| 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 | 40.4 | Very low | 40.3 | Very low | 230 Ų | 230 | 135 Ų | 135 | 100% | 1.133 | 82% | 0.817 | S | S | * | * | 0 | 103.4 | 0 | -56.7 | 179.3 | 92.8 | 0 | 0 | 102.1 | |||||
| 2 | D | 33.6 | Very low | 40.3 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 81% | 0.807 | 82% | 0.818 | S | S | * | * | cis | -157.6 | 157.6 | 40.2 | -45.5 | -45.1 | 0 | 0 | 0 | 110.6 | ||||
| 3 | S | 46.3 | Very low | 39.9 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | trans | -77.5 | 179.8 | 179.9 | -56.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 4 | T | 45.6 | Very low | 39.7 | Very low | 138 Ų | 138 | 147.7 Ų | 147.7 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | trans | 94.9 | 131.8 | 163.9 | 80.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 5 | S | 44.1 | Very low | 40 | Very low | 103 Ų | 103 | 146.3 Ų | 146.3 | 72% | 0.72 | 82% | 0.818 | S | S | * | * | cis | -166.2 | 149 | 26.7 | 42.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 6 | S | 40.6 | Very low | 39.6 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 55.1 | 107.9 | 132.1 | -54.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 7 | L | 42.2 | Very low | 40.1 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | 78.6 | 101.2 | 88.4 | -81.8 | 160 | 0 | 0 | 0 | 115.3 | |||||
| 8 | H | 38.5 | Very low | 39.9 | Very low | 201 Ų | 201 | 143 Ų | 143 | 93% | 0.931 | 80% | 0.803 | S | S | * | * | -160.6 | 114.6 | 127 | -143.2 | 68.1 | 0 | 0 | 0 | 106.2 | |||||
| 9 | G | 35.9 | Very low | 40.3 | Very low | 61 Ų | 61 | 146.4 Ų | 146.4 | 63% | 0.629 | 81% | 0.811 | S | S | * | * | 134.1 | 98.2 | 84.1 | 0 | 0 | 0 | 0 | 0 | 106 | |||||
| 10 | S | 40.8 | Very low | 40 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | -58.2 | 134.8 | 175.7 | 49.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 11 | S | 35.3 | Very low | 39.9 | Very low | 118 Ų | 118 | 149 Ų | 149 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | -148.8 | 122.5 | 126.7 | -165.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 12 | F | 40.8 | Very low | 40.1 | Very low | 189 Ų | 189 | 143.3 Ų | 143.3 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -49.4 | 131.5 | 174.9 | -68.4 | -99 | 0 | 0 | 0 | 111.4 | ||||
| 13 | H | 34.4 | Very low | 40.4 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | trans | -123.5 | 102.7 | 147.1 | -131.6 | -66.4 | 0 | 0 | 0 | 109.6 | ||||
| 14 | R | 36.8 | Very low | 40.3 | Very low | 217 Ų | 217 | 145.9 Ų | 145.9 | 82% | 0.819 | 79% | 0.787 | S | S | * | * | trans | -57.4 | 145.2 | 158.8 | -171.6 | 175.2 | -173.3 | 166.1 | 1.4 | 108.3 | S16 | R14-S16 PolarHBondContact O-N 3.15Š| ||
| 15 | P | 45 | Very low | 40.2 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -73.4 | 119.2 | -173 | 29.8 | -32.4 | 0 | 0 | 0 | 109.1 | ||||
| 16 | S | 33.8 | Very low | 40.3 | Very low | 86 Ų | 86 | 147.3 Ų | 147.3 | 60% | 0.601 | 77% | 0.772 | S | S | * | * | trans | -117.2 | 115.6 | 164.8 | -162.7 | 0 | 0 | 0 | 0 | 107.5 | R14 E18 | R14-S16 PolarHBondContact O-N 3.15Å; S16-E18 VanDerWaalsContact C-N 3.32Å; S16-E18 PolarHBondContact O-N 2.76Å | ||
| 17 | T | 47.5 | Very low | 40.8 | Very low | 141 Ų | 141 | 148.4 Ų | 148.4 | 87% | 0.865 | 77% | 0.769 | S | S | * | * | trans | -64.3 | 85.8 | 172.7 | 45.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 18 | E | 36.8 | Very low | 40.9 | Very low | 153 Ų | 153 | 144 Ų | 144 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | trans | -136.4 | 89.5 | 168.4 | -67.7 | -162.2 | 153.4 | 0 | 0 | 109.6 | S16 T20 | S16-E18 VanDerWaalsContact C-N 3.32Å; S16-E18 PolarHBondContact O-N 2.76Å; E18-T20 PolarHBondContact O-N 3.25Å; E18-T20 PolarHBondContact O-OG1 3.36Å; E18-T20 VanDerWaalsContact O-OG1 3.06Å | ||
| 19 | Q | 47.3 | Very low | 41.3 | Very low | 207 Ų | 207 | 139.7 Ų | 139.7 | 97% | 0.967 | 75% | 0.746 | S | S | * | * | 10.9 | 74 | 128.2 | -142.8 | 169.8 | 54.4 | 0 | 0 | 115.9 | |||||
| 20 | T | 33.6 | Very low | 41.9 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -105.8 | 96.7 | 168.8 | -0.6 | 0 | 0 | 0 | 0 | 110 | E18 T22 | E18-T20 PolarHBondContact O-N 3.25Å; E18-T20 PolarHBondContact O-OG1 3.36Å; E18-T20 VanDerWaalsContact O-OG1 3.06Å; T20-T22 PolarHBondContact O-N 3.38Å | ||
| 21 | R | 38.3 | Very low | 42.2 | Very low | 218 Ų | 218 | 145.5 Ų | 145.5 | 82% | 0.823 | 75% | 0.753 | S | S | * | * | trans | 37 | 86.9 | 134.7 | -162.9 | 178.4 | -169.6 | -120.4 | 5 | 114.3 | D23 | R21-D23 PolarHBondContact O-N 3.02Š| ||
| 22 | T | 44.9 | Very low | 42.7 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | trans | -61.5 | 99.9 | 149 | 48.1 | 0 | 0 | 0 | 0 | 106.5 | T20 F24 | T20-T22 PolarHBondContact O-N 3.38Å; T22-F24 PolarHBondContact O-N 3.44Å | ||
| 23 | D | 39.7 | Very low | 42.9 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | -47.6 | 87.9 | 150.9 | 49 | -34.8 | 0 | 0 | 0 | 108.7 | R21 S25 | R21-D23 PolarHBondContact O-N 3.02Å; D23-S25 PolarHBondContact O-N 3.14Å | ||
| 24 | F | 44.4 | Very low | 43.8 | Very low | 180 Ų | 180 | 138.3 Ų | 138.3 | 79% | 0.789 | 72% | 0.717 | S | S | * | * | trans | -61 | 88.2 | 162.1 | -98.2 | -92.2 | 0 | 0 | 0 | 106.9 | T22 W26 | T22-F24 PolarHBondContact O-N 3.44Å; F24-W26 PolarHBondContact O-N 2.97Å | ||
| 25 | S | 43.7 | Very low | 44.3 | Very low | 69 Ų | 69 | 134 Ų | 134 | 48% | 0.483 | 71% | 0.711 | S | S | . | * | trans | -66.4 | 123.1 | 167.6 | -173.5 | 0 | 0 | 0 | 0 | 107.9 | D23 D27 G28 | D23-S25 PolarHBondContact O-N 3.14Å; S25-D27 PolarHBondContact O-N 2.91Å; S25-D27 VanDerWaalsContact O-N 3.15Å; S25-D27 WeakPolarHBondContact OG-CB 3.04Å; S25-D27 VanDerWaalsContact OG-CG 3.26Å; S25-D27 PolarHBondContact OG-N 3.4Å; S25-D27 PolarHBondContact OG-OD2 3.05Å; S25-G28 PolarHBondContact O-N 2.83Å | ||
| 26 | W | 46.4 | Very low | 44.3 | Very low | 202 Ų | 202 | 131.1 Ų | 131.1 | 77% | 0.765 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -68.8 | -1.2 | 173.2 | -74.8 | 94.3 | 0 | 0 | 0 | 112.6 | F24 G28 I29 | F24-W26 PolarHBondContact O-N 2.97Å; W26-G28 PolarHBondContact O-N 3.44Å; W26-I29 HydrophobicContact CE3-CD1 3.5Å; W26-I29 HydrophobicContact CE3-CG1 3.93Å; W26-I29 HydrophobicContact CZ3-CD1 3.83Å; W26-I29 WeakPolarHBondContact O-CG1 3.48Å; W26-I29 PolarHBondContact O-N 3.47Å |
| 27 | D | 50.7 | Low | 45.2 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 68% | 0.679 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -67 | -19.9 | 174.9 | -61.3 | -33.7 | 0 | 0 | 0 | 112.8 | S25 | S25-D27 PolarHBondContact O-N 2.91Å; S25-D27 VanDerWaalsContact O-N 3.15Å; S25-D27 WeakPolarHBondContact OG-CB 3.04Å; S25-D27 VanDerWaalsContact OG-CG 3.26Å; S25-D27 PolarHBondContact OG-N 3.4Å; S25-D27 PolarHBondContact OG-OD2 3.05Å |
| 28 | G | 44.6 | Very low | 45.2 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 72% | 0.722 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -81.1 | -6.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | S25 W26 | S25-G28 PolarHBondContact O-N 2.83Å; W26-G28 PolarHBondContact O-N 3.44Å |
| 29 | I | 47.7 | Very low | 46.1 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 56% | 0.564 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -97.5 | 8.8 | 173.1 | 60.6 | 151.8 | 0 | 0 | 0 | 113.2 | W26 L31 | W26-I29 HydrophobicContact CE3-CD1 3.5Å; W26-I29 HydrophobicContact CE3-CG1 3.93Å; W26-I29 HydrophobicContact CZ3-CD1 3.83Å; W26-I29 WeakPolarHBondContact O-CG1 3.48Å; W26-I29 PolarHBondContact O-N 3.47Å; I29-L31 PolarHBondContact O-N 3.26Å |
| 30 | N | 46.8 | Very low | 46.2 | Very low | 135 Ų | 135 | 125.6 Ų | 125.6 | 72% | 0.722 | 67% | 0.67 | S | S | * | * | trans | -67.6 | 78.1 | 157 | -85.9 | -68.5 | 0 | 0 | 0 | 107.9 | S32 | N30-S32 PolarHBondContact O-N 2.95Š| ||
| 31 | L | 48.2 | Very low | 46.9 | Very low | 158 Ų | 158 | 125.2 Ų | 125.2 | 83% | 0.827 | 67% | 0.67 | S | S | * | * | trans | -57.5 | 100.5 | 155 | -70.3 | 164.7 | 0 | 0 | 0 | 105.2 | I29 M33 | I29-L31 PolarHBondContact O-N 3.26Å; L31-M33 PolarHBondContact O-N 3.02Å | ||
| 32 | S | 45.2 | Very low | 47.5 | Very low | 55 Ų | 55 | 124.7 Ų | 124.7 | 39% | 0.385 | 67% | 0.674 | S | S | . | * | trans | -38.5 | 107.7 | 160.6 | 162.1 | 0 | 0 | 0 | 0 | 107.5 | N30 E34 | N30-S32 PolarHBondContact O-N 2.95Å; S32-E34 VanDerWaalsContact CB-OE2 3.26Å; S32-E34 WeakPolarHBondContact CB-OE2 3.35Å; S32-E34 PolarHBondContact O-N 2.99Å; S32-E34 PolarHBondContact OG-OE2 3.38Å | ||
| 33 | M | 45 | Very low | 47.7 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 70% | 0.695 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -77.2 | 3.5 | 179.5 | -160.2 | 120.6 | -163.2 | 0 | 0 | 110.5 | L31 D35 T36 | L31-M33 PolarHBondContact O-N 3.02Å; M33-D35 VanDerWaalsContact C-N 3.28Å; M33-D35 PolarHBondContact O-N 3.32Å; M33-T36 PolarHBondContact O-OG1 3.27Å |
| 34 | E | 52.7 | Low | 48.2 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 64% | 0.64 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -68.5 | -25.8 | 179.1 | -59.3 | 86.6 | -114 | 0 | 0 | 112.3 | S32 T37 | S32-E34 VanDerWaalsContact CB-OE2 3.26Å; S32-E34 WeakPolarHBondContact CB-OE2 3.35Å; S32-E34 PolarHBondContact O-N 2.99Å; S32-E34 PolarHBondContact OG-OE2 3.38Å; E34-T37 PolarHBondContact O-OG1 3.22Å |
| 35 | D | 47.4 | Very low | 48.6 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 68% | 0.679 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -83.7 | -17 | -175.9 | -85.5 | -14.1 | 0 | 0 | 0 | 115.2 | M33 T37 S38 | M33-D35 VanDerWaalsContact C-N 3.28Å; M33-D35 PolarHBondContact O-N 3.32Å; D35-T37 VanDerWaalsContact C-N 3.26Å; D35-T37 PolarHBondContact O-N 3.4Å; D35-S38 PolarHBondContact O-OG 2.98Å |
| 36 | T | 46.3 | Very low | 49 | Very low | 64 Ų | 64 | 134.7 Ų | 134.7 | 39% | 0.393 | 70% | 0.699 | S | S | . | * | G | 310 helix | trans | -80.5 | -5.7 | -177.5 | 59.8 | 0 | 0 | 0 | 0 | 114 | M33 S38 I39 | M33-T36 PolarHBondContact O-OG1 3.27Å; T36-S38 PolarHBondContact O-N 3.06Å; T36-I39 PolarHBondContact O-N 3.09Å |
| 37 | T | 51.9 | Low | 49.4 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 68% | 0.675 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -68.4 | -13 | 175.2 | 62.7 | 0 | 0 | 0 | 0 | 113.7 | E34 D35 | E34-T37 PolarHBondContact O-OG1 3.22Å; D35-T37 VanDerWaalsContact C-N 3.26Å; D35-T37 PolarHBondContact O-N 3.4Å |
| 38 | S | 48 | Very low | 49.7 | Very low | 100 Ų | 100 | 130 Ų | 130 | 70% | 0.699 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -84 | -22.3 | 178 | 63.9 | 0 | 0 | 0 | 0 | 113.9 | D35 T36 | D35-S38 PolarHBondContact O-OG 2.98Å; T36-S38 PolarHBondContact O-N 3.06Å |
| 39 | I | 54.7 | Low | 50.3 | Low | 135 Ų | 135 | 130.6 Ų | 130.6 | 69% | 0.692 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -20.1 | -171.1 | -57.9 | 176.7 | 0 | 0 | 0 | 112.4 | T36 | T36-I39 PolarHBondContact O-N 3.09Š|
| 40 | L | 50.7 | Low | 50.9 | Low | 126 Ų | 126 | 134.4 Ų | 134.4 | 66% | 0.66 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -106.5 | 127.4 | 179.7 | -63.8 | 174 | 0 | 0 | 0 | 110.5 | K42 | L40-K42 PolarHBondContact O-N 3.41Š|
| 41 | P | 47.8 | Very low | 51.7 | Low | 124 Ų | 124 | 129.3 Ų | 129.3 | 81% | 0.805 | 68% | 0.684 | S | S | * | * | trans | -60.7 | 103.7 | 172.2 | -5 | 13.8 | 0 | 0 | 0 | 108.9 | L43 | P41-L43 VanDerWaalsContact C-N 3.3Å; P41-L43 PolarHBondContact O-N 2.87Å | ||
| 42 | K | 51.8 | Low | 52 | Low | 206 Ų | 206 | 129.2 Ų | 129.2 | 90% | 0.896 | 68% | 0.683 | S | S | * | * | trans | 8.4 | 68.3 | 169.3 | -69.6 | 176.9 | 174.5 | 161.7 | 0 | 114.9 | L40 K44 | L40-K42 PolarHBondContact O-N 3.41Å; K42-K44 PolarHBondContact O-N 3.18Å | ||
| 43 | L | 47.6 | Very low | 52.9 | Low | 156 Ų | 156 | 128.9 Ų | 128.9 | 82% | 0.817 | 69% | 0.688 | S | S | * | * | trans | -77.6 | 101.2 | 168.9 | -158.5 | 73.2 | 0 | 0 | 0 | 106.8 | P41 R45 | P41-L43 VanDerWaalsContact C-N 3.3Å; P41-L43 PolarHBondContact O-N 2.87Å; L43-R45 PolarHBondContact O-N 3.49Å | ||
| 44 | K | 50.6 | Low | 53.7 | Low | 191 Ų | 191 | 124 Ų | 124 | 83% | 0.83 | 67% | 0.67 | S | S | * | * | trans | -42.5 | 112.1 | 175.4 | -178.9 | -178.4 | 175.3 | -175.1 | 0 | 109.4 | K42 N46 | K42-K44 PolarHBondContact O-N 3.18Å; K44-N46 PolarHBondContact O-N 3.35Å | ||
| 45 | R | 53.2 | Low | 54.3 | Low | 235 Ų | 235 | 121.5 Ų | 121.5 | 89% | 0.887 | 66% | 0.661 | S | S | * | * | trans | -53 | 100.2 | 178.9 | -60.5 | -178.9 | -140.7 | 85.7 | 1 | 110.4 | L43 | L43-R45 PolarHBondContact O-N 3.49Š| ||
| 46 | N | 51.4 | Low | 54.9 | Low | 120 Ų | 120 | 119 Ų | 119 | 64% | 0.642 | 66% | 0.657 | S | S | * | * | trans | -111.2 | 92.6 | 153.9 | 56.2 | 0.9 | 0 | 0 | 0 | 106.5 | K44 N48 | K44-N46 PolarHBondContact O-N 3.35Å; N46-N48 PolarHBondContact O-N 2.89Å | ||
| 47 | S | 56 | Low | 55.3 | Low | 126 Ų | 126 | 123.5 Ų | 123.5 | 88% | 0.881 | 67% | 0.672 | S | S | * | * | trans | -66.4 | 83.6 | 176.2 | 53.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 48 | N | 55.5 | Low | 55.3 | Low | 105 Ų | 105 | 122 Ų | 122 | 56% | 0.561 | 67% | 0.666 | S | S | * | * | trans | -72.8 | 143.7 | 165.9 | -99.4 | -55.1 | 0 | 0 | 0 | 108.8 | N46 Y50 G51 | N46-N48 PolarHBondContact O-N 2.89Å; N48-Y50 PolarHBondContact O-N 3Å; N48-G51 PolarHBondContact O-N 3.11Å | ||
| 49 | A | 58.4 | Low | 55.7 | Low | 82 Ų | 82 | 121.5 Ų | 121.5 | 68% | 0.678 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -17.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A54 | A49-A54 WeakPolarHBondContact O-CB 3.14Š|
| 50 | Y | 58.8 | Low | 55.5 | Low | 190 Ų | 190 | 123.1 Ų | 123.1 | 75% | 0.745 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | 9.8 | 176.7 | -57.5 | -81.8 | 0 | 0 | 0 | 113.8 | N48 L55 | N48-Y50 PolarHBondContact O-N 3Å; Y50-L55 VanDerWaalsContact O-CD1 3.3Å; Y50-L55 WeakPolarHBondContact O-CD1 3.15Å |
| 51 | G | 63.6 | Low | 55.6 | Low | 27 Ų | 27 | 123 Ų | 123 | 28% | 0.278 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -62.3 | 147.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | N48 G53 A54 L55 | N48-G51 PolarHBondContact O-N 3.11Å; G51-G53 PolarHBondContact O-N 3.3Å; G51-A54 WeakPolarHBondContact O-CA 3.05Å; G51-A54 WeakPolarHBondContact O-CB 3.3Å; G51-A54 PolarHBondContact O-N 3.26Å; G51-L55 PolarHBondContact O-N 3.36Å |
| 52 | I | 56.1 | Low | 55.7 | Low | 156 Ų | 156 | 119.9 Ų | 119.9 | 80% | 0.8 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -46.2 | -41.2 | 179.2 | -88.5 | 160.3 | 0 | 0 | 0 | 112.7 | A56 | I52-A56 VanDerWaalsContact O-CB 3.3Å; I52-A56 WeakPolarHBondContact O-CB 3.29Å; I52-A56 PolarHBondContact O-N 3.03Å |
| 53 | G | 62.4 | Low | 55.6 | Low | 49 Ų | 49 | 114.4 Ų | 114.4 | 51% | 0.505 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -70.3 | -28.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G51 K57 | G51-G53 PolarHBondContact O-N 3.3Å; G53-K57 WeakPolarHBondContact O-CB 3.44Å; G53-K57 WeakPolarHBondContact O-CD 3.26Å; G53-K57 VanDerWaalsContact O-CG 3.23Å; G53-K57 WeakPolarHBondContact O-CG 3.3Å; G53-K57 PolarHBondContact O-N 3.46Å |
| 54 | A | 62.7 | Low | 55.8 | Low | 37 Ų | 37 | 110 Ų | 110 | 31% | 0.306 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -76 | -41.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A49 G51 K57 S58 | A49-A54 WeakPolarHBondContact O-CB 3.14Å; G51-A54 WeakPolarHBondContact O-CA 3.05Å; G51-A54 WeakPolarHBondContact O-CB 3.3Å; G51-A54 PolarHBondContact O-N 3.26Å; A54-K57 CarbonylContact O-C 3.59Å; A54-K57 PolarHBondContact O-N 2.75Å; A54-S58 PolarHBondContact O-N 2.74Å; A54-S58 PolarHBondContact O-OG 3.43Å |
| 55 | L | 65.6 | Low | 56 | Low | 86 Ų | 86 | 111.6 Ų | 111.6 | 45% | 0.45 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.5 | -41.6 | 176.7 | -66.4 | 176 | 0 | 0 | 0 | 112.2 | Y50 G51 K57 S58 | Y50-L55 VanDerWaalsContact O-CD1 3.3Å; Y50-L55 WeakPolarHBondContact O-CD1 3.15Å; G51-L55 PolarHBondContact O-N 3.36Å; L55-K57 PolarHBondContact O-N 3.21Å; L55-S58 WeakPolarHBondContact CA-OG 3.31Å; L55-S58 PolarHBondContact O-N 3.31Å; L55-S58 PolarHBondContact O-OG 3.25Å |
| 56 | A | 58.8 | Low | 55.8 | Low | 73 Ų | 73 | 104 Ų | 104 | 60% | 0.603 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -61.5 | -34.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | I52 | I52-A56 VanDerWaalsContact O-CB 3.3Å; I52-A56 WeakPolarHBondContact O-CB 3.29Å; I52-A56 PolarHBondContact O-N 3.03Å |
| 57 | K | 55 | Low | 55.8 | Low | 159 Ų | 159 | 103.3 Ų | 103.3 | 69% | 0.691 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -79.7 | -27.9 | 176.8 | -73.4 | 176.7 | 66.6 | -87.6 | 0 | 113.8 | G53 A54 L55 S59 | G53-K57 WeakPolarHBondContact O-CB 3.44Å; G53-K57 WeakPolarHBondContact O-CD 3.26Å; G53-K57 VanDerWaalsContact O-CG 3.23Å; G53-K57 WeakPolarHBondContact O-CG 3.3Å; G53-K57 PolarHBondContact O-N 3.46Å; A54-K57 CarbonylContact O-C 3.59Å; A54-K57 PolarHBondContact O-N 2.75Å; L55-K57 PolarHBondContact O-N 3.21Å; K57-S59 VanDerWaalsContact C-N 3.29Å; K57-S59 PolarHBondContact O-N 3.05Å |
| 58 | S | 52.8 | Low | 55.7 | Low | 80 Ų | 80 | 105.1 Ų | 105.1 | 56% | 0.559 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.7 | -22.8 | -177.9 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | A54 L55 | A54-S58 PolarHBondContact O-N 2.74Å; A54-S58 PolarHBondContact O-OG 3.43Å; L55-S58 WeakPolarHBondContact CA-OG 3.31Å; L55-S58 PolarHBondContact O-N 3.31Å; L55-S58 PolarHBondContact O-OG 3.25Å |
| 59 | S | 55.7 | Low | 55.7 | Low | 89 Ų | 89 | 106.7 Ų | 106.7 | 62% | 0.622 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -10.1 | 178.8 | -79.1 | 0 | 0 | 0 | 0 | 115.6 | K57 | K57-S59 VanDerWaalsContact C-N 3.29Å; K57-S59 PolarHBondContact O-N 3.05Å |
| 60 | F | 51.8 | Low | 55.5 | Low | 168 Ų | 168 | 107.7 Ų | 107.7 | 74% | 0.737 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -23.5 | -173.1 | -164.6 | -106 | 0 | 0 | 0 | 114.7 | G62 | F60-G62 VanDerWaalsContact C-N 3.28Š|
| 61 | S | 52.1 | Low | 55.3 | Low | 124 Ų | 124 | 103.7 Ų | 103.7 | 87% | 0.867 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -84 | -1.2 | 172.1 | -71.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 62 | G | 49 | Very low | 55 | Low | 58 Ų | 58 | 104.1 Ų | 104.1 | 60% | 0.598 | 59% | 0.588 | S | S | * | * | trans | -100.4 | -6.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | F60 S64 | F60-G62 VanDerWaalsContact C-N 3.28Å; G62-S64 VanDerWaalsContact C-N 3.32Å; G62-S64 PolarHBondContact O-N 3.26Å | ||
| 63 | I | 50.6 | Low | 55 | Low | 91 Ų | 91 | 105.2 Ų | 105.2 | 47% | 0.467 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -68.5 | 97.6 | 167.2 | -80.2 | 102.7 | 0 | 0 | 0 | 107.1 | M67 | I63-M67 HydrophobicContact CB-CE 4.39Å; I63-M67 HydrophobicContact CG1-CE 3.56Å; I63-M67 HydrophobicContact CG2-CB 4.1Å; I63-M67 HydrophobicContact CG2-CE 4.25Å |
| 64 | S | 52 | Low | 54.5 | Low | 63 Ų | 63 | 106.9 Ų | 106.9 | 44% | 0.441 | 59% | 0.588 | S | S | . | * | trans | -58.5 | 149.8 | 177.2 | 81.5 | 0 | 0 | 0 | 0 | 109.4 | G62 S66 M67 | G62-S64 VanDerWaalsContact C-N 3.32Å; G62-S64 PolarHBondContact O-N 3.26Å; S64-S66 PolarHBondContact O-N 3.07Å; S64-S66 VanDerWaalsContact OG-CB 3.3Å; S64-S66 WeakPolarHBondContact OG-CB 3.4Å; S64-S66 PolarHBondContact OG-N 2.72Å; S64-M67 PolarHBondContact O-N 3.49Å | ||
| 65 | R | 54.5 | Low | 54.2 | Low | 226 Ų | 226 | 108.1 Ų | 108.1 | 85% | 0.853 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -47.9 | -25.4 | 172.3 | -52.4 | 179.6 | -77 | -94.4 | 5.6 | 112.3 | K68 | R65-K68 PolarHBondContact O-N 2.84Å |
| 66 | S | 50 | Low | 53.8 | Low | 76 Ų | 76 | 108.2 Ų | 108.2 | 53% | 0.531 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.1 | -33.3 | 177.6 | -157.4 | 0 | 0 | 0 | 0 | 114 | S64 K68 H70 | S64-S66 PolarHBondContact O-N 3.07Å; S64-S66 VanDerWaalsContact OG-CB 3.3Å; S64-S66 WeakPolarHBondContact OG-CB 3.4Å; S64-S66 PolarHBondContact OG-N 2.72Å; S66-K68 VanDerWaalsContact C-N 3.33Å; S66-H70 PolarHBondContact O-CD2 2.91Å; S66-H70 PolarHBondContact O-NE2 2.9Å |
| 67 | M | 51.2 | Low | 53.6 | Low | 104 Ų | 104 | 109.9 Ų | 109.9 | 51% | 0.512 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -76.1 | -24 | 176.2 | -87.9 | 172.6 | 50.8 | 0 | 0 | 112.4 | I63 S64 D69 H70 V71 | I63-M67 HydrophobicContact CB-CE 4.39Å; I63-M67 HydrophobicContact CG1-CE 3.56Å; I63-M67 HydrophobicContact CG2-CB 4.1Å; I63-M67 HydrophobicContact CG2-CE 4.25Å; S64-M67 PolarHBondContact O-N 3.49Å; M67-D69 VanDerWaalsContact C-N 3.29Å; M67-D69 PolarHBondContact O-N 2.96Å; M67-H70 PolarHBondContact O-N 3.23Å; M67-V71 WeakPolarHBondContact O-CG2 3.42Å; M67-V71 PolarHBondContact O-N 2.99Å |
| 68 | K | 54.1 | Low | 53.5 | Low | 164 Ų | 164 | 105.3 Ų | 105.3 | 71% | 0.713 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.1 | -28.9 | -178.2 | -175.6 | 171.2 | 173.8 | -178.6 | 0 | 113.1 | R65 S66 | R65-K68 PolarHBondContact O-N 2.84Å; S66-K68 VanDerWaalsContact C-N 3.33Å |
| 69 | D | 53.9 | Low | 53.5 | Low | 139 Ų | 139 | 109.6 Ų | 109.6 | 74% | 0.743 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -7.9 | 179 | -80 | -7.2 | 0 | 0 | 0 | 113.7 | M67 | M67-D69 VanDerWaalsContact C-N 3.29Å; M67-D69 PolarHBondContact O-N 2.96Å |
| 70 | H | 55 | Low | 53.4 | Low | 102 Ų | 102 | 109.1 Ų | 109.1 | 47% | 0.472 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -109.3 | -0.2 | -179.6 | -58.7 | -49.7 | 0 | 0 | 0 | 113.5 | S66 M67 T72 | S66-H70 PolarHBondContact O-CD2 2.91Å; S66-H70 PolarHBondContact O-NE2 2.9Å; M67-H70 PolarHBondContact O-N 3.23Å; H70-T72 PolarHBondContact O-N 3.34Å |
| 71 | V | 54.9 | Low | 53.6 | Low | 107 Ų | 107 | 108.6 Ų | 108.6 | 65% | 0.648 | 61% | 0.614 | S | S | * | * | trans | -87.7 | 100.5 | 173.3 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | M67 | M67-V71 WeakPolarHBondContact O-CG2 3.42Å; M67-V71 PolarHBondContact O-N 2.99Å | ||
| 72 | T | 56 | Low | 54 | Low | 36 Ų | 36 | 107 Ų | 107 | 22% | 0.221 | 60% | 0.599 | C | S | . | * | P | Polyproline II helix | trans | -57.3 | 141.4 | 172.2 | 0.8 | 0 | 0 | 0 | 0 | 110.2 | H70 M85 E87 | H70-T72 PolarHBondContact O-N 3.34Å; T72-M85 VanDerWaalsContact CB-O 3.3Å; T72-M85 WeakPolarHBondContact CB-O 3.24Å; T72-M85 PolarHBondContact OG1-O 3.06Å; T72-E87 HydrophobicContact CG2-CG 3.98Å; T72-E87 WeakPolarHBondContact CG2-OE1 3.42Å; T72-E87 PolarHBondContact OG1-N 2.99Å |
| 73 | K | 56 | Low | 54.5 | Low | 179 Ų | 179 | 106.2 Ų | 106.2 | 78% | 0.778 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 145.6 | 174.4 | -67.8 | -174.3 | 178.2 | 178.9 | 0 | 109.9 | T75 | K73-T75 PolarHBondContact O-N 3.47Š|
| 74 | P | 53.5 | Low | 54.7 | Low | 83 Ų | 83 | 109 Ų | 109 | 54% | 0.539 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 116.9 | 176.5 | 21.7 | -30.6 | 0 | 0 | 0 | 109.9 | A76 V82 | P74-A76 PolarHBondContact O-N 3.48Å; P74-V82 HydrophobicContact CB-CG1 3.66Å |
| 75 | T | 55.2 | Low | 54.8 | Low | 63 Ų | 63 | 111.2 Ų | 111.2 | 39% | 0.387 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.6 | 109.7 | 172.7 | -58.5 | 0 | 0 | 0 | 0 | 107.4 | K73 M77 | K73-T75 PolarHBondContact O-N 3.47Å; T75-M77 PolarHBondContact O-N 2.95Å; T75-M77 VanDerWaalsContact O-N 3.17Å |
| 76 | A | 57.5 | Low | 55 | Low | 89 Ų | 89 | 105.9 Ų | 105.9 | 74% | 0.736 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.1 | 111.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | P74 | P74-A76 PolarHBondContact O-N 3.48Å |
| 77 | M | 54 | Low | 55.2 | Low | 107 Ų | 107 | 106.4 Ų | 106.4 | 53% | 0.527 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.6 | 137.2 | 167 | -70.8 | 174 | 56.6 | 0 | 0 | 107.9 | T75 R81 A83 | T75-M77 PolarHBondContact O-N 2.95Å; T75-M77 VanDerWaalsContact O-N 3.17Å; M77-R81 PolarHBondContact N-O 2.92Å; M77-R81 VanDerWaalsContact O-O 3.11Å; M77-A83 HydrophobicContact SD-CB 3.92Å |
| 78 | G | 54.1 | Low | 55.1 | Low | 63 Ų | 63 | 110.3 Ų | 110.3 | 65% | 0.649 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | 152.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 79 | Q | 52.4 | Low | 55 | Low | 170 Ų | 170 | 109.5 Ų | 109.5 | 79% | 0.794 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.2 | 40 | -172.8 | -52.9 | -174.8 | -67.8 | 0 | 0 | 116.1 | R81 | Q79-R81 PolarHBondContact O-N 3.49Å; Q79-R81 VanDerWaalsContact O-N 3.1Å |
| 80 | G | 53.2 | Low | 55.1 | Low | 80 Ų | 80 | 105.8 Ų | 105.8 | 83% | 0.825 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.3 | 10.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 81 | R | 57.2 | Low | 54.8 | Low | 157 Ų | 157 | 111.7 Ų | 111.7 | 59% | 0.592 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93 | 111.3 | 174.8 | -66.5 | -164.6 | -68.8 | -102.4 | -1.8 | 109.3 | M77 Q79 | M77-R81 PolarHBondContact N-O 2.92Å; M77-R81 VanDerWaalsContact O-O 3.11Å; Q79-R81 PolarHBondContact O-N 3.49Å; Q79-R81 VanDerWaalsContact O-N 3.1Å |
| 82 | V | 58.8 | Low | 54.6 | Low | 91 Ų | 91 | 109.3 Ų | 109.3 | 55% | 0.552 | 60% | 0.601 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91 | 109.8 | 170.3 | 178 | 0 | 0 | 0 | 0 | 107.3 | P74 | P74-V82 HydrophobicContact CB-CG1 3.66Å |
| 83 | A | 60 | Low | 54.3 | Low | 41 Ų | 41 | 117.3 Ų | 117.3 | 34% | 0.339 | 63% | 0.633 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.5 | 126.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | M77 M85 | M77-A83 HydrophobicContact SD-CB 3.92Å; A83-M85 PolarHBondContact O-N 3.36Å; A83-M85 VanDerWaalsContact O-N 3.1Å |
| 84 | H | 55.6 | Low | 53.6 | Low | 150 Ų | 150 | 111.1 Ų | 111.1 | 69% | 0.694 | 62% | 0.615 | S | S | * | * | trans | -77.4 | 92.2 | 167.3 | -73.5 | -89.1 | 0 | 0 | 0 | 108.1 | I86 | H84-I86 PolarHBondContact O-N 2.92Å; H84-I86 VanDerWaalsContact O-N 3.14Å | ||
| 85 | M | 54.7 | Low | 53.2 | Low | 109 Ų | 109 | 113 Ų | 113 | 54% | 0.537 | 62% | 0.62 | S | S | . | * | trans | -77.3 | 97.8 | 173.1 | -158.4 | 171.4 | 75.1 | 0 | 0 | 107.6 | T72 A83 E87 | T72-M85 VanDerWaalsContact CB-O 3.3Å; T72-M85 WeakPolarHBondContact CB-O 3.24Å; T72-M85 PolarHBondContact OG1-O 3.06Å; A83-M85 PolarHBondContact O-N 3.36Å; A83-M85 VanDerWaalsContact O-N 3.1Å; M85-E87 PolarHBondContact O-N 2.89Å | ||
| 86 | I | 57.9 | Low | 53 | Low | 113 Ų | 113 | 114.8 Ų | 114.8 | 58% | 0.579 | 64% | 0.635 | S | S | * | * | trans | -82.3 | 107.4 | 169.6 | -59.4 | 173.3 | 0 | 0 | 0 | 106.1 | H84 W88 | H84-I86 PolarHBondContact O-N 2.92Å; H84-I86 VanDerWaalsContact O-N 3.14Å; I86-W88 PolarHBondContact O-N 3.41Å | ||
| 87 | E | 54.1 | Low | 52.7 | Low | 88 Ų | 88 | 118.6 Ų | 118.6 | 41% | 0.411 | 64% | 0.638 | S | S | . | * | trans | -72.2 | 117.1 | 169.4 | 67.6 | -173.6 | 170.6 | 0 | 0 | 108.8 | T72 M85 Q89 | T72-E87 HydrophobicContact CG2-CG 3.98Å; T72-E87 WeakPolarHBondContact CG2-OE1 3.42Å; T72-E87 PolarHBondContact OG1-N 2.99Å; M85-E87 PolarHBondContact O-N 2.89Å; E87-Q89 PolarHBondContact O-N 2.78Å | ||
| 88 | W | 49.3 | Very low | 52.4 | Low | 186 Ų | 186 | 120.1 Ų | 120.1 | 71% | 0.705 | 64% | 0.644 | S | S | * | * | trans | -77.9 | 59.3 | 170 | -66 | 90.3 | 0 | 0 | 0 | 109.7 | I86 G90 W91 | I86-W88 PolarHBondContact O-N 3.41Å; W88-G90 PolarHBondContact O-N 3.19Å; W88-W91 HydrophobicContact CE3-CD2 4.36Å; W88-W91 HydrophobicContact CE3-CE3 4.4Å; W88-W91 AromaticContact CE3-CH2 3.87Å; W88-W91 HydrophobicContact CE3-CH2 3.87Å; W88-W91 AromaticContact CE3-CZ2 3.81Å; W88-W91 HydrophobicContact CE3-CZ2 3.81Å; W88-W91 HydrophobicContact CE3-CZ3 4.16Å; W88-W91 HydrophobicContact CH2-CH2 4.15Å; W88-W91 HydrophobicContact CH2-CZ2 4.24Å; W88-W91 AromaticContact CZ3-CE2 3.95Å; W88-W91 AromaticContact CZ3-CH2 3.54Å; W88-W91 HydrophobicContact CZ3-CH2 3.54Å; W88-W91 AromaticContact CZ3-CZ2 3.35Å; W88-W91 HydrophobicContact CZ3-CZ2 3.35Å; W88-W91 HydrophobicContact CZ3-CZ3 4.29Å | ||
| 89 | Q | 51.9 | Low | 52 | Low | 147 Ų | 147 | 122 Ų | 122 | 69% | 0.687 | 64% | 0.635 | S | S | * | * | trans | -94.1 | 90.7 | 167.9 | -79.4 | -150.5 | 32.5 | 0 | 0 | 109.6 | E87 | E87-Q89 PolarHBondContact O-N 2.78Š| ||
| 90 | G | 56.3 | Low | 51.8 | Low | 60 Ų | 60 | 120 Ų | 120 | 62% | 0.619 | 63% | 0.626 | S | S | * | * | trans | -179.3 | -13.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | W88 G92 | W88-G90 PolarHBondContact O-N 3.19Å; G90-G92 VanDerWaalsContact C-N 3.31Å; G90-G92 PolarHBondContact O-N 3.06Å | ||
| 91 | W | 48 | Very low | 51.5 | Low | 227 Ų | 227 | 122.9 Ų | 122.9 | 86% | 0.86 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -89.8 | 26.2 | -178.9 | -72.2 | -16.4 | 0 | 0 | 0 | 115.4 | W88 | W88-W91 HydrophobicContact CE3-CD2 4.36Å; W88-W91 HydrophobicContact CE3-CE3 4.4Å; W88-W91 AromaticContact CE3-CH2 3.87Å; W88-W91 HydrophobicContact CE3-CH2 3.87Å; W88-W91 AromaticContact CE3-CZ2 3.81Å; W88-W91 HydrophobicContact CE3-CZ2 3.81Å; W88-W91 HydrophobicContact CE3-CZ3 4.16Å; W88-W91 HydrophobicContact CH2-CH2 4.15Å; W88-W91 HydrophobicContact CH2-CZ2 4.24Å; W88-W91 AromaticContact CZ3-CE2 3.95Å; W88-W91 AromaticContact CZ3-CH2 3.54Å; W88-W91 HydrophobicContact CZ3-CH2 3.54Å; W88-W91 AromaticContact CZ3-CZ2 3.35Å; W88-W91 HydrophobicContact CZ3-CZ2 3.35Å; W88-W91 HydrophobicContact CZ3-CZ3 4.29Å |
| 92 | G | 51.1 | Low | 51.1 | Low | 57 Ų | 57 | 119.6 Ų | 119.6 | 59% | 0.588 | 62% | 0.615 | S | S | * | * | trans | -152.1 | 2.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | G90 A94 | G90-G92 VanDerWaalsContact C-N 3.31Å; G90-G92 PolarHBondContact O-N 3.06Å; G92-A94 PolarHBondContact O-N 3.37Å | ||
| 93 | K | 48.8 | Very low | 50.5 | Low | 204 Ų | 204 | 119.7 Ų | 119.7 | 89% | 0.887 | 61% | 0.61 | S | S | * | * | trans | -84.6 | 63.2 | 168.4 | -65.7 | -171.2 | -177.2 | 179.4 | 0 | 109.4 | N95 | K93-N95 PolarHBondContact O-N 3.12Š| ||
| 94 | A | 42.9 | Very low | 49.9 | Very low | 49 Ų | 49 | 121.9 Ų | 121.9 | 41% | 0.405 | 61% | 0.613 | S | S | . | * | trans | -61.1 | 125.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | G92 S96 Q99 | G92-A94 PolarHBondContact O-N 3.37Å; A94-S96 PolarHBondContact O-N 2.88Å; A94-Q99 HydrophobicContact CB-CG 3.64Å | ||
| 95 | N | 44.6 | Very low | 49.7 | Very low | 123 Ų | 123 | 118.2 Ų | 118.2 | 66% | 0.658 | 60% | 0.601 | S | S | * | * | trans | -45.3 | 129.1 | 165 | -102.2 | -23.3 | 0 | 0 | 0 | 108.2 | K93 Q97 Q98 | K93-N95 PolarHBondContact O-N 3.12Å; N95-Q97 PolarHBondContact O-N 2.94Å; N95-Q98 PolarHBondContact O-N 3.28Å | ||
| 96 | S | 51 | Low | 49.6 | Very low | 100 Ų | 100 | 115.8 Ų | 115.8 | 70% | 0.699 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | 0.3 | -173.8 | -21.4 | 0 | 0 | 0 | 0 | 114.9 | A94 | A94-S96 PolarHBondContact O-N 2.88Š|
| 97 | Q | 50.6 | Low | 49.5 | Very low | 168 Ų | 168 | 117.6 Ų | 117.6 | 79% | 0.785 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -20.6 | 174.8 | -65.7 | -172.8 | -57.1 | 0 | 0 | 113.7 | N95 | N95-Q97 PolarHBondContact O-N 2.94Š|
| 98 | Q | 47.1 | Very low | 49.6 | Very low | 140 Ų | 140 | 119.6 Ų | 119.6 | 65% | 0.654 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -91.1 | -14.1 | 175.1 | -89.5 | -177.4 | -50.9 | 0 | 0 | 113.6 | N95 Q100 T102 | N95-Q98 PolarHBondContact O-N 3.28Å; Q98-Q100 VanDerWaalsContact C-N 3.29Å; Q98-Q100 PolarHBondContact O-N 3.42Å; Q98-T102 PolarHBondContact O-N 2.94Å; Q98-T102 PolarHBondContact O-OG1 2.89Å |
| 99 | Q | 46.8 | Very low | 50 | Low | 101 Ų | 101 | 116.2 Ų | 116.2 | 47% | 0.472 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.9 | -22.9 | 174.2 | -81.6 | -178.8 | -14.4 | 0 | 0 | 113.4 | A94 H103 | A94-Q99 HydrophobicContact CB-CG 3.64Å; Q99-H103 WeakPolarHBondContact O-CB 3.25Å; Q99-H103 PolarHBondContact O-N 3.33Å |
| 100 | Q | 48 | Very low | 50.3 | Low | 129 Ų | 129 | 111.7 Ų | 111.7 | 60% | 0.603 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.3 | -52.6 | 176.5 | -68.8 | -167.2 | -19.4 | 0 | 0 | 110.1 | Q98 T102 H103 E104 | Q98-Q100 VanDerWaalsContact C-N 3.29Å; Q98-Q100 PolarHBondContact O-N 3.42Å; Q100-T102 VanDerWaalsContact C-N 3.35Å; Q100-T102 PolarHBondContact O-N 3.36Å; Q100-H103 PolarHBondContact O-N 3.41Å; Q100-E104 VanDerWaalsContact C-OE1 3.3Å; Q100-E104 WeakPolarHBondContact CB-OE1 3.48Å; Q100-E104 VanDerWaalsContact O-CB 3.3Å; Q100-E104 WeakPolarHBondContact O-CB 3.38Å; Q100-E104 VanDerWaalsContact O-CD 3.27Å; Q100-E104 WeakPolarHBondContact O-CG 3.3Å; Q100-E104 PolarHBondContact O-N 3.49Å; Q100-E104 VanDerWaalsContact O-OE1 3.12Å |
| 101 | H | 46.2 | Very low | 50.7 | Low | 140 Ų | 140 | 113.3 Ų | 113.3 | 65% | 0.648 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.9 | -31.3 | -178.5 | -75.1 | -75.9 | 0 | 0 | 0 | 115.2 | T105 | H101-T105 PolarHBondContact O-N 3.31Å; H101-T105 PolarHBondContact O-OG1 3.41Å |
| 102 | T | 48.6 | Very low | 51.5 | Low | 88 Ų | 88 | 105.3 Ų | 105.3 | 54% | 0.54 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -85.8 | -33.7 | 179.1 | 37.3 | 0 | 0 | 0 | 0 | 113.4 | Q98 Q100 E104 T105 A106 | Q98-T102 PolarHBondContact O-N 2.94Å; Q98-T102 PolarHBondContact O-OG1 2.89Å; Q100-T102 VanDerWaalsContact C-N 3.35Å; Q100-T102 PolarHBondContact O-N 3.36Å; T102-E104 VanDerWaalsContact C-N 3.3Å; T102-T105 PolarHBondContact O-OG1 2.93Å; T102-A106 VanDerWaalsContact O-CB 3.25Å; T102-A106 WeakPolarHBondContact O-CB 3.47Å; T102-A106 PolarHBondContact O-N 3.44Å |
| 103 | H | 46.4 | Very low | 52.1 | Low | 93 Ų | 93 | 108 Ų | 108 | 43% | 0.431 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.8 | -29.3 | 174.5 | -163.2 | -42.9 | 0 | 0 | 0 | 111.2 | Q99 Q100 R107 | Q99-H103 WeakPolarHBondContact O-CB 3.25Å; Q99-H103 PolarHBondContact O-N 3.33Å; Q100-H103 PolarHBondContact O-N 3.41Å; H103-R107 VanDerWaalsContact CE1-CD 3.44Å; H103-R107 WeakPolarHBondContact CE1-CD 3.47Å; H103-R107 PolarHBondContact CE1-NE 2.62Å; H103-R107 PolarHBondContact CE1-NH1 3.45Å; H103-R107 PolarHBondContact CE1-NH2 3.06Å; H103-R107 VanDerWaalsContact CE1-NH2 3.27Å; H103-R107 VanDerWaalsContact ND1-CD 3.31Å; H103-R107 WeakPolarHBondContact ND1-CD 3.39Å; H103-R107 WeakPolarHBondContact ND1-CG 3.3Å; H103-R107 PolarHBondContact ND1-NE 3.14Å; H103-R107 PolarHBondContact ND1-NH1 3.06Å; H103-R107 WeakPolarHBondContact O-CB 3.21Å; H103-R107 VanDerWaalsContact O-CG 3.3Å; H103-R107 WeakPolarHBondContact O-CG 3.48Å; H103-R107 PolarHBondContact O-N 3.24Å |
| 104 | E | 48.8 | Very low | 53.4 | Low | 87 Ų | 87 | 102 Ų | 102 | 41% | 0.407 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -73.5 | -39.6 | 177 | -71 | 169.9 | -136.6 | 0 | 0 | 112.9 | Q100 T102 K108 | Q100-E104 VanDerWaalsContact C-OE1 3.3Å; Q100-E104 WeakPolarHBondContact CB-OE1 3.48Å; Q100-E104 VanDerWaalsContact O-CB 3.3Å; Q100-E104 WeakPolarHBondContact O-CB 3.38Å; Q100-E104 VanDerWaalsContact O-CD 3.27Å; Q100-E104 WeakPolarHBondContact O-CG 3.3Å; Q100-E104 PolarHBondContact O-N 3.49Å; Q100-E104 VanDerWaalsContact O-OE1 3.12Å; T102-E104 VanDerWaalsContact C-N 3.3Å; E104-K108 VanDerWaalsContact O-CB 3.29Å; E104-K108 WeakPolarHBondContact O-CB 3.11Å; E104-K108 WeakPolarHBondContact O-CD 3.32Å; E104-K108 WeakPolarHBondContact O-CG 2.86Å; E104-K108 PolarHBondContact O-N 3.36Å |
| 105 | T | 51.7 | Low | 55.2 | Low | 74 Ų | 74 | 106.6 Ų | 106.6 | 45% | 0.454 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -72.7 | -44.7 | 174.1 | 42.8 | 0 | 0 | 0 | 0 | 111.9 | H101 T102 R107 K108 D109 | H101-T105 PolarHBondContact O-N 3.31Å; H101-T105 PolarHBondContact O-OG1 3.41Å; T102-T105 PolarHBondContact O-OG1 2.93Å; T105-R107 VanDerWaalsContact C-N 3.33Å; T105-R107 PolarHBondContact O-N 3.27Å; T105-K108 PolarHBondContact O-N 3.41Å; T105-K108 VanDerWaalsContact O-N 3.14Å; T105-D109 VanDerWaalsContact O-CG 3.3Å; T105-D109 PolarHBondContact O-N 2.82Å |
| 106 | A | 51.9 | Low | 57.2 | Low | 57 Ų | 57 | 102 Ų | 102 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.2 | -34.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T102 A110 | T102-A106 VanDerWaalsContact O-CB 3.25Å; T102-A106 WeakPolarHBondContact O-CB 3.47Å; T102-A106 PolarHBondContact O-N 3.44Å; A106-A110 WeakPolarHBondContact O-CB 3.43Å; A106-A110 PolarHBondContact O-N 2.97Å |
| 107 | R | 55.7 | Low | 59 | Low | 151 Ų | 151 | 100.2 Ų | 100.2 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.8 | -47.1 | 168.7 | -86.5 | -179.1 | 169.5 | 137.5 | 7.7 | 111.4 | H103 T105 D109 A110 D111 | H103-R107 VanDerWaalsContact CE1-CD 3.44Å; H103-R107 WeakPolarHBondContact CE1-CD 3.47Å; H103-R107 PolarHBondContact CE1-NE 2.62Å; H103-R107 PolarHBondContact CE1-NH1 3.45Å; H103-R107 PolarHBondContact CE1-NH2 3.06Å; H103-R107 VanDerWaalsContact CE1-NH2 3.27Å; H103-R107 VanDerWaalsContact ND1-CD 3.31Å; H103-R107 WeakPolarHBondContact ND1-CD 3.39Å; H103-R107 WeakPolarHBondContact ND1-CG 3.3Å; H103-R107 PolarHBondContact ND1-NE 3.14Å; H103-R107 PolarHBondContact ND1-NH1 3.06Å; H103-R107 WeakPolarHBondContact O-CB 3.21Å; H103-R107 VanDerWaalsContact O-CG 3.3Å; H103-R107 WeakPolarHBondContact O-CG 3.48Å; H103-R107 PolarHBondContact O-N 3.24Å; T105-R107 VanDerWaalsContact C-N 3.33Å; T105-R107 PolarHBondContact O-N 3.27Å; R107-D109 VanDerWaalsContact C-N 3.31Å; R107-D109 PolarHBondContact O-N 3.23Å; R107-A110 CarbonylContact O-C 3.6Å; R107-A110 PolarHBondContact O-N 2.89Å; R107-D111 VanDerWaalsContact O-CB 3.26Å; R107-D111 WeakPolarHBondContact O-CB 3.3Å; R107-D111 PolarHBondContact O-N 3.21Å; R107-D111 VanDerWaalsContact O-OD2 3.09Å |
| 108 | K | 56.9 | Low | 60.9 | Low | 131 Ų | 131 | 97.7 Ų | 97.7 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.5 | -39.3 | 178.7 | -79.8 | 167.2 | 178.7 | 167.6 | 0 | 112.9 | E104 T105 A112 | E104-K108 VanDerWaalsContact O-CB 3.29Å; E104-K108 WeakPolarHBondContact O-CB 3.11Å; E104-K108 WeakPolarHBondContact O-CD 3.32Å; E104-K108 WeakPolarHBondContact O-CG 2.86Å; E104-K108 PolarHBondContact O-N 3.36Å; T105-K108 PolarHBondContact O-N 3.41Å; T105-K108 VanDerWaalsContact O-N 3.14Å; K108-A112 VanDerWaalsContact O-CB 3.24Å; K108-A112 WeakPolarHBondContact O-CB 3.29Å; K108-A112 PolarHBondContact O-N 2.94Å |
| 109 | D | 56.6 | Low | 63.1 | Low | 114 Ų | 114 | 93.2 Ų | 93.2 | 61% | 0.61 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -74.2 | -35.4 | 178 | -64.1 | -24.4 | 0 | 0 | 0 | 111.9 | T105 R107 A112 Y113 | T105-D109 VanDerWaalsContact O-CG 3.3Å; T105-D109 PolarHBondContact O-N 2.82Å; R107-D109 VanDerWaalsContact C-N 3.31Å; R107-D109 PolarHBondContact O-N 3.23Å; D109-A112 PolarHBondContact O-N 3.17Å; D109-Y113 PolarHBondContact O-N 3.5Å |
| 110 | A | 58.9 | Low | 65.3 | Low | 53 Ų | 53 | 92.7 Ų | 92.7 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.1 | -36.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | A106 R107 Y113 S114 | A106-A110 WeakPolarHBondContact O-CB 3.43Å; A106-A110 PolarHBondContact O-N 2.97Å; R107-A110 CarbonylContact O-C 3.6Å; R107-A110 PolarHBondContact O-N 2.89Å; A110-Y113 PolarHBondContact O-N 3.46Å; A110-S114 WeakPolarHBondContact O-CB 3.4Å; A110-S114 PolarHBondContact O-N 2.97Å; A110-S114 VanDerWaalsContact O-N 3.11Å; A110-S114 PolarHBondContact O-OG 2.87Å |
| 111 | D | 63.7 | Low | 67.5 | Low | 93 Ų | 93 | 89.4 Ų | 89.4 | 50% | 0.497 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.8 | -40.3 | 174 | -66.5 | -27.6 | 0 | 0 | 0 | 109.9 | R107 Y113 S114 D115 | R107-D111 VanDerWaalsContact O-CB 3.26Å; R107-D111 WeakPolarHBondContact O-CB 3.3Å; R107-D111 PolarHBondContact O-N 3.21Å; R107-D111 VanDerWaalsContact O-OD2 3.09Å; D111-Y113 VanDerWaalsContact C-N 3.27Å; D111-Y113 PolarHBondContact O-N 3.24Å; D111-S114 WeakPolarHBondContact O-CB 3.49Å; D111-S114 PolarHBondContact O-N 3.41Å; D111-D115 PolarHBondContact O-N 2.76Å |
| 112 | A | 64.6 | Low | 69.8 | Low | 59 Ų | 59 | 88.9 Ų | 88.9 | 49% | 0.488 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.9 | -28.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K108 D109 | K108-A112 VanDerWaalsContact O-CB 3.24Å; K108-A112 WeakPolarHBondContact O-CB 3.29Å; K108-A112 PolarHBondContact O-N 2.94Å; D109-A112 PolarHBondContact O-N 3.17Å |
| 113 | Y | 64.2 | Low | 72 | Confident | 114 Ų | 114 | 87.5 Ų | 87.5 | 45% | 0.447 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -83.9 | -22.2 | 172.3 | -125.5 | -94.9 | 0 | 0 | 0 | 112.6 | D109 A110 D111 L116 K121 | D109-Y113 PolarHBondContact O-N 3.5Å; A110-Y113 PolarHBondContact O-N 3.46Å; D111-Y113 VanDerWaalsContact C-N 3.27Å; D111-Y113 PolarHBondContact O-N 3.24Å; Y113-L116 HydrophobicContact CD1-CD1 4.3Å; Y113-L116 HydrophobicContact CD2-CD1 4.28Å; Y113-L116 HydrophobicContact CE1-CD1 4.47Å; Y113-L116 HydrophobicContact CE2-CD1 4.44Å; Y113-L116 HydrophobicContact CG-CD1 4.21Å; Y113-K121 HydrophobicContact CD1-CD 4.48Å; Y113-K121 HydrophobicContact CD1-CG 4.09Å; Y113-K121 HydrophobicContact CE1-CB 4.42Å; Y113-K121 HydrophobicContact CE1-CG 4.03Å; Y113-K121 WeakPolarHBondContact O-CE 3.27Å |
| 114 | S | 75.8 | Confident | 74.3 | Confident | 77 Ų | 77 | 88.6 Ų | 88.6 | 54% | 0.538 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -75.5 | -31.2 | -178.4 | -64.5 | 0 | 0 | 0 | 0 | 112.6 | A110 D111 L116 | A110-S114 WeakPolarHBondContact O-CB 3.4Å; A110-S114 PolarHBondContact O-N 2.97Å; A110-S114 VanDerWaalsContact O-N 3.11Å; A110-S114 PolarHBondContact O-OG 2.87Å; D111-S114 WeakPolarHBondContact O-CB 3.49Å; D111-S114 PolarHBondContact O-N 3.41Å; S114-L116 PolarHBondContact O-N 3.47Å |
| 115 | D | 81.6 | Confident | 76.5 | Confident | 147 Ų | 147 | 91.1 Ų | 91.1 | 79% | 0.786 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -72.2 | -13.8 | 176.6 | -69 | -24.2 | 0 | 0 | 0 | 113.6 | D111 | D111-D115 PolarHBondContact O-N 2.76Š|
| 116 | L | 86.6 | Confident | 78.6 | Confident | 25 Ų | 25 | 92.5 Ų | 92.5 | 13% | 0.131 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -78.5 | 135.4 | 178.2 | -59.2 | 173.8 | 0 | 0 | 0 | 110.6 | Y113 S114 E120 K121 R124 | Y113-L116 HydrophobicContact CD1-CD1 4.3Å; Y113-L116 HydrophobicContact CD2-CD1 4.28Å; Y113-L116 HydrophobicContact CE1-CD1 4.47Å; Y113-L116 HydrophobicContact CE2-CD1 4.44Å; Y113-L116 HydrophobicContact CG-CD1 4.21Å; S114-L116 PolarHBondContact O-N 3.47Å; L116-E120 HydrophobicContact CB-CB 4.27Å; L116-K121 HydrophobicContact CB-CG 3.91Å; L116-K121 WeakPolarHBondContact O-CE 3.38Å; L116-K121 PolarHBondContact O-NZ 3.39Å; L116-R124 VanDerWaalsContact CD1-CZ 3.41Å; L116-R124 VanDerWaalsContact CD1-NH1 3.28Å; L116-R124 VanDerWaalsContact CD2-NH1 3.33Å |
| 117 | S | 88.4 | Confident | 80.6 | Confident | 64 Ų | 64 | 92.4 Ų | 92.4 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | trans | -64.5 | 155.9 | 169.9 | 67.1 | 0 | 0 | 0 | 0 | 111 | G119 E120 K121 | S117-G119 PolarHBondContact O-N 3.3Å; S117-E120 WeakPolarHBondContact CB-OE2 3.37Å; S117-E120 PolarHBondContact N-OE2 3.1Å; S117-E120 WeakPolarHBondContact O-CB 3.28Å; S117-E120 PolarHBondContact O-N 3.48Å; S117-E120 VanDerWaalsContact OG-CD 3.31Å; S117-E120 VanDerWaalsContact OG-CG 3.29Å; S117-E120 WeakPolarHBondContact OG-CG 3.33Å; S117-E120 PolarHBondContact OG-N 3.16Å; S117-E120 PolarHBondContact OG-OE2 2.87Å; S117-K121 PolarHBondContact O-N 2.95Å | ||
| 118 | D | 90.3 | Very high | 82.5 | Confident | 115 Ų | 115 | 86.7 Ų | 86.7 | 62% | 0.615 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.1 | -34.9 | -178.6 | -68.4 | -21.3 | 0 | 0 | 0 | 112.2 | E120 K121 E122 | D118-E120 VanDerWaalsContact C-N 3.34Å; D118-E120 PolarHBondContact O-N 3.47Å; D118-K121 PolarHBondContact O-N 3.32Å; D118-K121 IonicContact OD1-NZ 3.54Å; D118-E122 WeakPolarHBondContact O-CB 3.47Å; D118-E122 VanDerWaalsContact O-CG 3.32Å; D118-E122 WeakPolarHBondContact O-CG 3.47Å; D118-E122 PolarHBondContact O-N 3.5Å |
| 119 | G | 94.4 | Very high | 84.5 | Confident | 45 Ų | 45 | 84 Ų | 84 | 46% | 0.464 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.2 | -32.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S117 A123 | S117-G119 PolarHBondContact O-N 3.3Å; G119-A123 WeakPolarHBondContact O-CB 3.16Å; G119-A123 PolarHBondContact O-N 2.84Å |
| 120 | E | 92.6 | Very high | 86.3 | Confident | 90 Ų | 90 | 85 Ų | 85 | 42% | 0.421 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -77.5 | -30.7 | 175.4 | -70.2 | 167.6 | 126 | 0 | 0 | 112.6 | L116 S117 D118 R124 | L116-E120 HydrophobicContact CB-CB 4.27Å; S117-E120 WeakPolarHBondContact CB-OE2 3.37Å; S117-E120 PolarHBondContact N-OE2 3.1Å; S117-E120 WeakPolarHBondContact O-CB 3.28Å; S117-E120 PolarHBondContact O-N 3.48Å; S117-E120 VanDerWaalsContact OG-CD 3.31Å; S117-E120 VanDerWaalsContact OG-CG 3.29Å; S117-E120 WeakPolarHBondContact OG-CG 3.33Å; S117-E120 PolarHBondContact OG-N 3.16Å; S117-E120 PolarHBondContact OG-OE2 2.87Å; D118-E120 VanDerWaalsContact C-N 3.34Å; D118-E120 PolarHBondContact O-N 3.47Å; E120-R124 WeakPolarHBondContact O-CG 3.21Å; E120-R124 PolarHBondContact O-N 3.28Å; E120-R124 VanDerWaalsContact O-N 3.12Å; E120-R124 PolarHBondContact O-NH1 2.83Å |
| 121 | K | 93.6 | Very high | 88 | Confident | 61 Ų | 61 | 88.2 Ų | 88.2 | 27% | 0.265 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.2 | -44.9 | 171.3 | -68.4 | 172.9 | -176.7 | 147.6 | 0 | 110.5 | Y113 L116 S117 D118 R124 F125 | Y113-K121 HydrophobicContact CD1-CD 4.48Å; Y113-K121 HydrophobicContact CD1-CG 4.09Å; Y113-K121 HydrophobicContact CE1-CB 4.42Å; Y113-K121 HydrophobicContact CE1-CG 4.03Å; Y113-K121 WeakPolarHBondContact O-CE 3.27Å; L116-K121 HydrophobicContact CB-CG 3.91Å; L116-K121 WeakPolarHBondContact O-CE 3.38Å; L116-K121 PolarHBondContact O-NZ 3.39Å; S117-K121 PolarHBondContact O-N 2.95Å; D118-K121 PolarHBondContact O-N 3.32Å; D118-K121 IonicContact OD1-NZ 3.54Å; K121-R124 PolarHBondContact O-N 3.17Å; K121-F125 PolarHBondContact O-N 3.15Å |
| 122 | E | 95.1 | Very high | 89.6 | Confident | 129 Ų | 129 | 89.7 Ų | 89.7 | 60% | 0.603 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.2 | -44.3 | 174.5 | -75 | 178.4 | -176.2 | 0 | 0 | 111.4 | D118 R124 F125 L126 | D118-E122 WeakPolarHBondContact O-CB 3.47Å; D118-E122 VanDerWaalsContact O-CG 3.32Å; D118-E122 WeakPolarHBondContact O-CG 3.47Å; D118-E122 PolarHBondContact O-N 3.5Å; E122-R124 VanDerWaalsContact C-N 3.33Å; E122-R124 PolarHBondContact O-N 3.32Å; E122-F125 WeakPolarHBondContact O-CB 3.46Å; E122-F125 PolarHBondContact O-N 3.26Å; E122-F125 VanDerWaalsContact O-N 3.16Å; E122-L126 WeakPolarHBondContact O-CD1 3.46Å; E122-L126 PolarHBondContact O-N 3.47Å |
| 123 | A | 95 | Very high | 91.1 | Very high | 59 Ų | 59 | 93.2 Ų | 93.2 | 49% | 0.488 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G119 L126 A127 | G119-A123 WeakPolarHBondContact O-CB 3.16Å; G119-A123 PolarHBondContact O-N 2.84Å; A123-L126 PolarHBondContact O-N 2.79Å; A123-A127 VanDerWaalsContact O-CB 3.28Å; A123-A127 WeakPolarHBondContact O-CB 3.48Å; A123-A127 PolarHBondContact O-N 2.98Å |
| 124 | R | 93.4 | Very high | 92.5 | Very high | 116 Ų | 116 | 90.3 Ų | 90.3 | 44% | 0.438 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 174.9 | -76.4 | -179.8 | 175.3 | 82 | -7 | 112.4 | L116 E120 K121 E122 A127 G128 | L116-R124 VanDerWaalsContact CD1-CZ 3.41Å; L116-R124 VanDerWaalsContact CD1-NH1 3.28Å; L116-R124 VanDerWaalsContact CD2-NH1 3.33Å; E120-R124 WeakPolarHBondContact O-CG 3.21Å; E120-R124 PolarHBondContact O-N 3.28Å; E120-R124 VanDerWaalsContact O-N 3.12Å; E120-R124 PolarHBondContact O-NH1 2.83Å; K121-R124 PolarHBondContact O-N 3.17Å; E122-R124 VanDerWaalsContact C-N 3.33Å; E122-R124 PolarHBondContact O-N 3.32Å; R124-A127 PolarHBondContact O-N 3.45Å; R124-G128 PolarHBondContact O-N 3.12Å |
| 125 | F | 95.1 | Very high | 93.4 | Very high | 140 Ų | 140 | 90.6 Ų | 90.6 | 61% | 0.614 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63 | -49.9 | 173.9 | 174.1 | -99.7 | 0 | 0 | 0 | 111.3 | K121 E122 A127 G128 V129 | K121-F125 PolarHBondContact O-N 3.15Å; E122-F125 WeakPolarHBondContact O-CB 3.46Å; E122-F125 PolarHBondContact O-N 3.26Å; E122-F125 VanDerWaalsContact O-N 3.16Å; F125-A127 VanDerWaalsContact C-N 3.32Å; F125-A127 PolarHBondContact O-N 3.29Å; F125-G128 PolarHBondContact O-N 3.48Å; F125-V129 HydrophobicContact CD1-CG2 4.4Å; F125-V129 HydrophobicContact CD2-CG2 4.46Å; F125-V129 HydrophobicContact CE1-CG2 3.95Å; F125-V129 HydrophobicContact CE2-CG2 4.03Å; F125-V129 HydrophobicContact CZ-CG2 3.75Å; F125-V129 WeakPolarHBondContact O-CG2 3.32Å; F125-V129 PolarHBondContact O-N 3.03Å |
| 126 | L | 96.3 | Very high | 93.9 | Very high | 103 Ų | 103 | 86.1 Ų | 86.1 | 54% | 0.539 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 175.7 | -91.5 | 81.6 | 0 | 0 | 0 | 111.3 | E122 A123 G128 V129 M130 | E122-L126 WeakPolarHBondContact O-CD1 3.46Å; E122-L126 PolarHBondContact O-N 3.47Å; A123-L126 PolarHBondContact O-N 2.79Å; L126-G128 PolarHBondContact O-N 3.07Å; L126-V129 PolarHBondContact O-N 3.2Å; L126-M130 WeakPolarHBondContact O-CB 3.5Å; L126-M130 VanDerWaalsContact O-CG 3.28Å; L126-M130 WeakPolarHBondContact O-CG 3.28Å; L126-M130 PolarHBondContact O-N 3.46Å |
| 127 | A | 94.9 | Very high | 94.3 | Very high | 55 Ų | 55 | 89 Ų | 89 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A123 R124 F125 M130 E131 | A123-A127 VanDerWaalsContact O-CB 3.28Å; A123-A127 WeakPolarHBondContact O-CB 3.48Å; A123-A127 PolarHBondContact O-N 2.98Å; R124-A127 PolarHBondContact O-N 3.45Å; F125-A127 VanDerWaalsContact C-N 3.32Å; F125-A127 PolarHBondContact O-N 3.29Å; A127-M130 PolarHBondContact O-N 3.14Å; A127-E131 WeakPolarHBondContact O-CB 3.45Å; A127-E131 PolarHBondContact O-N 2.91Å |
| 128 | G | 95.5 | Very high | 94.5 | Very high | 30 Ų | 30 | 89 Ų | 89 | 31% | 0.309 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | R124 F125 L126 E131 Q132 | R124-G128 PolarHBondContact O-N 3.12Å; F125-G128 PolarHBondContact O-N 3.48Å; L126-G128 PolarHBondContact O-N 3.07Å; G128-E131 PolarHBondContact O-N 3.4Å; G128-Q132 WeakPolarHBondContact O-CG 3.5Å; G128-Q132 PolarHBondContact O-N 2.85Å; G128-Q132 VanDerWaalsContact O-N 3.14Å |
| 129 | V | 97.3 | Very high | 94.7 | Very high | 76 Ų | 76 | 86.6 Ų | 86.6 | 46% | 0.461 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 174.2 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | F125 L126 E131 Q132 F133 | F125-V129 HydrophobicContact CD1-CG2 4.4Å; F125-V129 HydrophobicContact CD2-CG2 4.46Å; F125-V129 HydrophobicContact CE1-CG2 3.95Å; F125-V129 HydrophobicContact CE2-CG2 4.03Å; F125-V129 HydrophobicContact CZ-CG2 3.75Å; F125-V129 WeakPolarHBondContact O-CG2 3.32Å; F125-V129 PolarHBondContact O-N 3.03Å; L126-V129 PolarHBondContact O-N 3.2Å; V129-E131 VanDerWaalsContact C-N 3.34Å; V129-Q132 PolarHBondContact O-N 3.25Å; V129-F133 PolarHBondContact O-N 2.89Å |
| 130 | M | 95.9 | Very high | 94.3 | Very high | 133 Ų | 133 | 90.2 Ų | 90.2 | 66% | 0.655 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.1 | -37 | 177 | -73.1 | -179.8 | 68.2 | 0 | 0 | 112.3 | L126 A127 F133 A134 | L126-M130 WeakPolarHBondContact O-CB 3.5Å; L126-M130 VanDerWaalsContact O-CG 3.28Å; L126-M130 WeakPolarHBondContact O-CG 3.28Å; L126-M130 PolarHBondContact O-N 3.46Å; A127-M130 PolarHBondContact O-N 3.14Å; M130-F133 WeakPolarHBondContact O-CB 3.39Å; M130-F133 PolarHBondContact O-N 3.34Å; M130-A134 WeakPolarHBondContact O-CB 3.32Å; M130-A134 PolarHBondContact O-N 2.89Å |
| 131 | E | 94.1 | Very high | 94 | Very high | 121 Ų | 121 | 91.6 Ų | 91.6 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.8 | -45.6 | 174.8 | -176.1 | 178.4 | 176.8 | 0 | 0 | 111.1 | A127 G128 V129 F133 A134 I135 | A127-E131 WeakPolarHBondContact O-CB 3.45Å; A127-E131 PolarHBondContact O-N 2.91Å; G128-E131 PolarHBondContact O-N 3.4Å; V129-E131 VanDerWaalsContact C-N 3.34Å; E131-F133 VanDerWaalsContact C-N 3.31Å; E131-F133 PolarHBondContact O-N 3.29Å; E131-A134 PolarHBondContact O-N 2.79Å; E131-I135 HydrophobicContact CG-CD1 4.09Å; E131-I135 VanDerWaalsContact O-CG1 3.3Å; E131-I135 WeakPolarHBondContact O-CG1 3.46Å; E131-I135 PolarHBondContact O-N 3.1Å |
| 132 | Q | 96.3 | Very high | 93.6 | Very high | 125 Ų | 125 | 91.5 Ų | 91.5 | 58% | 0.584 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.6 | -40.7 | 174.9 | -67 | -59.1 | -59.9 | 0 | 0 | 112 | G128 V129 I135 S136 | G128-Q132 WeakPolarHBondContact O-CG 3.5Å; G128-Q132 PolarHBondContact O-N 2.85Å; G128-Q132 VanDerWaalsContact O-N 3.14Å; V129-Q132 PolarHBondContact O-N 3.25Å; Q132-I135 PolarHBondContact O-N 2.7Å; Q132-S136 WeakPolarHBondContact O-CB 3.43Å; Q132-S136 PolarHBondContact O-N 3.44Å; Q132-S136 PolarHBondContact O-OG 3.41Å |
| 133 | F | 95.9 | Very high | 93.1 | Very high | 132 Ų | 132 | 94.8 Ų | 94.8 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.8 | -48.3 | 174.9 | -176.9 | -95.7 | 0 | 0 | 0 | 111.4 | V129 M130 E131 I135 S136 E137 | V129-F133 PolarHBondContact O-N 2.89Å; M130-F133 WeakPolarHBondContact O-CB 3.39Å; M130-F133 PolarHBondContact O-N 3.34Å; E131-F133 VanDerWaalsContact C-N 3.31Å; E131-F133 PolarHBondContact O-N 3.29Å; F133-I135 PolarHBondContact O-N 3.15Å; F133-S136 PolarHBondContact O-N 3.35Å; F133-S136 VanDerWaalsContact O-N 3.15Å; F133-S136 PolarHBondContact O-OG 3.45Å; F133-E137 WeakPolarHBondContact CE1-OE2 3.47Å; F133-E137 WeakPolarHBondContact O-CB 3.44Å; F133-E137 PolarHBondContact O-N 3.26Å |
| 134 | A | 95.5 | Very high | 91.9 | Very high | 54 Ų | 54 | 96.5 Ų | 96.5 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M130 E131 E137 A138 | M130-A134 WeakPolarHBondContact O-CB 3.32Å; M130-A134 PolarHBondContact O-N 2.89Å; E131-A134 PolarHBondContact O-N 2.79Å; A134-E137 PolarHBondContact O-N 3.26Å; A134-A138 WeakPolarHBondContact O-CB 3.49Å; A134-A138 PolarHBondContact O-N 3.42Å |
| 135 | I | 93.4 | Very high | 90.6 | Very high | 83 Ų | 83 | 95.8 Ų | 95.8 | 43% | 0.426 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 174.1 | -68.2 | 165.4 | 0 | 0 | 0 | 110.3 | E131 Q132 F133 A138 T139 | E131-I135 HydrophobicContact CG-CD1 4.09Å; E131-I135 VanDerWaalsContact O-CG1 3.3Å; E131-I135 WeakPolarHBondContact O-CG1 3.46Å; E131-I135 PolarHBondContact O-N 3.1Å; Q132-I135 PolarHBondContact O-N 2.7Å; F133-I135 PolarHBondContact O-N 3.15Å; I135-A138 PolarHBondContact O-N 3.05Å; I135-T139 WeakPolarHBondContact O-CB 3.45Å; I135-T139 PolarHBondContact O-N 3.31Å; I135-T139 PolarHBondContact O-OG1 3.44Å |
| 136 | S | 93.2 | Very high | 88.9 | Confident | 52 Ų | 52 | 96.6 Ų | 96.6 | 36% | 0.364 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | -180 | 73.8 | 0 | 0 | 0 | 0 | 112.4 | Q132 F133 T139 L140 | Q132-S136 WeakPolarHBondContact O-CB 3.43Å; Q132-S136 PolarHBondContact O-N 3.44Å; Q132-S136 PolarHBondContact O-OG 3.41Å; F133-S136 PolarHBondContact O-N 3.35Å; F133-S136 VanDerWaalsContact O-N 3.15Å; F133-S136 PolarHBondContact O-OG 3.45Å; S136-T139 PolarHBondContact O-N 3.5Å; S136-L140 WeakPolarHBondContact O-CB 3.3Å; S136-L140 WeakPolarHBondContact O-CG 3.47Å; S136-L140 PolarHBondContact O-N 3.07Å |
| 137 | E | 94.1 | Very high | 87 | Confident | 87 Ų | 87 | 98.6 Ų | 98.6 | 41% | 0.407 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.1 | -48.8 | 176.9 | -173.9 | 179.7 | 179.5 | 0 | 0 | 110.8 | F133 A134 T139 L140 M141 | F133-E137 WeakPolarHBondContact CE1-OE2 3.47Å; F133-E137 WeakPolarHBondContact O-CB 3.44Å; F133-E137 PolarHBondContact O-N 3.26Å; A134-E137 PolarHBondContact O-N 3.26Å; E137-T139 VanDerWaalsContact C-N 3.27Å; E137-T139 PolarHBondContact O-N 3.12Å; E137-L140 PolarHBondContact O-N 3.24Å; E137-M141 HydrophobicContact CG-CE 4.12Å; E137-M141 WeakPolarHBondContact O-CB 3.38Å; E137-M141 VanDerWaalsContact O-CG 3.32Å; E137-M141 WeakPolarHBondContact O-CG 3.49Å; E137-M141 PolarHBondContact O-N 3.43Å |
| 138 | A | 92.8 | Very high | 85.2 | Confident | 63 Ų | 63 | 98.9 Ų | 98.9 | 52% | 0.521 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.1 | -39.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A134 I135 M141 A142 | A134-A138 WeakPolarHBondContact O-CB 3.49Å; A134-A138 PolarHBondContact O-N 3.42Å; I135-A138 PolarHBondContact O-N 3.05Å; A138-M141 PolarHBondContact O-N 3.47Å; A138-A142 WeakPolarHBondContact O-CB 3.43Å; A138-A142 PolarHBondContact O-N 3.01Å |
| 139 | T | 93.5 | Very high | 83.2 | Confident | 64 Ų | 64 | 105.1 Ų | 105.1 | 39% | 0.393 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.9 | -48.7 | 176.5 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | I135 S136 E137 M141 A142 W143 | I135-T139 WeakPolarHBondContact O-CB 3.45Å; I135-T139 PolarHBondContact O-N 3.31Å; I135-T139 PolarHBondContact O-OG1 3.44Å; S136-T139 PolarHBondContact O-N 3.5Å; E137-T139 VanDerWaalsContact C-N 3.27Å; E137-T139 PolarHBondContact O-N 3.12Å; T139-M141 VanDerWaalsContact C-N 3.33Å; T139-M141 PolarHBondContact O-N 3.41Å; T139-A142 PolarHBondContact O-N 3.45Å; T139-W143 PolarHBondContact O-N 3.19Å |
| 140 | L | 87.7 | Confident | 81 | Confident | 122 Ų | 122 | 108.3 Ų | 108.3 | 64% | 0.639 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.2 | -37.5 | 178.1 | -73.2 | 173.2 | 0 | 0 | 0 | 112.2 | S136 E137 W143 S144 | S136-L140 WeakPolarHBondContact O-CB 3.3Å; S136-L140 WeakPolarHBondContact O-CG 3.47Å; S136-L140 PolarHBondContact O-N 3.07Å; E137-L140 PolarHBondContact O-N 3.24Å; L140-W143 PolarHBondContact O-N 3.07Å; L140-S144 VanDerWaalsContact O-CB 3.31Å; L140-S144 WeakPolarHBondContact O-CB 3.3Å; L140-S144 PolarHBondContact O-N 3.14Å |
| 141 | M | 86.2 | Confident | 79 | Confident | 119 Ų | 119 | 108.8 Ų | 108.8 | 59% | 0.586 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.4 | -39.5 | 173.7 | -71 | -148.3 | -178 | 0 | 0 | 112 | E137 A138 T139 S144 S145 | E137-M141 HydrophobicContact CG-CE 4.12Å; E137-M141 WeakPolarHBondContact O-CB 3.38Å; E137-M141 VanDerWaalsContact O-CG 3.32Å; E137-M141 WeakPolarHBondContact O-CG 3.49Å; E137-M141 PolarHBondContact O-N 3.43Å; A138-M141 PolarHBondContact O-N 3.47Å; T139-M141 VanDerWaalsContact C-N 3.33Å; T139-M141 PolarHBondContact O-N 3.41Å; M141-S144 PolarHBondContact O-N 3.3Å; M141-S145 VanDerWaalsContact O-CB 3.23Å; M141-S145 WeakPolarHBondContact O-CB 3.38Å; M141-S145 PolarHBondContact O-N 3.14Å |
| 142 | A | 85.4 | Confident | 77 | Confident | 58 Ų | 58 | 108 Ų | 108 | 48% | 0.479 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.7 | -39.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A138 T139 S145 | A138-A142 WeakPolarHBondContact O-CB 3.43Å; A138-A142 PolarHBondContact O-N 3.01Å; T139-A142 PolarHBondContact O-N 3.45Å; A142-S145 PolarHBondContact O-N 3.31Å |
| 143 | W | 83.2 | Confident | 74.8 | Confident | 198 Ų | 198 | 108.1 Ų | 108.1 | 75% | 0.75 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.6 | -40.9 | 177 | -73.4 | 45.1 | 0 | 0 | 0 | 111.4 | T139 L140 S145 M146 | T139-W143 PolarHBondContact O-N 3.19Å; L140-W143 PolarHBondContact O-N 3.07Å; W143-S145 VanDerWaalsContact C-N 3.29Å; W143-S145 PolarHBondContact O-N 3.15Å; W143-M146 PolarHBondContact O-N 2.95Å |
| 144 | S | 69.9 | Low | 72.4 | Confident | 96 Ų | 96 | 108.3 Ų | 108.3 | 67% | 0.671 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.2 | -28.3 | 175 | -174.7 | 0 | 0 | 0 | 0 | 112.9 | L140 M141 M146 | L140-S144 VanDerWaalsContact O-CB 3.31Å; L140-S144 WeakPolarHBondContact O-CB 3.3Å; L140-S144 PolarHBondContact O-N 3.14Å; M141-S144 PolarHBondContact O-N 3.3Å; S144-M146 VanDerWaalsContact C-N 3.3Å; S144-M146 PolarHBondContact O-N 3.42Å |
| 145 | S | 65.8 | Low | 69.9 | Low | 100 Ų | 100 | 111.2 Ų | 111.2 | 70% | 0.699 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -15.8 | 179.6 | -176.7 | 0 | 0 | 0 | 0 | 113.6 | M141 A142 W143 | M141-S145 VanDerWaalsContact O-CB 3.23Å; M141-S145 WeakPolarHBondContact O-CB 3.38Å; M141-S145 PolarHBondContact O-N 3.14Å; A142-S145 PolarHBondContact O-N 3.31Å; W143-S145 VanDerWaalsContact C-N 3.29Å; W143-S145 PolarHBondContact O-N 3.15Å |
| 146 | M | 59 | Low | 67.7 | Low | 157 Ų | 157 | 115 Ų | 115 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -11.7 | -178.3 | -166.1 | 136.1 | 65 | 0 | 0 | 113.2 | W143 S144 G148 | W143-M146 PolarHBondContact O-N 2.95Å; S144-M146 VanDerWaalsContact C-N 3.3Å; S144-M146 PolarHBondContact O-N 3.42Å; M146-G148 PolarHBondContact O-N 2.93Å; M146-G148 VanDerWaalsContact O-N 3.11Å |
| 147 | D | 57.9 | Low | 65.3 | Low | 145 Ų | 145 | 121 Ų | 121 | 78% | 0.775 | 69% | 0.688 | S | S | * | * | trans | -87.5 | 59.9 | 173.8 | -167.6 | 39.8 | 0 | 0 | 0 | 110.4 | ||||
| 148 | G | 57.7 | Low | 62.7 | Low | 61 Ų | 61 | 124.5 Ų | 124.5 | 63% | 0.629 | 71% | 0.709 | S | S | * | * | trans | -148.6 | 52.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111 | M146 | M146-G148 PolarHBondContact O-N 2.93Å; M146-G148 VanDerWaalsContact O-N 3.11Å | ||
| 149 | E | 52.7 | Low | 60.2 | Low | 162 Ų | 162 | 127.6 Ų | 127.6 | 76% | 0.757 | 72% | 0.717 | S | S | * | * | trans | -100.9 | 126.1 | 171 | 60 | -150.6 | -170.1 | 0 | 0 | 110.8 | V151 | E149-V151 PolarHBondContact O-N 3.45Š| ||
| 150 | D | 50.6 | Low | 58 | Low | 142 Ų | 142 | 130 Ų | 130 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | trans | -65.8 | 122 | -166.2 | -47.6 | -87.3 | 0 | 0 | 0 | 113.5 | S152 | D150-S152 VanDerWaalsContact C-N 3.3Å; D150-S152 PolarHBondContact O-N 2.95Å | ||
| 151 | V | 54.7 | Low | 55.9 | Low | 143 Ų | 143 | 128.8 Ų | 128.8 | 87% | 0.867 | 74% | 0.741 | S | S | * | * | trans | -93.1 | 42.3 | 159.6 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | E149 V153 | E149-V151 PolarHBondContact O-N 3.45Å; V151-V153 VanDerWaalsContact C-N 3.27Å; V151-V153 PolarHBondContact O-N 3.27Å | ||
| 152 | S | 52 | Low | 54.1 | Low | 105 Ų | 105 | 126.4 Ų | 126.4 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | -89.9 | 60.3 | 168 | 73.1 | 0 | 0 | 0 | 0 | 111.3 | D150 N154 | D150-S152 VanDerWaalsContact C-N 3.3Å; D150-S152 PolarHBondContact O-N 2.95Å; S152-N154 PolarHBondContact O-N 3.44Å | ||
| 153 | V | 49.9 | Very low | 52.4 | Low | 127 Ų | 127 | 129.9 Ų | 129.9 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -89.1 | 77.8 | 170.5 | -165.4 | 0 | 0 | 0 | 0 | 109.1 | V151 | V151-V153 VanDerWaalsContact C-N 3.27Å; V151-V153 PolarHBondContact O-N 3.27Å | ||
| 154 | N | 45 | Very low | 50.8 | Low | 136 Ų | 136 | 128.5 Ų | 128.5 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 162 | 105.6 | 140 | 69.8 | 95.1 | 0 | 0 | 0 | 110.2 | S152 | S152-N154 PolarHBondContact O-N 3.44Š| ||
| 155 | S | 42.2 | Very low | 49.9 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -142.9 | 98.6 | 145.3 | -83.7 | 0 | 0 | 0 | 0 | 105.7 | Q157 | S155-Q157 PolarHBondContact O-N 2.88Š| ||
| 156 | N | 47.7 | Very low | 49.3 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 88% | 0.877 | 75% | 0.753 | S | S | * | * | trans | -58.2 | 104.5 | 166.1 | -75.2 | -74.1 | 0 | 0 | 0 | 107.1 | ||||
| 157 | Q | 43.6 | Very low | 49 | Very low | 178 Ų | 178 | 127.4 Ų | 127.4 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | trans | -136 | 107.9 | 164.2 | -158.1 | 167.6 | -17 | 0 | 0 | 108.5 | S155 N159 | S155-Q157 PolarHBondContact O-N 2.88Å; Q157-N159 PolarHBondContact O-N 2.86Å | ||
| 158 | D | 40.2 | Very low | 49 | Very low | 159 Ų | 159 | 127.4 Ų | 127.4 | 85% | 0.85 | 73% | 0.733 | S | S | * | * | trans | -45.7 | 128.5 | 174.5 | -63.5 | -85.3 | 0 | 0 | 0 | 112.2 | ||||
| 159 | N | 38.8 | Very low | 48.8 | Very low | 129 Ų | 129 | 130.3 Ų | 130.3 | 69% | 0.69 | 73% | 0.73 | S | S | * | * | trans | -104.6 | 118.9 | 172.6 | -178.1 | 24.8 | 0 | 0 | 0 | 109.9 | Q157 | Q157-N159 PolarHBondContact O-N 2.86Š| ||
| 160 | P | 47.1 | Very low | 49.1 | Very low | 115 Ų | 115 | 129 Ų | 129 | 75% | 0.747 | 72% | 0.724 | S | S | * | * | trans | -93.6 | 111.4 | 159.1 | 32.4 | -23.3 | 0 | 0 | 0 | 110 | ||||
| 161 | A | 44.7 | Very low | 49.9 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 79% | 0.793 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 39 | 111.7 | 141.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||
| 162 | G | 47 | Very low | 50.2 | Low | 68 Ų | 68 | 125.9 Ų | 125.9 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | trans | 111.1 | 70.5 | 133.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 163 | N | 51.3 | Low | 50.3 | Low | 131 Ų | 131 | 125.4 Ų | 125.4 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | trans | -177 | 65.7 | 146.1 | -120 | -42 | 0 | 0 | 0 | 112.7 | ||||
| 164 | Y | 48.4 | Very low | 50.6 | Low | 169 Ų | 169 | 122 Ų | 122 | 66% | 0.663 | 67% | 0.668 | S | S | * | * | trans | -130.9 | 15.8 | 178.9 | -84.2 | -79.1 | 0 | 0 | 0 | 113.9 | Y168 | Y164-Y168 HydrophobicContact CD1-CE2 4.19Å; Y164-Y168 WeakPolarHBondContact O-CD2 3.23Å; Y164-Y168 WeakPolarHBondContact O-CE2 3.26Å | ||
| 165 | S | 51.7 | Low | 50.8 | Low | 98 Ų | 98 | 121.8 Ų | 121.8 | 69% | 0.685 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -96 | -31.6 | 178 | -164.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 166 | D | 52.6 | Low | 51.2 | Low | 125 Ų | 125 | 121.2 Ų | 121.2 | 67% | 0.668 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -86.1 | -17.8 | -168.5 | -61.7 | -38.7 | 0 | 0 | 0 | 113.6 | ||
| 167 | N | 53.3 | Low | 51.2 | Low | 107 Ų | 107 | 119.2 Ų | 119.2 | 57% | 0.572 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -86.6 | -25.7 | -175.8 | -151.1 | -98.8 | 0 | 0 | 0 | 113.9 | L171 | N167-L171 WeakPolarHBondContact O-CB 3.32Å; N167-L171 PolarHBondContact O-N 3.43Å |
| 168 | Y | 57.6 | Low | 51.2 | Low | 146 Ų | 146 | 117.1 Ų | 117.1 | 57% | 0.573 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.6 | -32.3 | -179.9 | -68.4 | -79.8 | 0 | 0 | 0 | 113 | Y164 M172 | Y164-Y168 HydrophobicContact CD1-CE2 4.19Å; Y164-Y168 WeakPolarHBondContact O-CD2 3.23Å; Y164-Y168 WeakPolarHBondContact O-CE2 3.26Å; Y168-M172 PolarHBondContact O-N 3.28Å |
| 169 | Q | 54.6 | Low | 51.7 | Low | 122 Ų | 122 | 112 Ų | 112 | 57% | 0.57 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69 | -41.5 | 177.8 | -171.4 | 64.4 | 37.7 | 0 | 0 | 111.1 | M172 E173 | Q169-M172 PolarHBondContact O-N 3Å; Q169-E173 PolarHBondContact NE2-OE1 3.35Å; Q169-E173 PolarHBondContact O-N 3.41Å; Q169-E173 VanDerWaalsContact O-N 3.1Å |
| 170 | E | 58.5 | Low | 51.9 | Low | 133 Ų | 133 | 111.4 Ų | 111.4 | 62% | 0.621 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -72.8 | -30.6 | 177.5 | -162.8 | 174.4 | -164.9 | 0 | 0 | 112.3 | S174 | E170-S174 WeakPolarHBondContact O-CB 3.44Å; E170-S174 PolarHBondContact O-N 3.34Å; E170-S174 PolarHBondContact O-OG 2.71Å |
| 171 | L | 66.2 | Low | 51.5 | Low | 99 Ų | 99 | 111.7 Ų | 111.7 | 52% | 0.518 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70.4 | -37.2 | 173.2 | -172.9 | 64.4 | 0 | 0 | 0 | 112.6 | N167 S174 Q175 | N167-L171 WeakPolarHBondContact O-CB 3.32Å; N167-L171 PolarHBondContact O-N 3.43Å; L171-S174 WeakPolarHBondContact CA-OG 3.33Å; L171-S174 PolarHBondContact O-OG 2.95Å; L171-Q175 WeakPolarHBondContact O-CB 3.47Å; L171-Q175 PolarHBondContact O-N 2.9Å; L171-Q175 VanDerWaalsContact O-N 3.11Å |
| 172 | M | 61.4 | Low | 51.3 | Low | 121 Ų | 121 | 113.9 Ų | 113.9 | 60% | 0.596 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.7 | -44.3 | 172.5 | -93.1 | -75 | -65.2 | 0 | 0 | 111.6 | Y168 Q169 E176 | Y168-M172 PolarHBondContact O-N 3.28Å; Q169-M172 PolarHBondContact O-N 3Å; M172-E176 PolarHBondContact O-N 2.91Å; M172-E176 VanDerWaalsContact O-N 3.15Å |
| 173 | E | 55.6 | Low | 50.9 | Low | 95 Ų | 95 | 120.3 Ų | 120.3 | 44% | 0.444 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.2 | -40.2 | 178.4 | -80.3 | 172.9 | -166.3 | 0 | 0 | 112.1 | Q169 Q175 E176 H177 | Q169-E173 PolarHBondContact NE2-OE1 3.35Å; Q169-E173 PolarHBondContact O-N 3.41Å; Q169-E173 VanDerWaalsContact O-N 3.1Å; E173-Q175 PolarHBondContact O-N 3.18Å; E173-E176 PolarHBondContact O-N 2.77Å; E173-H177 PolarHBondContact O-N 3.25Å; E173-H177 VanDerWaalsContact O-N 3.15Å; E173-H177 PolarHBondContact O-ND1 3.5Å |
| 174 | S | 56 | Low | 50.2 | Low | 55 Ų | 55 | 121.8 Ų | 121.8 | 39% | 0.385 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.7 | -32.8 | 177.4 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | E170 L171 M178 | E170-S174 WeakPolarHBondContact O-CB 3.44Å; E170-S174 PolarHBondContact O-N 3.34Å; E170-S174 PolarHBondContact O-OG 2.71Å; L171-S174 WeakPolarHBondContact CA-OG 3.33Å; L171-S174 PolarHBondContact O-OG 2.95Å; S174-M178 PolarHBondContact O-N 2.94Å |
| 175 | Q | 47.4 | Very low | 49.6 | Very low | 132 Ų | 132 | 119.1 Ų | 119.1 | 62% | 0.617 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.3 | -35.7 | 171.6 | -177.9 | 167.9 | 91.9 | 0 | 0 | 111.9 | L171 E173 A179 | L171-Q175 WeakPolarHBondContact O-CB 3.47Å; L171-Q175 PolarHBondContact O-N 2.9Å; L171-Q175 VanDerWaalsContact O-N 3.11Å; E173-Q175 PolarHBondContact O-N 3.18Å; Q175-A179 WeakPolarHBondContact O-CB 3.36Å; Q175-A179 PolarHBondContact O-N 3.43Å; Q175-A179 VanDerWaalsContact O-N 3.12Å |
| 176 | E | 50.8 | Low | 48.9 | Very low | 103 Ų | 103 | 123.9 Ų | 123.9 | 48% | 0.481 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.2 | -36.6 | 178.4 | -154.5 | 179.4 | 178.8 | 0 | 0 | 112.4 | M172 E173 M178 A179 Q180 | M172-E176 PolarHBondContact O-N 2.91Å; M172-E176 VanDerWaalsContact O-N 3.15Å; E173-E176 PolarHBondContact O-N 2.77Å; E176-M178 PolarHBondContact O-N 3.19Å; E176-A179 PolarHBondContact O-N 3.38Å; E176-Q180 WeakPolarHBondContact O-CB 3.36Å; E176-Q180 WeakPolarHBondContact O-CG 3.36Å; E176-Q180 PolarHBondContact O-N 3.45Å; E176-Q180 PolarHBondContact OE1-NE2 2.9Å |
| 177 | H | 47.9 | Very low | 48.4 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 57% | 0.565 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -71.3 | -28.1 | 177.8 | -71.7 | 87.9 | 0 | 0 | 0 | 113.7 | E173 | E173-H177 PolarHBondContact O-N 3.25Å; E173-H177 VanDerWaalsContact O-N 3.15Å; E173-H177 PolarHBondContact O-ND1 3.5Å |
| 178 | M | 45.2 | Very low | 48 | Very low | 135 Ų | 135 | 126.8 Ų | 126.8 | 67% | 0.665 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -79.4 | -31.1 | 170.9 | -73.1 | -167.8 | -71.4 | 0 | 0 | 112.5 | S174 E176 T181 | S174-M178 PolarHBondContact O-N 2.94Å; E176-M178 PolarHBondContact O-N 3.19Å; M178-T181 PolarHBondContact O-OG1 3.1Å |
| 179 | A | 49.2 | Very low | 47.4 | Very low | 52 Ų | 52 | 124.6 Ų | 124.6 | 43% | 0.43 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -73.6 | -30.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q175 E176 | Q175-A179 WeakPolarHBondContact O-CB 3.36Å; Q175-A179 PolarHBondContact O-N 3.43Å; Q175-A179 VanDerWaalsContact O-N 3.12Å; E176-A179 PolarHBondContact O-N 3.38Å |
| 180 | Q | 43 | Very low | 47.1 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 54% | 0.537 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -76.4 | -25.1 | -177.8 | -77.6 | 172.1 | 2.3 | 0 | 0 | 114.1 | E176 Q182 | E176-Q180 WeakPolarHBondContact O-CB 3.36Å; E176-Q180 WeakPolarHBondContact O-CG 3.36Å; E176-Q180 PolarHBondContact O-N 3.45Å; E176-Q180 PolarHBondContact OE1-NE2 2.9Å; Q180-Q182 VanDerWaalsContact C-N 3.29Å; Q180-Q182 PolarHBondContact O-N 3.15Å |
| 181 | T | 39.1 | Very low | 46.6 | Very low | 122 Ų | 122 | 130 Ų | 130 | 75% | 0.748 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -5.7 | 177.8 | 51.7 | 0 | 0 | 0 | 0 | 113.8 | M178 | M178-T181 PolarHBondContact O-OG1 3.1Š|
| 182 | Q | 40.8 | Very low | 45.3 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 66% | 0.664 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 1 | -179.5 | -55.4 | -165.8 | -68.4 | 0 | 0 | 114.1 | Q180 | Q180-Q182 VanDerWaalsContact C-N 3.29Å; Q180-Q182 PolarHBondContact O-N 3.15Å |
| 183 | Y | 38.8 | Very low | 44.3 | Very low | 203 Ų | 203 | 135 Ų | 135 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -94 | -6.5 | -170.3 | -131 | -90.1 | 0 | 0 | 0 | 116.4 | ||
| 184 | D | 36.8 | Very low | 43.9 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 87% | 0.866 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -113.5 | 11.9 | -174.8 | -82 | -34.8 | 0 | 0 | 0 | 116.1 | ||
| 185 | S | 35.7 | Very low | 43.3 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | trans | -155.2 | 46.9 | 176.4 | -161.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 186 | W | 37.4 | Very low | 43.1 | Very low | 199 Ų | 199 | 142.9 Ų | 142.9 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -79.3 | 133.7 | 153.6 | -88.4 | 65.6 | 0 | 0 | 0 | 108.8 | H188 | W186-H188 VanDerWaalsContact C-N 3.27Å; W186-H188 PolarHBondContact O-N 3.11Å |
| 187 | P | 42.3 | Very low | 42.6 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | trans | -69.5 | 87.3 | 177 | 29.2 | -31.9 | 0 | 0 | 0 | 109.7 | S189 | P187-S189 PolarHBondContact O-N 3.42Š| ||
| 188 | H | 43.8 | Very low | 42.4 | Very low | 172 Ų | 172 | 146.5 Ų | 146.5 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | trans | -79 | 58.5 | 166 | -84 | 83.4 | 0 | 0 | 0 | 110.6 | W186 | W186-H188 VanDerWaalsContact C-N 3.27Å; W186-H188 PolarHBondContact O-N 3.11Å | ||
| 189 | S | 45.4 | Very low | 41.7 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -149.9 | 118.1 | 162.2 | -82 | 0 | 0 | 0 | 0 | 108.8 | P187 | P187-S189 PolarHBondContact O-N 3.42Š|
| 190 | Y | 47.3 | Very low | 41.1 | Very low | 228 Ų | 228 | 147.1 Ų | 147.1 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | S | Bend | trans | 89.6 | 54.1 | -176.5 | -67 | -88.5 | 0 | 0 | 0 | 117.5 | ||
| 191 | V | 48.1 | Very low | 40.6 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -151.2 | 111 | 137.2 | 141.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 192 | S | 39.4 | Very low | 40.7 | Very low | 117 Ų | 117 | 148 Ų | 148 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | 170.3 | 90.3 | 144.7 | -80.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 193 | Q | 39.3 | Very low | 40.4 | Very low | 209 Ų | 209 | 146 Ų | 146 | 98% | 0.977 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -148.7 | 99.6 | 132.2 | -152.5 | 169.4 | 95.9 | 0 | 0 | 108.7 | ||
| 194 | G | 47.4 | Very low | 40.8 | Very low | 61 Ų | 61 | 147.4 Ų | 147.4 | 63% | 0.629 | 82% | 0.819 | S | S | * | * | trans | 118.8 | 88.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 195 | M | 44.1 | Very low | 40.6 | Very low | 180 Ų | 180 | 148.6 Ų | 148.6 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | -159 | 100.5 | 133.7 | -85.8 | -42.7 | -72.1 | 0 | 0 | 108 | ||||
| 196 | Y | 43.4 | Very low | 40.8 | Very low | 207 Ų | 207 | 150 Ų | 150 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | trans | -107.7 | 123.4 | 153.5 | 55.6 | -93.2 | 0 | 0 | 0 | 106 | ||||
| 197 | C | 41.2 | Very low | 40.6 | Very low | 113 Ų | 113 | 146 Ų | 146 | 76% | 0.764 | 83% | 0.826 | S | S | * | * | trans | -177.6 | 72.9 | 152.6 | -92.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 198 | L | 42.5 | Very low | 40.4 | Very low | 187 Ų | 187 | 147.3 Ų | 147.3 | 98% | 0.979 | 83% | 0.826 | S | S | * | * | trans | -88.6 | 117.2 | 149.8 | -68 | 177.1 | 0 | 0 | 0 | 106.1 | ||||
| 199 | G | 31.4 | Very low | 40.2 | Very low | 73 Ų | 73 | 147.9 Ų | 147.9 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | trans | -170 | 81.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S201 | G199-S201 PolarHBondContact O-N 3.28Š| ||
| 200 | S | 36.9 | Very low | 39.6 | Very low | 128 Ų | 128 | 148.9 Ų | 148.9 | 90% | 0.895 | 84% | 0.836 | S | S | * | * | trans | -55.9 | 130.4 | 162.3 | -57.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 201 | S | 30.6 | Very low | 39.6 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 80% | 0.797 | 84% | 0.838 | S | S | * | * | trans | -145.4 | 116.2 | 153.4 | -163.8 | 0 | 0 | 0 | 0 | 108.2 | G199 A203 | G199-S201 PolarHBondContact O-N 3.28Å; S201-A203 PolarHBondContact O-N 3.02Å | ||
| 202 | D | 41.6 | Very low | 39.2 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 76% | 0.759 | 84% | 0.838 | S | S | * | * | trans | -54.5 | 125.2 | 167.5 | -57.2 | -72.7 | 0 | 0 | 0 | 109.7 | ||||
| 203 | A | 34.4 | Very low | 39 | Very low | 99 Ų | 99 | 147.2 Ų | 147.2 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | trans | -140 | 84.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | S201 | S201-A203 PolarHBondContact O-N 3.02Š| ||
| 204 | W | 46.8 | Very low | 38.5 | Very low | 233 Ų | 233 | 142.3 Ų | 142.3 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -72.6 | 120.4 | 162.7 | -69.1 | 68.9 | 0 | 0 | 0 | 107.8 | ||||
| 205 | E | 33.3 | Very low | 38.1 | Very low | 187 Ų | 187 | 145.8 Ų | 145.8 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | trans | -165.5 | 108.4 | 140.4 | -110.4 | 168 | -177.3 | 0 | 0 | 109.1 | S207 | E205-S207 PolarHBondContact O-N 3.45Š| ||
| 206 | T | 40.1 | Very low | 37.7 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 86% | 0.859 | 84% | 0.835 | S | S | * | * | trans | -64.7 | 119.9 | 162.4 | 43.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 207 | S | 32.3 | Very low | 37.4 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | -135.4 | 126.3 | 156.3 | -86.2 | 0 | 0 | 0 | 0 | 109.2 | E205 | E205-S207 PolarHBondContact O-N 3.45Š| ||
| 208 | D | 40.1 | Very low | 37.1 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 79% | 0.791 | 83% | 0.832 | S | S | * | * | trans | -62.9 | 156.6 | -172.4 | -69 | -62 | 0 | 0 | 0 | 114 | ||||
| 209 | Q | 37.7 | Very low | 36.8 | Very low | 184 Ų | 184 | 131.4 Ų | 131.4 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | 71.3 | 98.4 | 161.3 | -71.6 | 171.6 | 57.5 | 0 | 0 | 118.2 | ||||
| 210 | S | 33 | Very low | 37.1 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | -172.7 | 114.1 | 111.7 | 34.2 | 0 | 0 | 0 | 0 | 113.2 | I212 | S210-I212 PolarHBondContact O-N 3.31Š| |||
| 211 | L | 48.6 | Very low | 37.2 | Very low | 179 Ų | 179 | 138.3 Ų | 138.3 | 94% | 0.937 | 82% | 0.824 | S | S | * | * | trans | -25.1 | 112.5 | 162.7 | -58 | 160.9 | 0 | 0 | 0 | 116.4 | ||||
| 212 | I | 39.6 | Very low | 37.8 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -138.9 | 128.7 | 138.5 | 40.4 | 172.4 | 0 | 0 | 0 | 108.8 | S210 S214 | S210-I212 PolarHBondContact O-N 3.31Å; I212-S214 PolarHBondContact O-N 2.98Å | ||
| 213 | A | 34.3 | Very low | 37.8 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | trans | -66.5 | 123.6 | -161.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 214 | S | 30 | Very low | 38.2 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -92.4 | 145.4 | 147.6 | -66.6 | 0 | 0 | 0 | 0 | 108.3 | I212 A216 | I212-S214 PolarHBondContact O-N 2.98Å; S214-A216 PolarHBondContact O-N 3.44Å | ||
| 215 | P | 37.2 | Very low | 37.9 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | trans | -69.4 | 100.6 | 166.3 | 28.7 | -29 | 0 | 0 | 0 | 108 | A217 | P215-A217 PolarHBondContact O-N 2.96Š| ||
| 216 | A | 36.8 | Very low | 38.6 | Very low | 93 Ų | 93 | 132 Ų | 132 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -77.2 | 109.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108 | S214 G218 | S214-A216 PolarHBondContact O-N 3.44Å; A216-G218 PolarHBondContact O-N 3.07Å | ||
| 217 | A | 36.7 | Very low | 39.1 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -70.7 | 115.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | P215 | P215-A217 PolarHBondContact O-N 2.96Š| ||
| 218 | G | 34.7 | Very low | 39.8 | Very low | 63 Ų | 63 | 129.8 Ų | 129.8 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | trans | -62.1 | 135.8 | -162.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A216 Y220 | A216-G218 PolarHBondContact O-N 3.07Å; G218-Y220 PolarHBondContact O-N 3.4Å | ||
| 219 | S | 36.9 | Very low | 40.1 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 88% | 0.881 | 76% | 0.763 | S | S | * | * | trans | -65.8 | 116.2 | 149.6 | 175.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 220 | Y | 37.8 | Very low | 40.8 | Very low | 170 Ų | 170 | 124 Ų | 124 | 67% | 0.667 | 75% | 0.746 | S | S | * | * | trans | -105.9 | 120.4 | 155.4 | 63.1 | -89.8 | 0 | 0 | 0 | 108 | G218 G222 | G218-Y220 PolarHBondContact O-N 3.4Å; Y220-G222 PolarHBondContact O-N 2.91Å | ||
| 221 | L | 39 | Very low | 41.8 | Very low | 175 Ų | 175 | 123.3 Ų | 123.3 | 92% | 0.916 | 73% | 0.733 | S | S | * | * | trans | -71.2 | 120.9 | 166.7 | -174.2 | 68 | 0 | 0 | 0 | 108.1 | ||||
| 222 | G | 42.4 | Very low | 42.3 | Very low | 55 Ų | 55 | 120.3 Ų | 120.3 | 57% | 0.567 | 72% | 0.717 | S | S | * | * | trans | 95.8 | 91.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y220 | Y220-G222 PolarHBondContact O-N 2.91Š| ||
| 223 | Q | 43.1 | Very low | 43.5 | Very low | 158 Ų | 158 | 118.5 Ų | 118.5 | 74% | 0.738 | 71% | 0.705 | S | S | * | * | S | Bend | 171.9 | 127 | 116.7 | -91.4 | -170.4 | 20.9 | 0 | 0 | 110.2 | |||
| 224 | N | 42.8 | Very low | 45.1 | Very low | 141 Ų | 141 | 119 Ų | 119 | 75% | 0.754 | 69% | 0.689 | S | S | * | * | trans | 51 | 100.9 | 164.6 | -65.8 | -65.9 | 0 | 0 | 0 | 117.6 | ||||
| 225 | F | 39.6 | Very low | 46.9 | Very low | 157 Ų | 157 | 117.2 Ų | 117.2 | 69% | 0.689 | 68% | 0.676 | S | S | * | * | trans | -109.2 | 17 | -171.9 | -123.1 | -85.5 | 0 | 0 | 0 | 115.2 | ||||
| 226 | D | 47.1 | Very low | 48.7 | Very low | 133 Ų | 133 | 115.8 Ų | 115.8 | 71% | 0.711 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -95.4 | -35.7 | -173.4 | -143.8 | -116.7 | 0 | 0 | 0 | 113.3 | ||
| 227 | D | 50.6 | Low | 50.8 | Low | 129 Ų | 129 | 116.9 Ų | 116.9 | 69% | 0.69 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -86 | -19.8 | -171.6 | -62.3 | -50.9 | 0 | 0 | 0 | 114.9 | T230 | D227-T230 PolarHBondContact O-OG1 2.73Å |
| 228 | S | 48.2 | Very low | 53.1 | Low | 80 Ų | 80 | 116.9 Ų | 116.9 | 56% | 0.559 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -86.3 | -23.8 | -175 | -58.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 229 | Q | 46.5 | Very low | 55.3 | Low | 129 Ų | 129 | 119.8 Ų | 119.8 | 60% | 0.603 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -75.3 | -37.9 | 175.4 | -88.9 | -152 | 25.1 | 0 | 0 | 112.3 | N231 L232 Q233 | Q229-N231 VanDerWaalsContact C-N 3.3Å; Q229-N231 PolarHBondContact O-N 3.49Å; Q229-L232 PolarHBondContact O-N 2.9Å; Q229-Q233 PolarHBondContact O-N 3.48Å; Q229-Q233 VanDerWaalsContact O-N 3.12Å |
| 230 | T | 52.3 | Low | 57.2 | Low | 82 Ų | 82 | 116.7 Ų | 116.7 | 50% | 0.503 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.1 | -38.5 | 179.4 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | D227 L232 Q233 E234 | D227-T230 PolarHBondContact O-OG1 2.73Å; T230-L232 PolarHBondContact O-N 3.24Å; T230-Q233 PolarHBondContact O-N 2.82Å; T230-E234 VanDerWaalsContact O-CB 3.24Å; T230-E234 WeakPolarHBondContact O-CB 3.46Å; T230-E234 PolarHBondContact O-N 2.87Å |
| 231 | N | 53.5 | Low | 59.5 | Low | 106 Ų | 106 | 111.7 Ų | 111.7 | 57% | 0.567 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.4 | -35.2 | 179.1 | -164.7 | -100.9 | 0 | 0 | 0 | 113.5 | Q229 S235 | Q229-N231 VanDerWaalsContact C-N 3.3Å; Q229-N231 PolarHBondContact O-N 3.49Å; N231-S235 VanDerWaalsContact O-CB 3.26Å; N231-S235 WeakPolarHBondContact O-CB 3.49Å; N231-S235 PolarHBondContact O-N 3.45Å |
| 232 | L | 59 | Low | 61.9 | Low | 116 Ų | 116 | 108.9 Ų | 108.9 | 61% | 0.607 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.5 | -44.9 | 174.5 | -81.3 | 155.7 | 0 | 0 | 0 | 111.4 | Q229 T230 E234 S235 I236 | Q229-L232 PolarHBondContact O-N 2.9Å; T230-L232 PolarHBondContact O-N 3.24Å; L232-E234 VanDerWaalsContact C-N 3.32Å; L232-E234 PolarHBondContact O-N 3.39Å; L232-S235 PolarHBondContact O-N 2.93Å; L232-I236 WeakPolarHBondContact O-CD1 3.34Å; L232-I236 VanDerWaalsContact O-CG1 3.29Å; L232-I236 WeakPolarHBondContact O-CG1 3.3Å; L232-I236 PolarHBondContact O-N 3.34Å |
| 233 | Q | 64.9 | Low | 63.9 | Low | 126 Ų | 126 | 110.7 Ų | 110.7 | 59% | 0.589 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.7 | -42 | 176.4 | -161.1 | 93.1 | 50 | 0 | 0 | 111.4 | Q229 T230 I236 L237 | Q229-Q233 PolarHBondContact O-N 3.48Å; Q229-Q233 VanDerWaalsContact O-N 3.12Å; T230-Q233 PolarHBondContact O-N 2.82Å; Q233-I236 PolarHBondContact O-N 2.75Å; Q233-L237 PolarHBondContact O-N 3.28Å |
| 234 | E | 67.6 | Low | 66 | Low | 117 Ų | 117 | 109.7 Ų | 109.7 | 55% | 0.547 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.7 | -39.3 | 179.7 | -159.3 | 174.1 | -154.7 | 0 | 0 | 111.3 | T230 L232 I236 L237 I238 | T230-E234 VanDerWaalsContact O-CB 3.24Å; T230-E234 WeakPolarHBondContact O-CB 3.46Å; T230-E234 PolarHBondContact O-N 2.87Å; L232-E234 VanDerWaalsContact C-N 3.32Å; L232-E234 PolarHBondContact O-N 3.39Å; E234-I236 PolarHBondContact O-N 3Å; E234-L237 PolarHBondContact O-N 2.5Å; E234-I238 HydrophobicContact CG-CD1 4.19Å; E234-I238 WeakPolarHBondContact O-CB 3.42Å; E234-I238 WeakPolarHBondContact O-CD1 3.35Å; E234-I238 WeakPolarHBondContact O-CG1 3.45Å; E234-I238 PolarHBondContact O-N 3.18Å |
| 235 | S | 68.5 | Low | 68.1 | Low | 67 Ų | 67 | 109.6 Ų | 109.6 | 47% | 0.469 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.4 | -40.4 | 173.3 | -174.4 | 0 | 0 | 0 | 0 | 112.6 | N231 L232 I238 Q239 | N231-S235 VanDerWaalsContact O-CB 3.26Å; N231-S235 WeakPolarHBondContact O-CB 3.49Å; N231-S235 PolarHBondContact O-N 3.45Å; L232-S235 PolarHBondContact O-N 2.93Å; S235-I238 PolarHBondContact O-N 3.47Å; S235-Q239 WeakPolarHBondContact O-CB 3.36Å; S235-Q239 PolarHBondContact O-N 3.06Å |
| 236 | I | 75.3 | Confident | 70.4 | Confident | 105 Ų | 105 | 108.5 Ų | 108.5 | 54% | 0.538 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.6 | -39.8 | 175.4 | -66.2 | 163.6 | 0 | 0 | 0 | 110.9 | L232 Q233 E234 Q239 S240 | L232-I236 WeakPolarHBondContact O-CD1 3.34Å; L232-I236 VanDerWaalsContact O-CG1 3.29Å; L232-I236 WeakPolarHBondContact O-CG1 3.3Å; L232-I236 PolarHBondContact O-N 3.34Å; Q233-I236 PolarHBondContact O-N 2.75Å; E234-I236 PolarHBondContact O-N 3Å; I236-Q239 PolarHBondContact O-N 3.05Å; I236-S240 WeakPolarHBondContact O-CB 3.44Å; I236-S240 PolarHBondContact O-N 3.43Å; I236-S240 PolarHBondContact O-OG 2.83Å; I236-S240 VanDerWaalsContact O-OG 3.06Å |
| 237 | L | 81.5 | Confident | 72.1 | Confident | 115 Ų | 115 | 108.8 Ų | 108.8 | 60% | 0.602 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.1 | -38.4 | 176.7 | -130.9 | 108.4 | 0 | 0 | 0 | 111.9 | Q233 E234 S240 S241 | Q233-L237 PolarHBondContact O-N 3.28Å; E234-L237 PolarHBondContact O-N 2.5Å; L237-S240 WeakPolarHBondContact CA-OG 3.44Å; L237-S240 PolarHBondContact O-OG 3.22Å; L237-S241 WeakPolarHBondContact O-CB 3.41Å; L237-S241 PolarHBondContact O-N 3.49Å; L237-S241 PolarHBondContact O-OG 3.34Å |
| 238 | I | 85 | Confident | 73.8 | Confident | 104 Ų | 104 | 107.9 Ų | 107.9 | 53% | 0.533 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.1 | -42.6 | 175.7 | -69 | 163.9 | 0 | 0 | 0 | 110.4 | E234 S235 S241 L242 | E234-I238 HydrophobicContact CG-CD1 4.19Å; E234-I238 WeakPolarHBondContact O-CB 3.42Å; E234-I238 WeakPolarHBondContact O-CD1 3.35Å; E234-I238 WeakPolarHBondContact O-CG1 3.45Å; E234-I238 PolarHBondContact O-N 3.18Å; S235-I238 PolarHBondContact O-N 3.47Å; I238-S241 WeakPolarHBondContact CA-OG 3.23Å; I238-S241 PolarHBondContact O-OG 3.04Å; I238-L242 WeakPolarHBondContact O-CB 3.44Å; I238-L242 PolarHBondContact O-N 2.93Å |
| 239 | Q | 80.3 | Confident | 75.5 | Confident | 124 Ų | 124 | 110 Ų | 110 | 58% | 0.579 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.2 | -45 | 177.5 | -164.6 | -158.6 | 101.2 | 0 | 0 | 111.6 | S235 I236 L242 I243 | S235-Q239 WeakPolarHBondContact O-CB 3.36Å; S235-Q239 PolarHBondContact O-N 3.06Å; I236-Q239 PolarHBondContact O-N 3.05Å; Q239-L242 PolarHBondContact O-N 2.96Å; Q239-I243 HydrophobicContact CG-CD1 4.28Å; Q239-I243 PolarHBondContact O-N 2.98Å; Q239-I243 VanDerWaalsContact O-N 3.07Å |
| 240 | S | 75.6 | Confident | 77.1 | Confident | 62 Ų | 62 | 109.7 Ų | 109.7 | 43% | 0.434 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.2 | -40.2 | 179.4 | 60.1 | 0 | 0 | 0 | 0 | 112.7 | I236 L237 L242 I243 Q244 | I236-S240 WeakPolarHBondContact O-CB 3.44Å; I236-S240 PolarHBondContact O-N 3.43Å; I236-S240 PolarHBondContact O-OG 2.83Å; I236-S240 VanDerWaalsContact O-OG 3.06Å; L237-S240 WeakPolarHBondContact CA-OG 3.44Å; L237-S240 PolarHBondContact O-OG 3.22Å; S240-L242 PolarHBondContact O-N 3.07Å; S240-I243 PolarHBondContact O-N 3.06Å; S240-Q244 WeakPolarHBondContact O-CB 3.32Å; S240-Q244 PolarHBondContact O-N 2.98Å |
| 241 | S | 86.4 | Confident | 78.4 | Confident | 64 Ų | 64 | 112.2 Ų | 112.2 | 45% | 0.448 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.5 | -34.8 | 175.4 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | L237 I238 Q244 Q245 | L237-S241 WeakPolarHBondContact O-CB 3.41Å; L237-S241 PolarHBondContact O-N 3.49Å; L237-S241 PolarHBondContact O-OG 3.34Å; I238-S241 WeakPolarHBondContact CA-OG 3.23Å; I238-S241 PolarHBondContact O-OG 3.04Å; S241-Q244 PolarHBondContact O-N 2.94Å; S241-Q245 WeakPolarHBondContact O-CB 3.41Å; S241-Q245 PolarHBondContact O-N 2.9Å |
| 242 | L | 90.8 | Very high | 79.7 | Confident | 116 Ų | 116 | 114.4 Ų | 114.4 | 61% | 0.607 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.6 | -43.5 | 174.8 | -172 | 66.7 | 0 | 0 | 0 | 111.9 | I238 Q239 S240 Q244 Q245 Q246 | I238-L242 WeakPolarHBondContact O-CB 3.44Å; I238-L242 PolarHBondContact O-N 2.93Å; Q239-L242 PolarHBondContact O-N 2.96Å; S240-L242 PolarHBondContact O-N 3.07Å; L242-Q244 VanDerWaalsContact C-N 3.34Å; L242-Q245 PolarHBondContact O-N 3.46Å; L242-Q246 PolarHBondContact O-N 2.88Å |
| 243 | I | 84.6 | Confident | 80.4 | Confident | 93 Ų | 93 | 115.7 Ų | 115.7 | 48% | 0.477 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.1 | -42.3 | 174.8 | -98.4 | 135.5 | 0 | 0 | 0 | 111.5 | Q239 S240 Q245 Q246 Q247 | Q239-I243 HydrophobicContact CG-CD1 4.28Å; Q239-I243 PolarHBondContact O-N 2.98Å; Q239-I243 VanDerWaalsContact O-N 3.07Å; S240-I243 PolarHBondContact O-N 3.06Å; I243-Q245 VanDerWaalsContact C-N 3.33Å; I243-Q245 PolarHBondContact O-N 3.21Å; I243-Q246 PolarHBondContact O-N 3.44Å; I243-Q247 PolarHBondContact O-N 3.38Å; I243-Q247 VanDerWaalsContact O-N 3.07Å |
| 244 | Q | 86.4 | Confident | 80.6 | Confident | 137 Ų | 137 | 115.4 Ų | 115.4 | 64% | 0.64 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.4 | -39.4 | 177.6 | -172.1 | 170.2 | 86.6 | 0 | 0 | 111.6 | S240 S241 L242 Q247 L248 | S240-Q244 WeakPolarHBondContact O-CB 3.32Å; S240-Q244 PolarHBondContact O-N 2.98Å; S241-Q244 PolarHBondContact O-N 2.94Å; L242-Q244 VanDerWaalsContact C-N 3.34Å; Q244-Q247 PolarHBondContact O-N 3.4Å; Q244-L248 PolarHBondContact O-N 2.96Å |
| 245 | Q | 86.8 | Confident | 80.5 | Confident | 139 Ų | 139 | 115.9 Ų | 115.9 | 65% | 0.65 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.9 | -40.5 | 176.1 | -166.8 | -176.8 | 111.6 | 0 | 0 | 112 | S241 L242 I243 L248 Q249 | S241-Q245 WeakPolarHBondContact O-CB 3.41Å; S241-Q245 PolarHBondContact O-N 2.9Å; L242-Q245 PolarHBondContact O-N 3.46Å; I243-Q245 VanDerWaalsContact C-N 3.33Å; I243-Q245 PolarHBondContact O-N 3.21Å; Q245-L248 PolarHBondContact O-N 3.44Å; Q245-Q249 PolarHBondContact O-N 2.88Å; Q245-Q249 VanDerWaalsContact O-N 3.14Å |
| 246 | Q | 87.1 | Confident | 80.3 | Confident | 134 Ų | 134 | 117.4 Ų | 117.4 | 63% | 0.626 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.1 | -40.9 | 177.8 | -173.4 | 172.5 | 86.2 | 0 | 0 | 111.9 | L242 I243 L248 Q249 Q250 | L242-Q246 PolarHBondContact O-N 2.88Å; I243-Q246 PolarHBondContact O-N 3.44Å; Q246-L248 VanDerWaalsContact C-N 3.34Å; Q246-L248 PolarHBondContact O-N 2.85Å; Q246-Q249 PolarHBondContact O-N 3.04Å; Q246-Q250 PolarHBondContact O-N 2.97Å; Q246-Q250 VanDerWaalsContact O-N 3.14Å |
| 247 | Q | 82.8 | Confident | 79.6 | Confident | 139 Ų | 139 | 119 Ų | 119 | 65% | 0.65 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59.9 | -43.3 | 175 | -110.6 | 178.4 | 9.9 | 0 | 0 | 112.2 | I243 Q244 Q249 Q250 Q251 | I243-Q247 PolarHBondContact O-N 3.38Å; I243-Q247 VanDerWaalsContact O-N 3.07Å; Q244-Q247 PolarHBondContact O-N 3.4Å; Q247-Q249 VanDerWaalsContact C-N 3.31Å; Q247-Q249 PolarHBondContact O-N 3.37Å; Q247-Q250 PolarHBondContact O-N 3.47Å; Q247-Q251 PolarHBondContact O-N 3.48Å; Q247-Q251 VanDerWaalsContact O-N 3.07Å |
| 248 | L | 86.1 | Confident | 78.5 | Confident | 111 Ų | 111 | 118.1 Ų | 118.1 | 58% | 0.581 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65 | -36.9 | -179.8 | -141.1 | 109.4 | 0 | 0 | 0 | 112 | Q244 Q245 Q246 Q251 R252 | Q244-L248 PolarHBondContact O-N 2.96Å; Q245-L248 PolarHBondContact O-N 3.44Å; Q246-L248 VanDerWaalsContact C-N 3.34Å; Q246-L248 PolarHBondContact O-N 2.85Å; L248-Q251 PolarHBondContact O-N 3.4Å; L248-R252 PolarHBondContact O-N 3.33Å |
| 249 | Q | 84.6 | Confident | 77.2 | Confident | 125 Ų | 125 | 120.7 Ų | 120.7 | 58% | 0.584 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.6 | -37.7 | 176.8 | -164.3 | 173.8 | 30.8 | 0 | 0 | 111.9 | Q245 Q246 Q247 R252 Q253 | Q245-Q249 PolarHBondContact O-N 2.88Å; Q245-Q249 VanDerWaalsContact O-N 3.14Å; Q246-Q249 PolarHBondContact O-N 3.04Å; Q247-Q249 VanDerWaalsContact C-N 3.31Å; Q247-Q249 PolarHBondContact O-N 3.37Å; Q249-R252 WeakPolarHBondContact O-CB 3.31Å; Q249-R252 PolarHBondContact O-N 3.35Å; Q249-Q253 PolarHBondContact O-N 3.02Å |
| 250 | Q | 80.9 | Confident | 75.8 | Confident | 121 Ų | 121 | 119.3 Ų | 119.3 | 57% | 0.565 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.9 | -40.9 | 176.6 | -156.7 | -174.1 | 95.4 | 0 | 0 | 111.5 | Q246 Q247 R252 Q253 Q254 | Q246-Q250 PolarHBondContact O-N 2.97Å; Q246-Q250 VanDerWaalsContact O-N 3.14Å; Q247-Q250 PolarHBondContact O-N 3.47Å; Q250-R252 VanDerWaalsContact C-N 3.32Å; Q250-R252 PolarHBondContact O-N 3.23Å; Q250-Q253 PolarHBondContact O-N 3.35Å; Q250-Q254 PolarHBondContact O-N 3.03Å; Q250-Q254 VanDerWaalsContact O-N 3.12Å |
| 251 | Q | 79.9 | Confident | 74.6 | Confident | 136 Ų | 136 | 119.2 Ų | 119.2 | 64% | 0.636 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.8 | -38.2 | 175.1 | -159.8 | -178.5 | 45 | 0 | 0 | 111.8 | Q247 L248 Q253 Q254 Q255 | Q247-Q251 PolarHBondContact O-N 3.48Å; Q247-Q251 VanDerWaalsContact O-N 3.07Å; L248-Q251 PolarHBondContact O-N 3.4Å; Q251-Q253 PolarHBondContact O-N 3.25Å; Q251-Q254 PolarHBondContact O-N 3.22Å; Q251-Q255 PolarHBondContact O-N 2.86Å |
| 252 | R | 79.6 | Confident | 73 | Confident | 152 Ų | 152 | 119.3 Ų | 119.3 | 57% | 0.574 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.9 | -37.1 | 173.5 | -108.3 | -100.7 | -60.4 | -72.9 | -5.5 | 112.9 | L248 Q249 Q250 N256 | L248-R252 PolarHBondContact O-N 3.33Å; Q249-R252 WeakPolarHBondContact O-CB 3.31Å; Q249-R252 PolarHBondContact O-N 3.35Å; Q250-R252 VanDerWaalsContact C-N 3.32Å; Q250-R252 PolarHBondContact O-N 3.23Å; R252-N256 PolarHBondContact O-N 3.45Å; R252-N256 PolarHBondContact O-ND2 3.49Å |
| 253 | Q | 73.9 | Confident | 71 | Confident | 142 Ų | 142 | 120.3 Ų | 120.3 | 66% | 0.664 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.2 | -42.9 | 173.9 | -85.1 | -170.1 | -4.4 | 0 | 0 | 111.7 | Q249 Q250 Q251 Q255 N256 F257 | Q249-Q253 PolarHBondContact O-N 3.02Å; Q250-Q253 PolarHBondContact O-N 3.35Å; Q251-Q253 PolarHBondContact O-N 3.25Å; Q253-Q255 VanDerWaalsContact C-N 3.34Å; Q253-Q255 PolarHBondContact O-N 3.4Å; Q253-N256 PolarHBondContact O-N 3.11Å; Q253-F257 WeakPolarHBondContact O-CB 3.2Å; Q253-F257 PolarHBondContact O-N 3.44Å |
| 254 | Q | 68.7 | Low | 69.4 | Low | 120 Ų | 120 | 121 Ų | 121 | 56% | 0.561 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.5 | -42.2 | 175.8 | -69 | -166.5 | 59.4 | 0 | 0 | 111.8 | Q250 Q251 N256 F257 I258 | Q250-Q254 PolarHBondContact O-N 3.03Å; Q250-Q254 VanDerWaalsContact O-N 3.12Å; Q251-Q254 PolarHBondContact O-N 3.22Å; Q254-N256 PolarHBondContact O-N 3.4Å; Q254-F257 WeakPolarHBondContact O-CB 3.45Å; Q254-F257 PolarHBondContact O-N 3.37Å; Q254-I258 WeakPolarHBondContact O-CD1 3.49Å; Q254-I258 VanDerWaalsContact O-CG1 3.27Å; Q254-I258 WeakPolarHBondContact O-CG1 3.45Å; Q254-I258 PolarHBondContact O-N 3.46Å |
| 255 | Q | 65.8 | Low | 67.5 | Low | 128 Ų | 128 | 123.3 Ų | 123.3 | 60% | 0.598 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.7 | -36.4 | 177.6 | -160.5 | 176.4 | 74.2 | 0 | 0 | 112.4 | Q251 Q253 I258 Q259 | Q251-Q255 PolarHBondContact O-N 2.86Å; Q253-Q255 VanDerWaalsContact C-N 3.34Å; Q253-Q255 PolarHBondContact O-N 3.4Å; Q255-I258 PolarHBondContact O-N 3.07Å; Q255-Q259 WeakPolarHBondContact O-CG 3.29Å; Q255-Q259 PolarHBondContact O-N 3.37Å |
| 256 | N | 64 | Low | 65.4 | Low | 98 Ų | 98 | 122.3 Ų | 122.3 | 52% | 0.524 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -67.8 | -34.8 | 172.7 | -83.8 | -77.7 | 0 | 0 | 0 | 112.4 | R252 Q253 Q254 Q259 S260 | R252-N256 PolarHBondContact O-N 3.45Å; R252-N256 PolarHBondContact O-ND2 3.49Å; Q253-N256 PolarHBondContact O-N 3.11Å; Q254-N256 PolarHBondContact O-N 3.4Å; N256-Q259 PolarHBondContact O-N 2.96Å; N256-S260 WeakPolarHBondContact O-CB 3.26Å; N256-S260 PolarHBondContact O-N 3.32Å; N256-S260 PolarHBondContact O-OG 2.78Å |
| 257 | F | 60.2 | Low | 62.8 | Low | 139 Ų | 139 | 127.5 Ų | 127.5 | 61% | 0.61 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.7 | -38.8 | 173.9 | -176.1 | -99.1 | 0 | 0 | 0 | 112.1 | Q253 Q254 S260 T261 | Q253-F257 WeakPolarHBondContact O-CB 3.2Å; Q253-F257 PolarHBondContact O-N 3.44Å; Q254-F257 WeakPolarHBondContact O-CB 3.45Å; Q254-F257 PolarHBondContact O-N 3.37Å; F257-S260 PolarHBondContact O-N 3.04Å; F257-S260 PolarHBondContact O-OG 2.84Å; F257-T261 HydrophobicContact CD1-CG2 4.45Å; F257-T261 HydrophobicContact CD2-CG2 4.39Å; F257-T261 HydrophobicContact CE1-CG2 4.12Å; F257-T261 HydrophobicContact CE2-CG2 4.06Å; F257-T261 HydrophobicContact CZ-CG2 3.92Å; F257-T261 WeakPolarHBondContact O-CB 3.09Å; F257-T261 VanDerWaalsContact O-CG2 3.3Å; F257-T261 WeakPolarHBondContact O-CG2 3.04Å; F257-T261 PolarHBondContact O-N 3.42Å; F257-T261 PolarHBondContact O-OG1 3.12Å |
| 258 | I | 59.2 | Low | 60.8 | Low | 96 Ų | 96 | 125.3 Ų | 125.3 | 49% | 0.492 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -68.2 | -36.9 | 176.4 | -65.7 | 161.6 | 0 | 0 | 0 | 111.1 | Q254 Q255 T261 | Q254-I258 WeakPolarHBondContact O-CD1 3.49Å; Q254-I258 VanDerWaalsContact O-CG1 3.27Å; Q254-I258 WeakPolarHBondContact O-CG1 3.45Å; Q254-I258 PolarHBondContact O-N 3.46Å; Q255-I258 PolarHBondContact O-N 3.07Å; I258-T261 PolarHBondContact O-OG1 3.34Å |
| 259 | Q | 57.4 | Low | 58.3 | Low | 159 Ų | 159 | 127.2 Ų | 127.2 | 74% | 0.743 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -74.5 | -33.7 | 177.1 | -69 | -116.3 | 63.6 | 0 | 0 | 113.1 | Q255 N256 | Q255-Q259 WeakPolarHBondContact O-CG 3.29Å; Q255-Q259 PolarHBondContact O-N 3.37Å; N256-Q259 PolarHBondContact O-N 2.96Å |
| 260 | S | 50.6 | Low | 55.8 | Low | 95 Ų | 95 | 130.4 Ų | 130.4 | 66% | 0.664 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -79.3 | -21.6 | -179.2 | 67.7 | 0 | 0 | 0 | 0 | 113.8 | N256 F257 | N256-S260 WeakPolarHBondContact O-CB 3.26Å; N256-S260 PolarHBondContact O-N 3.32Å; N256-S260 PolarHBondContact O-OG 2.78Å; F257-S260 PolarHBondContact O-N 3.04Å; F257-S260 PolarHBondContact O-OG 2.84Å |
| 261 | T | 51.6 | Low | 53.7 | Low | 60 Ų | 60 | 130.1 Ų | 130.1 | 37% | 0.368 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -87.8 | -9.7 | -178.7 | 50 | 0 | 0 | 0 | 0 | 114.3 | F257 I258 L263 | F257-T261 HydrophobicContact CD1-CG2 4.45Å; F257-T261 HydrophobicContact CD2-CG2 4.39Å; F257-T261 HydrophobicContact CE1-CG2 4.12Å; F257-T261 HydrophobicContact CE2-CG2 4.06Å; F257-T261 HydrophobicContact CZ-CG2 3.92Å; F257-T261 WeakPolarHBondContact O-CB 3.09Å; F257-T261 VanDerWaalsContact O-CG2 3.3Å; F257-T261 WeakPolarHBondContact O-CG2 3.04Å; F257-T261 PolarHBondContact O-N 3.42Å; F257-T261 PolarHBondContact O-OG1 3.12Å; I258-T261 PolarHBondContact O-OG1 3.34Å; T261-L263 PolarHBondContact O-N 3.31Å |
| 262 | G | 52.3 | Low | 51.4 | Low | 66 Ų | 66 | 128.6 Ų | 128.6 | 68% | 0.68 | 68% | 0.676 | S | S | * | * | trans | 52.5 | 22.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 263 | L | 48.9 | Very low | 49 | Very low | 136 Ų | 136 | 131 Ų | 131 | 71% | 0.712 | 69% | 0.693 | S | S | * | * | trans | -106.2 | 40.8 | -167.3 | -123.1 | 164.2 | 0 | 0 | 0 | 111.4 | T261 | T261-L263 PolarHBondContact O-N 3.31Š| ||
| 264 | V | 49.8 | Very low | 46.9 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 66% | 0.661 | 70% | 0.7 | S | S | * | * | trans | -99.7 | 115.7 | 162.2 | -104.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 265 | H | 47.9 | Very low | 45 | Very low | 184 Ų | 184 | 126 Ų | 126 | 85% | 0.852 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 95.3 | 68.9 | -178.1 | -58 | -78.7 | 0 | 0 | 0 | 117.4 | ||
| 266 | V | 43 | Very low | 43.2 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 72% | 0.715 | 73% | 0.727 | S | S | * | * | trans | -151.8 | 96.2 | 130.1 | 173.4 | 0 | 0 | 0 | 0 | 108.3 | P268 | V266-P268 HydrophobicContact CG1-CG 4.5Š| ||
| 267 | W | 32.2 | Very low | 41.5 | Very low | 243 Ų | 243 | 123 Ų | 123 | 92% | 0.92 | 74% | 0.739 | S | S | * | * | trans | -131.6 | 105.6 | 150.3 | -114.6 | 119.6 | 0 | 0 | 0 | 105.4 | L269 | W267-L269 PolarHBondContact O-N 3.4Š| ||
| 268 | P | 40.1 | Very low | 40.1 | Very low | 93 Ų | 93 | 120.8 Ų | 120.8 | 60% | 0.604 | 75% | 0.746 | S | S | * | * | trans | -76.2 | 111.7 | 167.3 | 9.3 | 6.5 | 0 | 0 | 0 | 106.9 | V266 Q270 | V266-P268 HydrophobicContact CG1-CG 4.5Å; P268-Q270 PolarHBondContact O-N 2.88Å; P268-Q270 VanDerWaalsContact O-N 3.09Å | ||
| 269 | L | 34.7 | Very low | 38.8 | Very low | 152 Ų | 152 | 124.4 Ų | 124.4 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | trans | -58.2 | 108.3 | 163.2 | -173 | 69.9 | 0 | 0 | 0 | 107.6 | W267 T271 | W267-L269 PolarHBondContact O-N 3.4Å; L269-T271 HydrophobicContact CD2-CG2 4.12Å; L269-T271 HydrophobicContact CG-CG2 4.22Å; L269-T271 PolarHBondContact O-N 3.45Å | ||
| 270 | Q | 31.9 | Very low | 37.6 | Very low | 192 Ų | 192 | 122.5 Ų | 122.5 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | -77.6 | 91.8 | 176.3 | -152.4 | 147.5 | 64.8 | 0 | 0 | 107.5 | P268 | P268-Q270 PolarHBondContact O-N 2.88Å; P268-Q270 VanDerWaalsContact O-N 3.09Å | ||
| 271 | T | 35 | Very low | 36.7 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 124.4 | 173.9 | 44.8 | 0 | 0 | 0 | 0 | 109.5 | L269 | L269-T271 HydrophobicContact CD2-CG2 4.12Å; L269-T271 HydrophobicContact CG-CG2 4.22Å; L269-T271 PolarHBondContact O-N 3.45Å |
| 272 | A | 32.8 | Very low | 35.6 | Very low | 103 Ų | 103 | 124 Ų | 124 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 135.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 273 | Q | 30 | Very low | 34.7 | Very low | 202 Ų | 202 | 131.6 Ų | 131.6 | 94% | 0.944 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 127.4 | -179.5 | -174.4 | 174.1 | -3.4 | 0 | 0 | 112 | ||
| 274 | G | 28.6 | Very low | 34.1 | Very low | 77 Ų | 77 | 133 Ų | 133 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -153.4 | 90.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 275 | G | 29.2 | Very low | 33.2 | Very low | 82 Ų | 82 | 135.7 Ų | 135.7 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | 73.9 | 111.7 | 145.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 276 | G | 28.7 | Very low | 32.2 | Very low | 87 Ų | 87 | 132.8 Ų | 132.8 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | 117.2 | 108.6 | 128.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 277 | G | 28.1 | Very low | 31.9 | Very low | 75 Ų | 75 | 134.8 Ų | 134.8 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | 105.8 | 109.2 | 133.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 278 | A | 31.1 | Very low | 32.1 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | 62.1 | 136.1 | 145 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 279 | E | 31.8 | Very low | 32 | Very low | 173 Ų | 173 | 132.9 Ų | 132.9 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | cis | 179.4 | 156 | 14.2 | 45.1 | -162.3 | 111.6 | 0 | 0 | 107.1 | ||||
| 280 | S | 31.8 | Very low | 31.9 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | 71.9 | 136.2 | 157.5 | -129.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 281 | S | 31.1 | Very low | 32.1 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | cis | -169 | 130.9 | 0.6 | 158.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 282 | A | 29.1 | Very low | 31.9 | Very low | 84 Ų | 84 | 131.1 Ų | 131.1 | 69% | 0.694 | 80% | 0.802 | S | S | * | * | trans | 26.4 | 124.6 | 145.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 283 | Y | 33.8 | Very low | 31.9 | Very low | 225 Ų | 225 | 133.2 Ų | 133.2 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | -167.5 | 146.2 | 109.3 | 57.5 | -92.3 | 0 | 0 | 0 | 113.3 | |||||
| 284 | M | 34.8 | Very low | 32.5 | Very low | 166 Ų | 166 | 128.9 Ų | 128.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -35.5 | 139.7 | -179.1 | -61.9 | -131.2 | -176 | 0 | 0 | 118 | ||||
| 285 | E | 30.7 | Very low | 32.6 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | 90.4 | 112.5 | 61.7 | -163.2 | 163.3 | -178.8 | 0 | 0 | 113.9 | |||||
| 286 | D | 28.7 | Very low | 32.8 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 66% | 0.658 | 78% | 0.784 | S | S | * | * | trans | 66.7 | 152 | 140 | -147 | 22 | 0 | 0 | 0 | 123.9 | ||||
| 287 | H | 34.8 | Very low | 32.9 | Very low | 160 Ų | 160 | 141 Ų | 141 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | 120.4 | 94.3 | 159.6 | -73.5 | -72.9 | 0 | 0 | 0 | 119.6 | ||||
| 288 | V | 36.9 | Very low | 33.1 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | 34.6 | 123.5 | 112.4 | -178.3 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 289 | E | 38.4 | Very low | 33.5 | Very low | 183 Ų | 183 | 145.6 Ų | 145.6 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | 19.7 | 129.9 | 143.8 | -50.6 | -174.6 | 161.6 | 0 | 0 | 120.8 | ||||
| 290 | D | 32.3 | Very low | 34 | Very low | 160 Ų | 160 | 143 Ų | 143 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | -171.8 | 153.2 | 126.9 | -160.3 | 17.8 | 0 | 0 | 0 | 112.7 | |||||
| 291 | E | 35.8 | Very low | 34.7 | Very low | 185 Ų | 185 | 145.5 Ų | 145.5 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -60.2 | 160.3 | -179.2 | -72.5 | -117 | 144.1 | 0 | 0 | 116.9 | ||||
| 292 | G | 30.5 | Very low | 34.8 | Very low | 77 Ų | 77 | 148.6 Ų | 148.6 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | 135.3 | 93.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 293 | N | 33.6 | Very low | 35.3 | Very low | 147 Ų | 147 | 151.6 Ų | 151.6 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -88.3 | 148.3 | 164.2 | -171.2 | 25.4 | 0 | 0 | 0 | 110 | R295 | N293-R295 PolarHBondContact OD1-N 3.47Å; N293-R295 VanDerWaalsContact OD1-N 3.15Å | ||
| 294 | P | 42.3 | Very low | 35.5 | Very low | 111 Ų | 111 | 150.7 Ų | 150.7 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | -148.7 | 140.5 | 98.9 | 34.4 | -15.9 | 0 | 0 | 0 | 116.6 | |||||
| 295 | R | 31 | Very low | 35.7 | Very low | 215 Ų | 215 | 152.3 Ų | 152.3 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | 52.6 | 137.7 | 141.7 | -83.6 | -175.1 | 163.2 | -173.8 | -1.9 | 118.4 | N293 | N293-R295 PolarHBondContact OD1-N 3.47Å; N293-R295 VanDerWaalsContact OD1-N 3.15Å | ||
| 296 | L | 33 | Very low | 36 | Very low | 143 Ų | 143 | 150.5 Ų | 150.5 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | cis | -175.2 | 135.1 | 34.8 | -117.1 | 147.7 | 0 | 0 | 0 | 104 | ||||
| 297 | E | 30.5 | Very low | 36.3 | Very low | 144 Ų | 144 | 149.8 Ų | 149.8 | 67% | 0.673 | 80% | 0.796 | S | S | * | * | -173.3 | 138.9 | 91.8 | -115.8 | -159.8 | 154.9 | 0 | 0 | 111.5 | |||||
| 298 | K | 33.9 | Very low | 37.1 | Very low | 170 Ų | 170 | 147.5 Ų | 147.5 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | trans | 74.1 | 87.6 | 150.3 | -67.4 | 171.6 | -178.6 | 140.8 | 0 | 119.5 | ||||
| 299 | A | 39.6 | Very low | 37.1 | Very low | 92 Ų | 92 | 149.8 Ų | 149.8 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -114.4 | 165.1 | 137.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 300 | P | 42 | Very low | 37.2 | Very low | 119 Ų | 119 | 147.8 Ų | 147.8 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | -146.6 | 136 | 89.1 | 32.4 | -13.1 | 0 | 0 | 0 | 115.2 | |||||
| 301 | L | 45.7 | Very low | 37.9 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | trans | -69.9 | 137.7 | 146.6 | -63.5 | 172.8 | 0 | 0 | 0 | 108.4 | ||||
| 302 | L | 34.4 | Very low | 38.2 | Very low | 167 Ų | 167 | 146 Ų | 146 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -145.1 | 126 | 161 | -104.7 | 171.3 | 0 | 0 | 0 | 111.3 | ||||
| 303 | N | 38.3 | Very low | 39 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -87.3 | 157.2 | 173.4 | -96.7 | -0.2 | 0 | 0 | 0 | 111.6 | ||||
| 304 | K | 37.8 | Very low | 39.1 | Very low | 205 Ų | 205 | 145 Ų | 145 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | trans | 90.5 | 127.7 | 150.2 | -80 | 177.6 | 173.2 | -178.6 | 0 | 121.3 | ||||
| 305 | K | 40.7 | Very low | 39.1 | Very low | 200 Ų | 200 | 146.2 Ų | 146.2 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | trans | -51.7 | 160.6 | 169.8 | -88.4 | 176.3 | 167 | 169.2 | 0 | 115.4 | ||||
| 306 | P | 35.5 | Very low | 39.7 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | -138.9 | 157.4 | 98.1 | 33 | -15.8 | 0 | 0 | 0 | 115.4 | |||||
| 307 | S | 35.6 | Very low | 40.1 | Very low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -79.5 | 171.9 | 163.7 | -167.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 308 | P | 51.5 | Low | 40.7 | Very low | 112 Ų | 112 | 147.2 Ų | 147.2 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | cis | -146 | -152.9 | 26.6 | 40.4 | -14.7 | 0 | 0 | 0 | 114.6 | ||||
| 309 | E | 36.9 | Very low | 40.9 | Very low | 161 Ų | 161 | 147 Ų | 147 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | 92.1 | 136.8 | -177.9 | -61.7 | -155.1 | 138.9 | 0 | 0 | 114.5 | ||||
| 310 | E | 40.9 | Very low | 40.8 | Very low | 141 Ų | 141 | 147.6 Ų | 147.6 | 66% | 0.659 | 80% | 0.8 | S | S | * | * | cis | -175.6 | 130.4 | -38.5 | 47 | -154.5 | 52.9 | 0 | 0 | 103.9 | ||||
| 311 | D | 47.1 | Very low | 40.4 | Very low | 170 Ų | 170 | 149.9 Ų | 149.9 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -158.1 | 122.2 | 150.1 | -108.1 | -31.2 | 0 | 0 | 0 | 109.4 | ||||
| 312 | D | 41.1 | Very low | 40 | Very low | 137 Ų | 137 | 147 Ų | 147 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | -72.9 | 131.1 | -173.1 | -76.9 | -58.8 | 0 | 0 | 0 | 112.4 | ||||
| 313 | A | 48 | Very low | 40.1 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -136.1 | 81.3 | 142.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | C315 | A313-C315 PolarHBondContact O-N 3.35Š| ||
| 314 | V | 36.5 | Very low | 40 | Very low | 100 Ų | 100 | 148.7 Ų | 148.7 | 61% | 0.606 | 80% | 0.797 | S | S | * | * | trans | -50.1 | 119.6 | 159.4 | 167.6 | 0 | 0 | 0 | 0 | 110.3 | R316 | V314-R316 HydrophobicContact CG1-CG 3.67Š| ||
| 315 | C | 40.8 | Very low | 40 | Very low | 136 Ų | 136 | 148 Ų | 148 | 92% | 0.919 | 80% | 0.798 | S | S | * | * | trans | -122.1 | 109.6 | 144.4 | -84 | 0 | 0 | 0 | 0 | 107.6 | A313 | A313-C315 PolarHBondContact O-N 3.35Š| ||
| 316 | R | 44.4 | Very low | 39.8 | Very low | 214 Ų | 214 | 146.9 Ų | 146.9 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | -60.8 | 150.4 | -170.6 | -70.8 | -173 | -178.7 | 168.1 | -0.6 | 115.9 | V314 | V314-R316 HydrophobicContact CG1-CG 3.67Š| ||
| 317 | D | 40.1 | Very low | 39.7 | Very low | 140 Ų | 140 | 147.6 Ų | 147.6 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | trans | 9.7 | 122 | 131.3 | -58.5 | -33.4 | 0 | 0 | 0 | 118.5 | ||||
| 318 | L | 44.6 | Very low | 39.5 | Very low | 168 Ų | 168 | 149.6 Ų | 149.6 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | -146.1 | 91.1 | 124 | -68 | -178.4 | 0 | 0 | 0 | 105.7 | |||||
| 319 | E | 36.8 | Very low | 38.9 | Very low | 166 Ų | 166 | 152.7 Ų | 152.7 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | 58.1 | 94 | 90.4 | -152.1 | 160.7 | -146.1 | 0 | 0 | 113.2 | |||||
| 320 | S | 38.2 | Very low | 38.6 | Very low | 105 Ų | 105 | 149.7 Ų | 149.7 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | 27.4 | 107.2 | 129.5 | -51.2 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 321 | L | 34.4 | Very low | 38.8 | Very low | 166 Ų | 166 | 147.6 Ų | 147.6 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -137.2 | 88.1 | 140.7 | -70.6 | 179.4 | 0 | 0 | 0 | 109.1 | P323 | L321-P323 WeakPolarHBondContact O-CD 3.24Š| ||
| 322 | S | 37.5 | Very low | 38.5 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -80.6 | 125.5 | 148.9 | -169.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 323 | P | 35.3 | Very low | 38.7 | Very low | 118 Ų | 118 | 146.5 Ų | 146.5 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -98.8 | 101 | 150.2 | -10.8 | 29 | 0 | 0 | 0 | 108 | L321 | L321-P323 WeakPolarHBondContact O-CD 3.24Š| ||
| 324 | R | 35.5 | Very low | 38.7 | Very low | 232 Ų | 232 | 153.3 Ų | 153.3 | 88% | 0.875 | 81% | 0.809 | S | S | * | * | trans | -97 | 97.8 | 152.1 | -179.1 | 179.4 | 174.1 | 176.1 | -1.9 | 105.6 | ||||
| 325 | E | 39 | Very low | 39.1 | Very low | 192 Ų | 192 | 157.8 Ų | 157.8 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | trans | -129.1 | 149.4 | 157.9 | -76.9 | -170.6 | 140.3 | 0 | 0 | 108.9 | ||||
| 326 | E | 35.7 | Very low | 39.1 | Very low | 176 Ų | 176 | 156.8 Ų | 156.8 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -103.8 | 150.4 | -152.2 | -158.6 | 179.9 | 169.8 | 0 | 0 | 110.5 | ||||
| 327 | L | 34.6 | Very low | 39.5 | Very low | 143 Ų | 143 | 151.8 Ų | 151.8 | 75% | 0.749 | 81% | 0.807 | S | S | * | * | trans | 75.6 | 134.8 | 149.6 | -137.3 | 75.6 | 0 | 0 | 0 | 121.5 | ||||
| 328 | E | 30.1 | Very low | 40.2 | Very low | 150 Ų | 150 | 151.6 Ų | 151.6 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | 95.8 | 104 | 153.7 | -56.7 | -154.5 | 147.7 | 0 | 0 | 121.6 | ||||
| 329 | H | 39 | Very low | 40.5 | Very low | 177 Ų | 177 | 150.2 Ų | 150.2 | 82% | 0.819 | 81% | 0.805 | S | S | * | * | trans | 41.8 | 103.4 | 132.7 | -55.9 | -72.7 | 0 | 0 | 0 | 120.3 | ||||
| 330 | A | 31.6 | Very low | 41.2 | Very low | 97 Ų | 97 | 148.1 Ų | 148.1 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -159.9 | 122.9 | 136.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L332 | A330-L332 PolarHBondContact O-N 3.48Š| ||
| 331 | A | 44.8 | Very low | 41.5 | Very low | 98 Ų | 98 | 149 Ų | 149 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -62.4 | 122.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 332 | L | 40.1 | Very low | 42.4 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -141.1 | 97.8 | 159.8 | -76.7 | 175.1 | 0 | 0 | 0 | 109.9 | A330 R334 | A330-L332 PolarHBondContact O-N 3.48Å; L332-R334 PolarHBondContact O-N 2.99Å | ||
| 333 | S | 45.5 | Very low | 42.8 | Very low | 119 Ų | 119 | 144 Ų | 144 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -41 | 122.5 | 167.6 | -50.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 334 | R | 48.5 | Very low | 43.3 | Very low | 247 Ų | 247 | 145.5 Ų | 145.5 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | trans | -107 | 116.5 | 159.5 | -72.2 | -177.7 | 85 | -164.3 | 5.1 | 108.9 | L332 | L332-R334 PolarHBondContact O-N 2.99Š| ||
| 335 | K | 44.6 | Very low | 43.9 | Very low | 194 Ų | 194 | 143.2 Ų | 143.2 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -58.7 | 138.1 | -169.2 | -106.8 | 133.4 | 73.7 | -175.2 | 0 | 112.6 | ||||
| 336 | V | 41.2 | Very low | 44.7 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | trans | -45.8 | 132.3 | 152 | -67 | 0 | 0 | 0 | 0 | 110 | ||||
| 337 | S | 51.9 | Low | 45.2 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -87.8 | 102.3 | 166.9 | 59.6 | 0 | 0 | 0 | 0 | 107.9 | V339 | S337-V339 PolarHBondContact O-N 3.45Š| ||
| 338 | D | 54.6 | Low | 46.3 | Very low | 136 Ų | 136 | 141 Ų | 141 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -66.7 | 115.4 | 167.6 | -63.2 | -49.2 | 0 | 0 | 0 | 108.7 | ||||
| 339 | V | 51.8 | Low | 47.5 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | trans | -83.5 | 114.2 | 166 | -176.6 | 0 | 0 | 0 | 0 | 106.8 | S337 S341 | S337-V339 PolarHBondContact O-N 3.45Å; V339-S341 PolarHBondContact O-N 3.23Å | ||
| 340 | T | 50.7 | Low | 48.5 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | -66.8 | 123 | -174.6 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | S342 | T340-S342 PolarHBondContact O-N 3.23Š| ||
| 341 | S | 45.8 | Very low | 49.6 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -58.9 | 110.8 | 164.5 | -173.7 | 0 | 0 | 0 | 0 | 109.4 | V339 G343 | V339-S341 PolarHBondContact O-N 3.23Å; S341-G343 PolarHBondContact O-N 3.25Å | ||
| 342 | S | 53.6 | Low | 49.8 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | trans | -75.7 | 114.4 | 169.4 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | T340 | T340-S342 PolarHBondContact O-N 3.23Š| ||
| 343 | G | 45.3 | Very low | 50.5 | Low | 66 Ų | 66 | 147.8 Ų | 147.8 | 68% | 0.68 | 82% | 0.819 | S | S | * | * | trans | -73.5 | 127.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S341 | S341-G343 PolarHBondContact O-N 3.25Š| ||
| 344 | V | 45.4 | Very low | 50.8 | Low | 148 Ų | 148 | 148.3 Ų | 148.3 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | trans | -83.2 | 117 | 169.8 | -165.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 345 | Q | 48.7 | Very low | 50.6 | Low | 184 Ų | 184 | 144.3 Ų | 144.3 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -85.3 | 112.6 | -179.5 | -161.9 | 169.6 | -2.2 | 0 | 0 | 107.8 | F347 | Q345-F347 PolarHBondContact O-N 3.49Š| ||
| 346 | S | 54.4 | Low | 50.9 | Low | 119 Ų | 119 | 146.3 Ų | 146.3 | 83% | 0.832 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 119.1 | 172 | 39.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 347 | F | 47.1 | Very low | 51.4 | Low | 198 Ų | 198 | 148 Ų | 148 | 87% | 0.868 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -87 | 127 | 171.4 | -158.6 | -98.6 | 0 | 0 | 0 | 108.2 | Q345 | Q345-F347 PolarHBondContact O-N 3.49Š|
| 348 | D | 57.6 | Low | 51.4 | Low | 148 Ų | 148 | 149.9 Ų | 149.9 | 79% | 0.791 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 123.3 | 178.8 | -144.7 | -120.2 | 0 | 0 | 0 | 107.7 | E350 | D348-E350 PolarHBondContact O-N 3.47Š|
| 349 | E | 55.8 | Low | 51.2 | Low | 186 Ų | 186 | 150.7 Ų | 150.7 | 87% | 0.869 | 85% | 0.852 | S | S | * | * | trans | -80.3 | 106.2 | 176 | -72.4 | -177.8 | 156.1 | 0 | 0 | 109.4 | ||||
| 350 | E | 59.9 | Low | 51.2 | Low | 189 Ų | 189 | 151.4 Ų | 151.4 | 88% | 0.883 | 85% | 0.853 | S | S | * | * | trans | -81.2 | 110.1 | 168.2 | -174.5 | 174.8 | -175.1 | 0 | 0 | 108.8 | D348 G352 | D348-E350 PolarHBondContact O-N 3.47Å; E350-G352 PolarHBondContact O-N 3.02Å | ||
| 351 | E | 54.4 | Low | 51.2 | Low | 192 Ų | 192 | 153.3 Ų | 153.3 | 90% | 0.897 | 86% | 0.86 | S | S | * | * | trans | -64.4 | 112.1 | 174.5 | -82.3 | -172 | 152.6 | 0 | 0 | 110.9 | ||||
| 352 | G | 48 | Very low | 51.6 | Low | 72 Ų | 72 | 155.3 Ų | 155.3 | 74% | 0.742 | 86% | 0.86 | S | S | * | * | trans | -86.9 | 123.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E350 | E350-G352 PolarHBondContact O-N 3.02Š| ||
| 353 | E | 55.5 | Low | 51.4 | Low | 190 Ų | 190 | 158.7 Ų | 158.7 | 89% | 0.888 | 87% | 0.868 | S | S | * | * | trans | -59 | 137.6 | 176.2 | -62.9 | 151.2 | 156.9 | 0 | 0 | 113 | ||||
| 354 | T | 51.1 | Low | 51.9 | Low | 130 Ų | 130 | 165.8 Ų | 165.8 | 80% | 0.798 | 88% | 0.882 | S | S | * | * | trans | -129.4 | 103.7 | 161.9 | 59.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 355 | N | 45.8 | Very low | 52.4 | Low | 163 Ų | 163 | 167.3 Ų | 167.3 | 87% | 0.872 | 88% | 0.881 | S | S | * | * | trans | 35 | 119.7 | 133.3 | -60.8 | -24.4 | 0 | 0 | 0 | 119.4 | ||||
| 356 | N | 50.8 | Low | 52.8 | Low | 237 Ų | 237 | 165.8 Ų | 165.8 | 100% | 1.267 | 88% | 0.883 | S | S | * | * | trans | -103.6 | 0 | 156.7 | -161.3 | -23.3 | 0 | 0 | 0 | 109 |
Retrieved 356 of 356 residues in 361.2 ms
(Link to these results)