å; E255-K258 PolarHBondContact OE1-NZ 3.06Å; E255-K258 WeakPolarHBondContact OE2-CD 3.34Å; E255-K258 IonicContact OE2-NZ 2.96Å; E255-K258 PolarHBondContact OE2-NZ 2.81Å; E255-R259 PolarHBondContact O-N 3Å; E255-A710 HydrophobicContact CG-CB 4.23Å |
| 256 | K | 97.6 | Very high | 97.5 | Very high | 122 Ų | 122 | 98.3 Ų | 98.3 | 53% | 0.53 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.9 | -50.1 | 170.4 | -173.2 | 176.7 | -172.3 | -80.6 | 0 | 111.1 | K252 R253 K258 R259 E260 | K252-K256 WeakPolarHBondContact O-CB 3.26Å; K252-K256 PolarHBondContact O-N 3.19Å; R253-K256 WeakPolarHBondContact O-CB 3.49Å; R253-K256 PolarHBondContact O-N 3.01Å; K256-K258 PolarHBondContact O-N 3.47Å; K256-R259 WeakPolarHBondContact O-CA 3.39Å; K256-R259 VanDerWaalsContact O-CB 3.32Å; K256-R259 WeakPolarHBondContact O-CB 3.45Å; K256-R259 PolarHBondContact O-N 3.19Å; K256-E260 IonicContact NZ-OE1 3.46Å; K256-E260 PolarHBondContact NZ-OE1 3.45Å; K256-E260 WeakPolarHBondContact O-CG 3.19Å; K256-E260 PolarHBondContact O-N 3.21Å |
| 257 | S | 97.8 | Very high | 97.5 | Very high | 68 Ų | 68 | 98.8 Ų | 98.8 | 48% | 0.476 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70.8 | -26.8 | -179.1 | -60.4 | 0 | 0 | 0 | 0 | 114.2 | R253 E260 L261 | R253-S257 PolarHBondContact O-N 2.87Å; R253-S257 PolarHBondContact O-OG 2.93Å; S257-E260 VanDerWaalsContact CA-OE2 3.27Å; S257-E260 WeakPolarHBondContact CA-OE2 3.17Å; S257-E260 PolarHBondContact OG-OE2 3.26Å; S257-L261 VanDerWaalsContact O-CB 3.3Å; S257-L261 WeakPolarHBondContact O-CB 3.44Å; S257-L261 PolarHBondContact O-N 2.64Å |
| 258 | K | 98.3 | Very high | 97.2 | Very high | 109 Ų | 109 | 97 Ų | 97 | 47% | 0.474 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 165.6 | -74 | 169.3 | -179.5 | 175.9 | 0 | 112.2 | R254 E255 K256 L261 L262 | R254-K258 WeakPolarHBondContact O-CG 3.47Å; R254-K258 PolarHBondContact O-N 2.88Å; R254-K258 VanDerWaalsContact O-N 3.13Å; E255-K258 PolarHBondContact O-N 2.81Å; E255-K258 IonicContact OE1-NZ 2.75Å; E255-K258 PolarHBondContact OE1-NZ 3.06Å; E255-K258 WeakPolarHBondContact OE2-CD 3.34Å; E255-K258 IonicContact OE2-NZ 2.96Å; E255-K258 PolarHBondContact OE2-NZ 2.81Å; K256-K258 PolarHBondContact O-N 3.47Å; K258-L261 PolarHBondContact O-N 3.13Å; K258-L262 WeakPolarHBondContact O-CB 3.44Å; K258-L262 PolarHBondContact O-N 3.36Å |
| 259 | R | 97.7 | Very high | 97.1 | Very high | 169 Ų | 169 | 99.8 Ų | 99.8 | 64% | 0.638 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.1 | -45 | 176.5 | -167.7 | -164.8 | -64.5 | -179.1 | -3.4 | 110.8 | E255 K256 L262 H263 | E255-R259 PolarHBondContact O-N 3Å; K256-R259 WeakPolarHBondContact O-CA 3.39Å; K256-R259 VanDerWaalsContact O-CB 3.32Å; K256-R259 WeakPolarHBondContact O-CB 3.45Å; K256-R259 PolarHBondContact O-N 3.19Å; R259-L262 PolarHBondContact O-N 3.18Å; R259-H263 PolarHBondContact O-CD2 2.84Å; R259-H263 PolarHBondContact O-N 2.87Å |
| 260 | E | 97.4 | Very high | 97 | Very high | 87 Ų | 87 | 101.6 Ų | 101.6 | 41% | 0.407 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60 | -45 | 175.3 | -68.8 | 164 | 159.8 | 0 | 0 | 111.6 | K256 S257 L262 H263 L264 | K256-E260 IonicContact NZ-OE1 3.46Å; K256-E260 PolarHBondContact NZ-OE1 3.45Å; K256-E260 WeakPolarHBondContact O-CG 3.19Å; K256-E260 PolarHBondContact O-N 3.21Å; S257-E260 VanDerWaalsContact CA-OE2 3.27Å; S257-E260 WeakPolarHBondContact CA-OE2 3.17Å; S257-E260 PolarHBondContact OG-OE2 3.26Å; E260-L262 VanDerWaalsContact C-N 3.34Å; E260-L262 PolarHBondContact O-N 3.15Å; E260-H263 PolarHBondContact O-N 3.25Å; E260-L264 WeakPolarHBondContact O-CB 3.41Å; E260-L264 PolarHBondContact O-N 3.43Å |
| 261 | L | 97.4 | Very high | 96.8 | Very high | 108 Ų | 108 | 100.1 Ų | 100.1 | 57% | 0.565 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.4 | -39.2 | 174 | 179.3 | 62 | 0 | 0 | 0 | 112.5 | S257 K258 T265 | S257-L261 VanDerWaalsContact O-CB 3.3Å; S257-L261 WeakPolarHBondContact O-CB 3.44Å; S257-L261 PolarHBondContact O-N 2.64Å; K258-L261 PolarHBondContact O-N 3.13Å; L261-T265 WeakPolarHBondContact O-CB 3.43Å; L261-T265 PolarHBondContact O-N 3.39Å; L261-T265 PolarHBondContact O-OG1 3Å |
| 262 | L | 97.8 | Very high | 96.6 | Very high | 103 Ų | 103 | 101 Ų | 101 | 54% | 0.539 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.4 | -46 | 176.3 | -177 | 64.7 | 0 | 0 | 0 | 111.6 | K258 R259 E260 L264 T265 L266 | K258-L262 WeakPolarHBondContact O-CB 3.44Å; K258-L262 PolarHBondContact O-N 3.36Å; R259-L262 PolarHBondContact O-N 3.18Å; E260-L262 VanDerWaalsContact C-N 3.34Å; E260-L262 PolarHBondContact O-N 3.15Å; L262-L264 PolarHBondContact O-N 2.82Å; L262-T265 WeakPolarHBondContact O-CB 3.39Å; L262-T265 PolarHBondContact O-N 3.26Å; L262-L266 HydrophobicContact CG-CD1 4.42Å; L262-L266 WeakPolarHBondContact O-CG 3.3Å; L262-L266 PolarHBondContact O-N 2.58Å |
| 263 | H | 97.3 | Very high | 96.5 | Very high | 120 Ų | 120 | 103 Ų | 103 | 56% | 0.556 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59.8 | -45.6 | 175.1 | -73.2 | -65 | 0 | 0 | 0 | 111.6 | R259 E260 T265 L266 E267 | R259-H263 PolarHBondContact O-CD2 2.84Å; R259-H263 PolarHBondContact O-N 2.87Å; E260-H263 PolarHBondContact O-N 3.25Å; H263-T265 VanDerWaalsContact C-N 3.3Å; H263-T265 PolarHBondContact O-N 3.49Å; H263-L266 PolarHBondContact O-N 2.79Å; H263-E267 PolarHBondContact O-N 2.87Å |
| 264 | L | 96.5 | Very high | 96.3 | Very high | 87 Ų | 87 | 101 Ų | 101 | 46% | 0.455 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.4 | -36.3 | 175.8 | -179.7 | 61.6 | 0 | 0 | 0 | 112.1 | E260 L262 E267 I268 | E260-L264 WeakPolarHBondContact O-CB 3.41Å; E260-L264 PolarHBondContact O-N 3.43Å; L262-L264 PolarHBondContact O-N 2.82Å; L264-E267 PolarHBondContact O-N 3.45Å; L264-I268 HydrophobicContact CD1-CD1 4.04Å; L264-I268 HydrophobicContact CD1-CG1 4.25Å; L264-I268 HydrophobicContact CG-CD1 3.89Å; L264-I268 WeakPolarHBondContact O-CB 3.26Å; L264-I268 WeakPolarHBondContact O-CD1 3.48Å; L264-I268 WeakPolarHBondContact O-CG1 3.31Å; L264-I268 PolarHBondContact O-N 3.41Å |
| 265 | T | 95.8 | Very high | 96 | Very high | 76 Ų | 76 | 100.2 Ų | 100.2 | 47% | 0.466 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.7 | -41 | 176.4 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | L261 L262 H263 M269 | L261-T265 WeakPolarHBondContact O-CB 3.43Å; L261-T265 PolarHBondContact O-N 3.39Å; L261-T265 PolarHBondContact O-OG1 3Å; L262-T265 WeakPolarHBondContact O-CB 3.39Å; L262-T265 PolarHBondContact O-N 3.26Å; H263-T265 VanDerWaalsContact C-N 3.3Å; H263-T265 PolarHBondContact O-N 3.49Å; T265-M269 PolarHBondContact O-N 3.14Å |
| 266 | L | 96.6 | Very high | 95.7 | Very high | 98 Ų | 98 | 99.3 Ų | 99.3 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.3 | -44.4 | 174.9 | -68.9 | 169.6 | 0 | 0 | 0 | 111.5 | L262 H263 I268 M269 E270 | L262-L266 HydrophobicContact CG-CD1 4.42Å; L262-L266 WeakPolarHBondContact O-CG 3.3Å; L262-L266 PolarHBondContact O-N 2.58Å; H263-L266 PolarHBondContact O-N 2.79Å; L266-I268 PolarHBondContact O-N 3.47Å; L266-M269 WeakPolarHBondContact O-CB 3.3Å; L266-M269 PolarHBondContact O-N 3.12Å; L266-E270 PolarHBondContact O-N 3.44Å |
| 267 | E | 96.3 | Very high | 95.5 | Very high | 94 Ų | 94 | 93.9 Ų | 93.9 | 44% | 0.439 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 175.7 | -179.7 | 173.4 | -155.2 | 0 | 0 | 111.6 | H263 L264 M269 E270 K271 | H263-E267 PolarHBondContact O-N 2.87Å; L264-E267 PolarHBondContact O-N 3.45Å; E267-M269 VanDerWaalsContact C-N 3.29Å; E267-M269 PolarHBondContact O-N 3.08Å; E267-E270 WeakPolarHBondContact O-CB 3.02Å; E267-E270 PolarHBondContact O-N 2.91Å; E267-K271 HydrophobicContact CG-CD 4.31Å; E267-K271 HydrophobicContact CG-CG 4.24Å; E267-K271 WeakPolarHBondContact O-CG 3.47Å; E267-K271 PolarHBondContact O-N 3.1Å; E267-K271 WeakPolarHBondContact OE1-CE 3.46Å; E267-K271 IonicContact OE1-NZ 3.7Å; E267-K271 PolarHBondContact OE1-NZ 2.91Å |
| 268 | I | 93.1 | Very high | 95.1 | Very high | 50 Ų | 50 | 98.5 Ų | 98.5 | 26% | 0.256 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 175.2 | -73.9 | 167.5 | 0 | 0 | 0 | 110.7 | L264 L266 K271 R272 M283 | L264-I268 HydrophobicContact CD1-CD1 4.04Å; L264-I268 HydrophobicContact CD1-CG1 4.25Å; L264-I268 HydrophobicContact CG-CD1 3.89Å; L264-I268 WeakPolarHBondContact O-CB 3.26Å; L264-I268 WeakPolarHBondContact O-CD1 3.48Å; L264-I268 WeakPolarHBondContact O-CG1 3.31Å; L264-I268 PolarHBondContact O-N 3.41Å; L266-I268 PolarHBondContact O-N 3.47Å; I268-K271 PolarHBondContact O-N 2.87Å; I268-R272 HydrophobicContact CG2-CG 4.4Å; I268-R272 WeakPolarHBondContact O-CB 3.46Å; I268-R272 VanDerWaalsContact O-CG 3.23Å; I268-R272 WeakPolarHBondContact O-CG 3.25Å; I268-R272 PolarHBondContact O-N 3.33Å; I268-M283 HydrophobicContact CD1-CE 4.5Å; I268-M283 HydrophobicContact CG2-CE 3.68Å; I268-M283 HydrophobicContact CG2-SD 3.75Å |
| 269 | M | 94.4 | Very high | 94.6 | Very high | 122 Ų | 122 | 97.3 Ų | 97.3 | 60% | 0.601 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.7 | -43.7 | 175.9 | -164.3 | -166.1 | 85.1 | 0 | 0 | 111.6 | T265 L266 E267 R272 Y273 | T265-M269 PolarHBondContact O-N 3.14Å; L266-M269 WeakPolarHBondContact O-CB 3.3Å; L266-M269 PolarHBondContact O-N 3.12Å; E267-M269 VanDerWaalsContact C-N 3.29Å; E267-M269 PolarHBondContact O-N 3.08Å; M269-R272 PolarHBondContact O-N 2.88Å; M269-Y273 WeakPolarHBondContact O-CB 3.43Å; M269-Y273 PolarHBondContact O-N 3.23Å |
| 270 | E | 95.5 | Very high | 94.1 | Very high | 100 Ų | 100 | 90 Ų | 90 | 47% | 0.467 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.4 | -47 | 177.2 | -164.8 | -152.1 | 161 | 0 | 0 | 111.7 | L266 E267 R272 Y273 N274 | L266-E270 PolarHBondContact O-N 3.44Å; E267-E270 WeakPolarHBondContact O-CB 3.02Å; E267-E270 PolarHBondContact O-N 2.91Å; E270-R272 PolarHBondContact O-N 3.46Å; E270-Y273 PolarHBondContact O-N 3.49Å; E270-N274 WeakPolarHBondContact O-CB 3.32Å; E270-N274 VanDerWaalsContact O-CG 3.24Å; E270-N274 PolarHBondContact O-N 2.62Å; E270-N274 PolarHBondContact O-ND2 3.05Å |
| 271 | K | 93.6 | Very high | 93.8 | Very high | 91 Ų | 91 | 92.5 Ų | 92.5 | 40% | 0.396 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 176.9 | -58.8 | -31.8 | -176.4 | -142.5 | 0 | 111.1 | E267 I268 Y273 N274 L275 | E267-K271 HydrophobicContact CG-CD 4.31Å; E267-K271 HydrophobicContact CG-CG 4.24Å; E267-K271 WeakPolarHBondContact O-CG 3.47Å; E267-K271 PolarHBondContact O-N 3.1Å; E267-K271 WeakPolarHBondContact OE1-CE 3.46Å; E267-K271 IonicContact OE1-NZ 3.7Å; E267-K271 PolarHBondContact OE1-NZ 2.91Å; I268-K271 PolarHBondContact O-N 2.87Å; K271-Y273 PolarHBondContact O-N 3.34Å; K271-N274 PolarHBondContact O-N 3.15Å; K271-L275 WeakPolarHBondContact O-CB 3.32Å; K271-L275 VanDerWaalsContact O-CG 3.23Å; K271-L275 WeakPolarHBondContact O-CG 3.29Å; K271-L275 PolarHBondContact O-N 3.17Å |
| 272 | R | 93.9 | Very high | 93.3 | Very high | 71 Ų | 71 | 91.2 Ų | 91.2 | 27% | 0.268 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 176.9 | -74.9 | 179.1 | 67 | -140.3 | -17.7 | 112 | I268 M269 E270 L275 G276 D277 M283 | I268-R272 HydrophobicContact CG2-CG 4.4Å; I268-R272 WeakPolarHBondContact O-CB 3.46Å; I268-R272 VanDerWaalsContact O-CG 3.23Å; I268-R272 WeakPolarHBondContact O-CG 3.25Å; I268-R272 PolarHBondContact O-N 3.33Å; M269-R272 PolarHBondContact O-N 2.88Å; E270-R272 PolarHBondContact O-N 3.46Å; R272-L275 CarbonylContact O-C 3.59Å; R272-L275 PolarHBondContact O-N 3.35Å; R272-G276 PolarHBondContact O-N 3.47Å; R272-G276 VanDerWaalsContact O-N 3.07Å; R272-D277 HydrophobicContact CB-CB 4.12Å; R272-D277 HydrophobicContact CG-CB 4.29Å; R272-D277 WeakPolarHBondContact CG-OD2 3.3Å; R272-D277 IonicContact CZ-OD2 3.64Å; R272-D277 IonicContact NE-OD2 2.76Å; R272-D277 PolarHBondContact NE-OD2 3.25Å; R272-D277 PolarHBondContact NH2-O 3.19Å; R272-D277 IonicContact NH2-OD2 3.72Å; R272-D277 PolarHBondContact O-N 2.94Å; R272-M283 HydrophobicContact CG-CB 4.42Å |
| 273 | Y | 94.4 | Very high | 92.8 | Very high | 149 Ų | 149 | 88.8 Ų | 88.8 | 58% | 0.584 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60.2 | -48.7 | 175.1 | -178.8 | -91.4 | 0 | 0 | 0 | 111.5 | M269 E270 K271 L275 G276 Y278 | M269-Y273 WeakPolarHBondContact O-CB 3.43Å; M269-Y273 PolarHBondContact O-N 3.23Å; E270-Y273 PolarHBondContact O-N 3.49Å; K271-Y273 PolarHBondContact O-N 3.34Å; Y273-L275 PolarHBondContact O-N 2.68Å; Y273-G276 PolarHBondContact O-N 3.01Å; Y273-Y278 AromaticContact CD2-CE1 3.87Å; Y273-Y278 HydrophobicContact CD2-CE1 3.87Å; Y273-Y278 HydrophobicContact CE2-CE1 4.05Å |
| 274 | N | 94.6 | Very high | 92.4 | Very high | 106 Ų | 106 | 86.8 Ų | 86.8 | 57% | 0.567 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.7 | -22.3 | 178.4 | -68.4 | -24.3 | 0 | 0 | 0 | 113.6 | E270 K271 | E270-N274 WeakPolarHBondContact O-CB 3.32Å; E270-N274 VanDerWaalsContact O-CG 3.24Å; E270-N274 PolarHBondContact O-N 2.62Å; E270-N274 PolarHBondContact O-ND2 3.05Å; K271-N274 PolarHBondContact O-N 3.15Å |
| 275 | L | 92.4 | Very high | 92.1 | Very high | 120 Ų | 120 | 88.2 Ų | 88.2 | 63% | 0.628 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -5.7 | 173.6 | -70.3 | 169.7 | 0 | 0 | 0 | 113.6 | K271 R272 Y273 D277 | K271-L275 WeakPolarHBondContact O-CB 3.32Å; K271-L275 VanDerWaalsContact O-CG 3.23Å; K271-L275 WeakPolarHBondContact O-CG 3.29Å; K271-L275 PolarHBondContact O-N 3.17Å; R272-L275 CarbonylContact O-C 3.59Å; R272-L275 PolarHBondContact O-N 3.35Å; Y273-L275 PolarHBondContact O-N 2.68Å; L275-D277 VanDerWaalsContact C-N 3.27Å; L275-D277 PolarHBondContact O-N 3.39Å |
| 276 | G | 91.6 | Very high | 91.6 | Very high | 36 Ų | 36 | 87.1 Ų | 87.1 | 37% | 0.371 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 16 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115 | R272 Y273 Y278 | R272-G276 PolarHBondContact O-N 3.47Å; R272-G276 VanDerWaalsContact O-N 3.07Å; Y273-G276 PolarHBondContact O-N 3.01Å; G276-Y278 WeakPolarHBondContact O-CD2 3.09Å; G276-Y278 PolarHBondContact O-N 3.17Å |
| 277 | D | 92.2 | Very high | 91.2 | Very high | 7 Ų | 7 | 86.6 Ų | 86.6 | 4% | 0.037 | 44% | 0.437 | C | S | . | . | trans | -76.4 | 58.2 | 179 | -179.1 | 41.3 | 0 | 0 | 0 | 111.6 | R272 L275 G280 E281 I282 M283 | R272-D277 HydrophobicContact CB-CB 4.12Å; R272-D277 HydrophobicContact CG-CB 4.29Å; R272-D277 WeakPolarHBondContact CG-OD2 3.3Å; R272-D277 IonicContact CZ-OD2 3.64Å; R272-D277 IonicContact NE-OD2 2.76Å; R272-D277 PolarHBondContact NE-OD2 3.25Å; R272-D277 PolarHBondContact NH2-O 3.19Å; R272-D277 IonicContact NH2-OD2 3.72Å; R272-D277 PolarHBondContact O-N 2.94Å; L275-D277 VanDerWaalsContact C-N 3.27Å; L275-D277 PolarHBondContact O-N 3.39Å; D277-G280 PolarHBondContact O-N 3.12Å; D277-G280 VanDerWaalsContact OD1-C 3.25Å; D277-G280 WeakPolarHBondContact OD1-CA 3.43Å; D277-G280 PolarHBondContact OD1-N 3.1Å; D277-G280 VanDerWaalsContact OD1-N 3.11Å; D277-G280 WeakPolarHBondContact OD2-CA 3.48Å; D277-E281 PolarHBondContact OD1-N 2.95Å; D277-I282 HydrophobicContact CB-CB 4.19Å; D277-I282 HydrophobicContact CB-CD1 4.18Å; D277-I282 HydrophobicContact CB-CG1 4.24Å; D277-I282 PolarHBondContact OD1-N 3.2Å; D277-M283 WeakPolarHBondContact OD2-CB 3.33Å; D277-M283 PolarHBondContact OD2-N 2.89Å | ||
| 278 | Y | 89.6 | Confident | 90.7 | Very high | 166 Ų | 166 | 85.2 Ų | 85.2 | 65% | 0.651 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -68.5 | -35.4 | -177.7 | -55.7 | -66.3 | 0 | 0 | 0 | 112.3 | Y273 G276 | Y273-Y278 AromaticContact CD2-CE1 3.87Å; Y273-Y278 HydrophobicContact CD2-CE1 3.87Å; Y273-Y278 HydrophobicContact CE2-CE1 4.05Å; G276-Y278 WeakPolarHBondContact O-CD2 3.09Å; G276-Y278 PolarHBondContact O-N 3.17Å |
| 279 | S | 89.3 | Confident | 90.2 | Very high | 84 Ų | 84 | 89 Ų | 89 | 59% | 0.587 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -75 | -28.2 | 176.8 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | E281 | S279-E281 WeakPolarHBondContact CB-OE1 3.41Å; S279-E281 PolarHBondContact OG-OE1 3.37Å |
| 280 | G | 86.9 | Confident | 89.3 | Confident | 14 Ų | 14 | 92.2 Ų | 92.2 | 14% | 0.144 | 46% | 0.464 | C | S | . | . | S | Bend | trans | 88.5 | 15.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D277 S284 | D277-G280 PolarHBondContact O-N 3.12Å; D277-G280 VanDerWaalsContact OD1-C 3.25Å; D277-G280 WeakPolarHBondContact OD1-CA 3.43Å; D277-G280 PolarHBondContact OD1-N 3.1Å; D277-G280 VanDerWaalsContact OD1-N 3.11Å; D277-G280 WeakPolarHBondContact OD2-CA 3.48Å; G280-S284 VanDerWaalsContact O-CB 3.22Å; G280-S284 WeakPolarHBondContact O-CB 3.47Å; G280-S284 PolarHBondContact O-N 3.05Å |
| 281 | E | 90 | Very high | 87.8 | Confident | 141 Ų | 141 | 93.6 Ų | 93.6 | 66% | 0.659 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.7 | -45.3 | 176.7 | -73.6 | 162.1 | -113.3 | 0 | 0 | 111.3 | D277 S279 S284 E285 | D277-E281 PolarHBondContact OD1-N 2.95Å; S279-E281 WeakPolarHBondContact CB-OE1 3.41Å; S279-E281 PolarHBondContact OG-OE1 3.37Å; E281-S284 WeakPolarHBondContact O-CB 3.41Å; E281-S284 PolarHBondContact O-N 2.96Å; E281-E285 PolarHBondContact O-N 3.19Å |
| 282 | I | 87.7 | Confident | 86.2 | Confident | 81 Ų | 81 | 94.1 Ų | 94.1 | 42% | 0.415 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 179.4 | -53.2 | -175.8 | 0 | 0 | 0 | 109.9 | D277 S284 E285 V286 | D277-I282 HydrophobicContact CB-CB 4.19Å; D277-I282 HydrophobicContact CB-CD1 4.18Å; D277-I282 HydrophobicContact CB-CG1 4.24Å; D277-I282 PolarHBondContact OD1-N 3.2Å; I282-S284 VanDerWaalsContact C-N 3.33Å; I282-S284 PolarHBondContact O-N 2.71Å; I282-E285 PolarHBondContact O-N 3.1Å; I282-V286 WeakPolarHBondContact O-CG2 3.14Å; I282-V286 PolarHBondContact O-N 3.45Å |
| 283 | M | 87.4 | Confident | 84.6 | Confident | 51 Ų | 51 | 97.1 Ų | 97.1 | 25% | 0.251 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 173.3 | -179.3 | 63.2 | 173.5 | 0 | 0 | 112.7 | I268 R272 D277 M287 | I268-M283 HydrophobicContact CD1-CE 4.5Å; I268-M283 HydrophobicContact CG2-CE 3.68Å; I268-M283 HydrophobicContact CG2-SD 3.75Å; R272-M283 HydrophobicContact CG-CB 4.42Å; D277-M283 WeakPolarHBondContact OD2-CB 3.33Å; D277-M283 PolarHBondContact OD2-N 2.89Å; M283-M287 HydrophobicContact CE-CE 3.41Å; M283-M287 VanDerWaalsContact CE-CE 3.41Å; M283-M287 HydrophobicContact CE-CG 4.23Å; M283-M287 VanDerWaalsContact O-CB 3.29Å; M283-M287 WeakPolarHBondContact O-CB 3.32Å; M283-M287 VanDerWaalsContact O-CG 3.26Å; M283-M287 WeakPolarHBondContact O-CG 3.43Å; M283-M287 PolarHBondContact O-N 2.96Å; M283-M287 HydrophobicContact SD-CE 4.38Å; M283-M287 HydrophobicContact SD-CG 4.41Å |
| 284 | S | 88.9 | Confident | 82.5 | Confident | 79 Ų | 79 | 98.4 Ų | 98.4 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.2 | -41.5 | 177 | -173.2 | 0 | 0 | 0 | 0 | 111.6 | G280 E281 I282 M287 A288 | G280-S284 VanDerWaalsContact O-CB 3.22Å; G280-S284 WeakPolarHBondContact O-CB 3.47Å; G280-S284 PolarHBondContact O-N 3.05Å; E281-S284 WeakPolarHBondContact O-CB 3.41Å; E281-S284 PolarHBondContact O-N 2.96Å; I282-S284 VanDerWaalsContact C-N 3.33Å; I282-S284 PolarHBondContact O-N 2.71Å; S284-M287 PolarHBondContact O-N 3.22Å; S284-A288 WeakPolarHBondContact O-CB 3.34Å; S284-A288 PolarHBondContact O-N 3.48Å |
| 285 | E | 88.9 | Confident | 80.2 | Confident | 116 Ų | 116 | 98.7 Ų | 98.7 | 54% | 0.542 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -49.5 | 175.6 | -162.8 | -164.6 | 154.1 | 0 | 0 | 111.1 | E281 I282 M287 A288 Q289 | E281-E285 PolarHBondContact O-N 3.19Å; I282-E285 PolarHBondContact O-N 3.1Å; E285-M287 VanDerWaalsContact C-N 3.27Å; E285-M287 PolarHBondContact O-N 2.66Å; E285-A288 WeakPolarHBondContact O-CB 3.37Å; E285-A288 PolarHBondContact O-N 2.9Å; E285-Q289 WeakPolarHBondContact O-CG 3.4Å; E285-Q289 PolarHBondContact O-N 2.88Å; E285-Q289 PolarHBondContact OE1-NE2 3.45Å |
| 286 | V | 87.1 | Confident | 78 | Confident | 53 Ų | 53 | 99.1 Ų | 99.1 | 32% | 0.321 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.1 | -36.5 | 176.8 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | I282 R290 | I282-V286 WeakPolarHBondContact O-CG2 3.14Å; I282-V286 PolarHBondContact O-N 3.45Å; V286-R290 HydrophobicContact CG1-CG 4.42Å; V286-R290 VanDerWaalsContact O-CB 3.22Å; V286-R290 WeakPolarHBondContact O-CB 3.47Å; V286-R290 VanDerWaalsContact O-CG 3.25Å; V286-R290 WeakPolarHBondContact O-CG 3.48Å; V286-R290 PolarHBondContact O-N 2.77Å |
| 287 | M | 86.3 | Confident | 76.2 | Confident | 87 Ų | 87 | 106.9 Ų | 106.9 | 43% | 0.429 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.6 | -28.3 | 174.4 | -77.9 | -67.2 | -178.7 | 0 | 0 | 113.7 | M283 S284 E285 Q291 | M283-M287 HydrophobicContact CE-CE 3.41Å; M283-M287 VanDerWaalsContact CE-CE 3.41Å; M283-M287 HydrophobicContact CE-CG 4.23Å; M283-M287 VanDerWaalsContact O-CB 3.29Å; M283-M287 WeakPolarHBondContact O-CB 3.32Å; M283-M287 VanDerWaalsContact O-CG 3.26Å; M283-M287 WeakPolarHBondContact O-CG 3.43Å; M283-M287 PolarHBondContact O-N 2.96Å; M283-M287 HydrophobicContact SD-CE 4.38Å; M283-M287 HydrophobicContact SD-CG 4.41Å; S284-M287 PolarHBondContact O-N 3.22Å; E285-M287 VanDerWaalsContact C-N 3.27Å; E285-M287 PolarHBondContact O-N 2.66Å; M287-Q291 PolarHBondContact O-N 3.28Å; M287-Q291 VanDerWaalsContact O-N 3.14Å; M287-Q291 PolarHBondContact O-NE2 3.47Å |
| 288 | A | 87.4 | Confident | 73.8 | Confident | 65 Ų | 65 | 111.5 Ų | 111.5 | 54% | 0.537 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -73.3 | -44.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S284 E285 R290 Q291 | S284-A288 WeakPolarHBondContact O-CB 3.34Å; S284-A288 PolarHBondContact O-N 3.48Å; E285-A288 WeakPolarHBondContact O-CB 3.37Å; E285-A288 PolarHBondContact O-N 2.9Å; A288-R290 VanDerWaalsContact C-N 3.27Å; A288-R290 PolarHBondContact O-N 3.43Å; A288-Q291 WeakPolarHBondContact O-CB 3.45Å; A288-Q291 PolarHBondContact O-N 2.82Å |
| 289 | Q | 81.9 | Confident | 71.7 | Confident | 131 Ų | 131 | 110.7 Ų | 110.7 | 61% | 0.612 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.5 | -32.3 | 173.1 | -66.3 | 177.8 | 14.4 | 0 | 0 | 112.4 | E285 | E285-Q289 WeakPolarHBondContact O-CG 3.4Å; E285-Q289 PolarHBondContact O-N 2.88Å; E285-Q289 PolarHBondContact OE1-NE2 3.45Å |
| 290 | R | 74.9 | Confident | 69.6 | Low | 189 Ų | 189 | 111.7 Ų | 111.7 | 71% | 0.713 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -1.9 | 175.4 | -73.8 | -176.8 | 178.7 | -157.9 | 2.3 | 114.8 | V286 A288 | V286-R290 HydrophobicContact CG1-CG 4.42Å; V286-R290 VanDerWaalsContact O-CB 3.22Å; V286-R290 WeakPolarHBondContact O-CB 3.47Å; V286-R290 VanDerWaalsContact O-CG 3.25Å; V286-R290 WeakPolarHBondContact O-CG 3.48Å; V286-R290 PolarHBondContact O-N 2.77Å; A288-R290 VanDerWaalsContact C-N 3.27Å; A288-R290 PolarHBondContact O-N 3.43Å |
| 291 | Q | 64.6 | Low | 67.5 | Low | 128 Ų | 128 | 118.9 Ų | 118.9 | 60% | 0.598 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -58.5 | 129.8 | 164.3 | -72.7 | -55.2 | -62.3 | 0 | 0 | 107.5 | M287 A288 V293 | M287-Q291 PolarHBondContact O-N 3.28Å; M287-Q291 VanDerWaalsContact O-N 3.14Å; M287-Q291 PolarHBondContact O-NE2 3.47Å; A288-Q291 WeakPolarHBondContact O-CB 3.45Å; A288-Q291 PolarHBondContact O-N 2.82Å; Q291-V293 PolarHBondContact O-N 2.98Å |
| 292 | P | 60.4 | Low | 65.2 | Low | 103 Ų | 103 | 118.7 Ų | 118.7 | 67% | 0.669 | 64% | 0.637 | S | S | * | * | trans | -61 | 113.9 | 174.7 | 25.2 | -32.1 | 0 | 0 | 0 | 107.6 | K294 | P292-K294 VanDerWaalsContact C-N 3.33Å; P292-K294 PolarHBondContact O-N 3.47Å | ||
| 293 | V | 60.3 | Low | 62.9 | Low | 134 Ų | 134 | 120 Ų | 120 | 81% | 0.812 | 65% | 0.65 | S | S | * | * | trans | -52.9 | 107.3 | 161.6 | 177.4 | 0 | 0 | 0 | 0 | 104.8 | Q291 P295 | Q291-V293 PolarHBondContact O-N 2.98Å; V293-P295 WeakPolarHBondContact O-CD 3.31Å; V293-P295 VanDerWaalsContact O-N 3.09Å | ||
| 294 | K | 50.8 | Low | 60.5 | Low | 176 Ų | 176 | 125.5 Ų | 125.5 | 77% | 0.765 | 68% | 0.679 | S | S | * | * | trans | -52 | 123.2 | -176.6 | -67.1 | 178.2 | -179 | 176.7 | 0 | 106.5 | P292 T296 | P292-K294 VanDerWaalsContact C-N 3.33Å; P292-K294 PolarHBondContact O-N 3.47Å; K294-T296 PolarHBondContact O-N 3.22Å; K294-T296 PolarHBondContact O-OG1 3.26Å | ||
| 295 | P | 45.8 | Very low | 57.9 | Low | 111 Ų | 111 | 127.5 Ų | 127.5 | 72% | 0.721 | 69% | 0.688 | S | S | * | * | trans | -63.1 | 105.3 | 178.4 | 23.6 | -31.7 | 0 | 0 | 0 | 107.7 | V293 Y297 | V293-P295 WeakPolarHBondContact O-CD 3.31Å; V293-P295 VanDerWaalsContact O-N 3.09Å; P295-Y297 PolarHBondContact O-N 3.31Å | ||
| 296 | T | 46.4 | Very low | 55.2 | Low | 129 Ų | 129 | 130 Ų | 130 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | trans | -76.7 | 49.5 | -179.3 | -48.6 | 0 | 0 | 0 | 0 | 110.6 | K294 | K294-T296 PolarHBondContact O-N 3.22Å; K294-T296 PolarHBondContact O-OG1 3.26Å | ||
| 297 | Y | 52.7 | Low | 52.5 | Low | 199 Ų | 199 | 132.7 Ų | 132.7 | 78% | 0.78 | 73% | 0.727 | S | S | * | * | trans | -135.1 | 92.5 | 172.2 | -71.1 | -71 | 0 | 0 | 0 | 107 | P295 I299 | P295-Y297 PolarHBondContact O-N 3.31Å; Y297-I299 VanDerWaalsContact C-N 3.34Å; Y297-I299 PolarHBondContact O-N 2.96Å | ||
| 298 | A | 42.3 | Very low | 49.8 | Very low | 105 Ų | 105 | 134 Ų | 134 | 87% | 0.868 | 74% | 0.744 | S | S | * | * | trans | -67.5 | 96.1 | 168 | 0 | 0 | 0 | 0 | 0 | 108.3 | P300 | A298-P300 WeakPolarHBondContact O-CD 3.15Š| ||
| 299 | I | 46.3 | Very low | 47.3 | Very low | 148 Ų | 148 | 140.1 Ų | 140.1 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -72 | 118.3 | 167.3 | -59.9 | 174.7 | 0 | 0 | 0 | 106.6 | Y297 I301 | Y297-I299 VanDerWaalsContact C-N 3.34Å; Y297-I299 PolarHBondContact O-N 2.96Å; I299-I301 PolarHBondContact O-N 3.12Å |
| 300 | P | 44.5 | Very low | 44.7 | Very low | 105 Ų | 105 | 143.6 Ų | 143.6 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -69 | 123.1 | 177.4 | 27.7 | -32.7 | 0 | 0 | 0 | 109.7 | A298 I302 | A298-P300 WeakPolarHBondContact O-CD 3.15Å; P300-I302 PolarHBondContact O-N 3.07Å |
| 301 | I | 43 | Very low | 42.9 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 117.1 | 170.5 | -65 | 164.6 | 0 | 0 | 0 | 107.7 | I299 | I299-I301 PolarHBondContact O-N 3.12Š|
| 302 | I | 42.3 | Very low | 41.1 | Very low | 136 Ų | 136 | 146.7 Ų | 146.7 | 70% | 0.697 | 79% | 0.794 | S | S | * | * | trans | -117.5 | 141.9 | 166.2 | -65.6 | -179.6 | 0 | 0 | 0 | 106.9 | P300 | P300-I302 PolarHBondContact O-N 3.07Š| ||
| 303 | P | 38.3 | Very low | 39.5 | Very low | 109 Ų | 109 | 148 Ų | 148 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | trans | -69.9 | 141.5 | -164.5 | -20 | 33.6 | 0 | 0 | 0 | 113.8 | T305 | P303-T305 PolarHBondContact O-N 3.49Š| ||
| 304 | I | 36.9 | Very low | 37.9 | Very low | 166 Ų | 166 | 149 Ų | 149 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -86.8 | 105.1 | 166 | -58.7 | 177.5 | 0 | 0 | 0 | 108.3 | ||||
| 305 | T | 35.2 | Very low | 36.9 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -78.3 | 129.8 | 169.5 | 48 | 0 | 0 | 0 | 0 | 110.7 | P303 S307 | P303-T305 PolarHBondContact O-N 3.49Å; T305-S307 PolarHBondContact O-N 3.13Å | ||
| 306 | N | 31.3 | Very low | 36.2 | Very low | 169 Ų | 169 | 147.1 Ų | 147.1 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | trans | -76.9 | 117.6 | 167.9 | -99.5 | -28.7 | 0 | 0 | 0 | 110.6 | ||||
| 307 | S | 31.7 | Very low | 35.5 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -155.2 | 112.9 | 146.7 | 55.6 | 0 | 0 | 0 | 0 | 111.7 | T305 | T305-S307 PolarHBondContact O-N 3.13Š| ||
| 308 | S | 29.5 | Very low | 34.5 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -90 | 107.5 | 163.7 | 55.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 309 | Q | 33.2 | Very low | 34 | Very low | 193 Ų | 193 | 144.9 Ų | 144.9 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | trans | -159.7 | 145.4 | 155.5 | -117.1 | 164.7 | 76.1 | 0 | 0 | 112.1 | ||||
| 310 | F | 28.9 | Very low | 33.2 | Very low | 204 Ų | 204 | 144.2 Ų | 144.2 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | trans | -71.2 | 139.8 | -178.9 | -76.8 | -112.2 | 0 | 0 | 0 | 112 | ||||
| 311 | K | 36.2 | Very low | 32.3 | Very low | 215 Ų | 215 | 148.3 Ų | 148.3 | 94% | 0.935 | 78% | 0.775 | S | S | * | * | -168.3 | 176.8 | 127.2 | -103.3 | 154.1 | -172.1 | 177.2 | 0 | 112.3 | |||||
| 312 | H | 27.6 | Very low | 31.5 | Very low | 167 Ų | 167 | 149.6 Ų | 149.6 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -110.2 | 165.7 | -157.2 | -148.3 | -93 | 0 | 0 | 0 | 112.4 | ||||
| 313 | Q | 27.2 | Very low | 30.8 | Very low | 130 Ų | 130 | 150.2 Ų | 150.2 | 61% | 0.607 | 79% | 0.785 | S | S | * | * | trans | 77.8 | 104.2 | 159.9 | -136.3 | 75 | 30.9 | 0 | 0 | 119.9 | ||||
| 314 | E | 26.4 | Very low | 30.4 | Very low | 157 Ų | 157 | 153.2 Ų | 153.2 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | 84 | 136.3 | 126.8 | -81.9 | 175.1 | -166.7 | 0 | 0 | 127.9 | |||||
| 315 | V | 30 | Very low | 30.1 | Very low | 128 Ų | 128 | 153.3 Ų | 153.3 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 93.2 | 132 | 136.1 | 165.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 316 | T | 30.5 | Very low | 29.8 | Very low | 119 Ų | 119 | 154.4 Ų | 154.4 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | trans | -69.7 | 169 | 179 | 51.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 317 | D | 31.6 | Very low | 29.7 | Very low | 152 Ų | 152 | 151.5 Ų | 151.5 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | cis | -155 | -171 | 6.2 | -139.5 | 37 | 0 | 0 | 0 | 108.1 | ||||
| 318 | G | 30.9 | Very low | 29.7 | Very low | 54 Ų | 54 | 154.6 Ų | 154.6 | 56% | 0.557 | 76% | 0.764 | S | S | * | * | cis | 157.3 | 165.5 | 1.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 319 | K | 32 | Very low | 29.7 | Very low | 179 Ų | 179 | 154 Ų | 154 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | trans | 61.8 | 156.2 | 167.9 | -76.6 | -167.3 | 170 | -129.5 | 0 | 119.2 | ||||
| 320 | E | 30.2 | Very low | 29.4 | Very low | 134 Ų | 134 | 151.5 Ų | 151.5 | 63% | 0.626 | 76% | 0.759 | S | S | * | * | cis | -167 | 178.6 | -28 | -121.4 | -180 | 154.4 | 0 | 0 | 110.7 | ||||
| 321 | F | 24.8 | Very low | 29.4 | Very low | 191 Ų | 191 | 148.3 Ų | 148.3 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | trans | 90.7 | 157.2 | 162.7 | -84.6 | -79.9 | 0 | 0 | 0 | 123.3 | ||||
| 322 | K | 27.8 | Very low | 29 | Very low | 194 Ų | 194 | 143.8 Ų | 143.8 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | -121.9 | 169 | -161.2 | -61.1 | 174.2 | 174.8 | 174.5 | 0 | 113.2 | ||||
| 323 | V | 27 | Very low | 29 | Very low | 149 Ų | 149 | 147.3 Ų | 147.3 | 90% | 0.903 | 75% | 0.747 | S | S | * | * | trans | -160.5 | -174.4 | 130.8 | 135 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 324 | H | 28.6 | Very low | 29.5 | Very low | 171 Ų | 171 | 147 Ų | 147 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | trans | -148.9 | 172.6 | -142 | -151.8 | 18 | 0 | 0 | 0 | 115.7 | ||||
| 325 | K | 30.7 | Very low | 29.6 | Very low | 169 Ų | 169 | 148.7 Ų | 148.7 | 74% | 0.735 | 76% | 0.761 | S | S | * | * | trans | 72.7 | 157.7 | 168.1 | -79.1 | -167.1 | 174 | -170 | 0 | 117.8 | ||||
| 326 | Q | 29.6 | Very low | 29.5 | Very low | 143 Ų | 143 | 152.7 Ų | 152.7 | 67% | 0.668 | 76% | 0.762 | S | S | * | * | cis | 162.9 | 159.8 | -15.5 | -114.5 | -167.8 | -69.9 | 0 | 0 | 104.6 | ||||
| 327 | D | 29.1 | Very low | 29.5 | Very low | 108 Ų | 108 | 155.7 Ų | 155.7 | 58% | 0.578 | 77% | 0.765 | S | S | * | * | cis | -172.3 | 167 | -6.6 | -156.5 | -17.4 | 0 | 0 | 0 | 110.7 | ||||
| 328 | K | 31.4 | Very low | 29.2 | Very low | 176 Ų | 176 | 158 Ų | 158 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | trans | 68.1 | 141.5 | 164.2 | -41.7 | -156.8 | 178.3 | -163.3 | 0 | 119.7 | ||||
| 329 | A | 29.2 | Very low | 29.1 | Very low | 101 Ų | 101 | 161.4 Ų | 161.4 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | cis | 90.3 | 138.1 | 15.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 330 | D | 27.8 | Very low | 29 | Very low | 141 Ų | 141 | 161 Ų | 161 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | cis | -168.4 | 176.6 | -8.9 | 175.9 | 43.4 | 0 | 0 | 0 | 110.6 | ||||
| 331 | L | 30 | Very low | 29 | Very low | 137 Ų | 137 | 164 Ų | 164 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | 139.3 | 118.2 | 141.4 | -71.8 | 167 | 0 | 0 | 0 | 120.6 | ||||
| 332 | T | 25.9 | Very low | 29.6 | Very low | 119 Ų | 119 | 161.4 Ų | 161.4 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | trans | 59.9 | 124.3 | 137.4 | 57.1 | 0 | 0 | 0 | 0 | 127.9 | ||||
| 333 | R | 29 | Very low | 29.7 | Very low | 241 Ų | 241 | 160.4 Ų | 160.4 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | 30.2 | 154.8 | 126.1 | -82 | -178.7 | 173.3 | 172.1 | 0.5 | 122.6 | |||||
| 334 | P | 37.9 | Very low | 29.7 | Very low | 124 Ų | 124 | 160.1 Ų | 160.1 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | cis | -150.3 | -150.5 | 39.3 | 44 | -20.2 | 0 | 0 | 0 | 119 | ||||
| 335 | K | 26.9 | Very low | 29.5 | Very low | 192 Ų | 192 | 158.4 Ų | 158.4 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -70.2 | 179.7 | -167.1 | -50.6 | 176.7 | 178.2 | 177.3 | 0 | 115.9 | ||||
| 336 | R | 29 | Very low | 30.5 | Very low | 212 Ų | 212 | 155.7 Ų | 155.7 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | cis | 174.7 | 154.8 | 48.4 | -141.4 | -173.2 | -176.8 | 165.9 | 0.3 | 114.9 | ||||
| 337 | K | 29.9 | Very low | 30.2 | Very low | 182 Ų | 182 | 153.8 Ų | 153.8 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 66.6 | 168.9 | 156.7 | -67.5 | -162.2 | -179.1 | -173.5 | 0 | 120.4 | ||||
| 338 | Y | 25 | Very low | 30.1 | Very low | 201 Ų | 201 | 154 Ų | 154 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | cis | -173.4 | -179.1 | -45.1 | -150.7 | -103.3 | 0 | 0 | 0 | 110.3 | ||||
| 339 | E | 29.4 | Very low | 29.8 | Very low | 126 Ų | 126 | 150.2 Ų | 150.2 | 59% | 0.589 | 78% | 0.781 | S | S | * | * | trans | 74 | 159.6 | 174.5 | -59.8 | -68.1 | 101.4 | 0 | 0 | 117.8 | ||||
| 340 | K | 29 | Very low | 29.7 | Very low | 170 Ų | 170 | 150.2 Ų | 150.2 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | cis | -156.7 | 172 | -46.4 | -119.9 | -160.2 | -160.2 | 80.5 | 0 | 111.1 | ||||
| 341 | K | 31.1 | Very low | 29.6 | Very low | 196 Ų | 196 | 149.9 Ų | 149.9 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | trans | -72.1 | 163.1 | 178.4 | -82.4 | 179.3 | -178.8 | 177.7 | 0 | 113.2 | ||||
| 342 | P | 36.9 | Very low | 30 | Very low | 138 Ų | 138 | 148.5 Ų | 148.5 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | -148.1 | -150.1 | 56.2 | 43.5 | -20.8 | 0 | 0 | 0 | 117.9 | |||||
| 343 | K | 29.6 | Very low | 30.1 | Very low | 173 Ų | 173 | 151.7 Ų | 151.7 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -149.8 | 140.5 | -151.9 | 166.6 | -168.5 | 176.1 | -174.5 | 0 | 111.3 | ||||
| 344 | V | 26.9 | Very low | 30 | Very low | 142 Ų | 142 | 148.3 Ų | 148.3 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -138.5 | 161.7 | 169.4 | -174.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 345 | L | 25.8 | Very low | 29.8 | Very low | 135 Ų | 135 | 147.9 Ų | 147.9 | 71% | 0.707 | 78% | 0.781 | S | S | * | * | trans | -134.5 | 177.8 | -173 | -90.8 | 169.7 | 0 | 0 | 0 | 111 | ||||
| 346 | P | 50.4 | Low | 29.6 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -109.9 | -174.4 | -145.4 | 43.7 | -40.1 | 0 | 0 | 0 | 116.9 | ||||
| 347 | S | 24.1 | Very low | 30.2 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | -144.1 | 135.8 | 158.4 | -111.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 348 | S | 26.8 | Very low | 30 | Very low | 111 Ų | 111 | 135 Ų | 135 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | 71.1 | 133.3 | 82 | -53.2 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 349 | A | 25.9 | Very low | 30.1 | Very low | 98 Ų | 98 | 130 Ų | 130 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | cis | -167 | -166.9 | -8.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 350 | A | 26.5 | Very low | 30 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | 93.1 | 149.8 | 164 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 351 | T | 25.6 | Very low | 30.5 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | trans | -125.9 | -175.9 | 178.7 | 52.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 352 | P | 38.1 | Very low | 30.3 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | cis | -132.6 | -164.9 | -4.2 | 27.1 | -1.5 | 0 | 0 | 0 | 114.3 | ||||
| 353 | Q | 28.8 | Very low | 29.9 | Very low | 187 Ų | 187 | 128.9 Ų | 128.9 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | 108.7 | 147.1 | 153.1 | -59 | -169.7 | -19.7 | 0 | 0 | 119.9 | ||||
| 354 | Q | 26.9 | Very low | 29.8 | Very low | 170 Ų | 170 | 125.5 Ų | 125.5 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -93.7 | 175.7 | -179 | -73.2 | -86.1 | -12.9 | 0 | 0 | 110 | ||||
| 355 | P | 32.7 | Very low | 29.9 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | cis | -132 | -173.1 | 8.5 | 40.3 | -21.5 | 0 | 0 | 0 | 115.9 | ||||
| 356 | S | 22.5 | Very low | 30.3 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | -82.6 | -179.4 | 169 | 59.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 357 | P | 41.1 | Very low | 29.4 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | cis | -142 | 164.7 | 12.7 | 43.3 | -24.1 | 0 | 0 | 0 | 120 | ||||
| 358 | A | 27.1 | Very low | 29.8 | Very low | 99 Ų | 99 | 127 Ų | 127 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 36.5 | 121.9 | 143.8 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 359 | A | 26.2 | Very low | 30.2 | Very low | 96 Ų | 96 | 126.5 Ų | 126.5 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | -176.3 | 126.9 | 110.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 360 | L | 27.1 | Very low | 30.5 | Very low | 167 Ų | 167 | 128.4 Ų | 128.4 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | 25.5 | 169.6 | 138.3 | -60.6 | -179.6 | 0 | 0 | 0 | 123 | ||||
| 361 | P | 39.3 | Very low | 30.7 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | cis | -132.9 | 165.4 | -16.3 | 23.6 | -0.1 | 0 | 0 | 0 | 116.3 | ||||
| 362 | V | 28.1 | Very low | 31.1 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | trans | 32.5 | 126.2 | 139.3 | -174.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 363 | F | 28.3 | Very low | 30.7 | Very low | 215 Ų | 215 | 134.7 Ų | 134.7 | 94% | 0.943 | 74% | 0.739 | S | S | * | * | trans | -131.2 | 163.5 | 131.1 | -125 | -91.3 | 0 | 0 | 0 | 110.3 | ||||
| 364 | S | 27.2 | Very low | 31.5 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | -147.6 | 172.6 | -158.7 | -170.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 365 | A | 29.3 | Very low | 31.5 | Very low | 78 Ų | 78 | 128.5 Ų | 128.5 | 65% | 0.645 | 73% | 0.732 | S | S | * | * | trans | 91.8 | 114 | 152.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 366 | K | 34.3 | Very low | 31.4 | Very low | 184 Ų | 184 | 127.7 Ų | 127.7 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | 75.8 | 157.1 | 125.1 | -69.2 | -164 | 169.6 | -173.1 | 0 | 120.5 | |||||
| 367 | D | 31.6 | Very low | 31.7 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 57% | 0.567 | 73% | 0.731 | S | S | * | * | cis | -170.8 | 147 | -31.6 | -110.9 | -17.2 | 0 | 0 | 0 | 108.8 | ||||
| 368 | L | 33.2 | Very low | 31.3 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | trans | 179.3 | 116.5 | 136.5 | -118.7 | 54.9 | 0 | 0 | 0 | 107.8 | ||||
| 369 | N | 35 | Very low | 31.7 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 54% | 0.535 | 72% | 0.722 | S | S | . | * | 67.2 | 142 | 55 | -59.7 | -37.2 | 0 | 0 | 0 | 112.8 | |||||
| 370 | Q | 32 | Very low | 32.3 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 64% | 0.64 | 72% | 0.716 | S | S | * | * | cis | -164.3 | -175.3 | -7.1 | -115.1 | 170.5 | -25.9 | 0 | 0 | 107.6 | ||||
| 371 | Y | 31 | Very low | 32.4 | Very low | 192 Ų | 192 | 131.6 Ų | 131.6 | 75% | 0.753 | 71% | 0.705 | S | S | * | * | cis | -133.6 | -151.6 | 8.8 | -137.4 | -76.9 | 0 | 0 | 0 | 110.8 | ||||
| 372 | D | 33.2 | Very low | 32 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 57% | 0.572 | 71% | 0.714 | S | S | * | * | trans | -167 | 166.3 | -136.3 | -147 | -10.8 | 0 | 0 | 0 | 114.6 | ||||
| 373 | F | 30.7 | Very low | 32.1 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 77% | 0.768 | 72% | 0.717 | S | S | * | * | trans | 58.7 | 177 | 155 | -83.5 | -51.8 | 0 | 0 | 0 | 120.9 | ||||
| 374 | P | 44.6 | Very low | 32.2 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | cis | -112.3 | 175 | 9.7 | 41.6 | -27.3 | 0 | 0 | 0 | 115.5 | ||||
| 375 | S | 26.2 | Very low | 32.3 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | cis | -161.8 | 155.6 | 45.3 | -179.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 376 | S | 32 | Very low | 32.4 | Very low | 97 Ų | 97 | 136 Ų | 136 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | trans | -14.4 | 158.9 | 158 | -85.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 377 | D | 27.2 | Very low | 32.7 | Very low | 137 Ų | 137 | 131 Ų | 131 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | cis | -141.4 | 147.1 | 3 | -94 | -13.6 | 0 | 0 | 0 | 106.5 | ||||
| 378 | E | 32.6 | Very low | 33.1 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | 64.1 | 148.4 | 53.8 | -55.1 | -64.5 | 80 | 0 | 0 | 113.7 | |||||
| 379 | E | 36.2 | Very low | 33.5 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 62% | 0.617 | 73% | 0.73 | S | S | * | * | cis | -169.9 | -174.7 | -34.3 | -110.9 | -73 | 83.5 | 0 | 0 | 104.6 | L381 | E379-L381 PolarHBondContact OE1-N 3.25Å; E379-L381 PolarHBondContact OE2-N 2.89Å | ||
| 380 | P | 39.7 | Very low | 33.9 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | cis | -129 | 153.1 | 1.3 | 39.9 | -21.6 | 0 | 0 | 0 | 118.9 | ||||
| 381 | L | 28.6 | Very low | 34.5 | Very low | 124 Ų | 124 | 129 Ų | 129 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | trans | 43.6 | 126.5 | 140 | -72.2 | 162.6 | 0 | 0 | 0 | 122.6 | E379 | E379-L381 PolarHBondContact OE1-N 3.25Å; E379-L381 PolarHBondContact OE2-N 2.89Å | ||
| 382 | S | 30.1 | Very low | 35.2 | Very low | 123 Ų | 123 | 126.6 Ų | 126.6 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | -145.5 | 126 | 128.7 | -76.5 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 383 | Q | 31.4 | Very low | 36 | Very low | 171 Ų | 171 | 126.9 Ų | 126.9 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | trans | -67.6 | 156.4 | 170.8 | -63.1 | 162.1 | -78.2 | 0 | 0 | 108.9 | ||||
| 384 | V | 29.7 | Very low | 37.1 | Very low | 139 Ų | 139 | 126.3 Ų | 126.3 | 84% | 0.842 | 74% | 0.739 | S | S | * | * | cis | -146.7 | 152.8 | 42.8 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 385 | L | 29.8 | Very low | 37.2 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | trans | -66.5 | 137.6 | 174.9 | -63.9 | 157.4 | 0 | 0 | 0 | 113.2 | ||||
| 386 | S | 31.1 | Very low | 38.6 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 85% | 0.846 | 72% | 0.716 | S | S | * | * | 163.5 | 120.9 | 114.1 | -72.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 387 | G | 40.6 | Very low | 40 | Very low | 81 Ų | 81 | 126.1 Ų | 126.1 | 84% | 0.835 | 72% | 0.722 | S | S | * | * | trans | -117.4 | 114.3 | 163 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 388 | S | 41.2 | Very low | 41.8 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | trans | -174.7 | 115.7 | 159.9 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 389 | S | 40.6 | Very low | 43.2 | Very low | 88 Ų | 88 | 119.6 Ų | 119.6 | 62% | 0.615 | 70% | 0.699 | S | S | * | * | trans | -160.4 | -15.3 | 167 | 66.5 | 0 | 0 | 0 | 0 | 115.6 | A391 E392 | S389-A391 PolarHBondContact O-N 3.42Å; S389-E392 PolarHBondContact O-N 3.2Å | ||
| 390 | E | 42.8 | Very low | 44 | Very low | 170 Ų | 170 | 117.7 Ų | 117.7 | 79% | 0.794 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -61.8 | -28.5 | 176.7 | -71 | 176.8 | 112.8 | 0 | 0 | 112.3 | E392 E393 | E390-E392 VanDerWaalsContact C-N 3.26Å; E390-E392 PolarHBondContact O-N 3.16Å; E390-E393 PolarHBondContact O-N 3.12Å |
| 391 | A | 45.4 | Very low | 44.6 | Very low | 85 Ų | 85 | 122.5 Ų | 122.5 | 70% | 0.702 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -71.7 | -11.7 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | S389 | S389-A391 PolarHBondContact O-N 3.42Š|
| 392 | E | 46.1 | Very low | 46 | Very low | 143 Ų | 143 | 118.3 Ų | 118.3 | 67% | 0.668 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -108.6 | 13.2 | 176.1 | -66.2 | -165.8 | 159.5 | 0 | 0 | 113 | S389 E390 R404 | S389-E392 PolarHBondContact O-N 3.2Å; E390-E392 VanDerWaalsContact C-N 3.26Å; E390-E392 PolarHBondContact O-N 3.16Å; E392-R404 PolarHBondContact O-NH2 3.32Å |
| 393 | E | 49.5 | Very low | 47.5 | Very low | 113 Ų | 113 | 120 Ų | 120 | 53% | 0.528 | 68% | 0.684 | S | S | . | * | S | Bend | trans | -93.8 | -19.2 | 179.9 | -161.4 | 163 | -145.7 | 0 | 0 | 112.9 | E390 | E390-E393 PolarHBondContact O-N 3.12Š|
| 394 | E | 52.8 | Low | 49.4 | Very low | 162 Ų | 162 | 117.9 Ų | 117.9 | 76% | 0.757 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -92.8 | -7.7 | -177.4 | -164.8 | 169.3 | -146.8 | 0 | 0 | 114.3 | ||
| 395 | N | 47.4 | Very low | 51.4 | Low | 145 Ų | 145 | 119.2 Ų | 119.2 | 78% | 0.775 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -120 | 16 | -174.4 | -85.1 | -103.7 | 0 | 0 | 0 | 114.6 | ||
| 396 | D | 56.5 | Low | 53.5 | Low | 51 Ų | 51 | 119 Ų | 119 | 27% | 0.273 | 65% | 0.651 | S | S | . | * | trans | -96.7 | 118.4 | 178.5 | -167 | -14.8 | 0 | 0 | 0 | 110.8 | D398 G399 R404 | D396-D398 PolarHBondContact O-N 3.46Å; D396-G399 PolarHBondContact O-N 3.08Å; D396-G399 VanDerWaalsContact O-N 3.08Å; D396-R404 IonicContact OD2-CZ 2.96Å; D396-R404 IonicContact OD2-NE 2.63Å; D396-R404 PolarHBondContact OD2-NE 3.03Å; D396-R404 VanDerWaalsContact OD2-NE 3.14Å; D396-R404 IonicContact OD2-NH2 2.6Å; D396-R404 PolarHBondContact OD2-NH2 3.04Å | ||
| 397 | P | 60.2 | Low | 54.7 | Low | 126 Ų | 126 | 118.3 Ų | 118.3 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -19.4 | -173.4 | 25.5 | -35.5 | 0 | 0 | 0 | 115.1 | G399 | P397-G399 VanDerWaalsContact C-N 3.32Š|
| 398 | D | 65.8 | Low | 56.1 | Low | 137 Ų | 137 | 118.7 Ų | 118.7 | 73% | 0.733 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -6.9 | 176.7 | -73.8 | -16.2 | 0 | 0 | 0 | 113.3 | D396 A402 | D396-D398 PolarHBondContact O-N 3.46Å; D398-A402 HydrophobicContact CB-CB 3.79Å |
| 399 | G | 61.2 | Low | 56.9 | Low | 25 Ų | 25 | 116.4 Ų | 116.4 | 26% | 0.258 | 64% | 0.639 | S | S | . | * | trans | 79.5 | 173.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | D396 P397 F401 A402 | D396-G399 PolarHBondContact O-N 3.08Å; D396-G399 VanDerWaalsContact O-N 3.08Å; P397-G399 VanDerWaalsContact C-N 3.32Å; G399-F401 PolarHBondContact O-N 2.84Å; G399-A402 WeakPolarHBondContact O-CB 3.42Å; G399-A402 PolarHBondContact O-N 3.31Å | ||
| 400 | P | 52.8 | Low | 57.9 | Low | 91 Ų | 91 | 120.1 Ų | 120.1 | 59% | 0.591 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 13.1 | -164 | 30.8 | -38.4 | 0 | 0 | 0 | 115.7 | ||
| 401 | F | 52.5 | Low | 59 | Low | 205 Ų | 205 | 115.5 Ų | 115.5 | 90% | 0.899 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.2 | 9.1 | 173.2 | -59.1 | -66.5 | 0 | 0 | 0 | 112.8 | G399 | G399-F401 PolarHBondContact O-N 2.84Š|
| 402 | A | 59.5 | Low | 59.7 | Low | 37 Ų | 37 | 120.8 Ų | 120.8 | 31% | 0.306 | 63% | 0.626 | S | S | . | * | trans | -62.6 | 139.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D398 G399 R404 | D398-A402 HydrophobicContact CB-CB 3.79Å; G399-A402 WeakPolarHBondContact O-CB 3.42Å; G399-A402 PolarHBondContact O-N 3.31Å; A402-R404 PolarHBondContact O-N 3.37Å | ||
| 403 | F | 61 | Low | 60 | Low | 158 Ų | 158 | 117.7 Ų | 117.7 | 69% | 0.693 | 63% | 0.625 | S | S | * | * | trans | -78.4 | 90.4 | -177.8 | 179.4 | -99.4 | 0 | 0 | 0 | 111.5 | R405 Y411 | F403-R405 HydrophobicContact CE1-CG 4.34Å; F403-Y411 HydrophobicContact CE1-CD1 4.22Å; F403-Y411 HydrophobicContact CE1-CE1 4.19Å; F403-Y411 AromaticContact CZ-CD1 3.98Å; F403-Y411 HydrophobicContact CZ-CD1 3.98Å; F403-Y411 AromaticContact CZ-CE1 3.64Å; F403-Y411 HydrophobicContact CZ-CE1 3.64Å | ||
| 404 | R | 70.6 | Confident | 59.8 | Low | 127 Ų | 127 | 117.6 Ų | 117.6 | 48% | 0.479 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -77.6 | 129.3 | 173.4 | -70.1 | -176.3 | 169.1 | -170.3 | 0.5 | 111.6 | E392 D396 A402 | E392-R404 PolarHBondContact O-NH2 3.32Å; D396-R404 IonicContact OD2-CZ 2.96Å; D396-R404 IonicContact OD2-NE 2.63Å; D396-R404 PolarHBondContact OD2-NE 3.03Å; D396-R404 VanDerWaalsContact OD2-NE 3.14Å; D396-R404 IonicContact OD2-NH2 2.6Å; D396-R404 PolarHBondContact OD2-NH2 3.04Å; A402-R404 PolarHBondContact O-N 3.37Å |
| 405 | R | 72.8 | Confident | 59.5 | Low | 166 Ų | 166 | 117 Ų | 117 | 63% | 0.626 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 127 | 174.7 | -69.5 | -176.6 | 177.9 | -141.4 | -7.1 | 110.1 | F403 Y411 | F403-R405 HydrophobicContact CE1-CG 4.34Å; R405-Y411 HydrophobicContact CB-CD2 3.75Å; R405-Y411 HydrophobicContact CB-CE2 3.51Å; R405-Y411 HydrophobicContact CG-CD2 3.63Å; R405-Y411 HydrophobicContact CG-CE2 3.85Å; R405-Y411 HydrophobicContact CG-CG 4.13Å; R405-Y411 PolarHBondContact NH1-O 3.2Å |
| 406 | K | 73.3 | Confident | 59.6 | Low | 155 Ų | 155 | 116.9 Ų | 116.9 | 67% | 0.674 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 135.9 | 171.8 | -81.1 | -166.3 | 169.4 | -168.5 | 0 | 111.3 | C409 Y411 | K406-C409 HydrophobicContact CB-CB 4.25Å; K406-C409 PolarHBondContact O-N 2.91Å; K406-Y411 PolarHBondContact N-OH 2.85Å |
| 407 | A | 55.7 | Low | 59.2 | Low | 106 Ų | 106 | 121.9 Ų | 121.9 | 88% | 0.876 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | 139.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | C409 | A407-C409 VanDerWaalsContact C-N 3.25Å; A407-C409 PolarHBondContact O-N 2.86Å |
| 408 | G | 69.4 | Low | 58.5 | Low | 88 Ų | 88 | 121.7 Ų | 121.7 | 91% | 0.907 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.1 | -12.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 409 | C | 58.3 | Low | 57.6 | Low | 66 Ų | 66 | 121.1 Ų | 121.1 | 45% | 0.446 | 65% | 0.646 | S | S | . | * | trans | -92.2 | 123.7 | 175.2 | -65.6 | 0 | 0 | 0 | 0 | 111.4 | K406 A407 Y411 | K406-C409 HydrophobicContact CB-CB 4.25Å; K406-C409 PolarHBondContact O-N 2.91Å; A407-C409 VanDerWaalsContact C-N 3.25Å; A407-C409 PolarHBondContact O-N 2.86Å; C409-Y411 HydrophobicContact CB-CD2 4.18Å; C409-Y411 HydrophobicContact CB-CE2 3.45Å; C409-Y411 VanDerWaalsContact CB-CE2 3.45Å; C409-Y411 WeakPolarHBondContact O-CD2 3.41Å; C409-Y411 WeakPolarHBondContact O-CE2 3.34Å | ||
| 410 | Q | 62.2 | Low | 57 | Low | 166 Ų | 166 | 122 Ų | 122 | 78% | 0.776 | 65% | 0.654 | S | S | * | * | trans | -81.1 | 118.1 | 170.1 | -75.8 | 178.2 | -27.1 | 0 | 0 | 110.2 | ||||
| 411 | Y | 66.1 | Low | 56.7 | Low | 73 Ų | 73 | 121.9 Ų | 121.9 | 29% | 0.286 | 65% | 0.649 | S | S | . | * | trans | -106.8 | 105.3 | 177.4 | -63.2 | -88.6 | 0 | 0 | 0 | 109.8 | F403 R405 K406 C409 | F403-Y411 HydrophobicContact CE1-CD1 4.22Å; F403-Y411 HydrophobicContact CE1-CE1 4.19Å; F403-Y411 AromaticContact CZ-CD1 3.98Å; F403-Y411 HydrophobicContact CZ-CD1 3.98Å; F403-Y411 AromaticContact CZ-CE1 3.64Å; F403-Y411 HydrophobicContact CZ-CE1 3.64Å; R405-Y411 HydrophobicContact CB-CD2 3.75Å; R405-Y411 HydrophobicContact CB-CE2 3.51Å; R405-Y411 HydrophobicContact CG-CD2 3.63Å; R405-Y411 HydrophobicContact CG-CE2 3.85Å; R405-Y411 HydrophobicContact CG-CG 4.13Å; R405-Y411 PolarHBondContact NH1-O 3.2Å; K406-Y411 PolarHBondContact N-OH 2.85Å; C409-Y411 HydrophobicContact CB-CD2 4.18Å; C409-Y411 HydrophobicContact CB-CE2 3.45Å; C409-Y411 VanDerWaalsContact CB-CE2 3.45Å; C409-Y411 WeakPolarHBondContact O-CD2 3.41Å; C409-Y411 WeakPolarHBondContact O-CE2 3.34Å | ||
| 412 | Y | 59.6 | Low | 56.9 | Low | 197 Ų | 197 | 118.9 Ų | 118.9 | 77% | 0.773 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 150.7 | 174.6 | -60.3 | -80.9 | 0 | 0 | 0 | 111.6 | ||
| 413 | A | 52.3 | Low | 56.5 | Low | 78 Ų | 78 | 121.3 Ų | 121.3 | 65% | 0.645 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -70 | 152 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | H415 | A413-H415 PolarHBondContact O-N 3.24Š|
| 414 | P | 45.2 | Very low | 56.3 | Low | 111 Ų | 111 | 117 Ų | 117 | 72% | 0.721 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 127.7 | 168.9 | -18.5 | 31.8 | 0 | 0 | 0 | 110.2 | L416 | P414-L416 HydrophobicContact CB-CD1 4.3Å; P414-L416 WeakPolarHBondContact O-CD1 3.3Å; P414-L416 PolarHBondContact O-N 3.28Å |
| 415 | H | 47.6 | Very low | 55.6 | Low | 150 Ų | 150 | 111.9 Ų | 111.9 | 69% | 0.694 | 61% | 0.607 | S | S | * | * | trans | -71.2 | 98.8 | 168.9 | -89.9 | -82.4 | 0 | 0 | 0 | 109.4 | A413 D417 Q418 | A413-H415 PolarHBondContact O-N 3.24Å; H415-D417 VanDerWaalsContact C-N 3.26Å; H415-D417 PolarHBondContact O-N 3.26Å; H415-Q418 HydrophobicContact CB-CB 4.34Å | ||
| 416 | L | 48.3 | Very low | 54.8 | Low | 142 Ų | 142 | 104.7 Ų | 104.7 | 74% | 0.743 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -36 | 173.4 | -91.2 | 64.7 | 0 | 0 | 0 | 111.4 | P414 Q418 | P414-L416 HydrophobicContact CB-CD1 4.3Å; P414-L416 WeakPolarHBondContact O-CD1 3.3Å; P414-L416 PolarHBondContact O-N 3.28Å; L416-Q418 PolarHBondContact O-N 2.81Å; L416-Q418 VanDerWaalsContact O-N 3.13Å |
| 417 | D | 48.8 | Very low | 54.1 | Low | 155 Ų | 155 | 102 Ų | 102 | 83% | 0.829 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 2.9 | -172 | -44.9 | -52.9 | 0 | 0 | 0 | 114.6 | H415 | H415-D417 VanDerWaalsContact C-N 3.26Å; H415-D417 PolarHBondContact O-N 3.26Å |
| 418 | Q | 46.1 | Very low | 54.2 | Low | 123 Ų | 123 | 106.2 Ų | 106.2 | 58% | 0.575 | 58% | 0.579 | S | S | * | * | trans | -130 | 70.7 | -173.6 | -162.1 | 167.9 | 98.1 | 0 | 0 | 113.1 | H415 L416 G420 | H415-Q418 HydrophobicContact CB-CB 4.34Å; L416-Q418 PolarHBondContact O-N 2.81Å; L416-Q418 VanDerWaalsContact O-N 3.13Å; Q418-G420 PolarHBondContact O-N 3.19Å | ||
| 419 | T | 46.4 | Very low | 53.6 | Low | 125 Ų | 125 | 105.7 Ų | 105.7 | 77% | 0.767 | 56% | 0.555 | S | S | * | * | trans | -67.8 | 74.1 | 171 | 52.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 420 | G | 49 | Very low | 53.5 | Low | 42 Ų | 42 | 105.3 Ų | 105.3 | 43% | 0.433 | 56% | 0.562 | S | S | . | * | S | Bend | trans | 150.7 | 61 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q418 | Q418-G420 PolarHBondContact O-N 3.19Š|
| 421 | N | 46.5 | Very low | 53.6 | Low | 90 Ų | 90 | 97.8 Ų | 97.8 | 48% | 0.481 | 53% | 0.529 | S | S | . | . | trans | -152.4 | 53 | 154.9 | -116.8 | -42.7 | 0 | 0 | 0 | 112 | ||||
| 422 | W | 55.4 | Low | 53.2 | Low | 141 Ų | 141 | 102.1 Ų | 102.1 | 53% | 0.534 | 56% | 0.557 | S | S | . | * | trans | -72.1 | 149.1 | -175.9 | -60.9 | 103.9 | 0 | 0 | 0 | 111.9 | W424 T425 | W422-W424 HydrophobicContact CB-CD2 3.77Å; W422-W424 HydrophobicContact CB-CE3 4.34Å; W422-W424 HydrophobicContact CB-CG 4.19Å; W422-W424 HydrophobicContact CB-CH2 4.2Å; W422-W424 HydrophobicContact CB-CZ2 3.59Å; W422-W424 AromaticContact CD2-CH2 3.84Å; W422-W424 HydrophobicContact CD2-CH2 3.84Å; W422-W424 AromaticContact CD2-CZ2 3.44Å; W422-W424 HydrophobicContact CD2-CZ2 3.44Å; W422-W424 VanDerWaalsContact CD2-CZ2 3.44Å; W422-W424 AromaticContact CE3-CH2 3.39Å; W422-W424 HydrophobicContact CE3-CH2 3.39Å; W422-W424 AromaticContact CE3-CZ2 3.54Å; W422-W424 HydrophobicContact CE3-CZ2 3.54Å; W422-W424 HydrophobicContact CE3-CZ3 4.25Å; W422-W424 AromaticContact CG-CE2 3.66Å; W422-W424 HydrophobicContact CG-CH2 4.21Å; W422-W424 AromaticContact CG-CZ2 3.48Å; W422-W424 HydrophobicContact CG-CZ2 3.48Å; W422-W424 VanDerWaalsContact CG-CZ2 3.48Å; W422-W424 AromaticContact CG-NE1 3.75Å; W422-W424 HydrophobicContact CZ3-CH2 4.04Å; W422-W424 HydrophobicContact CZ3-CZ2 4.37Å; W422-W424 PolarHBondContact O-N 2.85Å; W422-T425 PolarHBondContact N-OG1 3.27Å; W422-T425 WeakPolarHBondContact O-CB 3.23Å; W422-T425 PolarHBondContact O-N 3.13Å; W422-T425 PolarHBondContact O-OG1 3.21Å | ||
| 423 | P | 51.3 | Low | 53.3 | Low | 89 Ų | 89 | 93.1 Ų | 93.1 | 58% | 0.578 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -20.3 | 179.3 | -27.5 | 35.7 | 0 | 0 | 0 | 115.2 | L432 G433 | P423-L432 CarbonylContact O-C 3.59Å; P423-L432 PolarHBondContact O-N 3.28Å; P423-G433 PolarHBondContact O-N 2.85Å; P423-G433 VanDerWaalsContact O-N 3.13Å |
| 424 | W | 56.7 | Low | 53.7 | Low | 66 Ų | 66 | 92.4 Ų | 92.4 | 25% | 0.25 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 9.4 | 177.4 | 54.8 | 75.4 | 0 | 0 | 0 | 114.4 | W422 Y439 | W422-W424 HydrophobicContact CB-CD2 3.77Å; W422-W424 HydrophobicContact CB-CE3 4.34Å; W422-W424 HydrophobicContact CB-CG 4.19Å; W422-W424 HydrophobicContact CB-CH2 4.2Å; W422-W424 HydrophobicContact CB-CZ2 3.59Å; W422-W424 AromaticContact CD2-CH2 3.84Å; W422-W424 HydrophobicContact CD2-CH2 3.84Å; W422-W424 AromaticContact CD2-CZ2 3.44Å; W422-W424 HydrophobicContact CD2-CZ2 3.44Å; W422-W424 VanDerWaalsContact CD2-CZ2 3.44Å; W422-W424 AromaticContact CE3-CH2 3.39Å; W422-W424 HydrophobicContact CE3-CH2 3.39Å; W422-W424 AromaticContact CE3-CZ2 3.54Å; W422-W424 HydrophobicContact CE3-CZ2 3.54Å; W422-W424 HydrophobicContact CE3-CZ3 4.25Å; W422-W424 AromaticContact CG-CE2 3.66Å; W422-W424 HydrophobicContact CG-CH2 4.21Å; W422-W424 AromaticContact CG-CZ2 3.48Å; W422-W424 HydrophobicContact CG-CZ2 3.48Å; W422-W424 VanDerWaalsContact CG-CZ2 3.48Å; W422-W424 AromaticContact CG-NE1 3.75Å; W422-W424 HydrophobicContact CZ3-CH2 4.04Å; W422-W424 HydrophobicContact CZ3-CZ2 4.37Å; W422-W424 PolarHBondContact O-N 2.85Å; W424-Y439 AromaticContact CD1-CD2 3.64Å; W424-Y439 AromaticContact CD1-CE2 3.96Å; W424-Y439 HydrophobicContact CD2-CD2 4.32Å; W424-Y439 AromaticContact CD2-CE2 3.85Å; W424-Y439 HydrophobicContact CD2-CE2 3.85Å; W424-Y439 AromaticContact CE2-CD2 3.72Å; W424-Y439 AromaticContact CE2-CE2 3.42Å; W424-Y439 VanDerWaalsContact CE2-CE2 3.42Å; W424-Y439 HydrophobicContact CG-CD2 4.23Å; W424-Y439 HydrophobicContact CG-CE2 4.14Å; W424-Y439 HydrophobicContact CH2-CE2 4.5Å; W424-Y439 HydrophobicContact CZ2-CD2 4.3Å; W424-Y439 AromaticContact CZ2-CE2 3.78Å; W424-Y439 HydrophobicContact CZ2-CE2 3.78Å; W424-Y439 AromaticContact NE1-CD2 3.28Å; W424-Y439 VanDerWaalsContact NE1-CD2 3.28Å; W424-Y439 AromaticContact NE1-CE2 3.53Å |
| 425 | T | 57.1 | Low | 54.4 | Low | 21 Ų | 21 | 91.5 Ų | 91.5 | 13% | 0.129 | 50% | 0.501 | C | S | . | . | S | Bend | trans | -81 | 154.3 | 172.7 | -29.3 | 0 | 0 | 0 | 0 | 109.8 | W422 D429 G431 L432 G433 | W422-T425 PolarHBondContact N-OG1 3.27Å; W422-T425 WeakPolarHBondContact O-CB 3.23Å; W422-T425 PolarHBondContact O-N 3.13Å; W422-T425 PolarHBondContact O-OG1 3.21Å; T425-D429 HydrophobicContact CG2-CB 3.62Å; T425-G431 CarbonylContact O-C 3.58Å; T425-G431 VanDerWaalsContact O-C 3.22Å; T425-G431 VanDerWaalsContact O-CA 3.25Å; T425-G431 WeakPolarHBondContact O-CA 3.39Å; T425-L432 PolarHBondContact O-N 2.95Å; T425-G433 WeakPolarHBondContact O-CA 3.01Å; T425-G433 PolarHBondContact O-N 2.73Å |
| 426 | S | 56 | Low | 55 | Low | 15 Ų | 15 | 93.6 Ų | 93.6 | 11% | 0.105 | 50% | 0.503 | C | S | . | . | trans | -61.9 | 149.2 | -176.7 | -177.7 | 0 | 0 | 0 | 0 | 112.3 | K428 D429 G430 G431 | S426-K428 PolarHBondContact O-N 3.5Å; S426-K428 VanDerWaalsContact O-N 3.09Å; S426-K428 PolarHBondContact OG-N 3.27Å; S426-D429 CarbonylContact O-C 3.53Å; S426-D429 WeakPolarHBondContact O-CA 3.09Å; S426-D429 PolarHBondContact O-N 3.43Å; S426-G430 PolarHBondContact O-N 3.41Å; S426-G431 PolarHBondContact O-N 3.29Å | ||
| 427 | P | 59.1 | Low | 55.6 | Low | 98 Ų | 98 | 92.4 Ų | 92.4 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -22.1 | 166.6 | -28 | 36.3 | 0 | 0 | 0 | 114.6 | D429 G431 G433 | P427-D429 VanDerWaalsContact C-N 3.32Å; P427-G431 VanDerWaalsContact CA-O 3.24Å; P427-G431 WeakPolarHBondContact CA-O 3.14Å; P427-G433 WeakPolarHBondContact CD-O 3.24Å |
| 428 | K | 57.6 | Low | 56.6 | Low | 194 Ų | 194 | 91 Ų | 91 | 84% | 0.843 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -18.7 | 173.1 | -59.8 | -170.9 | 178.4 | -172.6 | 0 | 113.7 | S426 | S426-K428 PolarHBondContact O-N 3.5Å; S426-K428 VanDerWaalsContact O-N 3.09Å; S426-K428 PolarHBondContact OG-N 3.27Å |
| 429 | D | 55.8 | Low | 57.7 | Low | 77 Ų | 77 | 87 Ų | 87 | 41% | 0.412 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 7.2 | -177.6 | -56 | -15.9 | 0 | 0 | 0 | 111.6 | T425 S426 P427 R438 | T425-D429 HydrophobicContact CG2-CB 3.62Å; S426-D429 CarbonylContact O-C 3.53Å; S426-D429 WeakPolarHBondContact O-CA 3.09Å; S426-D429 PolarHBondContact O-N 3.43Å; P427-D429 VanDerWaalsContact C-N 3.32Å; D429-R438 IonicContact OD2-CZ 3.92Å; D429-R438 IonicContact OD2-NH1 2.68Å; D429-R438 PolarHBondContact OD2-NH1 2.89Å; D429-R438 IonicContact OD2-NH2 3.94Å |
| 430 | G | 55.9 | Low | 58.9 | Low | 58 Ų | 58 | 83.8 Ų | 83.8 | 60% | 0.598 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.2 | -4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | S426 | S426-G430 PolarHBondContact O-N 3.41Š|
| 431 | G | 64.9 | Low | 60.1 | Low | 8 Ų | 8 | 84.2 Ų | 84.2 | 8% | 0.082 | 43% | 0.427 | C | S | . | . | trans | -95.4 | -178.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | T425 S426 P427 | T425-G431 CarbonylContact O-C 3.58Å; T425-G431 VanDerWaalsContact O-C 3.22Å; T425-G431 VanDerWaalsContact O-CA 3.25Å; T425-G431 WeakPolarHBondContact O-CA 3.39Å; S426-G431 PolarHBondContact O-N 3.29Å; P427-G431 VanDerWaalsContact CA-O 3.24Å; P427-G431 WeakPolarHBondContact CA-O 3.14Å | ||
| 432 | L | 58.2 | Low | 61.5 | Low | 164 Ų | 164 | 81 Ų | 81 | 86% | 0.859 | 41% | 0.41 | S | S | * | . | trans | -110.2 | 13.1 | -179.9 | -63.3 | 175.1 | 0 | 0 | 0 | 113.1 | P423 T425 | P423-L432 CarbonylContact O-C 3.59Å; P423-L432 PolarHBondContact O-N 3.28Å; T425-L432 PolarHBondContact O-N 2.95Å | ||
| 433 | G | 60.8 | Low | 62.5 | Low | 9 Ų | 9 | 78.3 Ų | 78.3 | 9% | 0.093 | 41% | 0.41 | C | S | . | . | trans | -100 | 133.5 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P423 T425 P427 V435 | P423-G433 PolarHBondContact O-N 2.85Å; P423-G433 VanDerWaalsContact O-N 3.13Å; T425-G433 WeakPolarHBondContact O-CA 3.01Å; T425-G433 PolarHBondContact O-N 2.73Å; P427-G433 WeakPolarHBondContact CD-O 3.24Å; G433-V435 PolarHBondContact O-N 3.47Å | ||
| 434 | D | 61.1 | Low | 63.5 | Low | 62 Ų | 62 | 76.4 Ų | 76.4 | 33% | 0.332 | 39% | 0.394 | S | S | . | . | trans | -60.6 | 127.7 | 161.7 | 169.4 | -2.8 | 0 | 0 | 0 | 110 | R436 Y437 | D434-R436 PolarHBondContact O-N 2.81Å; D434-R436 WeakPolarHBondContact OD1-CB 3.41Å; D434-R436 WeakPolarHBondContact OD1-CG 3.39Å; D434-R436 PolarHBondContact OD1-N 3.34Å; D434-R436 IonicContact OD1-NE 3.33Å; D434-R436 PolarHBondContact OD1-NE 3.46Å; D434-R436 IonicContact OD2-CZ 2.81Å; D434-R436 IonicContact OD2-NE 3.85Å; D434-R436 PolarHBondContact OD2-NE 2.97Å; D434-R436 IonicContact OD2-NH2 3.55Å; D434-R436 PolarHBondContact OD2-NH2 2.88Å; D434-Y437 HydrophobicContact CB-CD2 3.85Å; D434-Y437 HydrophobicContact CB-CE2 3.96Å; D434-Y437 PolarHBondContact O-N 3.13Å | ||
| 435 | V | 59.3 | Low | 64.2 | Low | 92 Ų | 92 | 77.1 Ų | 77.1 | 56% | 0.558 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -50.6 | -28.3 | -177.6 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | G433 Y437 R438 | G433-V435 PolarHBondContact O-N 3.47Å; V435-Y437 PolarHBondContact O-N 2.97Å; V435-Y437 VanDerWaalsContact O-N 3.13Å; V435-R438 WeakPolarHBondContact O-CB 3.15Å; V435-R438 PolarHBondContact O-N 2.96Å |
| 436 | R | 59.9 | Low | 64.5 | Low | 194 Ų | 194 | 82.4 Ų | 82.4 | 73% | 0.732 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -62.1 | -15 | 176.6 | -65.1 | -178.7 | -67.8 | -173.7 | 0.3 | 114.4 | D434 | D434-R436 PolarHBondContact O-N 2.81Å; D434-R436 WeakPolarHBondContact OD1-CB 3.41Å; D434-R436 WeakPolarHBondContact OD1-CG 3.39Å; D434-R436 PolarHBondContact OD1-N 3.34Å; D434-R436 IonicContact OD1-NE 3.33Å; D434-R436 PolarHBondContact OD1-NE 3.46Å; D434-R436 IonicContact OD2-CZ 2.81Å; D434-R436 IonicContact OD2-NE 3.85Å; D434-R436 PolarHBondContact OD2-NE 2.97Å; D434-R436 IonicContact OD2-NH2 3.55Å; D434-R436 PolarHBondContact OD2-NH2 2.88Å |
| 437 | Y | 62.1 | Low | 64.8 | Low | 117 Ų | 117 | 85.7 Ų | 85.7 | 46% | 0.459 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -111 | 7.9 | 178.9 | -51.8 | -71.6 | 0 | 0 | 0 | 114.2 | D434 V435 R455 | D434-Y437 HydrophobicContact CB-CD2 3.85Å; D434-Y437 HydrophobicContact CB-CE2 3.96Å; D434-Y437 PolarHBondContact O-N 3.13Å; V435-Y437 PolarHBondContact O-N 2.97Å; V435-Y437 VanDerWaalsContact O-N 3.13Å; Y437-R455 VanDerWaalsContact O-CD 3.29Å; Y437-R455 WeakPolarHBondContact O-CD 3.39Å |
| 438 | R | 69.6 | Low | 65.2 | Low | 127 Ų | 127 | 86.9 Ų | 86.9 | 48% | 0.479 | 46% | 0.456 | S | S | . | . | trans | -61.3 | 140.3 | 174.2 | -172.8 | 177.7 | -176.4 | 125.1 | 2.7 | 110.5 | D429 V435 | D429-R438 IonicContact OD2-CZ 3.92Å; D429-R438 IonicContact OD2-NH1 2.68Å; D429-R438 PolarHBondContact OD2-NH1 2.89Å; D429-R438 IonicContact OD2-NH2 3.94Å; V435-R438 WeakPolarHBondContact O-CB 3.15Å; V435-R438 PolarHBondContact O-N 2.96Å | ||
| 439 | Y | 69.2 | Low | 65.9 | Low | 39 Ų | 39 | 82.4 Ų | 82.4 | 15% | 0.153 | 43% | 0.434 | C | S | . | . | trans | -76.5 | 136.3 | 169.3 | -71.2 | -106.2 | 0 | 0 | 0 | 110.2 | W424 A454 R455 D467 A469 | W424-Y439 AromaticContact CD1-CD2 3.64Å; W424-Y439 AromaticContact CD1-CE2 3.96Å; W424-Y439 HydrophobicContact CD2-CD2 4.32Å; W424-Y439 AromaticContact CD2-CE2 3.85Å; W424-Y439 HydrophobicContact CD2-CE2 3.85Å; W424-Y439 AromaticContact CE2-CD2 3.72Å; W424-Y439 AromaticContact CE2-CE2 3.42Å; W424-Y439 VanDerWaalsContact CE2-CE2 3.42Å; W424-Y439 HydrophobicContact CG-CD2 4.23Å; W424-Y439 HydrophobicContact CG-CE2 4.14Å; W424-Y439 HydrophobicContact CH2-CE2 4.5Å; W424-Y439 HydrophobicContact CZ2-CD2 4.3Å; W424-Y439 AromaticContact CZ2-CE2 3.78Å; W424-Y439 HydrophobicContact CZ2-CE2 3.78Å; W424-Y439 AromaticContact NE1-CD2 3.28Å; W424-Y439 VanDerWaalsContact NE1-CD2 3.28Å; W424-Y439 AromaticContact NE1-CE2 3.53Å; Y439-A454 WeakPolarHBondContact CA-O 3.29Å; Y439-R455 HydrophobicContact CD1-CB 4.08Å; Y439-R455 HydrophobicContact CD1-CG 4.07Å; Y439-R455 HydrophobicContact CD2-CB 4.17Å; Y439-R455 HydrophobicContact CD2-CG 4.17Å; Y439-R455 HydrophobicContact CE1-CB 4.3Å; Y439-R455 HydrophobicContact CE1-CG 3.76Å; Y439-R455 HydrophobicContact CE2-CB 4.44Å; Y439-R455 HydrophobicContact CE2-CG 3.93Å; Y439-R455 HydrophobicContact CG-CB 4.01Å; Y439-R455 HydrophobicContact CG-CG 4.26Å; Y439-D467 HydrophobicContact CE1-CB 4.3Å; Y439-D467 VanDerWaalsContact CE1-O 3.26Å; Y439-D467 WeakPolarHBondContact CE1-O 3.48Å; Y439-A469 HydrophobicContact CD1-CB 3.59Å; Y439-A469 HydrophobicContact CE1-CB 3.59Å; Y439-A469 HydrophobicContact CG-CB 4.27Å | ||
| 440 | C | 71.3 | Confident | 67 | Low | 56 Ų | 56 | 79.3 Ų | 79.3 | 38% | 0.378 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 153.9 | 177 | 54.7 | 0 | 0 | 0 | 0 | 110.8 | T442 A454 | C440-T442 PolarHBondContact O-N 2.87Å; C440-T442 VanDerWaalsContact O-N 3.12Å; C440-T442 PolarHBondContact O-OG1 3.03Å; C440-A454 PolarHBondContact N-O 3.05Å; C440-A454 PolarHBondContact O-N 2.78Å; C440-A454 VanDerWaalsContact O-O 3.06Å |
| 441 | L | 75.1 | Confident | 67.9 | Low | 51 Ų | 51 | 77.5 Ų | 77.5 | 27% | 0.267 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 116.8 | 175.4 | -174.6 | 62.7 | 0 | 0 | 0 | 108.7 | F453 F477 I520 | L441-F453 HydrophobicContact CB-CE1 4.25Å; L441-F477 HydrophobicContact CD1-CD1 3.85Å; L441-F477 HydrophobicContact CD1-CD2 4.19Å; L441-F477 HydrophobicContact CD1-CE1 3.75Å; L441-F477 HydrophobicContact CD1-CE2 4.1Å; L441-F477 HydrophobicContact CD1-CG 4.09Å; L441-F477 HydrophobicContact CD1-CZ 3.89Å; L441-F477 HydrophobicContact CD2-CE1 4.05Å; L441-I520 HydrophobicContact CD2-CD1 3.65Å |
| 442 | T | 75.6 | Confident | 68.5 | Low | 23 Ų | 23 | 77.1 Ų | 77.1 | 14% | 0.141 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 126.7 | -165.9 | -65.6 | 0 | 0 | 0 | 0 | 110.9 | C440 L451 G452 A454 | C440-T442 PolarHBondContact O-N 2.87Å; C440-T442 VanDerWaalsContact O-N 3.12Å; C440-T442 PolarHBondContact O-OG1 3.03Å; T442-L451 HydrophobicContact CG2-CD1 4.36Å; T442-L451 PolarHBondContact O-N 2.92Å; T442-G452 PolarHBondContact N-O 2.85Å; T442-A454 HydrophobicContact CG2-CB 4.38Å |
| 443 | T | 75.6 | Confident | 69.5 | Low | 85 Ų | 85 | 72.9 Ų | 72.9 | 52% | 0.521 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 144.7 | 169.3 | 50.4 | 0 | 0 | 0 | 0 | 111.1 | R449 C450 | T443-R449 CarbonylContact C-O 3.53Å; T443-R449 VanDerWaalsContact CA-O 3.24Å; T443-R449 WeakPolarHBondContact CA-O 3.41Å; T443-C450 HydrophobicContact CG2-CB 4.29Å |
| 444 | L | 72.5 | Confident | 70.3 | Confident | 49 Ų | 49 | 72.5 Ų | 72.5 | 26% | 0.257 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 155.5 | 165.1 | -63.8 | -176.7 | 0 | 0 | 0 | 110 | P447 Q448 R449 L451 L466 | L444-P447 WeakPolarHBondContact CB-O 3.26Å; L444-Q448 WeakPolarHBondContact O-CA 3.46Å; L444-R449 HydrophobicContact CB-CG 4.23Å; L444-R449 HydrophobicContact CD1-CG 4.25Å; L444-R449 HydrophobicContact CG-CG 4.47Å; L444-R449 PolarHBondContact N-O 2.86Å; L444-R449 PolarHBondContact O-N 2.82Å; L444-L451 HydrophobicContact CD1-CD1 4.05Å; L444-L451 HydrophobicContact CD1-CD2 4.08Å; L444-L451 HydrophobicContact CD1-CG 4.29Å; L444-L451 HydrophobicContact CD2-CD1 3.89Å; L444-L451 HydrophobicContact CG-CD1 3.74Å; L444-L451 HydrophobicContact CG-CD2 4.31Å; L444-L451 HydrophobicContact CG-CG 3.99Å; L444-L466 HydrophobicContact CD2-CD1 3.85Å |
| 445 | T | 71.1 | Confident | 71.1 | Confident | 81 Ų | 81 | 72.1 Ų | 72.1 | 50% | 0.497 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -25 | 175.2 | -39.5 | 0 | 0 | 0 | 0 | 112.7 | Q448 | T445-Q448 WeakPolarHBondContact O-CG 3.29Å; T445-Q448 PolarHBondContact O-N 3.34Å |
| 446 | V | 63.9 | Low | 71.8 | Confident | 132 Ų | 132 | 74 Ų | 74 | 80% | 0.8 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.2 | 115.4 | 177.7 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 447 | P | 62.2 | Low | 72.5 | Confident | 84 Ų | 84 | 70.2 Ų | 70.2 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -52.8 | 150.8 | -22.9 | 28.2 | -35.5 | 0 | 0 | 0 | 110 | L444 R449 | L444-P447 WeakPolarHBondContact CB-O 3.26Å; P447-R449 HydrophobicContact CG-CG 4.47Å; P447-R449 PolarHBondContact O-N 3.09Å |
| 448 | Q | 66.6 | Low | 73.1 | Confident | 122 Ų | 122 | 69.2 Ų | 69.2 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 120.3 | 169 | -71.7 | -164.6 | 7.4 | 0 | 0 | 107.9 | L444 T445 | L444-Q448 WeakPolarHBondContact O-CA 3.46Å; T445-Q448 WeakPolarHBondContact O-CG 3.29Å; T445-Q448 PolarHBondContact O-N 3.34Å |
| 449 | R | 73.3 | Confident | 73.2 | Confident | 101 Ų | 101 | 64.1 Ų | 64.1 | 38% | 0.381 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.2 | 153.5 | 174.2 | 63.2 | 178.3 | -176.7 | 180 | 0.8 | 114.5 | T443 L444 P447 L451 D481 | T443-R449 CarbonylContact C-O 3.53Å; T443-R449 VanDerWaalsContact CA-O 3.24Å; T443-R449 WeakPolarHBondContact CA-O 3.41Å; L444-R449 HydrophobicContact CB-CG 4.23Å; L444-R449 HydrophobicContact CD1-CG 4.25Å; L444-R449 HydrophobicContact CG-CG 4.47Å; L444-R449 PolarHBondContact N-O 2.86Å; L444-R449 PolarHBondContact O-N 2.82Å; P447-R449 HydrophobicContact CG-CG 4.47Å; P447-R449 PolarHBondContact O-N 3.09Å; R449-L451 HydrophobicContact CG-CD2 4.25Å; R449-D481 WeakPolarHBondContact CA-OD1 3.14Å; R449-D481 VanDerWaalsContact CB-CG 3.43Å; R449-D481 WeakPolarHBondContact CB-OD1 3.35Å; R449-D481 VanDerWaalsContact CB-OD2 3.24Å; R449-D481 WeakPolarHBondContact CB-OD2 3.34Å |
| 450 | C | 78.8 | Confident | 73 | Confident | 11 Ų | 11 | 74.1 Ų | 74.1 | 7% | 0.074 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 133.3 | 166.1 | -161.8 | 0 | 0 | 0 | 0 | 110.7 | T443 | T443-C450 HydrophobicContact CG2-CB 4.29Å |
| 451 | L | 74.1 | Confident | 73 | Confident | 21 Ų | 21 | 75.3 Ų | 75.3 | 11% | 0.11 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -0.6 | 177 | -66 | -178.3 | 0 | 0 | 0 | 113.7 | T442 L444 R449 L466 R468 | T442-L451 HydrophobicContact CG2-CD1 4.36Å; T442-L451 PolarHBondContact O-N 2.92Å; L444-L451 HydrophobicContact CD1-CD1 4.05Å; L444-L451 HydrophobicContact CD1-CD2 4.08Å; L444-L451 HydrophobicContact CD1-CG 4.29Å; L444-L451 HydrophobicContact CD2-CD1 3.89Å; L444-L451 HydrophobicContact CG-CD1 3.74Å; L444-L451 HydrophobicContact CG-CD2 4.31Å; L444-L451 HydrophobicContact CG-CG 3.99Å; R449-L451 HydrophobicContact CG-CD2 4.25Å; L451-L466 HydrophobicContact CD1-CD1 3.95Å; L451-R468 WeakPolarHBondContact O-CD 3.24Å; L451-R468 PolarHBondContact O-NE 2.99Å |
| 452 | G | 79.1 | Confident | 72.9 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.5 | -150.3 | -162.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T442 | T442-G452 PolarHBondContact N-O 2.85Å |
| 453 | F | 78.4 | Confident | 72.5 | Confident | 74 Ų | 74 | 81.5 Ų | 81.5 | 33% | 0.325 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 119 | -179.2 | -73.2 | -83.6 | 0 | 0 | 0 | 111.9 | L441 A469 F477 | L441-F453 HydrophobicContact CB-CE1 4.25Å; F453-A469 PolarHBondContact O-N 2.64Å; F453-F477 HydrophobicContact CD2-CE2 4.06Å; F453-F477 AromaticContact CE2-CE2 3.75Å; F453-F477 HydrophobicContact CE2-CE2 3.75Å; F453-F477 AromaticContact CE2-CZ 3.95Å; F453-F477 HydrophobicContact CE2-CZ 3.95Å |
| 454 | A | 78.4 | Confident | 72.5 | Confident | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.008 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 157.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y439 C440 T442 D467 | Y439-A454 WeakPolarHBondContact CA-O 3.29Å; C440-A454 PolarHBondContact N-O 3.05Å; C440-A454 PolarHBondContact O-N 2.78Å; C440-A454 VanDerWaalsContact O-O 3.06Å; T442-A454 HydrophobicContact CG2-CB 4.38Å; A454-D467 CarbonylContact C-O 3.58Å; A454-D467 WeakPolarHBondContact CA-O 3.31Å; A454-D467 WeakPolarHBondContact CB-O 3.28Å |
| 455 | R | 77.8 | Confident | 72.7 | Confident | 55 Ų | 55 | 82 Ų | 82 | 21% | 0.208 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 146.7 | 167.8 | 66.3 | 171.9 | -175.5 | -151.3 | -6.1 | 110.6 | Y437 Y439 L466 D467 | Y437-R455 VanDerWaalsContact O-CD 3.29Å; Y437-R455 WeakPolarHBondContact O-CD 3.39Å; Y439-R455 HydrophobicContact CD1-CB 4.08Å; Y439-R455 HydrophobicContact CD1-CG 4.07Å; Y439-R455 HydrophobicContact CD2-CB 4.17Å; Y439-R455 HydrophobicContact CD2-CG 4.17Å; Y439-R455 HydrophobicContact CE1-CB 4.3Å; Y439-R455 HydrophobicContact CE1-CG 3.76Å; Y439-R455 HydrophobicContact CE2-CB 4.44Å; Y439-R455 HydrophobicContact CE2-CG 3.93Å; Y439-R455 HydrophobicContact CG-CB 4.01Å; Y439-R455 HydrophobicContact CG-CG 4.26Å; R455-L466 WeakPolarHBondContact O-CA 3.36Å; R455-D467 HydrophobicContact CG-CB 3.84Å; R455-D467 IonicContact CZ-OD2 3.31Å; R455-D467 VanDerWaalsContact CZ-OD2 3.26Å; R455-D467 PolarHBondContact N-O 3.36Å; R455-D467 IonicContact NE-OD2 2.79Å; R455-D467 PolarHBondContact NE-OD2 3.09Å; R455-D467 IonicContact NH2-OD2 2.7Å; R455-D467 PolarHBondContact NH2-OD2 3.22Å; R455-D467 PolarHBondContact O-N 3.06Å |
| 456 | R | 74.2 | Confident | 73 | Confident | 132 Ų | 132 | 81.7 Ų | 81.7 | 50% | 0.498 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 116 | -178.3 | -174.9 | 179 | 166.8 | -89.7 | 2.5 | 111.4 | V464 L466 | R456-V464 HydrophobicContact CG-CG1 3.57Å; R456-L466 HydrophobicContact CB-CD2 3.88Å; R456-L466 HydrophobicContact CG-CD2 4.16Å |
| 457 | R | 74 | Confident | 73.7 | Confident | 113 Ų | 113 | 76.5 Ų | 76.5 | 43% | 0.426 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 159.6 | 172.8 | 71.3 | -175.5 | -171.8 | -160.1 | 5.7 | 111.6 | L465 D467 | R457-L465 HydrophobicContact CG-CB 3.77Å; R457-L465 HydrophobicContact CG-CD1 4.43Å; R457-L465 PolarHBondContact N-O 3.32Å; R457-L465 PolarHBondContact O-N 2.94Å; R457-D467 WeakPolarHBondContact CD-OD2 3.34Å; R457-D467 IonicContact CZ-OD1 2.7Å; R457-D467 IonicContact CZ-OD2 2.74Å; R457-D467 IonicContact NE-OD1 3.68Å; R457-D467 PolarHBondContact NE-OD1 3.49Å; R457-D467 IonicContact NE-OD2 2.7Å; R457-D467 IonicContact NH1-OD1 2.67Å; R457-D467 PolarHBondContact NH1-OD1 2.69Å; R457-D467 IonicContact NH1-OD2 3.03Å; R457-D467 PolarHBondContact NH1-OD2 2.92Å; R457-D467 IonicContact NH2-OD1 2.66Å; R457-D467 PolarHBondContact NH2-OD1 2.98Å |
| 458 | V | 74 | Confident | 74.5 | Confident | 96 Ų | 96 | 77.6 Ų | 77.6 | 58% | 0.582 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 116.8 | 175 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | ||
| 459 | G | 72.1 | Confident | 74.8 | Confident | 21 Ų | 21 | 73.1 Ų | 73.1 | 22% | 0.216 | 37% | 0.366 | C | S | . | . | trans | -84 | 174.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | G461 G462 R463 | G459-G461 PolarHBondContact O-N 3.13Å; G459-G462 PolarHBondContact O-N 3.39Å; G459-R463 PolarHBondContact N-O 3.22Å | ||
| 460 | R | 64.4 | Low | 74.8 | Confident | 248 Ų | 248 | 75.7 Ų | 75.7 | 94% | 0.936 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 131.6 | 172.3 | -78.5 | -176.3 | 170.9 | -179.2 | -2.3 | 110.2 | ||
| 461 | G | 72.3 | Confident | 74.4 | Confident | 81 Ų | 81 | 76.2 Ų | 76.2 | 84% | 0.835 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | 11.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | G459 R463 | G459-G461 PolarHBondContact O-N 3.13Å; G461-R463 PolarHBondContact O-N 3.37Å |
| 462 | G | 72.1 | Confident | 74.1 | Confident | 53 Ų | 53 | 80.7 Ų | 80.7 | 55% | 0.546 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 77.2 | -3.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G459 V464 | G459-G462 PolarHBondContact O-N 3.39Å; G462-V464 PolarHBondContact O-N 3.38Å |
| 463 | R | 67.3 | Low | 73.5 | Confident | 152 Ų | 152 | 86.3 Ų | 86.3 | 57% | 0.574 | 43% | 0.432 | S | S | * | . | trans | -60.2 | 131.1 | 176.2 | -71.9 | -170.3 | -80.6 | -161.5 | -3.5 | 110.5 | G459 G461 | G459-R463 PolarHBondContact N-O 3.22Å; G461-R463 PolarHBondContact O-N 3.37Å | ||
| 464 | V | 75.4 | Confident | 73.3 | Confident | 74 Ų | 74 | 83.4 Ų | 83.4 | 45% | 0.448 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 130.6 | 173.8 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | R456 G462 | R456-V464 HydrophobicContact CG-CG1 3.57Å; G462-V464 PolarHBondContact O-N 3.38Å |
| 465 | L | 76.6 | Confident | 73 | Confident | 71 Ų | 71 | 87 Ų | 87 | 37% | 0.372 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 139.7 | 172 | -57.3 | 175 | 0 | 0 | 0 | 108.6 | R457 | R457-L465 HydrophobicContact CG-CB 3.77Å; R457-L465 HydrophobicContact CG-CD1 4.43Å; R457-L465 PolarHBondContact N-O 3.32Å; R457-L465 PolarHBondContact O-N 2.94Å |
| 466 | L | 79.1 | Confident | 72.7 | Confident | 74 Ų | 74 | 88.5 Ų | 88.5 | 39% | 0.387 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 112.7 | 172.1 | -67.9 | 170.9 | 0 | 0 | 0 | 107.9 | L444 L451 R455 R456 | L444-L466 HydrophobicContact CD2-CD1 3.85Å; L451-L466 HydrophobicContact CD1-CD1 3.95Å; R455-L466 WeakPolarHBondContact O-CA 3.36Å; R456-L466 HydrophobicContact CB-CD2 3.88Å; R456-L466 HydrophobicContact CG-CD2 4.16Å |
| 467 | D | 77.1 | Confident | 72.6 | Confident | 23 Ų | 23 | 82.7 Ų | 82.7 | 12% | 0.123 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 122.8 | 169.6 | -57.1 | -15.1 | 0 | 0 | 0 | 106.9 | Y439 A454 R455 R457 | Y439-D467 HydrophobicContact CE1-CB 4.3Å; Y439-D467 VanDerWaalsContact CE1-O 3.26Å; Y439-D467 WeakPolarHBondContact CE1-O 3.48Å; A454-D467 CarbonylContact C-O 3.58Å; A454-D467 WeakPolarHBondContact CA-O 3.31Å; A454-D467 WeakPolarHBondContact CB-O 3.28Å; R455-D467 HydrophobicContact CG-CB 3.84Å; R455-D467 IonicContact CZ-OD2 3.31Å; R455-D467 VanDerWaalsContact CZ-OD2 3.26Å; R455-D467 PolarHBondContact N-O 3.36Å; R455-D467 IonicContact NE-OD2 2.79Å; R455-D467 PolarHBondContact NE-OD2 3.09Å; R455-D467 IonicContact NH2-OD2 2.7Å; R455-D467 PolarHBondContact NH2-OD2 3.22Å; R455-D467 PolarHBondContact O-N 3.06Å; R457-D467 WeakPolarHBondContact CD-OD2 3.34Å; R457-D467 IonicContact CZ-OD1 2.7Å; R457-D467 IonicContact CZ-OD2 2.74Å; R457-D467 IonicContact NE-OD1 3.68Å; R457-D467 PolarHBondContact NE-OD1 3.49Å; R457-D467 IonicContact NE-OD2 2.7Å; R457-D467 IonicContact NH1-OD1 2.67Å; R457-D467 PolarHBondContact NH1-OD1 2.69Å; R457-D467 IonicContact NH1-OD2 3.03Å; R457-D467 PolarHBondContact NH1-OD2 2.92Å; R457-D467 IonicContact NH2-OD1 2.66Å; R457-D467 PolarHBondContact NH2-OD1 2.98Å |
| 468 | R | 78.7 | Confident | 72.4 | Confident | 107 Ų | 107 | 81 Ų | 81 | 40% | 0.404 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 138.2 | 173.1 | 176.6 | 174.5 | 173.3 | 170.4 | 1.7 | 110 | L451 D474 H478 | L451-R468 WeakPolarHBondContact O-CD 3.24Å; L451-R468 PolarHBondContact O-NE 2.99Å; R468-D474 IonicContact CZ-OD2 3.93Å; R468-D474 IonicContact NE-OD2 3.15Å; R468-D474 PolarHBondContact NE-OD2 2.78Å; R468-D474 IonicContact NH2-OD1 2.68Å; R468-D474 IonicContact NH2-OD2 3.73Å; R468-D474 PolarHBondContact NH2-OD2 3.39Å; R468-H478 PolarHBondContact NH1-NE2 2.82Å |
| 469 | A | 73.4 | Confident | 71.9 | Confident | 27 Ų | 27 | 83.2 Ų | 83.2 | 22% | 0.223 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -96 | 148.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y439 F453 | Y439-A469 HydrophobicContact CD1-CB 3.59Å; Y439-A469 HydrophobicContact CE1-CB 3.59Å; Y439-A469 HydrophobicContact CG-CB 4.27Å; F453-A469 PolarHBondContact O-N 2.64Å |
| 470 | H | 73 | Confident | 71.5 | Confident | 155 Ų | 155 | 82.9 Ų | 82.9 | 72% | 0.718 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 141.7 | 166.8 | -177.6 | -87.9 | 0 | 0 | 0 | 109.9 | D472 | H470-D472 IonicContact CE1-OD1 3.85Å; H470-D472 IonicContact ND1-OD1 3.44Å |
| 471 | S | 70.6 | Confident | 71.2 | Confident | 22 Ų | 22 | 73 Ų | 73 | 15% | 0.154 | 39% | 0.392 | C | S | . | . | trans | -143.4 | 144.3 | 166.5 | -171.8 | 0 | 0 | 0 | 0 | 109.1 | Y473 D474 | S471-Y473 PolarHBondContact O-N 2.77Å; S471-Y473 VanDerWaalsContact O-N 3.1Å; S471-D474 PolarHBondContact N-OD2 3.25Å; S471-D474 WeakPolarHBondContact O-CB 3.15Å; S471-D474 VanDerWaalsContact O-CG 3.23Å; S471-D474 PolarHBondContact O-N 3.42Å | ||
| 472 | D | 69 | Low | 70.2 | Confident | 116 Ų | 116 | 75 Ų | 75 | 62% | 0.62 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -17.2 | -176.9 | -42.5 | -64.8 | 0 | 0 | 0 | 112.2 | H470 | H470-D472 IonicContact CE1-OD1 3.85Å; H470-D472 IonicContact ND1-OD1 3.44Å |
| 473 | Y | 66.5 | Low | 69.3 | Low | 118 Ų | 118 | 76.3 Ų | 76.3 | 46% | 0.463 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -1.2 | 171.7 | -55.3 | -76.4 | 0 | 0 | 0 | 114.2 | S471 S475 M476 F477 L513 | S471-Y473 PolarHBondContact O-N 2.77Å; S471-Y473 VanDerWaalsContact O-N 3.1Å; Y473-S475 PolarHBondContact O-N 3.32Å; Y473-M476 HydrophobicContact CD1-SD 4.08Å; Y473-M476 WeakPolarHBondContact O-CA 3.44Å; Y473-M476 WeakPolarHBondContact O-CB 3.39Å; Y473-M476 PolarHBondContact O-N 3.11Å; Y473-F477 WeakPolarHBondContact O-CD2 3.27Å; Y473-F477 PolarHBondContact O-N 3.26Å; Y473-L513 HydrophobicContact CD1-CD2 3.82Å; Y473-L513 HydrophobicContact CE1-CD2 3.84Å |
| 474 | D | 72.4 | Confident | 68.7 | Low | 13 Ų | 13 | 72.3 Ų | 72.3 | 7% | 0.07 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.2 | -30 | -177.1 | -85.4 | 1.3 | 0 | 0 | 0 | 113 | R468 S471 F477 H478 | R468-D474 IonicContact CZ-OD2 3.93Å; R468-D474 IonicContact NE-OD2 3.15Å; R468-D474 PolarHBondContact NE-OD2 2.78Å; R468-D474 IonicContact NH2-OD1 2.68Å; R468-D474 IonicContact NH2-OD2 3.73Å; R468-D474 PolarHBondContact NH2-OD2 3.39Å; S471-D474 PolarHBondContact N-OD2 3.25Å; S471-D474 WeakPolarHBondContact O-CB 3.15Å; S471-D474 VanDerWaalsContact O-CG 3.23Å; S471-D474 PolarHBondContact O-N 3.42Å; D474-F477 PolarHBondContact O-N 3.26Å; D474-H478 WeakPolarHBondContact O-CB 3.23Å; D474-H478 PolarHBondContact O-CD2 3.03Å; D474-H478 PolarHBondContact O-N 2.8Å |
| 475 | S | 73.8 | Confident | 67.4 | Low | 76 Ų | 76 | 75.1 Ų | 75.1 | 53% | 0.531 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 170.6 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | Y473 H478 H479 | Y473-S475 PolarHBondContact O-N 3.32Å; S475-H478 PolarHBondContact O-N 2.74Å; S475-H479 PolarHBondContact O-CD2 3.02Å; S475-H479 PolarHBondContact O-N 2.59Å; S475-H479 VanDerWaalsContact O-N 3.12Å |
| 476 | M | 71.1 | Confident | 65.9 | Low | 86 Ų | 86 | 76.5 Ų | 76.5 | 42% | 0.424 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68 | -39.4 | 176.8 | -59.3 | -175.9 | 72 | 0 | 0 | 111.8 | Y473 H478 H479 L480 L513 L517 | Y473-M476 HydrophobicContact CD1-SD 4.08Å; Y473-M476 WeakPolarHBondContact O-CA 3.44Å; Y473-M476 WeakPolarHBondContact O-CB 3.39Å; Y473-M476 PolarHBondContact O-N 3.11Å; M476-H478 VanDerWaalsContact C-N 3.31Å; M476-H478 PolarHBondContact O-N 2.95Å; M476-H479 PolarHBondContact O-N 3.48Å; M476-H479 VanDerWaalsContact O-N 3.17Å; M476-L480 PolarHBondContact O-N 3.32Å; M476-L513 HydrophobicContact CE-CD2 4.11Å; M476-L513 HydrophobicContact SD-CD2 4.09Å; M476-L517 HydrophobicContact CE-CD1 4.21Å |
| 477 | F | 72.7 | Confident | 64.2 | Low | 11 Ų | 11 | 77.1 Ų | 77.1 | 5% | 0.048 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.3 | -34.3 | 175.4 | -63.8 | -46.9 | 0 | 0 | 0 | 112.4 | L441 F453 Y473 D474 L480 | L441-F477 HydrophobicContact CD1-CD1 3.85Å; L441-F477 HydrophobicContact CD1-CD2 4.19Å; L441-F477 HydrophobicContact CD1-CE1 3.75Å; L441-F477 HydrophobicContact CD1-CE2 4.1Å; L441-F477 HydrophobicContact CD1-CG 4.09Å; L441-F477 HydrophobicContact CD1-CZ 3.89Å; L441-F477 HydrophobicContact CD2-CE1 4.05Å; F453-F477 HydrophobicContact CD2-CE2 4.06Å; F453-F477 AromaticContact CE2-CE2 3.75Å; F453-F477 HydrophobicContact CE2-CE2 3.75Å; F453-F477 AromaticContact CE2-CZ 3.95Å; F453-F477 HydrophobicContact CE2-CZ 3.95Å; Y473-F477 WeakPolarHBondContact O-CD2 3.27Å; Y473-F477 PolarHBondContact O-N 3.26Å; D474-F477 PolarHBondContact O-N 3.26Å; F477-L480 HydrophobicContact CD1-CD1 4.24Å |
| 478 | H | 68.2 | Low | 62.3 | Low | 78 Ų | 78 | 81.5 Ų | 81.5 | 36% | 0.361 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.3 | -30.7 | 171.3 | -78.5 | -51.4 | 0 | 0 | 0 | 113.4 | R468 D474 S475 M476 L480 D481 | R468-H478 PolarHBondContact NH1-NE2 2.82Å; D474-H478 WeakPolarHBondContact O-CB 3.23Å; D474-H478 PolarHBondContact O-CD2 3.03Å; D474-H478 PolarHBondContact O-N 2.8Å; S475-H478 PolarHBondContact O-N 2.74Å; M476-H478 VanDerWaalsContact C-N 3.31Å; M476-H478 PolarHBondContact O-N 2.95Å; H478-L480 VanDerWaalsContact C-N 3.34Å; H478-L480 PolarHBondContact O-N 3.11Å; H478-D481 WeakPolarHBondContact O-CB 3.35Å; H478-D481 PolarHBondContact O-N 3.19Å |
| 479 | H | 64.4 | Low | 60.3 | Low | 141 Ų | 141 | 85.4 Ų | 85.4 | 65% | 0.653 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -70.8 | -24.4 | 175.6 | -91.8 | -77.1 | 0 | 0 | 0 | 114.3 | S475 M476 D481 L482 | S475-H479 PolarHBondContact O-CD2 3.02Å; S475-H479 PolarHBondContact O-N 2.59Å; S475-H479 VanDerWaalsContact O-N 3.12Å; M476-H479 PolarHBondContact O-N 3.48Å; M476-H479 VanDerWaalsContact O-N 3.17Å; H479-D481 PolarHBondContact O-N 2.96Å; H479-L482 PolarHBondContact O-N 3.29Å |
| 480 | L | 63.2 | Low | 58.5 | Low | 14 Ų | 14 | 89.8 Ų | 89.8 | 7% | 0.073 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -63.1 | -23.6 | 172.6 | -68 | 172 | 0 | 0 | 0 | 113.2 | M476 F477 H478 L482 D483 M484 L517 I520 K521 | M476-L480 PolarHBondContact O-N 3.32Å; F477-L480 HydrophobicContact CD1-CD1 4.24Å; H478-L480 VanDerWaalsContact C-N 3.34Å; H478-L480 PolarHBondContact O-N 3.11Å; L480-L482 VanDerWaalsContact C-N 3.28Å; L480-L482 PolarHBondContact O-N 3.44Å; L480-D483 PolarHBondContact O-N 2.71Å; L480-M484 WeakPolarHBondContact O-CG 3.24Å; L480-M484 PolarHBondContact O-N 3.27Å; L480-L517 HydrophobicContact CD1-CD2 3.88Å; L480-L517 HydrophobicContact CD2-CD2 4.1Å; L480-L517 HydrophobicContact CG-CD2 4.35Å; L480-I520 HydrophobicContact CD1-CG2 4.29Å; L480-K521 HydrophobicContact CD2-CG 4.29Å |
| 481 | D | 58.3 | Low | 56.5 | Low | 40 Ų | 40 | 86.9 Ų | 86.9 | 21% | 0.214 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63.9 | -33.8 | -177.8 | -147.6 | 8.6 | 0 | 0 | 0 | 111.9 | R449 H478 H479 | R449-D481 WeakPolarHBondContact CA-OD1 3.14Å; R449-D481 VanDerWaalsContact CB-CG 3.43Å; R449-D481 WeakPolarHBondContact CB-OD1 3.35Å; R449-D481 VanDerWaalsContact CB-OD2 3.24Å; R449-D481 WeakPolarHBondContact CB-OD2 3.34Å; H478-D481 WeakPolarHBondContact O-CB 3.35Å; H478-D481 PolarHBondContact O-N 3.19Å; H479-D481 PolarHBondContact O-N 2.96Å |
| 482 | L | 52.1 | Low | 55 | Low | 125 Ų | 125 | 92 Ų | 92 | 65% | 0.654 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -79.1 | -40.9 | -179.2 | -164 | 67.3 | 0 | 0 | 0 | 112.3 | H479 L480 | H479-L482 PolarHBondContact O-N 3.29Å; L480-L482 VanDerWaalsContact C-N 3.28Å; L480-L482 PolarHBondContact O-N 3.44Å |
| 483 | D | 53 | Low | 53.1 | Low | 80 Ų | 80 | 91.3 Ų | 91.3 | 43% | 0.428 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 178.4 | -84.6 | 9.5 | 0 | 0 | 0 | 112.1 | L480 L485 S486 K521 | L480-D483 PolarHBondContact O-N 2.71Å; D483-L485 PolarHBondContact O-N 2.6Å; D483-S486 VanDerWaalsContact O-CB 3.27Å; D483-S486 WeakPolarHBondContact O-CB 3.25Å; D483-S486 PolarHBondContact O-N 3.19Å; D483-S486 PolarHBondContact O-OG 2.82Å; D483-K521 WeakPolarHBondContact OD2-CE 3.4Å; D483-K521 IonicContact OD2-NZ 3.34Å; D483-K521 PolarHBondContact OD2-NZ 3.22Å |
| 484 | M | 53.8 | Low | 51.8 | Low | 67 Ų | 67 | 93.8 Ų | 93.8 | 33% | 0.33 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60 | -29.8 | -176.7 | -70.2 | -102.1 | 73.9 | 0 | 0 | 113.1 | L480 S486 | L480-M484 WeakPolarHBondContact O-CG 3.24Å; L480-M484 PolarHBondContact O-N 3.27Å; M484-S486 PolarHBondContact O-N 2.86Å |
| 485 | L | 49.2 | Very low | 49.8 | Very low | 133 Ų | 133 | 101 Ų | 101 | 70% | 0.696 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -8.6 | 178.5 | -64.1 | 171.8 | 0 | 0 | 0 | 113.7 | D483 | D483-L485 PolarHBondContact O-N 2.6Š|
| 486 | S | 43.8 | Very low | 47.9 | Very low | 100 Ų | 100 | 107.8 Ų | 107.8 | 70% | 0.699 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -6.2 | -176.4 | -52.2 | 0 | 0 | 0 | 0 | 114.3 | D483 M484 | D483-S486 VanDerWaalsContact O-CB 3.27Å; D483-S486 WeakPolarHBondContact O-CB 3.25Å; D483-S486 PolarHBondContact O-N 3.19Å; D483-S486 PolarHBondContact O-OG 2.82Å; M484-S486 PolarHBondContact O-N 2.86Å |
| 487 | S | 43.6 | Very low | 45.9 | Very low | 87 Ų | 87 | 107.6 Ų | 107.6 | 61% | 0.608 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -90.9 | 138 | -173.5 | -165.9 | 0 | 0 | 0 | 0 | 112.4 | ||
| 488 | P | 37.9 | Very low | 43.8 | Very low | 115 Ų | 115 | 114 Ų | 114 | 75% | 0.747 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 142 | 176 | -23.4 | 33.8 | 0 | 0 | 0 | 113.1 | ||
| 489 | Q | 36.5 | Very low | 41.8 | Very low | 189 Ų | 189 | 116.6 Ų | 116.6 | 88% | 0.883 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 131.7 | 175.1 | -82.9 | -162.9 | -14.6 | 0 | 0 | 111.8 | ||
| 490 | P | 34.7 | Very low | 40.1 | Very low | 120 Ų | 120 | 114.9 Ų | 114.9 | 78% | 0.779 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 141.9 | 159.1 | 31.1 | -32.6 | 0 | 0 | 0 | 109.9 | ||
| 491 | S | 31.3 | Very low | 38.6 | Very low | 93 Ų | 93 | 120.5 Ų | 120.5 | 65% | 0.65 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 155.3 | -177.9 | 50.7 | 0 | 0 | 0 | 0 | 113.3 | V493 | S491-V493 PolarHBondContact O-N 3.42Š|
| 492 | P | 39.8 | Very low | 37.1 | Very low | 130 Ų | 130 | 124.8 Ų | 124.8 | 84% | 0.844 | 71% | 0.714 | S | S | * | * | trans | -75.4 | 83.7 | -174 | 30.7 | -36.4 | 0 | 0 | 0 | 112.7 | ||||
| 493 | V | 29.3 | Very low | 36.1 | Very low | 101 Ų | 101 | 125.4 Ų | 125.4 | 61% | 0.612 | 72% | 0.718 | S | S | * | * | trans | -89.4 | 109.1 | 174.5 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | S491 Q495 | S491-V493 PolarHBondContact O-N 3.42Å; V493-Q495 HydrophobicContact CG1-CB 4.3Å; V493-Q495 HydrophobicContact CG1-CG 3.92Å; V493-Q495 PolarHBondContact O-N 3.19Å | ||
| 494 | N | 38.5 | Very low | 34.9 | Very low | 171 Ų | 171 | 127.8 Ų | 127.8 | 91% | 0.914 | 74% | 0.736 | S | S | * | * | trans | -71 | 85.8 | 169.9 | -85.8 | -39.2 | 0 | 0 | 0 | 111.1 | ||||
| 495 | Q | 30.4 | Very low | 33.9 | Very low | 163 Ų | 163 | 129.3 Ų | 129.3 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | -136.2 | 125.1 | 166.8 | -74 | -171.9 | -3.1 | 0 | 0 | 111.9 | V493 A497 | V493-Q495 HydrophobicContact CG1-CB 4.3Å; V493-Q495 HydrophobicContact CG1-CG 3.92Å; V493-Q495 PolarHBondContact O-N 3.19Å; Q495-A497 PolarHBondContact O-N 3.09Å | ||
| 496 | F | 34.7 | Very low | 32.9 | Very low | 219 Ų | 219 | 130.1 Ų | 130.1 | 96% | 0.961 | 76% | 0.758 | S | S | * | * | trans | -73.6 | 91.2 | 170 | -76.3 | -86.3 | 0 | 0 | 0 | 110 | N498 | F496-N498 PolarHBondContact O-N 2.99Š| ||
| 497 | A | 27.6 | Very low | 32.3 | Very low | 82 Ų | 82 | 135.2 Ų | 135.2 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | trans | -70.2 | 93.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q495 | Q495-A497 PolarHBondContact O-N 3.09Š| ||
| 498 | N | 29.5 | Very low | 32.1 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | -69.6 | 177.7 | 152.9 | -92.7 | -17.3 | 0 | 0 | 0 | 110.3 | F496 | F496-N498 PolarHBondContact O-N 2.99Š| ||
| 499 | T | 26.9 | Very low | 31.8 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | 79.3 | 148.5 | -172 | 75.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 500 | S | 27.4 | Very low | 31.9 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | cis | -159.5 | 172.6 | -24.3 | -97.8 | 0 | 0 | 0 | 0 | 108.3 | T502 | S500-T502 PolarHBondContact O-N 3.31Š| ||
| 501 | E | 33.1 | Very low | 32.3 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 62% | 0.617 | 76% | 0.762 | S | S | * | * | trans | -65.4 | 132.1 | 178 | -59.1 | -159.1 | 125.6 | 0 | 0 | 112.4 | R531 | E501-R531 IonicContact OE1-CZ 3.37Å; E501-R531 IonicContact OE1-NH1 3.22Å; E501-R531 PolarHBondContact OE1-NH1 2.96Å; E501-R531 VanDerWaalsContact OE1-NH1 3.1Å; E501-R531 IonicContact OE1-NH2 2.71Å; E501-R531 PolarHBondContact OE1-NH2 3.28Å | ||
| 502 | T | 26.6 | Very low | 33.1 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | trans | -126.9 | 115.7 | 162.2 | 34.8 | 0 | 0 | 0 | 0 | 108.3 | S500 T504 | S500-T502 PolarHBondContact O-N 3.31Å; T502-T504 PolarHBondContact O-N 3.12Å | ||
| 503 | N | 29.6 | Very low | 33.8 | Very low | 137 Ų | 137 | 131.1 Ų | 131.1 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | trans | -71.9 | 124.9 | 178.3 | -68.8 | -54.6 | 0 | 0 | 0 | 110 | ||||
| 504 | T | 28.6 | Very low | 35.1 | Very low | 131 Ų | 131 | 129.3 Ų | 129.3 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | trans | -124.3 | 30.9 | 163.6 | 66.3 | 0 | 0 | 0 | 0 | 111.5 | T502 D506 | T502-T504 PolarHBondContact O-N 3.12Å; T504-D506 PolarHBondContact O-N 2.89Å | ||
| 505 | S | 32.4 | Very low | 36.1 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 69% | 0.685 | 70% | 0.699 | S | S | * | * | trans | -84.6 | 86.3 | 160.2 | 54.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 506 | D | 29.3 | Very low | 37.4 | Very low | 150 Ų | 150 | 120.4 Ų | 120.4 | 80% | 0.802 | 68% | 0.676 | S | S | * | * | trans | -151.8 | 159.9 | 155.9 | -125.3 | -36 | 0 | 0 | 0 | 114.3 | T504 | T504-D506 PolarHBondContact O-N 2.89Š| ||
| 507 | R | 31.5 | Very low | 38.5 | Very low | 207 Ų | 207 | 111.5 Ų | 111.5 | 78% | 0.781 | 64% | 0.639 | S | S | * | * | trans | -51.8 | 129.7 | -155 | -62.5 | 169.3 | 77.6 | -139 | 2.2 | 117.7 | S509 | R507-S509 PolarHBondContact O-N 2.89Š| ||
| 508 | S | 38.8 | Very low | 40.2 | Very low | 113 Ų | 113 | 111.5 Ų | 111.5 | 79% | 0.79 | 63% | 0.63 | S | S | * | * | trans | 22.2 | 85.6 | 138.2 | 62.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 509 | S | 32 | Very low | 41.5 | Very low | 100 Ų | 100 | 106 Ų | 106 | 70% | 0.699 | 60% | 0.601 | S | S | * | * | trans | -151.4 | 150.5 | 148.5 | 53 | 0 | 0 | 0 | 0 | 109.2 | R507 K511 | R507-S509 PolarHBondContact O-N 2.89Å; S509-K511 PolarHBondContact O-N 2.55Å; S509-K511 VanDerWaalsContact O-N 3.12Å | ||
| 510 | S | 37.3 | Very low | 43 | Very low | 124 Ų | 124 | 101.1 Ų | 101.1 | 87% | 0.867 | 57% | 0.569 | S | S | * | * | trans | -71.4 | 104.1 | 178.3 | 49.7 | 0 | 0 | 0 | 0 | 109.8 | D512 | S510-D512 PolarHBondContact O-N 3.21Š| ||
| 511 | K | 42.9 | Very low | 44.2 | Very low | 155 Ų | 155 | 101.5 Ų | 101.5 | 67% | 0.674 | 56% | 0.558 | S | S | * | * | trans | -66.7 | 121 | 168 | -68.8 | -172.7 | 177.7 | -176.2 | 0 | 108.5 | S509 | S509-K511 PolarHBondContact O-N 2.55Å; S509-K511 VanDerWaalsContact O-N 3.12Å | ||
| 512 | D | 49.4 | Very low | 45.2 | Very low | 104 Ų | 104 | 98.1 Ų | 98.1 | 56% | 0.556 | 55% | 0.548 | S | S | * | . | trans | -56.1 | 142.5 | 178.5 | -177.7 | 20.3 | 0 | 0 | 0 | 111 | S510 S514 Q515 I516 | S510-D512 PolarHBondContact O-N 3.21Å; D512-S514 VanDerWaalsContact CG-OG 3.23Å; D512-S514 PolarHBondContact O-N 3.19Å; D512-S514 WeakPolarHBondContact OD2-CB 3.49Å; D512-S514 PolarHBondContact OD2-OG 3.13Å; D512-Q515 PolarHBondContact O-N 2.97Å; D512-I516 PolarHBondContact O-N 3.28Å | ||
| 513 | L | 54.3 | Low | 46.3 | Very low | 53 Ų | 53 | 96 Ų | 96 | 28% | 0.277 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.1 | -34.1 | -177.9 | -166.2 | 74.3 | 0 | 0 | 0 | 110.6 | Y473 M476 Q515 I516 L517 | Y473-L513 HydrophobicContact CD1-CD2 3.82Å; Y473-L513 HydrophobicContact CE1-CD2 3.84Å; M476-L513 HydrophobicContact CE-CD2 4.11Å; M476-L513 HydrophobicContact SD-CD2 4.09Å; L513-Q515 VanDerWaalsContact C-N 3.34Å; L513-Q515 PolarHBondContact O-N 3.38Å; L513-I516 PolarHBondContact O-N 2.86Å; L513-L517 HydrophobicContact CD2-CD1 4.44Å; L513-L517 HydrophobicContact CG-CD1 4.15Å; L513-L517 VanDerWaalsContact O-CG 3.25Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 3.35Å |
| 514 | S | 57.3 | Low | 47.4 | Very low | 62 Ų | 62 | 97.6 Ų | 97.6 | 43% | 0.434 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -52.5 | -47.5 | 174 | 70.1 | 0 | 0 | 0 | 0 | 112.6 | D512 I516 L517 V518 | D512-S514 VanDerWaalsContact CG-OG 3.23Å; D512-S514 PolarHBondContact O-N 3.19Å; D512-S514 WeakPolarHBondContact OD2-CB 3.49Å; D512-S514 PolarHBondContact OD2-OG 3.13Å; S514-I516 PolarHBondContact O-N 2.93Å; S514-L517 PolarHBondContact O-N 2.83Å; S514-V518 WeakPolarHBondContact O-CG2 3.25Å; S514-V518 PolarHBondContact O-N 3.38Å |
| 515 | Q | 58.5 | Low | 48.3 | Very low | 93 Ų | 93 | 99.9 Ų | 99.9 | 44% | 0.435 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.2 | -35.3 | -176.7 | -173.6 | 58.9 | 66.7 | 0 | 0 | 111.9 | D512 L513 V518 D519 | D512-Q515 PolarHBondContact O-N 2.97Å; L513-Q515 VanDerWaalsContact C-N 3.34Å; L513-Q515 PolarHBondContact O-N 3.38Å; Q515-V518 PolarHBondContact O-N 3.04Å; Q515-D519 PolarHBondContact O-N 3.09Å |
| 516 | I | 58.4 | Low | 48.6 | Very low | 55 Ų | 55 | 105.3 Ų | 105.3 | 28% | 0.282 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 174.8 | -61 | 173.8 | 0 | 0 | 0 | 109.9 | D512 L513 S514 V518 D519 I520 | D512-I516 PolarHBondContact O-N 3.28Å; L513-I516 PolarHBondContact O-N 2.86Å; S514-I516 PolarHBondContact O-N 2.93Å; I516-V518 VanDerWaalsContact C-N 3.34Å; I516-V518 PolarHBondContact O-N 3.27Å; I516-D519 PolarHBondContact O-N 2.88Å; I516-I520 HydrophobicContact CG2-CD1 3.99Å; I516-I520 WeakPolarHBondContact O-CD1 3.38Å; I516-I520 VanDerWaalsContact O-CG1 3.29Å; I516-I520 WeakPolarHBondContact O-CG1 3.35Å; I516-I520 PolarHBondContact O-N 3.39Å |
| 517 | L | 57.8 | Low | 48.9 | Very low | 32 Ų | 32 | 104.9 Ų | 104.9 | 17% | 0.168 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 176.3 | -65.6 | 167.3 | 0 | 0 | 0 | 111.9 | M476 L480 L513 S514 I520 K521 | M476-L517 HydrophobicContact CE-CD1 4.21Å; L480-L517 HydrophobicContact CD1-CD2 3.88Å; L480-L517 HydrophobicContact CD2-CD2 4.1Å; L480-L517 HydrophobicContact CG-CD2 4.35Å; L513-L517 HydrophobicContact CD2-CD1 4.44Å; L513-L517 HydrophobicContact CG-CD1 4.15Å; L513-L517 VanDerWaalsContact O-CG 3.25Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 3.35Å; S514-L517 PolarHBondContact O-N 2.83Å; L517-I520 PolarHBondContact O-N 2.96Å; L517-K521 WeakPolarHBondContact O-CB 3.43Å; L517-K521 WeakPolarHBondContact O-CG 3.43Å; L517-K521 PolarHBondContact O-N 3.37Å |
| 518 | V | 63.1 | Low | 48.9 | Very low | 82 Ų | 82 | 102.9 Ų | 102.9 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 174.1 | 168.3 | 0 | 0 | 0 | 0 | 112.2 | S514 Q515 I516 I520 K521 S522 | S514-V518 WeakPolarHBondContact O-CG2 3.25Å; S514-V518 PolarHBondContact O-N 3.38Å; Q515-V518 PolarHBondContact O-N 3.04Å; I516-V518 VanDerWaalsContact C-N 3.34Å; I516-V518 PolarHBondContact O-N 3.27Å; V518-I520 VanDerWaalsContact C-N 3.29Å; V518-I520 PolarHBondContact O-N 3.3Å; V518-K521 PolarHBondContact O-N 2.97Å; V518-S522 WeakPolarHBondContact O-CB 3.35Å; V518-S522 PolarHBondContact O-N 3.32Å; V518-S522 PolarHBondContact O-OG 2.84Å |
| 519 | D | 57.3 | Low | 48.6 | Very low | 30 Ų | 30 | 108.5 Ų | 108.5 | 16% | 0.16 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -68.4 | -26.4 | 177.9 | -80.2 | -20.9 | 0 | 0 | 0 | 113.3 | Q515 I516 S522 R524 | Q515-D519 PolarHBondContact O-N 3.09Å; I516-D519 PolarHBondContact O-N 2.88Å; D519-S522 WeakPolarHBondContact CA-OG 3.24Å; D519-S522 PolarHBondContact O-OG 3.25Å; D519-R524 PolarHBondContact O-N 2.84Å; D519-R524 IonicContact OD1-CZ 2.67Å; D519-R524 IonicContact OD1-NE 3.1Å; D519-R524 IonicContact OD1-NH1 2.62Å; D519-R524 PolarHBondContact OD1-NH1 3.34Å |
| 520 | I | 56.4 | Low | 48.6 | Very low | 30 Ų | 30 | 107.7 Ų | 107.7 | 15% | 0.154 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -74.1 | -52.5 | 170.2 | -66.5 | 163.2 | 0 | 0 | 0 | 110.6 | L441 L480 I516 L517 V518 S522 C523 | L441-I520 HydrophobicContact CD2-CD1 3.65Å; L480-I520 HydrophobicContact CD1-CG2 4.29Å; I516-I520 HydrophobicContact CG2-CD1 3.99Å; I516-I520 WeakPolarHBondContact O-CD1 3.38Å; I516-I520 VanDerWaalsContact O-CG1 3.29Å; I516-I520 WeakPolarHBondContact O-CG1 3.35Å; I516-I520 PolarHBondContact O-N 3.39Å; L517-I520 PolarHBondContact O-N 2.96Å; V518-I520 VanDerWaalsContact C-N 3.29Å; V518-I520 PolarHBondContact O-N 3.3Å; I520-S522 PolarHBondContact O-N 2.88Å; I520-C523 PolarHBondContact O-N 2.89Å |
| 521 | K | 54.3 | Low | 48.2 | Very low | 114 Ų | 114 | 111.5 Ų | 111.5 | 50% | 0.496 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -25.6 | -179.5 | -72.3 | -167.7 | -173.7 | -162.9 | 0 | 113.5 | L480 D483 L517 V518 C523 | L480-K521 HydrophobicContact CD2-CG 4.29Å; D483-K521 WeakPolarHBondContact OD2-CE 3.4Å; D483-K521 IonicContact OD2-NZ 3.34Å; D483-K521 PolarHBondContact OD2-NZ 3.22Å; L517-K521 WeakPolarHBondContact O-CB 3.43Å; L517-K521 WeakPolarHBondContact O-CG 3.43Å; L517-K521 PolarHBondContact O-N 3.37Å; V518-K521 PolarHBondContact O-N 2.97Å; K521-C523 VanDerWaalsContact C-N 3.34Å |
| 522 | S | 53.3 | Low | 47.6 | Very low | 61 Ų | 61 | 110.3 Ų | 110.3 | 43% | 0.427 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 9.1 | 174.8 | 56.2 | 0 | 0 | 0 | 0 | 114.4 | V518 D519 I520 R524 | V518-S522 WeakPolarHBondContact O-CB 3.35Å; V518-S522 PolarHBondContact O-N 3.32Å; V518-S522 PolarHBondContact O-OG 2.84Å; D519-S522 WeakPolarHBondContact CA-OG 3.24Å; D519-S522 PolarHBondContact O-OG 3.25Å; I520-S522 PolarHBondContact O-N 2.88Å; S522-R524 PolarHBondContact O-N 3.43Å; S522-R524 VanDerWaalsContact O-N 3.1Å; S522-R524 WeakPolarHBondContact OG-CD 3.47Å; S522-R524 WeakPolarHBondContact OG-CG 3.46Å |
| 523 | C | 50.3 | Low | 46.7 | Very low | 84 Ų | 84 | 111.2 Ų | 111.2 | 57% | 0.568 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 24.2 | 177.3 | -63.8 | 0 | 0 | 0 | 0 | 115 | I520 K521 W525 | I520-C523 PolarHBondContact O-N 2.89Å; K521-C523 VanDerWaalsContact C-N 3.34Å; C523-W525 VanDerWaalsContact C-N 3.35Å |
| 524 | R | 52.6 | Low | 45.4 | Very low | 171 Ų | 171 | 113.9 Ų | 113.9 | 65% | 0.645 | 56% | 0.555 | S | S | * | * | trans | -75.8 | -25 | -176.1 | -63.3 | 175.7 | 79.7 | -160.7 | 10.7 | 112.5 | D519 S522 R526 | D519-R524 PolarHBondContact O-N 2.84Å; D519-R524 IonicContact OD1-CZ 2.67Å; D519-R524 IonicContact OD1-NE 3.1Å; D519-R524 IonicContact OD1-NH1 2.62Å; D519-R524 PolarHBondContact OD1-NH1 3.34Å; S522-R524 PolarHBondContact O-N 3.43Å; S522-R524 VanDerWaalsContact O-N 3.1Å; S522-R524 WeakPolarHBondContact OG-CD 3.47Å; S522-R524 WeakPolarHBondContact OG-CG 3.46Å; R524-R526 PolarHBondContact O-N 2.93Å | ||
| 525 | W | 47.3 | Very low | 44.3 | Very low | 180 Ų | 180 | 118.7 Ų | 118.7 | 68% | 0.682 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -83.7 | 102.6 | 176.8 | -78.4 | 55.7 | 0 | 0 | 0 | 111.2 | C523 | C523-W525 VanDerWaalsContact C-N 3.35Š|
| 526 | R | 38.1 | Very low | 42.9 | Very low | 211 Ų | 211 | 122.8 Ų | 122.8 | 80% | 0.796 | 59% | 0.594 | S | S | * | * | trans | -93 | 123.8 | 178 | -71.7 | -174.4 | 168.6 | -162.6 | -4.2 | 112.4 | R524 | R524-R526 PolarHBondContact O-N 2.93Š| ||
| 527 | H | 35.7 | Very low | 41.5 | Very low | 142 Ų | 142 | 126.8 Ų | 126.8 | 66% | 0.657 | 62% | 0.616 | S | S | * | * | trans | 6.1 | 120.2 | 162.9 | -57.4 | 92.5 | 0 | 0 | 0 | 119 | R529 | H527-R529 PolarHBondContact O-N 2.94Å; H527-R529 VanDerWaalsContact O-N 3.14Å | ||
| 528 | F | 32.7 | Very low | 40.2 | Very low | 164 Ų | 164 | 130 Ų | 130 | 72% | 0.719 | 64% | 0.641 | S | S | * | * | trans | -62.8 | 108.7 | 173.3 | -178.7 | -99 | 0 | 0 | 0 | 113 | P530 | F528-P530 HydrophobicContact CD1-CG 4.4Å; F528-P530 HydrophobicContact CE1-CG 3.86Å | ||
| 529 | R | 32.5 | Very low | 38.6 | Very low | 232 Ų | 232 | 132.9 Ų | 132.9 | 88% | 0.875 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 126.3 | 158.4 | -96.3 | -170.8 | 173.2 | -169 | -0.1 | 109.5 | H527 | H527-R529 PolarHBondContact O-N 2.94Å; H527-R529 VanDerWaalsContact O-N 3.14Å |
| 530 | P | 30.1 | Very low | 37.2 | Very low | 82 Ų | 82 | 136.6 Ų | 136.6 | 53% | 0.532 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 135.4 | 166.2 | -17 | 29.2 | 0 | 0 | 0 | 110.4 | F528 T532 | F528-P530 HydrophobicContact CD1-CG 4.4Å; F528-P530 HydrophobicContact CE1-CG 3.86Å; P530-T532 PolarHBondContact O-N 3.37Å |
| 531 | R | 29.8 | Very low | 35.9 | Very low | 204 Ų | 204 | 142 Ų | 142 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -66 | 126.6 | 165.1 | -70.9 | -170.2 | -176.9 | -145.4 | -3.9 | 108.9 | E501 | E501-R531 IonicContact OE1-CZ 3.37Å; E501-R531 IonicContact OE1-NH1 3.22Å; E501-R531 PolarHBondContact OE1-NH1 2.96Å; E501-R531 VanDerWaalsContact OE1-NH1 3.1Å; E501-R531 IonicContact OE1-NH2 2.71Å; E501-R531 PolarHBondContact OE1-NH2 3.28Å |
| 532 | T | 31.2 | Very low | 34.7 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 80% | 0.798 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 135.8 | 151 | 41.4 | 0 | 0 | 0 | 0 | 108 | P530 S534 | P530-T532 PolarHBondContact O-N 3.37Å; T532-S534 PolarHBondContact O-N 2.92Å |
| 533 | P | 29.9 | Very low | 33.5 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 137.6 | 172.6 | -22.4 | 33.6 | 0 | 0 | 0 | 110.7 | ||
| 534 | S | 27.1 | Very low | 32.4 | Very low | 109 Ų | 109 | 149.4 Ų | 149.4 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 132.7 | 162.4 | 45.7 | 0 | 0 | 0 | 0 | 109 | T532 | T532-S534 PolarHBondContact O-N 2.92Š|
| 535 | L | 34.7 | Very low | 31.2 | Very low | 163 Ų | 163 | 145.5 Ų | 145.5 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 138.2 | 158 | -119.4 | 74 | 0 | 0 | 0 | 108.1 | ||
| 536 | H | 27.4 | Very low | 30.3 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | -148.2 | 133.6 | 160.4 | -147.3 | -70.6 | 0 | 0 | 0 | 108.9 | ||||
| 537 | D | 29.8 | Very low | 29.9 | Very low | 138 Ų | 138 | 146.4 Ų | 146.4 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | -80.7 | 158.6 | -176.4 | -71 | -60.6 | 0 | 0 | 0 | 113.3 | ||||
| 538 | S | 30.6 | Very low | 29.4 | Very low | 100 Ų | 100 | 145.8 Ų | 145.8 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | -178.9 | 137.3 | 136.7 | -95 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 539 | D | 29.6 | Very low | 29.1 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | cis | -154.7 | 165.6 | -4.5 | -79.2 | -39.3 | 0 | 0 | 0 | 110 | ||||
| 540 | S | 28.3 | Very low | 28.7 | Very low | 108 Ų | 108 | 145.9 Ų | 145.9 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | 62.9 | 139.5 | 164.3 | -100.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 541 | D | 29.1 | Very low | 28.5 | Very low | 144 Ų | 144 | 147 Ų | 147 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | cis | -144.8 | 150.8 | 21.9 | -90.2 | -37.4 | 0 | 0 | 0 | 115.1 | ||||
| 542 | E | 28.3 | Very low | 28.3 | Very low | 170 Ų | 170 | 143.7 Ų | 143.7 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | 43 | 152.1 | 146.6 | -106 | -164.9 | 157 | 0 | 0 | 127.6 | ||||
| 543 | L | 28.7 | Very low | 28.2 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | 80.6 | 74.2 | 152.4 | -67.8 | 166.9 | 0 | 0 | 0 | 123.1 | ||||
| 544 | S | 27.4 | Very low | 28.1 | Very low | 104 Ų | 104 | 149.7 Ų | 149.7 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | 75.4 | 122.8 | 111.3 | -159.6 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 545 | S | 27.4 | Very low | 28 | Very low | 90 Ų | 90 | 150.9 Ų | 150.9 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | 122.4 | 110.5 | 124.6 | -87.6 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 546 | R | 28.7 | Very low | 27.6 | Very low | 220 Ų | 220 | 146.4 Ų | 146.4 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | 93.1 | 107 | 135.5 | -63.9 | 171 | -171.3 | -156.4 | 2.4 | 122.5 | ||||
| 547 | K | 28.9 | Very low | 27.5 | Very low | 189 Ų | 189 | 144.8 Ų | 144.8 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | 56.8 | 151.6 | 115.5 | -66.5 | -173.5 | 179.4 | -175.8 | 0 | 121.8 | |||||
| 548 | L | 25.9 | Very low | 27.2 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 68% | 0.681 | 77% | 0.767 | S | S | * | * | cis | -178.9 | 140 | -29.9 | -112.3 | -179.6 | 0 | 0 | 0 | 109.7 | ||||
| 549 | H | 25.1 | Very low | 27 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 79% | 0.787 | 77% | 0.774 | S | S | * | * | trans | 61.5 | 171.1 | 168.8 | -63.6 | -62.2 | 0 | 0 | 0 | 117.2 | ||||
| 550 | R | 25.5 | Very low | 27.4 | Very low | 227 Ų | 227 | 145 Ų | 145 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | cis | -154.2 | 165.7 | 21.2 | 174.4 | 173.4 | -77.1 | -128.4 | 1.3 | 112.7 | ||||
| 551 | S | 24.3 | Very low | 27.2 | Very low | 105 Ų | 105 | 143.1 Ų | 143.1 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -133.4 | -176.2 | 174 | -47.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 552 | I | 27.6 | Very low | 27 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 70% | 0.697 | 77% | 0.766 | S | S | * | * | cis | -166.8 | 161.4 | 18 | -155.1 | 175.9 | 0 | 0 | 0 | 112 | ||||
| 553 | N | 27.4 | Very low | 26.9 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | 67.4 | 162.2 | 164 | -61.7 | -24.1 | 0 | 0 | 0 | 117.8 | ||||
| 554 | R | 28 | Very low | 26.7 | Very low | 241 Ų | 241 | 140.6 Ų | 140.6 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | cis | -158 | -160 | 44.4 | -133.6 | 178.6 | -168.9 | -137.4 | -0.7 | 115.6 | ||||
| 555 | T | 25.4 | Very low | 26.5 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | -138.6 | 156.8 | -151 | 51.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 556 | G | 25.8 | Very low | 26.4 | Very low | 68 Ų | 68 | 141.6 Ų | 141.6 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | 107 | 162.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 557 | T | 25.1 | Very low | 26.2 | Very low | 145 Ų | 145 | 137 Ų | 137 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | cis | -171.8 | 153.8 | -14 | 4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 558 | A | 24.9 | Very low | 26 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 72.6 | 118.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 559 | Q | 25.3 | Very low | 26.1 | Very low | 181 Ų | 181 | 132.4 Ų | 132.4 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | 33.5 | 163.8 | 118.8 | -68.7 | -78.9 | -75.4 | 0 | 0 | 123.2 | |||||
| 560 | P | 37.6 | Very low | 26.2 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | cis | -143.5 | 175.1 | -22.4 | 38.6 | -19.1 | 0 | 0 | 0 | 118.2 | ||||
| 561 | G | 24.3 | Very low | 26.2 | Very low | 69 Ų | 69 | 127.5 Ų | 127.5 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 88.2 | 162.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 562 | T | 26.1 | Very low | 26.5 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | cis | -168.9 | 175.6 | -15.5 | 14.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 563 | H | 26.2 | Very low | 26.5 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | trans | 57.7 | 156.3 | 162.4 | 23.1 | -115.9 | 0 | 0 | 0 | 120.2 | ||||
| 564 | T | 24.2 | Very low | 26.6 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | cis | -165.6 | 157.8 | -7.8 | 17.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 565 | C | 22.8 | Very low | 26.7 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | trans | 52.9 | 123.8 | 146.9 | -62.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 566 | S | 25.2 | Very low | 26.8 | Very low | 106 Ų | 106 | 120.7 Ų | 120.7 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | 83.3 | 154.1 | 91.3 | -50.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 567 | T | 25.1 | Very low | 27.1 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | cis | -163.1 | 160 | 21 | -26.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 568 | S | 24.8 | Very low | 27.4 | Very low | 101 Ų | 101 | 120.2 Ų | 120.2 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 32.5 | 147.3 | 146.8 | 62.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 569 | T | 26.8 | Very low | 27.7 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | cis | -158.9 | 146.9 | 48.9 | 43.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 570 | Q | 27.1 | Very low | 28.4 | Very low | 186 Ų | 186 | 122.6 Ų | 122.6 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | 44.3 | 144.6 | 96.7 | -55 | -164.6 | 24.4 | 0 | 0 | 117.2 | |||||
| 571 | S | 27.1 | Very low | 28.4 | Very low | 109 Ų | 109 | 121.4 Ų | 121.4 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | cis | -153.8 | 175.5 | 19.9 | 56.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 572 | K | 29.3 | Very low | 29.5 | Very low | 195 Ų | 195 | 126.6 Ų | 126.6 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -37.7 | 157.9 | 171.9 | -60.7 | 168.4 | -177.9 | 176.8 | 0 | 116.9 | ||||
| 573 | S | 28.3 | Very low | 31.8 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | cis | -156.1 | -131.7 | -7.5 | 37.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 574 | S | 29.2 | Very low | 34.1 | Very low | 105 Ų | 105 | 120.5 Ų | 120.5 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | cis | -180 | 159.1 | -5.6 | 18.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 575 | S | 30.2 | Very low | 36.7 | Very low | 130 Ų | 130 | 121.4 Ų | 121.4 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | cis | -171.3 | 160.7 | -18.3 | -169.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 576 | G | 27.5 | Very low | 39.1 | Very low | 75 Ų | 75 | 120.7 Ų | 120.7 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | 178.1 | 133.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 577 | S | 32.2 | Very low | 41.4 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 88% | 0.881 | 73% | 0.732 | S | S | * | * | trans | -89.1 | 154.3 | -175 | 168.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 578 | A | 32 | Very low | 44.2 | Very low | 77 Ų | 77 | 122.1 Ų | 122.1 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | cis | -174.9 | 155.5 | -24.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 579 | H | 31.3 | Very low | 46.9 | Very low | 191 Ų | 191 | 123.3 Ų | 123.3 | 88% | 0.884 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -162.8 | 134.1 | 146.8 | -108.4 | -77.9 | 0 | 0 | 0 | 110.5 | A581 | H579-A581 PolarHBondContact O-N 3.32Š|
| 580 | C | 39.7 | Very low | 49.5 | Very low | 134 Ų | 134 | 122 Ų | 122 | 91% | 0.905 | 70% | 0.703 | S | S | * | * | trans | 13.9 | 93.1 | 172 | -163.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 581 | A | 37.6 | Very low | 52.2 | Low | 86 Ų | 86 | 117.9 Ų | 117.9 | 71% | 0.711 | 68% | 0.684 | S | S | * | * | trans | -108.2 | 151.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | H579 T583 | H579-A581 PolarHBondContact O-N 3.32Å; A581-T583 PolarHBondContact O-N 3Å | ||
| 582 | F | 47.9 | Very low | 55.1 | Low | 177 Ų | 177 | 118.7 Ų | 118.7 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | trans | -53.2 | 134.2 | 170.8 | -100.2 | -104.7 | 0 | 0 | 0 | 110.7 | Q586 | F582-Q586 HydrophobicContact CD1-CB 3.99Š| ||
| 583 | T | 74.3 | Confident | 57.7 | Low | 70 Ų | 70 | 115.8 Ų | 115.8 | 43% | 0.429 | 67% | 0.665 | S | S | . | * | trans | -75.3 | 150.8 | 176.2 | 62.2 | 0 | 0 | 0 | 0 | 111.2 | A581 E585 Q586 Y587 | A581-T583 PolarHBondContact O-N 3Å; T583-E585 PolarHBondContact O-N 3.35Å; T583-Q586 VanDerWaalsContact N-OE1 3.08Å; T583-Q586 WeakPolarHBondContact O-CB 3.4Å; T583-Q586 PolarHBondContact O-N 2.95Å; T583-Q586 VanDerWaalsContact O-N 3.09Å; T583-Q586 VanDerWaalsContact OG1-CG 3.28Å; T583-Q586 WeakPolarHBondContact OG1-CG 3.37Å; T583-Q586 PolarHBondContact OG1-N 2.97Å; T583-Q586 PolarHBondContact OG1-OE1 3.43Å; T583-Y587 PolarHBondContact O-N 2.84Å | ||
| 584 | A | 73.2 | Confident | 60.2 | Low | 81 Ų | 81 | 114.6 Ų | 114.6 | 67% | 0.669 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -57.9 | -33.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y587 Q588 | A584-Y587 PolarHBondContact O-N 3.01Å; A584-Q588 WeakPolarHBondContact O-CB 3.47Å; A584-Q588 PolarHBondContact O-N 3.4Å |
| 585 | E | 78.7 | Confident | 63 | Low | 141 Ų | 141 | 112.2 Ų | 112.2 | 66% | 0.659 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.2 | -43 | 175.3 | -62.1 | 176.8 | 163.2 | 0 | 0 | 112.1 | T583 Y587 Q588 Q589 | T583-E585 PolarHBondContact O-N 3.35Å; E585-Y587 VanDerWaalsContact C-N 3.35Å; E585-Y587 PolarHBondContact O-N 3.5Å; E585-Q588 PolarHBondContact O-N 3.32Å; E585-Q589 WeakPolarHBondContact O-CB 3.4Å; E585-Q589 VanDerWaalsContact O-CG 3.29Å; E585-Q589 WeakPolarHBondContact O-CG 3.46Å; E585-Q589 PolarHBondContact O-N 2.98Å |
| 586 | Q | 74.6 | Confident | 65.7 | Low | 93 Ų | 93 | 111.5 Ų | 111.5 | 44% | 0.435 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -62.6 | -41.2 | 173.6 | -74.9 | 169.6 | -26.2 | 0 | 0 | 111.7 | F582 T583 H590 | F582-Q586 HydrophobicContact CD1-CB 3.99Å; T583-Q586 VanDerWaalsContact N-OE1 3.08Å; T583-Q586 WeakPolarHBondContact O-CB 3.4Å; T583-Q586 PolarHBondContact O-N 2.95Å; T583-Q586 VanDerWaalsContact O-N 3.09Å; T583-Q586 VanDerWaalsContact OG1-CG 3.28Å; T583-Q586 WeakPolarHBondContact OG1-CG 3.37Å; T583-Q586 PolarHBondContact OG1-N 2.97Å; T583-Q586 PolarHBondContact OG1-OE1 3.43Å; Q586-H590 WeakPolarHBondContact O-CB 3.48Å; Q586-H590 PolarHBondContact O-N 3.14Å |
| 587 | Y | 72.8 | Confident | 68.5 | Low | 139 Ų | 139 | 112.6 Ų | 112.6 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.2 | -41.1 | 175.5 | -177 | -101.1 | 0 | 0 | 0 | 112 | T583 A584 E585 H590 Q591 | T583-Y587 PolarHBondContact O-N 2.84Å; A584-Y587 PolarHBondContact O-N 3.01Å; E585-Y587 VanDerWaalsContact C-N 3.35Å; E585-Y587 PolarHBondContact O-N 3.5Å; Y587-H590 PolarHBondContact O-N 3.41Å; Y587-Q591 HydrophobicContact CD1-CG 4.45Å; Y587-Q591 HydrophobicContact CE1-CG 4.01Å; Y587-Q591 PolarHBondContact O-N 3.22Å; Y587-Q591 PolarHBondContact OH-NE2 3.04Å |
| 588 | Q | 83.3 | Confident | 70.7 | Confident | 120 Ų | 120 | 112.7 Ų | 112.7 | 56% | 0.561 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.4 | -36.3 | 179.6 | -165.3 | 165.7 | 11 | 0 | 0 | 112.5 | A584 E585 Q591 Q592 | A584-Q588 WeakPolarHBondContact O-CB 3.47Å; A584-Q588 PolarHBondContact O-N 3.4Å; E585-Q588 PolarHBondContact O-N 3.32Å; Q588-Q591 PolarHBondContact O-N 2.9Å; Q588-Q592 WeakPolarHBondContact O-CG 3.48Å; Q588-Q592 PolarHBondContact O-N 3.18Å |
| 589 | Q | 82.2 | Confident | 73.3 | Confident | 126 Ų | 126 | 115.3 Ų | 115.3 | 59% | 0.589 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.8 | -42.6 | 168.6 | -75.1 | 175.1 | 0.5 | 0 | 0 | 111.4 | E585 Q592 Q593 | E585-Q589 WeakPolarHBondContact O-CB 3.4Å; E585-Q589 VanDerWaalsContact O-CG 3.29Å; E585-Q589 WeakPolarHBondContact O-CG 3.46Å; E585-Q589 PolarHBondContact O-N 2.98Å; Q589-Q592 PolarHBondContact O-N 3.4Å; Q589-Q593 WeakPolarHBondContact O-CB 3.47Å; Q589-Q593 PolarHBondContact O-N 3.12Å |
| 590 | H | 81 | Confident | 75.8 | Confident | 95 Ų | 95 | 112.2 Ų | 112.2 | 44% | 0.44 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.9 | -41 | 175.9 | -173.8 | 63.1 | 0 | 0 | 0 | 112.2 | Q586 Y587 Q593 L594 | Q586-H590 WeakPolarHBondContact O-CB 3.48Å; Q586-H590 PolarHBondContact O-N 3.14Å; Y587-H590 PolarHBondContact O-N 3.41Å; H590-Q593 PolarHBondContact O-N 3.38Å; H590-L594 WeakPolarHBondContact O-CG 3.47Å; H590-L594 PolarHBondContact O-N 3.02Å |
| 591 | Q | 84 | Confident | 77.4 | Confident | 100 Ų | 100 | 111.3 Ų | 111.3 | 47% | 0.467 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.4 | -41.3 | 172 | -75.5 | -163.1 | -14.5 | 0 | 0 | 112.6 | Y587 Q588 Q593 L594 A595 | Y587-Q591 HydrophobicContact CD1-CG 4.45Å; Y587-Q591 HydrophobicContact CE1-CG 4.01Å; Y587-Q591 PolarHBondContact O-N 3.22Å; Y587-Q591 PolarHBondContact OH-NE2 3.04Å; Q588-Q591 PolarHBondContact O-N 2.9Å; Q591-Q593 VanDerWaalsContact C-N 3.34Å; Q591-L594 PolarHBondContact O-N 3.19Å; Q591-A595 WeakPolarHBondContact O-CB 3.42Å; Q591-A595 PolarHBondContact O-N 2.98Å |
| 592 | Q | 87.7 | Confident | 79.2 | Confident | 126 Ų | 126 | 112.5 Ų | 112.5 | 59% | 0.589 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.9 | -38.2 | 174.3 | -75.3 | -177.8 | -9 | 0 | 0 | 112.3 | Q588 Q589 A595 L596 | Q588-Q592 WeakPolarHBondContact O-CG 3.48Å; Q588-Q592 PolarHBondContact O-N 3.18Å; Q589-Q592 PolarHBondContact O-N 3.4Å; Q592-A595 PolarHBondContact O-N 3.38Å; Q592-L596 PolarHBondContact O-N 3.41Å |
| 593 | Q | 84.1 | Confident | 80.7 | Confident | 133 Ų | 133 | 106.7 Ų | 106.7 | 62% | 0.621 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.9 | -41.7 | 175.8 | -168.5 | 179 | 18 | 0 | 0 | 111.9 | Q589 H590 Q591 L596 M597 | Q589-Q593 WeakPolarHBondContact O-CB 3.47Å; Q589-Q593 PolarHBondContact O-N 3.12Å; H590-Q593 PolarHBondContact O-N 3.38Å; Q591-Q593 VanDerWaalsContact C-N 3.34Å; Q593-L596 PolarHBondContact O-N 3.44Å; Q593-M597 WeakPolarHBondContact O-CB 3.4Å; Q593-M597 PolarHBondContact O-N 3.2Å |
| 594 | L | 79.9 | Confident | 80.7 | Confident | 82 Ų | 82 | 108.6 Ų | 108.6 | 43% | 0.429 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 173.5 | -71.7 | 171 | 0 | 0 | 0 | 112.2 | H590 Q591 M597 Q598 | H590-L594 WeakPolarHBondContact O-CG 3.47Å; H590-L594 PolarHBondContact O-N 3.02Å; Q591-L594 PolarHBondContact O-N 3.19Å; L594-M597 HydrophobicContact CD2-CE 4.15Å; L594-M597 PolarHBondContact O-N 2.69Å; L594-Q598 WeakPolarHBondContact O-CB 3.47Å; L594-Q598 PolarHBondContact O-N 2.95Å |
| 595 | A | 88.6 | Confident | 80.5 | Confident | 55 Ų | 55 | 108.2 Ų | 108.2 | 46% | 0.455 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q591 Q592 Q598 Q599 | Q591-A595 WeakPolarHBondContact O-CB 3.42Å; Q591-A595 PolarHBondContact O-N 2.98Å; Q592-A595 PolarHBondContact O-N 3.38Å; A595-Q598 PolarHBondContact O-N 2.93Å; A595-Q599 WeakPolarHBondContact O-CB 3.25Å; A595-Q599 PolarHBondContact O-N 2.96Å |
| 596 | L | 88.1 | Confident | 79.8 | Confident | 114 Ų | 114 | 108.4 Ų | 108.4 | 60% | 0.597 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.1 | -42.7 | 173.6 | -93.5 | 168.1 | 0 | 0 | 0 | 112.3 | Q592 Q593 Q599 Q600 | Q592-L596 PolarHBondContact O-N 3.41Å; Q593-L596 PolarHBondContact O-N 3.44Å; L596-Q599 PolarHBondContact O-N 3.05Å; L596-Q600 WeakPolarHBondContact O-CB 3.47Å; L596-Q600 PolarHBondContact O-N 3.48Å |
| 597 | M | 85.4 | Confident | 79.2 | Confident | 99 Ų | 99 | 110.9 Ų | 110.9 | 49% | 0.488 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 176.2 | -172.9 | -173 | 73 | 0 | 0 | 111.6 | Q593 L594 Q600 Q601 | Q593-M597 WeakPolarHBondContact O-CB 3.4Å; Q593-M597 PolarHBondContact O-N 3.2Å; L594-M597 HydrophobicContact CD2-CE 4.15Å; L594-M597 PolarHBondContact O-N 2.69Å; M597-Q600 PolarHBondContact O-N 3.46Å; M597-Q601 PolarHBondContact O-N 2.99Å |
| 598 | Q | 78.9 | Confident | 78.4 | Confident | 128 Ų | 128 | 111.3 Ų | 111.3 | 60% | 0.598 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.9 | -42.8 | 175.4 | -177.4 | 174.5 | 88.8 | 0 | 0 | 111.7 | L594 A595 Q600 Q601 L602 | L594-Q598 WeakPolarHBondContact O-CB 3.47Å; L594-Q598 PolarHBondContact O-N 2.95Å; A595-Q598 PolarHBondContact O-N 2.93Å; Q598-Q600 VanDerWaalsContact C-N 3.31Å; Q598-Q600 PolarHBondContact O-N 3.41Å; Q598-Q601 PolarHBondContact O-N 3.06Å; Q598-L602 HydrophobicContact CG-CD1 4.34Å; Q598-L602 WeakPolarHBondContact O-CG 3.5Å; Q598-L602 PolarHBondContact O-N 3.44Å |
| 599 | Q | 87.1 | Confident | 77 | Confident | 131 Ų | 131 | 111.4 Ų | 111.4 | 61% | 0.612 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.6 | -37.7 | 175.6 | -168 | 177 | 18.8 | 0 | 0 | 111.8 | A595 L596 L602 A603 | A595-Q599 WeakPolarHBondContact O-CB 3.25Å; A595-Q599 PolarHBondContact O-N 2.96Å; L596-Q599 PolarHBondContact O-N 3.05Å; Q599-L602 PolarHBondContact O-N 3.3Å; Q599-A603 WeakPolarHBondContact O-CB 3.38Å; Q599-A603 PolarHBondContact O-N 2.68Å |
| 600 | Q | 82.7 | Confident | 75.4 | Confident | 127 Ų | 127 | 108.9 Ų | 108.9 | 59% | 0.593 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.6 | -39.4 | 176.3 | -169.9 | 174.3 | 64.6 | 0 | 0 | 112.5 | L596 M597 Q598 A603 Q604 | L596-Q600 WeakPolarHBondContact O-CB 3.47Å; L596-Q600 PolarHBondContact O-N 3.48Å; M597-Q600 PolarHBondContact O-N 3.46Å; Q598-Q600 VanDerWaalsContact C-N 3.31Å; Q598-Q600 PolarHBondContact O-N 3.41Å; Q600-A603 PolarHBondContact O-N 3.49Å; Q600-Q604 WeakPolarHBondContact O-CG 3.36Å; Q600-Q604 PolarHBondContact O-N 3.32Å |
| 601 | Q | 74.5 | Confident | 73.7 | Confident | 114 Ų | 114 | 112 Ų | 112 | 53% | 0.533 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.7 | -41.2 | 172.3 | -74.6 | -176.6 | -10.5 | 0 | 0 | 112.3 | M597 Q598 Q604 T605 | M597-Q601 PolarHBondContact O-N 2.99Å; Q598-Q601 PolarHBondContact O-N 3.06Å; Q601-Q604 PolarHBondContact O-N 3.31Å; Q601-T605 WeakPolarHBondContact O-CB 3.29Å; Q601-T605 PolarHBondContact O-N 2.7Å; Q601-T605 PolarHBondContact O-OG1 3.3Å |
| 602 | L | 75.3 | Confident | 72.1 | Confident | 112 Ų | 112 | 111.2 Ų | 111.2 | 59% | 0.586 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.5 | -40.4 | 174.8 | -70.5 | 171.3 | 0 | 0 | 0 | 111.6 | Q598 Q599 T605 Q606 | Q598-L602 HydrophobicContact CG-CD1 4.34Å; Q598-L602 WeakPolarHBondContact O-CG 3.5Å; Q598-L602 PolarHBondContact O-N 3.44Å; Q599-L602 PolarHBondContact O-N 3.3Å; L602-T605 PolarHBondContact O-N 3.12Å; L602-Q606 WeakPolarHBondContact O-CB 3.4Å; L602-Q606 PolarHBondContact O-N 2.92Å |
| 603 | A | 78.8 | Confident | 69.6 | Low | 54 Ų | 54 | 111.8 Ų | 111.8 | 45% | 0.446 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.5 | -45 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q599 Q600 T605 Q606 Q607 | Q599-A603 WeakPolarHBondContact O-CB 3.38Å; Q599-A603 PolarHBondContact O-N 2.68Å; Q600-A603 PolarHBondContact O-N 3.49Å; A603-T605 PolarHBondContact O-N 2.79Å; A603-Q606 PolarHBondContact O-N 3.31Å; A603-Q607 WeakPolarHBondContact O-CB 3.34Å; A603-Q607 PolarHBondContact O-N 3.36Å |
| 604 | Q | 73.7 | Confident | 67.2 | Low | 111 Ų | 111 | 110.5 Ų | 110.5 | 52% | 0.519 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.6 | -40.9 | 174.8 | -73.1 | -179.3 | 1.4 | 0 | 0 | 112.2 | Q600 Q601 Q607 Q608 | Q600-Q604 WeakPolarHBondContact O-CG 3.36Å; Q600-Q604 PolarHBondContact O-N 3.32Å; Q601-Q604 PolarHBondContact O-N 3.31Å; Q604-Q607 PolarHBondContact O-N 3.03Å; Q604-Q608 WeakPolarHBondContact O-CG 3.36Å; Q604-Q608 PolarHBondContact O-N 3.32Å |
| 605 | T | 69.5 | Low | 64.9 | Low | 72 Ų | 72 | 111.3 Ų | 111.3 | 44% | 0.442 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.9 | -43.6 | 176.7 | -54 | 0 | 0 | 0 | 0 | 111.2 | Q601 L602 A603 Q608 Q609 | Q601-T605 WeakPolarHBondContact O-CB 3.29Å; Q601-T605 PolarHBondContact O-N 2.7Å; Q601-T605 PolarHBondContact O-OG1 3.3Å; L602-T605 PolarHBondContact O-N 3.12Å; A603-T605 PolarHBondContact O-N 2.79Å; T605-Q608 PolarHBondContact O-N 3.43Å; T605-Q609 PolarHBondContact O-N 3.48Å; T605-Q609 VanDerWaalsContact O-N 3.11Å |
| 606 | Q | 63.9 | Low | 62.2 | Low | 146 Ų | 146 | 115.1 Ų | 115.1 | 68% | 0.682 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68 | -36 | 177.2 | -173.2 | 168.2 | 86.7 | 0 | 0 | 112 | L602 A603 Q609 A610 | L602-Q606 WeakPolarHBondContact O-CB 3.4Å; L602-Q606 PolarHBondContact O-N 2.92Å; A603-Q606 PolarHBondContact O-N 3.31Å; Q606-Q609 PolarHBondContact O-N 2.9Å; Q606-A610 PolarHBondContact O-N 2.88Å |
| 607 | Q | 62.9 | Low | 59.5 | Low | 144 Ų | 144 | 114.9 Ų | 114.9 | 67% | 0.673 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69 | -33.9 | 175.7 | -163.9 | 171.2 | 24.3 | 0 | 0 | 112.3 | A603 Q604 A610 | A603-Q607 WeakPolarHBondContact O-CB 3.34Å; A603-Q607 PolarHBondContact O-N 3.36Å; Q604-Q607 PolarHBondContact O-N 3.03Å; Q607-A610 PolarHBondContact O-N 2.88Å |
| 608 | Q | 55.8 | Low | 56.9 | Low | 149 Ų | 149 | 114.6 Ų | 114.6 | 70% | 0.696 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.7 | -40 | 169.7 | -73.8 | -178.1 | -1.4 | 0 | 0 | 112 | Q604 T605 A610 N611 | Q604-Q608 WeakPolarHBondContact O-CG 3.36Å; Q604-Q608 PolarHBondContact O-N 3.32Å; T605-Q608 PolarHBondContact O-N 3.43Å; Q608-A610 VanDerWaalsContact C-N 3.33Å; Q608-A610 PolarHBondContact O-N 3.34Å; Q608-N611 PolarHBondContact O-N 3.33Å |
| 609 | Q | 52 | Low | 55.2 | Low | 121 Ų | 121 | 114 Ų | 114 | 57% | 0.565 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70.5 | -25.1 | 175.9 | -70.9 | -179.8 | -13 | 0 | 0 | 113.9 | T605 Q606 N611 N613 | T605-Q609 PolarHBondContact O-N 3.48Å; T605-Q609 VanDerWaalsContact O-N 3.11Å; Q606-Q609 PolarHBondContact O-N 2.9Å; Q609-N611 VanDerWaalsContact C-N 3.34Å; Q609-N613 PolarHBondContact O-ND2 3.42Å; Q609-N613 VanDerWaalsContact O-ND2 3.09Å |
| 610 | A | 48.6 | Very low | 52.7 | Low | 74 Ų | 74 | 117.2 Ų | 117.2 | 61% | 0.612 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -68.9 | -31 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q606 Q607 Q608 S612 | Q606-A610 PolarHBondContact O-N 2.88Å; Q607-A610 PolarHBondContact O-N 2.88Å; Q608-A610 VanDerWaalsContact C-N 3.33Å; Q608-A610 PolarHBondContact O-N 3.34Å; A610-S612 VanDerWaalsContact C-N 3.28Å; A610-S612 PolarHBondContact O-N 2.9Å |
| 611 | N | 46.9 | Very low | 50.1 | Low | 159 Ų | 159 | 114.2 Ų | 114.2 | 85% | 0.85 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -0.8 | -180 | -103.8 | 23.5 | 0 | 0 | 0 | 114.4 | Q608 Q609 | Q608-N611 PolarHBondContact O-N 3.33Å; Q609-N611 VanDerWaalsContact C-N 3.34Å |
| 612 | S | 50.1 | Low | 48 | Very low | 84 Ų | 84 | 119 Ų | 119 | 59% | 0.587 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -137.8 | 65.2 | -175.6 | 66.4 | 0 | 0 | 0 | 0 | 112.4 | A610 | A610-S612 VanDerWaalsContact C-N 3.28Å; A610-S612 PolarHBondContact O-N 2.9Å |
| 613 | N | 35.2 | Very low | 45.9 | Very low | 139 Ų | 139 | 120.3 Ų | 120.3 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | trans | -140.5 | 103.5 | 174.7 | -99 | -65.9 | 0 | 0 | 0 | 113.3 | Q609 | Q609-N613 PolarHBondContact O-ND2 3.42Å; Q609-N613 VanDerWaalsContact O-ND2 3.09Å | ||
| 614 | S | 32.6 | Very low | 43.9 | Very low | 105 Ų | 105 | 123.4 Ų | 123.4 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | trans | -122.6 | 136.3 | 153.8 | 57.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 615 | S | 32.1 | Very low | 42.3 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 65.7 | 109 | 176.6 | 46.4 | 0 | 0 | 0 | 0 | 119.7 | ||
| 616 | T | 32.4 | Very low | 41 | Very low | 135 Ų | 135 | 131 Ų | 131 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | trans | 70.9 | 93.9 | 134 | 56.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 617 | A | 30.5 | Very low | 39.9 | Very low | 108 Ų | 108 | 131 Ų | 131 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | 53.3 | 134.5 | 121.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 618 | A | 30.6 | Very low | 39.5 | Very low | 93 Ų | 93 | 128.3 Ų | 128.3 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -111.3 | -173.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 619 | P | 44.8 | Very low | 39.1 | Very low | 115 Ų | 115 | 125.6 Ų | 125.6 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | -154.9 | 150.9 | 74.2 | 41.1 | -20.8 | 0 | 0 | 0 | 119.3 | |||||
| 620 | Q | 32.8 | Very low | 38.8 | Very low | 199 Ų | 199 | 122.4 Ų | 122.4 | 93% | 0.93 | 75% | 0.749 | S | S | * | * | trans | 64.1 | 156.2 | 159 | -49.6 | -137.5 | 1.5 | 0 | 0 | 118.7 | ||||
| 621 | G | 28.9 | Very low | 38.8 | Very low | 64 Ų | 64 | 121.5 Ų | 121.5 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | cis | -158.7 | -174.1 | 3.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 622 | F | 29.9 | Very low | 39 | Very low | 214 Ų | 214 | 116.6 Ų | 116.6 | 94% | 0.939 | 72% | 0.72 | S | S | * | * | trans | -78 | 139.8 | -167.2 | -81.3 | -107.1 | 0 | 0 | 0 | 115.9 | ||||
| 623 | V | 31.1 | Very low | 38.8 | Very low | 140 Ų | 140 | 119.4 Ų | 119.4 | 85% | 0.848 | 72% | 0.723 | S | S | * | * | trans | -140.7 | 146.5 | 154.8 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 624 | S | 37.8 | Very low | 39.5 | Very low | 119 Ų | 119 | 120.6 Ų | 120.6 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | trans | -60 | 140.5 | -175.2 | -51.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 625 | K | 38.9 | Very low | 40.1 | Very low | 210 Ų | 210 | 118.5 Ų | 118.5 | 91% | 0.913 | 71% | 0.711 | S | S | * | * | trans | -89.3 | 115.4 | 169 | -70 | -173.3 | 178 | -177.1 | 0 | 111.1 | ||||
| 626 | T | 42.7 | Very low | 40.6 | Very low | 132 Ų | 132 | 117 Ų | 117 | 81% | 0.81 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -66 | 156.8 | 152.8 | 48.8 | 0 | 0 | 0 | 0 | 109.8 | ||
| 627 | L | 42 | Very low | 41.3 | Very low | 147 Ų | 147 | 114.1 Ų | 114.1 | 77% | 0.77 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -54 | 140.4 | 169.2 | -80.1 | 163 | 0 | 0 | 0 | 110.5 | ||
| 628 | D | 53.7 | Low | 42 | Very low | 88 Ų | 88 | 112.7 Ų | 112.7 | 47% | 0.471 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -83.6 | 161.6 | 174.9 | 72.5 | -20.8 | 0 | 0 | 0 | 111.4 | A630 S631 A632 | D628-A630 PolarHBondContact O-N 3.39Å; D628-S631 PolarHBondContact O-N 3.26Å; D628-S631 WeakPolarHBondContact OD1-CB 3.39Å; D628-S631 PolarHBondContact OD1-N 2.99Å; D628-S631 PolarHBondContact OD1-OG 3.11Å; D628-A632 PolarHBondContact O-N 3.48Å; D628-A632 VanDerWaalsContact O-N 3.1Å |
| 629 | S | 47.4 | Very low | 42.4 | Very low | 91 Ų | 91 | 115.3 Ų | 115.3 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -66.9 | -21.7 | -178.3 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | Q633 | S629-Q633 WeakPolarHBondContact O-CB 3.37Å; S629-Q633 VanDerWaalsContact O-CG 3.25Å; S629-Q633 WeakPolarHBondContact O-CG 3.37Å; S629-Q633 PolarHBondContact O-N 3.38Å |
| 630 | A | 46.7 | Very low | 42.1 | Very low | 55 Ų | 55 | 116.7 Ų | 116.7 | 46% | 0.455 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -69.4 | -49 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D628 A632 Q633 F634 | D628-A630 PolarHBondContact O-N 3.39Å; A630-A632 VanDerWaalsContact C-N 3.29Å; A630-A632 PolarHBondContact O-N 3.4Å; A630-Q633 PolarHBondContact O-N 2.95Å; A630-F634 PolarHBondContact O-N 3.43Å |
| 631 | S | 48.1 | Very low | 42.5 | Very low | 55 Ų | 55 | 112.3 Ų | 112.3 | 39% | 0.385 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -62.8 | -37.4 | 175.2 | -56.1 | 0 | 0 | 0 | 0 | 112 | D628 F634 A635 | D628-S631 PolarHBondContact O-N 3.26Å; D628-S631 WeakPolarHBondContact OD1-CB 3.39Å; D628-S631 PolarHBondContact OD1-N 2.99Å; D628-S631 PolarHBondContact OD1-OG 3.11Å; S631-F634 PolarHBondContact O-N 2.94Å; S631-A635 WeakPolarHBondContact O-CB 3.34Å; S631-A635 PolarHBondContact O-N 2.96Å |
| 632 | A | 51.4 | Low | 43.1 | Very low | 56 Ų | 56 | 114.2 Ų | 114.2 | 46% | 0.463 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -65.3 | -36.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | D628 A630 A636 | D628-A632 PolarHBondContact O-N 3.48Å; D628-A632 VanDerWaalsContact O-N 3.1Å; A630-A632 VanDerWaalsContact C-N 3.29Å; A630-A632 PolarHBondContact O-N 3.4Å; A632-A636 WeakPolarHBondContact O-CB 3.41Å; A632-A636 PolarHBondContact O-N 3.32Å; A632-A636 VanDerWaalsContact O-N 3.12Å |
| 633 | Q | 45.7 | Very low | 43.6 | Very low | 143 Ų | 143 | 112 Ų | 112 | 67% | 0.668 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.3 | -39.9 | 174.2 | -77.1 | 175.2 | 4.5 | 0 | 0 | 112.1 | S629 A630 A635 A636 S637 | S629-Q633 WeakPolarHBondContact O-CB 3.37Å; S629-Q633 VanDerWaalsContact O-CG 3.25Å; S629-Q633 WeakPolarHBondContact O-CG 3.37Å; S629-Q633 PolarHBondContact O-N 3.38Å; A630-Q633 PolarHBondContact O-N 2.95Å; Q633-A635 PolarHBondContact O-N 3.1Å; Q633-A636 PolarHBondContact O-N 3.1Å; Q633-A636 VanDerWaalsContact O-N 3.14Å; Q633-S637 PolarHBondContact O-N 3.38Å; Q633-S637 PolarHBondContact O-OG 2.7Å; Q633-S637 VanDerWaalsContact O-OG 3.11Å |
| 634 | F | 50.2 | Low | 44 | Very low | 163 Ų | 163 | 111.4 Ų | 111.4 | 72% | 0.715 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -59.1 | -46.9 | 174.8 | -175.5 | -105.3 | 0 | 0 | 0 | 111.8 | A630 S631 A636 S637 A638 | A630-F634 PolarHBondContact O-N 3.43Å; S631-F634 PolarHBondContact O-N 2.94Å; F634-A636 VanDerWaalsContact C-N 3.3Å; F634-A636 PolarHBondContact O-N 2.95Å; F634-S637 WeakPolarHBondContact CA-OG 3.44Å; F634-S637 PolarHBondContact O-N 2.75Å; F634-S637 PolarHBondContact O-OG 2.59Å; F634-A638 PolarHBondContact O-N 3.26Å |
| 635 | A | 43.3 | Very low | 44.2 | Very low | 62 Ų | 62 | 113 Ų | 113 | 51% | 0.512 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -63.7 | -32 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S631 Q633 | S631-A635 WeakPolarHBondContact O-CB 3.34Å; S631-A635 PolarHBondContact O-N 2.96Å; Q633-A635 PolarHBondContact O-N 3.1Å |
| 636 | A | 43.2 | Very low | 44.1 | Very low | 67 Ų | 67 | 111.3 Ų | 111.3 | 55% | 0.554 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -75.3 | -28.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A632 Q633 F634 | A632-A636 WeakPolarHBondContact O-CB 3.41Å; A632-A636 PolarHBondContact O-N 3.32Å; A632-A636 VanDerWaalsContact O-N 3.12Å; Q633-A636 PolarHBondContact O-N 3.1Å; Q633-A636 VanDerWaalsContact O-N 3.14Å; F634-A636 VanDerWaalsContact C-N 3.3Å; F634-A636 PolarHBondContact O-N 2.95Å |
| 637 | S | 46.5 | Very low | 43.9 | Very low | 75 Ų | 75 | 108 Ų | 108 | 52% | 0.524 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -73.5 | -26.7 | 174.3 | 39.5 | 0 | 0 | 0 | 0 | 113.7 | Q633 F634 L639 | Q633-S637 PolarHBondContact O-N 3.38Å; Q633-S637 PolarHBondContact O-OG 2.7Å; Q633-S637 VanDerWaalsContact O-OG 3.11Å; F634-S637 WeakPolarHBondContact CA-OG 3.44Å; F634-S637 PolarHBondContact O-N 2.75Å; F634-S637 PolarHBondContact O-OG 2.59Å; S637-L639 PolarHBondContact O-N 3.14Å |
| 638 | A | 45.5 | Very low | 43.3 | Very low | 78 Ų | 78 | 108.9 Ų | 108.9 | 65% | 0.645 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 17.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | F634 | F634-A638 PolarHBondContact O-N 3.26Š|
| 639 | L | 39.1 | Very low | 42.2 | Very low | 149 Ų | 149 | 113 Ų | 113 | 78% | 0.78 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.9 | 17.8 | -179.7 | -74.2 | 174.3 | 0 | 0 | 0 | 113.6 | S637 | S637-L639 PolarHBondContact O-N 3.14Š|
| 640 | M | 37.9 | Very low | 41.2 | Very low | 144 Ų | 144 | 117.5 Ų | 117.5 | 71% | 0.709 | 66% | 0.66 | S | S | * | * | trans | -92.1 | 111.7 | 171.7 | -76.9 | -71.9 | 164.6 | 0 | 0 | 110.7 | ||||
| 641 | T | 42.5 | Very low | 40.3 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 65% | 0.65 | 67% | 0.673 | S | S | * | * | trans | -84.3 | 151 | 171.4 | 51.2 | 0 | 0 | 0 | 0 | 111.5 | E643 | T641-E643 PolarHBondContact O-N 3.41Å; T641-E643 VanDerWaalsContact O-N 3.08Å | ||
| 642 | S | 42.1 | Very low | 39.4 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -61.3 | -18.7 | -172 | 48.5 | 0 | 0 | 0 | 0 | 115.5 | Q644 L645 | S642-Q644 VanDerWaalsContact C-N 3.35Å; S642-Q644 PolarHBondContact O-N 3.41Å; S642-L645 WeakPolarHBondContact O-CB 3.12Å; S642-L645 PolarHBondContact O-N 2.98Å; S642-L645 VanDerWaalsContact O-N 3.15Å |
| 643 | E | 39.6 | Very low | 38.2 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -61.6 | -35.8 | -177.2 | -168.7 | 170.8 | -162.8 | 0 | 0 | 113.5 | T641 L645 M646 | T641-E643 PolarHBondContact O-N 3.41Å; T641-E643 VanDerWaalsContact O-N 3.08Å; E643-L645 PolarHBondContact O-N 3.45Å; E643-M646 PolarHBondContact O-N 3.09Å |
| 644 | Q | 40.4 | Very low | 37.4 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 59% | 0.593 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -72.5 | -5.4 | 179 | -73.9 | -163.9 | -17.3 | 0 | 0 | 114.2 | E216 S642 | E216-Q644 PolarHBondContact OE1-NE2 2.89Å; S642-Q644 VanDerWaalsContact C-N 3.35Å; S642-Q644 PolarHBondContact O-N 3.41Å |
| 645 | L | 40.5 | Very low | 36.2 | Very low | 153 Ų | 153 | 126.7 Ų | 126.7 | 80% | 0.801 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -85.3 | -25.4 | 178.3 | -160.1 | 65.6 | 0 | 0 | 0 | 113.3 | S642 E643 G647 | S642-L645 WeakPolarHBondContact O-CB 3.12Å; S642-L645 PolarHBondContact O-N 2.98Å; S642-L645 VanDerWaalsContact O-N 3.15Å; E643-L645 PolarHBondContact O-N 3.45Å; L645-G647 VanDerWaalsContact C-N 3.27Å; L645-G647 PolarHBondContact O-N 3.47Å |
| 646 | M | 37.9 | Very low | 35.6 | Very low | 174 Ų | 174 | 130.2 Ų | 130.2 | 86% | 0.857 | 71% | 0.712 | S | S | * | * | trans | -87.7 | 18.7 | -173.8 | -68.7 | -67.3 | -83.7 | 0 | 0 | 114.4 | E643 F648 | E643-M646 PolarHBondContact O-N 3.09Å; M646-F648 PolarHBondContact O-N 2.67Å | ||
| 647 | G | 37.4 | Very low | 34.8 | Very low | 61 Ų | 61 | 130.1 Ų | 130.1 | 63% | 0.629 | 72% | 0.717 | S | S | * | * | trans | -82.1 | 0.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | L645 | L645-G647 VanDerWaalsContact C-N 3.27Å; L645-G647 PolarHBondContact O-N 3.47Å | ||
| 648 | F | 30 | Very low | 33.9 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 73% | 0.732 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -136.9 | 106 | 176.7 | -86.3 | -81.7 | 0 | 0 | 0 | 112.1 | M646 M650 | M646-F648 PolarHBondContact O-N 2.67Å; F648-M650 PolarHBondContact O-N 3.04Å |
| 649 | K | 29.8 | Very low | 33 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | trans | -53.5 | 129.9 | 169.7 | -97.8 | -154.3 | 172.4 | -154 | 0 | 111.4 | D652 | K649-D652 IonicContact NZ-OD1 3.87Š| ||
| 650 | M | 26.9 | Very low | 32.4 | Very low | 187 Ų | 187 | 133 Ų | 133 | 92% | 0.921 | 74% | 0.735 | S | S | * | * | -77.8 | 146.8 | 126.1 | -70.5 | -171.5 | 171.9 | 0 | 0 | 108.1 | F648 | F648-M650 PolarHBondContact O-N 3.04Š| |||
| 651 | K | 29.1 | Very low | 31.8 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | trans | -105.7 | 126.7 | 175.7 | 178.4 | -170.2 | 170.1 | -164.7 | 0 | 107 | ||||
| 652 | D | 29 | Very low | 31 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 56% | 0.561 | 75% | 0.748 | S | S | * | * | trans | 39.2 | 134.1 | 153.9 | -39.5 | -12.8 | 0 | 0 | 0 | 118.5 | K649 | K649-D652 IonicContact NZ-OD1 3.87Š| ||
| 653 | D | 25.5 | Very low | 30.2 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | -134.5 | 129.4 | 119.3 | -151.3 | -16.9 | 0 | 0 | 0 | 109.9 | |||||
| 654 | V | 28.1 | Very low | 29.6 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | trans | -141.5 | 103.6 | 176.4 | 170.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 655 | V | 25.6 | Very low | 29.4 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | -77 | 139.9 | 177.6 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 656 | L | 31 | Very low | 28.8 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | trans | -92.4 | 171.8 | -167.3 | -77.4 | 154.7 | 0 | 0 | 0 | 114.3 | ||||
| 657 | G | 26 | Very low | 28.3 | Very low | 64 Ų | 64 | 127.8 Ų | 127.8 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | trans | 125.4 | 115.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 658 | I | 27.4 | Very low | 27.7 | Very low | 164 Ų | 164 | 127.7 Ų | 127.7 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | cis | 59.6 | 105.8 | 18.4 | -43 | 177.1 | 0 | 0 | 0 | 111.8 | ||||
| 659 | G | 26.3 | Very low | 27.6 | Very low | 66 Ų | 66 | 125.7 Ų | 125.7 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | cis | 173.5 | -142.6 | -1.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 660 | V | 26.7 | Very low | 27.4 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | 87 | 112.9 | 164.4 | -172.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 661 | N | 26.8 | Very low | 27.5 | Very low | 157 Ų | 157 | 128.4 Ų | 128.4 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | trans | 38.6 | 117.4 | 148 | -58.6 | -24.4 | 0 | 0 | 0 | 122.5 | ||||
| 662 | G | 25.5 | Very low | 27.3 | Very low | 77 Ų | 77 | 124.3 Ų | 124.3 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | -152 | 137.4 | 152.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 663 | V | 25.4 | Very low | 27.2 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -138.6 | 125.5 | -170.6 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 664 | L | 25.5 | Very low | 27.3 | Very low | 159 Ų | 159 | 126.4 Ų | 126.4 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | 63.3 | 167.7 | 170 | -70.6 | 169 | 0 | 0 | 0 | 116 | ||||
| 665 | P | 37.3 | Very low | 27.2 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | cis | -119.8 | -170.3 | -4.7 | 35.2 | -16.8 | 0 | 0 | 0 | 114 | ||||
| 666 | A | 27.4 | Very low | 27.1 | Very low | 94 Ų | 94 | 126.3 Ų | 126.3 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | -96.1 | -171.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 667 | S | 28.2 | Very low | 26.8 | Very low | 132 Ų | 132 | 124.5 Ų | 124.5 | 92% | 0.923 | 77% | 0.772 | S | S | * | * | trans | 83.9 | 140.7 | -178 | -153.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 668 | G | 24.5 | Very low | 26.8 | Very low | 60 Ų | 60 | 126.9 Ų | 126.9 | 62% | 0.619 | 77% | 0.774 | S | S | * | * | cis | 172.4 | 162.6 | -7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 669 | V | 27.1 | Very low | 26.7 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | 16.9 | 118.2 | 160.7 | -173 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 670 | Y | 26.3 | Very low | 27 | Very low | 236 Ų | 236 | 127.2 Ų | 127.2 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | trans | -130.1 | 132.9 | 136.3 | -101.3 | -85 | 0 | 0 | 0 | 110.6 | ||||
| 671 | K | 28.5 | Very low | 27 | Very low | 181 Ų | 181 | 126 Ų | 126 | 79% | 0.787 | 77% | 0.766 | S | S | * | * | trans | -97.3 | 138.4 | 169.8 | -72.1 | -176.3 | 176.3 | -177.9 | 0 | 109.2 | ||||
| 672 | G | 25.9 | Very low | 27 | Very low | 79 Ų | 79 | 122.9 Ų | 122.9 | 81% | 0.814 | 76% | 0.763 | S | S | * | * | trans | -119.2 | 120.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 673 | L | 25.7 | Very low | 26.9 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | -90.2 | 176 | 166.4 | -67.9 | 128.8 | 0 | 0 | 0 | 108 | ||||
| 674 | H | 27.7 | Very low | 26.9 | Very low | 147 Ų | 147 | 125.6 Ų | 125.6 | 68% | 0.681 | 76% | 0.758 | S | S | * | * | cis | -169.8 | 165.3 | 29.6 | -148.2 | -64.8 | 0 | 0 | 0 | 112 | ||||
| 675 | L | 26.3 | Very low | 26.9 | Very low | 146 Ų | 146 | 125.6 Ų | 125.6 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | 68.7 | 132.5 | 164.5 | -77.8 | 130.5 | 0 | 0 | 0 | 116.2 | ||||
| 676 | S | 24.3 | Very low | 26.3 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | cis | -140.8 | -166 | 8 | -53.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 677 | S | 24.2 | Very low | 26.1 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | cis | -158.8 | 173.3 | 6.6 | -156.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 678 | T | 25.2 | Very low | 26.8 | Very low | 114 Ų | 114 | 126.2 Ų | 126.2 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | 14 | 101.9 | 153.7 | 46.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 679 | T | 25.3 | Very low | 26.9 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | 18 | 153.4 | 107.5 | 55.9 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 680 | P | 34.3 | Very low | 26.9 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | cis | -121.7 | 167.4 | 25.6 | 39.5 | -26.9 | 0 | 0 | 0 | 115.9 | ||||
| 681 | T | 26.6 | Very low | 27 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | cis | 112.2 | 98.4 | 7.9 | -58 | 0 | 0 | 0 | 0 | 115.8 | L683 | T681-L683 HydrophobicContact CG2-CD1 4.29Š| ||
| 682 | A | 25.1 | Very low | 26.9 | Very low | 93 Ų | 93 | 117.2 Ų | 117.2 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | trans | -159.1 | 131.3 | 143 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 683 | L | 23.9 | Very low | 26.9 | Very low | 138 Ų | 138 | 119 Ų | 119 | 72% | 0.723 | 75% | 0.748 | S | S | * | * | cis | 67.6 | 126.7 | 44.5 | -59.2 | 172.7 | 0 | 0 | 0 | 111.2 | T681 | T681-L683 HydrophobicContact CG2-CD1 4.29Š| ||
| 684 | V | 25.5 | Very low | 26.9 | Very low | 122 Ų | 122 | 117.3 Ų | 117.3 | 74% | 0.739 | 74% | 0.744 | S | S | * | * | cis | -144.8 | 156.8 | 30.5 | 161.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 685 | H | 25.3 | Very low | 26.8 | Very low | 160 Ų | 160 | 117.4 Ų | 117.4 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | trans | -12.8 | 164.4 | 152.9 | -51.3 | -119.7 | 0 | 0 | 0 | 119.2 | ||||
| 686 | T | 25.2 | Very low | 26.9 | Very low | 132 Ų | 132 | 117.9 Ų | 117.9 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | cis | -158.1 | 163.4 | 42.7 | 52.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 687 | S | 23.3 | Very low | 27 | Very low | 110 Ų | 110 | 121.2 Ų | 121.2 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | -83.2 | -164.4 | 163.4 | -38.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 688 | P | 42.7 | Very low | 27.7 | Very low | 118 Ų | 118 | 121 Ų | 121 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | cis | -144.8 | -152.5 | 5.1 | 45.7 | -24 | 0 | 0 | 0 | 116.5 | ||||
| 689 | S | 27.3 | Very low | 27.7 | Very low | 103 Ų | 103 | 120.6 Ų | 120.6 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | 94.5 | 118.3 | 167.1 | 70.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 690 | T | 26.4 | Very low | 27.7 | Very low | 142 Ų | 142 | 121.9 Ų | 121.9 | 87% | 0.871 | 76% | 0.756 | S | S | * | * | 63.3 | 135.4 | 69 | 43 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 691 | A | 28.6 | Very low | 27.3 | Very low | 101 Ų | 101 | 122.1 Ų | 122.1 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | cis | -156.5 | 176.3 | -1.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 692 | G | 26 | Very low | 27.3 | Very low | 66 Ų | 66 | 122 Ų | 122 | 68% | 0.68 | 75% | 0.748 | S | S | * | * | cis | 163.3 | 167.7 | -3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 693 | S | 25.8 | Very low | 27.4 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | trans | 67.9 | 151.7 | 172 | -73.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 694 | T | 26.4 | Very low | 27.4 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | cis | -160.4 | 146.9 | -2.2 | 10.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 695 | L | 26 | Very low | 27.4 | Very low | 148 Ų | 148 | 123.1 Ų | 123.1 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | trans | 55 | 147.6 | 152.2 | -81.7 | 70.3 | 0 | 0 | 0 | 119 | ||||
| 696 | L | 26.8 | Very low | 27.4 | Very low | 156 Ų | 156 | 118.9 Ų | 118.9 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | cis | -146.1 | 164.2 | -0.3 | -115.3 | 176 | 0 | 0 | 0 | 110.8 | ||||
| 697 | Q | 26.8 | Very low | 27.5 | Very low | 173 Ų | 173 | 116.2 Ų | 116.2 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | trans | -96.9 | -176.6 | 174.9 | -117.7 | -174.9 | 7.7 | 0 | 0 | 110.8 | ||||
| 698 | P | 38.5 | Very low | 27.7 | Very low | 94 Ų | 94 | 119.7 Ų | 119.7 | 61% | 0.61 | 73% | 0.734 | S | S | * | * | cis | -138.9 | -168.5 | -15.7 | 36.7 | -16.4 | 0 | 0 | 0 | 114.6 | ||||
| 699 | S | 25.9 | Very low | 27.1 | Very low | 106 Ų | 106 | 119.8 Ų | 119.8 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | trans | 75.5 | 145.6 | 143.9 | -75.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 700 | N | 25 | Very low | 27.1 | Very low | 139 Ų | 139 | 117.7 Ų | 117.7 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | cis | -169.6 | 173.7 | -18.3 | -152 | -11.6 | 0 | 0 | 0 | 111.2 | ||||
| 701 | I | 26.7 | Very low | 27.2 | Very low | 130 Ų | 130 | 118.8 Ų | 118.8 | 67% | 0.667 | 73% | 0.726 | S | S | * | * | trans | 76.9 | 102.3 | 155.6 | -61.6 | 161.6 | 0 | 0 | 0 | 120.3 | ||||
| 702 | T | 26.2 | Very low | 27.3 | Very low | 103 Ų | 103 | 115.4 Ų | 115.4 | 63% | 0.632 | 70% | 0.696 | S | S | * | * | 35.9 | 117.6 | 120.6 | -37.3 | 0 | 0 | 0 | 0 | 123.1 | T704 | T702-T704 HydrophobicContact CG2-CG2 3.85Š| |||
| 703 | Q | 27.5 | Very low | 27.4 | Very low | 182 Ų | 182 | 116.9 Ų | 116.9 | 85% | 0.85 | 69% | 0.685 | S | S | * | * | trans | -168.8 | 134.8 | 135.5 | -100.4 | 145.4 | 98.6 | 0 | 0 | 107.8 | ||||
| 704 | T | 24.4 | Very low | 27.6 | Very low | 101 Ų | 101 | 117.8 Ų | 117.8 | 62% | 0.62 | 68% | 0.676 | S | S | * | * | cis | 90.7 | 90.4 | 16.3 | 77.1 | 0 | 0 | 0 | 0 | 118.3 | T702 | T702-T704 HydrophobicContact CG2-CG2 3.85Š| ||
| 705 | S | 25.6 | Very low | 27.6 | Very low | 93 Ų | 93 | 117.6 Ų | 117.6 | 65% | 0.65 | 68% | 0.675 | S | S | * | * | trans | 71.1 | 157.6 | 164.2 | -24 | 0 | 0 | 0 | 0 | 115.5 | K98 | K98-S705 PolarHBondContact NZ-OG 2.6Š| ||
| 706 | G | 25.2 | Very low | 27.6 | Very low | 72 Ų | 72 | 117.6 Ų | 117.6 | 74% | 0.742 | 68% | 0.681 | S | S | * | * | cis | 170.6 | 153.9 | -5.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 707 | S | 25.9 | Very low | 27.5 | Very low | 76 Ų | 76 | 114.5 Ų | 114.5 | 53% | 0.531 | 68% | 0.678 | S | S | . | * | trans | -60.2 | 147.7 | 178.6 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 708 | H | 28.4 | Very low | 27.4 | Very low | 183 Ų | 183 | 111.1 Ų | 111.1 | 85% | 0.847 | 68% | 0.679 | S | S | * | * | 37.1 | 138.6 | 85.8 | -39.7 | -77.7 | 0 | 0 | 0 | 113.8 | |||||
| 709 | S | 30.6 | Very low | 26.8 | Very low | 120 Ų | 120 | 114.2 Ų | 114.2 | 84% | 0.839 | 69% | 0.691 | S | S | * | * | cis | -142.6 | -179.1 | 16.9 | 54 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 710 | A | 26.2 | Very low | 26.9 | Very low | 59 Ų | 59 | 114.7 Ų | 114.7 | 49% | 0.488 | 69% | 0.694 | S | S | . | * | trans | -115.7 | 160.4 | 166 | 0 | 0 | 0 | 0 | 0 | 109 | E255 | E255-A710 HydrophobicContact CG-CB 4.23Š| ||
| 711 | L | 29.6 | Very low | 27 | Very low | 165 Ų | 165 | 112.9 Ų | 112.9 | 86% | 0.864 | 70% | 0.699 | S | S | * | * | trans | -164.5 | 176.7 | 144.9 | -108.2 | 165.1 | 0 | 0 | 0 | 111.4 | ||||
| 712 | S | 29.4 | Very low | 27.1 | Very low | 30 Ų | 30 | 113.2 Ų | 113.2 | 21% | 0.21 | 71% | 0.707 | C | S | . | * | trans | -159.1 | 129.6 | -159.7 | 59.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 713 | H | 29.3 | Very low | 27.2 | Very low | 97 Ų | 97 | 114.5 Ų | 114.5 | 45% | 0.449 | 72% | 0.715 | S | S | . | * | trans | 61.4 | 154.6 | 146.9 | -74.3 | -20.7 | 0 | 0 | 0 | 119.6 | V245 L248 | V245-H713 WeakPolarHBondContact CA-NE2 3.36Å; L248-H713 VanDerWaalsContact CB-NE2 3.29Å; L248-H713 WeakPolarHBondContact CB-NE2 3.45Å; L248-H713 WeakPolarHBondContact CD1-CE1 3.21Å; L248-H713 VanDerWaalsContact CD1-NE2 3.35Å; L248-H713 WeakPolarHBondContact CD1-NE2 3.46Å | ||
| 714 | Q | 29.8 | Very low | 27.2 | Very low | 137 Ų | 137 | 114.4 Ų | 114.4 | 64% | 0.64 | 71% | 0.714 | S | S | * | * | cis | -150.2 | 170.7 | 6.1 | -137.5 | 172.2 | -71.7 | 0 | 0 | 111.5 | V245 | V245-Q714 HydrophobicContact CG2-CG 4.13Š| ||
| 715 | V | 26.3 | Very low | 27.4 | Very low | 106 Ų | 106 | 114.3 Ų | 114.3 | 64% | 0.642 | 71% | 0.713 | S | S | * | * | trans | -107.9 | 147.3 | -170.3 | 174.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 716 | T | 25.7 | Very low | 27.4 | Very low | 147 Ų | 147 | 118.1 Ų | 118.1 | 90% | 0.902 | 73% | 0.725 | S | S | * | * | trans | -135 | 156.1 | 147.7 | -58.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 717 | A | 24.6 | Very low | 27.5 | Very low | 91 Ų | 91 | 123 Ų | 123 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | trans | -101.5 | 148 | -150.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 718 | A | 25.2 | Very low | 27.6 | Very low | 102 Ų | 102 | 122.8 Ų | 122.8 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | -142.6 | 156.2 | 154.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 719 | N | 26 | Very low | 27.6 | Very low | 160 Ų | 160 | 120.3 Ų | 120.3 | 86% | 0.856 | 73% | 0.729 | S | S | * | * | trans | -102.7 | 135.6 | -173.2 | -57.9 | -68.4 | 0 | 0 | 0 | 112.8 | ||||
| 720 | S | 26.7 | Very low | 27.4 | Very low | 116 Ų | 116 | 122.3 Ų | 122.3 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | trans | -159.8 | 164.9 | 151.7 | -85.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 721 | A | 27.7 | Very low | 27.6 | Very low | 101 Ų | 101 | 126 Ų | 126 | 84% | 0.835 | 74% | 0.741 | S | S | * | * | trans | -91.4 | 155 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 722 | T | 28.2 | Very low | 27.4 | Very low | 137 Ų | 137 | 126.4 Ų | 126.4 | 84% | 0.84 | 73% | 0.731 | S | S | * | * | trans | -85.6 | 129 | 177 | 49.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 723 | T | 29.5 | Very low | 27.3 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | -104.6 | 131.4 | 162.1 | -54.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 724 | Q | 27.1 | Very low | 27.2 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | trans | -81.4 | 132.8 | 175.1 | -70.7 | -90.1 | 4.3 | 0 | 0 | 110 | ||||
| 725 | V | 27.6 | Very low | 27.1 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 60% | 0.6 | 78% | 0.783 | S | S | * | * | trans | -131.2 | 123.4 | 169.7 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | F727 | V725-F727 HydrophobicContact CB-CE2 4.27Å; V725-F727 HydrophobicContact CG1-CD2 4.42Å; V725-F727 HydrophobicContact CG1-CE2 3.96Å; V725-F727 HydrophobicContact CG1-CZ 4.19Å | ||
| 726 | L | 26.8 | Very low | 27.4 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | trans | -84.9 | 115 | 179.5 | -80.1 | 154.7 | 0 | 0 | 0 | 110.4 | ||||
| 727 | F | 26.8 | Very low | 27.4 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | -95.2 | 103.4 | 171.8 | -73.5 | -83.5 | 0 | 0 | 0 | 110.9 | V725 N729 | V725-F727 HydrophobicContact CB-CE2 4.27Å; V725-F727 HydrophobicContact CG1-CD2 4.42Å; V725-F727 HydrophobicContact CG1-CE2 3.96Å; V725-F727 HydrophobicContact CG1-CZ 4.19Å; F727-N729 PolarHBondContact O-N 2.97Å | ||
| 728 | G | 27.1 | Very low | 27.7 | Very low | 72 Ų | 72 | 133.8 Ų | 133.8 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | -87.9 | 86.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N730 | G728-N730 PolarHBondContact O-N 3.46Š| ||
| 729 | N | 28.4 | Very low | 27.9 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | -76.5 | 104.1 | 179 | -82.6 | 14 | 0 | 0 | 0 | 112.6 | F727 | F727-N729 PolarHBondContact O-N 2.97Š| ||
| 730 | N | 27.1 | Very low | 28.1 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | trans | -111.9 | 80.4 | 166.8 | -81.3 | -44.3 | 0 | 0 | 0 | 110.6 | G728 | G728-N730 PolarHBondContact O-N 3.46Š| ||
| 731 | I | 30.9 | Very low | 28.2 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | trans | -96.2 | 109.6 | 175.5 | -59.6 | 178.2 | 0 | 0 | 0 | 109.2 | L733 | I731-L733 PolarHBondContact O-N 3.1Š| ||
| 732 | R | 25.8 | Very low | 28.2 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 65% | 0.653 | 78% | 0.78 | S | S | * | * | trans | -71.9 | 118.4 | 167.3 | -90 | -174.4 | 168.5 | -127.2 | -0.1 | 109.2 | C22 | C22-R732 PolarHBondContact SG-NH2 2.87Š| ||
| 733 | L | 26.4 | Very low | 28.3 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -87.6 | 116.7 | 164.8 | -70.6 | 170.3 | 0 | 0 | 0 | 109.4 | I731 | I731-L733 PolarHBondContact O-N 3.1Š| ||
| 734 | T | 26.3 | Very low | 28.1 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | trans | -124.2 | 115.3 | 171.3 | 43.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 735 | V | 29.3 | Very low | 28.2 | Very low | 138 Ų | 138 | 134.8 Ų | 134.8 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -99.8 | 123.6 | 179.6 | 174.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 736 | P | 31.6 | Very low | 28.3 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | -82.4 | 153.8 | 160.7 | -11.9 | 30.1 | 0 | 0 | 0 | 111.5 | ||||
| 737 | S | 26.9 | Very low | 28.4 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -104 | 166.7 | -173.7 | -155.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 738 | S | 29.6 | Very low | 28.6 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | -68.1 | 145.5 | -169.7 | 54 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 739 | V | 29.1 | Very low | 28.6 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 87% | 0.873 | 79% | 0.788 | S | S | * | * | trans | -153.5 | 163.6 | 146.6 | -100.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 740 | P | 31.8 | Very low | 28.6 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 69% | 0.688 | 80% | 0.796 | S | S | * | * | trans | -125.3 | 161.9 | -140.6 | 43.7 | -33.6 | 0 | 0 | 0 | 119.4 | ||||
| 741 | T | 28.2 | Very low | 28.6 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | 43.2 | 119.6 | 147 | 55.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 742 | V | 27.3 | Very low | 28.3 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 90% | 0.903 | 81% | 0.805 | S | S | * | * | trans | -136.2 | 156.8 | 140.2 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 743 | N | 29.8 | Very low | 28.5 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 78% | 0.781 | 81% | 0.811 | S | S | * | * | trans | -106.1 | 166.2 | -162 | -72.7 | -36.9 | 0 | 0 | 0 | 116.6 | ||||
| 744 | S | 26.9 | Very low | 28.9 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 80.1 | 146 | 164 | -131 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 745 | I | 28.1 | Very low | 29 | Very low | 164 Ų | 164 | 143 Ų | 143 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | cis | -129 | 170.8 | 26.3 | -71.5 | 172.3 | 0 | 0 | 0 | 112.7 | ||||
| 746 | A | 29.1 | Very low | 29 | Very low | 86 Ų | 86 | 142.1 Ų | 142.1 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 162.6 | -166 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 747 | P | 30.3 | Very low | 28.9 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 159.7 | -175.9 | 37 | -36.8 | 0 | 0 | 0 | 115 | ||
| 748 | I | 29.9 | Very low | 28.8 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 89% | 0.892 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 136.6 | 171.8 | 49.6 | 172.6 | 0 | 0 | 0 | 112.3 | ||
| 749 | N | 27.4 | Very low | 28.7 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 129.3 | -177.7 | -80.4 | -87.3 | 0 | 0 | 0 | 112.2 | ||
| 750 | A | 28.5 | Very low | 28.8 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | -122.3 | 90.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 751 | R | 27 | Very low | 28.9 | Very low | 241 Ų | 241 | 144 Ų | 144 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | -42.4 | 131.2 | -179.8 | -67.3 | 166.3 | 169.1 | 144.7 | -3.3 | 115.8 | ||||
| 752 | H | 25.9 | Very low | 28.9 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 85% | 0.847 | 82% | 0.824 | S | S | * | * | trans | -80 | 132.5 | 157.6 | -161.3 | -90.8 | 0 | 0 | 0 | 109.8 | ||||
| 753 | I | 30 | Very low | 29 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | trans | -164.5 | 146.2 | 162.4 | -111.6 | 158.5 | 0 | 0 | 0 | 109.8 | ||||
| 754 | P | 34.8 | Very low | 29 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 67% | 0.669 | 82% | 0.823 | S | S | * | * | trans | -97 | 171 | -156.6 | 37.9 | -37.9 | 0 | 0 | 0 | 115.6 | ||||
| 755 | R | 27.8 | Very low | 29.1 | Very low | 251 Ų | 251 | 143.7 Ų | 143.7 | 95% | 0.947 | 83% | 0.829 | S | S | * | * | trans | -131.5 | 159 | 157 | -83.2 | -163.5 | 173.7 | 99 | -0.1 | 111.2 | ||||
| 756 | T | 29 | Very low | 29.1 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 72% | 0.724 | 83% | 0.825 | S | S | * | * | trans | -123.3 | 145 | -160.2 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 757 | L | 28.8 | Very low | 29 | Very low | 167 Ų | 167 | 147.5 Ų | 147.5 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | 50 | 111 | 144.4 | -61.1 | 170 | 0 | 0 | 0 | 119 | ||||
| 758 | S | 26.3 | Very low | 28.8 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | -144.7 | 139.8 | 116.8 | 68.8 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 759 | A | 27.7 | Very low | 28.6 | Very low | 97 Ų | 97 | 143 Ų | 143 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | trans | -145.9 | 132.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 760 | V | 30.1 | Very low | 28.6 | Very low | 136 Ų | 136 | 140.4 Ų | 140.4 | 82% | 0.824 | 83% | 0.829 | S | S | * | * | trans | -135 | 130.5 | 178.9 | -177.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 761 | P | 34 | Very low | 28.7 | Very low | 117 Ų | 117 | 140 Ų | 140 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 156.3 | -172.2 | 34.6 | -36.1 | 0 | 0 | 0 | 112.9 | ||
| 762 | S | 27.8 | Very low | 28.8 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 118.5 | 162 | -60.5 | 0 | 0 | 0 | 0 | 110.1 | ||
| 763 | S | 30.6 | Very low | 28.9 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 159.1 | 177.3 | 46 | 0 | 0 | 0 | 0 | 112.1 | ||
| 764 | A | 28.2 | Very low | 28.9 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 145.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 765 | L | 29.3 | Very low | 28.6 | Very low | 178 Ų | 178 | 134.7 Ų | 134.7 | 93% | 0.932 | 83% | 0.825 | S | S | * | * | trans | -138.8 | 160.9 | 162.4 | -115.3 | 164.7 | 0 | 0 | 0 | 109.7 | ||||
| 766 | K | 28.5 | Very low | 28.5 | Very low | 174 Ų | 174 | 128.8 Ų | 128.8 | 76% | 0.757 | 82% | 0.822 | S | S | * | * | trans | -149.7 | 145.6 | -155.7 | -174.1 | -169 | 176.1 | -175.9 | 0 | 110.9 | ||||
| 767 | L | 26.6 | Very low | 28.5 | Very low | 155 Ų | 155 | 132 Ų | 132 | 81% | 0.812 | 83% | 0.826 | S | S | * | * | trans | 68.1 | 159.3 | -176.8 | -55.5 | 119.5 | 0 | 0 | 0 | 113.1 | ||||
| 768 | A | 26 | Very low | 28.6 | Very low | 99 Ų | 99 | 129.6 Ų | 129.6 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | cis | -134.1 | -168.3 | 3.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 769 | A | 26.6 | Very low | 29.2 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -129.2 | 173.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 770 | A | 28.1 | Very low | 29.2 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | 91.4 | 164.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 771 | A | 29.6 | Very low | 29.2 | Very low | 96 Ų | 96 | 128.5 Ų | 128.5 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | 79.1 | 67.1 | 168 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 772 | N | 29.1 | Very low | 29 | Very low | 149 Ų | 149 | 127.5 Ų | 127.5 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | 10.2 | 125.6 | 115.6 | -175.5 | 24.5 | 0 | 0 | 0 | 118.7 | |||||
| 773 | C | 28.6 | Very low | 29.2 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | trans | -163.3 | 170.4 | 145.3 | -130.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 774 | Q | 29.3 | Very low | 29.3 | Very low | 167 Ų | 167 | 126.6 Ų | 126.6 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | -115.1 | 152.4 | -160.4 | -67.9 | -177.4 | -14.4 | 0 | 0 | 116.6 | ||||
| 775 | V | 29.4 | Very low | 29.3 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | trans | 35.4 | 132.8 | 137.2 | -176.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 776 | S | 26 | Very low | 29.2 | Very low | 127 Ų | 127 | 125.4 Ų | 125.4 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | -147.7 | 159.5 | 147.2 | -83.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 777 | K | 28.5 | Very low | 29.2 | Very low | 186 Ų | 186 | 122.8 Ų | 122.8 | 81% | 0.809 | 78% | 0.779 | S | S | * | * | trans | -147.5 | 124.7 | -155.3 | 172.5 | -176.4 | 174.2 | -175.8 | 0 | 113.7 | ||||
| 778 | V | 29.5 | Very low | 30.2 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | trans | 44.8 | 120.5 | 146.6 | -177.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 779 | P | 39.3 | Very low | 30.6 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | -121.6 | 152 | 101.9 | -4.2 | 26 | 0 | 0 | 0 | 111.9 | |||||
| 780 | S | 28.4 | Very low | 30.8 | Very low | 101 Ų | 101 | 126.3 Ų | 126.3 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | cis | 66 | 131.2 | 37.3 | 78.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 781 | S | 30.5 | Very low | 31 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | cis | -162 | -163.3 | -3.4 | 58.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 782 | S | 29.9 | Very low | 31.4 | Very low | 96 Ų | 96 | 130.2 Ų | 130.2 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | cis | -166.4 | -178.9 | 5.8 | 48.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 783 | S | 31.1 | Very low | 31.4 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | 74 | 154.1 | 153.4 | -85.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 784 | V | 33.1 | Very low | 31.5 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 70% | 0.703 | 73% | 0.734 | S | S | * | * | cis | -142.3 | 152.4 | 4.3 | -98 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 785 | D | 27.1 | Very low | 31.5 | Very low | 144 Ų | 144 | 128.9 Ų | 128.9 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | trans | 54.4 | 153.6 | 144.8 | -77.3 | -58.3 | 0 | 0 | 0 | 123.4 | ||||
| 786 | S | 29 | Very low | 31.6 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | cis | -145.8 | 169.4 | 10.1 | 29 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 787 | V | 28.4 | Very low | 32.6 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | trans | -127 | 143.7 | -167.1 | 161.3 | 0 | 0 | 0 | 0 | 110.1 | R789 | V787-R789 HydrophobicContact CG1-CG 4.18Š| ||
| 788 | P | 47.2 | Very low | 32.7 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 74% | 0.74 | 72% | 0.724 | S | S | * | * | -146.4 | 127.8 | 108.6 | 27.6 | -6 | 0 | 0 | 0 | 115.8 | |||||
| 789 | R | 34.7 | Very low | 32.9 | Very low | 189 Ų | 189 | 128 Ų | 128 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | 79.3 | 145.8 | 88.2 | -68 | 169.8 | 97.8 | 112.1 | 22.6 | 113.4 | V787 | V787-R789 HydrophobicContact CG1-CG 4.18Š| |||
| 790 | E | 31.2 | Very low | 32.4 | Very low | 123 Ų | 123 | 130 Ų | 130 | 58% | 0.575 | 73% | 0.732 | S | S | * | * | cis | -165 | 179.5 | -0.5 | -116 | 165.5 | 152.6 | 0 | 0 | 107.8 | ||||
| 791 | N | 30.9 | Very low | 32.5 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 63% | 0.626 | 73% | 0.732 | S | S | * | * | cis | -152.6 | -170.8 | 9.8 | -137.9 | -47.3 | 0 | 0 | 0 | 113.5 | ||||
| 792 | H | 37.8 | Very low | 32.5 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | trans | -77.1 | 177.3 | -178.3 | -73.2 | -60.1 | 0 | 0 | 0 | 118.1 | ||||
| 793 | E | 30.3 | Very low | 32.6 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | cis | -150.5 | -166.4 | -4.9 | -131.8 | -150.9 | 109.8 | 0 | 0 | 109.3 | ||||
| 794 | S | 30.6 | Very low | 32.7 | Very low | 89 Ų | 89 | 136.1 Ų | 136.1 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | cis | -144.5 | -158.8 | 4.2 | 51.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 795 | E | 27.8 | Very low | 32.6 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | cis | -157.8 | -167.5 | 3 | -149.6 | -156.3 | -104.4 | 0 | 0 | 110.3 | ||||
| 796 | K | 32.9 | Very low | 32.8 | Very low | 184 Ų | 184 | 137.5 Ų | 137.5 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | trans | -169.9 | 157.4 | 173.3 | -109.3 | 170.6 | -168.5 | 176.8 | 0 | 111.6 | ||||
| 797 | P | 47.6 | Very low | 32.9 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | cis | -133.4 | -146.5 | 49.8 | 32.5 | -8.5 | 0 | 0 | 0 | 112.2 | ||||
| 798 | A | 30.4 | Very low | 33.2 | Very low | 81 Ų | 81 | 137 Ų | 137 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | cis | -153.4 | 134.8 | 2.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 799 | L | 33.5 | Very low | 32.3 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | 64.5 | 111.4 | 87.6 | -62 | 179.8 | 0 | 0 | 0 | 118.8 | |||||
| 800 | N | 29.1 | Very low | 32.1 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | -160 | 170.2 | 105.3 | -117.5 | -28.3 | 0 | 0 | 0 | 113.2 | |||||
| 801 | N | 28.9 | Very low | 32.3 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | trans | -124.4 | -175.3 | -161.2 | -88.5 | -44.4 | 0 | 0 | 0 | 114.5 | ||||
| 802 | I | 30.9 | Very low | 32.6 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | 81.6 | 111.7 | 167.2 | -61.5 | 150.1 | 0 | 0 | 0 | 112.6 | ||||
| 803 | A | 32.2 | Very low | 32.3 | Very low | 88 Ų | 88 | 143.5 Ų | 143.5 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | cis | 82.5 | 126.3 | 28.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 804 | D | 32.3 | Very low | 32.4 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | trans | -154.2 | 149 | 149.2 | -129.8 | -25.4 | 0 | 0 | 0 | 111.4 | ||||
| 805 | N | 31.3 | Very low | 32.5 | Very low | 143 Ų | 143 | 145.3 Ų | 145.3 | 77% | 0.765 | 82% | 0.822 | S | S | * | * | trans | -110.6 | 144.2 | 173.5 | -78.6 | -87.1 | 0 | 0 | 0 | 109.2 | ||||
| 806 | T | 31.6 | Very low | 32.8 | Very low | 146 Ų | 146 | 144.2 Ų | 144.2 | 90% | 0.896 | 83% | 0.826 | S | S | * | * | trans | -133.4 | 135.7 | 150.6 | -53.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 807 | V | 31.6 | Very low | 32.8 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 79% | 0.788 | 83% | 0.827 | S | S | * | * | trans | -89.2 | 157.3 | -166.7 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 808 | A | 34.3 | Very low | 31.8 | Very low | 90 Ų | 90 | 143.3 Ų | 143.3 | 74% | 0.744 | 83% | 0.831 | S | S | * | * | trans | -64.2 | 162.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 809 | M | 27.7 | Very low | 31.9 | Very low | 191 Ų | 191 | 147.7 Ų | 147.7 | 94% | 0.941 | 84% | 0.843 | S | S | * | * | trans | -137.9 | 137.7 | 156.5 | -146.8 | 178.8 | 79.8 | 0 | 0 | 109.5 | ||||
| 810 | E | 32 | Very low | 31.8 | Very low | 172 Ų | 172 | 147.6 Ų | 147.6 | 80% | 0.804 | 85% | 0.847 | S | S | * | * | trans | -87.8 | 152.2 | -174.1 | -69 | -170.3 | 135.3 | 0 | 0 | 113 | ||||
| 811 | V | 33.9 | Very low | 32 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 78% | 0.776 | 85% | 0.846 | S | S | * | * | trans | 42.4 | 119 | 143 | -179.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 812 | T | 37.3 | Very low | 32.3 | Very low | 211 Ų | 211 | 147.5 Ų | 147.5 | 100% | 1.294 | 86% | 0.857 | S | S | * | * | -137.1 | 0 | 129 | -50 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 812 of 812 residues in 383.1 ms
(Link to these results)