| 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 | 33.3 | Very low | 37 | Very low | 242 Ų | 242 | 165.4 Ų | 165.4 | 100% | 1.192 | 81% | 0.813 | S | S | * | * | 0 | 140.3 | 0 | -78.6 | 136.8 | 67.6 | 0 | 0 | 108 | |||||
| 2 | E | 37.9 | Very low | 36.9 | Very low | 169 Ų | 169 | 158.9 Ų | 158.9 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | trans | -70.1 | -179.6 | 159.9 | -119.6 | -141.3 | 104.4 | 0 | 0 | 109.6 | W4 | E2-W4 PolarHBondContact OE1-N 2.91Š| ||
| 3 | P | 57.2 | Low | 36.6 | Very low | 93 Ų | 93 | 161.6 Ų | 161.6 | 60% | 0.604 | 81% | 0.814 | S | S | * | * | cis | -140.4 | -173.9 | 17.5 | 22.8 | 5.3 | 0 | 0 | 0 | 117.8 | ||||
| 4 | W | 31.2 | Very low | 36.4 | Very low | 217 Ų | 217 | 155 Ų | 155 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | 95.5 | 94.6 | 138.6 | -125.3 | -66 | 0 | 0 | 0 | 121.4 | E2 | E2-W4 PolarHBondContact OE1-N 2.91Š| ||
| 5 | A | 35.9 | Very low | 36 | Very low | 83 Ų | 83 | 155.3 Ų | 155.3 | 69% | 0.686 | 81% | 0.81 | S | S | * | * | trans | -102.2 | 174.2 | 130.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 6 | P | 56.2 | Low | 35.9 | Very low | 109 Ų | 109 | 152.6 Ų | 152.6 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | cis | -142.1 | -166.4 | 8.3 | 45.1 | -27.3 | 0 | 0 | 0 | 114.5 | ||||
| 7 | R | 29.8 | Very low | 36 | Very low | 214 Ų | 214 | 148.4 Ų | 148.4 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | -159.8 | 161.3 | 134.8 | -122.2 | 175.6 | 179.4 | -92.8 | 2.7 | 114.5 | ||||
| 8 | R | 31.5 | Very low | 36 | Very low | 226 Ų | 226 | 149.9 Ų | 149.9 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -121.1 | 153.4 | 175.6 | -54.1 | 171.8 | -179.2 | 156.6 | -2.9 | 109.9 | ||||
| 9 | Q | 31.3 | Very low | 36 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | trans | 171.1 | 135.3 | 132.6 | -91.7 | 154.9 | -39 | 0 | 0 | 108.2 | ||||
| 10 | L | 33.7 | Very low | 36.3 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | 76.3 | 99.8 | 50.1 | -92.8 | 170.9 | 0 | 0 | 0 | 115.3 | |||||
| 11 | T | 28.5 | Very low | 36.5 | Very low | 146 Ų | 146 | 147.5 Ų | 147.5 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | trans | -157.2 | 157.7 | 145.2 | 27.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 12 | A | 36.6 | Very low | 36.7 | Very low | 88 Ų | 88 | 143.8 Ų | 143.8 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -123.2 | -155.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 13 | E | 33.1 | Very low | 37 | Very low | 194 Ų | 194 | 141.9 Ų | 141.9 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | trans | 74.9 | 152.4 | -166.6 | -48.8 | -71.5 | 78.6 | 0 | 0 | 113.5 | ||||
| 14 | G | 33.3 | Very low | 36.2 | Very low | 69 Ų | 69 | 141.9 Ų | 141.9 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | cis | 169.1 | 91.8 | -6.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 15 | D | 30.9 | Very low | 36.5 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | 68.4 | 155.9 | 156.5 | -152.4 | 25.9 | 0 | 0 | 0 | 122.8 | ||||
| 16 | C | 33.4 | Very low | 37.3 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | trans | 37.4 | 88.9 | 160.5 | -85.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 17 | G | 38.2 | Very low | 36.9 | Very low | 80 Ų | 80 | 140.4 Ų | 140.4 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | 72.9 | 104.4 | 107.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 18 | I | 35.1 | Very low | 37.7 | Very low | 176 Ų | 176 | 134.2 Ų | 134.2 | 90% | 0.903 | 79% | 0.786 | S | S | * | * | trans | -136.7 | 155.5 | 152.8 | 53.4 | 171.5 | 0 | 0 | 0 | 110.9 | ||||
| 19 | S | 36.8 | Very low | 38.4 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -84.3 | 148.8 | -166.8 | -53.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 20 | S | 42.8 | Very low | 39.3 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | 50.2 | 85.8 | 142.8 | -54.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 21 | L | 39.6 | Very low | 40.2 | Very low | 177 Ų | 177 | 122.8 Ų | 122.8 | 93% | 0.927 | 76% | 0.758 | S | S | * | * | trans | -146.5 | 74.1 | 141.3 | -81.1 | -170.9 | 0 | 0 | 0 | 110.8 | ||||
| 22 | L | 36.8 | Very low | 41.3 | Very low | 164 Ų | 164 | 120 Ų | 120 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | trans | -100.5 | 114.6 | 162.4 | -164 | 79.5 | 0 | 0 | 0 | 108.2 | P24 | L22-P24 WeakPolarHBondContact O-CD 3.38Š| ||
| 23 | V | 43.9 | Very low | 41.7 | Very low | 129 Ų | 129 | 121.1 Ų | 121.1 | 78% | 0.782 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 121.1 | 172.4 | 175.3 | 0 | 0 | 0 | 0 | 108.4 | ||
| 24 | P | 41.2 | Very low | 42.4 | Very low | 92 Ų | 92 | 118.4 Ų | 118.4 | 60% | 0.597 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 139 | 177 | -20.9 | 34.1 | 0 | 0 | 0 | 112 | L22 | L22-P24 WeakPolarHBondContact O-CD 3.38Š|
| 25 | S | 37.6 | Very low | 43.3 | Very low | 85 Ų | 85 | 122.4 Ų | 122.4 | 59% | 0.594 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -80 | 130.3 | 169 | -175.8 | 0 | 0 | 0 | 0 | 109.4 | Q27 | S25-Q27 PolarHBondContact O-N 3.37Š|
| 26 | P | 52.6 | Low | 44.2 | Very low | 115 Ų | 115 | 122 Ų | 122 | 75% | 0.747 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 22 | -164.6 | 31.9 | -38.5 | 0 | 0 | 0 | 115.3 | ||
| 27 | Q | 47.4 | Very low | 44.8 | Very low | 179 Ų | 179 | 122 Ų | 122 | 84% | 0.836 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.8 | 34.1 | 179.8 | -65.3 | -163.2 | -11.7 | 0 | 0 | 113.3 | S25 | S25-Q27 PolarHBondContact O-N 3.37Š|
| 28 | S | 47.3 | Very low | 45.3 | Very low | 83 Ų | 83 | 125.3 Ų | 125.3 | 58% | 0.58 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -136.6 | -9.7 | 173.5 | -58.2 | 0 | 0 | 0 | 0 | 116 | A30 | S28-A30 VanDerWaalsContact C-N 3.29Å; S28-A30 PolarHBondContact O-N 2.86Å |
| 29 | E | 46.3 | Very low | 46.2 | Very low | 123 Ų | 123 | 121.6 Ų | 121.6 | 58% | 0.575 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -66.8 | -28.3 | 176.4 | -72 | 175.1 | 97.6 | 0 | 0 | 113.4 | V31 T32 H33 | E29-V31 PolarHBondContact O-N 3.37Å; E29-T32 PolarHBondContact O-N 2.65Å; E29-T32 PolarHBondContact O-OG1 3.38Å; E29-H33 PolarHBondContact O-N 2.99Å |
| 30 | A | 50.3 | Low | 46.9 | Very low | 77 Ų | 77 | 123.5 Ų | 123.5 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -67.5 | -2.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | S28 | S28-A30 VanDerWaalsContact C-N 3.29Å; S28-A30 PolarHBondContact O-N 2.86Å |
| 31 | V | 52.6 | Low | 47 | Very low | 107 Ų | 107 | 125 Ų | 125 | 65% | 0.648 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -120.8 | -19.3 | -179.8 | -177.1 | 0 | 0 | 0 | 0 | 112.3 | E29 | E29-V31 PolarHBondContact O-N 3.37Å |
| 32 | T | 50.7 | Low | 47.6 | Very low | 87 Ų | 87 | 121.9 Ų | 121.9 | 53% | 0.534 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -89.8 | -35.5 | 173.8 | 49.9 | 0 | 0 | 0 | 0 | 112.3 | E29 E34 M35 E36 | E29-T32 PolarHBondContact O-N 2.65Å; E29-T32 PolarHBondContact O-OG1 3.38Å; T32-E34 PolarHBondContact O-N 3.2Å; T32-M35 PolarHBondContact O-N 3.03Å; T32-E36 PolarHBondContact O-N 3.42Å |
| 33 | H | 44.6 | Very low | 48.3 | Very low | 111 Ų | 111 | 119.7 Ų | 119.7 | 51% | 0.514 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -58.5 | -36.8 | 178.7 | -150.5 | -89.9 | 0 | 0 | 0 | 111.8 | E29 M35 E36 E37 | E29-H33 PolarHBondContact O-N 2.99Å; H33-M35 PolarHBondContact O-N 3.07Å; H33-M35 VanDerWaalsContact O-N 3.11Å; H33-E36 PolarHBondContact O-N 3.45Å; H33-E37 IonicContact CE1-OE1 2.74Å; H33-E37 IonicContact CE1-OE2 2.77Å; H33-E37 PolarHBondContact CE1-OE2 3.21Å; H33-E37 VanDerWaalsContact CE1-OE2 3.25Å; H33-E37 IonicContact ND1-OE2 3.45Å; H33-E37 PolarHBondContact ND1-OE2 3.43Å; H33-E37 WeakPolarHBondContact O-CB 3.16Å; H33-E37 PolarHBondContact O-N 2.86Å |
| 34 | E | 48.8 | Very low | 48.7 | Very low | 137 Ų | 137 | 121.9 Ų | 121.9 | 64% | 0.64 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -61.3 | -19.5 | 177.9 | -50.8 | -163.7 | 138.6 | 0 | 0 | 114 | T32 L38 | T32-E34 PolarHBondContact O-N 3.2Å; E34-L38 WeakPolarHBondContact O-CD1 3.39Å; E34-L38 WeakPolarHBondContact O-CG 3.43Å |
| 35 | M | 52.5 | Low | 49.7 | Very low | 153 Ų | 153 | 122.4 Ų | 122.4 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -97.6 | -29.9 | -177.1 | -150.9 | 178.4 | -54.2 | 0 | 0 | 113.2 | T32 H33 | T32-M35 PolarHBondContact O-N 3.03Å; H33-M35 PolarHBondContact O-N 3.07Å; H33-M35 VanDerWaalsContact O-N 3.11Å |
| 36 | E | 48.8 | Very low | 50.9 | Low | 153 Ų | 153 | 123.7 Ų | 123.7 | 72% | 0.715 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -96 | -31.1 | 179.6 | -67.2 | -173.9 | 119.1 | 0 | 0 | 113 | T32 H33 L38 S39 | T32-E36 PolarHBondContact O-N 3.42Å; H33-E36 PolarHBondContact O-N 3.45Å; E36-L38 PolarHBondContact O-N 2.9Å; E36-S39 VanDerWaalsContact O-CB 3.3Å; E36-S39 WeakPolarHBondContact O-CB 3.49Å; E36-S39 PolarHBondContact O-N 3.26Å |
| 37 | E | 47.7 | Very low | 51.6 | Low | 112 Ų | 112 | 121.1 Ų | 121.1 | 52% | 0.523 | 66% | 0.659 | S | S | . | * | G | 310 helix | trans | -65.1 | -24.4 | 177.9 | -171.2 | 167 | -159 | 0 | 0 | 112.9 | H33 S39 | H33-E37 IonicContact CE1-OE1 2.74Å; H33-E37 IonicContact CE1-OE2 2.77Å; H33-E37 PolarHBondContact CE1-OE2 3.21Å; H33-E37 VanDerWaalsContact CE1-OE2 3.25Å; H33-E37 IonicContact ND1-OE2 3.45Å; H33-E37 PolarHBondContact ND1-OE2 3.43Å; H33-E37 WeakPolarHBondContact O-CB 3.16Å; H33-E37 PolarHBondContact O-N 2.86Å; E37-S39 PolarHBondContact O-N 2.96Å |
| 38 | L | 47.6 | Very low | 53.4 | Low | 149 Ų | 149 | 116.2 Ų | 116.2 | 78% | 0.78 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -67.9 | -11.8 | 171.7 | -68.1 | 177.9 | 0 | 0 | 0 | 114 | E34 E36 | E34-L38 WeakPolarHBondContact O-CD1 3.39Å; E34-L38 WeakPolarHBondContact O-CG 3.43Å; E36-L38 PolarHBondContact O-N 2.9Å |
| 39 | S | 53.5 | Low | 55.4 | Low | 97 Ų | 97 | 117.4 Ų | 117.4 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -85.4 | -13.4 | -177.2 | -167.6 | 0 | 0 | 0 | 0 | 114.6 | E36 E37 | E36-S39 VanDerWaalsContact O-CB 3.3Å; E36-S39 WeakPolarHBondContact O-CB 3.49Å; E36-S39 PolarHBondContact O-N 3.26Å; E37-S39 PolarHBondContact O-N 2.96Å |
| 40 | L | 51.4 | Low | 57.4 | Low | 154 Ų | 154 | 116.8 Ų | 116.8 | 81% | 0.806 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -130.9 | 17.1 | -168.3 | -68.4 | 177 | 0 | 0 | 0 | 115.7 | P42 | L40-P42 WeakPolarHBondContact O-CD 3.49Š|
| 41 | Q | 45.1 | Very low | 59.4 | Low | 142 Ų | 142 | 117.9 Ų | 117.9 | 66% | 0.664 | 64% | 0.635 | S | S | * | * | trans | -86.5 | 114.3 | 170.6 | -85.6 | -69.5 | -17.9 | 0 | 0 | 112.2 | T43 | Q41-T43 PolarHBondContact O-N 3.47Š| ||
| 42 | P | 52.3 | Low | 61.4 | Low | 110 Ų | 110 | 118.1 Ų | 118.1 | 71% | 0.714 | 62% | 0.624 | S | S | * | * | trans | -75.6 | 83.8 | -176.9 | -16.6 | 33.5 | 0 | 0 | 0 | 113.6 | L40 Q44 | L40-P42 WeakPolarHBondContact O-CD 3.49Å; P42-Q44 PolarHBondContact O-N 3.04Å | ||
| 43 | T | 51.9 | Low | 63.5 | Low | 119 Ų | 119 | 120 Ų | 120 | 73% | 0.73 | 63% | 0.625 | S | S | * | * | trans | 49.6 | 64.8 | 157.5 | 54.8 | 0 | 0 | 0 | 0 | 116.9 | Q41 S45 | Q41-T43 PolarHBondContact O-N 3.47Å; T43-S45 VanDerWaalsContact C-N 3.28Å; T43-S45 PolarHBondContact O-N 3.13Å | ||
| 44 | Q | 52.8 | Low | 65.9 | Low | 174 Ų | 174 | 118.5 Ų | 118.5 | 81% | 0.813 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -65.5 | 88.9 | 160 | -75.3 | -103.3 | 46.7 | 0 | 0 | 110.1 | P42 L46 | P42-Q44 PolarHBondContact O-N 3.04Å; Q44-L46 PolarHBondContact O-N 2.86Å |
| 45 | S | 61.8 | Low | 68.1 | Low | 103 Ų | 103 | 116.3 Ų | 116.3 | 72% | 0.72 | 62% | 0.616 | S | S | * | * | trans | 36.5 | 62.5 | 166.5 | 63.8 | 0 | 0 | 0 | 0 | 116.7 | T43 P47 | T43-S45 VanDerWaalsContact C-N 3.28Å; T43-S45 PolarHBondContact O-N 3.13Å; S45-P47 WeakPolarHBondContact O-CD 3.49Å | ||
| 46 | L | 61.7 | Low | 70.2 | Confident | 113 Ų | 113 | 113.9 Ų | 113.9 | 59% | 0.592 | 61% | 0.606 | S | S | * | * | trans | -55.1 | 124.5 | 154.9 | -79.4 | 174.2 | 0 | 0 | 0 | 107.9 | Q44 | Q44-L46 PolarHBondContact O-N 2.86Š| ||
| 47 | P | 68.6 | Low | 72.5 | Confident | 60 Ų | 60 | 112.9 Ų | 112.9 | 39% | 0.39 | 60% | 0.601 | S | S | . | * | trans | -55.3 | 144.7 | -176 | 13.3 | -25.1 | 0 | 0 | 0 | 110.9 | S45 L49 E51 R52 | S45-P47 WeakPolarHBondContact O-CD 3.49Å; P47-L49 PolarHBondContact O-N 3.02Å; P47-E51 HydrophobicContact CB-CB 4.23Å; P47-E51 WeakPolarHBondContact CB-OE2 3.46Å; P47-R52 HydrophobicContact CB-CG 4.45Å; P47-R52 HydrophobicContact CG-CG 3.92Å; P47-R52 PolarHBondContact O-NE 3.42Å; P47-R52 PolarHBondContact O-NH2 2.94Å | ||
| 48 | P | 85.5 | Confident | 74.8 | Confident | 76 Ų | 76 | 111.9 Ų | 111.9 | 49% | 0.494 | 60% | 0.599 | S | S | . | * | trans | -39.9 | 140.8 | -179.5 | -34.9 | 35.6 | 0 | 0 | 0 | 112.9 | N50 E51 R52 | P48-N50 CarbonylContact O-C 3.53Å; P48-N50 PolarHBondContact O-N 3.44Å; P48-E51 HydrophobicContact CB-CG 4.41Å; P48-E51 WeakPolarHBondContact CD-OE1 3.36Å; P48-E51 WeakPolarHBondContact CG-OE1 3.48Å; P48-E51 WeakPolarHBondContact O-CA 3.34Å; P48-E51 WeakPolarHBondContact O-CB 3.3Å; P48-E51 PolarHBondContact O-N 3.27Å; P48-R52 PolarHBondContact O-N 2.91Å; P48-R52 VanDerWaalsContact O-N 3.08Å | ||
| 49 | L | 88.9 | Confident | 77.2 | Confident | 109 Ų | 109 | 113.5 Ų | 113.5 | 57% | 0.571 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -53.6 | -31.7 | -175 | -147.7 | -178.6 | 0 | 0 | 0 | 111.4 | P47 K53 | P47-L49 PolarHBondContact O-N 3.02Å; L49-K53 HydrophobicContact CD2-CD 3.94Å; L49-K53 HydrophobicContact CD2-CG 4.01Å; L49-K53 WeakPolarHBondContact O-CB 3.46Å; L49-K53 WeakPolarHBondContact O-CG 3.49Å; L49-K53 PolarHBondContact O-N 3.36Å |
| 50 | N | 89 | Confident | 79.2 | Confident | 109 Ų | 109 | 112.9 Ų | 112.9 | 58% | 0.583 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.6 | -46.4 | 172.4 | -161.9 | 46.1 | 0 | 0 | 0 | 113.7 | P48 K53 N54 | P48-N50 CarbonylContact O-C 3.53Å; P48-N50 PolarHBondContact O-N 3.44Å; N50-K53 WeakPolarHBondContact O-CB 3.3Å; N50-K53 PolarHBondContact O-N 2.74Å; N50-N54 WeakPolarHBondContact O-CB 3.27Å; N50-N54 PolarHBondContact O-N 3.38Å; N50-N54 PolarHBondContact O-ND2 3.43Å; N50-N54 VanDerWaalsContact O-ND2 3.15Å |
| 51 | E | 91.9 | Very high | 81.4 | Confident | 100 Ų | 100 | 113.4 Ų | 113.4 | 47% | 0.467 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.7 | -42.3 | 176.3 | -70.9 | 169.3 | -144.9 | 0 | 0 | 111.8 | P47 P48 K53 N54 V55 | P47-E51 HydrophobicContact CB-CB 4.23Å; P47-E51 WeakPolarHBondContact CB-OE2 3.46Å; P48-E51 HydrophobicContact CB-CG 4.41Å; P48-E51 WeakPolarHBondContact CD-OE1 3.36Å; P48-E51 WeakPolarHBondContact CG-OE1 3.48Å; P48-E51 WeakPolarHBondContact O-CA 3.34Å; P48-E51 WeakPolarHBondContact O-CB 3.3Å; P48-E51 PolarHBondContact O-N 3.27Å; E51-K53 VanDerWaalsContact C-N 3.3Å; E51-K53 PolarHBondContact O-N 3.04Å; E51-N54 PolarHBondContact O-N 3.38Å; E51-N54 VanDerWaalsContact O-N 3.17Å; E51-V55 WeakPolarHBondContact O-CG2 3.38Å; E51-V55 PolarHBondContact O-N 3.32Å |
| 52 | R | 94 | Very high | 83.8 | Confident | 113 Ų | 113 | 113.1 Ų | 113.1 | 43% | 0.426 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.9 | -38.8 | 174.2 | -74.7 | -172.7 | -83 | 158.9 | -7 | 112 | P47 P48 L56 | P47-R52 HydrophobicContact CB-CG 4.45Å; P47-R52 HydrophobicContact CG-CG 3.92Å; P47-R52 PolarHBondContact O-NE 3.42Å; P47-R52 PolarHBondContact O-NH2 2.94Å; P48-R52 PolarHBondContact O-N 2.91Å; P48-R52 VanDerWaalsContact O-N 3.08Å; R52-L56 VanDerWaalsContact O-CB 3.28Å; R52-L56 WeakPolarHBondContact O-CB 3.4Å; R52-L56 PolarHBondContact O-N 2.86Å; R52-L56 VanDerWaalsContact O-N 3.1Å |
| 53 | K | 94.6 | Very high | 85.9 | Confident | 126 Ų | 126 | 116.5 Ų | 116.5 | 55% | 0.548 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.8 | -48.1 | 170.6 | -78.1 | 171.1 | 171.3 | 176.6 | 0 | 112 | L49 N50 E51 L56 Q57 | L49-K53 HydrophobicContact CD2-CD 3.94Å; L49-K53 HydrophobicContact CD2-CG 4.01Å; L49-K53 WeakPolarHBondContact O-CB 3.46Å; L49-K53 WeakPolarHBondContact O-CG 3.49Å; L49-K53 PolarHBondContact O-N 3.36Å; N50-K53 WeakPolarHBondContact O-CB 3.3Å; N50-K53 PolarHBondContact O-N 2.74Å; E51-K53 VanDerWaalsContact C-N 3.3Å; E51-K53 PolarHBondContact O-N 3.04Å; K53-L56 PolarHBondContact O-N 2.92Å; K53-Q57 WeakPolarHBondContact O-CB 3.39Å; K53-Q57 PolarHBondContact O-N 3.05Å |
| 54 | N | 94.8 | Very high | 88.1 | Confident | 80 Ų | 80 | 117.4 Ų | 117.4 | 43% | 0.428 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.4 | -45.5 | -179 | -70.2 | -31.6 | 0 | 0 | 0 | 112.5 | N50 E51 Q57 L58 | N50-N54 WeakPolarHBondContact O-CB 3.27Å; N50-N54 PolarHBondContact O-N 3.38Å; N50-N54 PolarHBondContact O-ND2 3.43Å; N50-N54 VanDerWaalsContact O-ND2 3.15Å; E51-N54 PolarHBondContact O-N 3.38Å; E51-N54 VanDerWaalsContact O-N 3.17Å; N54-Q57 PolarHBondContact O-N 3.42Å; N54-L58 WeakPolarHBondContact O-CB 3.24Å; N54-L58 PolarHBondContact O-N 3.14Å |
| 55 | V | 96 | Very high | 90.2 | Very high | 90 Ų | 90 | 112.1 Ų | 112.1 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 176.5 | 173.1 | 0 | 0 | 0 | 0 | 111 | E51 R59 | E51-V55 WeakPolarHBondContact O-CG2 3.38Å; E51-V55 PolarHBondContact O-N 3.32Å; V55-R59 HydrophobicContact CG1-CG 4.46Å; V55-R59 WeakPolarHBondContact O-CB 3.41Å; V55-R59 VanDerWaalsContact O-CG 3.23Å; V55-R59 WeakPolarHBondContact O-CG 3.47Å; V55-R59 PolarHBondContact O-N 3.15Å |
| 56 | L | 96.1 | Very high | 91.8 | Very high | 103 Ų | 103 | 113.7 Ų | 113.7 | 54% | 0.539 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 175.3 | 179.2 | 60.2 | 0 | 0 | 0 | 111.8 | R52 K53 L58 R59 L60 | R52-L56 VanDerWaalsContact O-CB 3.28Å; R52-L56 WeakPolarHBondContact O-CB 3.4Å; R52-L56 PolarHBondContact O-N 2.86Å; R52-L56 VanDerWaalsContact O-N 3.1Å; K53-L56 PolarHBondContact O-N 2.92Å; L56-L58 PolarHBondContact O-N 3.33Å; L56-R59 PolarHBondContact O-N 3.24Å; L56-L60 HydrophobicContact CD1-CD1 4.03Å; L56-L60 HydrophobicContact CD1-CG 4.06Å; L56-L60 HydrophobicContact CG-CD1 3.9Å; L56-L60 HydrophobicContact CG-CG 4.36Å; L56-L60 WeakPolarHBondContact O-CB 3.4Å; L56-L60 VanDerWaalsContact O-CG 3.27Å; L56-L60 WeakPolarHBondContact O-CG 3.22Å; L56-L60 PolarHBondContact O-N 3.16Å |
| 57 | Q | 96.4 | Very high | 93.5 | Very high | 131 Ų | 131 | 112.6 Ų | 112.6 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.5 | -44.8 | 177.5 | -175.9 | 174.6 | -0.5 | 0 | 0 | 111.5 | K53 N54 L60 Q61 | K53-Q57 WeakPolarHBondContact O-CB 3.39Å; K53-Q57 PolarHBondContact O-N 3.05Å; N54-Q57 PolarHBondContact O-N 3.42Å; Q57-L60 PolarHBondContact O-N 2.85Å; Q57-Q61 WeakPolarHBondContact O-CB 3.41Å; Q57-Q61 PolarHBondContact O-N 3.25Å |
| 58 | L | 97.3 | Very high | 94.8 | Very high | 91 Ų | 91 | 114 Ų | 114 | 48% | 0.476 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 175.6 | -175.1 | 64.2 | 0 | 0 | 0 | 111.8 | N54 L56 L60 Q61 Q62 | N54-L58 WeakPolarHBondContact O-CB 3.24Å; N54-L58 PolarHBondContact O-N 3.14Å; L56-L58 PolarHBondContact O-N 3.33Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 2.84Å; L58-Q61 PolarHBondContact O-N 2.76Å; L58-Q62 HydrophobicContact CD1-CG 4.49Å; L58-Q62 WeakPolarHBondContact O-CB 3.41Å; L58-Q62 WeakPolarHBondContact O-CG 3.32Å; L58-Q62 PolarHBondContact O-N 2.88Å |
| 59 | R | 97.1 | Very high | 95.4 | Very high | 184 Ų | 184 | 112.3 Ų | 112.3 | 69% | 0.694 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.8 | -36.4 | 175.5 | -73.5 | -74.7 | -173.7 | 146.2 | 2.9 | 112.5 | V55 L56 R63 | V55-R59 HydrophobicContact CG1-CG 4.46Å; V55-R59 WeakPolarHBondContact O-CB 3.41Å; V55-R59 VanDerWaalsContact O-CG 3.23Å; V55-R59 WeakPolarHBondContact O-CG 3.47Å; V55-R59 PolarHBondContact O-N 3.15Å; L56-R59 PolarHBondContact O-N 3.24Å; R59-R63 PolarHBondContact O-N 3.43Å |
| 60 | L | 97.1 | Very high | 95.8 | Very high | 84 Ų | 84 | 108.5 Ų | 108.5 | 44% | 0.44 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.5 | -31.7 | 175.9 | -73.8 | 172.6 | 0 | 0 | 0 | 112.6 | L56 Q57 L58 R63 | L56-L60 HydrophobicContact CD1-CD1 4.03Å; L56-L60 HydrophobicContact CD1-CG 4.06Å; L56-L60 HydrophobicContact CG-CD1 3.9Å; L56-L60 HydrophobicContact CG-CG 4.36Å; L56-L60 WeakPolarHBondContact O-CB 3.4Å; L56-L60 VanDerWaalsContact O-CG 3.27Å; L56-L60 WeakPolarHBondContact O-CG 3.22Å; L56-L60 PolarHBondContact O-N 3.16Å; Q57-L60 PolarHBondContact O-N 2.85Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 2.84Å; L60-R63 VanDerWaalsContact O-CD 3.26Å; L60-R63 WeakPolarHBondContact O-CD 3.12Å; L60-R63 WeakPolarHBondContact O-CG 3.33Å; L60-R63 PolarHBondContact O-NE 3.48Å |
| 61 | Q | 96.2 | Very high | 96.1 | Very high | 164 Ų | 164 | 109.1 Ų | 109.1 | 77% | 0.766 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -75.3 | -32 | 173.5 | -168.4 | 175.6 | 50 | 0 | 0 | 112.3 | Q57 L58 R63 | Q57-Q61 WeakPolarHBondContact O-CB 3.41Å; Q57-Q61 PolarHBondContact O-N 3.25Å; L58-Q61 PolarHBondContact O-N 2.76Å; Q61-R63 VanDerWaalsContact C-N 3.34Å |
| 62 | Q | 96.8 | Very high | 96.4 | Very high | 136 Ų | 136 | 109.4 Ų | 109.4 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -85 | 1.3 | 176.1 | -67.7 | 179.9 | 11.3 | 0 | 0 | 114.3 | L58 | L58-Q62 HydrophobicContact CD1-CG 4.49Å; L58-Q62 WeakPolarHBondContact O-CB 3.41Å; L58-Q62 WeakPolarHBondContact O-CG 3.32Å; L58-Q62 PolarHBondContact O-N 2.88Å |
| 63 | R | 96.4 | Very high | 96.4 | Very high | 181 Ų | 181 | 107.3 Ų | 107.3 | 68% | 0.683 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 142.5 | 180 | 81 | -167.4 | 172.5 | 168.4 | -0.4 | 111 | R59 L60 Q61 | R59-R63 PolarHBondContact O-N 3.43Å; L60-R63 VanDerWaalsContact O-CD 3.26Å; L60-R63 WeakPolarHBondContact O-CD 3.12Å; L60-R63 WeakPolarHBondContact O-CG 3.33Å; L60-R63 PolarHBondContact O-NE 3.48Å; Q61-R63 VanDerWaalsContact C-N 3.34Å |
| 64 | R | 97.3 | Very high | 96.5 | Very high | 139 Ų | 139 | 106 Ų | 106 | 53% | 0.525 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 153.9 | 168.4 | -58.8 | -169.2 | -169.4 | 99.6 | 7.6 | 110 | Q68 L69 | R64-Q68 HydrophobicContact CB-CB 4.25Å; R64-L69 HydrophobicContact CB-CD2 4.07Å; R64-L69 HydrophobicContact CB-CG 4.11Å |
| 65 | T | 97.1 | Very high | 96.5 | Very high | 63 Ų | 63 | 105.8 Ų | 105.8 | 39% | 0.387 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 163.7 | 174 | 87.2 | 0 | 0 | 0 | 0 | 110.4 | E67 Q68 L69 | T65-E67 WeakPolarHBondContact CB-OE2 3.37Å; T65-E67 PolarHBondContact O-N 3.25Å; T65-E67 PolarHBondContact OG1-OE2 3.3Å; T65-Q68 HydrophobicContact CG2-CG 4.47Å; T65-Q68 VanDerWaalsContact N-OE1 3.09Å; T65-Q68 PolarHBondContact O-N 2.92Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.48Å; T65-Q68 PolarHBondContact OG1-N 3.08Å; T65-L69 WeakPolarHBondContact O-CG 3.38Å; T65-L69 PolarHBondContact O-N 3.46Å |
| 66 | R | 96.1 | Very high | 96.3 | Very high | 136 Ų | 136 | 103.2 Ų | 103.2 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.9 | -32.1 | -176.1 | -163.7 | -172.5 | 165.8 | -158.9 | -10.9 | 111 | L69 V70 L78 | R66-L69 PolarHBondContact O-N 2.87Å; R66-V70 PolarHBondContact O-N 3.26Å; R66-V70 VanDerWaalsContact O-N 3.16Å; R66-L78 HydrophobicContact CB-CD2 4.41Å; R66-L78 HydrophobicContact CG-CD2 3.69Å |
| 67 | E | 95.9 | Very high | 96.2 | Very high | 89 Ų | 89 | 101.3 Ų | 101.3 | 42% | 0.416 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -54 | 176.2 | -52.1 | 61.3 | -126.6 | 0 | 0 | 109.1 | T65 L69 V70 D71 L78 | T65-E67 WeakPolarHBondContact CB-OE2 3.37Å; T65-E67 PolarHBondContact O-N 3.25Å; T65-E67 PolarHBondContact OG1-OE2 3.3Å; E67-L69 PolarHBondContact O-N 2.9Å; E67-V70 CarbonylContact O-C 3.53Å; E67-V70 WeakPolarHBondContact O-CA 3.44Å; E67-V70 WeakPolarHBondContact O-CB 3.47Å; E67-V70 PolarHBondContact O-N 3.23Å; E67-D71 VanDerWaalsContact O-CG 3.23Å; E67-D71 PolarHBondContact O-N 3.5Å; E67-L78 HydrophobicContact CG-CD1 3.8Å; E67-L78 WeakPolarHBondContact OE1-CD1 3.39Å |
| 68 | Q | 97.3 | Very high | 95.9 | Very high | 90 Ų | 90 | 98.2 Ų | 98.2 | 42% | 0.421 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -56.1 | -27.5 | 175.9 | -70.5 | 174.8 | -12.9 | 0 | 0 | 113.6 | R64 T65 Q72 | R64-Q68 HydrophobicContact CB-CB 4.25Å; T65-Q68 HydrophobicContact CG2-CG 4.47Å; T65-Q68 VanDerWaalsContact N-OE1 3.09Å; T65-Q68 PolarHBondContact O-N 2.92Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.48Å; T65-Q68 PolarHBondContact OG1-N 3.08Å; Q68-Q72 WeakPolarHBondContact O-CG 3.47Å; Q68-Q72 PolarHBondContact O-N 2.99Å; Q68-Q72 PolarHBondContact O-NE2 3.14Å |
| 69 | L | 97.5 | Very high | 95.6 | Very high | 40 Ų | 40 | 102.7 Ų | 102.7 | 21% | 0.209 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -81.5 | -27.4 | 175 | -65.5 | 172.8 | 0 | 0 | 0 | 112.7 | R64 T65 R66 E67 G73 I74 M75 | R64-L69 HydrophobicContact CB-CD2 4.07Å; R64-L69 HydrophobicContact CB-CG 4.11Å; T65-L69 WeakPolarHBondContact O-CG 3.38Å; T65-L69 PolarHBondContact O-N 3.46Å; R66-L69 PolarHBondContact O-N 2.87Å; E67-L69 PolarHBondContact O-N 2.9Å; L69-G73 PolarHBondContact O-N 3.38Å; L69-I74 HydrophobicContact CB-CB 4.42Å; L69-I74 HydrophobicContact CD2-CB 4.39Å; L69-I74 HydrophobicContact CD2-CD1 3.81Å; L69-I74 HydrophobicContact CD2-CG2 4.37Å; L69-I74 WeakPolarHBondContact O-CA 3.5Å; L69-I74 WeakPolarHBondContact O-CB 3.47Å; L69-I74 PolarHBondContact O-N 3.29Å; L69-M75 HydrophobicContact CB-CB 4.12Å; L69-M75 HydrophobicContact CB-CG 3.7Å; L69-M75 HydrophobicContact CD1-CG 4.34Å; L69-M75 PolarHBondContact O-N 3.29Å |
| 70 | V | 96.5 | Very high | 95.3 | Very high | 30 Ų | 30 | 95.1 Ų | 95.1 | 18% | 0.182 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -70.5 | -44.8 | 168.6 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | R66 E67 Q72 G73 M75 P76 P77 L78 | R66-V70 PolarHBondContact O-N 3.26Å; R66-V70 VanDerWaalsContact O-N 3.16Å; E67-V70 CarbonylContact O-C 3.53Å; E67-V70 WeakPolarHBondContact O-CA 3.44Å; E67-V70 WeakPolarHBondContact O-CB 3.47Å; E67-V70 PolarHBondContact O-N 3.23Å; V70-Q72 PolarHBondContact O-N 3.04Å; V70-G73 WeakPolarHBondContact O-CA 3.31Å; V70-G73 PolarHBondContact O-N 3.27Å; V70-M75 HydrophobicContact CG2-CB 3.82Å; V70-P76 VanDerWaalsContact CG2-O 3.25Å; V70-P76 WeakPolarHBondContact CG2-O 3.35Å; V70-P77 HydrophobicContact CG1-CB 4.33Å; V70-P77 HydrophobicContact CG1-CG 4.48Å; V70-L78 HydrophobicContact CG2-CD2 3.51Å; V70-L78 HydrophobicContact CG2-CG 3.93Å |
| 71 | D | 96.5 | Very high | 95 | Very high | 122 Ų | 122 | 94.7 Ų | 94.7 | 65% | 0.652 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63 | -28.9 | -179.9 | -53.8 | -31 | 0 | 0 | 0 | 112.2 | E67 G73 | E67-D71 VanDerWaalsContact O-CG 3.23Å; E67-D71 PolarHBondContact O-N 3.5Å; D71-G73 VanDerWaalsContact C-N 3.33Å |
| 72 | Q | 97.3 | Very high | 94.8 | Very high | 106 Ų | 106 | 90.8 Ų | 90.8 | 50% | 0.495 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 1.6 | 172.1 | -78.7 | 168.5 | 92.3 | 0 | 0 | 113.9 | Q68 V70 I74 | Q68-Q72 WeakPolarHBondContact O-CG 3.47Å; Q68-Q72 PolarHBondContact O-N 2.99Å; Q68-Q72 PolarHBondContact O-NE2 3.14Å; V70-Q72 PolarHBondContact O-N 3.04Å; Q72-I74 HydrophobicContact CB-CD1 3.81Å; Q72-I74 HydrophobicContact CB-CG1 4.01Å; Q72-I74 PolarHBondContact O-N 2.86Å |
| 73 | G | 94.3 | Very high | 94.6 | Very high | 68 Ų | 68 | 88.1 Ų | 88.1 | 70% | 0.701 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 11.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L69 V70 D71 | L69-G73 PolarHBondContact O-N 3.38Å; V70-G73 WeakPolarHBondContact O-CA 3.31Å; V70-G73 PolarHBondContact O-N 3.27Å; D71-G73 VanDerWaalsContact C-N 3.33Å |
| 74 | I | 95.9 | Very high | 94.6 | Very high | 98 Ų | 98 | 85.4 Ų | 85.4 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -79.8 | -36.6 | -179.5 | -60.1 | 167.1 | 0 | 0 | 0 | 110.5 | L69 Q72 | L69-I74 HydrophobicContact CB-CB 4.42Å; L69-I74 HydrophobicContact CD2-CB 4.39Å; L69-I74 HydrophobicContact CD2-CD1 3.81Å; L69-I74 HydrophobicContact CD2-CG2 4.37Å; L69-I74 WeakPolarHBondContact O-CA 3.5Å; L69-I74 WeakPolarHBondContact O-CB 3.47Å; L69-I74 PolarHBondContact O-N 3.29Å; Q72-I74 HydrophobicContact CB-CD1 3.81Å; Q72-I74 HydrophobicContact CB-CG1 4.01Å; Q72-I74 PolarHBondContact O-N 2.86Å |
| 75 | M | 95 | Very high | 94.5 | Very high | 76 Ų | 76 | 79.7 Ų | 79.7 | 37% | 0.374 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -111.4 | 147.2 | 178.4 | -75.4 | -65 | -67.5 | 0 | 0 | 112 | L69 V70 | L69-M75 HydrophobicContact CB-CB 4.12Å; L69-M75 HydrophobicContact CB-CG 3.7Å; L69-M75 HydrophobicContact CD1-CG 4.34Å; L69-M75 PolarHBondContact O-N 3.29Å; V70-M75 HydrophobicContact CG2-CB 3.82Å |
| 76 | P | 93.3 | Very high | 94.3 | Very high | 37 Ų | 37 | 78.7 Ų | 78.7 | 24% | 0.24 | 44% | 0.444 | C | S | . | . | trans | -55.8 | 142.2 | 167.2 | -28 | 37.2 | 0 | 0 | 0 | 112.8 | V70 L78 H85 | V70-P76 VanDerWaalsContact CG2-O 3.25Å; V70-P76 WeakPolarHBondContact CG2-O 3.35Å; P76-L78 PolarHBondContact O-N 3.02Å; P76-H85 HydrophobicContact CB-CB 4.28Å | ||
| 77 | P | 93.8 | Very high | 94.4 | Very high | 63 Ų | 63 | 77.7 Ų | 77.7 | 41% | 0.409 | 45% | 0.445 | S | S | . | . | trans | -51.8 | 133 | 178.4 | -28.3 | 35.8 | 0 | 0 | 0 | 113.1 | V70 K79 S80 H85 | V70-P77 HydrophobicContact CG1-CB 4.33Å; V70-P77 HydrophobicContact CG1-CG 4.48Å; P77-K79 PolarHBondContact O-N 2.81Å; P77-S80 WeakPolarHBondContact O-CB 3.4Å; P77-S80 PolarHBondContact O-N 3.38Å; P77-S80 PolarHBondContact O-OG 3.07Å; P77-H85 VanDerWaalsContact CD-CE1 3.43Å; P77-H85 WeakPolarHBondContact CD-CE1 3.29Å | ||
| 78 | L | 90.4 | Very high | 94.4 | Very high | 66 Ų | 66 | 75.6 Ų | 75.6 | 35% | 0.346 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -32.6 | -171.4 | -50.3 | -172.4 | 0 | 0 | 0 | 113.3 | R66 E67 V70 P76 S80 | R66-L78 HydrophobicContact CB-CD2 4.41Å; R66-L78 HydrophobicContact CG-CD2 3.69Å; E67-L78 HydrophobicContact CG-CD1 3.8Å; E67-L78 WeakPolarHBondContact OE1-CD1 3.39Å; V70-L78 HydrophobicContact CG2-CD2 3.51Å; V70-L78 HydrophobicContact CG2-CG 3.93Å; P76-L78 PolarHBondContact O-N 3.02Å; L78-S80 PolarHBondContact O-N 3.47Å |
| 79 | K | 90.5 | Very high | 94.3 | Very high | 184 Ų | 184 | 78.1 Ų | 78.1 | 80% | 0.8 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -6.4 | 177.1 | -56.5 | 178.2 | -175.5 | 175.2 | 0 | 112.7 | P77 D847 | P77-K79 PolarHBondContact O-N 2.81Å; K79-D847 IonicContact NZ-OD1 3.7Å; K79-D847 PolarHBondContact NZ-OD1 3.24Å |
| 80 | S | 90.3 | Very high | 94.3 | Very high | 25 Ų | 25 | 79.8 Ų | 79.8 | 18% | 0.175 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -103.1 | 135.2 | -178.3 | 74.1 | 0 | 0 | 0 | 0 | 112.7 | P77 L78 A82 | P77-S80 WeakPolarHBondContact O-CB 3.4Å; P77-S80 PolarHBondContact O-N 3.38Å; P77-S80 PolarHBondContact O-OG 3.07Å; L78-S80 PolarHBondContact O-N 3.47Å; S80-A82 PolarHBondContact O-N 2.91Å |
| 81 | P | 91.3 | Very high | 94.3 | Very high | 76 Ų | 76 | 82.6 Ų | 82.6 | 49% | 0.494 | 47% | 0.471 | S | S | . | . | trans | -62.7 | 119.6 | 176.1 | -24.5 | 34.6 | 0 | 0 | 0 | 112.1 | A83 F84 H85 | P81-A83 VanDerWaalsContact C-N 3.29Å; P81-A83 PolarHBondContact O-N 3.24Å; P81-F84 HydrophobicContact CB-CD2 4.02Å; P81-F84 PolarHBondContact O-N 2.85Å; P81-H85 PolarHBondContact O-N 3.38Å | ||
| 82 | A | 91.4 | Very high | 94.3 | Very high | 81 Ų | 81 | 81.4 Ų | 81.4 | 67% | 0.669 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -56.4 | -39.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.4 | S80 F84 H85 | S80-A82 PolarHBondContact O-N 2.91Å; A82-F84 PolarHBondContact O-N 3.34Å; A82-H85 PolarHBondContact O-N 3.27Å |
| 83 | A | 93.7 | Very high | 94.4 | Very high | 81 Ų | 81 | 85.3 Ų | 85.3 | 67% | 0.669 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -62.7 | -22.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P81 | P81-A83 VanDerWaalsContact C-N 3.29Å; P81-A83 PolarHBondContact O-N 3.24Å |
| 84 | F | 95.3 | Very high | 94.5 | Very high | 123 Ų | 123 | 84 Ų | 84 | 54% | 0.539 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -112 | 6.5 | -177.6 | -58.7 | -53.7 | 0 | 0 | 0 | 113.6 | P81 A82 G86 Q87 I88 | P81-F84 HydrophobicContact CB-CD2 4.02Å; P81-F84 PolarHBondContact O-N 2.85Å; A82-F84 PolarHBondContact O-N 3.34Å; F84-G86 PolarHBondContact O-N 2.94Å; F84-Q87 VanDerWaalsContact C-OE1 3.29Å; F84-Q87 VanDerWaalsContact CA-OE1 3.28Å; F84-Q87 PolarHBondContact O-N 3.25Å; F84-Q87 VanDerWaalsContact O-N 3.11Å; F84-Q87 PolarHBondContact O-OE1 3.45Å; F84-I88 HydrophobicContact CB-CD1 4.2Å; F84-I88 HydrophobicContact CB-CG1 4.48Å; F84-I88 VanDerWaalsContact O-CG1 3.3Å; F84-I88 WeakPolarHBondContact O-CG1 3.19Å; F84-I88 PolarHBondContact O-N 2.88Å |
| 85 | H | 94.8 | Very high | 94.7 | Very high | 20 Ų | 20 | 87.5 Ų | 87.5 | 9% | 0.093 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -63 | -28.2 | -175.2 | -176.6 | 62.9 | 0 | 0 | 0 | 113.6 | P76 P77 P81 A82 R89 | P76-H85 HydrophobicContact CB-CB 4.28Å; P77-H85 VanDerWaalsContact CD-CE1 3.43Å; P77-H85 WeakPolarHBondContact CD-CE1 3.29Å; P81-H85 PolarHBondContact O-N 3.38Å; A82-H85 PolarHBondContact O-N 3.27Å; H85-R89 PolarHBondContact CD2-NE 3.37Å; H85-R89 VanDerWaalsContact NE2-CD 3.3Å; H85-R89 WeakPolarHBondContact NE2-CD 3.43Å; H85-R89 VanDerWaalsContact NE2-CZ 3.27Å; H85-R89 PolarHBondContact NE2-NE 2.93Å; H85-R89 PolarHBondContact NE2-NH1 3.06Å; H85-R89 VanDerWaalsContact NE2-NH1 3.11Å; H85-R89 WeakPolarHBondContact O-CB 3.31Å; H85-R89 WeakPolarHBondContact O-CG 3.19Å; H85-R89 PolarHBondContact O-N 3.18Å; H85-R89 VanDerWaalsContact O-N 3.1Å |
| 86 | G | 94.4 | Very high | 94.8 | Very high | 41 Ų | 41 | 88.1 Ų | 88.1 | 42% | 0.423 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.8 | -47.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F84 R89 S90 | F84-G86 PolarHBondContact O-N 2.94Å; G86-R89 PolarHBondContact O-N 3.21Å; G86-S90 WeakPolarHBondContact O-CB 3.45Å; G86-S90 PolarHBondContact O-N 2.93Å |
| 87 | Q | 96.8 | Very high | 95.1 | Very high | 115 Ų | 115 | 90.6 Ų | 90.6 | 54% | 0.537 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 179.5 | -62.4 | 83.3 | -19.4 | 0 | 0 | 111.1 | F84 S90 L91 | F84-Q87 VanDerWaalsContact C-OE1 3.29Å; F84-Q87 VanDerWaalsContact CA-OE1 3.28Å; F84-Q87 PolarHBondContact O-N 3.25Å; F84-Q87 VanDerWaalsContact O-N 3.11Å; F84-Q87 PolarHBondContact O-OE1 3.45Å; Q87-S90 PolarHBondContact O-N 3.16Å; Q87-L91 VanDerWaalsContact O-CB 3.28Å; Q87-L91 WeakPolarHBondContact O-CB 3.41Å; Q87-L91 PolarHBondContact O-N 3.4Å |
| 88 | I | 95.2 | Very high | 95.3 | Very high | 46 Ų | 46 | 92.4 Ų | 92.4 | 24% | 0.236 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -59.6 | -53.6 | 174.6 | -69.4 | 165.5 | 0 | 0 | 0 | 110 | F84 S90 L91 E92 | F84-I88 HydrophobicContact CB-CD1 4.2Å; F84-I88 HydrophobicContact CB-CG1 4.48Å; F84-I88 VanDerWaalsContact O-CG1 3.3Å; F84-I88 WeakPolarHBondContact O-CG1 3.19Å; F84-I88 PolarHBondContact O-N 2.88Å; I88-S90 VanDerWaalsContact C-N 3.29Å; I88-S90 PolarHBondContact O-N 3.29Å; I88-L91 PolarHBondContact O-N 3.45Å; I88-L91 VanDerWaalsContact O-N 3.15Å; I88-E92 HydrophobicContact CG2-CG 4.38Å; I88-E92 VanDerWaalsContact CG2-OE1 3.32Å; I88-E92 WeakPolarHBondContact CG2-OE1 3.41Å; I88-E92 WeakPolarHBondContact O-CB 3.24Å; I88-E92 VanDerWaalsContact O-CG 3.28Å; I88-E92 WeakPolarHBondContact O-CG 3.4Å; I88-E92 PolarHBondContact O-N 3.48Å |
| 89 | R | 95.7 | Very high | 95.7 | Very high | 142 Ų | 142 | 95.3 Ų | 95.3 | 54% | 0.536 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.6 | -34.9 | 177.1 | -71.9 | -173 | -60.5 | -164.9 | 9.3 | 113.5 | H85 G86 E92 R93 | H85-R89 PolarHBondContact CD2-NE 3.37Å; H85-R89 VanDerWaalsContact NE2-CD 3.3Å; H85-R89 WeakPolarHBondContact NE2-CD 3.43Å; H85-R89 VanDerWaalsContact NE2-CZ 3.27Å; H85-R89 PolarHBondContact NE2-NE 2.93Å; H85-R89 PolarHBondContact NE2-NH1 3.06Å; H85-R89 VanDerWaalsContact NE2-NH1 3.11Å; H85-R89 WeakPolarHBondContact O-CB 3.31Å; H85-R89 WeakPolarHBondContact O-CG 3.19Å; H85-R89 PolarHBondContact O-N 3.18Å; H85-R89 VanDerWaalsContact O-N 3.1Å; G86-R89 PolarHBondContact O-N 3.21Å; R89-E92 WeakPolarHBondContact CA-OE2 3.39Å; R89-R93 VanDerWaalsContact O-CB 3.32Å; R89-R93 WeakPolarHBondContact O-CB 3.47Å; R89-R93 PolarHBondContact O-N 3.16Å |
| 90 | S | 97.8 | Very high | 96.1 | Very high | 76 Ų | 76 | 91.1 Ų | 91.1 | 53% | 0.531 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.9 | -43.7 | 175 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | G86 Q87 I88 R93 A94 | G86-S90 WeakPolarHBondContact O-CB 3.45Å; G86-S90 PolarHBondContact O-N 2.93Å; Q87-S90 PolarHBondContact O-N 3.16Å; I88-S90 VanDerWaalsContact C-N 3.29Å; I88-S90 PolarHBondContact O-N 3.29Å; S90-R93 WeakPolarHBondContact O-CB 3.26Å; S90-R93 PolarHBondContact O-N 3.44Å; S90-A94 WeakPolarHBondContact O-CB 3.37Å; S90-A94 PolarHBondContact O-N 2.96Å |
| 91 | L | 97.2 | Very high | 96.5 | Very high | 89 Ų | 89 | 94.3 Ų | 94.3 | 47% | 0.466 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.5 | -36.9 | 177.3 | 177.5 | 147.5 | 0 | 0 | 0 | 112.4 | Q87 I88 A94 R95 | Q87-L91 VanDerWaalsContact O-CB 3.28Å; Q87-L91 WeakPolarHBondContact O-CB 3.41Å; Q87-L91 PolarHBondContact O-N 3.4Å; I88-L91 PolarHBondContact O-N 3.45Å; I88-L91 VanDerWaalsContact O-N 3.15Å; L91-A94 PolarHBondContact O-N 2.8Å; L91-R95 HydrophobicContact CD2-CG 4.49Å; L91-R95 WeakPolarHBondContact O-CB 3.32Å; L91-R95 VanDerWaalsContact O-CG 3.29Å; L91-R95 WeakPolarHBondContact O-CG 3.4Å; L91-R95 PolarHBondContact O-N 2.9Å |
| 92 | E | 96.4 | Very high | 96.8 | Very high | 97 Ų | 97 | 96.7 Ų | 96.7 | 45% | 0.453 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 171.5 | -71.9 | 165 | 165.1 | 0 | 0 | 111.6 | I88 R89 T96 | I88-E92 HydrophobicContact CG2-CG 4.38Å; I88-E92 VanDerWaalsContact CG2-OE1 3.32Å; I88-E92 WeakPolarHBondContact CG2-OE1 3.41Å; I88-E92 WeakPolarHBondContact O-CB 3.24Å; I88-E92 VanDerWaalsContact O-CG 3.28Å; I88-E92 WeakPolarHBondContact O-CG 3.4Å; I88-E92 PolarHBondContact O-N 3.48Å; R89-E92 WeakPolarHBondContact CA-OE2 3.39Å; E92-T96 WeakPolarHBondContact O-CB 3.32Å; E92-T96 PolarHBondContact O-N 3.07Å; E92-T96 PolarHBondContact O-OG1 3.4Å |
| 93 | R | 98.3 | Very high | 97.1 | Very high | 188 Ų | 188 | 98 Ų | 98 | 71% | 0.709 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.6 | -51.3 | 171.1 | -178.2 | -176.4 | -66.7 | -169.9 | -2.4 | 110.9 | R89 S90 R95 T96 E97 | R89-R93 VanDerWaalsContact O-CB 3.32Å; R89-R93 WeakPolarHBondContact O-CB 3.47Å; R89-R93 PolarHBondContact O-N 3.16Å; S90-R93 WeakPolarHBondContact O-CB 3.26Å; S90-R93 PolarHBondContact O-N 3.44Å; R93-R95 PolarHBondContact O-N 2.93Å; R93-T96 CarbonylContact O-C 3.44Å; R93-T96 WeakPolarHBondContact O-CB 3.28Å; R93-T96 PolarHBondContact O-N 2.83Å; R93-T96 VanDerWaalsContact O-N 3.12Å; R93-E97 VanDerWaalsContact O-CB 3.29Å; R93-E97 WeakPolarHBondContact O-CB 3.42Å; R93-E97 PolarHBondContact O-N 2.89Å |
| 94 | A | 98.1 | Very high | 97.3 | Very high | 39 Ų | 39 | 99.6 Ų | 99.6 | 32% | 0.322 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S90 L91 N98 | S90-A94 WeakPolarHBondContact O-CB 3.37Å; S90-A94 PolarHBondContact O-N 2.96Å; L91-A94 PolarHBondContact O-N 2.8Å; A94-N98 VanDerWaalsContact O-CB 3.32Å; A94-N98 WeakPolarHBondContact O-CB 3.4Å; A94-N98 VanDerWaalsContact O-CG 3.28Å; A94-N98 PolarHBondContact O-N 3.43Å; A94-N98 PolarHBondContact O-ND2 3.29Å |
| 95 | R | 98.4 | Very high | 97.4 | Very high | 172 Ų | 172 | 103.3 Ų | 103.3 | 65% | 0.649 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.5 | -48.9 | 170.2 | -79.6 | 175.6 | 175 | -179.3 | 0.4 | 111.3 | L91 R93 N98 F99 | L91-R95 HydrophobicContact CD2-CG 4.49Å; L91-R95 WeakPolarHBondContact O-CB 3.32Å; L91-R95 VanDerWaalsContact O-CG 3.29Å; L91-R95 WeakPolarHBondContact O-CG 3.4Å; L91-R95 PolarHBondContact O-N 2.9Å; R93-R95 PolarHBondContact O-N 2.93Å; R95-N98 PolarHBondContact O-N 2.86Å; R95-F99 VanDerWaalsContact O-CB 3.26Å; R95-F99 WeakPolarHBondContact O-CB 3.45Å; R95-F99 PolarHBondContact O-N 2.57Å |
| 96 | T | 98.3 | Very high | 97.6 | Very high | 90 Ų | 90 | 105.5 Ų | 105.5 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.6 | -42 | 179.8 | -54 | 0 | 0 | 0 | 0 | 111.5 | E92 R93 F99 L100 | E92-T96 WeakPolarHBondContact O-CB 3.32Å; E92-T96 PolarHBondContact O-N 3.07Å; E92-T96 PolarHBondContact O-OG1 3.4Å; R93-T96 CarbonylContact O-C 3.44Å; R93-T96 WeakPolarHBondContact O-CB 3.28Å; R93-T96 PolarHBondContact O-N 2.83Å; R93-T96 VanDerWaalsContact O-N 3.12Å; T96-F99 PolarHBondContact O-N 3.14Å; T96-L100 VanDerWaalsContact O-CB 3.27Å; T96-L100 WeakPolarHBondContact O-CB 3.3Å; T96-L100 PolarHBondContact O-N 2.83Å |
| 97 | E | 98.4 | Very high | 97.8 | Very high | 88 Ų | 88 | 113.2 Ų | 113.2 | 41% | 0.411 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 177.3 | -170 | -168.7 | 137.3 | 0 | 0 | 111.6 | R93 L100 K101 | R93-E97 VanDerWaalsContact O-CB 3.29Å; R93-E97 WeakPolarHBondContact O-CB 3.42Å; R93-E97 PolarHBondContact O-N 2.89Å; E97-L100 PolarHBondContact O-N 2.82Å; E97-K101 HydrophobicContact CG-CD 4.16Å; E97-K101 VanDerWaalsContact O-CB 3.22Å; E97-K101 WeakPolarHBondContact O-CB 3.49Å; E97-K101 VanDerWaalsContact O-CG 3.23Å; E97-K101 WeakPolarHBondContact O-CG 3.26Å; E97-K101 PolarHBondContact O-N 2.89Å; E97-K101 VanDerWaalsContact OE1-CE 3.28Å; E97-K101 WeakPolarHBondContact OE1-CE 3.36Å; E97-K101 IonicContact OE1-NZ 3.28Å; E97-K101 PolarHBondContact OE1-NZ 3.47Å |
| 98 | N | 98.3 | Very high | 97.8 | Very high | 101 Ų | 101 | 110.6 Ų | 110.6 | 54% | 0.54 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 176.7 | -74.5 | -29.4 | 0 | 0 | 0 | 112.3 | A94 R95 K101 H102 | A94-N98 VanDerWaalsContact O-CB 3.32Å; A94-N98 WeakPolarHBondContact O-CB 3.4Å; A94-N98 VanDerWaalsContact O-CG 3.28Å; A94-N98 PolarHBondContact O-N 3.43Å; A94-N98 PolarHBondContact O-ND2 3.29Å; R95-N98 PolarHBondContact O-N 2.86Å; N98-K101 PolarHBondContact O-N 2.96Å; N98-H102 PolarHBondContact O-N 3.49Å |
| 99 | F | 98.6 | Very high | 97.9 | Very high | 128 Ų | 128 | 114.1 Ų | 114.1 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.7 | -43.5 | 173 | 174.7 | -104.7 | 0 | 0 | 0 | 112.1 | R95 T96 H102 K103 | R95-F99 VanDerWaalsContact O-CB 3.26Å; R95-F99 WeakPolarHBondContact O-CB 3.45Å; R95-F99 PolarHBondContact O-N 2.57Å; T96-F99 PolarHBondContact O-N 3.14Å; F99-H102 PolarHBondContact O-N 2.97Å; F99-K103 HydrophobicContact CD1-CD 4.34Å; F99-K103 HydrophobicContact CE1-CD 3.78Å; F99-K103 HydrophobicContact CE2-CD 4.34Å; F99-K103 HydrophobicContact CZ-CD 3.81Å; F99-K103 PolarHBondContact O-N 2.94Å |
| 100 | L | 98.7 | Very high | 97.9 | Very high | 95 Ų | 95 | 113 Ų | 113 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.9 | -41 | 177.7 | -168 | 65.7 | 0 | 0 | 0 | 111.7 | T96 E97 H102 K103 I104 | T96-L100 VanDerWaalsContact O-CB 3.27Å; T96-L100 WeakPolarHBondContact O-CB 3.3Å; T96-L100 PolarHBondContact O-N 2.83Å; E97-L100 PolarHBondContact O-N 2.82Å; L100-H102 PolarHBondContact O-N 3.25Å; L100-K103 PolarHBondContact O-N 2.91Å; L100-I104 HydrophobicContact CD1-CD1 4.43Å; L100-I104 HydrophobicContact CD1-CG1 4.47Å; L100-I104 HydrophobicContact CD2-CD1 4.4Å; L100-I104 HydrophobicContact CG-CD1 3.85Å; L100-I104 HydrophobicContact CG-CG1 4.31Å; L100-I104 WeakPolarHBondContact O-CB 3.46Å; L100-I104 VanDerWaalsContact O-CG1 3.3Å; L100-I104 WeakPolarHBondContact O-CG1 3.44Å; L100-I104 PolarHBondContact O-N 3.39Å |
| 101 | K | 98.5 | Very high | 97.8 | Very high | 92 Ų | 92 | 112.1 Ų | 112.1 | 40% | 0.4 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.6 | -31.5 | 170.5 | -81.3 | 170.5 | 167.4 | 173.2 | 0 | 112.6 | E97 N98 R105 | E97-K101 HydrophobicContact CG-CD 4.16Å; E97-K101 VanDerWaalsContact O-CB 3.22Å; E97-K101 WeakPolarHBondContact O-CB 3.49Å; E97-K101 VanDerWaalsContact O-CG 3.23Å; E97-K101 WeakPolarHBondContact O-CG 3.26Å; E97-K101 PolarHBondContact O-N 2.89Å; E97-K101 VanDerWaalsContact OE1-CE 3.28Å; E97-K101 WeakPolarHBondContact OE1-CE 3.36Å; E97-K101 IonicContact OE1-NZ 3.28Å; E97-K101 PolarHBondContact OE1-NZ 3.47Å; N98-K101 PolarHBondContact O-N 2.96Å; K101-R105 WeakPolarHBondContact O-CG 3.4Å; K101-R105 PolarHBondContact O-NH1 3.35Å |
| 102 | H | 98.3 | Very high | 97.8 | Very high | 126 Ų | 126 | 111.5 Ų | 111.5 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -74.1 | -53.7 | 170.8 | 179.3 | 67.6 | 0 | 0 | 0 | 110.8 | N98 F99 L100 I104 R105 S106 | N98-H102 PolarHBondContact O-N 3.49Å; F99-H102 PolarHBondContact O-N 2.97Å; L100-H102 PolarHBondContact O-N 3.25Å; H102-I104 VanDerWaalsContact C-N 3.28Å; H102-I104 PolarHBondContact O-N 2.93Å; H102-R105 PolarHBondContact O-N 3.5Å; H102-S106 PolarHBondContact O-N 3.43Å; H102-S106 PolarHBondContact O-OG 2.98Å |
| 103 | K | 98.5 | Very high | 97.9 | Very high | 110 Ų | 110 | 109 Ų | 109 | 48% | 0.478 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -29.3 | -179 | -80.7 | -170.5 | 169.4 | -67.4 | 0 | 115.3 | F99 L100 S106 R107 | F99-K103 HydrophobicContact CD1-CD 4.34Å; F99-K103 HydrophobicContact CE1-CD 3.78Å; F99-K103 HydrophobicContact CE2-CD 4.34Å; F99-K103 HydrophobicContact CZ-CD 3.81Å; F99-K103 PolarHBondContact O-N 2.94Å; L100-K103 PolarHBondContact O-N 2.91Å; K103-S106 CarbonylContact O-C 3.59Å; K103-R107 PolarHBondContact O-N 3.41Å |
| 104 | I | 98.1 | Very high | 97.8 | Very high | 114 Ų | 114 | 101 Ų | 101 | 59% | 0.585 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -71.7 | -38.5 | 175.2 | -72.2 | 169.3 | 0 | 0 | 0 | 111 | L100 H102 R107 | L100-I104 HydrophobicContact CD1-CD1 4.43Å; L100-I104 HydrophobicContact CD1-CG1 4.47Å; L100-I104 HydrophobicContact CD2-CD1 4.4Å; L100-I104 HydrophobicContact CG-CD1 3.85Å; L100-I104 HydrophobicContact CG-CG1 4.31Å; L100-I104 WeakPolarHBondContact O-CB 3.46Å; L100-I104 VanDerWaalsContact O-CG1 3.3Å; L100-I104 WeakPolarHBondContact O-CG1 3.44Å; L100-I104 PolarHBondContact O-N 3.39Å; H102-I104 VanDerWaalsContact C-N 3.28Å; H102-I104 PolarHBondContact O-N 2.93Å; I104-R107 VanDerWaalsContact O-CB 3.31Å; I104-R107 WeakPolarHBondContact O-CB 3.35Å |
| 105 | R | 97.8 | Very high | 97.7 | Very high | 201 Ų | 201 | 107.1 Ų | 107.1 | 76% | 0.758 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -72.3 | -38.3 | 175.5 | -67.7 | -177.9 | -174.4 | 104.2 | -15.6 | 111.9 | K101 H102 R107 | K101-R105 WeakPolarHBondContact O-CG 3.4Å; K101-R105 PolarHBondContact O-NH1 3.35Å; H102-R105 PolarHBondContact O-N 3.5Å; R105-R107 VanDerWaalsContact C-N 3.25Å; R105-R107 PolarHBondContact O-N 2.73Å |
| 106 | S | 97.7 | Very high | 97.7 | Very high | 66 Ų | 66 | 104.3 Ų | 104.3 | 46% | 0.462 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 31.8 | 176.3 | 77.7 | 0 | 0 | 0 | 0 | 112.6 | H102 K103 P108 | H102-S106 PolarHBondContact O-N 3.43Å; H102-S106 PolarHBondContact O-OG 2.98Å; K103-S106 CarbonylContact O-C 3.59Å; S106-P108 WeakPolarHBondContact O-CD 3.44Å |
| 107 | R | 98.1 | Very high | 97.5 | Very high | 202 Ų | 202 | 107.6 Ų | 107.6 | 76% | 0.762 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -84.2 | 119.5 | -177 | -177.1 | 179 | -179.9 | -129.6 | -0.3 | 109.5 | K103 I104 R105 | K103-R107 PolarHBondContact O-N 3.41Å; I104-R107 VanDerWaalsContact O-CB 3.31Å; I104-R107 WeakPolarHBondContact O-CB 3.35Å; R105-R107 VanDerWaalsContact C-N 3.25Å; R105-R107 PolarHBondContact O-N 2.73Å |
| 108 | P | 97.9 | Very high | 97.4 | Very high | 60 Ų | 60 | 108.5 Ų | 108.5 | 39% | 0.39 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 144.4 | 175 | -26.6 | 36.8 | 0 | 0 | 0 | 112.3 | S106 E112 L113 | S106-P108 WeakPolarHBondContact O-CD 3.44Å; P108-E112 HydrophobicContact CB-CG 4.43Å; P108-L113 HydrophobicContact CB-CD2 3.93Å; P108-L113 HydrophobicContact CB-CG 4.03Å; P108-L113 HydrophobicContact CG-CD2 4.44Å |
| 109 | E | 97.4 | Very high | 97.3 | Very high | 121 Ų | 121 | 106.9 Ų | 106.9 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 161.4 | 175.7 | -157.6 | -97.6 | 99.3 | 0 | 0 | 110.4 | A111 E112 L113 | E109-A111 VanDerWaalsContact C-N 3.35Å; E109-A111 PolarHBondContact O-N 2.89Å; E109-A111 PolarHBondContact OE1-N 3.11Å; E109-A111 VanDerWaalsContact OE2-CB 3.24Å; E109-A111 WeakPolarHBondContact OE2-CB 3.31Å; E109-E112 PolarHBondContact O-N 2.84Å; E109-L113 PolarHBondContact O-N 3.22Å |
| 110 | R | 95.5 | Very high | 97 | Very high | 119 Ų | 119 | 104.1 Ų | 104.1 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 179.9 | -176.1 | -178.8 | -178.5 | -92.8 | 1.1 | 111 | E112 L113 V114 L119 T122 | R110-E112 VanDerWaalsContact C-N 3.26Å; R110-E112 PolarHBondContact O-N 2.96Å; R110-L113 PolarHBondContact O-N 3.05Å; R110-V114 HydrophobicContact CG-CG2 4.45Å; R110-V114 WeakPolarHBondContact O-CG2 3.3Å; R110-V114 PolarHBondContact O-N 2.87Å; R110-L119 HydrophobicContact CG-CD1 4.13Å; R110-T122 PolarHBondContact NH2-O 3Å |
| 111 | A | 95.9 | Very high | 96.6 | Very high | 57 Ų | 57 | 107.3 Ų | 107.3 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -36.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E109 V114 R115 | E109-A111 VanDerWaalsContact C-N 3.35Å; E109-A111 PolarHBondContact O-N 2.89Å; E109-A111 PolarHBondContact OE1-N 3.11Å; E109-A111 VanDerWaalsContact OE2-CB 3.24Å; E109-A111 WeakPolarHBondContact OE2-CB 3.31Å; A111-V114 PolarHBondContact O-N 3.38Å; A111-R115 VanDerWaalsContact O-CB 3.31Å; A111-R115 WeakPolarHBondContact O-CB 3.45Å; A111-R115 PolarHBondContact O-N 3.23Å |
| 112 | E | 97 | Very high | 96 | Very high | 75 Ų | 75 | 103.6 Ų | 103.6 | 35% | 0.35 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.6 | -45.5 | 174.2 | 174.8 | 159.3 | -117.2 | 0 | 0 | 112.5 | P108 E109 R110 V114 R115 M116 | P108-E112 HydrophobicContact CB-CG 4.43Å; E109-E112 PolarHBondContact O-N 2.84Å; R110-E112 VanDerWaalsContact C-N 3.26Å; R110-E112 PolarHBondContact O-N 2.96Å; E112-V114 PolarHBondContact O-N 3.19Å; E112-R115 WeakPolarHBondContact O-CB 3.16Å; E112-R115 PolarHBondContact O-N 3.47Å; E112-R115 IonicContact OE1-CZ 2.79Å; E112-R115 IonicContact OE1-NH2 2.81Å; E112-R115 PolarHBondContact OE1-NH2 3.37Å; E112-M116 WeakPolarHBondContact O-CB 3.42Å; E112-M116 WeakPolarHBondContact O-CG 3.41Å; E112-M116 PolarHBondContact O-N 3.25Å |
| 113 | L | 97.4 | Very high | 95.3 | Very high | 45 Ų | 45 | 101.9 Ų | 101.9 | 24% | 0.236 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -63.8 | -30.4 | 175.9 | -65.8 | 175.6 | 0 | 0 | 0 | 112.4 | P108 E109 R110 H117 I118 L119 | P108-L113 HydrophobicContact CB-CD2 3.93Å; P108-L113 HydrophobicContact CB-CG 4.03Å; P108-L113 HydrophobicContact CG-CD2 4.44Å; E109-L113 PolarHBondContact O-N 3.22Å; R110-L113 PolarHBondContact O-N 3.05Å; L113-H117 PolarHBondContact O-N 3.29Å; L113-I118 HydrophobicContact CB-CB 4.44Å; L113-I118 HydrophobicContact CD2-CB 4.32Å; L113-I118 HydrophobicContact CD2-CD1 3.89Å; L113-I118 HydrophobicContact CD2-CG2 4.22Å; L113-I118 WeakPolarHBondContact O-CA 3.47Å; L113-I118 WeakPolarHBondContact O-CB 3.5Å; L113-I118 PolarHBondContact O-N 2.82Å; L113-L119 HydrophobicContact CB-CB 4.22Å; L113-L119 HydrophobicContact CB-CD1 3.82Å; L113-L119 HydrophobicContact CB-CG 3.88Å; L113-L119 HydrophobicContact CD1-CD1 3.84Å; L113-L119 HydrophobicContact CD1-CG 4.35Å; L113-L119 PolarHBondContact O-N 3.01Å |
| 114 | V | 96.2 | Very high | 94.8 | Very high | 21 Ų | 21 | 98.1 Ų | 98.1 | 13% | 0.127 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -71.6 | -46.7 | 172.3 | 170.3 | 0 | 0 | 0 | 0 | 111.5 | R110 A111 E112 M116 H117 L119 E121 | R110-V114 HydrophobicContact CG-CG2 4.45Å; R110-V114 WeakPolarHBondContact O-CG2 3.3Å; R110-V114 PolarHBondContact O-N 2.87Å; A111-V114 PolarHBondContact O-N 3.38Å; E112-V114 PolarHBondContact O-N 3.19Å; V114-M116 PolarHBondContact O-N 3.37Å; V114-H117 WeakPolarHBondContact O-CA 3.46Å; V114-H117 PolarHBondContact O-N 3Å; V114-L119 WeakPolarHBondContact CA-O 3.2Å; V114-L119 HydrophobicContact CG2-CB 3.87Å; V114-E121 HydrophobicContact CG1-CB 3.58Å; V114-E121 HydrophobicContact CG1-CG 4.05Å |
| 115 | R | 96.9 | Very high | 94.5 | Very high | 167 Ų | 167 | 98.6 Ų | 98.6 | 63% | 0.63 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -55.5 | -37.9 | 173.8 | -179.7 | -177.6 | 70.2 | 100.7 | -4 | 112.2 | A111 E112 H117 | A111-R115 VanDerWaalsContact O-CB 3.31Å; A111-R115 WeakPolarHBondContact O-CB 3.45Å; A111-R115 PolarHBondContact O-N 3.23Å; E112-R115 WeakPolarHBondContact O-CB 3.16Å; E112-R115 PolarHBondContact O-N 3.47Å; E112-R115 IonicContact OE1-CZ 2.79Å; E112-R115 IonicContact OE1-NH2 2.81Å; E112-R115 PolarHBondContact OE1-NH2 3.37Å; R115-H117 VanDerWaalsContact C-N 3.28Å; R115-H117 PolarHBondContact O-N 2.98Å; R115-H117 PolarHBondContact O-ND1 3.35Å; R115-H117 VanDerWaalsContact O-ND1 3.16Å |
| 116 | M | 97.4 | Very high | 94.3 | Very high | 113 Ų | 113 | 94 Ų | 94 | 56% | 0.557 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 3.5 | 175.2 | -67.5 | -164.8 | 73 | 0 | 0 | 114.5 | E112 V114 I118 | E112-M116 WeakPolarHBondContact O-CB 3.42Å; E112-M116 WeakPolarHBondContact O-CG 3.41Å; E112-M116 PolarHBondContact O-N 3.25Å; V114-M116 PolarHBondContact O-N 3.37Å; M116-I118 HydrophobicContact CB-CD1 3.81Å; M116-I118 HydrophobicContact CB-CG1 4.02Å; M116-I118 PolarHBondContact O-N 3.28Å; M116-I118 HydrophobicContact SD-CD1 4.34Å |
| 117 | H | 95.5 | Very high | 94.2 | Very high | 159 Ų | 159 | 94.3 Ų | 94.3 | 74% | 0.736 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 25.8 | -177.9 | -59.8 | 70.3 | 0 | 0 | 0 | 114.2 | L113 V114 R115 | L113-H117 PolarHBondContact O-N 3.29Å; V114-H117 WeakPolarHBondContact O-CA 3.46Å; V114-H117 PolarHBondContact O-N 3Å; R115-H117 VanDerWaalsContact C-N 3.28Å; R115-H117 PolarHBondContact O-N 2.98Å; R115-H117 PolarHBondContact O-ND1 3.35Å; R115-H117 VanDerWaalsContact O-ND1 3.16Å |
| 118 | I | 96 | Very high | 94.1 | Very high | 107 Ų | 107 | 89.1 Ų | 89.1 | 55% | 0.549 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -85.6 | -36.6 | 173.7 | -61.5 | 167 | 0 | 0 | 0 | 110 | L113 M116 | L113-I118 HydrophobicContact CB-CB 4.44Å; L113-I118 HydrophobicContact CD2-CB 4.32Å; L113-I118 HydrophobicContact CD2-CD1 3.89Å; L113-I118 HydrophobicContact CD2-CG2 4.22Å; L113-I118 WeakPolarHBondContact O-CA 3.47Å; L113-I118 WeakPolarHBondContact O-CB 3.5Å; L113-I118 PolarHBondContact O-N 2.82Å; M116-I118 HydrophobicContact CB-CD1 3.81Å; M116-I118 HydrophobicContact CB-CG1 4.02Å; M116-I118 PolarHBondContact O-N 3.28Å; M116-I118 HydrophobicContact SD-CD1 4.34Å |
| 119 | L | 95.1 | Very high | 93.9 | Very high | 67 Ų | 67 | 88 Ų | 88 | 35% | 0.351 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -113.1 | 154.1 | 167.9 | -67.6 | -179.7 | 0 | 0 | 0 | 109.6 | R110 L113 V114 | R110-L119 HydrophobicContact CG-CD1 4.13Å; L113-L119 HydrophobicContact CB-CB 4.22Å; L113-L119 HydrophobicContact CB-CD1 3.82Å; L113-L119 HydrophobicContact CB-CG 3.88Å; L113-L119 HydrophobicContact CD1-CD1 3.84Å; L113-L119 HydrophobicContact CD1-CG 4.35Å; L113-L119 PolarHBondContact O-N 3.01Å; V114-L119 WeakPolarHBondContact CA-O 3.2Å; V114-L119 HydrophobicContact CG2-CB 3.87Å |
| 120 | Q | 93.1 | Very high | 93.8 | Very high | 70 Ų | 70 | 86 Ų | 86 | 33% | 0.327 | 47% | 0.47 | S | S | . | . | trans | -86.5 | 139.2 | 179.9 | -60.8 | -63.3 | 89.1 | 0 | 0 | 111.2 | T122 M133 | Q120-T122 VanDerWaalsContact C-N 3.31Å; Q120-T122 PolarHBondContact O-N 3.41Å; Q120-M133 HydrophobicContact CB-CG 4.41Å; Q120-M133 HydrophobicContact CB-SD 4.34Å; Q120-M133 HydrophobicContact CG-CG 3.88Å; Q120-M133 HydrophobicContact CG-SD 4.17Å; Q120-M133 PolarHBondContact NE2-SD 3.01Å | ||
| 121 | E | 90.1 | Very high | 93.8 | Very high | 162 Ų | 162 | 85 Ų | 85 | 76% | 0.757 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -69 | 88.9 | 170.9 | -168.4 | 175 | -141.8 | 0 | 0 | 109.5 | V114 | V114-E121 HydrophobicContact CG1-CB 3.58Å; V114-E121 HydrophobicContact CG1-CG 4.05Å |
| 122 | T | 85.4 | Confident | 93.8 | Very high | 13 Ų | 13 | 86.2 Ų | 86.2 | 8% | 0.08 | 47% | 0.474 | C | S | . | . | trans | -154.1 | 130.7 | -170.5 | -61 | 0 | 0 | 0 | 0 | 109.4 | R110 Q120 A124 Q129 M133 | R110-T122 PolarHBondContact NH2-O 3Å; Q120-T122 VanDerWaalsContact C-N 3.31Å; Q120-T122 PolarHBondContact O-N 3.41Å; T122-A124 HydrophobicContact CG2-CB 3.84Å; T122-Q129 HydrophobicContact CG2-CG 3.94Å; T122-M133 WeakPolarHBondContact OG1-CE 3.15Å | ||
| 123 | G | 84.9 | Confident | 93.7 | Very high | 90 Ų | 90 | 83.8 Ų | 83.8 | 93% | 0.928 | 46% | 0.462 | S | S | * | . | trans | -85.9 | -6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 124 | A | 87.2 | Confident | 93.6 | Very high | 31 Ų | 31 | 89.6 Ų | 89.6 | 26% | 0.256 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -77.8 | 158.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T122 L128 Q129 | T122-A124 HydrophobicContact CG2-CB 3.84Å; A124-L128 HydrophobicContact CB-CB 4.48Å; A124-Q129 PolarHBondContact O-NE2 2.71Å |
| 125 | E | 92.1 | Very high | 93.7 | Very high | 124 Ų | 124 | 92.6 Ų | 92.6 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | trans | -50.5 | 140.2 | 175.5 | -167.2 | -164.6 | 131.2 | 0 | 0 | 112.2 | S127 L128 Q129 | E125-S127 PolarHBondContact O-N 2.75Å; E125-S127 VanDerWaalsContact OE1-CB 3.32Å; E125-S127 WeakPolarHBondContact OE1-CB 3.22Å; E125-S127 PolarHBondContact OE1-OG 3.42Å; E125-L128 HydrophobicContact CB-CG 4.47Å; E125-L128 PolarHBondContact O-N 2.93Å; E125-Q129 PolarHBondContact O-N 2.69Å | ||
| 126 | P | 94 | Very high | 93.6 | Very high | 105 Ų | 105 | 90.9 Ų | 90.9 | 68% | 0.682 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | -33.5 | 178.8 | -32.4 | 37 | 0 | 0 | 0 | 116.1 | L128 | P126-L128 VanDerWaalsContact C-N 3.33Å; P126-L128 PolarHBondContact O-N 2.79Å |
| 127 | S | 95.4 | Very high | 93.6 | Very high | 72 Ų | 72 | 94.4 Ų | 94.4 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -34.2 | 177 | 63.1 | 0 | 0 | 0 | 0 | 113.3 | E125 | E125-S127 PolarHBondContact O-N 2.75Å; E125-S127 VanDerWaalsContact OE1-CB 3.32Å; E125-S127 WeakPolarHBondContact OE1-CB 3.22Å; E125-S127 PolarHBondContact OE1-OG 3.42Å |
| 128 | L | 95.3 | Very high | 93.8 | Very high | 94 Ų | 94 | 88.9 Ų | 88.9 | 49% | 0.492 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -19.1 | -174.7 | -59.5 | -178 | 0 | 0 | 0 | 113.2 | A124 E125 P126 A130 T131 Q132 | A124-L128 HydrophobicContact CB-CB 4.48Å; E125-L128 HydrophobicContact CB-CG 4.47Å; E125-L128 PolarHBondContact O-N 2.93Å; P126-L128 VanDerWaalsContact C-N 3.33Å; P126-L128 PolarHBondContact O-N 2.79Å; L128-A130 VanDerWaalsContact C-N 3.29Å; L128-A130 PolarHBondContact O-N 3.27Å; L128-T131 PolarHBondContact O-N 3.03Å; L128-T131 VanDerWaalsContact O-N 3.14Å; L128-Q132 WeakPolarHBondContact O-CB 3.3Å; L128-Q132 PolarHBondContact O-N 2.91Å |
| 129 | Q | 94.7 | Very high | 93.9 | Very high | 36 Ų | 36 | 91.7 Ų | 91.7 | 17% | 0.168 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -57.2 | -38.8 | -173.5 | -72.3 | 173.2 | 19.3 | 0 | 0 | 113 | T122 A124 E125 M133 | T122-Q129 HydrophobicContact CG2-CG 3.94Å; A124-Q129 PolarHBondContact O-NE2 2.71Å; E125-Q129 PolarHBondContact O-N 2.69Å; Q129-M133 WeakPolarHBondContact O-CB 3.49Å; Q129-M133 VanDerWaalsContact O-CG 3.31Å; Q129-M133 WeakPolarHBondContact O-CG 3.23Å; Q129-M133 PolarHBondContact O-N 2.98Å |
| 130 | A | 94.5 | Very high | 94 | Very high | 78 Ų | 78 | 93.4 Ų | 93.4 | 65% | 0.645 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.8 | -49 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L128 M133 K134 | L128-A130 VanDerWaalsContact C-N 3.29Å; L128-A130 PolarHBondContact O-N 3.27Å; A130-M133 PolarHBondContact O-N 3.34Å; A130-K134 PolarHBondContact O-N 3.06Å |
| 131 | T | 96 | Very high | 94.3 | Very high | 99 Ų | 99 | 92.7 Ų | 92.7 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.8 | -42.7 | 177.6 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | L128 M133 K134 L135 | L128-T131 PolarHBondContact O-N 3.03Å; L128-T131 VanDerWaalsContact O-N 3.14Å; T131-M133 VanDerWaalsContact C-N 3.32Å; T131-M133 PolarHBondContact O-N 2.85Å; T131-K134 PolarHBondContact O-N 2.7Å; T131-L135 WeakPolarHBondContact O-CB 3.45Å; T131-L135 PolarHBondContact O-N 3.37Å |
| 132 | Q | 95.8 | Very high | 94.7 | Very high | 82 Ų | 82 | 90 Ų | 90 | 38% | 0.383 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.2 | -35.8 | 176.7 | -173.4 | 174 | 2.8 | 0 | 0 | 112 | L128 L135 K136 | L128-Q132 WeakPolarHBondContact O-CB 3.3Å; L128-Q132 PolarHBondContact O-N 2.91Å; Q132-L135 PolarHBondContact O-N 3.46Å; Q132-K136 VanDerWaalsContact O-CB 3.26Å; Q132-K136 WeakPolarHBondContact O-CB 3.27Å; Q132-K136 PolarHBondContact O-N 3.17Å |
| 133 | M | 94.5 | Very high | 95.3 | Very high | 24 Ų | 24 | 92.3 Ų | 92.3 | 12% | 0.118 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -71.5 | -37.4 | 173.4 | -73 | -55.3 | 104.3 | 0 | 0 | 112.9 | Q120 T122 Q129 A130 T131 L135 K136 R137 | Q120-M133 HydrophobicContact CB-CG 4.41Å; Q120-M133 HydrophobicContact CB-SD 4.34Å; Q120-M133 HydrophobicContact CG-CG 3.88Å; Q120-M133 HydrophobicContact CG-SD 4.17Å; Q120-M133 PolarHBondContact NE2-SD 3.01Å; T122-M133 WeakPolarHBondContact OG1-CE 3.15Å; Q129-M133 WeakPolarHBondContact O-CB 3.49Å; Q129-M133 VanDerWaalsContact O-CG 3.31Å; Q129-M133 WeakPolarHBondContact O-CG 3.23Å; Q129-M133 PolarHBondContact O-N 2.98Å; A130-M133 PolarHBondContact O-N 3.34Å; T131-M133 VanDerWaalsContact C-N 3.32Å; T131-M133 PolarHBondContact O-N 2.85Å; M133-L135 VanDerWaalsContact C-N 3.33Å; M133-K136 HydrophobicContact CE-CB 4.42Å; M133-K136 HydrophobicContact CE-CD 3.92Å; M133-K136 PolarHBondContact O-N 3.17Å; M133-K136 HydrophobicContact SD-CD 4.27Å; M133-R137 WeakPolarHBondContact O-CB 2.94Å; M133-R137 WeakPolarHBondContact O-CG 3.28Å; M133-R137 PolarHBondContact O-N 2.86Å |
| 134 | K | 96.4 | Very high | 95.9 | Very high | 167 Ų | 167 | 92 Ų | 92 | 73% | 0.726 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.4 | -44.8 | 171 | -170.4 | 175.5 | -179.2 | 179 | 0 | 110.6 | A130 T131 R137 A138 | A130-K134 PolarHBondContact O-N 3.06Å; T131-K134 PolarHBondContact O-N 2.7Å; K134-R137 PolarHBondContact O-N 3.44Å; K134-A138 WeakPolarHBondContact O-CB 3.22Å; K134-A138 PolarHBondContact O-N 3.47Å |
| 135 | L | 96.7 | Very high | 96.4 | Very high | 84 Ų | 84 | 96 Ų | 96 | 44% | 0.44 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 177.6 | -176.4 | 61.5 | 0 | 0 | 0 | 113.3 | T131 Q132 M133 R137 A138 R139 | T131-L135 WeakPolarHBondContact O-CB 3.45Å; T131-L135 PolarHBondContact O-N 3.37Å; Q132-L135 PolarHBondContact O-N 3.46Å; M133-L135 VanDerWaalsContact C-N 3.33Å; L135-R137 VanDerWaalsContact C-N 3.33Å; L135-A138 PolarHBondContact O-N 2.91Å; L135-R139 HydrophobicContact CD1-CG 4.19Å; L135-R139 WeakPolarHBondContact O-CB 3.32Å; L135-R139 WeakPolarHBondContact O-CG 3.3Å; L135-R139 PolarHBondContact O-N 2.81Å |
| 136 | K | 96.4 | Very high | 96.7 | Very high | 131 Ų | 131 | 94.9 Ų | 94.9 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.9 | -39 | 175 | -174 | 177.8 | -178.9 | 179.9 | 0 | 111.1 | Q132 M133 L140 | Q132-K136 VanDerWaalsContact O-CB 3.26Å; Q132-K136 WeakPolarHBondContact O-CB 3.27Å; Q132-K136 PolarHBondContact O-N 3.17Å; M133-K136 HydrophobicContact CE-CB 4.42Å; M133-K136 HydrophobicContact CE-CD 3.92Å; M133-K136 PolarHBondContact O-N 3.17Å; M133-K136 HydrophobicContact SD-CD 4.27Å; K136-L140 VanDerWaalsContact O-CB 3.24Å; K136-L140 WeakPolarHBondContact O-CB 3.38Å; K136-L140 PolarHBondContact O-N 3.02Å; K136-L140 VanDerWaalsContact O-N 3.16Å |
| 137 | R | 97.6 | Very high | 96.9 | Very high | 188 Ų | 188 | 95.8 Ų | 95.8 | 71% | 0.709 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.8 | -44.5 | 174.5 | -74.5 | 177.4 | 177.5 | -173.5 | -0.6 | 112.4 | M133 K134 L135 L140 A141 | M133-R137 WeakPolarHBondContact O-CB 2.94Å; M133-R137 WeakPolarHBondContact O-CG 3.28Å; M133-R137 PolarHBondContact O-N 2.86Å; K134-R137 PolarHBondContact O-N 3.44Å; L135-R137 VanDerWaalsContact C-N 3.33Å; R137-L140 PolarHBondContact O-N 2.86Å; R137-A141 WeakPolarHBondContact O-CB 3.41Å; R137-A141 PolarHBondContact O-N 3.45Å |
| 138 | A | 98.1 | Very high | 96.9 | Very high | 42 Ų | 42 | 97.5 Ų | 97.5 | 35% | 0.347 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.1 | -59.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | K134 L135 L140 A141 D142 | K134-A138 WeakPolarHBondContact O-CB 3.22Å; K134-A138 PolarHBondContact O-N 3.47Å; L135-A138 PolarHBondContact O-N 2.91Å; A138-L140 PolarHBondContact O-N 3.18Å; A138-A141 CarbonylContact O-C 3.57Å; A138-A141 WeakPolarHBondContact O-CA 3.45Å; A138-A141 WeakPolarHBondContact O-CB 3.28Å; A138-A141 PolarHBondContact O-N 2.89Å; A138-D142 VanDerWaalsContact C-OD2 3.22Å; A138-D142 PolarHBondContact O-N 2.8Å; A138-D142 VanDerWaalsContact O-OD2 3.06Å |
| 139 | R | 98 | Very high | 97 | Very high | 166 Ų | 166 | 97.1 Ų | 97.1 | 63% | 0.626 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -55.3 | -33.2 | 179 | -70.5 | 176.7 | 175.4 | -177.5 | -1.9 | 113.9 | L135 D142 N143 | L135-R139 HydrophobicContact CD1-CG 4.19Å; L135-R139 WeakPolarHBondContact O-CB 3.32Å; L135-R139 WeakPolarHBondContact O-CG 3.3Å; L135-R139 PolarHBondContact O-N 2.81Å; R139-D142 WeakPolarHBondContact CA-OD2 3.48Å; R139-D142 PolarHBondContact N-OD2 3.04Å; R139-N143 WeakPolarHBondContact O-CB 3.45Å; R139-N143 PolarHBondContact O-N 3.1Å; R139-N143 VanDerWaalsContact O-N 3.14Å |
| 140 | L | 98.3 | Very high | 97.1 | Very high | 103 Ų | 103 | 102 Ų | 102 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.9 | -43 | 174.7 | -179.2 | 62.2 | 0 | 0 | 0 | 111.6 | K136 R137 A138 L144 | K136-L140 VanDerWaalsContact O-CB 3.24Å; K136-L140 WeakPolarHBondContact O-CB 3.38Å; K136-L140 PolarHBondContact O-N 3.02Å; K136-L140 VanDerWaalsContact O-N 3.16Å; R137-L140 PolarHBondContact O-N 2.86Å; A138-L140 PolarHBondContact O-N 3.18Å; L140-L144 HydrophobicContact CD1-CD1 4.03Å; L140-L144 HydrophobicContact CD1-CG 4.15Å; L140-L144 HydrophobicContact CG-CD1 3.94Å; L140-L144 HydrophobicContact CG-CG 4.45Å; L140-L144 VanDerWaalsContact O-CB 3.29Å; L140-L144 WeakPolarHBondContact O-CB 3.4Å; L140-L144 WeakPolarHBondContact O-CG 3.3Å; L140-L144 PolarHBondContact O-N 3.07Å |
| 141 | A | 98.3 | Very high | 97.2 | Very high | 56 Ų | 56 | 107.8 Ų | 107.8 | 46% | 0.463 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R137 A138 N143 L144 N145 | R137-A141 WeakPolarHBondContact O-CB 3.41Å; R137-A141 PolarHBondContact O-N 3.45Å; A138-A141 CarbonylContact O-C 3.57Å; A138-A141 WeakPolarHBondContact O-CA 3.45Å; A138-A141 WeakPolarHBondContact O-CB 3.28Å; A138-A141 PolarHBondContact O-N 2.89Å; A141-N143 PolarHBondContact O-N 2.71Å; A141-L144 PolarHBondContact O-N 3.47Å; A141-N145 VanDerWaalsContact O-CB 3.28Å; A141-N145 WeakPolarHBondContact O-CB 3.38Å; A141-N145 PolarHBondContact O-N 3.33Å |
| 142 | D | 98.3 | Very high | 97.2 | Very high | 105 Ų | 105 | 106.2 Ų | 106.2 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.8 | -49.6 | 178.7 | -53 | -33.7 | 0 | 0 | 0 | 111.2 | A138 R139 N145 E146 | A138-D142 VanDerWaalsContact C-OD2 3.22Å; A138-D142 PolarHBondContact O-N 2.8Å; A138-D142 VanDerWaalsContact O-OD2 3.06Å; R139-D142 WeakPolarHBondContact CA-OD2 3.48Å; R139-D142 PolarHBondContact N-OD2 3.04Å; D142-N145 PolarHBondContact O-N 2.88Å; D142-E146 PolarHBondContact O-N 3.28Å |
| 143 | N | 98.3 | Very high | 97.2 | Very high | 62 Ų | 62 | 103.4 Ų | 103.4 | 33% | 0.332 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -74.4 | -27.1 | -179.8 | -176.3 | -116.3 | 0 | 0 | 0 | 113.9 | R139 A141 E146 K147 | R139-N143 WeakPolarHBondContact O-CB 3.45Å; R139-N143 PolarHBondContact O-N 3.1Å; R139-N143 VanDerWaalsContact O-N 3.14Å; A141-N143 PolarHBondContact O-N 2.71Å; N143-E146 PolarHBondContact ND2-OE2 3.12Å; N143-E146 VanDerWaalsContact ND2-OE2 3.08Å; N143-K147 WeakPolarHBondContact O-CD 3.46Å; N143-K147 WeakPolarHBondContact O-CG 3.28Å; N143-K147 PolarHBondContact O-N 2.84Å; N143-K147 WeakPolarHBondContact OD1-CE 3.46Å; N143-K147 PolarHBondContact OD1-NZ 3.31Å |
| 144 | L | 98.4 | Very high | 97.1 | Very high | 83 Ų | 83 | 106.3 Ų | 106.3 | 44% | 0.435 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.6 | -39.6 | 168.8 | -74.4 | 172.5 | 0 | 0 | 0 | 110.9 | L140 A141 K147 I148 | L140-L144 HydrophobicContact CD1-CD1 4.03Å; L140-L144 HydrophobicContact CD1-CG 4.15Å; L140-L144 HydrophobicContact CG-CD1 3.94Å; L140-L144 HydrophobicContact CG-CG 4.45Å; L140-L144 VanDerWaalsContact O-CB 3.29Å; L140-L144 WeakPolarHBondContact O-CB 3.4Å; L140-L144 WeakPolarHBondContact O-CG 3.3Å; L140-L144 PolarHBondContact O-N 3.07Å; A141-L144 PolarHBondContact O-N 3.47Å; L144-K147 PolarHBondContact O-N 3.07Å; L144-I148 WeakPolarHBondContact O-CB 3.36Å; L144-I148 WeakPolarHBondContact O-CD1 3.44Å; L144-I148 WeakPolarHBondContact O-CG1 3.14Å; L144-I148 PolarHBondContact O-N 3.39Å |
| 145 | N | 98.1 | Very high | 96.8 | Very high | 114 Ų | 114 | 102.4 Ų | 102.4 | 61% | 0.61 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.1 | -42.8 | 178.2 | -168 | 63.4 | 0 | 0 | 0 | 111.5 | A141 D142 I148 A149 | A141-N145 VanDerWaalsContact O-CB 3.28Å; A141-N145 WeakPolarHBondContact O-CB 3.38Å; A141-N145 PolarHBondContact O-N 3.33Å; D142-N145 PolarHBondContact O-N 2.88Å; N145-I148 PolarHBondContact O-N 3.43Å; N145-A149 WeakPolarHBondContact O-CB 2.91Å; N145-A149 PolarHBondContact O-N 3.24Å |
| 146 | E | 97.5 | Very high | 96.6 | Very high | 101 Ų | 101 | 102.8 Ų | 102.8 | 47% | 0.472 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -55.9 | -49.8 | 170.5 | -179.7 | -176.4 | -154.8 | 0 | 0 | 112.1 | D142 N143 I148 A149 Q150 | D142-E146 PolarHBondContact O-N 3.28Å; N143-E146 PolarHBondContact ND2-OE2 3.12Å; N143-E146 VanDerWaalsContact ND2-OE2 3.08Å; E146-I148 VanDerWaalsContact C-N 3.3Å; E146-I148 PolarHBondContact O-N 2.91Å; E146-A149 PolarHBondContact O-N 3.25Å; E146-Q150 WeakPolarHBondContact O-CG 3.37Å; E146-Q150 PolarHBondContact O-N 2.61Å |
| 147 | K | 97.9 | Very high | 96.5 | Very high | 124 Ų | 124 | 99.1 Ų | 99.1 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.5 | -27.8 | 179 | -74.4 | 167.7 | 176 | 162.5 | 0 | 113.9 | N143 L144 R151 | N143-K147 WeakPolarHBondContact O-CD 3.46Å; N143-K147 WeakPolarHBondContact O-CG 3.28Å; N143-K147 PolarHBondContact O-N 2.84Å; N143-K147 WeakPolarHBondContact OD1-CE 3.46Å; N143-K147 PolarHBondContact OD1-NZ 3.31Å; L144-K147 PolarHBondContact O-N 3.07Å; K147-R151 PolarHBondContact O-N 3.3Å |
| 148 | I | 96.7 | Very high | 96.2 | Very high | 109 Ų | 109 | 90.5 Ų | 90.5 | 56% | 0.559 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -81.3 | -34.9 | 176.3 | -69 | 163.3 | 0 | 0 | 0 | 110.6 | L144 N145 E146 Q150 R151 | L144-I148 WeakPolarHBondContact O-CB 3.36Å; L144-I148 WeakPolarHBondContact O-CD1 3.44Å; L144-I148 WeakPolarHBondContact O-CG1 3.14Å; L144-I148 PolarHBondContact O-N 3.39Å; N145-I148 PolarHBondContact O-N 3.43Å; E146-I148 VanDerWaalsContact C-N 3.3Å; E146-I148 PolarHBondContact O-N 2.91Å; I148-Q150 VanDerWaalsContact C-N 3.34Å; I148-R151 WeakPolarHBondContact O-CB 3.19Å; I148-R151 PolarHBondContact O-N 2.97Å |
| 149 | A | 97.1 | Very high | 95.8 | Very high | 85 Ų | 85 | 92.8 Ų | 92.8 | 70% | 0.702 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.2 | -34.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N145 E146 R151 | N145-A149 WeakPolarHBondContact O-CB 2.91Å; N145-A149 PolarHBondContact O-N 3.24Å; E146-A149 PolarHBondContact O-N 3.25Å; A149-R151 VanDerWaalsContact C-N 3.3Å; A149-R151 PolarHBondContact O-N 3.28Å |
| 150 | Q | 96.3 | Very high | 95.5 | Very high | 140 Ų | 140 | 91.1 Ų | 91.1 | 65% | 0.654 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 18.8 | 173.5 | -61.7 | 177.2 | 22.1 | 0 | 0 | 113.3 | E146 I148 P152 | E146-Q150 WeakPolarHBondContact O-CG 3.37Å; E146-Q150 PolarHBondContact O-N 2.61Å; I148-Q150 VanDerWaalsContact C-N 3.34Å; Q150-P152 WeakPolarHBondContact O-CD 3.32Å |
| 151 | R | 97.1 | Very high | 95 | Very high | 198 Ų | 198 | 91.7 Ų | 91.7 | 75% | 0.747 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 121.1 | -178.2 | -179.9 | -178 | 179.1 | -169.5 | 0 | 110.5 | K147 I148 A149 G153 | K147-R151 PolarHBondContact O-N 3.3Å; I148-R151 WeakPolarHBondContact O-CB 3.19Å; I148-R151 PolarHBondContact O-N 2.97Å; A149-R151 VanDerWaalsContact C-N 3.3Å; A149-R151 PolarHBondContact O-N 3.28Å; R151-G153 PolarHBondContact O-N 3.32Å |
| 152 | P | 96 | Very high | 94.7 | Very high | 67 Ų | 67 | 94.5 Ų | 94.5 | 44% | 0.435 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 136.9 | 179 | -28.5 | 37.1 | 0 | 0 | 0 | 113.2 | Q150 E156 L157 | Q150-P152 WeakPolarHBondContact O-CD 3.32Å; P152-E156 WeakPolarHBondContact CA-OE2 3.48Å; P152-E156 HydrophobicContact CB-CB 4.26Å; P152-E156 WeakPolarHBondContact CB-OE2 3.4Å; P152-L157 HydrophobicContact CB-CD2 4.14Å; P152-L157 HydrophobicContact CB-CG 4.32Å |
| 153 | G | 95.4 | Very high | 94.4 | Very high | 22 Ų | 22 | 93 Ų | 93 | 23% | 0.227 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 159.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | R151 M155 E156 L157 | R151-G153 PolarHBondContact O-N 3.32Å; G153-M155 PolarHBondContact O-N 3.48Å; G153-E156 VanDerWaalsContact N-CD 3.32Å; G153-E156 PolarHBondContact N-OE1 3.17Å; G153-E156 WeakPolarHBondContact O-CB 3.26Å; G153-E156 PolarHBondContact O-N 2.78Å; G153-E156 VanDerWaalsContact O-N 3.15Å; G153-L157 PolarHBondContact O-N 3.22Å; G153-L157 VanDerWaalsContact O-N 3.14Å |
| 154 | P | 92.9 | Very high | 93.8 | Very high | 86 Ų | 86 | 96 Ų | 96 | 56% | 0.558 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.8 | -31.8 | 179.1 | 24.7 | -33.7 | 0 | 0 | 0 | 112.6 | L157 V158 | P154-L157 PolarHBondContact O-N 3.37Å; P154-V158 WeakPolarHBondContact O-CG2 3.47Å; P154-V158 PolarHBondContact O-N 2.77Å; P154-V158 VanDerWaalsContact O-N 3.16Å |
| 155 | M | 89.7 | Confident | 93.2 | Very high | 85 Ų | 85 | 94.3 Ų | 94.3 | 42% | 0.419 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.8 | -40.7 | 175.5 | -62.6 | -63.1 | 92.5 | 0 | 0 | 112.3 | G153 L157 V158 E159 I173 | G153-M155 PolarHBondContact O-N 3.48Å; M155-L157 VanDerWaalsContact C-N 3.26Å; M155-L157 PolarHBondContact O-N 2.95Å; M155-V158 HydrophobicContact CE-CG2 4.28Å; M155-V158 WeakPolarHBondContact O-CA 3.4Å; M155-V158 WeakPolarHBondContact O-CB 3.48Å; M155-V158 PolarHBondContact O-N 3.32Å; M155-E159 PolarHBondContact O-N 3.34Å; M155-I173 HydrophobicContact SD-CD1 4.33Å; M155-I173 HydrophobicContact SD-CG2 3.98Å |
| 156 | E | 91.3 | Very high | 92.4 | Very high | 92 Ų | 92 | 92.1 Ų | 92.1 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.2 | -39.8 | 173.3 | -62.5 | 166.6 | -124.7 | 0 | 0 | 111.2 | P152 G153 V158 E159 K160 | P152-E156 WeakPolarHBondContact CA-OE2 3.48Å; P152-E156 HydrophobicContact CB-CB 4.26Å; P152-E156 WeakPolarHBondContact CB-OE2 3.4Å; G153-E156 VanDerWaalsContact N-CD 3.32Å; G153-E156 PolarHBondContact N-OE1 3.17Å; G153-E156 WeakPolarHBondContact O-CB 3.26Å; G153-E156 PolarHBondContact O-N 2.78Å; G153-E156 VanDerWaalsContact O-N 3.15Å; E156-V158 VanDerWaalsContact C-N 3.31Å; E156-V158 PolarHBondContact O-N 3.35Å; E156-E159 WeakPolarHBondContact O-CB 3.29Å; E156-E159 PolarHBondContact O-N 2.95Å; E156-K160 VanDerWaalsContact O-CG 3.3Å; E156-K160 WeakPolarHBondContact O-CG 3.36Å; E156-K160 PolarHBondContact O-N 3.07Å |
| 157 | L | 94.6 | Very high | 91.4 | Very high | 53 Ų | 53 | 91.3 Ų | 91.3 | 28% | 0.277 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68 | -28.1 | 176.6 | -63.3 | 174.6 | 0 | 0 | 0 | 112.9 | P152 G153 P154 M155 N161 I162 L163 | P152-L157 HydrophobicContact CB-CD2 4.14Å; P152-L157 HydrophobicContact CB-CG 4.32Å; G153-L157 PolarHBondContact O-N 3.22Å; G153-L157 VanDerWaalsContact O-N 3.14Å; P154-L157 PolarHBondContact O-N 3.37Å; M155-L157 VanDerWaalsContact C-N 3.26Å; M155-L157 PolarHBondContact O-N 2.95Å; L157-N161 PolarHBondContact O-N 3.23Å; L157-I162 HydrophobicContact CB-CB 4.48Å; L157-I162 HydrophobicContact CD2-CD1 3.94Å; L157-I162 WeakPolarHBondContact O-CA 3.21Å; L157-I162 WeakPolarHBondContact O-CB 3.31Å; L157-I162 PolarHBondContact O-N 2.67Å; L157-L163 HydrophobicContact CB-CD1 3.76Å; L157-L163 HydrophobicContact CB-CG 3.84Å; L157-L163 HydrophobicContact CD1-CD1 4.22Å; L157-L163 PolarHBondContact O-N 3.46Å |
| 158 | V | 90.9 | Very high | 89.9 | Confident | 8 Ų | 8 | 89.7 Ų | 89.7 | 5% | 0.048 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -71.6 | -43.7 | 170.1 | 170.6 | 0 | 0 | 0 | 0 | 111 | P154 M155 E156 K160 N161 L163 V165 K170 | P154-V158 WeakPolarHBondContact O-CG2 3.47Å; P154-V158 PolarHBondContact O-N 2.77Å; P154-V158 VanDerWaalsContact O-N 3.16Å; M155-V158 HydrophobicContact CE-CG2 4.28Å; M155-V158 WeakPolarHBondContact O-CA 3.4Å; M155-V158 WeakPolarHBondContact O-CB 3.48Å; M155-V158 PolarHBondContact O-N 3.32Å; E156-V158 VanDerWaalsContact C-N 3.31Å; E156-V158 PolarHBondContact O-N 3.35Å; V158-K160 VanDerWaalsContact C-N 3.33Å; V158-K160 PolarHBondContact O-N 3.17Å; V158-N161 PolarHBondContact O-N 3.42Å; V158-L163 HydrophobicContact CG2-CB 3.75Å; V158-L163 HydrophobicContact CG2-CD1 4.49Å; V158-V165 HydrophobicContact CB-CG2 4.27Å; V158-V165 HydrophobicContact CG1-CB 3.88Å; V158-V165 HydrophobicContact CG1-CG2 3.62Å; V158-V165 HydrophobicContact CG2-CG2 3.55Å; V158-K170 HydrophobicContact CG1-CG 4.07Å |
| 159 | E | 89.9 | Confident | 88.6 | Confident | 90 Ų | 90 | 88.8 Ų | 88.8 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60 | -41.3 | 174 | -70.4 | 173.7 | -164 | 0 | 0 | 112.1 | M155 E156 N161 I174 | M155-E159 PolarHBondContact O-N 3.34Å; E156-E159 WeakPolarHBondContact O-CB 3.29Å; E156-E159 PolarHBondContact O-N 2.95Å; E159-N161 PolarHBondContact O-N 2.83Å; E159-N161 PolarHBondContact O-ND2 3.33Å; E159-I174 HydrophobicContact CG-CD1 4.33Å; E159-I174 HydrophobicContact CG-CG1 4.1Å |
| 160 | K | 91.8 | Very high | 87.1 | Confident | 131 Ų | 131 | 87.1 Ų | 87.1 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | 1.3 | 175.5 | -59.3 | -33 | 174.7 | -157.4 | 0 | 113.5 | E156 V158 I162 | E156-K160 VanDerWaalsContact O-CG 3.3Å; E156-K160 WeakPolarHBondContact O-CG 3.36Å; E156-K160 PolarHBondContact O-N 3.07Å; V158-K160 VanDerWaalsContact C-N 3.33Å; V158-K160 PolarHBondContact O-N 3.17Å; K160-I162 HydrophobicContact CB-CD1 3.88Å; K160-I162 HydrophobicContact CB-CG1 4.02Å; K160-I162 PolarHBondContact O-N 3.41Å |
| 161 | N | 88 | Confident | 85.7 | Confident | 115 Ų | 115 | 86.5 Ų | 86.5 | 62% | 0.615 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 19.8 | -178.4 | -41.9 | -90.2 | 0 | 0 | 0 | 114.2 | L157 V158 E159 K170 | L157-N161 PolarHBondContact O-N 3.23Å; V158-N161 PolarHBondContact O-N 3.42Å; E159-N161 PolarHBondContact O-N 2.83Å; E159-N161 PolarHBondContact O-ND2 3.33Å; N161-K170 PolarHBondContact OD1-NZ 2.96Å |
| 162 | I | 92.7 | Very high | 84.2 | Confident | 114 Ų | 114 | 78.4 Ų | 78.4 | 59% | 0.585 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -85.2 | -34.5 | 179.6 | -59.6 | 171.7 | 0 | 0 | 0 | 110.3 | L157 K160 | L157-I162 HydrophobicContact CB-CB 4.48Å; L157-I162 HydrophobicContact CD2-CD1 3.94Å; L157-I162 WeakPolarHBondContact O-CA 3.21Å; L157-I162 WeakPolarHBondContact O-CB 3.31Å; L157-I162 PolarHBondContact O-N 2.67Å; K160-I162 HydrophobicContact CB-CD1 3.88Å; K160-I162 HydrophobicContact CB-CG1 4.02Å; K160-I162 PolarHBondContact O-N 3.41Å |
| 163 | L | 91.4 | Very high | 82.8 | Confident | 73 Ų | 73 | 77.1 Ų | 77.1 | 38% | 0.382 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -104.5 | 127.7 | 171.2 | -65.9 | 179.4 | 0 | 0 | 0 | 110.4 | L157 V158 | L157-L163 HydrophobicContact CB-CD1 3.76Å; L157-L163 HydrophobicContact CB-CG 3.84Å; L157-L163 HydrophobicContact CD1-CD1 4.22Å; L157-L163 PolarHBondContact O-N 3.46Å; V158-L163 HydrophobicContact CG2-CB 3.75Å; V158-L163 HydrophobicContact CG2-CD1 4.49Å |
| 164 | P | 86.4 | Confident | 81.5 | Confident | 127 Ų | 127 | 80.6 Ų | 80.6 | 83% | 0.825 | 45% | 0.447 | S | S | * | . | trans | -75.6 | 132.4 | -179.6 | 30.2 | -34 | 0 | 0 | 0 | 111.6 | ||||
| 165 | V | 85.2 | Confident | 80.4 | Confident | 47 Ų | 47 | 81.5 Ų | 81.5 | 29% | 0.285 | 45% | 0.451 | S | S | . | . | trans | -138.7 | 143.6 | 172.3 | 172.3 | 0 | 0 | 0 | 0 | 108.1 | V158 S167 L169 K170 | V158-V165 HydrophobicContact CB-CG2 4.27Å; V158-V165 HydrophobicContact CG1-CB 3.88Å; V158-V165 HydrophobicContact CG1-CG2 3.62Å; V158-V165 HydrophobicContact CG2-CG2 3.55Å; V165-S167 PolarHBondContact O-N 3.35Å; V165-L169 HydrophobicContact CG1-CB 3.99Å; V165-L169 HydrophobicContact CG1-CD2 4.01Å; V165-L169 HydrophobicContact CG1-CG 4.2Å; V165-K170 HydrophobicContact CB-CB 4.36Å; V165-K170 HydrophobicContact CG1-CB 4.1Å | ||
| 166 | A | 82.3 | Confident | 79 | Confident | 68 Ų | 68 | 80.5 Ų | 80.5 | 56% | 0.562 | 46% | 0.463 | S | S | * | . | trans | -55.5 | 130.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | S168 L169 K170 | A166-S168 VanDerWaalsContact C-N 3.29Å; A166-S168 PolarHBondContact O-N 2.85Å; A166-S168 VanDerWaalsContact O-N 3.13Å; A166-L169 PolarHBondContact O-N 2.89Å; A166-K170 PolarHBondContact O-N 3.17Å | ||
| 167 | S | 75.4 | Confident | 77.4 | Confident | 84 Ų | 84 | 83.6 Ų | 83.6 | 59% | 0.587 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -54.6 | -40.8 | -165.4 | -48.3 | 0 | 0 | 0 | 0 | 114.1 | V165 L169 K170 E171 | V165-S167 PolarHBondContact O-N 3.35Å; S167-L169 PolarHBondContact O-N 3.16Å; S167-K170 WeakPolarHBondContact O-CB 3.42Å; S167-K170 PolarHBondContact O-N 2.8Å; S167-E171 WeakPolarHBondContact O-CB 3.34Å; S167-E171 WeakPolarHBondContact O-CG 3.37Å; S167-E171 PolarHBondContact O-N 3.11Å |
| 168 | S | 66.8 | Low | 75.3 | Confident | 90 Ų | 90 | 83.3 Ų | 83.3 | 63% | 0.629 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.8 | -38 | 176.8 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | A166 A172 | A166-S168 VanDerWaalsContact C-N 3.29Å; A166-S168 PolarHBondContact O-N 2.85Å; A166-S168 VanDerWaalsContact O-N 3.13Å; S168-A172 WeakPolarHBondContact O-CB 3.41Å; S168-A172 PolarHBondContact O-N 3.36Å |
| 169 | L | 68.9 | Low | 73.4 | Confident | 89 Ų | 89 | 90.1 Ų | 90.1 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.3 | -37.5 | 175.2 | -171.2 | 69.6 | 0 | 0 | 0 | 111 | V165 A166 S167 A172 I173 V178 | V165-L169 HydrophobicContact CG1-CB 3.99Å; V165-L169 HydrophobicContact CG1-CD2 4.01Å; V165-L169 HydrophobicContact CG1-CG 4.2Å; A166-L169 PolarHBondContact O-N 2.89Å; S167-L169 PolarHBondContact O-N 3.16Å; L169-A172 PolarHBondContact O-N 3.12Å; L169-I173 HydrophobicContact CD2-CD1 4.38Å; L169-I173 HydrophobicContact CG-CD1 3.92Å; L169-I173 HydrophobicContact CG-CG1 4.44Å; L169-I173 WeakPolarHBondContact O-CB 3.5Å; L169-I173 WeakPolarHBondContact O-CG1 3.35Å; L169-I173 PolarHBondContact O-N 2.93Å; L169-V178 HydrophobicContact CD1-CG1 4.08Å |
| 170 | K | 66.8 | Low | 71.1 | Confident | 51 Ų | 51 | 94.3 Ų | 94.3 | 22% | 0.222 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 175.6 | -176 | -172.4 | 176 | -158.2 | 0 | 111.5 | V158 N161 V165 A166 S167 I173 I174 | V158-K170 HydrophobicContact CG1-CG 4.07Å; N161-K170 PolarHBondContact OD1-NZ 2.96Å; V165-K170 HydrophobicContact CB-CB 4.36Å; V165-K170 HydrophobicContact CG1-CB 4.1Å; A166-K170 PolarHBondContact O-N 3.17Å; S167-K170 WeakPolarHBondContact O-CB 3.42Å; S167-K170 PolarHBondContact O-N 2.8Å; K170-I173 PolarHBondContact O-N 3.45Å; K170-I174 HydrophobicContact CG-CD1 3.98Å; K170-I174 WeakPolarHBondContact O-CB 3.32Å; K170-I174 VanDerWaalsContact O-CG1 3.27Å; K170-I174 WeakPolarHBondContact O-CG1 3.43Å; K170-I174 PolarHBondContact O-N 3.46Å |
| 171 | E | 67.2 | Low | 69 | Low | 126 Ų | 126 | 93.4 Ų | 93.4 | 59% | 0.589 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.3 | -44 | 174.3 | -73.3 | 161.4 | -165.6 | 0 | 0 | 111.3 | S167 I173 I174 V175 | S167-E171 WeakPolarHBondContact O-CB 3.34Å; S167-E171 WeakPolarHBondContact O-CG 3.37Å; S167-E171 PolarHBondContact O-N 3.11Å; E171-I173 VanDerWaalsContact C-N 3.35Å; E171-I173 PolarHBondContact O-N 2.92Å; E171-I174 PolarHBondContact O-N 3.42Å; E171-V175 WeakPolarHBondContact O-CB 3.38Å; E171-V175 VanDerWaalsContact O-CG2 3.3Å; E171-V175 WeakPolarHBondContact O-CG2 3.29Å; E171-V175 PolarHBondContact O-N 3.49Å |
| 172 | A | 64.3 | Low | 66.9 | Low | 29 Ų | 29 | 96.5 Ų | 96.5 | 24% | 0.24 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -63.9 | -34.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S168 L169 G176 Q177 V178 | S168-A172 WeakPolarHBondContact O-CB 3.41Å; S168-A172 PolarHBondContact O-N 3.36Å; L169-A172 PolarHBondContact O-N 3.12Å; A172-G176 PolarHBondContact O-N 3.45Å; A172-Q177 PolarHBondContact O-N 2.64Å; A172-V178 HydrophobicContact CB-CG1 4.16Å |
| 173 | I | 67.7 | Low | 64.3 | Low | 40 Ų | 40 | 97.2 Ų | 97.2 | 21% | 0.205 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -68.5 | -49.6 | 174.2 | -72.7 | 165.5 | 0 | 0 | 0 | 110.4 | M155 L169 K170 E171 V175 G176 V178 | M155-I173 HydrophobicContact SD-CD1 4.33Å; M155-I173 HydrophobicContact SD-CG2 3.98Å; L169-I173 HydrophobicContact CD2-CD1 4.38Å; L169-I173 HydrophobicContact CG-CD1 3.92Å; L169-I173 HydrophobicContact CG-CG1 4.44Å; L169-I173 WeakPolarHBondContact O-CB 3.5Å; L169-I173 WeakPolarHBondContact O-CG1 3.35Å; L169-I173 PolarHBondContact O-N 2.93Å; K170-I173 PolarHBondContact O-N 3.45Å; E171-I173 VanDerWaalsContact C-N 3.35Å; E171-I173 PolarHBondContact O-N 2.92Å; I173-V175 VanDerWaalsContact C-N 3.3Å; I173-V175 PolarHBondContact O-N 3.13Å; I173-G176 PolarHBondContact O-N 2.91Å; I173-V178 HydrophobicContact CG1-CG1 3.94Å; I173-V178 HydrophobicContact CG1-CG2 4.29Å |
| 174 | I | 67.6 | Low | 62 | Low | 94 Ų | 94 | 100.9 Ų | 100.9 | 48% | 0.482 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65 | -33.7 | -178.3 | -68.9 | 169 | 0 | 0 | 0 | 112 | E159 K170 E171 G176 | E159-I174 HydrophobicContact CG-CD1 4.33Å; E159-I174 HydrophobicContact CG-CG1 4.1Å; K170-I174 HydrophobicContact CG-CD1 3.98Å; K170-I174 WeakPolarHBondContact O-CB 3.32Å; K170-I174 VanDerWaalsContact O-CG1 3.27Å; K170-I174 WeakPolarHBondContact O-CG1 3.43Å; K170-I174 PolarHBondContact O-N 3.46Å; E171-I174 PolarHBondContact O-N 3.42Å; I174-G176 VanDerWaalsContact C-N 3.28Å |
| 175 | V | 68.6 | Low | 60.2 | Low | 105 Ų | 105 | 101.9 Ų | 101.9 | 64% | 0.636 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -1.5 | 176.7 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | E171 I173 Q177 | E171-V175 WeakPolarHBondContact O-CB 3.38Å; E171-V175 VanDerWaalsContact O-CG2 3.3Å; E171-V175 WeakPolarHBondContact O-CG2 3.29Å; E171-V175 PolarHBondContact O-N 3.49Å; I173-V175 VanDerWaalsContact C-N 3.3Å; I173-V175 PolarHBondContact O-N 3.13Å; V175-Q177 VanDerWaalsContact C-N 3.28Å; V175-Q177 PolarHBondContact O-N 2.77Å |
| 176 | G | 61.2 | Low | 58.3 | Low | 65 Ų | 65 | 108.2 Ų | 108.2 | 67% | 0.67 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.8 | 22.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A172 I173 I174 | A172-G176 PolarHBondContact O-N 3.45Å; I173-G176 PolarHBondContact O-N 2.91Å; I174-G176 VanDerWaalsContact C-N 3.28Å |
| 177 | Q | 58.1 | Low | 56.6 | Low | 157 Ų | 157 | 113.1 Ų | 113.1 | 73% | 0.734 | 61% | 0.608 | S | S | * | * | trans | -98.8 | 11.1 | -172.3 | -130 | 179.8 | 63.6 | 0 | 0 | 114.2 | A172 V175 N179 | A172-Q177 PolarHBondContact O-N 2.64Å; V175-Q177 VanDerWaalsContact C-N 3.28Å; V175-Q177 PolarHBondContact O-N 2.77Å; Q177-N179 PolarHBondContact O-N 2.86Å | ||
| 178 | V | 50.3 | Low | 54.8 | Low | 46 Ų | 46 | 112.1 Ų | 112.1 | 28% | 0.279 | 61% | 0.611 | S | S | . | * | trans | -77.8 | 100.7 | 174.2 | -84 | 0 | 0 | 0 | 0 | 111.8 | L169 A172 I173 Y180 | L169-V178 HydrophobicContact CD1-CG1 4.08Å; A172-V178 HydrophobicContact CB-CG1 4.16Å; I173-V178 HydrophobicContact CG1-CG1 3.94Å; I173-V178 HydrophobicContact CG1-CG2 4.29Å; V178-Y180 HydrophobicContact CB-CE2 4.38Å; V178-Y180 HydrophobicContact CG2-CE2 3.95Å; V178-Y180 WeakPolarHBondContact O-CD2 3.14Å; V178-Y180 PolarHBondContact O-N 3.29Å | ||
| 179 | N | 51.9 | Low | 54 | Low | 151 Ų | 151 | 114.2 Ų | 114.2 | 81% | 0.807 | 62% | 0.624 | S | S | * | * | trans | -70.7 | 105 | 170 | -177.6 | -4.5 | 0 | 0 | 0 | 110.2 | Q177 | Q177-N179 PolarHBondContact O-N 2.86Š| ||
| 180 | Y | 40.9 | Very low | 52.6 | Low | 178 Ų | 178 | 119.7 Ų | 119.7 | 70% | 0.698 | 64% | 0.64 | S | S | * | * | trans | -75.4 | 125.9 | 171 | -72.3 | -92.8 | 0 | 0 | 0 | 109.8 | V178 K182 | V178-Y180 HydrophobicContact CB-CE2 4.38Å; V178-Y180 HydrophobicContact CG2-CE2 3.95Å; V178-Y180 WeakPolarHBondContact O-CD2 3.14Å; V178-Y180 PolarHBondContact O-N 3.29Å; Y180-K182 PolarHBondContact O-N 3.2Å | ||
| 181 | P | 48.2 | Very low | 51.9 | Low | 113 Ų | 113 | 125.2 Ų | 125.2 | 73% | 0.734 | 67% | 0.672 | S | S | * | * | trans | -62.6 | 112 | 175.1 | 26.2 | -32.9 | 0 | 0 | 0 | 109.3 | V183 | P181-V183 PolarHBondContact O-N 2.93Š| ||
| 182 | K | 42.4 | Very low | 50.6 | Low | 180 Ų | 180 | 122.3 Ų | 122.3 | 78% | 0.783 | 67% | 0.669 | S | S | * | * | trans | -60.5 | 105.2 | 175.3 | -175.1 | -175.3 | 178.6 | -169.7 | 0 | 108.3 | Y180 L184 | Y180-K182 PolarHBondContact O-N 3.2Å; K182-L184 PolarHBondContact O-N 2.93Å | ||
| 183 | V | 39.4 | Very low | 49.2 | Very low | 129 Ų | 129 | 127.4 Ų | 127.4 | 78% | 0.782 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 135.5 | 174.1 | -177 | 0 | 0 | 0 | 0 | 108.2 | P181 | P181-V183 PolarHBondContact O-N 2.93Š|
| 184 | L | 42.5 | Very low | 47.8 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 144.4 | -175.6 | -173.1 | 64.1 | 0 | 0 | 0 | 110.9 | K182 | K182-L184 PolarHBondContact O-N 2.93Š|
| 185 | E | 48 | Very low | 46.8 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 132.9 | 170 | -68.2 | 169.1 | 151 | 0 | 0 | 109.8 | ||
| 186 | E | 46.5 | Very low | 45.2 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 84% | 0.841 | 75% | 0.754 | S | S | * | * | trans | -128.3 | 116.4 | 152.6 | -71.2 | -158.8 | 157.5 | 0 | 0 | 108.6 | G188 | E186-G188 PolarHBondContact O-N 3.47Š| ||
| 187 | D | 46.1 | Very low | 43.8 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 91% | 0.914 | 76% | 0.76 | S | S | * | * | trans | -69.3 | 116.5 | 178.3 | -73.7 | -68.7 | 0 | 0 | 0 | 111 | ||||
| 188 | G | 38.3 | Very low | 42.8 | Very low | 63 Ų | 63 | 140.3 Ų | 140.3 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | trans | -153.5 | 33.8 | -165.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | E186 | E186-G188 PolarHBondContact O-N 3.47Š| ||
| 189 | C | 49.4 | Very low | 41.9 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 91% | 0.905 | 79% | 0.786 | S | S | * | * | trans | 24.7 | 94.5 | 164.6 | -167.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 190 | Y | 39.2 | Very low | 41.2 | Very low | 204 Ų | 204 | 140.8 Ų | 140.8 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | -134 | 120.4 | 156 | 64.7 | -86.3 | 0 | 0 | 0 | 111.2 | A192 | Y190-A192 HydrophobicContact CD2-CB 4.37Š| ||
| 191 | D | 52.8 | Low | 41 | Very low | 167 Ų | 167 | 139.7 Ų | 139.7 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | -94.4 | 100.2 | 170 | 174.2 | 25.3 | 0 | 0 | 0 | 108.3 | ||||
| 192 | A | 39 | Very low | 40.3 | Very low | 64 Ų | 64 | 143.5 Ų | 143.5 | 53% | 0.529 | 80% | 0.798 | S | S | . | * | trans | -156.2 | 96.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y190 | Y190-A192 HydrophobicContact CD2-CB 4.37Š| ||
| 193 | V | 35.7 | Very low | 40.3 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | 41.4 | 117.8 | 148 | -65.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 194 | S | 38.4 | Very low | 40.7 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 139.2 | 164.4 | -56.3 | 0 | 0 | 0 | 0 | 112.6 | E196 | S194-E196 PolarHBondContact O-N 3.44Š|
| 195 | P | 46.6 | Very low | 40.1 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 125.5 | 170.3 | -23.7 | 34.9 | 0 | 0 | 0 | 112.3 | ||
| 196 | E | 33.5 | Very low | 39.5 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 140.2 | -173.1 | -150.3 | 176.1 | 94.1 | 0 | 0 | 112.4 | S194 | S194-E196 PolarHBondContact O-N 3.44Š|
| 197 | Q | 32.5 | Very low | 39 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 136.9 | 161.2 | -71.2 | -173.1 | -12.2 | 0 | 0 | 109 | A199 | Q197-A199 PolarHBondContact O-N 3.12Š|
| 198 | P | 38.3 | Very low | 38.5 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -73.6 | 75.4 | 177 | 30.9 | -35.2 | 0 | 0 | 0 | 111.4 | ||||
| 199 | A | 30.7 | Very low | 38.1 | Very low | 84 Ų | 84 | 130.9 Ų | 130.9 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | trans | -77 | 145.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q197 | Q197-A199 PolarHBondContact O-N 3.12Š| ||
| 200 | S | 36.6 | Very low | 38.2 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -66.3 | 136.4 | 176.4 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 201 | Q | 36.6 | Very low | 37.8 | Very low | 154 Ų | 154 | 123.2 Ų | 123.2 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | -121 | 102.7 | 160.1 | -75.9 | -157.5 | 23.7 | 0 | 0 | 112.5 | ||||
| 202 | E | 34.6 | Very low | 37 | Very low | 194 Ų | 194 | 124.8 Ų | 124.8 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | trans | -68.4 | 151.4 | 137.8 | -168.8 | 171.7 | 89.8 | 0 | 0 | 108.4 | ||||
| 203 | S | 42.7 | Very low | 36.5 | Very low | 96 Ų | 96 | 127.8 Ų | 127.8 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | trans | -150.7 | 137.2 | -162.1 | 167.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 204 | Q | 47.6 | Very low | 36.3 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | cis | -155.9 | 170.3 | 1.9 | -114.2 | -71.1 | -17.3 | 0 | 0 | 110.3 | ||||
| 205 | G | 28.1 | Very low | 36 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | -146.3 | -4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 206 | S | 36.5 | Very low | 35.6 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | 64.8 | 110.9 | 167.2 | -58 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 207 | A | 36.5 | Very low | 35.2 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | 29.9 | 153.1 | 121.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 208 | P | 35.6 | Very low | 35 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | cis | -140.9 | -177.3 | 27.3 | 42.4 | -22.8 | 0 | 0 | 0 | 118.5 | ||||
| 209 | S | 29.9 | Very low | 35.5 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -107.7 | 179.8 | 171.6 | -39 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 210 | P | 51.3 | Low | 36.1 | Very low | 110 Ų | 110 | 129 Ų | 129 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | cis | -124.8 | -156.8 | 30 | 43 | -23.7 | 0 | 0 | 0 | 112.9 | ||||
| 211 | G | 30.3 | Very low | 35.6 | Very low | 67 Ų | 67 | 129.7 Ų | 129.7 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | cis | -165.4 | -165.3 | 6.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 212 | E | 36.2 | Very low | 35.2 | Very low | 199 Ų | 199 | 125.9 Ų | 125.9 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | trans | -103.5 | 159.5 | -161.6 | -58.6 | 167.6 | 81.4 | 0 | 0 | 117.1 | ||||
| 213 | S | 28.9 | Very low | 35.8 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | -161.8 | 167.4 | 146.7 | -160.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 214 | R | 31.6 | Very low | 35.1 | Very low | 222 Ų | 222 | 123 Ų | 123 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -124.4 | 147 | -172.1 | -76.8 | -170.7 | -179.3 | -168.8 | 2.2 | 114.5 | ||||
| 215 | V | 30.8 | Very low | 35.3 | Very low | 129 Ų | 129 | 121.8 Ų | 121.8 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | 39.1 | 126.2 | 128.9 | -172.6 | 0 | 0 | 0 | 0 | 118 | |||||
| 216 | P | 39.5 | Very low | 35.6 | Very low | 110 Ų | 110 | 123 Ų | 123 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | -156.6 | 167 | 69.6 | 42.4 | -21.2 | 0 | 0 | 0 | 121.4 | |||||
| 217 | E | 24.9 | Very low | 35.3 | Very low | 175 Ų | 175 | 124.8 Ų | 124.8 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 35.5 | 129.2 | 144.3 | -65.8 | -173.8 | 72 | 0 | 0 | 126.9 | ||||
| 218 | T | 28 | Very low | 35.4 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | trans | 8.1 | 163.9 | 131.4 | 26.5 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 219 | P | 49.5 | Very low | 36.1 | Very low | 115 Ų | 115 | 127 Ų | 127 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | cis | -129.7 | -124.5 | -13.6 | 35.5 | -11.4 | 0 | 0 | 0 | 111.2 | ||||
| 220 | P | 42.7 | Very low | 36.3 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | cis | -133.6 | 163.1 | -38.6 | 35.8 | -16.5 | 0 | 0 | 0 | 118.3 | ||||
| 221 | T | 26.2 | Very low | 35.5 | Very low | 139 Ų | 139 | 128 Ų | 128 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | 34.3 | 109.9 | 142.5 | -47.5 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 222 | G | 28.1 | Very low | 35.6 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | 66.9 | 172.5 | 133.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 223 | P | 46.3 | Very low | 35.4 | Very low | 141 Ų | 141 | 127 Ų | 127 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | cis | -125.7 | -157.4 | -3.1 | 42.9 | -25.6 | 0 | 0 | 0 | 115.1 | ||||
| 224 | A | 28.5 | Very low | 35.4 | Very low | 89 Ų | 89 | 127.9 Ų | 127.9 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -104.5 | -161.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 225 | P | 51.4 | Low | 35.3 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | cis | -147.4 | -173.5 | 11.5 | 46.1 | -25.2 | 0 | 0 | 0 | 120 | ||||
| 226 | A | 34.8 | Very low | 35.7 | Very low | 94 Ų | 94 | 125.1 Ų | 125.1 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | trans | 76.3 | 151.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 227 | V | 30.9 | Very low | 35.1 | Very low | 143 Ų | 143 | 127.4 Ų | 127.4 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | cis | -133.2 | 164 | 18 | -177.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 228 | L | 38.1 | Very low | 36 | Very low | 158 Ų | 158 | 124.7 Ų | 124.7 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -88.4 | -179.3 | 179.9 | -80.9 | 174.3 | 0 | 0 | 0 | 113.1 | ||||
| 229 | P | 50 | Low | 35.9 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | cis | -144.9 | 165.6 | 18.2 | 45.7 | -26.7 | 0 | 0 | 0 | 120.4 | ||||
| 230 | A | 34.7 | Very low | 35 | Very low | 81 Ų | 81 | 121.4 Ų | 121.4 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | trans | 50.6 | 151.4 | 132.2 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 231 | I | 35 | Very low | 34.1 | Very low | 164 Ų | 164 | 123.9 Ų | 123.9 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | cis | -156.7 | 139.7 | -13.9 | -107 | 161.2 | 0 | 0 | 0 | 107.6 | ||||
| 232 | A | 31.9 | Very low | 34.4 | Very low | 88 Ų | 88 | 126.9 Ų | 126.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -157.4 | 167.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 233 | M | 31.2 | Very low | 35.3 | Very low | 159 Ų | 159 | 129 Ų | 129 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -148.4 | 155.5 | -169.3 | -61.3 | -86.5 | 87 | 0 | 0 | 109.5 | ||||
| 234 | L | 30 | Very low | 34.5 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | cis | -161.2 | -179.3 | -8.4 | -121.3 | 175.4 | 0 | 0 | 0 | 111.7 | ||||
| 235 | Q | 28.8 | Very low | 34.7 | Very low | 173 Ų | 173 | 132.1 Ų | 132.1 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | -93.6 | 178.9 | 163.5 | -91.7 | -179.8 | -7.4 | 0 | 0 | 110.2 | ||||
| 236 | P | 39.4 | Very low | 33.4 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | cis | -150.4 | -171.8 | 30.8 | 42.8 | -19.2 | 0 | 0 | 0 | 119.5 | ||||
| 237 | L | 26 | Very low | 33 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -59.5 | 179.2 | 159.8 | -121.1 | 65.3 | 0 | 0 | 0 | 112.8 | ||||
| 238 | P | 44.3 | Very low | 32.8 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | cis | -138.5 | -179.4 | -7.2 | 41.3 | -24.2 | 0 | 0 | 0 | 116.1 | ||||
| 239 | G | 26.5 | Very low | 32.2 | Very low | 73 Ų | 73 | 128 Ų | 128 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | 113 | 112.7 | 129.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 240 | A | 29.9 | Very low | 31.1 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | 72.4 | 147.2 | 137.2 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 241 | D | 25 | Very low | 30.9 | Very low | 159 Ų | 159 | 135 Ų | 135 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | 73.3 | 125.6 | 148 | -60.8 | -26.5 | 0 | 0 | 0 | 125.5 | ||||
| 242 | F | 32.3 | Very low | 31.2 | Very low | 201 Ų | 201 | 131.9 Ų | 131.9 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | trans | -73.1 | 170.3 | 150.9 | -90.4 | -102 | 0 | 0 | 0 | 109.7 | ||||
| 243 | P | 45.7 | Very low | 30.9 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | cis | -146.6 | -167 | 28.5 | 43.6 | -21.9 | 0 | 0 | 0 | 117.4 | ||||
| 244 | K | 29.5 | Very low | 30.7 | Very low | 177 Ų | 177 | 133.1 Ų | 133.1 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -67.2 | 151.6 | 176.1 | 178.9 | 173 | -176.3 | 171.9 | 0 | 115.4 | ||||
| 245 | P | 33.6 | Very low | 30.7 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | -123.5 | 157.6 | 122.3 | 32.8 | -23.7 | 0 | 0 | 0 | 111 | |||||
| 246 | A | 24.5 | Very low | 31.1 | Very low | 74 Ų | 74 | 128.9 Ų | 128.9 | 61% | 0.612 | 77% | 0.772 | S | S | * | * | cis | 112.8 | 121.5 | 9.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 247 | S | 25.4 | Very low | 31 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 88% | 0.881 | 77% | 0.768 | S | S | * | * | trans | 65.9 | 153.1 | 170.3 | -67.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 248 | A | 27.2 | Very low | 31 | Very low | 89 Ų | 89 | 125.5 Ų | 125.5 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | cis | -168 | 173.3 | -19.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 249 | N | 25.6 | Very low | 30.1 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | 100.4 | 141.9 | 144.2 | -131.3 | 28.5 | 0 | 0 | 0 | 121.2 | ||||
| 250 | E | 27.6 | Very low | 30.3 | Very low | 160 Ų | 160 | 132.6 Ų | 132.6 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 66.8 | 100.9 | 158.2 | -37.7 | -154.4 | 101.6 | 0 | 0 | 121.7 | ||||
| 251 | Q | 28.7 | Very low | 30.2 | Very low | 180 Ų | 180 | 132.6 Ų | 132.6 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | 6.3 | 161.7 | 113 | -77.6 | -173 | -19.8 | 0 | 0 | 120 | |||||
| 252 | P | 41.6 | Very low | 31.1 | Very low | 100 Ų | 100 | 130.7 Ų | 130.7 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | cis | -141.4 | -154.1 | -27.8 | 35.2 | -12.5 | 0 | 0 | 0 | 112.6 | ||||
| 253 | L | 26.1 | Very low | 31.6 | Very low | 148 Ų | 148 | 126.2 Ų | 126.2 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | trans | 84.6 | 140.1 | 153.6 | -72 | 157.5 | 0 | 0 | 0 | 122 | ||||
| 254 | T | 26.2 | Very low | 30.6 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | trans | 60.3 | 101.9 | 148.1 | 49.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 255 | C | 31.3 | Very low | 30.6 | Very low | 117 Ų | 117 | 122.4 Ų | 122.4 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | -57.2 | 161.9 | 127.2 | -131.4 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 256 | P | 36.7 | Very low | 30.6 | Very low | 112 Ų | 112 | 121.2 Ų | 121.2 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | cis | -147.6 | -127.6 | 42.7 | 35.5 | -7.5 | 0 | 0 | 0 | 115 | ||||
| 257 | P | 37.1 | Very low | 31.4 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | -121.6 | -157.5 | -88.9 | 30.7 | -9.6 | 0 | 0 | 0 | 114.5 | |||||
| 258 | V | 25.7 | Very low | 31.7 | Very low | 99 Ų | 99 | 123.4 Ų | 123.4 | 60% | 0.6 | 75% | 0.754 | S | S | * | * | trans | 103.4 | 90.7 | 151.2 | -168.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 259 | Q | 25.3 | Very low | 31.9 | Very low | 166 Ų | 166 | 128.8 Ų | 128.8 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | 61.6 | 173.9 | 126.3 | -59 | 174.5 | 5.7 | 0 | 0 | 122.3 | |||||
| 260 | H | 30.8 | Very low | 32.6 | Very low | 175 Ų | 175 | 128.3 Ų | 128.3 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | 91 | 134.8 | 172.8 | -59.4 | -86.1 | 0 | 0 | 0 | 118.2 | ||||
| 261 | A | 29 | Very low | 32.7 | Very low | 93 Ų | 93 | 124 Ų | 124 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -148.9 | -173.2 | -176 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 262 | P | 42.5 | Very low | 33.1 | Very low | 118 Ų | 118 | 121.4 Ų | 121.4 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | cis | -116.4 | -134.7 | -18.9 | 39.3 | -20.3 | 0 | 0 | 0 | 108 | ||||
| 263 | P | 44.5 | Very low | 32.4 | Very low | 108 Ų | 108 | 122.6 Ų | 122.6 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | cis | -128.4 | -171.1 | -31.6 | 30.6 | -8.6 | 0 | 0 | 0 | 114.2 | ||||
| 264 | T | 24.4 | Very low | 33 | Very low | 127 Ų | 127 | 123.3 Ų | 123.3 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | 112.5 | 119.4 | 142 | -48.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 265 | A | 28.2 | Very low | 33.2 | Very low | 86 Ų | 86 | 123.3 Ų | 123.3 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | 70.4 | 115.1 | 145.6 | 0 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 266 | A | 34.1 | Very low | 33.2 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | 67.3 | 167 | 119.8 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 267 | P | 42 | Very low | 32.9 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | cis | -134.4 | 162.4 | -39 | 34.8 | -18.7 | 0 | 0 | 0 | 115.2 | ||||
| 268 | S | 31.3 | Very low | 32.4 | Very low | 127 Ų | 127 | 130 Ų | 130 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | -174.1 | 164.9 | 147.1 | 30.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 269 | K | 32.3 | Very low | 32.3 | Very low | 201 Ų | 201 | 132.7 Ų | 132.7 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -125.9 | 178 | 178.8 | -67.6 | 180 | 176.7 | -179.9 | 0 | 108.8 | ||||
| 270 | P | 38.3 | Very low | 32.3 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | cis | -128 | 174 | -19.8 | 26.8 | -5.6 | 0 | 0 | 0 | 114 | ||||
| 271 | G | 30.3 | Very low | 32.1 | Very low | 71 Ų | 71 | 131 Ų | 131 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | 162.8 | 116.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 272 | P | 36.6 | Very low | 32 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | -84.7 | 172.4 | 169.4 | 39.2 | -36.5 | 0 | 0 | 0 | 110.6 | ||||
| 273 | T | 28.3 | Very low | 31.2 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | cis | -162.9 | 142.7 | 36.4 | -49 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 274 | L | 38.4 | Very low | 30.3 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | -155.6 | 167.3 | 163 | -110.4 | 174.5 | 0 | 0 | 0 | 111.2 | ||||
| 275 | V | 30.6 | Very low | 30.3 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | 75.8 | 115.6 | -165 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 276 | K | 31.7 | Very low | 30.5 | Very low | 189 Ų | 189 | 137 Ų | 137 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | cis | 95.1 | 148.1 | 31.7 | -169.3 | -177.1 | 177.6 | -174.1 | 0 | 111.9 | ||||
| 277 | Q | 29 | Very low | 30.3 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | 70.6 | 147.6 | -167.3 | -79.8 | 177.1 | -30.1 | 0 | 0 | 114.3 | ||||
| 278 | S | 27.6 | Very low | 29.8 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | cis | -145.6 | 174.9 | -5.6 | -157.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 279 | Q | 23.2 | Very low | 30.1 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | trans | -73.5 | 177.8 | 176.2 | -39.3 | 176.5 | 23.6 | 0 | 0 | 111.2 | ||||
| 280 | Q | 25.9 | Very low | 30.5 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 58% | 0.579 | 76% | 0.762 | S | S | * | * | cis | -167.7 | 143.7 | 13.9 | -150 | -178.3 | 75.2 | 0 | 0 | 111.4 | ||||
| 281 | K | 25.4 | Very low | 30.4 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | 60.6 | 156.4 | 163.8 | -67.7 | 151.4 | -174.4 | 166.5 | 0 | 116.9 | ||||
| 282 | S | 27.2 | Very low | 30.8 | Very low | 108 Ų | 108 | 144.7 Ų | 144.7 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | cis | -130 | 173 | -5.2 | 69.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 283 | L | 26.4 | Very low | 31.4 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | -169 | 158.4 | 79 | -136.9 | 163 | 0 | 0 | 0 | 110 | |||||
| 284 | S | 25.2 | Very low | 31.6 | Very low | 89 Ų | 89 | 149.4 Ų | 149.4 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | trans | -113 | 142.5 | -175.2 | 54.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 285 | E | 25 | Very low | 31.9 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | 82.1 | 147.9 | 146.4 | -83.8 | -158.7 | 105.5 | 0 | 0 | 124 | ||||
| 286 | K | 31.6 | Very low | 32.2 | Very low | 155 Ų | 155 | 147.9 Ų | 147.9 | 67% | 0.674 | 76% | 0.759 | S | S | * | * | trans | 79.6 | 92.6 | 143.3 | -78.3 | 159.6 | 177 | 140.1 | 0 | 121.8 | ||||
| 287 | S | 30.8 | Very low | 32.8 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | 125.5 | 125.4 | 107.2 | -64.1 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 288 | R | 31.2 | Very low | 33.6 | Very low | 241 Ų | 241 | 146.4 Ų | 146.4 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | trans | 47.2 | 146.3 | 135.5 | -75.6 | -175.6 | 171.8 | 153.9 | 0.7 | 121.1 | ||||
| 289 | S | 38 | Very low | 34.5 | Very low | 91 Ų | 91 | 147.3 Ų | 147.3 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | cis | -176.6 | 175.7 | -1.4 | 53.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 290 | K | 39.3 | Very low | 36.5 | Very low | 201 Ų | 201 | 148.9 Ų | 148.9 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | 71.1 | 151.2 | 165.4 | -78.9 | 172.7 | -179.7 | 172.5 | 0 | 115.3 | ||||
| 291 | K | 37.1 | Very low | 38.2 | Very low | 192 Ų | 192 | 152.8 Ų | 152.8 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | cis | -148.7 | 120.1 | 0.4 | 172.5 | -179.9 | 178.6 | -177.6 | 0 | 109.8 | ||||
| 292 | G | 39.1 | Very low | 39.7 | Very low | 76 Ų | 76 | 151.4 Ų | 151.4 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | trans | -71.4 | 146.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 293 | K | 47.4 | Very low | 41.5 | Very low | 203 Ų | 203 | 155.1 Ų | 155.1 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -119.1 | 95.1 | -176.5 | -165.5 | -179.8 | -176.2 | -176.1 | 0 | 111.2 | A295 | K293-A295 PolarHBondContact O-N 2.87Š| ||
| 294 | E | 33.6 | Very low | 42.9 | Very low | 146 Ų | 146 | 158.4 Ų | 158.4 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | trans | 20.1 | 92.8 | 157.7 | -165 | -167.7 | -172 | 0 | 0 | 117.5 | K296 | E294-K296 HydrophobicContact CG-CG 3.91Å; E294-K296 PolarHBondContact O-N 2.78Å; E294-K296 WeakPolarHBondContact OE1-CE 3.49Å; E294-K296 IonicContact OE1-NZ 3.33Å; E294-K296 WeakPolarHBondContact OE2-CE 3.44Å; E294-K296 IonicContact OE2-NZ 2.7Å | ||
| 295 | A | 44.5 | Very low | 44.9 | Very low | 105 Ų | 105 | 162.6 Ų | 162.6 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -78.4 | 98.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | K293 S297 | K293-A295 PolarHBondContact O-N 2.87Å; A295-S297 PolarHBondContact O-N 3.36Å | ||
| 296 | K | 36.6 | Very low | 46.3 | Very low | 151 Ų | 151 | 164.2 Ų | 164.2 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | trans | -70.1 | 110.7 | -178.3 | -68 | -177.7 | 175.8 | -179.4 | 0 | 111.5 | E294 R298 | E294-K296 HydrophobicContact CG-CG 3.91Å; E294-K296 PolarHBondContact O-N 2.78Å; E294-K296 WeakPolarHBondContact OE1-CE 3.49Å; E294-K296 IonicContact OE1-NZ 3.33Å; E294-K296 WeakPolarHBondContact OE2-CE 3.44Å; E294-K296 IonicContact OE2-NZ 2.7Å; K296-R298 PolarHBondContact O-N 3.3Å | ||
| 297 | S | 45.4 | Very low | 47.4 | Very low | 105 Ų | 105 | 165.5 Ų | 165.5 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -63.2 | 106.1 | 167.9 | 45.3 | 0 | 0 | 0 | 0 | 109.8 | A295 V299 | A295-S297 PolarHBondContact O-N 3.36Å; S297-V299 VanDerWaalsContact C-N 3.27Å; S297-V299 PolarHBondContact O-N 3.35Å | ||
| 298 | R | 44.5 | Very low | 48.2 | Very low | 235 Ų | 235 | 166.2 Ų | 166.2 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | -73.5 | 81.2 | 176.3 | -70.8 | -170.8 | 178.7 | -160.1 | 2.1 | 110.1 | K296 K300 | K296-R298 PolarHBondContact O-N 3.3Å; R298-K300 PolarHBondContact O-N 3.16Å | ||
| 299 | V | 46.4 | Very low | 49 | Very low | 125 Ų | 125 | 159 Ų | 159 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | trans | -59.3 | 101.9 | 168.9 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | S297 K301 | S297-V299 VanDerWaalsContact C-N 3.27Å; S297-V299 PolarHBondContact O-N 3.35Å; V299-K301 PolarHBondContact O-N 3.25Å | ||
| 300 | K | 65.9 | Low | 49.5 | Very low | 189 Ų | 189 | 159.9 Ų | 159.9 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -63.1 | 118 | 168.7 | -69.6 | 179.2 | 178.7 | 177.5 | 0 | 106.8 | R298 L302 | R298-K300 PolarHBondContact O-N 3.16Å; K300-L302 PolarHBondContact O-N 3.06Å | ||
| 301 | K | 62.4 | Low | 50 | Low | 206 Ų | 206 | 155.9 Ų | 155.9 | 90% | 0.896 | 78% | 0.777 | S | S | * | * | trans | -61.4 | 106 | 169.9 | -75 | -173.1 | 175.7 | -175.4 | 0 | 107.9 | V299 K303 | V299-K301 PolarHBondContact O-N 3.25Å; K301-K303 PolarHBondContact O-N 3.32Å | ||
| 302 | L | 56.5 | Low | 50.6 | Low | 153 Ų | 153 | 154.2 Ų | 154.2 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | trans | -58.4 | 121.9 | 166.2 | -71.4 | 168.1 | 0 | 0 | 0 | 107.3 | K300 Y304 | K300-L302 PolarHBondContact O-N 3.06Å; L302-Y304 PolarHBondContact O-N 3.42Å | ||
| 303 | K | 63.7 | Low | 50.5 | Low | 185 Ų | 185 | 160.2 Ų | 160.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -69.4 | 116.4 | 166 | -100.5 | -178.4 | 172.3 | -179.7 | 0 | 106.3 | K301 H305 | K301-K303 PolarHBondContact O-N 3.32Å; K303-H305 PolarHBondContact O-N 2.78Å | ||
| 304 | Y | 56.4 | Low | 50.5 | Low | 230 Ų | 230 | 159.7 Ų | 159.7 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | -62.2 | 104.7 | 168.6 | -67.7 | -86.5 | 0 | 0 | 0 | 108.1 | L302 Q306 | L302-Y304 PolarHBondContact O-N 3.42Å; Y304-Q306 PolarHBondContact O-N 2.95Å; Y304-Q306 VanDerWaalsContact O-N 3.11Å | ||
| 305 | H | 68.4 | Low | 50.5 | Low | 176 Ų | 176 | 160.2 Ų | 160.2 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | trans | -69.8 | 103.1 | 160.7 | -78 | -90.6 | 0 | 0 | 0 | 106.3 | K303 Y307 | K303-H305 PolarHBondContact O-N 2.78Å; H305-Y307 PolarHBondContact O-N 2.89Å | ||
| 306 | Q | 52.9 | Low | 50.6 | Low | 180 Ų | 180 | 159.7 Ų | 159.7 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | trans | -63.1 | 110 | 177.2 | -175.4 | 169.5 | 8.5 | 0 | 0 | 108 | Y304 V308 | Y304-Q306 PolarHBondContact O-N 2.95Å; Y304-Q306 VanDerWaalsContact O-N 3.11Å; Q306-V308 PolarHBondContact O-N 2.93Å | ||
| 307 | Y | 54.6 | Low | 50.9 | Low | 181 Ų | 181 | 155.3 Ų | 155.3 | 71% | 0.71 | 78% | 0.778 | S | S | * | * | trans | -68.1 | 105.6 | -179.8 | -175.9 | -96.7 | 0 | 0 | 0 | 109.1 | H305 P309 P310 | H305-Y307 PolarHBondContact O-N 2.89Å; Y307-P309 HydrophobicContact CD1-CG 4.36Å; Y307-P309 HydrophobicContact CE1-CB 4.26Å; Y307-P309 HydrophobicContact CE1-CG 4.39Å; Y307-P309 WeakPolarHBondContact O-CD 3.48Å; Y307-P310 WeakPolarHBondContact OH-CD 3.05Å | ||
| 308 | V | 48.3 | Very low | 50.5 | Low | 120 Ų | 120 | 158.4 Ų | 158.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -79.3 | 118.2 | 165.8 | 179 | 0 | 0 | 0 | 0 | 106.5 | Q306 P310 | Q306-V308 PolarHBondContact O-N 2.93Å; V308-P310 WeakPolarHBondContact O-CD 3.22Å | ||
| 309 | P | 48.3 | Very low | 50.4 | Low | 90 Ų | 90 | 151.7 Ų | 151.7 | 58% | 0.584 | 77% | 0.768 | S | S | * | * | trans | -63.9 | 127.2 | 178.5 | -21.4 | 33.8 | 0 | 0 | 0 | 110.8 | Y307 D311 | Y307-P309 HydrophobicContact CD1-CG 4.36Å; Y307-P309 HydrophobicContact CE1-CB 4.26Å; Y307-P309 HydrophobicContact CE1-CG 4.39Å; Y307-P309 WeakPolarHBondContact O-CD 3.48Å; P309-D311 VanDerWaalsContact C-N 3.25Å; P309-D311 PolarHBondContact O-N 3.09Å | ||
| 310 | P | 48.7 | Very low | 50.7 | Low | 109 Ų | 109 | 151.3 Ų | 151.3 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | trans | -77.3 | 80.2 | 168.4 | 32.4 | -32.2 | 0 | 0 | 0 | 109.1 | Y307 V308 | Y307-P310 WeakPolarHBondContact OH-CD 3.05Å; V308-P310 WeakPolarHBondContact O-CD 3.22Å | ||
| 311 | D | 48.2 | Very low | 49.9 | Very low | 117 Ų | 117 | 148.6 Ų | 148.6 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | trans | -72.5 | 148.7 | 174.8 | -165.7 | 0.2 | 0 | 0 | 0 | 111.4 | P309 K313 | P309-D311 VanDerWaalsContact C-N 3.25Å; P309-D311 PolarHBondContact O-N 3.09Å; D311-K313 PolarHBondContact O-N 2.78Å | ||
| 312 | Q | 50.7 | Low | 50 | Low | 156 Ų | 156 | 144.1 Ų | 144.1 | 73% | 0.729 | 75% | 0.746 | S | S | * | * | trans | 53 | 54.8 | 158.2 | -93.4 | 161.4 | 84.3 | 0 | 0 | 118.5 | ||||
| 313 | K | 37.1 | Very low | 50.6 | Low | 202 Ų | 202 | 139.6 Ų | 139.6 | 88% | 0.878 | 73% | 0.727 | S | S | * | * | trans | -127.5 | 100.9 | 149.8 | -63.7 | -64.3 | 156.8 | -152.4 | 0 | 111.4 | D311 | D311-K313 PolarHBondContact O-N 2.78Š| ||
| 314 | Q | 47.1 | Very low | 51.2 | Low | 192 Ų | 192 | 135.5 Ų | 135.5 | 90% | 0.897 | 72% | 0.721 | S | S | * | * | trans | -68.4 | 119.9 | 169.5 | 176.3 | -176.7 | 4 | 0 | 0 | 109.5 | ||||
| 315 | D | 33.8 | Very low | 52.3 | Low | 158 Ų | 158 | 132.6 Ų | 132.6 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | trans | -122.5 | 141 | 158.2 | -170.8 | 23.3 | 0 | 0 | 0 | 108.9 | G317 | D315-G317 PolarHBondContact O-N 2.83Š| ||
| 316 | A | 46.7 | Very low | 53.1 | Low | 94 Ų | 94 | 126.3 Ų | 126.3 | 78% | 0.777 | 69% | 0.689 | S | S | * | * | trans | -106.9 | 70.9 | -162.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 317 | G | 41.8 | Very low | 54.7 | Low | 58 Ų | 58 | 124.5 Ų | 124.5 | 60% | 0.598 | 67% | 0.674 | S | S | * | * | trans | -159.6 | 67.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D315 P319 | D315-G317 PolarHBondContact O-N 2.83Å; G317-P319 WeakPolarHBondContact O-CD 3.38Å | ||
| 318 | E | 37.9 | Very low | 56.6 | Low | 170 Ų | 170 | 120.3 Ų | 120.3 | 79% | 0.794 | 66% | 0.664 | S | S | * | * | trans | -73.1 | 115.4 | 172.6 | -178.1 | 180 | -133.8 | 0 | 0 | 110.3 | ||||
| 319 | P | 41.6 | Very low | 58.7 | Low | 95 Ų | 95 | 118.8 Ų | 118.8 | 62% | 0.617 | 65% | 0.651 | S | S | * | * | trans | -71.3 | 124.6 | 156.7 | 30.6 | -30.9 | 0 | 0 | 0 | 107.4 | G317 M321 | G317-P319 WeakPolarHBondContact O-CD 3.38Å; P319-M321 PolarHBondContact O-N 3.46Å | ||
| 320 | P | 54.1 | Low | 60.7 | Low | 117 Ų | 117 | 120.9 Ų | 120.9 | 76% | 0.76 | 65% | 0.653 | S | S | * | * | trans | -59.6 | 111.1 | -177.6 | 24 | -33.5 | 0 | 0 | 0 | 109.2 | D322 | P320-D322 PolarHBondContact O-N 2.89Š| ||
| 321 | M | 48.8 | Very low | 62.6 | Low | 131 Ų | 131 | 122.1 Ų | 122.1 | 65% | 0.645 | 65% | 0.649 | S | S | * | * | trans | -83.6 | 50.4 | -159 | -127.2 | -63.1 | -71.3 | 0 | 0 | 113.2 | P319 S323 | P319-M321 PolarHBondContact O-N 3.46Å; M321-S323 PolarHBondContact O-N 3.26Å | ||
| 322 | D | 63.3 | Low | 64.6 | Low | 112 Ų | 112 | 122.6 Ų | 122.6 | 60% | 0.599 | 65% | 0.648 | S | S | * | * | trans | -78.2 | 49.9 | -179.6 | -156.5 | 2.5 | 0 | 0 | 0 | 111.5 | P320 R327 | P320-D322 PolarHBondContact O-N 2.89Å; D322-R327 IonicContact OD1-CZ 3.25Å; D322-R327 IonicContact OD1-NE 2.71Å; D322-R327 PolarHBondContact OD1-NE 3.49Å; D322-R327 IonicContact OD1-NH2 3.51Å; D322-R327 PolarHBondContact OD1-NH2 2.95Å; D322-R327 IonicContact OD2-NH2 3.07Å; D322-R327 PolarHBondContact OD2-NH2 2.88Å | ||
| 323 | S | 71.1 | Confident | 66.5 | Low | 59 Ų | 59 | 121.6 Ų | 121.6 | 41% | 0.413 | 64% | 0.643 | S | S | . | * | trans | -86.9 | 139.3 | 177.2 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | M321 Y325 A326 | M321-S323 PolarHBondContact O-N 3.26Å; S323-Y325 PolarHBondContact O-N 3.23Å; S323-A326 WeakPolarHBondContact O-CB 3.26Å; S323-A326 PolarHBondContact O-N 2.92Å | ||
| 324 | S | 76.3 | Confident | 69.1 | Low | 98 Ų | 98 | 118 Ų | 118 | 69% | 0.685 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -48.1 | -34.3 | -167.8 | 57.9 | 0 | 0 | 0 | 0 | 115.4 | R327 L328 | S324-R327 PolarHBondContact O-N 3.48Å; S324-L328 WeakPolarHBondContact O-CB 3.34Å; S324-L328 PolarHBondContact O-N 3.15Å |
| 325 | Y | 78.4 | Confident | 71.4 | Confident | 169 Ų | 169 | 115 Ų | 115 | 66% | 0.663 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.7 | -38.7 | 177.7 | -173.7 | -100.5 | 0 | 0 | 0 | 113.2 | S323 L328 L329 | S323-Y325 PolarHBondContact O-N 3.23Å; Y325-L328 PolarHBondContact O-N 2.87Å; Y325-L329 WeakPolarHBondContact O-CB 3.38Å; Y325-L329 PolarHBondContact O-N 3.41Å |
| 326 | A | 84.5 | Confident | 74.2 | Confident | 45 Ų | 45 | 112 Ų | 112 | 37% | 0.372 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.8 | -41.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | S323 L329 Q330 | S323-A326 WeakPolarHBondContact O-CB 3.26Å; S323-A326 PolarHBondContact O-N 2.92Å; A326-L329 PolarHBondContact O-N 3.44Å; A326-Q330 WeakPolarHBondContact O-CB 3.28Å; A326-Q330 PolarHBondContact O-N 2.84Å |
| 327 | R | 87.8 | Confident | 76.3 | Confident | 142 Ų | 142 | 112.4 Ų | 112.4 | 54% | 0.536 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.7 | -36.3 | 176 | -161.8 | 178.1 | -66.5 | -160.6 | -1.6 | 112.3 | D322 S324 Q331 | D322-R327 IonicContact OD1-CZ 3.25Å; D322-R327 IonicContact OD1-NE 2.71Å; D322-R327 PolarHBondContact OD1-NE 3.49Å; D322-R327 IonicContact OD1-NH2 3.51Å; D322-R327 PolarHBondContact OD1-NH2 2.95Å; D322-R327 IonicContact OD2-NH2 3.07Å; D322-R327 PolarHBondContact OD2-NH2 2.88Å; S324-R327 PolarHBondContact O-N 3.48Å; R327-Q331 WeakPolarHBondContact O-CB 3.39Å; R327-Q331 PolarHBondContact O-N 2.95Å |
| 328 | L | 93.3 | Very high | 78.6 | Confident | 93 Ų | 93 | 115.2 Ų | 115.2 | 49% | 0.487 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.6 | -41.5 | 172.9 | -179.5 | 62.6 | 0 | 0 | 0 | 112 | S324 Y325 Q331 Q332 | S324-L328 WeakPolarHBondContact O-CB 3.34Å; S324-L328 PolarHBondContact O-N 3.15Å; Y325-L328 PolarHBondContact O-N 2.87Å; L328-Q331 PolarHBondContact O-N 3.32Å; L328-Q332 WeakPolarHBondContact O-CB 3.44Å; L328-Q332 PolarHBondContact O-N 2.99Å |
| 329 | L | 92.3 | Very high | 81 | Confident | 87 Ų | 87 | 112.2 Ų | 112.2 | 46% | 0.455 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.6 | -44.4 | 175.9 | -175.4 | 64.2 | 0 | 0 | 0 | 111 | Y325 A326 Q332 Q333 | Y325-L329 WeakPolarHBondContact O-CB 3.38Å; Y325-L329 PolarHBondContact O-N 3.41Å; A326-L329 PolarHBondContact O-N 3.44Å; L329-Q332 PolarHBondContact O-N 2.83Å; L329-Q333 WeakPolarHBondContact O-CB 3.33Å; L329-Q333 PolarHBondContact O-N 3.35Å |
| 330 | Q | 90.6 | Very high | 83.4 | Confident | 134 Ų | 134 | 111.7 Ų | 111.7 | 63% | 0.626 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59.1 | -46.2 | 172.8 | -173.9 | -172.3 | 52.6 | 0 | 0 | 111.4 | A326 Q332 Q333 L334 | A326-Q330 WeakPolarHBondContact O-CB 3.28Å; A326-Q330 PolarHBondContact O-N 2.84Å; Q330-Q332 PolarHBondContact O-N 3.38Å; Q330-Q333 PolarHBondContact O-N 2.85Å; Q330-L334 WeakPolarHBondContact O-CB 3.46Å; Q330-L334 PolarHBondContact O-N 3.4Å |
| 331 | Q | 89.3 | Confident | 85 | Confident | 135 Ų | 135 | 110.4 Ų | 110.4 | 63% | 0.631 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.2 | -42 | 176.2 | -178.7 | -179.9 | 91.2 | 0 | 0 | 112 | R327 L328 L334 F335 | R327-Q331 WeakPolarHBondContact O-CB 3.39Å; R327-Q331 PolarHBondContact O-N 2.95Å; L328-Q331 PolarHBondContact O-N 3.32Å; Q331-L334 PolarHBondContact O-N 2.94Å; Q331-F335 WeakPolarHBondContact O-CB 3.47Å; Q331-F335 PolarHBondContact O-N 2.74Å |
| 332 | Q | 89.4 | Confident | 86.8 | Confident | 128 Ų | 128 | 107.4 Ų | 107.4 | 60% | 0.598 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.3 | -39.3 | 177.5 | -164.3 | -176.7 | 122.8 | 0 | 0 | 111.7 | L328 L329 Q330 F335 L336 | L328-Q332 WeakPolarHBondContact O-CB 3.44Å; L328-Q332 PolarHBondContact O-N 2.99Å; L329-Q332 PolarHBondContact O-N 2.83Å; Q330-Q332 PolarHBondContact O-N 3.38Å; Q332-F335 PolarHBondContact O-N 3.33Å; Q332-L336 WeakPolarHBondContact O-CB 3.46Å; Q332-L336 PolarHBondContact O-N 3.03Å |
| 333 | Q | 91.2 | Very high | 87.9 | Confident | 135 Ų | 135 | 108.1 Ų | 108.1 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.3 | -38.7 | 175.6 | -169.7 | 148.7 | 50 | 0 | 0 | 111.8 | L329 Q330 L336 Q337 | L329-Q333 WeakPolarHBondContact O-CB 3.33Å; L329-Q333 PolarHBondContact O-N 3.35Å; Q330-Q333 PolarHBondContact O-N 2.85Å; Q333-L336 PolarHBondContact O-N 3.29Å; Q333-Q337 VanDerWaalsContact O-CB 3.3Å; Q333-Q337 WeakPolarHBondContact O-CB 3.32Å; Q333-Q337 PolarHBondContact O-N 2.95Å |
| 334 | L | 92.7 | Very high | 88.3 | Confident | 127 Ų | 127 | 110.1 Ų | 110.1 | 67% | 0.665 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.2 | -40.2 | 174.2 | -151.1 | 80.1 | 0 | 0 | 0 | 111.8 | Q330 Q331 Q337 L338 | Q330-L334 WeakPolarHBondContact O-CB 3.46Å; Q330-L334 PolarHBondContact O-N 3.4Å; Q331-L334 PolarHBondContact O-N 2.94Å; L334-Q337 PolarHBondContact O-N 3.43Å; L334-L338 WeakPolarHBondContact O-CB 3.28Å; L334-L338 PolarHBondContact O-N 3.49Å |
| 335 | F | 93.6 | Very high | 88.3 | Confident | 129 Ų | 129 | 111.5 Ų | 111.5 | 57% | 0.566 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.4 | -46.2 | 173.6 | 177.2 | -92.3 | 0 | 0 | 0 | 111.6 | Q331 Q332 L338 Q339 | Q331-F335 WeakPolarHBondContact O-CB 3.47Å; Q331-F335 PolarHBondContact O-N 2.74Å; Q332-F335 PolarHBondContact O-N 3.33Å; F335-L338 PolarHBondContact O-N 3.13Å; F335-Q339 WeakPolarHBondContact O-CB 3.46Å; F335-Q339 PolarHBondContact O-N 2.97Å |
| 336 | L | 94 | Very high | 87.9 | Confident | 95 Ų | 95 | 110.5 Ų | 110.5 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 176.8 | -174.9 | 64.2 | 0 | 0 | 0 | 111.5 | Q332 Q333 L338 Q339 I340 | Q332-L336 WeakPolarHBondContact O-CB 3.46Å; Q332-L336 PolarHBondContact O-N 3.03Å; Q333-L336 PolarHBondContact O-N 3.29Å; L336-L338 VanDerWaalsContact C-N 3.33Å; L336-L338 PolarHBondContact O-N 3.07Å; L336-Q339 PolarHBondContact O-N 2.81Å; L336-I340 HydrophobicContact CG-CD1 4.09Å; L336-I340 VanDerWaalsContact O-CG1 3.3Å; L336-I340 WeakPolarHBondContact O-CG1 3.36Å; L336-I340 PolarHBondContact O-N 3.07Å |
| 337 | Q | 90.1 | Very high | 87.2 | Confident | 101 Ų | 101 | 114.6 Ų | 114.6 | 47% | 0.472 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.2 | -43.6 | 175 | -171.6 | 65.4 | 73.5 | 0 | 0 | 111.6 | Q333 L334 I340 L341 | Q333-Q337 VanDerWaalsContact O-CB 3.3Å; Q333-Q337 WeakPolarHBondContact O-CB 3.32Å; Q333-Q337 PolarHBondContact O-N 2.95Å; L334-Q337 PolarHBondContact O-N 3.43Å; Q337-I340 PolarHBondContact O-N 2.71Å; Q337-L341 HydrophobicContact CG-CD1 4.22Å; Q337-L341 WeakPolarHBondContact O-CB 3.42Å; Q337-L341 VanDerWaalsContact O-CG 3.26Å; Q337-L341 WeakPolarHBondContact O-CG 3.45Å; Q337-L341 PolarHBondContact O-N 3.24Å |
| 338 | L | 90.8 | Very high | 86.1 | Confident | 118 Ų | 118 | 113.1 Ų | 113.1 | 62% | 0.618 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.7 | -35.9 | 176.1 | -173 | 64.9 | 0 | 0 | 0 | 112.2 | L334 F335 L336 L341 S342 | L334-L338 WeakPolarHBondContact O-CB 3.28Å; L334-L338 PolarHBondContact O-N 3.49Å; F335-L338 PolarHBondContact O-N 3.13Å; L336-L338 VanDerWaalsContact C-N 3.33Å; L336-L338 PolarHBondContact O-N 3.07Å; L338-L341 PolarHBondContact O-N 3.37Å; L338-S342 VanDerWaalsContact O-CB 3.25Å; L338-S342 WeakPolarHBondContact O-CB 3.38Å; L338-S342 PolarHBondContact O-N 3.09Å |
| 339 | Q | 88.1 | Confident | 84.2 | Confident | 107 Ų | 107 | 113.5 Ų | 113.5 | 50% | 0.5 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69 | -39.2 | 176.7 | -169.5 | 167.5 | 19.3 | 0 | 0 | 111.9 | F335 L336 S342 Q343 | F335-Q339 WeakPolarHBondContact O-CB 3.46Å; F335-Q339 PolarHBondContact O-N 2.97Å; L336-Q339 PolarHBondContact O-N 2.81Å; Q339-S342 PolarHBondContact O-N 3.45Å; Q339-Q343 WeakPolarHBondContact O-CB 3.3Å; Q339-Q343 PolarHBondContact O-N 3.37Å |
| 340 | I | 91.6 | Very high | 82.3 | Confident | 84 Ų | 84 | 116.4 Ų | 116.4 | 43% | 0.431 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.6 | -48.2 | 171.9 | -67.7 | 163.6 | 0 | 0 | 0 | 110.3 | L336 Q337 S342 Q343 Q344 | L336-I340 HydrophobicContact CG-CD1 4.09Å; L336-I340 VanDerWaalsContact O-CG1 3.3Å; L336-I340 WeakPolarHBondContact O-CG1 3.36Å; L336-I340 PolarHBondContact O-N 3.07Å; Q337-I340 PolarHBondContact O-N 2.71Å; I340-S342 VanDerWaalsContact C-N 3.33Å; I340-S342 PolarHBondContact O-N 3.25Å; I340-Q343 PolarHBondContact O-N 3.39Å; I340-Q344 WeakPolarHBondContact O-CB 3.32Å; I340-Q344 PolarHBondContact O-N 2.89Å |
| 341 | L | 87.6 | Confident | 80.2 | Confident | 90 Ų | 90 | 118 Ų | 118 | 47% | 0.471 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.7 | -37 | 177.9 | -73.6 | 168 | 0 | 0 | 0 | 112.6 | Q337 L338 Q344 Q345 | Q337-L341 HydrophobicContact CG-CD1 4.22Å; Q337-L341 WeakPolarHBondContact O-CB 3.42Å; Q337-L341 VanDerWaalsContact O-CG 3.26Å; Q337-L341 WeakPolarHBondContact O-CG 3.45Å; Q337-L341 PolarHBondContact O-N 3.24Å; L338-L341 PolarHBondContact O-N 3.37Å; L341-Q344 PolarHBondContact O-N 2.84Å; L341-Q345 VanDerWaalsContact O-CB 3.28Å; L341-Q345 WeakPolarHBondContact O-CB 3.29Å; L341-Q345 PolarHBondContact O-N 3.36Å |
| 342 | S | 87.8 | Confident | 78.1 | Confident | 67 Ų | 67 | 115 Ų | 115 | 47% | 0.469 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.3 | -44.9 | 174.5 | -176.5 | 0 | 0 | 0 | 0 | 112 | L338 Q339 I340 Q345 Q346 | L338-S342 VanDerWaalsContact O-CB 3.25Å; L338-S342 WeakPolarHBondContact O-CB 3.38Å; L338-S342 PolarHBondContact O-N 3.09Å; Q339-S342 PolarHBondContact O-N 3.45Å; I340-S342 VanDerWaalsContact C-N 3.33Å; I340-S342 PolarHBondContact O-N 3.25Å; S342-Q345 PolarHBondContact O-N 3.1Å; S342-Q346 PolarHBondContact O-N 2.9Å |
| 343 | Q | 85.6 | Confident | 75.9 | Confident | 127 Ų | 127 | 117 Ų | 117 | 59% | 0.593 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.2 | -42.6 | 175.4 | -172.7 | 179 | 105.8 | 0 | 0 | 111.7 | Q339 I340 Q346 Q347 | Q339-Q343 WeakPolarHBondContact O-CB 3.3Å; Q339-Q343 PolarHBondContact O-N 3.37Å; I340-Q343 PolarHBondContact O-N 3.39Å; Q343-Q346 WeakPolarHBondContact O-CB 3.2Å; Q343-Q346 PolarHBondContact O-N 2.92Å; Q343-Q347 PolarHBondContact O-N 2.77Å |
| 344 | Q | 78.6 | Confident | 73.8 | Confident | 101 Ų | 101 | 118.2 Ų | 118.2 | 47% | 0.472 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.6 | -37.8 | 177.1 | -162.2 | -173.9 | 100.9 | 0 | 0 | 111.5 | I340 L341 Q346 Q347 Q348 | I340-Q344 WeakPolarHBondContact O-CB 3.32Å; I340-Q344 PolarHBondContact O-N 2.89Å; L341-Q344 PolarHBondContact O-N 2.84Å; Q344-Q346 VanDerWaalsContact C-N 3.31Å; Q344-Q346 PolarHBondContact O-N 2.74Å; Q344-Q347 PolarHBondContact O-N 3.45Å; Q344-Q348 WeakPolarHBondContact O-CB 3.34Å; Q344-Q348 WeakPolarHBondContact O-CG 3.41Å; Q344-Q348 PolarHBondContact O-N 3.34Å |
| 345 | Q | 76.5 | Confident | 71.3 | Confident | 128 Ų | 128 | 116.4 Ų | 116.4 | 60% | 0.598 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.1 | -38.9 | 171.3 | -176.9 | 177.5 | 86.2 | 0 | 0 | 111.3 | L341 S342 Q348 Q349 | L341-Q345 VanDerWaalsContact O-CB 3.28Å; L341-Q345 WeakPolarHBondContact O-CB 3.29Å; L341-Q345 PolarHBondContact O-N 3.36Å; S342-Q345 PolarHBondContact O-N 3.1Å; Q345-Q348 PolarHBondContact O-N 2.88Å; Q345-Q349 WeakPolarHBondContact O-CG 3.42Å; Q345-Q349 PolarHBondContact O-N 2.87Å |
| 346 | Q | 71.3 | Confident | 69.1 | Low | 148 Ų | 148 | 115.6 Ų | 115.6 | 69% | 0.692 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.1 | -36.3 | 176.7 | -165.7 | 171.9 | -2.6 | 0 | 0 | 112.2 | S342 Q343 Q344 H350 | S342-Q346 PolarHBondContact O-N 2.9Å; Q343-Q346 WeakPolarHBondContact O-CB 3.2Å; Q343-Q346 PolarHBondContact O-N 2.92Å; Q344-Q346 VanDerWaalsContact C-N 3.31Å; Q344-Q346 PolarHBondContact O-N 2.74Å; Q346-H350 PolarHBondContact O-N 3.37Å |
| 347 | Q | 69.4 | Low | 66.2 | Low | 130 Ų | 130 | 118.3 Ų | 118.3 | 61% | 0.607 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.9 | -46.5 | 169 | -73 | -174.3 | -6.6 | 0 | 0 | 112.4 | Q343 Q344 Q349 H350 Y351 | Q343-Q347 PolarHBondContact O-N 2.77Å; Q344-Q347 PolarHBondContact O-N 3.45Å; Q347-Q349 VanDerWaalsContact C-N 3.32Å; Q347-Q349 PolarHBondContact O-N 3.37Å; Q347-H350 CarbonylContact O-C 3.59Å; Q347-H350 WeakPolarHBondContact O-CA 3.41Å; Q347-H350 PolarHBondContact O-N 2.89Å; Q347-Y351 WeakPolarHBondContact O-CB 3.34Å; Q347-Y351 PolarHBondContact O-N 2.88Å |
| 348 | Q | 64 | Low | 63.7 | Low | 111 Ų | 111 | 119 Ų | 119 | 52% | 0.519 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -55.9 | -43.6 | 177.4 | -75.2 | -89.5 | 11.1 | 0 | 0 | 111.7 | Q344 Q345 H350 Y351 N352 | Q344-Q348 WeakPolarHBondContact O-CB 3.34Å; Q344-Q348 WeakPolarHBondContact O-CG 3.41Å; Q344-Q348 PolarHBondContact O-N 3.34Å; Q345-Q348 PolarHBondContact O-N 2.88Å; Q348-H350 VanDerWaalsContact C-N 3.34Å; Q348-H350 PolarHBondContact O-N 2.94Å; Q348-Y351 PolarHBondContact O-N 3.27Å; Q348-N352 WeakPolarHBondContact O-CB 3.44Å; Q348-N352 PolarHBondContact O-N 3.37Å |
| 349 | Q | 53.9 | Low | 60.9 | Low | 102 Ų | 102 | 117.8 Ų | 117.8 | 48% | 0.477 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.5 | -43.1 | 172.8 | -70.3 | -66.4 | -63.2 | 0 | 0 | 111.5 | Q345 Q347 Y351 Y353 | Q345-Q349 WeakPolarHBondContact O-CG 3.42Å; Q345-Q349 PolarHBondContact O-N 2.87Å; Q347-Q349 VanDerWaalsContact C-N 3.32Å; Q347-Q349 PolarHBondContact O-N 3.37Å; Q349-Y351 VanDerWaalsContact C-N 3.32Å; Q349-Y351 PolarHBondContact O-N 2.93Å; Q349-Y353 VanDerWaalsContact O-CD2 3.27Å; Q349-Y353 WeakPolarHBondContact O-CD2 3.28Å; Q349-Y353 PolarHBondContact O-N 2.8Å |
| 350 | H | 53 | Low | 58.2 | Low | 148 Ų | 148 | 118.3 Ų | 118.3 | 69% | 0.685 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.9 | -25.9 | 179.6 | -151.8 | -56.2 | 0 | 0 | 0 | 113.7 | Q346 Q347 Q348 | Q346-H350 PolarHBondContact O-N 3.37Å; Q347-H350 CarbonylContact O-C 3.59Å; Q347-H350 WeakPolarHBondContact O-CA 3.41Å; Q347-H350 PolarHBondContact O-N 2.89Å; Q348-H350 VanDerWaalsContact C-N 3.34Å; Q348-H350 PolarHBondContact O-N 2.94Å |
| 351 | Y | 45.3 | Very low | 55.5 | Low | 167 Ų | 167 | 122 Ų | 122 | 66% | 0.655 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -83.4 | -41.4 | 177.2 | -163.2 | -90.5 | 0 | 0 | 0 | 112.2 | Q347 Q348 Q349 Q354 T355 | Q347-Y351 WeakPolarHBondContact O-CB 3.34Å; Q347-Y351 PolarHBondContact O-N 2.88Å; Q348-Y351 PolarHBondContact O-N 3.27Å; Q349-Y351 VanDerWaalsContact C-N 3.32Å; Q349-Y351 PolarHBondContact O-N 2.93Å; Y351-Q354 PolarHBondContact O-N 3.26Å; Y351-T355 HydrophobicContact CE1-CG2 4.23Å; Y351-T355 PolarHBondContact O-N 3.49Å; Y351-T355 PolarHBondContact O-OG1 2.85Å |
| 352 | N | 46.2 | Very low | 52.7 | Low | 72 Ų | 72 | 127.2 Ų | 127.2 | 39% | 0.385 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.8 | -38.3 | -177 | -168.2 | -105.6 | 0 | 0 | 0 | 112.7 | Q348 Q354 T355 I356 | Q348-N352 WeakPolarHBondContact O-CB 3.44Å; Q348-N352 PolarHBondContact O-N 3.37Å; N352-Q354 PolarHBondContact O-N 3.22Å; N352-T355 WeakPolarHBondContact CA-OG1 3.49Å; N352-T355 PolarHBondContact O-N 3.1Å; N352-T355 VanDerWaalsContact O-N 3.15Å; N352-T355 PolarHBondContact O-OG1 3.11Å; N352-I356 WeakPolarHBondContact ND2-CD1 3.28Å; N352-I356 PolarHBondContact O-N 3.11Å |
| 353 | Y | 42.8 | Very low | 49.9 | Very low | 170 Ų | 170 | 130.2 Ų | 130.2 | 67% | 0.667 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.1 | -20.3 | 173.8 | -86.5 | -104.1 | 0 | 0 | 0 | 113.7 | Q349 | Q349-Y353 VanDerWaalsContact O-CD2 3.27Å; Q349-Y353 WeakPolarHBondContact O-CD2 3.28Å; Q349-Y353 PolarHBondContact O-N 2.8Å |
| 354 | Q | 46.4 | Very low | 47 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 75% | 0.752 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -86.6 | -15.4 | 174.9 | -73.3 | -77.8 | 94.5 | 0 | 0 | 113.2 | Y351 N352 | Y351-Q354 PolarHBondContact O-N 3.26Å; N352-Q354 PolarHBondContact O-N 3.22Å |
| 355 | T | 41 | Very low | 44.6 | Very low | 88 Ų | 88 | 130.4 Ų | 130.4 | 54% | 0.54 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -108.6 | -16.1 | -174.3 | 34.4 | 0 | 0 | 0 | 0 | 114.7 | Y351 N352 | Y351-T355 HydrophobicContact CE1-CG2 4.23Å; Y351-T355 PolarHBondContact O-N 3.49Å; Y351-T355 PolarHBondContact O-OG1 2.85Å; N352-T355 WeakPolarHBondContact CA-OG1 3.49Å; N352-T355 PolarHBondContact O-N 3.1Å; N352-T355 VanDerWaalsContact O-N 3.15Å; N352-T355 PolarHBondContact O-OG1 3.11Å |
| 356 | I | 46.9 | Very low | 42.3 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 57% | 0.574 | 70% | 0.704 | S | S | * | * | trans | -115.5 | 60.9 | -178.1 | -43.3 | -176.4 | 0 | 0 | 0 | 112.2 | N352 | N352-I356 WeakPolarHBondContact ND2-CD1 3.28Å; N352-I356 PolarHBondContact O-N 3.11Å | ||
| 357 | L | 33.1 | Very low | 40.2 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 80% | 0.801 | 71% | 0.705 | S | S | * | * | trans | -112.2 | 103 | 161.5 | -100.5 | 167.9 | 0 | 0 | 0 | 109.3 | A359 | L357-A359 PolarHBondContact O-N 3.25Š| ||
| 358 | P | 38.2 | Very low | 38.3 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 74% | 0.74 | 72% | 0.715 | S | S | * | * | trans | -60.8 | 127.2 | 172.2 | -22.2 | 33.7 | 0 | 0 | 0 | 110.6 | S360 | P358-S360 PolarHBondContact O-N 3.47Š| ||
| 359 | A | 32.3 | Very low | 36.5 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | trans | -61.7 | 128.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L357 L361 | L357-A359 PolarHBondContact O-N 3.25Å; A359-L361 PolarHBondContact O-N 3.41Å | ||
| 360 | S | 30.9 | Very low | 35.3 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | trans | -74.4 | 91.1 | -177.3 | 50.3 | 0 | 0 | 0 | 0 | 111.9 | P358 K362 | P358-S360 PolarHBondContact O-N 3.47Å; S360-K362 PolarHBondContact O-N 3.39Å | ||
| 361 | L | 33.5 | Very low | 34 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 125.7 | 165.9 | -67.6 | 175.5 | 0 | 0 | 0 | 109.6 | A359 | A359-L361 PolarHBondContact O-N 3.41Š|
| 362 | K | 29.6 | Very low | 33.4 | Very low | 199 Ų | 199 | 130.7 Ų | 130.7 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 128.3 | 170.8 | -67 | 177.9 | -179.7 | 175.5 | 0 | 108.8 | S360 | S360-K362 PolarHBondContact O-N 3.39Š|
| 363 | P | 28.8 | Very low | 32.6 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 134.4 | 162.8 | 30.2 | -32.1 | 0 | 0 | 0 | 109 | ||
| 364 | V | 25.3 | Very low | 32 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -113.5 | 131.4 | 159.9 | 76.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 365 | A | 27.8 | Very low | 31.3 | Very low | 91 Ų | 91 | 127.4 Ų | 127.4 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | -90.7 | 159.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 366 | E | 28.5 | Very low | 31.8 | Very low | 198 Ų | 198 | 129 Ų | 129 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | trans | -73 | 137.6 | -162.9 | -58.6 | 154.8 | 108 | 0 | 0 | 114 | ||||
| 367 | S | 26.9 | Very low | 31 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | -164 | 114.7 | 133.6 | -160 | 0 | 0 | 0 | 0 | 114 | ||||
| 368 | Q | 29.4 | Very low | 30.9 | Very low | 174 Ų | 174 | 125.9 Ų | 125.9 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | 44.4 | 114.9 | 140.1 | -55.2 | -175.7 | 38.4 | 0 | 0 | 122.4 | ||||
| 369 | S | 26.4 | Very low | 30.8 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | 94 | 132 | 130.6 | 81.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 370 | S | 28.3 | Very low | 30.8 | Very low | 122 Ų | 122 | 130.2 Ų | 130.2 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | 63 | 102.4 | 138 | -57.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 371 | G | 27 | Very low | 30.9 | Very low | 70 Ų | 70 | 131.2 Ų | 131.2 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | 115.5 | 115.7 | 108.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 372 | V | 31.7 | Very low | 30.7 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 98% | 0.982 | 82% | 0.818 | S | S | * | * | trans | 61.6 | 130.8 | 141 | -165.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 373 | G | 30.6 | Very low | 30.6 | Very low | 70 Ų | 70 | 127.8 Ų | 127.8 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | trans | 149.3 | 90.4 | 146.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 374 | A | 28.3 | Very low | 31.3 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | 22.4 | 118.7 | 143.3 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 375 | L | 33.3 | Very low | 31.3 | Very low | 172 Ų | 172 | 126.5 Ų | 126.5 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | 57.6 | 158.7 | 121.3 | -62.4 | 179.1 | 0 | 0 | 0 | 123.4 | |||||
| 376 | P | 51.8 | Low | 31.5 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | trans | -120.4 | 163.6 | -162.4 | 42.4 | -29.9 | 0 | 0 | 0 | 117 | ||||
| 377 | A | 30.2 | Very low | 31.9 | Very low | 100 Ų | 100 | 122.7 Ų | 122.7 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -152.1 | 156.5 | 154.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 378 | S | 30 | Very low | 32.2 | Very low | 100 Ų | 100 | 123.5 Ų | 123.5 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | cis | 148.7 | 114.2 | -10 | -179.7 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 379 | I | 36.3 | Very low | 32.6 | Very low | 155 Ų | 155 | 124 Ų | 124 | 80% | 0.795 | 81% | 0.807 | S | S | * | * | trans | 33.4 | 115.9 | 150.2 | -53.2 | 169.4 | 0 | 0 | 0 | 118.7 | ||||
| 380 | V | 31.3 | Very low | 32.9 | Very low | 143 Ų | 143 | 124.2 Ų | 124.2 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | -155.5 | 148.7 | 125.9 | -100.6 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 381 | V | 32.9 | Very low | 32.8 | Very low | 138 Ų | 138 | 126.7 Ų | 126.7 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -102.7 | 124.3 | 173.3 | 171.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 382 | S | 30.1 | Very low | 33.2 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -172.3 | 154.7 | 155.2 | -85.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 383 | L | 26.9 | Very low | 33.5 | Very low | 165 Ų | 165 | 125.9 Ų | 125.9 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -151.8 | 156.6 | 179.4 | -166.2 | 81.2 | 0 | 0 | 0 | 106.5 | ||||
| 384 | P | 44.3 | Very low | 33.6 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | cis | -118.2 | 177.9 | -13.2 | 13.6 | 10.9 | 0 | 0 | 0 | 113.2 | ||||
| 385 | T | 25.5 | Very low | 34.1 | Very low | 138 Ų | 138 | 128.2 Ų | 128.2 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | 166.8 | 142.8 | 127.4 | -72.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 386 | A | 30.8 | Very low | 34.1 | Very low | 86 Ų | 86 | 125.9 Ų | 125.9 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -110.6 | 157.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 387 | P | 38.7 | Very low | 33.1 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | -147.5 | -157.1 | 69.9 | 42.7 | -22.2 | 0 | 0 | 0 | 111.7 | |||||
| 388 | P | 33.1 | Very low | 33.2 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | cis | -126.7 | -176.4 | -9.4 | 42.2 | -25.8 | 0 | 0 | 0 | 115.2 | ||||
| 389 | Q | 36.4 | Very low | 33.3 | Very low | 184 Ų | 184 | 133.3 Ų | 133.3 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -102.4 | 159.7 | 172.8 | -68.3 | -172.6 | -39.3 | 0 | 0 | 112.9 | ||||
| 390 | P | 33.2 | Very low | 33.4 | Very low | 115 Ų | 115 | 133 Ų | 133 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | trans | -133.2 | 126.5 | 143.4 | 33.4 | -18.8 | 0 | 0 | 0 | 114.8 | ||||
| 391 | L | 27.2 | Very low | 33.7 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | trans | 50.2 | 129.7 | 139.6 | -59.1 | 167.4 | 0 | 0 | 0 | 121.9 | ||||
| 392 | A | 34.3 | Very low | 34 | Very low | 93 Ų | 93 | 134 Ų | 134 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -100.5 | 163.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 393 | P | 38 | Very low | 34.6 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | -148.3 | -162.4 | 76.5 | 43.1 | -24.5 | 0 | 0 | 0 | 112.5 | |||||
| 394 | P | 32.2 | Very low | 35.5 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | cis | -118.6 | -177.5 | -17.2 | 40.7 | -26.7 | 0 | 0 | 0 | 113.5 | ||||
| 395 | A | 38.6 | Very low | 35.3 | Very low | 88 Ų | 88 | 132.6 Ų | 132.6 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -91.7 | 157.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 396 | P | 35.1 | Very low | 36.4 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | -139.6 | -151.7 | 95.4 | 43 | -28 | 0 | 0 | 0 | 113.4 | |||||
| 397 | P | 29.5 | Very low | 37.4 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | -86.2 | 154.9 | -120.9 | 39.1 | -28.9 | 0 | 0 | 0 | 115.8 | |||
| 398 | R | 32.4 | Very low | 38.2 | Very low | 238 Ų | 238 | 138 Ų | 138 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 132.3 | 167.8 | -73.8 | 179.8 | 171 | 168.9 | -3.5 | 111.2 | ||
| 399 | P | 33.5 | Very low | 39.6 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -80 | 122.5 | 173.4 | 31.1 | -32.6 | 0 | 0 | 0 | 111.8 | ||
| 400 | N | 38.1 | Very low | 41.2 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 158.9 | 161.7 | -81.6 | -24.4 | 0 | 0 | 0 | 109.9 | ||
| 401 | N | 37.4 | Very low | 43.5 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 67% | 0.674 | 72% | 0.717 | S | S | * | * | trans | 59.2 | 104.3 | 169.3 | -70.5 | -37.3 | 0 | 0 | 0 | 117.9 | A404 | N401-A404 HydrophobicContact CB-CB 4.27Š| ||
| 402 | L | 37.9 | Very low | 45.8 | Very low | 176 Ų | 176 | 121 Ų | 121 | 92% | 0.921 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -119.9 | 14.2 | 164.3 | -76.7 | 177.6 | 0 | 0 | 0 | 115 | ||
| 403 | L | 44.6 | Very low | 47.6 | Very low | 141 Ų | 141 | 121.2 Ų | 121.2 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -126.6 | -2.5 | 171.8 | -92.4 | 169.2 | 0 | 0 | 0 | 114.9 | ||
| 404 | A | 44.2 | Very low | 49.7 | Very low | 70 Ų | 70 | 118.3 Ų | 118.3 | 58% | 0.579 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -93.6 | -2.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N401 | N401-A404 HydrophobicContact CB-CB 4.27Š|
| 405 | N | 41.3 | Very low | 52.3 | Low | 158 Ų | 158 | 112.5 Ų | 112.5 | 85% | 0.845 | 64% | 0.635 | S | S | * | * | trans | -125.7 | 23 | -170 | -130.6 | 5.3 | 0 | 0 | 0 | 113.8 | ||||
| 406 | R | 47 | Very low | 54.7 | Low | 201 Ų | 201 | 113.3 Ų | 113.3 | 76% | 0.758 | 63% | 0.627 | S | S | * | * | trans | -84.1 | 108.2 | 161.2 | -80.5 | -80 | 171.5 | 149.1 | -4.4 | 107.3 | ||||
| 407 | K | 51.8 | Low | 57.2 | Low | 196 Ų | 196 | 114.7 Ų | 114.7 | 85% | 0.852 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 129.2 | 170.9 | -167 | 173.7 | -174.7 | 178.3 | 0 | 108.2 | G409 | K407-G409 PolarHBondContact O-N 3.18Š|
| 408 | P | 55.9 | Low | 59.9 | Low | 61 Ų | 61 | 110.4 Ų | 110.4 | 40% | 0.396 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -55.1 | 131.5 | -174.9 | -28.5 | 35.6 | 0 | 0 | 0 | 111.9 | R430 | P408-R430 HydrophobicContact CB-CG 4.25Å; P408-R430 HydrophobicContact CG-CG 4.18Å |
| 409 | G | 63.7 | Low | 62.8 | Low | 48 Ų | 48 | 105.8 Ų | 105.8 | 50% | 0.495 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -73.4 | 169.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K407 L411 R430 | K407-G409 PolarHBondContact O-N 3.18Å; G409-L411 PolarHBondContact O-N 3.34Å; G409-R430 PolarHBondContact O-NH2 3.29Å |
| 410 | V | 70.3 | Confident | 65.6 | Low | 119 Ų | 119 | 102.8 Ų | 102.8 | 72% | 0.721 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -61 | 131.5 | 164 | 179.9 | 0 | 0 | 0 | 0 | 107.9 | ||
| 411 | L | 79.8 | Confident | 68.2 | Low | 7 Ų | 7 | 99.5 Ų | 99.5 | 4% | 0.037 | 55% | 0.552 | C | S | . | * | P | Polyproline II helix | trans | -68.9 | 147.2 | 178 | -71.9 | 179.8 | 0 | 0 | 0 | 111 | G409 L415 E426 R430 L445 F448 Q449 | G409-L411 PolarHBondContact O-N 3.34Å; L411-L415 HydrophobicContact CD1-CD1 4.46Å; L411-L415 HydrophobicContact CD1-CD2 4.24Å; L411-L415 HydrophobicContact CD2-CD2 4.39Å; L411-E426 HydrophobicContact CD2-CG 3.36Å; L411-R430 VanDerWaalsContact CD2-NH2 3.28Å; L411-L445 HydrophobicContact CD1-CB 3.93Å; L411-L445 HydrophobicContact CD1-CD2 4.17Å; L411-L445 WeakPolarHBondContact CD1-O 3.3Å; L411-L445 HydrophobicContact CD2-CD2 4.45Å; L411-F448 HydrophobicContact CD1-CB 3.71Å; L411-F448 HydrophobicContact CG-CB 4.44Å; L411-Q449 HydrophobicContact CD1-CB 4.38Å |
| 412 | P | 76.4 | Confident | 70.8 | Confident | 62 Ų | 62 | 97.3 Ų | 97.3 | 40% | 0.403 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 144.9 | 169.1 | 27.8 | -34 | 0 | 0 | 0 | 110.4 | N414 M418 Q449 | P412-N414 PolarHBondContact O-N 3Å; P412-M418 HydrophobicContact CG-CG 4.11Å; P412-M418 HydrophobicContact CG-SD 3.53Å; P412-M418 VanDerWaalsContact CG-SD 3.53Å; P412-Q449 PolarHBondContact O-NE2 2.69Å |
| 413 | A | 72.5 | Confident | 73.5 | Confident | 99 Ų | 99 | 88.9 Ų | 88.9 | 82% | 0.818 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -64 | -8.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q449 | A413-Q449 PolarHBondContact O-NE2 3.32Š|
| 414 | N | 81.3 | Confident | 75.8 | Confident | 61 Ų | 61 | 86 Ų | 86 | 33% | 0.326 | 48% | 0.475 | S | S | . | . | trans | -122.8 | 97 | 175.2 | -165.3 | -32.2 | 0 | 0 | 0 | 110.8 | P412 D416 E417 | P412-N414 PolarHBondContact O-N 3Å; N414-D416 PolarHBondContact OD1-N 3.17Å; N414-E417 VanDerWaalsContact CG-CD 3.49Å; N414-E417 PolarHBondContact ND2-OE1 2.86Å; N414-E417 PolarHBondContact OD1-N 3.17Å | ||
| 415 | L | 87.4 | Confident | 78.2 | Confident | 2 Ų | 2 | 86.6 Ų | 86.6 | 1% | 0.01 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -21.3 | 174.2 | -69.8 | 168.5 | 0 | 0 | 0 | 112 | L411 E417 M418 L423 I442 L445 K446 Q449 | L411-L415 HydrophobicContact CD1-CD1 4.46Å; L411-L415 HydrophobicContact CD1-CD2 4.24Å; L411-L415 HydrophobicContact CD2-CD2 4.39Å; L415-E417 VanDerWaalsContact C-N 3.29Å; L415-E417 PolarHBondContact O-N 2.93Å; L415-M418 HydrophobicContact CD2-SD 3.67Å; L415-M418 PolarHBondContact O-N 2.89Å; L415-L423 HydrophobicContact CB-CD2 4.47Å; L415-L423 HydrophobicContact CD2-CD2 4.18Å; L415-I442 HydrophobicContact CB-CB 4.4Å; L415-I442 HydrophobicContact CB-CG1 4.09Å; L415-I442 HydrophobicContact CB-CG2 3.72Å; L415-I442 HydrophobicContact CD1-CG2 4.22Å; L415-I442 WeakPolarHBondContact O-CD1 3.37Å; L415-L445 HydrophobicContact CD1-CB 3.79Å; L415-L445 HydrophobicContact CD2-CB 4.1Å; L415-L445 HydrophobicContact CD2-CD1 4.14Å; L415-K446 HydrophobicContact CD1-CG 4.33Å; L415-Q449 HydrophobicContact CD1-CB 4.34Å; L415-Q449 HydrophobicContact CD1-CG 4.45Å |
| 416 | D | 88.3 | Confident | 80.6 | Confident | 105 Ų | 105 | 80.6 Ų | 80.6 | 56% | 0.561 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -20.9 | 178.3 | -74.6 | -68.9 | 0 | 0 | 0 | 113.3 | N414 K438 I442 | N414-D416 PolarHBondContact OD1-N 3.17Å; D416-K438 PolarHBondContact O-NZ 3.46Å; D416-I442 HydrophobicContact CB-CD1 4.48Å; D416-I442 WeakPolarHBondContact OD1-CD1 3.49Å |
| 417 | E | 87.1 | Confident | 82.8 | Confident | 152 Ų | 152 | 71 Ų | 71 | 71% | 0.71 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -33.1 | 172.5 | -78.9 | 168.2 | -161.8 | 0 | 0 | 113.3 | N414 L415 | N414-E417 VanDerWaalsContact CG-CD 3.49Å; N414-E417 PolarHBondContact ND2-OE1 2.86Å; N414-E417 PolarHBondContact OD1-N 3.17Å; L415-E417 VanDerWaalsContact C-N 3.29Å; L415-E417 PolarHBondContact O-N 2.93Å |
| 418 | M | 86.8 | Confident | 84.9 | Confident | 27 Ų | 27 | 68.7 Ų | 68.7 | 13% | 0.133 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -55.5 | 142.8 | 179.5 | -70.3 | -176.7 | 69 | 0 | 0 | 112.2 | P412 L415 E422 L423 E426 K438 | P412-M418 HydrophobicContact CG-CG 4.11Å; P412-M418 HydrophobicContact CG-SD 3.53Å; P412-M418 VanDerWaalsContact CG-SD 3.53Å; L415-M418 HydrophobicContact CD2-SD 3.67Å; L415-M418 PolarHBondContact O-N 2.89Å; M418-E422 HydrophobicContact CB-CB 4.49Å; M418-E422 HydrophobicContact CE-CB 3.71Å; M418-L423 HydrophobicContact CB-CD2 3.86Å; M418-L423 HydrophobicContact CB-CG 3.86Å; M418-L423 HydrophobicContact SD-CD2 4.18Å; M418-E426 HydrophobicContact CE-CB 4.29Å; M418-E426 HydrophobicContact CE-CG 4.38Å; M418-K438 WeakPolarHBondContact O-CE 3.18Å; M418-K438 PolarHBondContact O-NZ 3.3Å |
| 419 | K | 93 | Very high | 86.6 | Confident | 141 Ų | 141 | 68.2 Ų | 68.2 | 61% | 0.613 | 38% | 0.383 | S | S | * | . | trans | -73.4 | 153.7 | 177.7 | -64.5 | 179.8 | -177 | 167.2 | 0 | 111 | A421 E422 L423 | K419-A421 PolarHBondContact O-N 3.36Å; K419-A421 VanDerWaalsContact O-N 3.09Å; K419-E422 HydrophobicContact CB-CG 4.31Å; K419-E422 WeakPolarHBondContact CD-OE1 3.37Å; K419-E422 PolarHBondContact N-OE2 2.95Å; K419-E422 WeakPolarHBondContact O-CB 3.48Å; K419-E422 PolarHBondContact O-N 2.84Å; K419-L423 WeakPolarHBondContact O-CG 3.41Å; K419-L423 PolarHBondContact O-N 2.74Å | ||
| 420 | V | 92.3 | Very high | 87.7 | Confident | 60 Ų | 60 | 68 Ų | 68 | 36% | 0.364 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -54.5 | -31.4 | 175.8 | 170.5 | 0 | 0 | 0 | 0 | 112.6 | K424 K438 L441 | V420-K424 HydrophobicContact CG1-CD 4.26Å; V420-K424 WeakPolarHBondContact O-CB 3.3Å; V420-K424 WeakPolarHBondContact O-CG 3.25Å; V420-K424 PolarHBondContact O-N 2.85Å; V420-K424 VanDerWaalsContact O-N 3.12Å; V420-K438 HydrophobicContact CG2-CB 3.98Å; V420-K438 HydrophobicContact CG2-CD 4.33Å; V420-K438 HydrophobicContact CG2-CG 3.91Å; V420-L441 HydrophobicContact CG1-CD1 3.81Å |
| 421 | A | 92.6 | Very high | 88.6 | Confident | 77 Ų | 77 | 65.8 Ų | 65.8 | 64% | 0.636 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -70.4 | -40.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K419 K424 L425 | K419-A421 PolarHBondContact O-N 3.36Å; K419-A421 VanDerWaalsContact O-N 3.09Å; A421-K424 PolarHBondContact O-N 3.14Å; A421-L425 WeakPolarHBondContact O-CB 3.41Å; A421-L425 PolarHBondContact O-N 3.19Å |
| 422 | E | 92.6 | Very high | 89.2 | Confident | 80 Ų | 80 | 67.4 Ų | 67.4 | 37% | 0.374 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.9 | -46.7 | 177.9 | -65.8 | 148.3 | -156.9 | 0 | 0 | 110.2 | M418 K419 K424 L425 E426 | M418-E422 HydrophobicContact CB-CB 4.49Å; M418-E422 HydrophobicContact CE-CB 3.71Å; K419-E422 HydrophobicContact CB-CG 4.31Å; K419-E422 WeakPolarHBondContact CD-OE1 3.37Å; K419-E422 PolarHBondContact N-OE2 2.95Å; K419-E422 WeakPolarHBondContact O-CB 3.48Å; K419-E422 PolarHBondContact O-N 2.84Å; E422-K424 VanDerWaalsContact C-N 3.29Å; E422-K424 PolarHBondContact O-N 3.26Å; E422-L425 WeakPolarHBondContact O-CB 3.38Å; E422-L425 PolarHBondContact O-N 3.28Å; E422-E426 VanDerWaalsContact O-CB 3.28Å; E422-E426 WeakPolarHBondContact O-CB 3.36Å; E422-E426 PolarHBondContact O-N 3.37Å |
| 423 | L | 94 | Very high | 89.9 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -55.2 | -43.8 | 173.5 | -66.1 | 164.5 | 0 | 0 | 0 | 111.4 | L415 M418 K419 E426 L427 K438 L441 I442 L445 | L415-L423 HydrophobicContact CB-CD2 4.47Å; L415-L423 HydrophobicContact CD2-CD2 4.18Å; M418-L423 HydrophobicContact CB-CD2 3.86Å; M418-L423 HydrophobicContact CB-CG 3.86Å; M418-L423 HydrophobicContact SD-CD2 4.18Å; K419-L423 WeakPolarHBondContact O-CG 3.41Å; K419-L423 PolarHBondContact O-N 2.74Å; L423-E426 PolarHBondContact O-N 3.27Å; L423-L427 WeakPolarHBondContact O-CB 3.3Å; L423-L427 WeakPolarHBondContact O-CD1 3.43Å; L423-L427 WeakPolarHBondContact O-CG 3.15Å; L423-L427 PolarHBondContact O-N 3.49Å; L423-K438 HydrophobicContact CD1-CD 4.43Å; L423-K438 HydrophobicContact CD1-CG 3.76Å; L423-L441 HydrophobicContact CB-CB 4.08Å; L423-L441 HydrophobicContact CD1-CB 4.42Å; L423-I442 HydrophobicContact CD1-CD1 4.22Å; L423-I442 HydrophobicContact CD1-CG1 3.75Å; L423-I442 HydrophobicContact CD2-CG1 3.79Å; L423-I442 HydrophobicContact CG-CG1 4.45Å; L423-L445 HydrophobicContact CB-CD1 4.33Å; L423-L445 HydrophobicContact CD2-CD1 3.59Å |
| 424 | K | 94.3 | Very high | 90.9 | Very high | 79 Ų | 79 | 66.1 Ų | 66.1 | 34% | 0.343 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.2 | -33.6 | 175.4 | -75 | -179.8 | -175.7 | -167.2 | 0 | 113.7 | V420 A421 E422 K428 V434 L441 | V420-K424 HydrophobicContact CG1-CD 4.26Å; V420-K424 WeakPolarHBondContact O-CB 3.3Å; V420-K424 WeakPolarHBondContact O-CG 3.25Å; V420-K424 PolarHBondContact O-N 2.85Å; V420-K424 VanDerWaalsContact O-N 3.12Å; A421-K424 PolarHBondContact O-N 3.14Å; E422-K424 VanDerWaalsContact C-N 3.29Å; E422-K424 PolarHBondContact O-N 3.26Å; K424-K428 VanDerWaalsContact O-CB 3.3Å; K424-K428 WeakPolarHBondContact O-CB 3.44Å; K424-K428 PolarHBondContact O-N 2.85Å; K424-K428 VanDerWaalsContact O-N 3.11Å; K424-V434 HydrophobicContact CB-CB 4.31Å; K424-V434 WeakPolarHBondContact CD-O 3.49Å; K424-V434 WeakPolarHBondContact CE-O 3.39Å; K424-V434 HydrophobicContact CG-CB 4.16Å; K424-V434 WeakPolarHBondContact O-CG1 3.47Å; K424-L441 HydrophobicContact CD-CD1 4.45Å; K424-L441 HydrophobicContact CG-CD1 4.03Å; K424-L441 HydrophobicContact CG-CD2 3.68Å |
| 425 | L | 93.8 | Very high | 91.3 | Very high | 83 Ų | 83 | 67.2 Ų | 67.2 | 44% | 0.435 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.5 | -45.1 | 172.5 | 177.2 | 62.2 | 0 | 0 | 0 | 110.6 | A421 E422 K428 L429 | A421-L425 WeakPolarHBondContact O-CB 3.41Å; A421-L425 PolarHBondContact O-N 3.19Å; E422-L425 WeakPolarHBondContact O-CB 3.38Å; E422-L425 PolarHBondContact O-N 3.28Å; L425-K428 WeakPolarHBondContact O-CB 3.38Å; L425-K428 PolarHBondContact O-N 2.95Å; L425-K428 VanDerWaalsContact O-N 3.16Å; L425-L429 HydrophobicContact CG-CD1 4.31Å; L425-L429 WeakPolarHBondContact O-CG 3.39Å; L425-L429 PolarHBondContact O-N 3.41Å |
| 426 | E | 92 | Very high | 91.4 | Very high | 32 Ų | 32 | 68.9 Ų | 68.9 | 15% | 0.15 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -73.1 | -33.9 | -173.6 | -157.6 | 57.3 | -153.1 | 0 | 0 | 112.4 | L411 M418 E422 L423 R430 L445 | L411-E426 HydrophobicContact CD2-CG 3.36Å; M418-E426 HydrophobicContact CE-CB 4.29Å; M418-E426 HydrophobicContact CE-CG 4.38Å; E422-E426 VanDerWaalsContact O-CB 3.28Å; E422-E426 WeakPolarHBondContact O-CB 3.36Å; E422-E426 PolarHBondContact O-N 3.37Å; L423-E426 PolarHBondContact O-N 3.27Å; E426-R430 VanDerWaalsContact CG-NH1 3.3Å; E426-R430 PolarHBondContact O-N 3.48Å; E426-R430 PolarHBondContact O-NH1 2.93Å; E426-R430 IonicContact OE1-CZ 3.18Å; E426-R430 IonicContact OE1-NH1 3.64Å; E426-R430 PolarHBondContact OE1-NH1 3.02Å; E426-R430 IonicContact OE1-NH2 2.75Å; E426-R430 PolarHBondContact OE1-NH2 3.44Å; E426-L445 HydrophobicContact CB-CD1 4.23Å; E426-L445 HydrophobicContact CB-CD2 4.46Å; E426-L445 HydrophobicContact CG-CD1 4.49Å; E426-L445 HydrophobicContact CG-CD2 4.33Å |
| 427 | L | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 164.9 | -74 | 162.5 | 0 | 0 | 0 | 111.5 | L423 L429 R430 G431 L432 V434 L441 R444 L445 | L423-L427 WeakPolarHBondContact O-CB 3.3Å; L423-L427 WeakPolarHBondContact O-CD1 3.43Å; L423-L427 WeakPolarHBondContact O-CG 3.15Å; L423-L427 PolarHBondContact O-N 3.49Å; L427-L429 VanDerWaalsContact C-N 3.29Å; L427-L429 PolarHBondContact O-N 2.9Å; L427-R430 CarbonylContact O-C 3.6Å; L427-R430 WeakPolarHBondContact O-CA 3.43Å; L427-R430 PolarHBondContact O-N 3.19Å; L427-G431 PolarHBondContact O-N 3.45Å; L427-L432 HydrophobicContact CB-CB 4.12Å; L427-L432 HydrophobicContact CD2-CB 3.52Å; L427-L432 HydrophobicContact CD2-CD1 3.74Å; L427-L432 HydrophobicContact CD2-CG 4.29Å; L427-L432 HydrophobicContact CG-CB 4.44Å; L427-L432 PolarHBondContact O-N 3.41Å; L427-V434 HydrophobicContact CB-CG1 3.98Å; L427-L441 HydrophobicContact CD1-CB 3.92Å; L427-L441 HydrophobicContact CD1-CD2 3.31Å; L427-L441 HydrophobicContact CD1-CG 4.21Å; L427-R444 HydrophobicContact CD2-CB 3.63Å; L427-L445 HydrophobicContact CD2-CD1 4.48Å; L427-L445 HydrophobicContact CD2-CD2 3.85Å; L427-L445 HydrophobicContact CD2-CG 3.73Å; L427-L445 HydrophobicContact CG-CD1 4.08Å; L427-L445 HydrophobicContact CG-CD2 3.99Å; L427-L445 HydrophobicContact CG-CG 3.85Å |
| 428 | K | 94.7 | Very high | 92 | Very high | 147 Ų | 147 | 64.5 Ų | 64.5 | 64% | 0.639 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.9 | -34.5 | 179.2 | -165.6 | 173.5 | 66.3 | 177.2 | 0 | 112.4 | K424 L425 R430 G431 V434 | K424-K428 VanDerWaalsContact O-CB 3.3Å; K424-K428 WeakPolarHBondContact O-CB 3.44Å; K424-K428 PolarHBondContact O-N 2.85Å; K424-K428 VanDerWaalsContact O-N 3.11Å; L425-K428 WeakPolarHBondContact O-CB 3.38Å; L425-K428 PolarHBondContact O-N 2.95Å; L425-K428 VanDerWaalsContact O-N 3.16Å; K428-R430 VanDerWaalsContact C-N 3.27Å; K428-R430 PolarHBondContact O-N 2.86Å; K428-G431 PolarHBondContact O-N 2.87Å; K428-V434 HydrophobicContact CB-CG1 4.01Å |
| 429 | L | 91.1 | Very high | 92.3 | Very high | 52 Ų | 52 | 67.7 Ų | 67.7 | 27% | 0.272 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.9 | -23 | 172.8 | -73.3 | 171.5 | 0 | 0 | 0 | 113.3 | L425 L427 | L425-L429 HydrophobicContact CG-CD1 4.31Å; L425-L429 WeakPolarHBondContact O-CG 3.39Å; L425-L429 PolarHBondContact O-N 3.41Å; L427-L429 VanDerWaalsContact C-N 3.29Å; L427-L429 PolarHBondContact O-N 2.9Å |
| 430 | R | 88.1 | Confident | 92.4 | Very high | 43 Ų | 43 | 63.3 Ų | 63.3 | 16% | 0.162 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 2 | 173.1 | -77.8 | 165.1 | -166.5 | 67.9 | -0.7 | 113.9 | P408 G409 L411 E426 L427 K428 L432 | P408-R430 HydrophobicContact CB-CG 4.25Å; P408-R430 HydrophobicContact CG-CG 4.18Å; G409-R430 PolarHBondContact O-NH2 3.29Å; L411-R430 VanDerWaalsContact CD2-NH2 3.28Å; E426-R430 VanDerWaalsContact CG-NH1 3.3Å; E426-R430 PolarHBondContact O-N 3.48Å; E426-R430 PolarHBondContact O-NH1 2.93Å; E426-R430 IonicContact OE1-CZ 3.18Å; E426-R430 IonicContact OE1-NH1 3.64Å; E426-R430 PolarHBondContact OE1-NH1 3.02Å; E426-R430 IonicContact OE1-NH2 2.75Å; E426-R430 PolarHBondContact OE1-NH2 3.44Å; L427-R430 CarbonylContact O-C 3.6Å; L427-R430 WeakPolarHBondContact O-CA 3.43Å; L427-R430 PolarHBondContact O-N 3.19Å; K428-R430 VanDerWaalsContact C-N 3.27Å; K428-R430 PolarHBondContact O-N 2.86Å; R430-L432 HydrophobicContact CB-CD1 3.62Å; R430-L432 HydrophobicContact CB-CG 3.86Å; R430-L432 HydrophobicContact CG-CD1 4.5Å; R430-L432 PolarHBondContact O-N 3.46Å |
| 431 | G | 89.4 | Confident | 92.6 | Very high | 72 Ų | 72 | 60.5 Ų | 60.5 | 74% | 0.742 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 14.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L427 K428 | L427-G431 PolarHBondContact O-N 3.45Å; K428-G431 PolarHBondContact O-N 2.87Å |
| 432 | L | 91.8 | Very high | 92.6 | Very high | 42 Ų | 42 | 57.1 Ų | 57.1 | 22% | 0.22 | 33% | 0.329 | C | S | . | . | trans | -86.1 | 151.6 | -177.3 | -63 | 166.1 | 0 | 0 | 0 | 111.3 | L427 R430 V434 R444 L445 F448 | L427-L432 HydrophobicContact CB-CB 4.12Å; L427-L432 HydrophobicContact CD2-CB 3.52Å; L427-L432 HydrophobicContact CD2-CD1 3.74Å; L427-L432 HydrophobicContact CD2-CG 4.29Å; L427-L432 HydrophobicContact CG-CB 4.44Å; L427-L432 PolarHBondContact O-N 3.41Å; R430-L432 HydrophobicContact CB-CD1 3.62Å; R430-L432 HydrophobicContact CB-CG 3.86Å; R430-L432 HydrophobicContact CG-CD1 4.5Å; R430-L432 PolarHBondContact O-N 3.46Å; L432-V434 PolarHBondContact O-N 2.93Å; L432-R444 WeakPolarHBondContact CD1-O 3.26Å; L432-L445 HydrophobicContact CD1-CD2 4.47Å; L432-F448 HydrophobicContact CD1-CD2 4.14Å; L432-F448 HydrophobicContact CD1-CE2 3.58Å; L432-F448 HydrophobicContact CD1-CZ 4.17Å; L432-F448 HydrophobicContact CD2-CE2 4.42Å | ||
| 433 | P | 91.5 | Very high | 92.6 | Very high | 72 Ų | 72 | 59.6 Ų | 59.6 | 47% | 0.468 | 34% | 0.34 | S | S | . | . | trans | -64.2 | 134.7 | -178.9 | 24.2 | -32.3 | 0 | 0 | 0 | 112.3 | R444 | P433-R444 PolarHBondContact O-NH1 3.49Š| ||
| 434 | V | 92.2 | Very high | 92.6 | Very high | 61 Ų | 61 | 61.9 Ų | 61.9 | 37% | 0.37 | 35% | 0.349 | S | S | . | . | trans | -101.7 | 14.5 | -172 | -60.1 | 0 | 0 | 0 | 0 | 114.1 | K424 L427 K428 L432 | K424-V434 HydrophobicContact CB-CB 4.31Å; K424-V434 WeakPolarHBondContact CD-O 3.49Å; K424-V434 WeakPolarHBondContact CE-O 3.39Å; K424-V434 HydrophobicContact CG-CB 4.16Å; K424-V434 WeakPolarHBondContact O-CG1 3.47Å; L427-V434 HydrophobicContact CB-CG1 3.98Å; K428-V434 HydrophobicContact CB-CG1 4.01Å; L432-V434 PolarHBondContact O-N 2.93Å | ||
| 435 | S | 89.4 | Confident | 92.4 | Very high | 84 Ų | 84 | 58.1 Ų | 58.1 | 59% | 0.587 | 33% | 0.332 | S | S | * | . | trans | -106.3 | 119.3 | -178.2 | 52 | 0 | 0 | 0 | 0 | 110.2 | D440 R444 | S435-D440 VanDerWaalsContact O-OD2 3.06Å; S435-R444 PolarHBondContact O-NH1 3.35Å; S435-R444 PolarHBondContact O-NH2 3.5Å; S435-R444 VanDerWaalsContact O-NH2 3.1Å | ||
| 436 | G | 91.3 | Very high | 92.2 | Very high | 37 Ų | 37 | 59.9 Ų | 59.9 | 38% | 0.381 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 171.1 | 171.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D440 | G436-D440 WeakPolarHBondContact CA-OD2 3.27Š|
| 437 | T | 93.4 | Very high | 91.8 | Very high | 91 Ų | 91 | 62.1 Ų | 62.1 | 56% | 0.558 | 35% | 0.354 | S | S | * | . | trans | -70.6 | 170.5 | 158 | 54.3 | 0 | 0 | 0 | 0 | 110.3 | T439 D440 L441 | T437-T439 PolarHBondContact O-N 3.44Å; T437-T439 PolarHBondContact OG1-OG1 2.85Å; T437-D440 PolarHBondContact O-N 2.87Å; T437-D440 PolarHBondContact OG1-N 3.46Å; T437-L441 WeakPolarHBondContact O-CD1 3.39Å; T437-L441 WeakPolarHBondContact O-CG 3.18Å; T437-L441 PolarHBondContact O-N 2.88Å | ||
| 438 | K | 94.4 | Very high | 91 | Very high | 75 Ų | 75 | 66.5 Ų | 66.5 | 33% | 0.326 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.1 | -41.3 | 175.6 | -166.1 | -178 | -175.7 | 177.8 | 0 | 111.9 | D416 M418 V420 L423 L441 I442 | D416-K438 PolarHBondContact O-NZ 3.46Å; M418-K438 WeakPolarHBondContact O-CE 3.18Å; M418-K438 PolarHBondContact O-NZ 3.3Å; V420-K438 HydrophobicContact CG2-CB 3.98Å; V420-K438 HydrophobicContact CG2-CD 4.33Å; V420-K438 HydrophobicContact CG2-CG 3.91Å; L423-K438 HydrophobicContact CD1-CD 4.43Å; L423-K438 HydrophobicContact CD1-CG 3.76Å; K438-L441 PolarHBondContact O-N 2.93Å; K438-I442 HydrophobicContact CD-CD1 4.34Å; K438-I442 HydrophobicContact CG-CD1 3.92Å; K438-I442 VanDerWaalsContact O-CG1 3.3Å; K438-I442 WeakPolarHBondContact O-CG1 3.45Å; K438-I442 PolarHBondContact O-N 2.98Å |
| 439 | T | 93.3 | Very high | 90.1 | Very high | 93 Ų | 93 | 61.6 Ų | 61.6 | 57% | 0.571 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.6 | -50.9 | 179.2 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | T437 L441 I442 E443 | T437-T439 PolarHBondContact O-N 3.44Å; T437-T439 PolarHBondContact OG1-OG1 2.85Å; T439-L441 VanDerWaalsContact C-N 3.26Å; T439-L441 PolarHBondContact O-N 3.22Å; T439-I442 CarbonylContact O-C 3.59Å; T439-I442 WeakPolarHBondContact O-CA 3.37Å; T439-I442 WeakPolarHBondContact O-CB 3.45Å; T439-I442 PolarHBondContact O-N 3.34Å; T439-E443 WeakPolarHBondContact O-CB 3.38Å; T439-E443 PolarHBondContact O-N 3.28Å |
| 440 | D | 94.7 | Very high | 88.4 | Confident | 50 Ų | 50 | 66.9 Ų | 66.9 | 27% | 0.267 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.2 | -28.9 | 177.3 | 166.2 | 41.8 | 0 | 0 | 0 | 112.2 | S435 G436 T437 R444 | S435-D440 VanDerWaalsContact O-OD2 3.06Å; G436-D440 WeakPolarHBondContact CA-OD2 3.27Å; T437-D440 PolarHBondContact O-N 2.87Å; T437-D440 PolarHBondContact OG1-N 3.46Å; D440-R444 VanDerWaalsContact C-NH2 3.27Å; D440-R444 VanDerWaalsContact O-CZ 3.31Å; D440-R444 PolarHBondContact O-N 2.84Å; D440-R444 PolarHBondContact O-NE 3.25Å; D440-R444 PolarHBondContact O-NH2 3.25Å; D440-R444 VanDerWaalsContact O-NH2 3.07Å; D440-R444 IonicContact OD1-CZ 2.81Å; D440-R444 IonicContact OD1-NE 3.24Å; D440-R444 PolarHBondContact OD1-NE 2.86Å; D440-R444 IonicContact OD1-NH1 3.12Å; D440-R444 PolarHBondContact OD1-NH1 3.03Å; D440-R444 IonicContact OD1-NH2 2.98Å; D440-R444 PolarHBondContact OD1-NH2 3.25Å; D440-R444 VanDerWaalsContact OD1-NH2 3.12Å; D440-R444 IonicContact OD2-CZ 2.7Å; D440-R444 IonicContact OD2-NH1 2.71Å; D440-R444 PolarHBondContact OD2-NH1 3.11Å; D440-R444 IonicContact OD2-NH2 3.21Å; D440-R444 PolarHBondContact OD2-NH2 2.79Å |
| 441 | L | 95.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -71.1 | -33.6 | 171.6 | -63.1 | 162.3 | 0 | 0 | 0 | 112.4 | V420 L423 K424 L427 T437 K438 T439 | V420-L441 HydrophobicContact CG1-CD1 3.81Å; L423-L441 HydrophobicContact CB-CB 4.08Å; L423-L441 HydrophobicContact CD1-CB 4.42Å; K424-L441 HydrophobicContact CD-CD1 4.45Å; K424-L441 HydrophobicContact CG-CD1 4.03Å; K424-L441 HydrophobicContact CG-CD2 3.68Å; L427-L441 HydrophobicContact CD1-CB 3.92Å; L427-L441 HydrophobicContact CD1-CD2 3.31Å; L427-L441 HydrophobicContact CD1-CG 4.21Å; T437-L441 WeakPolarHBondContact O-CD1 3.39Å; T437-L441 WeakPolarHBondContact O-CG 3.18Å; T437-L441 PolarHBondContact O-N 2.88Å; K438-L441 PolarHBondContact O-N 2.93Å; T439-L441 VanDerWaalsContact C-N 3.26Å; T439-L441 PolarHBondContact O-N 3.22Å |
| 442 | I | 93.3 | Very high | 84.9 | Confident | 7 Ų | 7 | 72.2 Ų | 72.2 | 4% | 0.036 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -76.8 | -42.5 | 176.1 | -69.9 | 166.7 | 0 | 0 | 0 | 111.4 | L415 D416 L423 K438 T439 R444 L445 K446 | L415-I442 HydrophobicContact CB-CB 4.4Å; L415-I442 HydrophobicContact CB-CG1 4.09Å; L415-I442 HydrophobicContact CB-CG2 3.72Å; L415-I442 HydrophobicContact CD1-CG2 4.22Å; L415-I442 WeakPolarHBondContact O-CD1 3.37Å; D416-I442 HydrophobicContact CB-CD1 4.48Å; D416-I442 WeakPolarHBondContact OD1-CD1 3.49Å; L423-I442 HydrophobicContact CD1-CD1 4.22Å; L423-I442 HydrophobicContact CD1-CG1 3.75Å; L423-I442 HydrophobicContact CD2-CG1 3.79Å; L423-I442 HydrophobicContact CG-CG1 4.45Å; K438-I442 HydrophobicContact CD-CD1 4.34Å; K438-I442 HydrophobicContact CG-CD1 3.92Å; K438-I442 VanDerWaalsContact O-CG1 3.3Å; K438-I442 WeakPolarHBondContact O-CG1 3.45Å; K438-I442 PolarHBondContact O-N 2.98Å; T439-I442 CarbonylContact O-C 3.59Å; T439-I442 WeakPolarHBondContact O-CA 3.37Å; T439-I442 WeakPolarHBondContact O-CB 3.45Å; T439-I442 PolarHBondContact O-N 3.34Å; I442-R444 VanDerWaalsContact C-N 3.3Å; I442-R444 PolarHBondContact O-N 3.24Å; I442-L445 CarbonylContact O-C 3.6Å; I442-L445 WeakPolarHBondContact O-CA 3.42Å; I442-L445 PolarHBondContact O-N 2.97Å; I442-K446 PolarHBondContact O-N 3.22Å |
| 443 | E | 92.9 | Very high | 82.6 | Confident | 132 Ų | 132 | 74.9 Ų | 74.9 | 62% | 0.617 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.4 | -40 | -178 | -173.6 | 170 | -172.2 | 0 | 0 | 111.8 | T439 L445 P447 | T439-E443 WeakPolarHBondContact O-CB 3.38Å; T439-E443 PolarHBondContact O-N 3.28Å; E443-L445 VanDerWaalsContact C-N 3.28Å; E443-L445 PolarHBondContact O-N 2.98Å; E443-P447 VanDerWaalsContact O-CD 3.26Å; E443-P447 WeakPolarHBondContact O-CD 3.25Å |
| 444 | R | 93.8 | Very high | 79.9 | Confident | 47 Ų | 47 | 79.6 Ų | 79.6 | 18% | 0.177 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -15.5 | 172.6 | -71.9 | 174.3 | -66.4 | -150.8 | -2.2 | 114.4 | L427 L432 P433 S435 D440 I442 | L427-R444 HydrophobicContact CD2-CB 3.63Å; L432-R444 WeakPolarHBondContact CD1-O 3.26Å; P433-R444 PolarHBondContact O-NH1 3.49Å; S435-R444 PolarHBondContact O-NH1 3.35Å; S435-R444 PolarHBondContact O-NH2 3.5Å; S435-R444 VanDerWaalsContact O-NH2 3.1Å; D440-R444 VanDerWaalsContact C-NH2 3.27Å; D440-R444 VanDerWaalsContact O-CZ 3.31Å; D440-R444 PolarHBondContact O-N 2.84Å; D440-R444 PolarHBondContact O-NE 3.25Å; D440-R444 PolarHBondContact O-NH2 3.25Å; D440-R444 VanDerWaalsContact O-NH2 3.07Å; D440-R444 IonicContact OD1-CZ 2.81Å; D440-R444 IonicContact OD1-NE 3.24Å; D440-R444 PolarHBondContact OD1-NE 2.86Å; D440-R444 IonicContact OD1-NH1 3.12Å; D440-R444 PolarHBondContact OD1-NH1 3.03Å; D440-R444 IonicContact OD1-NH2 2.98Å; D440-R444 PolarHBondContact OD1-NH2 3.25Å; D440-R444 VanDerWaalsContact OD1-NH2 3.12Å; D440-R444 IonicContact OD2-CZ 2.7Å; D440-R444 IonicContact OD2-NH1 2.71Å; D440-R444 PolarHBondContact OD2-NH1 3.11Å; D440-R444 IonicContact OD2-NH2 3.21Å; D440-R444 PolarHBondContact OD2-NH2 2.79Å; I442-R444 VanDerWaalsContact C-N 3.3Å; I442-R444 PolarHBondContact O-N 3.24Å |
| 445 | L | 91.2 | Very high | 77.5 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -25.6 | 175.2 | -74.2 | 173.9 | 0 | 0 | 0 | 113.1 | L411 L415 L423 E426 L427 L432 I442 E443 P447 F448 | L411-L445 HydrophobicContact CD1-CB 3.93Å; L411-L445 HydrophobicContact CD1-CD2 4.17Å; L411-L445 WeakPolarHBondContact CD1-O 3.3Å; L411-L445 HydrophobicContact CD2-CD2 4.45Å; L415-L445 HydrophobicContact CD1-CB 3.79Å; L415-L445 HydrophobicContact CD2-CB 4.1Å; L415-L445 HydrophobicContact CD2-CD1 4.14Å; L423-L445 HydrophobicContact CB-CD1 4.33Å; L423-L445 HydrophobicContact CD2-CD1 3.59Å; E426-L445 HydrophobicContact CB-CD1 4.23Å; E426-L445 HydrophobicContact CB-CD2 4.46Å; E426-L445 HydrophobicContact CG-CD1 4.49Å; E426-L445 HydrophobicContact CG-CD2 4.33Å; L427-L445 HydrophobicContact CD2-CD1 4.48Å; L427-L445 HydrophobicContact CD2-CD2 3.85Å; L427-L445 HydrophobicContact CD2-CG 3.73Å; L427-L445 HydrophobicContact CG-CD1 4.08Å; L427-L445 HydrophobicContact CG-CD2 3.99Å; L427-L445 HydrophobicContact CG-CG 3.85Å; L432-L445 HydrophobicContact CD1-CD2 4.47Å; I442-L445 CarbonylContact O-C 3.6Å; I442-L445 WeakPolarHBondContact O-CA 3.42Å; I442-L445 PolarHBondContact O-N 2.97Å; E443-L445 VanDerWaalsContact C-N 3.28Å; E443-L445 PolarHBondContact O-N 2.98Å; L445-P447 VanDerWaalsContact C-CD 3.48Å; L445-F448 PolarHBondContact O-N 3.45Å |
| 446 | K | 88.6 | Confident | 74.7 | Confident | 120 Ų | 120 | 83.4 Ų | 83.4 | 52% | 0.522 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -49.1 | -43 | 176.4 | -87.4 | -169.2 | 171.2 | -172.5 | 0 | 114.8 | L415 I442 F448 Q449 | L415-K446 HydrophobicContact CD1-CG 4.33Å; I442-K446 PolarHBondContact O-N 3.22Å; K446-F448 PolarHBondContact O-N 3.22Å; K446-Q449 VanDerWaalsContact O-CB 3.3Å; K446-Q449 WeakPolarHBondContact O-CB 3.43Å; K446-Q449 PolarHBondContact O-N 2.82Å |
| 447 | P | 83.4 | Confident | 72.4 | Confident | 80 Ų | 80 | 87.6 Ų | 87.6 | 52% | 0.519 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -60.6 | -11.5 | 176.8 | -26.3 | 35.7 | 0 | 0 | 0 | 115.3 | E443 L445 | E443-P447 VanDerWaalsContact O-CD 3.26Å; E443-P447 WeakPolarHBondContact O-CD 3.25Å; L445-P447 VanDerWaalsContact C-CD 3.48Å |
| 448 | F | 77.8 | Confident | 70.3 | Confident | 91 Ų | 91 | 89.8 Ų | 89.8 | 40% | 0.399 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -110 | 9.3 | 177.6 | -56.6 | -92.4 | 0 | 0 | 0 | 112.4 | L411 L432 L445 K446 | L411-F448 HydrophobicContact CD1-CB 3.71Å; L411-F448 HydrophobicContact CG-CB 4.44Å; L432-F448 HydrophobicContact CD1-CD2 4.14Å; L432-F448 HydrophobicContact CD1-CE2 3.58Å; L432-F448 HydrophobicContact CD1-CZ 4.17Å; L432-F448 HydrophobicContact CD2-CE2 4.42Å; L445-F448 PolarHBondContact O-N 3.45Å; K446-F448 PolarHBondContact O-N 3.22Å |
| 449 | Q | 76.1 | Confident | 67.3 | Low | 45 Ų | 45 | 89.9 Ų | 89.9 | 21% | 0.21 | 53% | 0.53 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -33.8 | 180 | -169 | -175.7 | 46 | 0 | 0 | 111.8 | L411 P412 A413 L415 K446 N451 | L411-Q449 HydrophobicContact CD1-CB 4.38Å; P412-Q449 PolarHBondContact O-NE2 2.69Å; A413-Q449 PolarHBondContact O-NE2 3.32Å; L415-Q449 HydrophobicContact CD1-CB 4.34Å; L415-Q449 HydrophobicContact CD1-CG 4.45Å; K446-Q449 VanDerWaalsContact O-CB 3.3Å; K446-Q449 WeakPolarHBondContact O-CB 3.43Å; K446-Q449 PolarHBondContact O-N 2.82Å; Q449-N451 VanDerWaalsContact C-N 3.27Å; Q449-N451 PolarHBondContact O-N 3.17Å |
| 450 | E | 53.9 | Low | 64.6 | Low | 163 Ų | 163 | 92.3 Ų | 92.3 | 76% | 0.762 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -67.4 | -21.8 | -171.2 | -161 | 168.8 | -173.8 | 0 | 0 | 114 | S452 | E450-S452 PolarHBondContact O-N 2.99Š|
| 451 | N | 54.6 | Low | 62.5 | Low | 147 Ų | 147 | 95.1 Ų | 95.1 | 79% | 0.786 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -69.4 | 8.4 | 179.1 | -61.9 | 88.2 | 0 | 0 | 0 | 115.6 | Q449 | Q449-N451 VanDerWaalsContact C-N 3.27Å; Q449-N451 PolarHBondContact O-N 3.17Å |
| 452 | S | 51.2 | Low | 59.3 | Low | 80 Ų | 80 | 100.9 Ų | 100.9 | 56% | 0.559 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -112.3 | 5.5 | -167.9 | -165.3 | 0 | 0 | 0 | 0 | 116 | E450 | E450-S452 PolarHBondContact O-N 2.99Š|
| 453 | S | 41.5 | Very low | 56 | Low | 97 Ų | 97 | 105.6 Ų | 105.6 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | trans | -126.3 | 80.6 | -172.5 | 58.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 454 | L | 36.1 | Very low | 52.8 | Low | 172 Ų | 172 | 105.6 Ų | 105.6 | 90% | 0.901 | 64% | 0.642 | S | S | * | * | trans | -137.5 | 115.8 | 160.5 | -77.5 | 176.5 | 0 | 0 | 0 | 110.1 | ||||
| 455 | P | 40.5 | Very low | 49.7 | Very low | 131 Ų | 131 | 107.8 Ų | 107.8 | 85% | 0.851 | 67% | 0.67 | S | S | * | * | trans | -86.3 | 142 | 172.5 | 33.5 | -31.9 | 0 | 0 | 0 | 111.5 | ||||
| 456 | A | 31.8 | Very low | 46.6 | Very low | 94 Ų | 94 | 112.1 Ų | 112.1 | 78% | 0.777 | 71% | 0.706 | S | S | * | * | trans | -123.6 | 146.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 457 | P | 42 | Very low | 43.7 | Very low | 124 Ų | 124 | 111.4 Ų | 111.4 | 81% | 0.805 | 72% | 0.716 | S | S | * | * | trans | -78.3 | 163.2 | -177.5 | 32.4 | -35.9 | 0 | 0 | 0 | 113.4 | ||||
| 458 | P | 51.1 | Low | 41.1 | Very low | 138 Ų | 138 | 111.8 Ų | 111.8 | 90% | 0.896 | 72% | 0.721 | S | S | * | * | trans | -89.8 | 146.8 | -166.9 | 34.6 | -36 | 0 | 0 | 0 | 115.2 | ||||
| 459 | G | 31.1 | Very low | 39.4 | Very low | 77 Ų | 77 | 114.9 Ų | 114.9 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | trans | -172.5 | 134.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 460 | V | 36.1 | Very low | 37.7 | Very low | 143 Ų | 143 | 116.2 Ų | 116.2 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | trans | -114.8 | 167.9 | -177.2 | -72.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 461 | P | 51 | Low | 36.5 | Very low | 110 Ų | 110 | 114.2 Ų | 114.2 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | cis | -131.9 | -169.4 | -23.7 | 25.8 | -3.1 | 0 | 0 | 0 | 112.9 | ||||
| 462 | T | 26.4 | Very low | 35.4 | Very low | 120 Ų | 120 | 113.4 Ų | 113.4 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | trans | 122.7 | 128.3 | 135.2 | -46.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 463 | C | 24.4 | Very low | 34.3 | Very low | 106 Ų | 106 | 112.6 Ų | 112.6 | 72% | 0.716 | 73% | 0.726 | S | S | * | * | trans | 57 | 116.8 | 156.1 | -77 | 0 | 0 | 0 | 0 | 124 | ||||
| 464 | T | 26.5 | Very low | 33.7 | Very low | 133 Ų | 133 | 111.9 Ų | 111.9 | 82% | 0.816 | 72% | 0.721 | S | S | * | * | 81.6 | 133.5 | 124.1 | -50.2 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 465 | A | 28.4 | Very low | 33.5 | Very low | 92 Ų | 92 | 107.6 Ų | 107.6 | 76% | 0.76 | 71% | 0.705 | S | S | * | * | trans | -71 | 155.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 466 | A | 26.9 | Very low | 33.4 | Very low | 92 Ų | 92 | 106.7 Ų | 106.7 | 76% | 0.76 | 70% | 0.702 | S | S | * | * | 174.8 | 155.7 | 94.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 467 | S | 27.4 | Very low | 33.1 | Very low | 104 Ų | 104 | 107 Ų | 107 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | trans | 79.2 | 140.7 | 138.7 | -159.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 468 | S | 27.4 | Very low | 32.8 | Very low | 88 Ų | 88 | 105.6 Ų | 105.6 | 62% | 0.615 | 70% | 0.704 | S | S | * | * | trans | 64 | 104.7 | 140.8 | 51.2 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 469 | M | 42.1 | Very low | 33 | Very low | 157 Ų | 157 | 104.7 Ų | 104.7 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | -47.2 | 159.9 | 129.2 | -46.8 | -71.9 | 87.4 | 0 | 0 | 110.6 | |||||
| 470 | P | 42.3 | Very low | 32.8 | Very low | 72 Ų | 72 | 105.5 Ų | 105.5 | 47% | 0.468 | 70% | 0.697 | S | S | . | * | -148 | -134.9 | 53.3 | 27 | 2.8 | 0 | 0 | 0 | 117.3 | N752 Q753 | P470-N752 WeakPolarHBondContact CB-OD1 3.49Å; P470-N752 VanDerWaalsContact CD-CG 3.45Å; P470-N752 HydrophobicContact CG-CB 3.84Å; P470-N752 VanDerWaalsContact CG-CG 3.49Å; P470-N752 WeakPolarHBondContact CG-OD1 3.48Å; P470-Q753 HydrophobicContact CG-CG 3.39Å | |||
| 471 | M | 28.1 | Very low | 32.4 | Very low | 121 Ų | 121 | 105.2 Ų | 105.2 | 60% | 0.596 | 70% | 0.695 | S | S | * | * | trans | -105.2 | 164.5 | -136 | -81.4 | 172.4 | 63.6 | 0 | 0 | 117.2 | N752 | M471-N752 PolarHBondContact N-ND2 2.91Å; M471-N752 VanDerWaalsContact N-ND2 3.2Å; M471-N752 PolarHBondContact N-OD1 3.5Å; M471-N752 PolarHBondContact O-ND2 2.89Å | ||
| 472 | E | 30.2 | Very low | 31.3 | Very low | 131 Ų | 131 | 106.5 Ų | 106.5 | 61% | 0.612 | 70% | 0.701 | S | S | * | * | trans | 63.3 | 139.7 | 147.2 | -80.2 | -171.7 | 125.8 | 0 | 0 | 120.2 | ||||
| 473 | V | 28.6 | Very low | 31.7 | Very low | 62 Ų | 62 | 108.3 Ų | 108.3 | 38% | 0.376 | 71% | 0.705 | S | S | . | * | -169.3 | 164.2 | 56.5 | 91.1 | 0 | 0 | 0 | 0 | 117 | A748 | V473-A748 HydrophobicContact CG2-CB 3.64Š| |||
| 474 | S | 29.8 | Very low | 32.5 | Very low | 82 Ų | 82 | 108.5 Ų | 108.5 | 57% | 0.573 | 71% | 0.705 | S | S | * | * | trans | 50.6 | -175.7 | 142.2 | 53.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 475 | S | 31.3 | Very low | 32.5 | Very low | 83 Ų | 83 | 108.1 Ų | 108.1 | 58% | 0.58 | 70% | 0.702 | S | S | * | * | -140.8 | 173 | -54.7 | -153.7 | 0 | 0 | 0 | 0 | 110.7 | S746 | S475-S746 PolarHBondContact OG-O 3.24Š| |||
| 476 | S | 38 | Very low | 32.6 | Very low | 111 Ų | 111 | 111 Ų | 111 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | trans | -89.5 | 152.1 | -170.3 | -177 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 477 | A | 27 | Very low | 32.7 | Very low | 101 Ų | 101 | 114.6 Ų | 114.6 | 84% | 0.835 | 70% | 0.701 | S | S | * | * | trans | -157.8 | 154.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 478 | A | 34.8 | Very low | 32.6 | Very low | 95 Ų | 95 | 114.4 Ų | 114.4 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | trans | -161.3 | -172.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 479 | P | 54.8 | Low | 32.6 | Very low | 118 Ų | 118 | 114.7 Ų | 114.7 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | cis | -136.8 | -173 | -10.8 | 42.1 | -24 | 0 | 0 | 0 | 115.5 | ||||
| 480 | A | 28.1 | Very low | 32.7 | Very low | 95 Ų | 95 | 112.4 Ų | 112.4 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | trans | 73.3 | 143.7 | 149 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 481 | V | 27.6 | Very low | 31.9 | Very low | 137 Ų | 137 | 115.8 Ų | 115.8 | 83% | 0.83 | 72% | 0.72 | S | S | * | * | trans | -179.6 | 123.2 | 140 | 141.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 482 | V | 27.9 | Very low | 31.9 | Very low | 137 Ų | 137 | 118.8 Ų | 118.8 | 83% | 0.83 | 72% | 0.724 | S | S | * | * | trans | 57.5 | 142.4 | 146.3 | -177.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 483 | L | 33.9 | Very low | 31.8 | Very low | 157 Ų | 157 | 119.7 Ų | 119.7 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | trans | -98.6 | 166 | 172.9 | -79.2 | 165.5 | 0 | 0 | 0 | 112.9 | ||||
| 484 | P | 42.2 | Very low | 31.6 | Very low | 111 Ų | 111 | 122 Ų | 122 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | -149.1 | 157.2 | 108.4 | 40.1 | -25.4 | 0 | 0 | 0 | 116.7 | |||||
| 485 | V | 25.8 | Very low | 31.4 | Very low | 125 Ų | 125 | 123.8 Ų | 123.8 | 76% | 0.758 | 76% | 0.761 | S | S | * | * | trans | 49.7 | 129.7 | 134.6 | 174.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 486 | Q | 29.5 | Very low | 31.5 | Very low | 151 Ų | 151 | 126.1 Ų | 126.1 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | cis | -161.5 | 164.4 | 23.4 | -142.1 | 161.1 | -0.5 | 0 | 0 | 112.1 | ||||
| 487 | Q | 29.7 | Very low | 32.4 | Very low | 168 Ų | 168 | 126.5 Ų | 126.5 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 38.4 | 139.9 | 148.8 | -79.5 | 161.3 | -26.2 | 0 | 0 | 121.7 | ||||
| 488 | A | 25.9 | Very low | 33 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | cis | -154.9 | 175.3 | -0.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 489 | A | 26.4 | Very low | 32.6 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | trans | -109.4 | -169.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 490 | P | 43.9 | Very low | 31.4 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | cis | -148.9 | 177.5 | 8.6 | 47.9 | -29 | 0 | 0 | 0 | 119.2 | ||||
| 491 | E | 26 | Very low | 31.7 | Very low | 143 Ų | 143 | 131 Ų | 131 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | trans | 61.5 | 154.9 | 150.8 | -54.6 | -116.3 | 123.1 | 0 | 0 | 119.9 | ||||
| 492 | R | 28.6 | Very low | 31.8 | Very low | 184 Ų | 184 | 131.5 Ų | 131.5 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | cis | -157.1 | 148.8 | -21.5 | -115.9 | -168.2 | -158.6 | -176.4 | 22.8 | 112.6 | ||||
| 493 | M | 28.1 | Very low | 32 | Very low | 150 Ų | 150 | 130.9 Ų | 130.9 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | trans | 28.4 | 134 | 141.8 | -57.9 | 175.4 | 92.5 | 0 | 0 | 124.3 | ||||
| 494 | C | 24.3 | Very low | 31.7 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 75% | 0.75 | 76% | 0.764 | S | S | * | * | trans | 88.5 | 137.3 | 133.1 | -83.9 | 0 | 0 | 0 | 0 | 125 | ||||
| 495 | S | 26.3 | Very low | 31.1 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | 89.7 | 151.4 | 143.9 | -62.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 496 | T | 31.7 | Very low | 31.6 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | -112.4 | 173 | -169.5 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 497 | P | 57.5 | Low | 31.5 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | cis | -114.2 | -91.4 | -17.7 | 28.6 | -6.6 | 0 | 0 | 0 | 111.3 | ||||
| 498 | P | 41 | Very low | 31.6 | Very low | 101 Ų | 101 | 123.6 Ų | 123.6 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | cis | -122.7 | 166.8 | -24.6 | 39.6 | -23.5 | 0 | 0 | 0 | 116.5 | ||||
| 499 | N | 25.2 | Very low | 31.9 | Very low | 158 Ų | 158 | 126.9 Ų | 126.9 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | 45 | 140.5 | 151 | -66.7 | -5.6 | 0 | 0 | 0 | 124.3 | ||||
| 500 | S | 29.3 | Very low | 32.2 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -73.5 | 162.9 | 170.3 | -34.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 501 | P | 34.9 | Very low | 32 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -133.5 | 173.3 | 130.1 | 38.9 | -29.8 | 0 | 0 | 0 | 115.3 | ||||
| 502 | I | 29.6 | Very low | 32 | Very low | 147 Ų | 147 | 131.6 Ų | 131.6 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 144.1 | -179 | -67.9 | 149.8 | 0 | 0 | 0 | 113 | ||
| 503 | P | 31.3 | Very low | 32.1 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 134.6 | 157.9 | 34.3 | -29.7 | 0 | 0 | 0 | 111.4 | ||
| 504 | S | 28.8 | Very low | 32.3 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -98 | 154.8 | 170.4 | -65.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 505 | D | 29 | Very low | 32.9 | Very low | 148 Ų | 148 | 129.5 Ų | 129.5 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 140.7 | 179.6 | -173.5 | 22.5 | 0 | 0 | 0 | 112.9 | ||
| 506 | P | 35.6 | Very low | 33.3 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -121.7 | 98 | 165.3 | 36 | -21.3 | 0 | 0 | 0 | 112.6 | ||||
| 507 | A | 29.1 | Very low | 33.2 | Very low | 91 Ų | 91 | 132.2 Ų | 132.2 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -86 | 134.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 508 | A | 30.2 | Very low | 32.1 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -161.7 | 148.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 509 | L | 33 | Very low | 31.6 | Very low | 169 Ų | 169 | 136 Ų | 136 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | trans | 76.4 | 107.5 | 164.8 | -52.6 | -176.9 | 0 | 0 | 0 | 119.3 | ||||
| 510 | L | 32.9 | Very low | 31.9 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -75.2 | 162 | 152.5 | -60.2 | 170.4 | 0 | 0 | 0 | 110 | ||||
| 511 | P | 38.6 | Very low | 32.1 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | -128.6 | 179.2 | 102.2 | 38.4 | -33 | 0 | 0 | 0 | 114.3 | |||||
| 512 | D | 27.9 | Very low | 32.8 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -92.3 | 179.7 | -170.1 | -177.2 | 32.7 | 0 | 0 | 0 | 113.8 | ||||
| 513 | V | 29.9 | Very low | 32.8 | Very low | 135 Ų | 135 | 133 Ų | 133 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | 92.6 | 152.8 | 172.5 | -170.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 514 | S | 32.9 | Very low | 32.9 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 69% | 0.692 | 82% | 0.824 | S | S | * | * | trans | -137.1 | 160.5 | -147 | -167 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 515 | M | 36.2 | Very low | 33 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | 78.9 | 141.1 | 164.7 | -56 | -62.6 | -74.5 | 0 | 0 | 121.3 | ||||
| 516 | S | 34 | Very low | 33.4 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | 100.4 | 152.1 | 150.2 | -58.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 517 | E | 30.8 | Very low | 33.9 | Very low | 190 Ų | 190 | 129.1 Ų | 129.1 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | trans | -88.5 | 161.8 | -159.6 | -58.2 | 164.8 | 80.8 | 0 | 0 | 115.8 | ||||
| 518 | A | 34.2 | Very low | 34.5 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | 149.2 | 158 | 124.9 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 519 | E | 30.2 | Very low | 35.3 | Very low | 197 Ų | 197 | 129.9 Ų | 129.9 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -60.2 | 145.2 | -167 | -59.1 | 170.9 | 71.8 | 0 | 0 | 118.3 | ||||
| 520 | A | 30.7 | Very low | 36 | Very low | 106 Ų | 106 | 126 Ų | 126 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | -171.2 | 153.5 | 118.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 521 | Q | 34.7 | Very low | 37.1 | Very low | 187 Ų | 187 | 122 Ų | 122 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -127.4 | 179.1 | 175.6 | -109.1 | -164.9 | 15.1 | 0 | 0 | 109.6 | ||||
| 522 | P | 49.3 | Very low | 38.1 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | cis | -130.4 | -177.9 | -13.4 | 31.9 | -11.5 | 0 | 0 | 0 | 113.6 | ||||
| 523 | G | 28.5 | Very low | 39.9 | Very low | 74 Ų | 74 | 118 Ų | 118 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | trans | -176.4 | 64.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 524 | S | 33.6 | Very low | 41.4 | Very low | 137 Ų | 137 | 119.4 Ų | 119.4 | 96% | 0.958 | 74% | 0.74 | S | S | * | * | trans | 60.8 | 132.1 | 157 | -162 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 525 | G | 31.7 | Very low | 43.3 | Very low | 68 Ų | 68 | 119 Ų | 119 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | trans | 145.9 | 91.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 526 | S | 38.2 | Very low | 45.7 | Very low | 134 Ų | 134 | 119 Ų | 119 | 94% | 0.937 | 72% | 0.721 | S | S | * | * | trans | 60.5 | 153 | 158.7 | -153.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 527 | G | 46.2 | Very low | 48.2 | Very low | 80 Ų | 80 | 120.4 Ų | 120.4 | 83% | 0.825 | 71% | 0.707 | S | S | * | * | trans | -93.6 | 119.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 528 | S | 40.9 | Very low | 50.8 | Low | 101 Ų | 101 | 116.6 Ų | 116.6 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | -146.4 | 152.3 | 153.6 | 70 | 0 | 0 | 0 | 0 | 109.9 | Q530 | S528-Q530 PolarHBondContact O-N 3.21Š| ||
| 529 | P | 46.3 | Very low | 53.2 | Low | 98 Ų | 98 | 117.6 Ų | 117.6 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | trans | -73.6 | 99.6 | -179.4 | 28.9 | -33.5 | 0 | 0 | 0 | 110.8 | ||||
| 530 | Q | 48.7 | Very low | 56.1 | Low | 86 Ų | 86 | 113.9 Ų | 113.9 | 40% | 0.402 | 66% | 0.662 | S | S | . | * | trans | -49 | 133.6 | -178.9 | -135 | -79.7 | 11.1 | 0 | 0 | 111.8 | S528 E532 E533 | S528-Q530 PolarHBondContact O-N 3.21Å; Q530-E532 VanDerWaalsContact C-N 3.25Å; Q530-E532 VanDerWaalsContact CD-CD 3.45Å; Q530-E532 PolarHBondContact NE2-OE1 2.88Å; Q530-E532 PolarHBondContact NE2-OE2 2.87Å; Q530-E532 PolarHBondContact O-N 2.97Å; Q530-E532 VanDerWaalsContact OE1-CB 3.31Å; Q530-E532 VanDerWaalsContact OE1-CG 3.23Å; Q530-E532 PolarHBondContact OE1-OE1 3.41Å; Q530-E533 PolarHBondContact O-N 3.32Å; Q530-E533 VanDerWaalsContact O-N 3.17Å | ||
| 531 | P | 55.8 | Low | 58.9 | Low | 83 Ų | 83 | 114.7 Ų | 114.7 | 54% | 0.539 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -54.7 | -34.2 | -178.8 | 19.9 | -33.6 | 0 | 0 | 0 | 114.7 | E533 R534 D535 | P531-E533 PolarHBondContact O-N 2.85Å; P531-E533 VanDerWaalsContact O-N 3.17Å; P531-R534 WeakPolarHBondContact O-CA 3.35Å; P531-R534 WeakPolarHBondContact O-CB 3.38Å; P531-R534 PolarHBondContact O-N 3.3Å; P531-D535 PolarHBondContact O-N 3.47Å; P531-D535 VanDerWaalsContact O-N 3.11Å |
| 532 | E | 59.2 | Low | 61.5 | Low | 132 Ų | 132 | 109.9 Ų | 109.9 | 62% | 0.617 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -55.3 | -34.4 | 178.3 | -69.3 | 154.5 | -151.8 | 0 | 0 | 112.8 | Q530 R534 D535 R536 | Q530-E532 VanDerWaalsContact C-N 3.25Å; Q530-E532 VanDerWaalsContact CD-CD 3.45Å; Q530-E532 PolarHBondContact NE2-OE1 2.88Å; Q530-E532 PolarHBondContact NE2-OE2 2.87Å; Q530-E532 PolarHBondContact O-N 2.97Å; Q530-E532 VanDerWaalsContact OE1-CB 3.31Å; Q530-E532 VanDerWaalsContact OE1-CG 3.23Å; Q530-E532 PolarHBondContact OE1-OE1 3.41Å; E532-R534 VanDerWaalsContact C-N 3.3Å; E532-R534 PolarHBondContact O-N 3.29Å; E532-D535 PolarHBondContact O-N 3.44Å; E532-R536 WeakPolarHBondContact O-CB 3.3Å; E532-R536 PolarHBondContact O-N 3.35Å |
| 533 | E | 66.6 | Low | 63.7 | Low | 62 Ų | 62 | 112.1 Ų | 112.1 | 29% | 0.29 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -70.8 | -26 | 177.4 | 178.4 | 61.7 | -168.2 | 0 | 0 | 112.1 | Q530 P531 R536 R537 | Q530-E533 PolarHBondContact O-N 3.32Å; Q530-E533 VanDerWaalsContact O-N 3.17Å; P531-E533 PolarHBondContact O-N 2.85Å; P531-E533 VanDerWaalsContact O-N 3.17Å; E533-R536 IonicContact OE1-NH1 3.8Å; E533-R536 IonicContact OE2-CZ 3.19Å; E533-R536 IonicContact OE2-NH1 2.79Å; E533-R536 PolarHBondContact OE2-NH1 2.87Å; E533-R537 VanDerWaalsContact O-CD 3.3Å; E533-R537 WeakPolarHBondContact O-CD 3.49Å; E533-R537 WeakPolarHBondContact O-CG 3.43Å; E533-R537 PolarHBondContact O-N 3.37Å; E533-R537 IonicContact OE1-CZ 2.69Å; E533-R537 IonicContact OE1-NE 3.19Å; E533-R537 PolarHBondContact OE1-NE 3.03Å; E533-R537 IonicContact OE1-NH2 3.6Å; E533-R537 PolarHBondContact OE1-NH2 3.34Å |
| 534 | R | 60.5 | Low | 66.5 | Low | 166 Ų | 166 | 113.3 Ų | 113.3 | 63% | 0.626 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -77.1 | -45.5 | 173 | -60.7 | -176.9 | -176.2 | 164.3 | 3.8 | 110.8 | P531 E532 R536 R537 L538 | P531-R534 WeakPolarHBondContact O-CA 3.35Å; P531-R534 WeakPolarHBondContact O-CB 3.38Å; P531-R534 PolarHBondContact O-N 3.3Å; E532-R534 VanDerWaalsContact C-N 3.3Å; E532-R534 PolarHBondContact O-N 3.29Å; R534-R536 VanDerWaalsContact C-N 3.35Å; R534-R537 CarbonylContact O-C 3.51Å; R534-R537 PolarHBondContact O-N 2.96Å; R534-L538 PolarHBondContact O-N 3.13Å |
| 535 | D | 72.4 | Confident | 69.2 | Low | 91 Ų | 91 | 111.2 Ų | 111.2 | 49% | 0.487 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.8 | -38.7 | 179.4 | -70.3 | -15.7 | 0 | 0 | 0 | 111.2 | P531 E532 R537 L538 H539 | P531-D535 PolarHBondContact O-N 3.47Å; P531-D535 VanDerWaalsContact O-N 3.11Å; E532-D535 PolarHBondContact O-N 3.44Å; D535-R537 VanDerWaalsContact C-N 3.33Å; D535-R537 PolarHBondContact O-N 3.48Å; D535-L538 WeakPolarHBondContact O-CB 3.43Å; D535-L538 PolarHBondContact O-N 3.32Å; D535-L538 VanDerWaalsContact O-N 3.13Å; D535-H539 PolarHBondContact O-N 2.81Å; D535-H539 PolarHBondContact O-ND1 3.02Å |
| 536 | R | 87.4 | Confident | 72.1 | Confident | 166 Ų | 166 | 111.9 Ų | 111.9 | 63% | 0.626 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -56.6 | -44.4 | 170.4 | 177.3 | 177.2 | 165.4 | -122.9 | -4.3 | 112.2 | E532 E533 R534 H539 E540 | E532-R536 WeakPolarHBondContact O-CB 3.3Å; E532-R536 PolarHBondContact O-N 3.35Å; E533-R536 IonicContact OE1-NH1 3.8Å; E533-R536 IonicContact OE2-CZ 3.19Å; E533-R536 IonicContact OE2-NH1 2.79Å; E533-R536 PolarHBondContact OE2-NH1 2.87Å; R534-R536 VanDerWaalsContact C-N 3.35Å; R536-H539 PolarHBondContact O-N 3.48Å; R536-E540 WeakPolarHBondContact O-CB 2.96Å; R536-E540 PolarHBondContact O-N 3.47Å |
| 537 | R | 86.8 | Confident | 74.8 | Confident | 147 Ų | 147 | 109.2 Ų | 109.2 | 56% | 0.555 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.5 | -32.8 | 175.2 | -72 | 169 | -172.5 | -129 | 0.7 | 112.5 | E533 R534 D535 E540 K541 | E533-R537 VanDerWaalsContact O-CD 3.3Å; E533-R537 WeakPolarHBondContact O-CD 3.49Å; E533-R537 WeakPolarHBondContact O-CG 3.43Å; E533-R537 PolarHBondContact O-N 3.37Å; E533-R537 IonicContact OE1-CZ 2.69Å; E533-R537 IonicContact OE1-NE 3.19Å; E533-R537 PolarHBondContact OE1-NE 3.03Å; E533-R537 IonicContact OE1-NH2 3.6Å; E533-R537 PolarHBondContact OE1-NH2 3.34Å; R534-R537 CarbonylContact O-C 3.51Å; R534-R537 PolarHBondContact O-N 2.96Å; D535-R537 VanDerWaalsContact C-N 3.33Å; D535-R537 PolarHBondContact O-N 3.48Å; R537-E540 PolarHBondContact O-N 3.01Å; R537-K541 WeakPolarHBondContact O-CB 2.99Å; R537-K541 VanDerWaalsContact O-CG 3.28Å; R537-K541 WeakPolarHBondContact O-CG 3.42Å; R537-K541 PolarHBondContact O-N 3.46Å |
| 538 | L | 83.9 | Confident | 76.9 | Confident | 111 Ų | 111 | 111 Ų | 111 | 58% | 0.581 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.1 | -44.4 | 174.2 | -172.7 | 148.5 | 0 | 0 | 0 | 111.1 | R534 D535 E540 K541 Q542 | R534-L538 PolarHBondContact O-N 3.13Å; D535-L538 WeakPolarHBondContact O-CB 3.43Å; D535-L538 PolarHBondContact O-N 3.32Å; D535-L538 VanDerWaalsContact O-N 3.13Å; L538-E540 VanDerWaalsContact C-N 3.35Å; L538-E540 PolarHBondContact O-N 3.28Å; L538-K541 PolarHBondContact O-N 2.81Å; L538-Q542 WeakPolarHBondContact O-CB 3.42Å; L538-Q542 PolarHBondContact O-N 2.95Å |
| 539 | H | 84.8 | Confident | 79 | Confident | 123 Ų | 123 | 111.9 Ų | 111.9 | 57% | 0.569 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.6 | -36.1 | 173.5 | -72.2 | 87.6 | 0 | 0 | 0 | 112.6 | D535 R536 Q542 R543 | D535-H539 PolarHBondContact O-N 2.81Å; D535-H539 PolarHBondContact O-ND1 3.02Å; R536-H539 PolarHBondContact O-N 3.48Å; H539-Q542 PolarHBondContact O-N 3.21Å; H539-R543 WeakPolarHBondContact O-CB 3.49Å; H539-R543 PolarHBondContact O-N 3.23Å |
| 540 | E | 91.3 | Very high | 81.3 | Confident | 120 Ų | 120 | 113 Ų | 113 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.5 | -39.7 | 172.5 | -174.3 | 172.2 | -124.1 | 0 | 0 | 112 | R536 R537 L538 R543 Q544 | R536-E540 WeakPolarHBondContact O-CB 2.96Å; R536-E540 PolarHBondContact O-N 3.47Å; R537-E540 PolarHBondContact O-N 3.01Å; L538-E540 VanDerWaalsContact C-N 3.35Å; L538-E540 PolarHBondContact O-N 3.28Å; E540-R543 PolarHBondContact O-N 3.46Å; E540-Q544 WeakPolarHBondContact O-CB 3.18Å; E540-Q544 PolarHBondContact O-N 3.21Å |
| 541 | K | 90.4 | Very high | 83.4 | Confident | 122 Ų | 122 | 115 Ų | 115 | 53% | 0.53 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 173.6 | -72.3 | -72.1 | 158.9 | -166 | 0 | 112.5 | R537 L538 Q544 I545 | R537-K541 WeakPolarHBondContact O-CB 2.99Å; R537-K541 VanDerWaalsContact O-CG 3.28Å; R537-K541 WeakPolarHBondContact O-CG 3.42Å; R537-K541 PolarHBondContact O-N 3.46Å; L538-K541 PolarHBondContact O-N 2.81Å; K541-Q544 PolarHBondContact O-N 3.49Å; K541-I545 VanDerWaalsContact O-CG1 3.31Å; K541-I545 WeakPolarHBondContact O-CG1 3.26Å; K541-I545 PolarHBondContact O-N 2.85Å |
| 542 | Q | 89.4 | Confident | 85.1 | Confident | 87 Ų | 87 | 116 Ų | 116 | 41% | 0.407 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 173.8 | 178.9 | 54.7 | 33.1 | 0 | 0 | 111.3 | L538 H539 Q544 I545 E546 | L538-Q542 WeakPolarHBondContact O-CB 3.42Å; L538-Q542 PolarHBondContact O-N 2.95Å; H539-Q542 PolarHBondContact O-N 3.21Å; Q542-Q544 VanDerWaalsContact C-N 3.3Å; Q542-Q544 PolarHBondContact O-N 3.42Å; Q542-I545 WeakPolarHBondContact O-CB 3.42Å; Q542-I545 PolarHBondContact O-N 2.81Å; Q542-I545 VanDerWaalsContact O-N 3.13Å; Q542-E546 WeakPolarHBondContact CG-OE1 3Å; Q542-E546 PolarHBondContact NE2-OE1 3.36Å; Q542-E546 PolarHBondContact O-N 3.18Å |
| 543 | R | 94.3 | Very high | 86.7 | Confident | 167 Ų | 167 | 114.2 Ų | 114.2 | 63% | 0.63 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.6 | -42.4 | 172.4 | -171.9 | -169.6 | -55.4 | -81.8 | -1.7 | 112.1 | H539 E540 I545 E546 D547 | H539-R543 WeakPolarHBondContact O-CB 3.49Å; H539-R543 PolarHBondContact O-N 3.23Å; E540-R543 PolarHBondContact O-N 3.46Å; R543-I545 VanDerWaalsContact C-N 3.34Å; R543-I545 PolarHBondContact O-N 3.49Å; R543-E546 PolarHBondContact O-N 3.4Å; R543-D547 PolarHBondContact O-N 2.72Å |
| 544 | Q | 87.9 | Confident | 87.7 | Confident | 99 Ų | 99 | 118.4 Ų | 118.4 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.5 | -35 | 177.4 | -175.7 | 162.9 | 71.7 | 0 | 0 | 112.2 | E540 K541 Q542 L548 | E540-Q544 WeakPolarHBondContact O-CB 3.18Å; E540-Q544 PolarHBondContact O-N 3.21Å; K541-Q544 PolarHBondContact O-N 3.49Å; Q542-Q544 VanDerWaalsContact C-N 3.3Å; Q542-Q544 PolarHBondContact O-N 3.42Å; Q544-L548 HydrophobicContact CG-CD1 4.13Å; Q544-L548 WeakPolarHBondContact O-CB 3.45Å; Q544-L548 WeakPolarHBondContact O-CD1 3.23Å; Q544-L548 PolarHBondContact O-N 2.88Å; Q544-L548 VanDerWaalsContact O-N 3.07Å |
| 545 | I | 90.7 | Very high | 89.2 | Confident | 92 Ų | 92 | 115.7 Ų | 115.7 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -46.7 | 171.6 | -70 | 161.4 | 0 | 0 | 0 | 110.5 | K541 Q542 R543 D547 L548 M549 | K541-I545 VanDerWaalsContact O-CG1 3.31Å; K541-I545 WeakPolarHBondContact O-CG1 3.26Å; K541-I545 PolarHBondContact O-N 2.85Å; Q542-I545 WeakPolarHBondContact O-CB 3.42Å; Q542-I545 PolarHBondContact O-N 2.81Å; Q542-I545 VanDerWaalsContact O-N 3.13Å; R543-I545 VanDerWaalsContact C-N 3.34Å; R543-I545 PolarHBondContact O-N 3.49Å; I545-D547 PolarHBondContact O-N 2.9Å; I545-L548 PolarHBondContact O-N 2.76Å; I545-M549 HydrophobicContact CG2-CG 4.42Å; I545-M549 WeakPolarHBondContact O-CG 3.42Å; I545-M549 PolarHBondContact O-N 2.97Å |
| 546 | E | 91.9 | Very high | 89.9 | Confident | 83 Ų | 83 | 117.8 Ų | 117.8 | 39% | 0.388 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 179 | -74.1 | 166.9 | -153.9 | 0 | 0 | 112.9 | Q542 R543 M549 R550 | Q542-E546 WeakPolarHBondContact CG-OE1 3Å; Q542-E546 PolarHBondContact NE2-OE1 3.36Å; Q542-E546 PolarHBondContact O-N 3.18Å; R543-E546 PolarHBondContact O-N 3.4Å; E546-M549 PolarHBondContact O-N 3.16Å; E546-R550 WeakPolarHBondContact O-CB 3.44Å; E546-R550 PolarHBondContact O-N 2.83Å |
| 547 | D | 94.5 | Very high | 90.1 | Very high | 77 Ų | 77 | 117.3 Ų | 117.3 | 41% | 0.412 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70 | -30.7 | 175 | -86.7 | -40.3 | 0 | 0 | 0 | 112.9 | R543 I545 R550 K551 | R543-D547 PolarHBondContact O-N 2.72Å; I545-D547 PolarHBondContact O-N 2.9Å; D547-R550 IonicContact OD1-CZ 3.98Å; D547-R550 IonicContact OD1-NH1 3.42Å; D547-R550 PolarHBondContact OD1-NH1 3.28Å; D547-K551 WeakPolarHBondContact O-CB 3.36Å; D547-K551 PolarHBondContact O-N 3.03Å |
| 548 | L | 91.3 | Very high | 90.3 | Very high | 117 Ų | 117 | 115.1 Ų | 115.1 | 61% | 0.613 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.9 | -44 | 169.2 | -99.9 | 85.8 | 0 | 0 | 0 | 111.9 | Q544 I545 K551 L552 | Q544-L548 HydrophobicContact CG-CD1 4.13Å; Q544-L548 WeakPolarHBondContact O-CB 3.45Å; Q544-L548 WeakPolarHBondContact O-CD1 3.23Å; Q544-L548 PolarHBondContact O-N 2.88Å; Q544-L548 VanDerWaalsContact O-N 3.07Å; I545-L548 PolarHBondContact O-N 2.76Å; L548-K551 PolarHBondContact O-N 3.31Å; L548-K551 VanDerWaalsContact O-N 3.17Å; L548-L552 WeakPolarHBondContact O-CB 3.44Å; L548-L552 PolarHBondContact O-N 3.44Å |
| 549 | M | 85.1 | Confident | 90.7 | Very high | 121 Ų | 121 | 114.4 Ų | 114.4 | 60% | 0.596 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.9 | -46.3 | 175.2 | -66.9 | -153.7 | -52 | 0 | 0 | 111 | I545 E546 K551 L552 E553 | I545-M549 HydrophobicContact CG2-CG 4.42Å; I545-M549 WeakPolarHBondContact O-CG 3.42Å; I545-M549 PolarHBondContact O-N 2.97Å; E546-M549 PolarHBondContact O-N 3.16Å; M549-K551 PolarHBondContact O-N 3.23Å; M549-L552 PolarHBondContact O-N 2.92Å; M549-E553 PolarHBondContact O-N 3.06Å |
| 550 | R | 93.7 | Very high | 91 | Very high | 120 Ų | 120 | 115 Ų | 115 | 45% | 0.453 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.5 | -26.6 | 176.7 | -163.8 | -169.8 | -70.6 | 146.4 | -7.8 | 112.3 | E546 D547 R554 | E546-R550 WeakPolarHBondContact O-CB 3.44Å; E546-R550 PolarHBondContact O-N 2.83Å; D547-R550 IonicContact OD1-CZ 3.98Å; D547-R550 IonicContact OD1-NH1 3.42Å; D547-R550 PolarHBondContact OD1-NH1 3.28Å; R550-R554 VanDerWaalsContact C-NH1 3.33Å; R550-R554 WeakPolarHBondContact O-CG 3.32Å; R550-R554 PolarHBondContact O-NH1 3.37Å |
| 551 | K | 92.8 | Very high | 91 | Very high | 130 Ų | 130 | 114.2 Ų | 114.2 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -75 | -47 | 171.1 | -171.2 | -179 | 175.2 | -171.6 | 0 | 111.1 | D547 L548 M549 E553 R554 E555 | D547-K551 WeakPolarHBondContact O-CB 3.36Å; D547-K551 PolarHBondContact O-N 3.03Å; L548-K551 PolarHBondContact O-N 3.31Å; L548-K551 VanDerWaalsContact O-N 3.17Å; M549-K551 PolarHBondContact O-N 3.23Å; K551-E553 VanDerWaalsContact C-N 3.32Å; K551-E553 PolarHBondContact O-N 3.37Å; K551-R554 PolarHBondContact O-N 3.25Å; K551-E555 PolarHBondContact O-N 2.87Å |
| 552 | L | 91.9 | Very high | 91 | Very high | 103 Ų | 103 | 112.6 Ų | 112.6 | 54% | 0.539 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.4 | -41.9 | 177.6 | -178.3 | 63.3 | 0 | 0 | 0 | 111.8 | L548 M549 R554 E555 Q556 | L548-L552 WeakPolarHBondContact O-CB 3.44Å; L548-L552 PolarHBondContact O-N 3.44Å; M549-L552 PolarHBondContact O-N 2.92Å; L552-R554 PolarHBondContact O-N 3.21Å; L552-E555 PolarHBondContact O-N 3.15Å; L552-Q556 VanDerWaalsContact O-CB 3.26Å; L552-Q556 WeakPolarHBondContact O-CB 3.48Å; L552-Q556 PolarHBondContact O-N 3.24Å |
| 553 | E | 92.1 | Very high | 91 | Very high | 95 Ų | 95 | 115.1 Ų | 115.1 | 44% | 0.444 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 176.3 | -167.2 | -159.8 | 163.6 | 0 | 0 | 112 | M549 K551 E555 Q556 R557 | M549-E553 PolarHBondContact O-N 3.06Å; K551-E553 VanDerWaalsContact C-N 3.32Å; K551-E553 PolarHBondContact O-N 3.37Å; E553-E555 VanDerWaalsContact C-N 3.34Å; E553-E555 PolarHBondContact O-N 3.19Å; E553-Q556 PolarHBondContact O-N 2.91Å; E553-R557 WeakPolarHBondContact O-CG 3.5Å; E553-R557 PolarHBondContact O-N 3.27Å; E553-R557 IonicContact OE1-CZ 2.69Å; E553-R557 IonicContact OE1-NE 3.25Å; E553-R557 PolarHBondContact OE1-NE 2.98Å; E553-R557 IonicContact OE1-NH2 3.92Å; E553-R557 PolarHBondContact OE1-NH2 3.5Å |
| 554 | R | 89.2 | Confident | 90.5 | Very high | 149 Ų | 149 | 112.4 Ų | 112.4 | 56% | 0.562 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64 | -40.3 | 176.2 | -68.9 | -178.2 | -163.1 | 102.9 | -19.6 | 112 | R550 K551 L552 Q556 R557 L558 | R550-R554 VanDerWaalsContact C-NH1 3.33Å; R550-R554 WeakPolarHBondContact O-CG 3.32Å; R550-R554 PolarHBondContact O-NH1 3.37Å; K551-R554 PolarHBondContact O-N 3.25Å; L552-R554 PolarHBondContact O-N 3.21Å; R554-Q556 VanDerWaalsContact C-N 3.35Å; R554-R557 PolarHBondContact O-N 3.35Å; R554-L558 WeakPolarHBondContact O-CB 3.27Å; R554-L558 PolarHBondContact O-N 3.22Å |
| 555 | E | 90.5 | Very high | 90.2 | Very high | 110 Ų | 110 | 112.6 Ų | 112.6 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.9 | -38.6 | 177.9 | -158.7 | 167.8 | 116.3 | 0 | 0 | 110.9 | K551 L552 E553 L558 V559 | K551-E555 PolarHBondContact O-N 2.87Å; L552-E555 PolarHBondContact O-N 3.15Å; E553-E555 VanDerWaalsContact C-N 3.34Å; E553-E555 PolarHBondContact O-N 3.19Å; E555-L558 PolarHBondContact O-N 3.49Å; E555-V559 WeakPolarHBondContact O-CG2 3.33Å; E555-V559 PolarHBondContact O-N 3.27Å |
| 556 | Q | 87 | Confident | 89.7 | Confident | 134 Ų | 134 | 113.6 Ų | 113.6 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.6 | -39.9 | 176.3 | -166.7 | 143.9 | 91.3 | 0 | 0 | 112.3 | L552 E553 R554 V559 E560 | L552-Q556 VanDerWaalsContact O-CB 3.26Å; L552-Q556 WeakPolarHBondContact O-CB 3.48Å; L552-Q556 PolarHBondContact O-N 3.24Å; E553-Q556 PolarHBondContact O-N 2.91Å; R554-Q556 VanDerWaalsContact C-N 3.35Å; Q556-V559 PolarHBondContact O-N 3.09Å; Q556-E560 WeakPolarHBondContact O-CB 3.44Å; Q556-E560 PolarHBondContact O-N 2.82Å |
| 557 | R | 92.5 | Very high | 89 | Confident | 156 Ų | 156 | 114.1 Ų | 114.1 | 59% | 0.589 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.8 | -37.7 | 169.7 | -71 | -170.7 | -163.6 | -157.1 | 5.4 | 112.6 | E553 R554 V559 E560 E561 | E553-R557 WeakPolarHBondContact O-CG 3.5Å; E553-R557 PolarHBondContact O-N 3.27Å; E553-R557 IonicContact OE1-CZ 2.69Å; E553-R557 IonicContact OE1-NE 3.25Å; E553-R557 PolarHBondContact OE1-NE 2.98Å; E553-R557 IonicContact OE1-NH2 3.92Å; E553-R557 PolarHBondContact OE1-NH2 3.5Å; R554-R557 PolarHBondContact O-N 3.35Å; R557-V559 VanDerWaalsContact C-N 3.33Å; R557-V559 PolarHBondContact O-N 2.85Å; R557-E560 PolarHBondContact O-N 3.34Å; R557-E561 WeakPolarHBondContact O-CB 3.26Å; R557-E561 PolarHBondContact O-N 3.49Å |
| 558 | L | 91.1 | Very high | 88 | Confident | 102 Ų | 102 | 115.2 Ų | 115.2 | 53% | 0.534 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 175.7 | -175.1 | 67.4 | 0 | 0 | 0 | 111.4 | R554 E555 L562 | R554-L558 WeakPolarHBondContact O-CB 3.27Å; R554-L558 PolarHBondContact O-N 3.22Å; E555-L558 PolarHBondContact O-N 3.49Å; L558-L562 HydrophobicContact CG-CD1 4.19Å; L558-L562 WeakPolarHBondContact O-CB 3.23Å; L558-L562 WeakPolarHBondContact O-CD1 3.39Å; L558-L562 VanDerWaalsContact O-CG 3.27Å; L558-L562 WeakPolarHBondContact O-CG 3.32Å; L558-L562 PolarHBondContact O-N 3.46Å |
| 559 | V | 91.8 | Very high | 86.7 | Confident | 96 Ų | 96 | 116.7 Ų | 116.7 | 58% | 0.582 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.7 | -38.4 | 172.8 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | E555 Q556 R557 K563 | E555-V559 WeakPolarHBondContact O-CG2 3.33Å; E555-V559 PolarHBondContact O-N 3.27Å; Q556-V559 PolarHBondContact O-N 3.09Å; R557-V559 VanDerWaalsContact C-N 3.33Å; R557-V559 PolarHBondContact O-N 2.85Å; V559-K563 VanDerWaalsContact O-CB 3.23Å; V559-K563 WeakPolarHBondContact O-CB 3.44Å; V559-K563 PolarHBondContact O-N 2.91Å |
| 560 | E | 91.6 | Very high | 85.7 | Confident | 134 Ų | 134 | 117.7 Ų | 117.7 | 63% | 0.626 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.2 | -42.6 | 174.9 | -176.4 | 169.3 | -137.7 | 0 | 0 | 112.3 | Q556 R557 K563 M564 | Q556-E560 WeakPolarHBondContact O-CB 3.44Å; Q556-E560 PolarHBondContact O-N 2.82Å; R557-E560 PolarHBondContact O-N 3.34Å; E560-K563 WeakPolarHBondContact O-CB 3.27Å; E560-K563 PolarHBondContact O-N 3.43Å; E560-M564 PolarHBondContact O-N 2.77Å |
| 561 | E | 91.6 | Very high | 83.6 | Confident | 105 Ų | 105 | 122.6 Ų | 122.6 | 49% | 0.491 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -71.1 | -38.9 | 177.2 | -174.5 | 162.2 | -163.8 | 0 | 0 | 112.3 | R557 K563 M564 Q565 | R557-E561 WeakPolarHBondContact O-CB 3.26Å; R557-E561 PolarHBondContact O-N 3.49Å; E561-K563 VanDerWaalsContact C-N 3.33Å; E561-K563 PolarHBondContact O-N 3.37Å; E561-M564 HydrophobicContact CG-CE 4.41Å; E561-M564 WeakPolarHBondContact O-CB 3.18Å; E561-M564 PolarHBondContact O-N 3.03Å; E561-Q565 WeakPolarHBondContact O-CG 3.39Å; E561-Q565 PolarHBondContact O-N 2.99Å |
| 562 | L | 90.8 | Very high | 81.6 | Confident | 87 Ų | 87 | 119.7 Ų | 119.7 | 46% | 0.455 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62 | -40.2 | 170 | -77.4 | 166.7 | 0 | 0 | 0 | 111.9 | L558 Q565 L566 | L558-L562 HydrophobicContact CG-CD1 4.19Å; L558-L562 WeakPolarHBondContact O-CB 3.23Å; L558-L562 WeakPolarHBondContact O-CD1 3.39Å; L558-L562 VanDerWaalsContact O-CG 3.27Å; L558-L562 WeakPolarHBondContact O-CG 3.32Å; L558-L562 PolarHBondContact O-N 3.46Å; L562-Q565 PolarHBondContact O-N 2.7Å; L562-L566 WeakPolarHBondContact O-CB 3.37Å; L562-L566 WeakPolarHBondContact O-CG 3.28Å; L562-L566 PolarHBondContact O-N 3.33Å |
| 563 | K | 88.8 | Confident | 79.3 | Confident | 140 Ų | 140 | 123.3 Ų | 123.3 | 61% | 0.609 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.6 | -40.8 | 173.1 | 179.2 | -172.7 | 172.2 | -167.6 | 0 | 111.3 | V559 E560 E561 L566 E567 | V559-K563 VanDerWaalsContact O-CB 3.23Å; V559-K563 WeakPolarHBondContact O-CB 3.44Å; V559-K563 PolarHBondContact O-N 2.91Å; E560-K563 WeakPolarHBondContact O-CB 3.27Å; E560-K563 PolarHBondContact O-N 3.43Å; E561-K563 VanDerWaalsContact C-N 3.33Å; E561-K563 PolarHBondContact O-N 3.37Å; K563-L566 PolarHBondContact O-N 3.2Å; K563-E567 WeakPolarHBondContact O-CB 3.32Å; K563-E567 PolarHBondContact O-N 3.27Å |
| 564 | M | 84.4 | Confident | 76.9 | Confident | 110 Ų | 110 | 122.7 Ų | 122.7 | 54% | 0.542 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.9 | -42.7 | 175.4 | -173.1 | -175.3 | 70 | 0 | 0 | 111.3 | E560 E561 E567 V568 | E560-M564 PolarHBondContact O-N 2.77Å; E561-M564 HydrophobicContact CG-CE 4.41Å; E561-M564 WeakPolarHBondContact O-CB 3.18Å; E561-M564 PolarHBondContact O-N 3.03Å; M564-E567 PolarHBondContact O-N 2.97Å; M564-V568 WeakPolarHBondContact O-CB 3.47Å; M564-V568 VanDerWaalsContact O-CG2 3.3Å; M564-V568 WeakPolarHBondContact O-CG2 3.47Å; M564-V568 PolarHBondContact O-N 3.45Å |
| 565 | Q | 81.2 | Confident | 74.2 | Confident | 104 Ų | 104 | 123.2 Ų | 123.2 | 49% | 0.486 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -60.9 | -44.9 | 175.2 | -72.1 | 172.1 | 11 | 0 | 0 | 111.4 | E561 L562 V568 E569 | E561-Q565 WeakPolarHBondContact O-CG 3.39Å; E561-Q565 PolarHBondContact O-N 2.99Å; L562-Q565 PolarHBondContact O-N 2.7Å; Q565-V568 PolarHBondContact O-N 2.63Å; Q565-E569 WeakPolarHBondContact O-CB 3.42Å; Q565-E569 PolarHBondContact O-N 3.41Å |
| 566 | L | 79.3 | Confident | 72.1 | Confident | 113 Ų | 113 | 123.1 Ų | 123.1 | 59% | 0.592 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.1 | -38.1 | 175.1 | -75.2 | 165.1 | 0 | 0 | 0 | 113.1 | L562 K563 K570 | L562-L566 WeakPolarHBondContact O-CB 3.37Å; L562-L566 WeakPolarHBondContact O-CG 3.28Å; L562-L566 PolarHBondContact O-N 3.33Å; K563-L566 PolarHBondContact O-N 3.2Å; L566-K570 WeakPolarHBondContact O-CB 3.42Å; L566-K570 PolarHBondContact O-N 2.96Å |
| 567 | E | 78.8 | Confident | 69.3 | Low | 94 Ų | 94 | 122.4 Ų | 122.4 | 44% | 0.439 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -70.2 | -34.8 | 175.7 | -161.6 | 77.8 | -110.3 | 0 | 0 | 111.7 | K563 M564 K570 R571 | K563-E567 WeakPolarHBondContact O-CB 3.32Å; K563-E567 PolarHBondContact O-N 3.27Å; M564-E567 PolarHBondContact O-N 2.97Å; E567-K570 WeakPolarHBondContact OE1-CD 3.47Å; E567-K570 IonicContact OE1-NZ 2.75Å; E567-K570 PolarHBondContact OE1-NZ 3.22Å; E567-R571 WeakPolarHBondContact O-CB 3.49Å; E567-R571 PolarHBondContact O-N 3.28Å |
| 568 | V | 72.3 | Confident | 66.4 | Low | 99 Ų | 99 | 122.3 Ų | 122.3 | 60% | 0.6 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.7 | -43.8 | 173.2 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | M564 Q565 R571 G572 | M564-V568 WeakPolarHBondContact O-CB 3.47Å; M564-V568 VanDerWaalsContact O-CG2 3.3Å; M564-V568 WeakPolarHBondContact O-CG2 3.47Å; M564-V568 PolarHBondContact O-N 3.45Å; Q565-V568 PolarHBondContact O-N 2.63Å; V568-R571 PolarHBondContact O-N 3.3Å; V568-G572 PolarHBondContact O-N 2.95Å; V568-G572 VanDerWaalsContact O-N 3.09Å |
| 569 | E | 64.3 | Low | 63.5 | Low | 148 Ų | 148 | 122.9 Ų | 122.9 | 69% | 0.692 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -62.2 | -46.7 | 175.1 | -173.6 | 174.7 | 174.7 | 0 | 0 | 111.3 | Q565 R571 G572 | Q565-E569 WeakPolarHBondContact O-CB 3.42Å; Q565-E569 PolarHBondContact O-N 3.41Å; E569-R571 VanDerWaalsContact C-N 3.26Å; E569-R571 PolarHBondContact O-N 3.33Å; E569-G572 WeakPolarHBondContact O-CA 3.39Å; E569-G572 PolarHBondContact O-N 2.93Å |
| 570 | K | 63.9 | Low | 60.6 | Low | 143 Ų | 143 | 123.6 Ų | 123.6 | 62% | 0.622 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -59.9 | -32.1 | 174.4 | 178.4 | -179.8 | 161.4 | -145.1 | 0 | 113.1 | L566 E567 G572 | L566-K570 WeakPolarHBondContact O-CB 3.42Å; L566-K570 PolarHBondContact O-N 2.96Å; E567-K570 WeakPolarHBondContact OE1-CD 3.47Å; E567-K570 IonicContact OE1-NZ 2.75Å; E567-K570 PolarHBondContact OE1-NZ 3.22Å; K570-G572 VanDerWaalsContact C-N 3.32Å |
| 571 | R | 49.2 | Very low | 57.7 | Low | 223 Ų | 223 | 121.2 Ų | 121.2 | 84% | 0.842 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -81.1 | -10.9 | 173.6 | -153.5 | 175.7 | -167.1 | -125.6 | 0.9 | 113.5 | E567 V568 E569 | E567-R571 WeakPolarHBondContact O-CB 3.49Å; E567-R571 PolarHBondContact O-N 3.28Å; V568-R571 PolarHBondContact O-N 3.3Å; E569-R571 VanDerWaalsContact C-N 3.26Å; E569-R571 PolarHBondContact O-N 3.33Å |
| 572 | G | 51 | Low | 54.7 | Low | 68 Ų | 68 | 121.1 Ų | 121.1 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -8.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V568 E569 K570 | V568-G572 PolarHBondContact O-N 2.95Å; V568-G572 VanDerWaalsContact O-N 3.09Å; E569-G572 WeakPolarHBondContact O-CA 3.39Å; E569-G572 PolarHBondContact O-N 2.93Å; K570-G572 VanDerWaalsContact C-N 3.32Å |
| 573 | Q | 44.4 | Very low | 51.7 | Low | 179 Ų | 179 | 124 Ų | 124 | 84% | 0.836 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -121.1 | 78.6 | -178.9 | -166.4 | -179.4 | 107.2 | 0 | 0 | 111.5 | ||
| 574 | A | 41.4 | Very low | 48.9 | Very low | 83 Ų | 83 | 125.6 Ų | 125.6 | 69% | 0.686 | 72% | 0.717 | S | S | * | * | trans | -141.5 | 150.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 575 | D | 32.8 | Very low | 46.3 | Very low | 159 Ų | 159 | 127.1 Ų | 127.1 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | trans | 87.1 | 141.7 | 178.2 | -68.7 | -18.7 | 0 | 0 | 0 | 118.5 | ||||
| 576 | P | 45.5 | Very low | 43.8 | Very low | 109 Ų | 109 | 130 Ų | 130 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | cis | -144.6 | -167.4 | -24.1 | 37.1 | -16.5 | 0 | 0 | 0 | 115.2 | ||||
| 577 | V | 29.7 | Very low | 41.4 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | trans | 95.3 | 94.9 | 153.3 | 172.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 578 | L | 31.6 | Very low | 39.6 | Very low | 153 Ų | 153 | 129 Ų | 129 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | 61.4 | 126.1 | 128.4 | -55 | -178.9 | 0 | 0 | 0 | 122.8 | |||||
| 579 | S | 29.6 | Very low | 37.5 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -83.9 | 144 | 146.2 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 580 | S | 30.6 | Very low | 35.9 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -159.2 | 118.3 | 163.9 | -80.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 581 | G | 30.1 | Very low | 34.2 | Very low | 84 Ų | 84 | 129 Ų | 129 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | trans | -89.6 | 135 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 582 | A | 28.3 | Very low | 33.1 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | -137.5 | 157.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 583 | V | 28.4 | Very low | 31.8 | Very low | 147 Ų | 147 | 125.2 Ų | 125.2 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | trans | -106.1 | 150.5 | -166.3 | -169.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 584 | K | 29.3 | Very low | 31.1 | Very low | 174 Ų | 174 | 121.9 Ų | 121.9 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | trans | 121.3 | 136.5 | 135.4 | -168.2 | 170.6 | 175.9 | -175.6 | 0 | 118.2 | ||||
| 585 | M | 29.8 | Very low | 30.7 | Very low | 141 Ų | 141 | 124 Ų | 124 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | 70.2 | 132.2 | 158.2 | -84.6 | 177.5 | 69.7 | 0 | 0 | 121.2 | ||||
| 586 | E | 28.7 | Very low | 30.5 | Very low | 164 Ų | 164 | 120 Ų | 120 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | 44.3 | 140.7 | 134.6 | -49.3 | -55.1 | 101.7 | 0 | 0 | 121.7 | ||||
| 587 | G | 28.8 | Very low | 29.7 | Very low | 70 Ų | 70 | 121.3 Ų | 121.3 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | -78.7 | -161 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 588 | P | 41.3 | Very low | 29.9 | Very low | 117 Ų | 117 | 120.3 Ų | 120.3 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | cis | -144.5 | 154.7 | 28.2 | 40.8 | -21.2 | 0 | 0 | 0 | 119.1 | ||||
| 589 | V | 28.7 | Very low | 29.7 | Very low | 129 Ų | 129 | 119.3 Ų | 119.3 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | trans | 70.2 | 153 | 137.8 | 174 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 590 | L | 30.2 | Very low | 29.7 | Very low | 153 Ų | 153 | 121.6 Ų | 121.6 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | trans | 80.3 | 133.8 | -176.1 | -48.3 | -174.3 | 0 | 0 | 0 | 115 | ||||
| 591 | S | 28.7 | Very low | 29.4 | Very low | 108 Ų | 108 | 121.7 Ų | 121.7 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | cis | 78.3 | 127.7 | 30 | -159.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 592 | S | 26.3 | Very low | 30.2 | Very low | 107 Ų | 107 | 123 Ų | 123 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | cis | -151.2 | -164.2 | 0.7 | -161.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 593 | C | 24.3 | Very low | 30.1 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | trans | -62.2 | 133.4 | -173.3 | 52.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 594 | S | 29.1 | Very low | 30 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | 49.4 | 141.2 | 123.5 | -46.1 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 595 | S | 32.8 | Very low | 30 | Very low | 129 Ų | 129 | 122.6 Ų | 122.6 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | 91.1 | 131.9 | 146.9 | -57 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 596 | G | 28.1 | Very low | 30 | Very low | 73 Ų | 73 | 123.9 Ų | 123.9 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | 172.7 | 44.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 597 | T | 29.6 | Very low | 30.3 | Very low | 137 Ų | 137 | 122.2 Ų | 122.2 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | 18.8 | 112.3 | 146 | 53.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 598 | A | 33.9 | Very low | 30.3 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | 45 | 132.3 | 133.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 599 | V | 26.1 | Very low | 29.6 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | trans | -163.1 | 132.6 | 142.2 | 124 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 600 | L | 30.3 | Very low | 29.8 | Very low | 163 Ų | 163 | 126.7 Ų | 126.7 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | 51.8 | 140.7 | 154.6 | -57.3 | 174.4 | 0 | 0 | 0 | 124.4 | ||||
| 601 | S | 24.9 | Very low | 29.8 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -86.9 | -169.9 | 161.5 | -32 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 602 | P | 46.4 | Very low | 29.8 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | cis | -149.4 | -176.4 | 20.6 | 38.4 | -13.7 | 0 | 0 | 0 | 119.8 | ||||
| 603 | Q | 26.9 | Very low | 30 | Very low | 174 Ų | 174 | 126.2 Ų | 126.2 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | 106.7 | 133.2 | 127 | -122.1 | -168.5 | -9.5 | 0 | 0 | 123.4 | |||||
| 604 | V | 26.8 | Very low | 30.2 | Very low | 114 Ų | 114 | 125.1 Ų | 125.1 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | trans | 62.7 | 141.4 | 163.6 | -131.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 605 | V | 28.1 | Very low | 30 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | cis | -144.3 | 121 | 27.5 | -167.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 606 | K | 29.5 | Very low | 30.1 | Very low | 169 Ų | 169 | 135 Ų | 135 | 74% | 0.735 | 77% | 0.77 | S | S | * | * | 68.7 | 129.8 | 76.2 | -168.7 | -165.3 | 177 | -164.8 | 0 | 114.3 | |||||
| 607 | L | 34.8 | Very low | 30.9 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | cis | -109.6 | -107.9 | -10.1 | -162.3 | 65.6 | 0 | 0 | 0 | 109.5 | ||||
| 608 | E | 29.1 | Very low | 30.7 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | cis | -150.7 | 157.7 | -36.8 | 31.1 | -96.8 | 112.3 | 0 | 0 | 106.3 | ||||
| 609 | D | 26.9 | Very low | 30.4 | Very low | 144 Ų | 144 | 139.8 Ų | 139.8 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | cis | -145.7 | 166.2 | 6.1 | -170.5 | 25.7 | 0 | 0 | 0 | 112.1 | ||||
| 610 | V | 32.8 | Very low | 30.6 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 66% | 0.661 | 76% | 0.756 | S | S | * | * | trans | 57.7 | 107.4 | 156 | 154.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 611 | T | 29.6 | Very low | 30.5 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | 60.5 | 107 | 128 | -46.3 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 612 | V | 29.6 | Very low | 31 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | 65.2 | 134.1 | 72.6 | 171.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 613 | S | 29.7 | Very low | 30.2 | Very low | 109 Ų | 109 | 145.7 Ų | 145.7 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | cis | -166.6 | 161.8 | -16 | -180 | 0 | 0 | 0 | 0 | 111 | ||||
| 614 | A | 29.6 | Very low | 30.5 | Very low | 82 Ų | 82 | 142.3 Ų | 142.3 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | -20.5 | 138.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 615 | R | 25.1 | Very low | 31 | Very low | 247 Ų | 247 | 144.5 Ų | 144.5 | 93% | 0.932 | 76% | 0.759 | S | S | * | * | 163.6 | 153.4 | 120.1 | -89.9 | 174.5 | 175.9 | -169.1 | -0.4 | 112.8 | |||||
| 616 | K | 33.9 | Very low | 31.4 | Very low | 198 Ų | 198 | 144.7 Ų | 144.7 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | trans | -57.4 | 163.3 | 161.9 | -52.1 | 171.7 | -178.9 | -180 | 0 | 109.9 | ||||
| 617 | P | 45.9 | Very low | 31.8 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 69% | 0.688 | 76% | 0.759 | S | S | * | * | cis | -154 | -163.5 | 30.7 | 43.1 | -20.5 | 0 | 0 | 0 | 117 | ||||
| 618 | L | 25.3 | Very low | 31.8 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | trans | 66.4 | 164.7 | 152 | -80.2 | 171.2 | 0 | 0 | 0 | 117 | ||||
| 619 | Q | 26.5 | Very low | 32 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | cis | -152.3 | 179.4 | -8 | -159.8 | 152.8 | -16.4 | 0 | 0 | 111 | ||||
| 620 | L | 30.7 | Very low | 32.5 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | -34.5 | 150.6 | 170.5 | -77.4 | 72.6 | 0 | 0 | 0 | 117.6 | ||||
| 621 | Q | 29.2 | Very low | 32.6 | Very low | 194 Ų | 194 | 144 Ų | 144 | 91% | 0.907 | 76% | 0.757 | S | S | * | * | -161.3 | 179.3 | 112.1 | -110.6 | 176.5 | 7.6 | 0 | 0 | 115.2 | |||||
| 622 | T | 34.1 | Very low | 32.8 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -136.3 | -166.2 | -170.5 | -57.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 623 | Q | 30.5 | Very low | 32.8 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | trans | 82.3 | 140.8 | 177.6 | -113.3 | 160.1 | 71.6 | 0 | 0 | 113.3 | ||||
| 624 | T | 34 | Very low | 32.7 | Very low | 104 Ų | 104 | 148.3 Ų | 148.3 | 64% | 0.638 | 76% | 0.759 | S | S | * | * | cis | -161.1 | 164.1 | -0.6 | -146 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 625 | Q | 36.6 | Very low | 32.5 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | 18.2 | 163 | 142.3 | -66.9 | -167.4 | 53.2 | 0 | 0 | 123 | ||||
| 626 | I | 35.6 | Very low | 33.4 | Very low | 130 Ų | 130 | 142 Ų | 142 | 67% | 0.667 | 76% | 0.756 | S | S | * | * | cis | 173.4 | 167.4 | -27.4 | -104.5 | 171.4 | 0 | 0 | 0 | 106.4 | ||||
| 627 | I | 38.6 | Very low | 33.3 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | trans | 75.7 | 151.3 | 164.7 | -88.3 | 158.9 | 0 | 0 | 0 | 118.4 | ||||
| 628 | A | 35 | Very low | 33 | Very low | 71 Ų | 71 | 139.6 Ų | 139.6 | 59% | 0.587 | 76% | 0.758 | S | S | * | * | cis | -176.3 | 172.3 | -38.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 629 | Q | 32.1 | Very low | 33.2 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | 69.1 | 160.4 | 153 | -74.1 | -164.4 | 19.5 | 0 | 0 | 119.5 | ||||
| 630 | I | 38.7 | Very low | 34 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | cis | -165.6 | 173.8 | -34.7 | -126.4 | 172.7 | 0 | 0 | 0 | 109.1 | ||||
| 631 | Q | 34.2 | Very low | 33.7 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | 94.6 | 87.9 | 154.9 | -147.8 | 65.5 | -4.2 | 0 | 0 | 124 | ||||
| 632 | N | 33.5 | Very low | 33.6 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | 54 | 129.9 | 107.9 | -156.6 | 5.9 | 0 | 0 | 0 | 124.1 | |||||
| 633 | R | 29.1 | Very low | 33.5 | Very low | 226 Ų | 226 | 135.5 Ų | 135.5 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | 115.2 | 131.7 | 128.9 | -145 | -173.5 | -179.9 | -159.8 | -0.5 | 121.4 | |||||
| 634 | A | 28.3 | Very low | 34.1 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | trans | 79.2 | 139.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 635 | G | 26 | Very low | 34 | Very low | 71 Ų | 71 | 132.8 Ų | 132.8 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | trans | -110.3 | -151 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 636 | P | 44.7 | Very low | 34.1 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | cis | -139.6 | -160.7 | 18.8 | 43.5 | -22.9 | 0 | 0 | 0 | 116.7 | ||||
| 637 | T | 30.9 | Very low | 34.9 | Very low | 127 Ų | 127 | 130 Ų | 130 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -38.9 | 162.3 | 173.6 | 38.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 638 | P | 39.6 | Very low | 34.4 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | cis | -149.6 | -164.5 | 45.8 | 43.5 | -20.9 | 0 | 0 | 0 | 119.7 | ||||
| 639 | S | 29.6 | Very low | 34.6 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -84.9 | -175.1 | -177.7 | 57.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 640 | P | 42.2 | Very low | 34.7 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | cis | -155.3 | -175.2 | 24.4 | 47.2 | -24.6 | 0 | 0 | 0 | 121.3 | ||||
| 641 | Q | 26 | Very low | 34.2 | Very low | 194 Ų | 194 | 130.8 Ų | 130.8 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | trans | 64.9 | 132.6 | 139.6 | -169.9 | 172.9 | 2.6 | 0 | 0 | 124.8 | ||||
| 642 | G | 26.9 | Very low | 34.1 | Very low | 77 Ų | 77 | 130.6 Ų | 130.6 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | 168.5 | 145.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 643 | Q | 31 | Very low | 33.8 | Very low | 193 Ų | 193 | 132.9 Ų | 132.9 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -141.1 | 165.6 | 173.7 | -102.9 | -172.6 | -15.3 | 0 | 0 | 108.9 | ||||
| 644 | P | 43.8 | Very low | 33.9 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | -149 | -137.1 | 51.5 | 41 | -15.5 | 0 | 0 | 0 | 116.3 | |||||
| 645 | A | 31.7 | Very low | 33.7 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -150.9 | 162.7 | -154.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 646 | A | 37.8 | Very low | 34.1 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | 64.8 | 178.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 647 | P | 54.3 | Low | 34.1 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | cis | -135.6 | -167.5 | -10.6 | 43.4 | -25.1 | 0 | 0 | 0 | 115.9 | ||||
| 648 | G | 28 | Very low | 34 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | 176.6 | 151.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 649 | L | 37.9 | Very low | 33.4 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | -155.8 | 169.6 | -173.1 | -79.3 | 175.5 | 0 | 0 | 0 | 116.4 | ||||
| 650 | Q | 34 | Very low | 33.3 | Very low | 134 Ų | 134 | 132.2 Ų | 132.2 | 63% | 0.626 | 79% | 0.793 | S | S | * | * | trans | 90.4 | 136.8 | 156.9 | -62.6 | -69.1 | 29.3 | 0 | 0 | 123.6 | F652 | Q650-F652 HydrophobicContact CB-CE2 4.49Š| ||
| 651 | Q | 28.1 | Very low | 32.5 | Very low | 185 Ų | 185 | 135.2 Ų | 135.2 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -170.7 | 168.7 | 141.7 | -111.2 | 170.5 | 92.9 | 0 | 0 | 113.4 | ||||
| 652 | F | 32 | Very low | 32.6 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 64% | 0.64 | 79% | 0.791 | S | S | * | * | trans | -135.7 | -168.3 | -167.1 | -54.1 | -91.9 | 0 | 0 | 0 | 112.1 | Q650 | Q650-F652 HydrophobicContact CB-CE2 4.49Š| ||
| 653 | F | 28.5 | Very low | 32.4 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | cis | -168.7 | 169.7 | 11.8 | -133.6 | -27 | 0 | 0 | 0 | 111.4 | ||||
| 654 | I | 31.3 | Very low | 33.3 | Very low | 153 Ų | 153 | 129.6 Ų | 129.6 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | 70.1 | 152.2 | 155.5 | -70.6 | 166.4 | 0 | 0 | 0 | 116 | ||||
| 655 | S | 24.3 | Very low | 32.5 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | cis | -142.6 | -172.7 | 3.6 | -153.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 656 | H | 33 | Very low | 32.3 | Very low | 178 Ų | 178 | 132.6 Ų | 132.6 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | -135.6 | 171.2 | 168.1 | -49.9 | 2.8 | 0 | 0 | 0 | 110.2 | ||||
| 657 | P | 45 | Very low | 31.7 | Very low | 122 Ų | 122 | 135 Ų | 135 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | -157 | 157.5 | 72.1 | 41.1 | -19 | 0 | 0 | 0 | 120.8 | |||||
| 658 | A | 28.1 | Very low | 30.4 | Very low | 109 Ų | 109 | 136 Ų | 136 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | trans | 36.9 | 145.7 | 141.4 | 0 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 659 | G | 27.7 | Very low | 30.3 | Very low | 69 Ų | 69 | 138.7 Ų | 138.7 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | 151 | 75.3 | 132.2 | 0 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 660 | V | 27.1 | Very low | 29.8 | Very low | 137 Ų | 137 | 135 Ų | 135 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | 65.7 | 144 | 129.4 | 176.6 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 661 | L | 27.1 | Very low | 29.4 | Very low | 172 Ų | 172 | 133.6 Ų | 133.6 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | trans | 67.1 | 144.1 | 164.3 | -80.6 | 162.6 | 0 | 0 | 0 | 120.4 | ||||
| 662 | G | 26.1 | Very low | 29.4 | Very low | 65 Ų | 65 | 128.4 Ų | 128.4 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | cis | 159.8 | 109.2 | -19.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 663 | Q | 24.3 | Very low | 29.3 | Very low | 192 Ų | 192 | 130 Ų | 130 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | 57.9 | 177.5 | 155.8 | -104.1 | -157.1 | -2.5 | 0 | 0 | 120 | ||||
| 664 | P | 50.3 | Low | 29.3 | Very low | 89 Ų | 89 | 128 Ų | 128 | 58% | 0.578 | 79% | 0.787 | S | S | * | * | cis | -137 | -174.2 | -13.4 | 26.6 | -1.6 | 0 | 0 | 0 | 117.1 | ||||
| 665 | Q | 27 | Very low | 29.2 | Very low | 177 Ų | 177 | 126.5 Ų | 126.5 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | 94.8 | 153.1 | 151.7 | -51.1 | -159.6 | 15.1 | 0 | 0 | 121.6 | ||||
| 666 | T | 26.4 | Very low | 29.4 | Very low | 113 Ų | 113 | 127 Ų | 127 | 69% | 0.693 | 78% | 0.784 | S | S | * | * | 176.7 | 133.8 | -53.5 | -91.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 667 | L | 25.9 | Very low | 29.2 | Very low | 148 Ų | 148 | 126.1 Ų | 126.1 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | 60.6 | 149.4 | 170.6 | -62.8 | 164.5 | 0 | 0 | 0 | 117.7 | ||||
| 668 | L | 26.8 | Very low | 28.6 | Very low | 154 Ų | 154 | 127.8 Ų | 127.8 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | cis | 95.4 | 152.8 | 21.2 | -83.6 | 163.9 | 0 | 0 | 0 | 117.5 | ||||
| 669 | T | 25.9 | Very low | 28.5 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | trans | 100.4 | 105 | 179 | -43.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 670 | A | 26.3 | Very low | 29.1 | Very low | 94 Ų | 94 | 134.9 Ų | 134.9 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | cis | 88.4 | 124 | 33 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 671 | A | 26.1 | Very low | 29.6 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -166.7 | 144.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 672 | G | 28.8 | Very low | 29.9 | Very low | 77 Ų | 77 | 131.1 Ų | 131.1 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | 71.3 | 107.2 | 129 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 673 | Q | 29.8 | Very low | 30 | Very low | 180 Ų | 180 | 133.2 Ų | 133.2 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | trans | -76.3 | 150.2 | 145.9 | -63.4 | 176 | -12.2 | 0 | 0 | 109.5 | ||||
| 674 | T | 28.8 | Very low | 30.2 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | 159.6 | 152.2 | 113.7 | 43.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 675 | T | 29 | Very low | 29.7 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 75 | 102.9 | 156 | -126.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 676 | T | 27.9 | Very low | 29.6 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | 62.5 | 96.5 | 118.5 | -44.8 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 677 | Q | 28.6 | Very low | 29.8 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | S | Bend | -161.6 | 161.2 | 96.7 | -96.8 | -55.3 | -4.5 | 0 | 0 | 111.9 | |||
| 678 | I | 32.2 | Very low | 30 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | 56.3 | 83.7 | 176 | -46.8 | 175.2 | 0 | 0 | 0 | 114.5 | ||||
| 679 | F | 25.8 | Very low | 30.1 | Very low | 200 Ų | 200 | 125.7 Ų | 125.7 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -106.9 | 134.6 | 166.7 | -115.9 | -87.9 | 0 | 0 | 0 | 111.8 | ||||
| 680 | V | 41.9 | Very low | 30.3 | Very low | 127 Ų | 127 | 127.1 Ų | 127.1 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -90.5 | 134.4 | 165.1 | 175 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 681 | P | 36 | Very low | 30.3 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | trans | -130.1 | 119 | 156.9 | 31.5 | -15.2 | 0 | 0 | 0 | 113.6 | ||||
| 682 | V | 34.6 | Very low | 30.5 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 76% | 0.758 | 78% | 0.781 | S | S | * | * | 45.5 | 132.8 | 119.6 | 174.7 | 0 | 0 | 0 | 0 | 120 | |||||
| 683 | S | 28.1 | Very low | 30.7 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | 74.9 | 132.2 | 164.4 | -66.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 684 | L | 28.2 | Very low | 30.8 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | -131.5 | 137.6 | 155.4 | -128.9 | 78.4 | 0 | 0 | 0 | 108.8 | ||||
| 685 | P | 39 | Very low | 31 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -98.3 | -151.3 | -174.6 | 40.8 | -37.6 | 0 | 0 | 0 | 112.6 | ||||
| 686 | N | 26 | Very low | 31 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | trans | -126 | 148.6 | -171.4 | 171 | 76.7 | 0 | 0 | 0 | 111.4 | ||||
| 687 | S | 30.9 | Very low | 31 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | 62.8 | 151.4 | 172.1 | -64.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 688 | G | 29.3 | Very low | 31 | Very low | 81 Ų | 81 | 125.7 Ų | 125.7 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | 135.4 | 118.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 689 | A | 28.5 | Very low | 31 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -89.6 | 157.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 690 | I | 30 | Very low | 31 | Very low | 157 Ų | 157 | 121 Ų | 121 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | trans | -170.9 | 111.9 | 147.7 | -100 | 150.2 | 0 | 0 | 0 | 106.2 | ||||
| 691 | Q | 26.7 | Very low | 30.4 | Very low | 173 Ų | 173 | 122.8 Ų | 122.8 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | 89.7 | 144.6 | 78.3 | -142.1 | 178.9 | 109.1 | 0 | 0 | 112.8 | |||||
| 692 | L | 31 | Very low | 29.8 | Very low | 137 Ų | 137 | 126.1 Ų | 126.1 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | trans | -78.1 | 168.6 | -166.5 | -68.8 | 71.4 | 0 | 0 | 0 | 112.7 | N694 | L692-N694 HydrophobicContact CD2-CB 4.04Š| ||
| 693 | P | 33 | Very low | 30.5 | Very low | 131 Ų | 131 | 124.9 Ų | 124.9 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | -109.8 | 136.7 | 114.1 | -13.9 | 30.6 | 0 | 0 | 0 | 112.4 | |||||
| 694 | N | 31.9 | Very low | 30.3 | Very low | 143 Ų | 143 | 125.7 Ų | 125.7 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | -116.1 | 122.6 | 173.9 | -173.7 | 26 | 0 | 0 | 0 | 109.9 | L692 | L692-N694 HydrophobicContact CD2-CB 4.04Š| ||
| 695 | S | 32.5 | Very low | 30.3 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -161.7 | 133.4 | 172.1 | 48.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 696 | G | 29.2 | Very low | 29.8 | Very low | 77 Ų | 77 | 123.7 Ų | 123.7 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | cis | 167.8 | 137.4 | -10.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 697 | G | 28.6 | Very low | 29.8 | Very low | 73 Ų | 73 | 122.3 Ų | 122.3 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | 102.4 | 114 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 698 | A | 27 | Very low | 29.9 | Very low | 98 Ų | 98 | 122.6 Ų | 122.6 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | 71.3 | 133.7 | 67.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 699 | I | 32.4 | Very low | 29.7 | Very low | 155 Ų | 155 | 123.7 Ų | 123.7 | 80% | 0.795 | 78% | 0.776 | S | S | * | * | cis | -147 | 130.3 | 44.4 | -62.2 | 126.4 | 0 | 0 | 0 | 107.7 | ||||
| 700 | S | 27.3 | Very low | 29.8 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | 63.9 | 146.9 | 82.6 | -149.3 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 701 | L | 27.4 | Very low | 29.6 | Very low | 164 Ų | 164 | 121.2 Ų | 121.2 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | trans | 90.5 | 130.3 | 166.7 | -53.6 | -176.4 | 0 | 0 | 0 | 121.8 | ||||
| 702 | Q | 23.9 | Very low | 30.4 | Very low | 175 Ų | 175 | 119.4 Ų | 119.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -89.8 | -167.7 | 163.4 | -76.6 | -100.6 | 14.8 | 0 | 0 | 109.9 | ||||
| 703 | P | 49.4 | Very low | 30.2 | Very low | 99 Ų | 99 | 116 Ų | 116 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | cis | -131.8 | -146.8 | -21.5 | 22.6 | 4.7 | 0 | 0 | 0 | 111.5 | ||||
| 704 | V | 23.9 | Very low | 30 | Very low | 125 Ų | 125 | 117.5 Ų | 117.5 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | trans | 79.1 | 134.8 | 150.9 | 165.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 705 | L | 29.1 | Very low | 29.8 | Very low | 154 Ų | 154 | 116.2 Ų | 116.2 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | cis | -140.9 | -139.1 | -12.9 | -115.5 | 175.9 | 0 | 0 | 0 | 110 | ||||
| 706 | S | 26.7 | Very low | 29.6 | Very low | 110 Ų | 110 | 119.1 Ų | 119.1 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | cis | -160.6 | -179.6 | 14.1 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 707 | A | 26.6 | Very low | 29.4 | Very low | 89 Ų | 89 | 122.5 Ų | 122.5 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -117.5 | 175.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 708 | P | 33.8 | Very low | 30.1 | Very low | 119 Ų | 119 | 124.4 Ų | 124.4 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | -131 | 156.3 | 68.6 | 15.9 | 8.4 | 0 | 0 | 0 | 113.1 | |||||
| 709 | S | 25 | Very low | 30 | Very low | 103 Ų | 103 | 127.2 Ų | 127.2 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | cis | 83.2 | 98 | 41.7 | 88.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 710 | S | 30.4 | Very low | 30.4 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 92% | 0.923 | 77% | 0.768 | S | S | * | * | trans | -172.7 | 146.3 | 146.9 | -80.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 711 | G | 25.9 | Very low | 30.2 | Very low | 71 Ų | 71 | 126.9 Ų | 126.9 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | -125.2 | -142.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 712 | P | 44 | Very low | 30.1 | Very low | 135 Ų | 135 | 125.2 Ų | 125.2 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | cis | -140.1 | -173.7 | -8.4 | 43.1 | -25.4 | 0 | 0 | 0 | 115 | ||||
| 713 | G | 26.6 | Very low | 30 | Very low | 65 Ų | 65 | 124.6 Ų | 124.6 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | trans | 132.7 | 112 | 161.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 714 | L | 28.1 | Very low | 28.9 | Very low | 164 Ų | 164 | 125.3 Ų | 125.3 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | 71.6 | 131.1 | 52.7 | -62.2 | 167.6 | 0 | 0 | 0 | 113 | |||||
| 715 | V | 28.8 | Very low | 28.9 | Very low | 116 Ų | 116 | 124 Ų | 124 | 70% | 0.703 | 77% | 0.767 | S | S | * | * | cis | -150.2 | 162.9 | 12.6 | -130.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 716 | Q | 28.3 | Very low | 28.6 | Very low | 175 Ų | 175 | 123.6 Ų | 123.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 76.2 | 114.5 | 145.5 | -80 | 177.7 | 128.1 | 0 | 0 | 124.1 | ||||
| 717 | N | 25.1 | Very low | 28.6 | Very low | 147 Ų | 147 | 125.3 Ų | 125.3 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | 0.6 | 164.4 | 115.5 | -80.5 | 42.2 | 0 | 0 | 0 | 120.8 | |||||
| 718 | P | 42.5 | Very low | 28.4 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 74% | 0.74 | 76% | 0.76 | S | S | * | * | cis | -137.8 | -172.5 | -1.4 | 31.5 | -7.4 | 0 | 0 | 0 | 116.8 | ||||
| 719 | L | 24.3 | Very low | 28 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | trans | -37.7 | 171.8 | 147.1 | -118.4 | 64.7 | 0 | 0 | 0 | 115 | ||||
| 720 | P | 41.4 | Very low | 28 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 60% | 0.597 | 76% | 0.756 | S | S | * | * | cis | -145.9 | -168.8 | 6.5 | 35.3 | -10.7 | 0 | 0 | 0 | 117.8 | ||||
| 721 | Q | 23.4 | Very low | 27.7 | Very low | 159 Ų | 159 | 126 Ų | 126 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | 89.4 | 123.7 | 133.3 | -103.1 | 173.6 | -113.5 | 0 | 0 | 124.7 | ||||
| 722 | L | 23.8 | Very low | 27.5 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 68% | 0.681 | 75% | 0.751 | S | S | * | * | 72.1 | 137.7 | 127.5 | -98.9 | 173 | 0 | 0 | 0 | 124.6 | |||||
| 723 | Q | 23.7 | Very low | 26.7 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | trans | 84.8 | 114.1 | 140.1 | -112.4 | 158.3 | 15.7 | 0 | 0 | 123.2 | ||||
| 724 | S | 25.5 | Very low | 26.7 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | 19.2 | 162.3 | 130.7 | -47 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 725 | A | 23.7 | Very low | 26.7 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 79% | 0.793 | 74% | 0.739 | S | S | * | * | trans | 87.5 | 129.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 726 | N | 23.9 | Very low | 27.3 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | cis | 91.2 | 144.8 | 21.4 | -161.9 | 24 | 0 | 0 | 0 | 115.2 | ||||
| 727 | M | 24.8 | Very low | 27.3 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 72% | 0.719 | 74% | 0.738 | S | S | * | * | trans | 68.8 | 151.8 | 177 | -62.5 | -174.8 | 82.2 | 0 | 0 | 115.6 | ||||
| 728 | E | 22.8 | Very low | 27.4 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | cis | -168.6 | 173.8 | -22.9 | -167.3 | -172.6 | 92.7 | 0 | 0 | 106.5 | ||||
| 729 | V | 26 | Very low | 26.6 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | 170.6 | 106.9 | 124.3 | 155.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 730 | S | 24.1 | Very low | 26.5 | Very low | 93 Ų | 93 | 128.5 Ų | 128.5 | 65% | 0.65 | 73% | 0.727 | S | S | * | * | trans | 62.7 | 136.8 | 139.1 | -55.2 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 731 | A | 24.4 | Very low | 25.8 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 79% | 0.793 | 74% | 0.736 | S | S | * | * | trans | 87.5 | 145.9 | 130.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 732 | N | 22.5 | Very low | 25.9 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | cis | -165.3 | 156.8 | -32.4 | -149 | -5.4 | 0 | 0 | 0 | 112.1 | ||||
| 733 | Q | 27.2 | Very low | 25.9 | Very low | 137 Ų | 137 | 131 Ų | 131 | 64% | 0.64 | 74% | 0.744 | S | S | * | * | trans | 67.4 | 120.3 | 153.1 | -57.4 | -134.8 | 101.1 | 0 | 0 | 123.5 | ||||
| 734 | Q | 27.2 | Very low | 26 | Very low | 166 Ų | 166 | 128.4 Ų | 128.4 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | 81.9 | 140.1 | 129.2 | -65.8 | 176.2 | 13.3 | 0 | 0 | 122.2 | |||||
| 735 | A | 27.2 | Very low | 26 | Very low | 91 Ų | 91 | 128.2 Ų | 128.2 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | trans | -111 | -172 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 736 | P | 42.3 | Very low | 26.5 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | -162.3 | -170.3 | 63.6 | 44.9 | -21.5 | 0 | 0 | 0 | 118.7 | |||||
| 737 | L | 27.9 | Very low | 26.9 | Very low | 146 Ų | 146 | 127 Ų | 127 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | trans | 79.3 | 120.8 | 150.9 | -67.3 | -178.9 | 0 | 0 | 0 | 124.2 | ||||
| 738 | L | 26.7 | Very low | 27 | Very low | 129 Ų | 129 | 122.6 Ų | 122.6 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | 83.1 | 111.2 | 129.3 | -64.3 | 171.9 | 0 | 0 | 0 | 124.9 | |||||
| 739 | Q | 25.9 | Very low | 27.2 | Very low | 162 Ų | 162 | 119.6 Ų | 119.6 | 76% | 0.757 | 72% | 0.722 | S | S | * | * | 67.7 | 121.1 | 119.2 | -77 | -167.7 | 34 | 0 | 0 | 125.5 | |||||
| 740 | T | 23 | Very low | 27.2 | Very low | 110 Ų | 110 | 120.3 Ų | 120.3 | 68% | 0.675 | 72% | 0.721 | S | S | * | * | 90.3 | 153.9 | 121.9 | -58.1 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 741 | L | 25.8 | Very low | 27.3 | Very low | 151 Ų | 151 | 117.5 Ų | 117.5 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | trans | 83.5 | 127.6 | -178.9 | -51.7 | -178.6 | 0 | 0 | 0 | 115.8 | ||||
| 742 | T | 25.8 | Very low | 27.4 | Very low | 119 Ų | 119 | 117.2 Ų | 117.2 | 73% | 0.73 | 69% | 0.692 | S | S | * | * | cis | 85.8 | 111.7 | 15.2 | -46 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 743 | L | 24.8 | Very low | 27.6 | Very low | 163 Ų | 163 | 116.6 Ų | 116.6 | 85% | 0.853 | 69% | 0.685 | S | S | * | * | -173.8 | 161.1 | 113.7 | -155.5 | 61.5 | 0 | 0 | 0 | 112.2 | |||||
| 744 | C | 25.3 | Very low | 27.5 | Very low | 108 Ų | 108 | 117.5 Ų | 117.5 | 73% | 0.73 | 69% | 0.694 | S | S | * | * | trans | -106.3 | -173.3 | 170.7 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 745 | S | 25.3 | Very low | 27.4 | Very low | 110 Ų | 110 | 120.1 Ų | 120.1 | 77% | 0.769 | 70% | 0.697 | S | S | * | * | trans | 105 | 129.8 | 144.5 | -55 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 746 | S | 34.5 | Very low | 27.4 | Very low | 103 Ų | 103 | 120.3 Ų | 120.3 | 72% | 0.72 | 69% | 0.693 | S | S | * | * | trans | -109.7 | 130.9 | 161.4 | -56.8 | 0 | 0 | 0 | 0 | 110.3 | S475 | S475-S746 PolarHBondContact OG-O 3.24Š| ||
| 747 | P | 32 | Very low | 26.4 | Very low | 116 Ų | 116 | 123 Ų | 123 | 75% | 0.753 | 70% | 0.695 | S | S | * | * | trans | -101.9 | 136.2 | 170.4 | 35.7 | -29.5 | 0 | 0 | 0 | 112.4 | ||||
| 748 | A | 26.4 | Very low | 26.2 | Very low | 52 Ų | 52 | 120.3 Ų | 120.3 | 43% | 0.43 | 69% | 0.689 | S | S | . | * | trans | -82.3 | 142.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | V473 | V473-A748 HydrophobicContact CG2-CB 3.64Š| ||
| 749 | A | 26.2 | Very low | 26.2 | Very low | 80 Ų | 80 | 119.4 Ų | 119.4 | 66% | 0.661 | 69% | 0.694 | S | S | * | * | trans | -174 | 145.1 | 151.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 750 | L | 26.6 | Very low | 26.4 | Very low | 139 Ų | 139 | 117.4 Ų | 117.4 | 73% | 0.728 | 69% | 0.694 | S | S | * | * | cis | -163.7 | 159.9 | -5 | -120.8 | 171.2 | 0 | 0 | 0 | 108.2 | ||||
| 751 | G | 27 | Very low | 26.5 | Very low | 35 Ų | 35 | 119 Ų | 119 | 36% | 0.361 | 69% | 0.694 | S | S | . | * | trans | -87 | 179.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 752 | N | 25.3 | Very low | 26.5 | Very low | 89 Ų | 89 | 120.7 Ų | 120.7 | 48% | 0.476 | 69% | 0.69 | S | S | . | * | cis | -162.6 | 156.9 | 2.8 | -78.2 | -58.9 | 0 | 0 | 0 | 111.6 | P470 M471 | P470-N752 WeakPolarHBondContact CB-OD1 3.49Å; P470-N752 VanDerWaalsContact CD-CG 3.45Å; P470-N752 HydrophobicContact CG-CB 3.84Å; P470-N752 VanDerWaalsContact CG-CG 3.49Å; P470-N752 WeakPolarHBondContact CG-OD1 3.48Å; M471-N752 PolarHBondContact N-ND2 2.91Å; M471-N752 VanDerWaalsContact N-ND2 3.2Å; M471-N752 PolarHBondContact N-OD1 3.5Å; M471-N752 PolarHBondContact O-ND2 2.89Å | ||
| 753 | Q | 27.2 | Very low | 26.6 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 61% | 0.607 | 69% | 0.692 | S | S | * | * | trans | 48 | 125.3 | 148.7 | -62.2 | -84.6 | 43.6 | 0 | 0 | 121.7 | P470 | P470-Q753 HydrophobicContact CG-CG 3.39Š| ||
| 754 | N | 25.9 | Very low | 26.9 | Very low | 156 Ų | 156 | 122.3 Ų | 122.3 | 83% | 0.834 | 69% | 0.687 | S | S | * | * | -175.5 | 159.9 | 99.7 | -125.6 | -44.1 | 0 | 0 | 0 | 117.3 | |||||
| 755 | R | 25.1 | Very low | 26.8 | Very low | 220 Ų | 220 | 124 Ų | 124 | 83% | 0.83 | 68% | 0.684 | S | S | * | * | trans | 76.1 | 105.7 | 148 | -154.2 | 171.6 | -166.5 | -123.1 | 1.2 | 122.7 | ||||
| 756 | S | 26.7 | Very low | 26.8 | Very low | 96 Ų | 96 | 129.4 Ų | 129.4 | 67% | 0.671 | 69% | 0.687 | S | S | * | * | 25.1 | 151 | 116.5 | -56.7 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 757 | E | 21.3 | Very low | 26.4 | Very low | 168 Ų | 168 | 128.6 Ų | 128.6 | 79% | 0.785 | 68% | 0.682 | S | S | * | * | cis | -175.6 | 167 | -14.8 | -162.4 | -178.5 | 124.2 | 0 | 0 | 110 | ||||
| 758 | S | 23.8 | Very low | 27.3 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | trans | 70.7 | 112.4 | 151 | 71.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 759 | S | 25.8 | Very low | 27.3 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 77% | 0.769 | 69% | 0.694 | S | S | * | * | trans | 69.5 | 166.6 | 140.4 | 81 | 0 | 0 | 0 | 0 | 119 | ||||
| 760 | P | 30.5 | Very low | 27.6 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | cis | -92.5 | 170.1 | -2.7 | 40 | -35.2 | 0 | 0 | 0 | 112.4 | ||||
| 761 | Q | 25.5 | Very low | 27.7 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 67% | 0.673 | 71% | 0.707 | S | S | * | * | cis | 84.1 | 116.5 | 31.2 | -135.7 | -157.5 | 19.5 | 0 | 0 | 117 | ||||
| 762 | R | 25.7 | Very low | 27.6 | Very low | 186 Ų | 186 | 141.9 Ų | 141.9 | 70% | 0.702 | 73% | 0.725 | S | S | * | * | trans | 95.2 | 101 | 158.7 | -58.1 | -158.4 | -175.4 | 79 | 1.3 | 121.3 | ||||
| 763 | F | 28.6 | Very low | 27.8 | Very low | 176 Ų | 176 | 142.3 Ų | 142.3 | 77% | 0.772 | 74% | 0.735 | S | S | * | * | 72.7 | 128.4 | 116.8 | -83.4 | -68.7 | 0 | 0 | 0 | 123.6 | |||||
| 764 | L | 30.4 | Very low | 28.8 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | trans | 73.1 | 154.1 | 152.1 | -57.5 | 177.1 | 0 | 0 | 0 | 116.6 | ||||
| 765 | Q | 23.9 | Very low | 28.9 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 67% | 0.668 | 74% | 0.737 | S | S | * | * | cis | -157.1 | 171.9 | 8.2 | -139.9 | 170.5 | 41.1 | 0 | 0 | 113.1 | ||||
| 766 | R | 23.8 | Very low | 29 | Very low | 223 Ų | 223 | 138 Ų | 138 | 84% | 0.842 | 74% | 0.738 | S | S | * | * | trans | 87 | 116.9 | 146.6 | -83.6 | 178.3 | -174.4 | -165.6 | -2.4 | 123.7 | ||||
| 767 | S | 27.9 | Very low | 29 | Very low | 87 Ų | 87 | 138.8 Ų | 138.8 | 61% | 0.608 | 74% | 0.744 | S | S | * | * | trans | -58.9 | 170.9 | 137.8 | -138.5 | 0 | 0 | 0 | 0 | 111 | E769 | S767-E769 PolarHBondContact OG-OE2 3.33Š| ||
| 768 | P | 49.1 | Very low | 30.2 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | -156 | 159.1 | 60.8 | 41 | -17.9 | 0 | 0 | 0 | 122.2 | |||||
| 769 | E | 28.1 | Very low | 30.4 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | trans | 14.1 | 159.3 | 143 | -65 | 86.3 | 88.2 | 0 | 0 | 126.8 | S767 | S767-E769 PolarHBondContact OG-OE2 3.33Š| ||
| 770 | S | 31.7 | Very low | 30.7 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | trans | 96.6 | 139.9 | 152.8 | -126.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 771 | R | 28.5 | Very low | 30.6 | Very low | 236 Ų | 236 | 141.6 Ų | 141.6 | 89% | 0.891 | 74% | 0.737 | S | S | * | * | cis | -142.4 | -175.1 | 15.5 | -144.8 | 145.7 | 176 | -169.1 | -1.3 | 108.7 | ||||
| 772 | A | 25.8 | Very low | 30.7 | Very low | 91 Ų | 91 | 138.8 Ų | 138.8 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | cis | -153.7 | -144.8 | 15.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 773 | S | 28.1 | Very low | 30.9 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | trans | -161.7 | -175 | -175.9 | -139 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 774 | P | 49.7 | Very low | 30.9 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | cis | -147.9 | 151.5 | 45.9 | 36.9 | -13.5 | 0 | 0 | 0 | 120.8 | ||||
| 775 | H | 26.8 | Very low | 30.9 | Very low | 163 Ų | 163 | 130.3 Ų | 130.3 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | 33.5 | 132.1 | 139.1 | -53.3 | -60.9 | 0 | 0 | 0 | 124.3 | ||||
| 776 | T | 26.5 | Very low | 31.9 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | -164.3 | 160.7 | 111.6 | 16.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 777 | S | 27.9 | Very low | 32.2 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -164.1 | 174.1 | 177.2 | -66.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 778 | P | 45.2 | Very low | 32.6 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | cis | -150 | -174 | 19 | 39.3 | -15.1 | 0 | 0 | 0 | 118.6 | ||||
| 779 | N | 28.5 | Very low | 31.8 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 66% | 0.658 | 76% | 0.761 | S | S | * | * | trans | 86 | 141.7 | 133.3 | -104.8 | -20.2 | 0 | 0 | 0 | 126.9 | ||||
| 780 | H | 32.9 | Very low | 31.7 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 65% | 0.653 | 77% | 0.769 | S | S | * | * | trans | 85.4 | 126.2 | 138.2 | -72.4 | -27.7 | 0 | 0 | 0 | 125.2 | ||||
| 781 | Q | 28 | Very low | 31.5 | Very low | 175 Ų | 175 | 134 Ų | 134 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 71.1 | 152 | 141.1 | -67.9 | -176.9 | 52.1 | 0 | 0 | 120 | ||||
| 782 | A | 28.4 | Very low | 31.5 | Very low | 85 Ų | 85 | 131.4 Ų | 131.4 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | cis | -168.1 | 163.9 | -21.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 783 | S | 29 | Very low | 31.9 | Very low | 101 Ų | 101 | 133 Ų | 133 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | 78.7 | 151.3 | 149.2 | -138.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 784 | N | 29.5 | Very low | 32.1 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | 62.7 | 115.8 | 159.6 | -59.4 | -25.4 | 0 | 0 | 0 | 121.1 | ||||
| 785 | G | 29.5 | Very low | 31.7 | Very low | 71 Ų | 71 | 139 Ų | 139 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | -100 | -165.2 | 137.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 786 | P | 43.9 | Very low | 32.4 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 84% | 0.844 | 78% | 0.776 | S | S | * | * | cis | -122.4 | 173.1 | 2.5 | 41.6 | -29.6 | 0 | 0 | 0 | 113.8 | ||||
| 787 | L | 30.2 | Very low | 33 | Very low | 164 Ų | 164 | 136 Ų | 136 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | 159.9 | 120.9 | 125 | -177.6 | 60.5 | 0 | 0 | 0 | 112.8 | |||||
| 788 | S | 36.9 | Very low | 33.9 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | 27.2 | 103.8 | 155.7 | -162.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 789 | K | 31.7 | Very low | 34.1 | Very low | 201 Ų | 201 | 144.9 Ų | 144.9 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -174.3 | 116 | 134.5 | -97.7 | 146.7 | -172.1 | 176.6 | 0 | 109.5 | ||||
| 790 | Q | 26.9 | Very low | 35.3 | Very low | 187 Ų | 187 | 144.5 Ų | 144.5 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -92.3 | 103.3 | 169.6 | -89.3 | -167.9 | -26.4 | 0 | 0 | 110.5 | ||||
| 791 | T | 27.1 | Very low | 36.8 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 117.9 | 164.1 | -57 | 0 | 0 | 0 | 0 | 108.7 | V793 | T791-V793 PolarHBondContact O-N 2.84Š|
| 792 | F | 29.1 | Very low | 38.8 | Very low | 180 Ų | 180 | 142.5 Ų | 142.5 | 79% | 0.789 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 119.5 | 169 | -105.2 | -91.8 | 0 | 0 | 0 | 109.8 | ||
| 793 | V | 32.9 | Very low | 40.5 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 130.3 | 171.6 | 177.2 | 0 | 0 | 0 | 0 | 109 | T791 Q795 | T791-V793 PolarHBondContact O-N 2.84Å; V793-Q795 PolarHBondContact O-N 2.79Å |
| 794 | L | 34.3 | Very low | 42.8 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 123 | 176.7 | -68.8 | 165.9 | 0 | 0 | 0 | 110.5 | ||
| 795 | Q | 39.9 | Very low | 44.9 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 149 | 162.2 | -68.3 | -174.6 | 5.1 | 0 | 0 | 109.6 | V793 | V793-Q795 PolarHBondContact O-N 2.79Š|
| 796 | P | 41.1 | Very low | 46.9 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 146.9 | 172.2 | 27.4 | -34.8 | 0 | 0 | 0 | 110.6 | R798 | P796-R798 PolarHBondContact O-N 2.99Š|
| 797 | P | 40.9 | Very low | 48.1 | Very low | 128 Ų | 128 | 139 Ų | 139 | 83% | 0.831 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 124.3 | -177.5 | 26.4 | -34 | 0 | 0 | 0 | 110.7 | ||
| 798 | R | 45.9 | Very low | 50.1 | Low | 235 Ų | 235 | 136.2 Ų | 136.2 | 89% | 0.887 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 135 | 166.4 | -81.4 | -179.6 | 163.6 | 172.9 | -4.9 | 109.3 | P796 | P796-R798 PolarHBondContact O-N 2.99Š|
| 799 | E | 48.9 | Very low | 51.2 | Low | 173 Ų | 173 | 137.2 Ų | 137.2 | 81% | 0.808 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 141.2 | 172 | -66.3 | -175.6 | 110.4 | 0 | 0 | 110.9 | ||
| 800 | P | 55.3 | Low | 52.4 | Low | 115 Ų | 115 | 130.5 Ų | 130.5 | 75% | 0.747 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 145.2 | 171.2 | 28.5 | -34 | 0 | 0 | 0 | 110.1 | R802 | P800-R802 PolarHBondContact O-N 3.42Š|
| 801 | P | 64.2 | Low | 53.5 | Low | 78 Ų | 78 | 130.3 Ų | 130.3 | 51% | 0.506 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 138.3 | -176.9 | 23.8 | -33.7 | 0 | 0 | 0 | 111.7 | D805 | P801-D805 HydrophobicContact CB-CB 4.48Š|
| 802 | R | 70 | Confident | 54.3 | Low | 196 Ų | 196 | 128.2 Ų | 128.2 | 74% | 0.74 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 148.7 | 175.1 | -73.3 | -83.9 | -178.6 | 140.1 | -2.1 | 109.9 | P800 E804 D805 A806 | P800-R802 PolarHBondContact O-N 3.42Å; R802-E804 PolarHBondContact O-N 3.46Å; R802-E804 VanDerWaalsContact O-N 3.09Å; R802-D805 PolarHBondContact O-N 3.07Å; R802-A806 PolarHBondContact O-N 3.11Å |
| 803 | Y | 63.4 | Low | 55.2 | Low | 191 Ų | 191 | 126 Ų | 126 | 75% | 0.749 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -46.7 | -43.6 | -176.9 | 176.5 | -102.3 | 0 | 0 | 0 | 113.7 | D805 A806 V807 | Y803-D805 VanDerWaalsContact C-N 3.27Å; Y803-D805 PolarHBondContact O-N 3.48Å; Y803-A806 PolarHBondContact O-N 3.04Å; Y803-V807 HydrophobicContact CD1-CG2 4.21Å; Y803-V807 HydrophobicContact CD2-CG2 4.19Å; Y803-V807 HydrophobicContact CE1-CG2 3.89Å; Y803-V807 HydrophobicContact CE2-CG2 3.87Å; Y803-V807 HydrophobicContact CG-CG2 4.36Å; Y803-V807 WeakPolarHBondContact O-CB 3.34Å; Y803-V807 VanDerWaalsContact O-CG2 3.26Å; Y803-V807 WeakPolarHBondContact O-CG2 3.48Å; Y803-V807 PolarHBondContact O-N 3.27Å |
| 804 | E | 77.1 | Confident | 55.8 | Low | 113 Ų | 113 | 127.6 Ų | 127.6 | 53% | 0.528 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -47.3 | -44.4 | 172.5 | -93.3 | -73.1 | 110.1 | 0 | 0 | 113.9 | R802 K808 | R802-E804 PolarHBondContact O-N 3.46Å; R802-E804 VanDerWaalsContact O-N 3.09Å; E804-K808 VanDerWaalsContact O-CD 3.29Å; E804-K808 WeakPolarHBondContact O-CD 3.4Å; E804-K808 VanDerWaalsContact O-CE 3.22Å; E804-K808 WeakPolarHBondContact O-CE 3.34Å; E804-K808 WeakPolarHBondContact O-CG 3.45Å; E804-K808 PolarHBondContact O-N 2.96Å; E804-K808 VanDerWaalsContact O-N 3.1Å; E804-K808 WeakPolarHBondContact OE2-CE 3.14Å; E804-K808 IonicContact OE2-NZ 2.67Å; E804-K808 PolarHBondContact OE2-NZ 2.91Å |
| 805 | D | 73.1 | Confident | 56.2 | Low | 72 Ų | 72 | 124 Ų | 124 | 39% | 0.385 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -87.5 | -32.2 | -172.6 | -55.1 | -41.1 | 0 | 0 | 0 | 111.7 | P801 R802 Y803 V807 K808 Q809 | P801-D805 HydrophobicContact CB-CB 4.48Å; R802-D805 PolarHBondContact O-N 3.07Å; Y803-D805 VanDerWaalsContact C-N 3.27Å; Y803-D805 PolarHBondContact O-N 3.48Å; D805-V807 VanDerWaalsContact C-N 3.33Å; D805-K808 PolarHBondContact O-N 3.3Å; D805-K808 IonicContact OD1-NZ 2.61Å; D805-K808 PolarHBondContact OD1-NZ 3.47Å; D805-Q809 WeakPolarHBondContact O-CB 3.41Å; D805-Q809 WeakPolarHBondContact O-CG 3.35Å; D805-Q809 PolarHBondContact O-N 2.94Å |
| 806 | A | 73.1 | Confident | 56.1 | Low | 41 Ų | 41 | 119.7 Ų | 119.7 | 34% | 0.339 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.4 | -37.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R802 Y803 S810 | R802-A806 PolarHBondContact O-N 3.11Å; Y803-A806 PolarHBondContact O-N 3.04Å; A806-S810 WeakPolarHBondContact O-CB 3.45Å; A806-S810 PolarHBondContact O-N 2.83Å; A806-S810 PolarHBondContact O-OG 3.3Å |
| 807 | V | 68.6 | Low | 56.4 | Low | 50 Ų | 50 | 117 Ų | 117 | 30% | 0.303 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.7 | -35.3 | 173.8 | 169 | 0 | 0 | 0 | 0 | 111.6 | Y803 D805 S810 R811 | Y803-V807 HydrophobicContact CD1-CG2 4.21Å; Y803-V807 HydrophobicContact CD2-CG2 4.19Å; Y803-V807 HydrophobicContact CE1-CG2 3.89Å; Y803-V807 HydrophobicContact CE2-CG2 3.87Å; Y803-V807 HydrophobicContact CG-CG2 4.36Å; Y803-V807 WeakPolarHBondContact O-CB 3.34Å; Y803-V807 VanDerWaalsContact O-CG2 3.26Å; Y803-V807 WeakPolarHBondContact O-CG2 3.48Å; Y803-V807 PolarHBondContact O-N 3.27Å; D805-V807 VanDerWaalsContact C-N 3.33Å; V807-S810 WeakPolarHBondContact CA-OG 3.48Å; V807-S810 PolarHBondContact O-OG 3.1Å; V807-R811 VanDerWaalsContact O-CB 3.28Å; V807-R811 WeakPolarHBondContact O-CB 3.5Å; V807-R811 PolarHBondContact O-N 2.94Å; V807-R811 VanDerWaalsContact O-N 3.14Å |
| 808 | K | 70.9 | Confident | 56.6 | Low | 104 Ų | 104 | 119.1 Ų | 119.1 | 45% | 0.452 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70.4 | -42.6 | 173.4 | -69.7 | 158.8 | -154.3 | 159.4 | 0 | 112.1 | E804 D805 R811 S812 | E804-K808 VanDerWaalsContact O-CD 3.29Å; E804-K808 WeakPolarHBondContact O-CD 3.4Å; E804-K808 VanDerWaalsContact O-CE 3.22Å; E804-K808 WeakPolarHBondContact O-CE 3.34Å; E804-K808 WeakPolarHBondContact O-CG 3.45Å; E804-K808 PolarHBondContact O-N 2.96Å; E804-K808 VanDerWaalsContact O-N 3.1Å; E804-K808 WeakPolarHBondContact OE2-CE 3.14Å; E804-K808 IonicContact OE2-NZ 2.67Å; E804-K808 PolarHBondContact OE2-NZ 2.91Å; D805-K808 PolarHBondContact O-N 3.3Å; D805-K808 IonicContact OD1-NZ 2.61Å; D805-K808 PolarHBondContact OD1-NZ 3.47Å; K808-R811 PolarHBondContact O-N 2.91Å; K808-S812 WeakPolarHBondContact O-CB 3.3Å; K808-S812 PolarHBondContact O-N 3.22Å |
| 809 | Q | 60.3 | Low | 56.3 | Low | 122 Ų | 122 | 113.7 Ų | 113.7 | 57% | 0.57 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.3 | -44.6 | 178 | -74.3 | 177.2 | -3.4 | 0 | 0 | 112.4 | D805 R811 S812 L813 | D805-Q809 WeakPolarHBondContact O-CB 3.41Å; D805-Q809 WeakPolarHBondContact O-CG 3.35Å; D805-Q809 PolarHBondContact O-N 2.94Å; Q809-R811 PolarHBondContact O-N 3.3Å; Q809-S812 WeakPolarHBondContact O-CB 3.47Å; Q809-S812 PolarHBondContact O-N 3.46Å; Q809-S812 VanDerWaalsContact O-N 3.13Å; Q809-L813 PolarHBondContact O-N 2.9Å |
| 810 | S | 56.8 | Low | 56.1 | Low | 60 Ų | 60 | 110.5 Ų | 110.5 | 42% | 0.42 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63 | -40.7 | 175.2 | 49.4 | 0 | 0 | 0 | 0 | 112.4 | A806 V807 S812 L813 Q814 | A806-S810 WeakPolarHBondContact O-CB 3.45Å; A806-S810 PolarHBondContact O-N 2.83Å; A806-S810 PolarHBondContact O-OG 3.3Å; V807-S810 WeakPolarHBondContact CA-OG 3.48Å; V807-S810 PolarHBondContact O-OG 3.1Å; S810-S812 VanDerWaalsContact C-N 3.33Å; S810-S812 PolarHBondContact O-N 2.85Å; S810-L813 PolarHBondContact O-N 3.2Å; S810-Q814 WeakPolarHBondContact O-CG 3.47Å; S810-Q814 PolarHBondContact O-N 2.85Å |
| 811 | R | 51.6 | Low | 55.8 | Low | 183 Ų | 183 | 109.2 Ų | 109.2 | 69% | 0.691 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.3 | -37.6 | 170.8 | -175.1 | 180 | -68.1 | -104.2 | 0.7 | 112.5 | V807 K808 Q809 Q814 A815 | V807-R811 VanDerWaalsContact O-CB 3.28Å; V807-R811 WeakPolarHBondContact O-CB 3.5Å; V807-R811 PolarHBondContact O-N 2.94Å; V807-R811 VanDerWaalsContact O-N 3.14Å; K808-R811 PolarHBondContact O-N 2.91Å; Q809-R811 PolarHBondContact O-N 3.3Å; R811-Q814 PolarHBondContact O-N 2.95Å; R811-A815 WeakPolarHBondContact O-CB 3.47Å; R811-A815 PolarHBondContact O-N 3.37Å |
| 812 | S | 42.5 | Very low | 55.3 | Low | 80 Ų | 80 | 109.6 Ų | 109.6 | 56% | 0.559 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.1 | -31.7 | 177.7 | -167.8 | 0 | 0 | 0 | 0 | 113.2 | K808 Q809 S810 | K808-S812 WeakPolarHBondContact O-CB 3.3Å; K808-S812 PolarHBondContact O-N 3.22Å; Q809-S812 WeakPolarHBondContact O-CB 3.47Å; Q809-S812 PolarHBondContact O-N 3.46Å; Q809-S812 VanDerWaalsContact O-N 3.13Å; S810-S812 VanDerWaalsContact C-N 3.33Å; S810-S812 PolarHBondContact O-N 2.85Å |
| 813 | L | 48.1 | Very low | 54.7 | Low | 134 Ų | 134 | 105.2 Ų | 105.2 | 70% | 0.702 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -76.7 | -38.1 | 174.4 | -71.4 | 170.8 | 0 | 0 | 0 | 111.7 | Q809 S810 A815 A816 | Q809-L813 PolarHBondContact O-N 2.9Å; S810-L813 PolarHBondContact O-N 3.2Å; L813-A815 PolarHBondContact O-N 3.49Å; L813-A816 PolarHBondContact O-N 3.34Å; L813-A816 VanDerWaalsContact O-N 3.09Å |
| 814 | Q | 45.1 | Very low | 54.8 | Low | 158 Ų | 158 | 99 Ų | 99 | 74% | 0.738 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.2 | -26.9 | 171.5 | -72.2 | 179.2 | -6.9 | 0 | 0 | 112.7 | S810 R811 A816 | S810-Q814 WeakPolarHBondContact O-CG 3.47Å; S810-Q814 PolarHBondContact O-N 2.85Å; R811-Q814 PolarHBondContact O-N 2.95Å; Q814-A816 VanDerWaalsContact C-N 3.27Å; Q814-A816 PolarHBondContact O-N 2.87Å |
| 815 | A | 42.5 | Very low | 54.7 | Low | 88 Ų | 88 | 98.8 Ų | 98.8 | 73% | 0.727 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -9.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R811 L813 | R811-A815 WeakPolarHBondContact O-CB 3.47Å; R811-A815 PolarHBondContact O-N 3.37Å; L813-A815 PolarHBondContact O-N 3.49Å |
| 816 | A | 39.5 | Very low | 54.6 | Low | 80 Ų | 80 | 100.6 Ų | 100.6 | 66% | 0.661 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -0.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L813 Q814 | L813-A816 PolarHBondContact O-N 3.34Å; L813-A816 VanDerWaalsContact O-N 3.09Å; Q814-A816 VanDerWaalsContact C-N 3.27Å; Q814-A816 PolarHBondContact O-N 2.87Å |
| 817 | G | 47.7 | Very low | 55 | Low | 56 Ų | 56 | 103.6 Ų | 103.6 | 58% | 0.577 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -137.4 | 69.7 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 818 | Q | 43.2 | Very low | 55.5 | Low | 173 Ų | 173 | 105 Ų | 105 | 81% | 0.808 | 60% | 0.6 | S | S | * | * | trans | -174.2 | 66.7 | 159 | -97.7 | -75.4 | 48.8 | 0 | 0 | 107.9 | ||||
| 819 | V | 41 | Very low | 56.1 | Low | 121 Ų | 121 | 103.2 Ų | 103.2 | 73% | 0.733 | 60% | 0.595 | S | S | * | * | trans | -100.4 | 117.2 | 163.6 | 177.4 | 0 | 0 | 0 | 0 | 106.5 | T821 | V819-T821 PolarHBondContact O-N 2.78Š| ||
| 820 | P | 43.5 | Very low | 57.3 | Low | 106 Ų | 106 | 100.7 Ų | 100.7 | 69% | 0.688 | 59% | 0.585 | S | S | * | * | trans | -65.9 | 98.2 | 176.9 | -21.6 | 34 | 0 | 0 | 0 | 110.8 | ||||
| 821 | T | 49.6 | Very low | 57.9 | Low | 88 Ų | 88 | 102.4 Ų | 102.4 | 54% | 0.54 | 59% | 0.585 | S | S | . | * | trans | -72.6 | 133 | 162.1 | 50.9 | 0 | 0 | 0 | 0 | 107.8 | V819 T823 S824 | V819-T821 PolarHBondContact O-N 2.78Å; T821-T823 PolarHBondContact O-N 3.4Å; T821-S824 PolarHBondContact O-N 2.8Å | ||
| 822 | A | 54.6 | Low | 59.5 | Low | 86 Ų | 86 | 99 Ų | 99 | 71% | 0.711 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -56.3 | -22.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S824 Q825 H826 | A822-S824 VanDerWaalsContact C-N 3.31Å; A822-S824 PolarHBondContact O-N 2.99Å; A822-Q825 PolarHBondContact O-N 3.4Å; A822-H826 PolarHBondContact O-N 3.36Å; A822-H826 VanDerWaalsContact O-N 3.15Å |
| 823 | T | 56.2 | Low | 61.5 | Low | 104 Ų | 104 | 100 Ų | 100 | 64% | 0.638 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.2 | -23.9 | 171.2 | 33.8 | 0 | 0 | 0 | 0 | 115 | T821 M827 | T821-T823 PolarHBondContact O-N 3.4Å; T823-M827 WeakPolarHBondContact O-CG 3.36Å; T823-M827 PolarHBondContact O-N 3.46Å |
| 824 | S | 65.3 | Low | 63.1 | Low | 60 Ų | 60 | 96.4 Ų | 96.4 | 42% | 0.42 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -72.5 | -50.4 | 173.3 | -164 | 0 | 0 | 0 | 0 | 110.2 | T821 A822 H826 M827 D828 | T821-S824 PolarHBondContact O-N 2.8Å; A822-S824 VanDerWaalsContact C-N 3.31Å; A822-S824 PolarHBondContact O-N 2.99Å; S824-H826 VanDerWaalsContact C-N 3.29Å; S824-H826 PolarHBondContact O-N 3.48Å; S824-M827 WeakPolarHBondContact O-CA 3.49Å; S824-M827 WeakPolarHBondContact O-CB 3.39Å; S824-M827 PolarHBondContact O-N 2.96Å; S824-D828 PolarHBondContact O-N 2.86Å |
| 825 | Q | 75.9 | Confident | 64.9 | Low | 108 Ų | 108 | 90.8 Ų | 90.8 | 51% | 0.505 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -56.6 | -44.5 | 178.6 | -168 | 64.7 | 60 | 0 | 0 | 110.9 | A822 M827 D828 D829 | A822-Q825 PolarHBondContact O-N 3.4Å; Q825-M827 VanDerWaalsContact C-N 3.26Å; Q825-M827 PolarHBondContact O-N 3.08Å; Q825-D828 PolarHBondContact O-N 2.86Å; Q825-D828 VanDerWaalsContact O-N 3.13Å; Q825-D829 PolarHBondContact NE2-OD1 2.82Å; Q825-D829 WeakPolarHBondContact O-CB 3.48Å; Q825-D829 PolarHBondContact O-N 3.27Å |
| 826 | H | 71.3 | Confident | 66.5 | Low | 111 Ų | 111 | 95 Ų | 95 | 51% | 0.514 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.4 | -32.2 | 176.4 | -175.4 | 44.2 | 0 | 0 | 0 | 113.9 | A822 S824 L830 | A822-H826 PolarHBondContact O-N 3.36Å; A822-H826 VanDerWaalsContact O-N 3.15Å; S824-H826 VanDerWaalsContact C-N 3.29Å; S824-H826 PolarHBondContact O-N 3.48Å; H826-L830 WeakPolarHBondContact O-CB 3.45Å; H826-L830 WeakPolarHBondContact O-CD1 3.42Å; H826-L830 WeakPolarHBondContact O-CG 3.44Å; H826-L830 PolarHBondContact O-N 3.4Å; H826-L830 VanDerWaalsContact O-N 3.15Å |
| 827 | M | 81.2 | Confident | 67.7 | Low | 103 Ų | 103 | 94.6 Ų | 94.6 | 51% | 0.507 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -75.2 | -38.8 | 174.7 | -71.6 | -63.9 | -53.7 | 0 | 0 | 111.9 | T823 S824 Q825 L830 F831 | T823-M827 WeakPolarHBondContact O-CG 3.36Å; T823-M827 PolarHBondContact O-N 3.46Å; S824-M827 WeakPolarHBondContact O-CA 3.49Å; S824-M827 WeakPolarHBondContact O-CB 3.39Å; S824-M827 PolarHBondContact O-N 2.96Å; Q825-M827 VanDerWaalsContact C-N 3.26Å; Q825-M827 PolarHBondContact O-N 3.08Å; M827-L830 PolarHBondContact O-N 2.81Å; M827-L830 HydrophobicContact SD-CD1 4.47Å; M827-F831 WeakPolarHBondContact O-CD2 3.42Å; M827-F831 PolarHBondContact O-N 3.17Å |
| 828 | D | 78.6 | Confident | 68.5 | Low | 80 Ų | 80 | 94.7 Ų | 94.7 | 43% | 0.428 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.6 | -44.7 | 176.1 | -62.4 | -39.8 | 0 | 0 | 0 | 110.5 | S824 Q825 L830 F831 D832 | S824-D828 PolarHBondContact O-N 2.86Å; Q825-D828 PolarHBondContact O-N 2.86Å; Q825-D828 VanDerWaalsContact O-N 3.13Å; D828-L830 VanDerWaalsContact C-N 3.31Å; D828-L830 PolarHBondContact O-N 2.89Å; D828-F831 WeakPolarHBondContact O-CA 3.21Å; D828-F831 WeakPolarHBondContact O-CB 3.46Å; D828-F831 PolarHBondContact O-N 3.15Å; D828-D832 PolarHBondContact O-N 3.31Å |
| 829 | D | 84.1 | Confident | 69.8 | Low | 66 Ų | 66 | 93.7 Ų | 93.7 | 35% | 0.353 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59 | -40 | 174.2 | -58.6 | -16.4 | 0 | 0 | 0 | 111.5 | Q825 F831 D832 I833 | Q825-D829 PolarHBondContact NE2-OD1 2.82Å; Q825-D829 WeakPolarHBondContact O-CB 3.48Å; Q825-D829 PolarHBondContact O-N 3.27Å; D829-F831 VanDerWaalsContact C-N 3.35Å; D829-D832 PolarHBondContact O-N 2.9Å; D829-I833 WeakPolarHBondContact O-CB 3.37Å; D829-I833 WeakPolarHBondContact O-CD1 3.37Å; D829-I833 WeakPolarHBondContact O-CG1 3.46Å; D829-I833 PolarHBondContact O-N 2.91Å |
| 830 | L | 85.2 | Confident | 70.7 | Confident | 70 Ų | 70 | 90 Ų | 90 | 37% | 0.366 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.3 | -35.1 | 174 | -78.6 | 169.5 | 0 | 0 | 0 | 112.3 | H826 M827 D828 L834 | H826-L830 WeakPolarHBondContact O-CB 3.45Å; H826-L830 WeakPolarHBondContact O-CD1 3.42Å; H826-L830 WeakPolarHBondContact O-CG 3.44Å; H826-L830 PolarHBondContact O-N 3.4Å; H826-L830 VanDerWaalsContact O-N 3.15Å; M827-L830 PolarHBondContact O-N 2.81Å; M827-L830 HydrophobicContact SD-CD1 4.47Å; D828-L830 VanDerWaalsContact C-N 3.31Å; D828-L830 PolarHBondContact O-N 2.89Å; L830-L834 WeakPolarHBondContact O-CB 3.45Å; L830-L834 WeakPolarHBondContact O-CD1 3.41Å; L830-L834 VanDerWaalsContact O-CG 3.32Å; L830-L834 WeakPolarHBondContact O-CG 3.42Å; L830-L834 PolarHBondContact O-N 3.3Å |
| 831 | F | 69.7 | Low | 71.2 | Confident | 95 Ų | 95 | 89.9 Ų | 89.9 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.9 | -42.3 | 173.5 | -100.3 | -78.2 | 0 | 0 | 0 | 111.9 | M827 D828 D829 L834 V835 I840 | M827-F831 WeakPolarHBondContact O-CD2 3.42Å; M827-F831 PolarHBondContact O-N 3.17Å; D828-F831 WeakPolarHBondContact O-CA 3.21Å; D828-F831 WeakPolarHBondContact O-CB 3.46Å; D828-F831 PolarHBondContact O-N 3.15Å; D829-F831 VanDerWaalsContact C-N 3.35Å; F831-L834 PolarHBondContact O-N 2.91Å; F831-V835 WeakPolarHBondContact O-CG2 3.37Å; F831-V835 PolarHBondContact O-N 2.83Å; F831-I840 HydrophobicContact CD1-CD1 4.1Å; F831-I840 HydrophobicContact CE1-CD1 3.97Å |
| 832 | D | 83.9 | Confident | 71.5 | Confident | 111 Ų | 111 | 89.8 Ų | 89.8 | 59% | 0.594 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66 | -39.7 | 176.2 | -79.3 | -18.8 | 0 | 0 | 0 | 111.4 | D828 D829 L834 V835 E836 | D828-D832 PolarHBondContact O-N 3.31Å; D829-D832 PolarHBondContact O-N 2.9Å; D832-L834 VanDerWaalsContact C-N 3.34Å; D832-L834 PolarHBondContact O-N 3.45Å; D832-V835 PolarHBondContact O-N 2.93Å; D832-V835 VanDerWaalsContact O-N 3.14Å; D832-E836 WeakPolarHBondContact O-CB 3.43Å; D832-E836 PolarHBondContact O-N 3.15Å |
| 833 | I | 85.1 | Confident | 71.2 | Confident | 102 Ų | 102 | 93.6 Ų | 93.6 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 171.9 | -70.1 | 163.2 | 0 | 0 | 0 | 111.6 | D829 V835 E836 S837 | D829-I833 WeakPolarHBondContact O-CB 3.37Å; D829-I833 WeakPolarHBondContact O-CD1 3.37Å; D829-I833 WeakPolarHBondContact O-CG1 3.46Å; D829-I833 PolarHBondContact O-N 2.91Å; I833-V835 VanDerWaalsContact C-N 3.29Å; I833-V835 PolarHBondContact O-N 3.31Å; I833-E836 PolarHBondContact O-N 3.48Å; I833-S837 VanDerWaalsContact O-CB 3.28Å; I833-S837 WeakPolarHBondContact O-CB 3.2Å; I833-S837 PolarHBondContact O-N 3.42Å; I833-S837 PolarHBondContact O-OG 2.75Å |
| 834 | L | 82.1 | Confident | 70.6 | Confident | 58 Ų | 58 | 95.6 Ų | 95.6 | 30% | 0.304 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.1 | -22.9 | 175.6 | -80.6 | 162.8 | 0 | 0 | 0 | 113.5 | L830 F831 D832 S837 E839 I840 | L830-L834 WeakPolarHBondContact O-CB 3.45Å; L830-L834 WeakPolarHBondContact O-CD1 3.41Å; L830-L834 VanDerWaalsContact O-CG 3.32Å; L830-L834 WeakPolarHBondContact O-CG 3.42Å; L830-L834 PolarHBondContact O-N 3.3Å; F831-L834 PolarHBondContact O-N 2.91Å; D832-L834 VanDerWaalsContact C-N 3.34Å; D832-L834 PolarHBondContact O-N 3.45Å; L834-S837 PolarHBondContact O-OG 3.42Å; L834-E839 HydrophobicContact CD2-CB 4.09Å; L834-E839 WeakPolarHBondContact CD2-OE2 3.32Å; L834-E839 PolarHBondContact O-N 3.24Å; L834-I840 HydrophobicContact CB-CD1 3.74Å; L834-I840 HydrophobicContact CB-CG1 4.01Å; L834-I840 HydrophobicContact CD1-CD1 4.04Å; L834-I840 HydrophobicContact CG-CD1 4.36Å; L834-I840 PolarHBondContact O-N 3.13Å |
| 835 | V | 81.9 | Confident | 69.1 | Low | 40 Ų | 40 | 99 Ų | 99 | 24% | 0.242 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -84.2 | -39.1 | 173 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | F831 D832 I833 G838 I840 P842 | F831-V835 WeakPolarHBondContact O-CG2 3.37Å; F831-V835 PolarHBondContact O-N 2.83Å; D832-V835 PolarHBondContact O-N 2.93Å; D832-V835 VanDerWaalsContact O-N 3.14Å; I833-V835 VanDerWaalsContact C-N 3.29Å; I833-V835 PolarHBondContact O-N 3.31Å; V835-G838 PolarHBondContact O-N 2.96Å; V835-I840 HydrophobicContact CG2-CB 4.2Å; V835-I840 HydrophobicContact CG2-CG2 4.22Å; V835-P842 HydrophobicContact CG1-CB 3.84Å |
| 836 | E | 76.6 | Confident | 67.1 | Low | 178 Ų | 178 | 101.7 Ų | 101.7 | 83% | 0.832 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72.2 | -32.9 | 177 | -171.3 | 168.4 | -157.1 | 0 | 0 | 112.4 | D832 I833 G838 | D832-E836 WeakPolarHBondContact O-CB 3.43Å; D832-E836 PolarHBondContact O-N 3.15Å; I833-E836 PolarHBondContact O-N 3.48Å; E836-G838 PolarHBondContact O-N 3.04Å |
| 837 | S | 65.6 | Low | 65 | Low | 71 Ų | 71 | 103 Ų | 103 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.5 | -16 | 170.5 | 73 | 0 | 0 | 0 | 0 | 113.6 | I833 L834 E839 | I833-S837 VanDerWaalsContact O-CB 3.28Å; I833-S837 WeakPolarHBondContact O-CB 3.2Å; I833-S837 PolarHBondContact O-N 3.42Å; I833-S837 PolarHBondContact O-OG 2.75Å; L834-S837 PolarHBondContact O-OG 3.42Å; S837-E839 VanDerWaalsContact C-N 3.31Å; S837-E839 PolarHBondContact OG-N 2.96Å |
| 838 | G | 63.9 | Low | 62.7 | Low | 57 Ų | 57 | 101.3 Ų | 101.3 | 59% | 0.588 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.4 | 8.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | V835 E836 I840 | V835-G838 PolarHBondContact O-N 2.96Å; E836-G838 PolarHBondContact O-N 3.04Å; G838-I840 VanDerWaalsContact C-N 3.33Å |
| 839 | E | 70 | Confident | 60.8 | Low | 153 Ų | 153 | 102.3 Ų | 102.3 | 72% | 0.715 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -71.6 | -28.5 | 174.6 | -68.9 | -171.6 | 173.4 | 0 | 0 | 112.4 | L834 S837 | L834-E839 HydrophobicContact CD2-CB 4.09Å; L834-E839 WeakPolarHBondContact CD2-OE2 3.32Å; L834-E839 PolarHBondContact O-N 3.24Å; S837-E839 VanDerWaalsContact C-N 3.31Å; S837-E839 PolarHBondContact OG-N 2.96Å |
| 840 | I | 60 | Low | 58.5 | Low | 43 Ų | 43 | 102.8 Ų | 102.8 | 22% | 0.221 | 60% | 0.598 | C | S | . | * | S | Bend | trans | -116.4 | 125.9 | 171.4 | -59.2 | -177.8 | 0 | 0 | 0 | 109.4 | F831 L834 V835 G838 F843 | F831-I840 HydrophobicContact CD1-CD1 4.1Å; F831-I840 HydrophobicContact CE1-CD1 3.97Å; L834-I840 HydrophobicContact CB-CD1 3.74Å; L834-I840 HydrophobicContact CB-CG1 4.01Å; L834-I840 HydrophobicContact CD1-CD1 4.04Å; L834-I840 HydrophobicContact CG-CD1 4.36Å; L834-I840 PolarHBondContact O-N 3.13Å; V835-I840 HydrophobicContact CG2-CB 4.2Å; V835-I840 HydrophobicContact CG2-CG2 4.22Å; G838-I840 VanDerWaalsContact C-N 3.33Å; I840-F843 HydrophobicContact CG2-CE2 4.29Å |
| 841 | P | 54 | Low | 55.9 | Low | 103 Ų | 103 | 104.3 Ų | 104.3 | 67% | 0.669 | 62% | 0.621 | S | S | * | * | trans | -61.5 | 135.6 | 173.2 | -22 | 33.2 | 0 | 0 | 0 | 111.3 | F843 | P841-F843 PolarHBondContact O-N 2.79Š| ||
| 842 | P | 55.4 | Low | 54.2 | Low | 87 Ų | 87 | 107.1 Ų | 107.1 | 57% | 0.565 | 64% | 0.64 | S | S | * | * | trans | -58.7 | 135.3 | -179.1 | 22.6 | -33.4 | 0 | 0 | 0 | 111.5 | V835 L844 | V835-P842 HydrophobicContact CG1-CB 3.84Å; P842-L844 VanDerWaalsContact C-N 3.3Å; P842-L844 PolarHBondContact O-N 3.37Å | ||
| 843 | F | 48.3 | Very low | 51.7 | Low | 166 Ų | 166 | 107.6 Ų | 107.6 | 73% | 0.728 | 65% | 0.647 | S | S | * | * | trans | -69 | 80.8 | -177.3 | -77 | -80.6 | 0 | 0 | 0 | 112.4 | I840 P841 P845 | I840-F843 HydrophobicContact CG2-CE2 4.29Å; P841-F843 PolarHBondContact O-N 2.79Å; F843-P845 WeakPolarHBondContact O-CD 3.39Å | ||
| 844 | L | 43.4 | Very low | 49.2 | Very low | 145 Ų | 145 | 112.6 Ų | 112.6 | 76% | 0.759 | 66% | 0.664 | S | S | * | * | trans | -56.2 | 125.6 | 169.9 | -78.2 | 157.7 | 0 | 0 | 0 | 110.8 | P842 Q846 | P842-L844 VanDerWaalsContact C-N 3.3Å; P842-L844 PolarHBondContact O-N 3.37Å; L844-Q846 PolarHBondContact O-N 3.42Å | ||
| 845 | P | 34.1 | Very low | 46.8 | Very low | 133 Ų | 133 | 115.8 Ų | 115.8 | 86% | 0.864 | 69% | 0.686 | S | S | * | * | trans | -68.4 | 75.6 | 166.8 | -20.8 | 35.2 | 0 | 0 | 0 | 110.8 | F843 D847 | F843-P845 WeakPolarHBondContact O-CD 3.39Å; P845-D847 PolarHBondContact O-N 3.15Å | ||
| 846 | Q | 33.6 | Very low | 44.2 | Very low | 164 Ų | 164 | 122.8 Ų | 122.8 | 77% | 0.766 | 72% | 0.716 | S | S | * | * | trans | -77.4 | 91.1 | -174.8 | -172.8 | 178.5 | 10.9 | 0 | 0 | 111.4 | L844 A848 | L844-Q846 PolarHBondContact O-N 3.42Å; Q846-A848 HydrophobicContact CG-CB 3.61Å; Q846-A848 PolarHBondContact O-N 2.93Å | ||
| 847 | D | 27.2 | Very low | 42.3 | Very low | 138 Ų | 138 | 119.5 Ų | 119.5 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | trans | -77.1 | 111.3 | 156.1 | -126 | 18.1 | 0 | 0 | 0 | 107.8 | K79 P845 | K79-D847 IonicContact NZ-OD1 3.7Å; K79-D847 PolarHBondContact NZ-OD1 3.24Å; P845-D847 PolarHBondContact O-N 3.15Å | ||
| 848 | A | 34 | Very low | 40.7 | Very low | 68 Ų | 68 | 123 Ų | 123 | 56% | 0.562 | 73% | 0.728 | S | S | * | * | trans | -155.2 | 132.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q846 | Q846-A848 HydrophobicContact CG-CB 3.61Å; Q846-A848 PolarHBondContact O-N 2.93Å | ||
| 849 | A | 38.8 | Very low | 39 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | trans | -155.8 | 134.7 | 133.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 850 | G | 36.3 | Very low | 37 | Very low | 77 Ų | 77 | 124 Ų | 124 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | cis | 157.5 | 131.6 | -11 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 851 | A | 30.9 | Very low | 35.6 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | -163.3 | 65.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 852 | L | 33.8 | Very low | 34.3 | Very low | 155 Ų | 155 | 130.6 Ų | 130.6 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | 86.2 | 91.8 | 79.9 | -166.9 | 136 | 0 | 0 | 0 | 113.4 | |||||
| 853 | T | 30 | Very low | 33.1 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | 37.9 | 130.5 | 145.8 | 65.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 854 | K | 32.5 | Very low | 32.2 | Very low | 206 Ų | 206 | 130.7 Ų | 130.7 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | -149.4 | 149.2 | 109.4 | -141.1 | 169.7 | -176.7 | 178.6 | 0 | 113 | |||||
| 855 | T | 31.6 | Very low | 31.4 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 146.1 | -177.2 | 45.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 856 | H | 28 | Very low | 32.6 | Very low | 188 Ų | 188 | 130.1 Ų | 130.1 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 117.6 | 162.9 | -101.7 | -89.8 | 0 | 0 | 0 | 109.6 | ||
| 857 | P | 36.7 | Very low | 32.6 | Very low | 109 Ų | 109 | 129 Ų | 129 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 153.8 | 163.2 | 33.6 | -32.6 | 0 | 0 | 0 | 110.6 | ||
| 858 | V | 31.8 | Very low | 32.9 | Very low | 143 Ų | 143 | 125.2 Ų | 125.2 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 124.7 | 175.1 | 174.6 | 0 | 0 | 0 | 0 | 110.1 | ||
| 859 | T | 28.8 | Very low | 32.7 | Very low | 140 Ų | 140 | 128 Ų | 128 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -150.9 | 152.1 | 158.2 | 24.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 860 | A | 28.5 | Very low | 32.3 | Very low | 92 Ų | 92 | 126.9 Ų | 126.9 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -100 | 148.3 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 861 | S | 29.8 | Very low | 32.1 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 28.8 | 112.6 | 142.8 | -50 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 862 | I | 26.2 | Very low | 32.1 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -138.1 | 144.8 | 140.7 | -63.4 | -172.5 | 0 | 0 | 0 | 109.2 | ||||
| 863 | T | 30.6 | Very low | 31.9 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | -111.3 | 142.2 | -176.9 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 864 | T | 29.6 | Very low | 31.9 | Very low | 134 Ų | 134 | 135 Ų | 135 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -158.5 | 156.4 | 151.8 | 16 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 865 | L | 27.5 | Very low | 33 | Very low | 161 Ų | 161 | 130.7 Ų | 130.7 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -124.6 | -145.3 | 180 | -66.1 | 173.4 | 0 | 0 | 0 | 111.1 | ||||
| 866 | P | 58.2 | Low | 33.2 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 69% | 0.688 | 79% | 0.79 | S | S | * | * | -130.8 | -158.3 | -108.1 | 41 | -20.9 | 0 | 0 | 0 | 115.5 | |||||
| 867 | V | 33.2 | Very low | 33.2 | Very low | 139 Ų | 139 | 130 Ų | 130 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | 79.8 | 141.8 | 170.8 | -163.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 868 | G | 34.6 | Very low | 32.6 | Very low | 59 Ų | 59 | 131.2 Ų | 131.2 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | cis | 135.6 | 138.9 | -10 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 869 | S | 29 | Very low | 32.3 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | 175.3 | 159.9 | 164.7 | -83 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 870 | A | 30.1 | Very low | 32.3 | Very low | 77 Ų | 77 | 132.1 Ų | 132.1 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | cis | -173.8 | 138.8 | -31.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 871 | L | 32.9 | Very low | 32.1 | Very low | 172 Ų | 172 | 131.2 Ų | 131.2 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | 54.3 | 146.9 | 158.4 | -84.2 | 71.8 | 0 | 0 | 0 | 119.7 | ||||
| 872 | S | 30.4 | Very low | 32.4 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | cis | -169.9 | 153.7 | 46 | 51.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 873 | R | 30.8 | Very low | 33.6 | Very low | 245 Ų | 245 | 129 Ų | 129 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | 66.5 | -177.8 | 151.6 | -131.8 | 161.7 | -174.8 | -119.9 | -2.7 | 120.9 | ||||
| 874 | S | 29.1 | Very low | 33.5 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | -144.7 | 167.3 | -132.5 | 58.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 875 | P | 55.3 | Low | 33.5 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | -112.3 | 174.4 | -164.1 | 42.8 | -36 | 0 | 0 | 0 | 116.5 | ||||
| 876 | P | 35.9 | Very low | 33.9 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -109.8 | 132.6 | 143.1 | 34.8 | -24.8 | 0 | 0 | 0 | 110.3 | ||||
| 877 | Q | 28.3 | Very low | 33 | Very low | 180 Ų | 180 | 125.9 Ų | 125.9 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | cis | 88.2 | 153.5 | 45 | -152.2 | -177 | 28.5 | 0 | 0 | 113.7 | ||||
| 878 | V | 24.8 | Very low | 33.3 | Very low | 135 Ų | 135 | 127 Ų | 127 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | 89 | 130.1 | -175.1 | -178.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 879 | Q | 25.3 | Very low | 33.6 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | cis | -157.4 | 152.5 | -23.3 | -179.2 | 61.7 | 1.1 | 0 | 0 | 110.6 | ||||
| 880 | L | 29 | Very low | 34.2 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | trans | -55.6 | 151.9 | 177.4 | -61.7 | 97.7 | 0 | 0 | 0 | 116.1 | ||||
| 881 | G | 24.3 | Very low | 34.8 | Very low | 73 Ų | 73 | 131.5 Ų | 131.5 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | trans | -175.7 | 124.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 882 | P | 36 | Very low | 35.2 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -114.6 | -156.2 | 179.5 | 38.2 | -22.5 | 0 | 0 | 0 | 112.1 | ||||
| 883 | P | 50.1 | Low | 35.7 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | -122.4 | -156 | -83.9 | 39.8 | -22.8 | 0 | 0 | 0 | 112.3 | |||||
| 884 | V | 28.3 | Very low | 36.3 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | trans | 97.8 | 135.1 | 145.5 | 115.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 885 | L | 31.4 | Very low | 36.8 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 71% | 0.707 | 74% | 0.735 | S | S | * | * | trans | 62.6 | 110.5 | 159.7 | -58.9 | 174 | 0 | 0 | 0 | 122.1 | ||||
| 886 | D | 35.7 | Very low | 35.9 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | 42.2 | 139.3 | 116.2 | -51.1 | -25.9 | 0 | 0 | 0 | 122.6 | |||||
| 887 | G | 39 | Very low | 35.8 | Very low | 79 Ų | 79 | 134.5 Ų | 134.5 | 81% | 0.814 | 74% | 0.735 | S | S | * | * | trans | 122.9 | 36.1 | 140.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 888 | Q | 38.9 | Very low | 36 | Very low | 161 Ų | 161 | 129.4 Ų | 129.4 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | trans | -152.4 | 46.9 | 168.8 | -147.5 | -174.3 | -11.8 | 0 | 0 | 117.5 | A891 | Q888-A891 HydrophobicContact CG-CB 3.99Š| ||
| 889 | L | 40 | Very low | 36.3 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 70% | 0.702 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -79.5 | -23.2 | 179.4 | -166.7 | 58.6 | 0 | 0 | 0 | 114.6 | A891 F892 | L889-A891 VanDerWaalsContact C-N 3.29Å; L889-A891 PolarHBondContact O-N 3.24Å; L889-F892 HydrophobicContact CD1-CB 4.21Å; L889-F892 PolarHBondContact O-N 2.97Å; L889-F892 VanDerWaalsContact O-N 3.16Å |
| 890 | E | 42.3 | Very low | 36.4 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -62.2 | -36.4 | 178.9 | -62.7 | -172.3 | 138.1 | 0 | 0 | 112.1 | F892 L893 | E890-F892 PolarHBondContact O-N 2.9Å; E890-L893 PolarHBondContact O-N 3.03Å |
| 891 | A | 43.8 | Very low | 36.5 | Very low | 48 Ų | 48 | 128.2 Ų | 128.2 | 40% | 0.397 | 73% | 0.73 | S | S | . | * | H | α-helix | trans | -71.8 | -5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q888 L889 | Q888-A891 HydrophobicContact CG-CB 3.99Å; L889-A891 VanDerWaalsContact C-N 3.29Å; L889-A891 PolarHBondContact O-N 3.24Å |
| 892 | F | 40.2 | Very low | 37.4 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -92.8 | -28 | 175.7 | -166 | -103.2 | 0 | 0 | 0 | 112.6 | L889 E890 T896 | L889-F892 HydrophobicContact CD1-CB 4.21Å; L889-F892 PolarHBondContact O-N 2.97Å; L889-F892 VanDerWaalsContact O-N 3.16Å; E890-F892 PolarHBondContact O-N 2.9Å; F892-T896 PolarHBondContact O-OG1 3.14Å |
| 893 | L | 42.2 | Very low | 37.2 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -77.6 | -38.7 | -176.5 | -73.1 | 170 | 0 | 0 | 0 | 112.7 | E890 R895 | E890-L893 PolarHBondContact O-N 3.03Å; L893-R895 PolarHBondContact O-N 3.44Å |
| 894 | E | 41.4 | Very low | 36.7 | Very low | 168 Ų | 168 | 128.3 Ų | 128.3 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -64 | -29 | 173.4 | -68.1 | -166.5 | 124.3 | 0 | 0 | 112.7 | T896 | E894-T896 VanDerWaalsContact C-N 3.25Å; E894-T896 PolarHBondContact O-N 2.82Å |
| 895 | R | 40.8 | Very low | 37.3 | Very low | 212 Ų | 212 | 127.9 Ų | 127.9 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -76.7 | -5.1 | -173.4 | -151.7 | 173.1 | -169.2 | 153.7 | 7 | 114.9 | L893 | L893-R895 PolarHBondContact O-N 3.44Š|
| 896 | T | 35.4 | Very low | 38.4 | Very low | 105 Ų | 105 | 126.5 Ų | 126.5 | 64% | 0.644 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -108.2 | 6.5 | -174 | -44.1 | 0 | 0 | 0 | 0 | 113.3 | F892 E894 | F892-T896 PolarHBondContact O-OG1 3.14Å; E894-T896 VanDerWaalsContact C-N 3.25Å; E894-T896 PolarHBondContact O-N 2.82Å |
| 897 | L | 35.1 | Very low | 39 | Very low | 167 Ų | 167 | 130.2 Ų | 130.2 | 87% | 0.874 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -115.1 | 14.2 | 178.7 | -106.9 | 170 | 0 | 0 | 0 | 114.6 | ||
| 898 | A | 32.1 | Very low | 39.6 | Very low | 74 Ų | 74 | 131.2 Ų | 131.2 | 61% | 0.612 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -117.4 | 134.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 899 | E | 29.9 | Very low | 40.2 | Very low | 184 Ų | 184 | 129.6 Ų | 129.6 | 86% | 0.86 | 71% | 0.709 | S | S | * | * | trans | 59.4 | 88.9 | 156.6 | -64.7 | -179.3 | 94.1 | 0 | 0 | 120.7 | ||||
| 900 | T | 28.9 | Very low | 41.1 | Very low | 136 Ų | 136 | 125.8 Ų | 125.8 | 83% | 0.834 | 70% | 0.702 | S | S | * | * | 42.5 | 89.1 | 109.7 | -39.6 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 901 | A | 30.6 | Very low | 41.9 | Very low | 90 Ų | 90 | 123.4 Ų | 123.4 | 74% | 0.744 | 69% | 0.694 | S | S | * | * | trans | 54.3 | -179.2 | 131.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 902 | P | 43.2 | Very low | 42.1 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | cis | -118.1 | 162 | -25.3 | 38.1 | -25.5 | 0 | 0 | 0 | 113.5 | ||||
| 903 | A | 31.5 | Very low | 43 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 88% | 0.884 | 70% | 0.704 | S | S | * | * | trans | -141.6 | 118 | 158 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 904 | S | 40.6 | Very low | 43.7 | Very low | 84 Ų | 84 | 127.3 Ų | 127.3 | 59% | 0.587 | 70% | 0.704 | S | S | * | * | trans | -109.7 | 133 | -164.8 | 46.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 905 | D | 39.5 | Very low | 44.2 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 61% | 0.61 | 70% | 0.704 | S | S | * | * | trans | -81.2 | 119.7 | 158.9 | -178.6 | -18.1 | 0 | 0 | 0 | 108.4 | R907 T908 | D905-R907 PolarHBondContact O-N 3.24Å; D905-R907 PolarHBondContact OD1-N 3.35Å; D905-T908 PolarHBondContact O-N 2.93Å | ||
| 906 | P | 54.2 | Low | 44.5 | Very low | 107 Ų | 107 | 124.5 Ų | 124.5 | 70% | 0.695 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -10.7 | -169.2 | 24.8 | -35.2 | 0 | 0 | 0 | 115.1 | T908 | P906-T908 VanDerWaalsContact C-N 3.3Å; P906-T908 PolarHBondContact O-N 3.3Å |
| 907 | R | 49.3 | Very low | 44.9 | Very low | 197 Ų | 197 | 122.5 Ų | 122.5 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -18.4 | -178.9 | -165.1 | 167.1 | -178.3 | 165.1 | 0.7 | 114.4 | D905 | D905-R907 PolarHBondContact O-N 3.24Å; D905-R907 PolarHBondContact OD1-N 3.35Å |
| 908 | T | 52.6 | Low | 45.2 | Very low | 99 Ų | 99 | 123.3 Ų | 123.3 | 61% | 0.607 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -20.7 | -171 | -48.7 | 0 | 0 | 0 | 0 | 113.8 | D905 P906 | D905-T908 PolarHBondContact O-N 2.93Å; P906-T908 VanDerWaalsContact C-N 3.3Å; P906-T908 PolarHBondContact O-N 3.3Å |
| 909 | Q | 49.9 | Very low | 45.7 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 60% | 0.598 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -40.7 | -176.8 | -76.7 | 179.1 | -44.3 | 0 | 0 | 113.4 | L911 M912 E913 | Q909-L911 VanDerWaalsContact C-N 3.33Å; Q909-L911 PolarHBondContact O-N 3.09Å; Q909-M912 PolarHBondContact O-N 3.24Å; Q909-M912 VanDerWaalsContact O-N 3.07Å; Q909-E913 PolarHBondContact O-N 3.01Å |
| 910 | G | 59.9 | Low | 45.9 | Very low | 53 Ų | 53 | 123.2 Ų | 123.2 | 55% | 0.546 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -59.6 | -36.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | M912 | G910-M912 VanDerWaalsContact C-N 3.29Å; G910-M912 PolarHBondContact O-N 2.97Å |
| 911 | L | 58.2 | Low | 46.2 | Very low | 127 Ų | 127 | 123.6 Ų | 123.6 | 67% | 0.665 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -74.5 | -16.3 | 179.7 | -72.7 | 169.4 | 0 | 0 | 0 | 113.8 | Q909 | Q909-L911 VanDerWaalsContact C-N 3.33Å; Q909-L911 PolarHBondContact O-N 3.09Å |
| 912 | M | 48.2 | Very low | 46.8 | Very low | 138 Ų | 138 | 123.8 Ų | 123.8 | 68% | 0.68 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -88.3 | -28.4 | 177.4 | -163.2 | -174.6 | -62 | 0 | 0 | 112.1 | Q909 G910 | Q909-M912 PolarHBondContact O-N 3.24Å; Q909-M912 VanDerWaalsContact O-N 3.07Å; G910-M912 VanDerWaalsContact C-N 3.29Å; G910-M912 PolarHBondContact O-N 2.97Å |
| 913 | E | 58.6 | Low | 46.2 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 53% | 0.528 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -73.9 | -40.1 | 178.6 | -165.8 | 118.6 | -109.3 | 0 | 0 | 111.9 | Q909 L915 R916 G917 | Q909-E913 PolarHBondContact O-N 3.01Å; E913-L915 VanDerWaalsContact C-N 3.31Å; E913-L915 PolarHBondContact O-N 3.46Å; E913-R916 WeakPolarHBondContact O-CB 3.28Å; E913-R916 PolarHBondContact O-N 3.47Å; E913-R916 IonicContact OE1-CZ 2.81Å; E913-R916 IonicContact OE1-NH1 3.98Å; E913-R916 PolarHBondContact OE1-NH1 3.4Å; E913-R916 IonicContact OE1-NH2 2.71Å; E913-R916 PolarHBondContact OE1-NH2 3.23Å; E913-G917 PolarHBondContact O-N 3.24Å |
| 914 | E | 56.8 | Low | 46.1 | Very low | 147 Ų | 147 | 128.3 Ų | 128.3 | 69% | 0.687 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -60.1 | -39.2 | 177.1 | -170.5 | 172.5 | -175.1 | 0 | 0 | 112.2 | R916 G917 | E914-R916 VanDerWaalsContact C-N 3.26Å; E914-R916 PolarHBondContact O-N 3.22Å; E914-G917 PolarHBondContact O-N 2.88Å |
| 915 | L | 53.3 | Low | 46.6 | Very low | 149 Ų | 149 | 129.9 Ų | 129.9 | 78% | 0.78 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -18.3 | 174.5 | -91.3 | 164.9 | 0 | 0 | 0 | 114.2 | E913 | E913-L915 VanDerWaalsContact C-N 3.31Å; E913-L915 PolarHBondContact O-N 3.46Å |
| 916 | R | 47.2 | Very low | 46.2 | Very low | 172 Ų | 172 | 133.5 Ų | 133.5 | 65% | 0.649 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -15.9 | 176.1 | -154.9 | 174 | 77.6 | -109.9 | -2 | 112.6 | E913 E914 Q918 | E913-R916 WeakPolarHBondContact O-CB 3.28Å; E913-R916 PolarHBondContact O-N 3.47Å; E913-R916 IonicContact OE1-CZ 2.81Å; E913-R916 IonicContact OE1-NH1 3.98Å; E913-R916 PolarHBondContact OE1-NH1 3.4Å; E913-R916 IonicContact OE1-NH2 2.71Å; E913-R916 PolarHBondContact OE1-NH2 3.23Å; E914-R916 VanDerWaalsContact C-N 3.26Å; E914-R916 PolarHBondContact O-N 3.22Å; R916-Q918 PolarHBondContact O-N 2.9Å |
| 917 | G | 43.3 | Very low | 45.2 | Very low | 64 Ų | 64 | 135.3 Ų | 135.3 | 66% | 0.66 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -11.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | E913 E914 | E913-G917 PolarHBondContact O-N 3.24Å; E914-G917 PolarHBondContact O-N 2.88Å |
| 918 | Q | 40.4 | Very low | 44.3 | Very low | 183 Ų | 183 | 131.4 Ų | 131.4 | 86% | 0.855 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | 12.1 | -176.4 | -71.5 | -173.7 | 71.3 | 0 | 0 | 114.4 | R916 | R916-Q918 PolarHBondContact O-N 2.9Š|
| 919 | L | 43.8 | Very low | 43.3 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 87% | 0.869 | 72% | 0.724 | S | S | * | * | trans | -125 | 49.1 | -179 | -154.9 | 73.1 | 0 | 0 | 0 | 113.2 | ||||
| 920 | A | 34.2 | Very low | 42.4 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 74% | 0.744 | 73% | 0.729 | S | S | * | * | trans | -146.2 | 136 | 164.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 921 | D | 34.3 | Very low | 41.1 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | cis | -155.9 | -149 | 0.8 | -154.6 | 10.5 | 0 | 0 | 0 | 107.5 | ||||
| 922 | P | 44.4 | Very low | 39.7 | Very low | 95 Ų | 95 | 135.7 Ų | 135.7 | 62% | 0.617 | 74% | 0.74 | S | S | * | * | -112.2 | 141.8 | -74.7 | 17.1 | 2.4 | 0 | 0 | 0 | 114.9 | |||||
| 923 | F | 30 | Very low | 38.7 | Very low | 192 Ų | 192 | 138.3 Ų | 138.3 | 84% | 0.842 | 75% | 0.748 | S | S | * | * | trans | 55.3 | 167.5 | 131.3 | -101.4 | -91.4 | 0 | 0 | 0 | 125.3 | ||||
| 924 | V | 29.8 | Very low | 37.2 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | 71.1 | 149.5 | 163.1 | -73.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 925 | P | 50.8 | Low | 36.1 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | -132.6 | -172.3 | -146.4 | 44.2 | -27.2 | 0 | 0 | 0 | 115.2 | ||||
| 926 | M | 30.2 | Very low | 35.4 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 94% | 0.936 | 77% | 0.767 | S | S | * | * | trans | -148.2 | 159.6 | 149.3 | -113.7 | -172 | -58.9 | 0 | 0 | 112.1 | ||||
| 927 | D | 33.8 | Very low | 34.6 | Very low | 146 Ų | 146 | 133.7 Ų | 133.7 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | -112.6 | -163.7 | -177.7 | -147.1 | -42.7 | 0 | 0 | 0 | 110.1 | ||||
| 928 | T | 30.6 | Very low | 33.9 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | 77.6 | 113.1 | -178.3 | 68.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 929 | T | 32.6 | Very low | 33.6 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | 59.7 | 132.7 | 77 | 66.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 930 | D | 30.2 | Very low | 33 | Very low | 133 Ų | 133 | 128 Ų | 128 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | -170.1 | 177 | 50.2 | -142.3 | -50.8 | 0 | 0 | 0 | 113.4 | |||||
| 931 | L | 33.4 | Very low | 33 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | trans | 63.3 | 169.2 | 162.1 | -58.4 | 165.7 | 0 | 0 | 0 | 119.6 | ||||
| 932 | S | 27.3 | Very low | 32.8 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | cis | -169.8 | 129.4 | -47.7 | -172.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 933 | F | 27.5 | Very low | 32.3 | Very low | 194 Ų | 194 | 132.5 Ų | 132.5 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | 27.3 | 140.8 | 156.7 | -75.1 | -88 | 0 | 0 | 0 | 125.1 | ||||
| 934 | S | 27.4 | Very low | 32.4 | Very low | 120 Ų | 120 | 127 Ų | 127 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | 116.2 | 136.1 | 140.7 | -62 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 935 | D | 33.2 | Very low | 32.6 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | -102.2 | 154.7 | 174.9 | -178 | 34.5 | 0 | 0 | 0 | 109.8 | ||||
| 936 | P | 38.8 | Very low | 31.7 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | -145.8 | 150.8 | 129.7 | 37.3 | -22.9 | 0 | 0 | 0 | 116.1 | |||||
| 937 | A | 31.6 | Very low | 31.9 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -84.8 | 160.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 938 | G | 27.7 | Very low | 32.6 | Very low | 73 Ų | 73 | 126.9 Ų | 126.9 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -175.4 | 150.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 939 | S | 34.7 | Very low | 32.7 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | -152.8 | 147.9 | -177.4 | -69.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 940 | A | 31.1 | Very low | 33.3 | Very low | 89 Ų | 89 | 130.7 Ų | 130.7 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | 174.5 | 132.4 | 139.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 941 | L | 34.6 | Very low | 33.8 | Very low | 178 Ų | 178 | 132.4 Ų | 132.4 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | trans | 34.9 | 146.8 | 131.6 | -48.6 | 175.7 | 0 | 0 | 0 | 122.1 | ||||
| 942 | G | 29 | Very low | 34.1 | Very low | 64 Ų | 64 | 127.9 Ų | 127.9 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | cis | 161.1 | 175.3 | -6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 943 | L | 33.9 | Very low | 34.9 | Very low | 182 Ų | 182 | 133.1 Ų | 133.1 | 95% | 0.953 | 80% | 0.802 | S | S | * | * | trans | 75.2 | 154 | 167.4 | -50.9 | 177.4 | 0 | 0 | 0 | 117.9 | ||||
| 944 | A | 33.1 | Very low | 35.8 | Very low | 76 Ų | 76 | 131.3 Ų | 131.3 | 63% | 0.628 | 80% | 0.796 | S | S | * | * | cis | -159.1 | 155.5 | 4.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 945 | L | 32.1 | Very low | 36.3 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | 65.1 | 154.4 | 147.1 | -61 | 166.9 | 0 | 0 | 0 | 120.4 | ||||
| 946 | F | 33.2 | Very low | 36.5 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | cis | -145.6 | 173.3 | 5.6 | -119.2 | -57.5 | 0 | 0 | 0 | 111.5 | ||||
| 947 | D | 34.2 | Very low | 36.3 | Very low | 133 Ų | 133 | 139 Ų | 139 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -114.8 | 161.9 | 179.3 | -176.8 | 42 | 0 | 0 | 0 | 110.9 | ||||
| 948 | P | 49.6 | Very low | 36.3 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | -153.5 | 150.7 | 98.8 | 40 | -21.4 | 0 | 0 | 0 | 118.8 | |||||
| 949 | N | 31.7 | Very low | 37 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | 113.1 | 129 | 131.3 | -144.7 | -6.2 | 0 | 0 | 0 | 118.7 | ||||
| 950 | L | 45.1 | Very low | 36.8 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -151.4 | 132 | -173.8 | -94.6 | 169 | 0 | 0 | 0 | 110.7 | ||||
| 951 | D | 40.6 | Very low | 37 | Very low | 169 Ų | 169 | 141.7 Ų | 141.7 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | trans | -160.9 | 135.8 | 157.7 | -166 | 34 | 0 | 0 | 0 | 109.2 | ||||
| 952 | G | 40.7 | Very low | 37.3 | Very low | 58 Ų | 58 | 139.1 Ų | 139.1 | 60% | 0.598 | 79% | 0.791 | S | S | * | * | cis | -156.6 | 154.4 | -5.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 953 | M | 44 | Very low | 37.6 | Very low | 201 Ų | 201 | 139.7 Ų | 139.7 | 99% | 0.99 | 80% | 0.797 | S | S | * | * | trans | -140.3 | 97.8 | 175.9 | -77.8 | -172.8 | 67.1 | 0 | 0 | 111.8 | ||||
| 954 | E | 44.9 | Very low | 37.7 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -123.3 | 146.7 | 164.6 | 52.2 | 167.1 | -128.2 | 0 | 0 | 107.1 | ||||
| 955 | W | 38.5 | Very low | 37.6 | Very low | 205 Ų | 205 | 138.5 Ų | 138.5 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | cis | -136.7 | 131.8 | 15.2 | -67.6 | 67.3 | 0 | 0 | 0 | 111.4 | ||||
| 956 | L | 37.3 | Very low | 37.6 | Very low | 186 Ų | 186 | 134.5 Ų | 134.5 | 97% | 0.974 | 80% | 0.795 | S | S | * | * | trans | -146.9 | 95.6 | 151.4 | -84.3 | -176 | 0 | 0 | 0 | 108.1 | ||||
| 957 | D | 35.1 | Very low | 37.7 | Very low | 154 Ų | 154 | 134.5 Ų | 134.5 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -125.2 | 149.4 | 174.1 | -162.9 | 1.1 | 0 | 0 | 0 | 110.1 | ||||
| 958 | G | 32.3 | Very low | 37.8 | Very low | 61 Ų | 61 | 134.5 Ų | 134.5 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | trans | 156.7 | 95.1 | -163.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 959 | P | 41.3 | Very low | 37 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -79.1 | 143.1 | -158.8 | 28.5 | -35.8 | 0 | 0 | 0 | 114.2 | ||||
| 960 | T | 30.3 | Very low | 36.9 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -150 | 109.6 | 157.3 | -63.3 | 0 | 0 | 0 | 0 | 108.8 | P962 | T960-P962 WeakPolarHBondContact O-CD 3.36Š| ||
| 961 | T | 36.6 | Very low | 36 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -92.4 | 123.4 | -178.9 | 45.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 962 | P | 40.1 | Very low | 35.7 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -98.6 | 138 | 152 | 34.8 | -28.1 | 0 | 0 | 0 | 110.5 | T960 | T960-P962 WeakPolarHBondContact O-CD 3.36Š| ||
| 963 | G | 35.7 | Very low | 35.2 | Very low | 76 Ų | 76 | 141.9 Ų | 141.9 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | -105.6 | 164.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 964 | P | 36 | Very low | 35.1 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | -106.3 | 164.1 | 171.2 | 38.3 | -30.9 | 0 | 0 | 0 | 113.8 | ||||
| 965 | A | 31.4 | Very low | 34.5 | Very low | 98 Ų | 98 | 138 Ų | 138 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -94 | 168.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 966 | G | 30.4 | Very low | 34.1 | Very low | 61 Ų | 61 | 135 Ų | 135 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | cis | 161.7 | -171.3 | -3.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 967 | F | 36.5 | Very low | 34 | Very low | 191 Ų | 191 | 134.7 Ų | 134.7 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | 67.9 | 164.4 | 176.2 | -52.1 | -72.5 | 0 | 0 | 0 | 115 | ||||
| 968 | P | 37 | Very low | 33.9 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | cis | -97.5 | -175.8 | 44.3 | 38.5 | -39.5 | 0 | 0 | 0 | 115.4 | ||||
| 969 | A | 32.8 | Very low | 34.2 | Very low | 87 Ų | 87 | 141 Ų | 141 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | trans | -146 | 138.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 970 | E | 29.6 | Very low | 33.7 | Very low | 195 Ų | 195 | 143.3 Ų | 143.3 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -166.9 | 116 | 158.8 | -130.3 | 175.9 | -163.6 | 0 | 0 | 111.7 | ||||
| 971 | F | 25.8 | Very low | 33.8 | Very low | 204 Ų | 204 | 146.2 Ų | 146.2 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | -168.1 | 147.3 | 128.9 | -155.6 | -105.7 | 0 | 0 | 0 | 109.5 | |||||
| 972 | L | 34 | Very low | 33.9 | Very low | 140 Ų | 140 | 151 Ų | 151 | 73% | 0.733 | 84% | 0.835 | S | S | * | * | trans | -112.9 | 141.5 | 174.9 | -78.7 | 129.2 | 0 | 0 | 0 | 109.4 | ||||
| 973 | E | 30.3 | Very low | 33.6 | Very low | 185 Ų | 185 | 152.3 Ų | 152.3 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | -172.2 | 159.4 | 109.9 | -95.7 | -146.9 | 101.9 | 0 | 0 | 111.4 | |||||
| 974 | P | 40.7 | Very low | 33.5 | Very low | 97 Ų | 97 | 156.3 Ų | 156.3 | 63% | 0.63 | 84% | 0.839 | S | S | * | * | trans | -98.4 | 160.5 | -170.2 | 38.2 | -34.3 | 0 | 0 | 0 | 113.1 | ||||
| 975 | H | 32.5 | Very low | 33.4 | Very low | 181 Ų | 181 | 157.6 Ų | 157.6 | 84% | 0.838 | 84% | 0.837 | S | S | * | * | trans | -150.6 | 149.8 | 148 | -111.9 | -76.6 | 0 | 0 | 0 | 112.9 | ||||
| 976 | D | 29.9 | Very low | 33.5 | Very low | 140 Ų | 140 | 161.1 Ų | 161.1 | 75% | 0.749 | 84% | 0.839 | S | S | * | * | trans | 59.4 | 107.4 | 162.1 | -62.2 | 3.3 | 0 | 0 | 0 | 120.5 | ||||
| 977 | M | 36.3 | Very low | 33.7 | Very low | 180 Ų | 180 | 167.3 Ų | 167.3 | 89% | 0.887 | 85% | 0.852 | S | S | * | * | trans | -63.5 | 141 | 149.2 | -56.4 | 165.6 | -78.2 | 0 | 0 | 109.8 | ||||
| 978 | Q | 32.6 | Very low | 33.5 | Very low | 197 Ų | 197 | 165.7 Ų | 165.7 | 92% | 0.921 | 85% | 0.853 | S | S | * | * | -156.4 | 138.9 | 124.8 | -117.5 | 167.9 | 6.7 | 0 | 0 | 113.1 | |||||
| 979 | L | 38.9 | Very low | 33.2 | Very low | 151 Ų | 151 | 168.1 Ų | 168.1 | 79% | 0.791 | 85% | 0.853 | S | S | * | * | trans | -77.1 | 149.7 | 163.9 | -68 | 160.4 | 0 | 0 | 0 | 108.8 | ||||
| 980 | N | 30.9 | Very low | 33.3 | Very low | 165 Ų | 165 | 174.4 Ų | 174.4 | 88% | 0.882 | 86% | 0.863 | S | S | * | * | -155.9 | 151.2 | 124.8 | -107.1 | -13.5 | 0 | 0 | 0 | 111.7 | |||||
| 981 | F | 32.1 | Very low | 33.6 | Very low | 196 Ų | 196 | 172.7 Ų | 172.7 | 86% | 0.86 | 86% | 0.859 | S | S | * | * | trans | -84.9 | 150.1 | 164.8 | -83 | -111 | 0 | 0 | 0 | 109.6 | ||||
| 982 | D | 38.9 | Very low | 34.3 | Very low | 236 Ų | 236 | 169.8 Ų | 169.8 | 100% | 1.262 | 86% | 0.856 | S | S | * | * | trans | -144.1 | 0 | 136 | -150.5 | 3 | 0 | 0 | 0 | 106.5 |
Retrieved 982 of 982 residues in 487 ms
(Link to these results)