| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.8 | Very low | 37.4 | Very low | 244 Ų | 244 | 168.3 Ų | 168.3 | 100% | 1.202 | 85% | 0.852 | S | S | * | * | 0 | 118.5 | 0 | -59.3 | -59.8 | -87 | 0 | 0 | 107.9 | |||||
| 2 | G | 35.1 | Very low | 36.8 | Very low | 73 Ų | 73 | 171.8 Ų | 171.8 | 75% | 0.753 | 85% | 0.848 | S | S | * | * | trans | -106.9 | -151 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 3 | P | 55.4 | Low | 36.5 | Very low | 116 Ų | 116 | 169.4 Ų | 169.4 | 75% | 0.753 | 85% | 0.848 | S | S | * | * | cis | -133.4 | 162.4 | -16.8 | 39.9 | -25.7 | 0 | 0 | 0 | 113.4 | ||||
| 4 | L | 36.5 | Very low | 36.2 | Very low | 170 Ų | 170 | 167.7 Ų | 167.7 | 89% | 0.89 | 84% | 0.836 | S | S | * | * | trans | -158.5 | 97.7 | 159.7 | -129.9 | 76.3 | 0 | 0 | 0 | 108.3 | ||||
| 5 | R | 44.5 | Very low | 35.9 | Very low | 228 Ų | 228 | 167.9 Ų | 167.9 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | 69.2 | 96.7 | 92.2 | -69 | -71.1 | -172.7 | -154 | -0.6 | 114.3 | |||||
| 6 | E | 36.1 | Very low | 35.6 | Very low | 195 Ų | 195 | 168.6 Ų | 168.6 | 91% | 0.911 | 83% | 0.832 | S | S | * | * | trans | -64.4 | 157.6 | 159.5 | -57.3 | 163 | 121.9 | 0 | 0 | 111 | ||||
| 7 | S | 37.9 | Very low | 35.2 | Very low | 121 Ų | 121 | 166.7 Ų | 166.7 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -144.9 | 104.8 | 160.5 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 8 | K | 34.5 | Very low | 35.3 | Very low | 181 Ų | 181 | 168.6 Ų | 168.6 | 79% | 0.787 | 83% | 0.829 | S | S | * | * | trans | -84.3 | 133.9 | 173.2 | -175.9 | -174.5 | -178.5 | -171.5 | 0 | 109 | ||||
| 9 | K | 35.5 | Very low | 35.1 | Very low | 190 Ų | 190 | 169.2 Ų | 169.2 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | trans | -144.8 | 118.5 | 165.4 | -78.8 | -162.8 | 172.8 | -175.3 | 0 | 111.3 | ||||
| 10 | E | 30.8 | Very low | 35.2 | Very low | 152 Ų | 152 | 168.7 Ų | 168.7 | 71% | 0.71 | 83% | 0.829 | S | S | * | * | trans | -66.8 | 151.2 | 165.5 | -60.3 | 99.8 | 160.5 | 0 | 0 | 111.3 | ||||
| 11 | H | 31.5 | Very low | 35.3 | Very low | 181 Ų | 181 | 166.1 Ų | 166.1 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | trans | -110.3 | 93.1 | 162 | -103.3 | -99.8 | 0 | 0 | 0 | 109.9 | V13 | H11-V13 PolarHBondContact O-N 3Å; H11-V13 VanDerWaalsContact O-N 3.08Å | ||
| 12 | R | 30.3 | Very low | 35.6 | Very low | 211 Ų | 211 | 165.4 Ų | 165.4 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | trans | -58 | 104.3 | 172.6 | -179 | -175.4 | -171.5 | 175.8 | 3.6 | 110.1 | Q14 | R12-Q14 PolarHBondContact O-N 2.81Š| ||
| 13 | V | 33 | Very low | 36 | Very low | 140 Ų | 140 | 167.9 Ų | 167.9 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | trans | -75.4 | 107.1 | 167.5 | 178.5 | 0 | 0 | 0 | 0 | 107.6 | H11 | H11-V13 PolarHBondContact O-N 3Å; H11-V13 VanDerWaalsContact O-N 3.08Å | ||
| 14 | Q | 31.3 | Very low | 35.7 | Very low | 146 Ų | 146 | 173.3 Ų | 173.3 | 68% | 0.682 | 82% | 0.823 | S | S | * | * | trans | -88.5 | 128.3 | 179.8 | -167.1 | 163.4 | 2.7 | 0 | 0 | 109.3 | R12 H16 | R12-Q14 PolarHBondContact O-N 2.81Å; Q14-H16 PolarHBondContact O-N 3.43Å | ||
| 15 | H | 31.6 | Very low | 36.6 | Very low | 170 Ų | 170 | 172.4 Ų | 172.4 | 79% | 0.787 | 82% | 0.818 | S | S | * | * | trans | -55.5 | 138.7 | 170.6 | -97.7 | -130.8 | 0 | 0 | 0 | 110.2 | ||||
| 16 | H | 31.6 | Very low | 36.9 | Very low | 179 Ų | 179 | 167.2 Ų | 167.2 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | trans | -124.8 | 110.6 | 165.8 | -125.2 | -55.2 | 0 | 0 | 0 | 107.7 | Q14 K18 | Q14-H16 PolarHBondContact O-N 3.43Å; H16-K18 PolarHBondContact O-N 3.25Å | ||
| 17 | D | 29.4 | Very low | 37.3 | Very low | 137 Ų | 137 | 168.9 Ų | 168.9 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | trans | -61.2 | 131.3 | 179 | -60 | -68.8 | 0 | 0 | 0 | 110.6 | E19 | D17-E19 PolarHBondContact O-N 2.96Š| ||
| 18 | K | 35.8 | Very low | 37.4 | Very low | 200 Ų | 200 | 170.4 Ų | 170.4 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | trans | -85.2 | 96 | 172.7 | -73.2 | 175.3 | 180 | 170.2 | 0 | 107.9 | H16 I20 | H16-K18 PolarHBondContact O-N 3.25Å; K18-I20 PolarHBondContact O-N 3.46Å | ||
| 19 | E | 31.5 | Very low | 37.7 | Very low | 180 Ų | 180 | 169.2 Ų | 169.2 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -48.5 | 116 | 173.2 | -73.8 | -171.5 | 103.1 | 0 | 0 | 110.7 | D17 S21 | D17-E19 PolarHBondContact O-N 2.96Å; E19-S21 VanDerWaalsContact C-N 3.33Å; E19-S21 PolarHBondContact O-N 3Å | ||
| 20 | I | 38.6 | Very low | 37.9 | Very low | 159 Ų | 159 | 167.2 Ų | 167.2 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | trans | -67.3 | 97.8 | 171.4 | -60.6 | 173.3 | 0 | 0 | 0 | 106.6 | K18 R22 | K18-I20 PolarHBondContact O-N 3.46Å; I20-R22 PolarHBondContact O-N 3.26Å | ||
| 21 | S | 37.3 | Very low | 38.3 | Very low | 115 Ų | 115 | 171 Ų | 171 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -61.6 | 98.7 | -175.6 | -70.8 | 0 | 0 | 0 | 0 | 110.4 | E19 | E19-S21 VanDerWaalsContact C-N 3.33Å; E19-S21 PolarHBondContact O-N 3Å | ||
| 22 | R | 39.6 | Very low | 38.4 | Very low | 229 Ų | 229 | 167.8 Ų | 167.8 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -61.3 | 152.8 | 178.8 | -65.5 | -174.4 | 177.9 | -164.5 | -0.7 | 110.8 | I20 R24 | I20-R22 PolarHBondContact O-N 3.26Å; R22-R24 PolarHBondContact O-N 3.21Å; R22-R24 VanDerWaalsContact O-N 3.12Å | ||
| 23 | S | 43.4 | Very low | 38.4 | Very low | 125 Ų | 125 | 165.8 Ų | 165.8 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -45.3 | 112.8 | -177.8 | 38.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 24 | R | 48.4 | Very low | 38.4 | Very low | 230 Ų | 230 | 166.6 Ų | 166.6 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 121.9 | 162.8 | -90 | -173 | 175 | 171.3 | 3 | 109.1 | R22 | R22-R24 PolarHBondContact O-N 3.21Å; R22-R24 VanDerWaalsContact O-N 3.12Å |
| 25 | I | 56.1 | Low | 38.4 | Very low | 152 Ų | 152 | 164.7 Ų | 164.7 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 128.3 | 165.9 | -59 | 167.3 | 0 | 0 | 0 | 108.2 | R27 | I25-R27 PolarHBondContact O-N 3.33Š|
| 26 | P | 51.5 | Low | 38.5 | Very low | 119 Ų | 119 | 165.5 Ų | 165.5 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -62 | 122.5 | 177.1 | 24.9 | -32.9 | 0 | 0 | 0 | 109.5 | ||
| 27 | R | 43.1 | Very low | 38.5 | Very low | 229 Ų | 229 | 165 Ų | 165 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 134.5 | 176.5 | -77 | -176 | 169.4 | 161.2 | -2.9 | 109.9 | I25 I29 | I25-R27 PolarHBondContact O-N 3.33Å; R27-I29 PolarHBondContact O-N 3.03Å |
| 28 | L | 40.8 | Very low | 38.6 | Very low | 154 Ų | 154 | 167.7 Ų | 167.7 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | trans | -55.5 | 110.9 | 175.3 | -65.1 | 171.4 | 0 | 0 | 0 | 110.7 | L30 | L28-L30 HydrophobicContact CB-CD1 4.33Å; L28-L30 PolarHBondContact O-N 3.45Å | ||
| 29 | I | 41.5 | Very low | 38.4 | Very low | 156 Ų | 156 | 166.3 Ų | 166.3 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | trans | -91.4 | 95.1 | 165.8 | -58.3 | 178.2 | 0 | 0 | 0 | 106.9 | R27 R31 | R27-I29 PolarHBondContact O-N 3.03Å; I29-R31 PolarHBondContact O-N 2.98Å; I29-R31 VanDerWaalsContact O-N 3.12Å | ||
| 30 | L | 39.3 | Very low | 38.3 | Very low | 148 Ų | 148 | 167.3 Ų | 167.3 | 78% | 0.775 | 82% | 0.815 | S | S | * | * | trans | -62.9 | 112.9 | 164.3 | -93 | 69.6 | 0 | 0 | 0 | 108.2 | L28 | L28-L30 HydrophobicContact CB-CD1 4.33Å; L28-L30 PolarHBondContact O-N 3.45Å | ||
| 31 | R | 38.2 | Very low | 37.9 | Very low | 231 Ų | 231 | 166.1 Ų | 166.1 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 131.2 | 163.1 | -83 | -175.8 | 171.4 | 168 | -1 | 108.5 | I29 H33 | I29-R31 PolarHBondContact O-N 2.98Å; I29-R31 VanDerWaalsContact O-N 3.12Å; R31-H33 PolarHBondContact O-N 2.72Å |
| 32 | P | 34.1 | Very low | 37.5 | Very low | 114 Ų | 114 | 165.6 Ų | 165.6 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 126.8 | 169.9 | -23.8 | 34.7 | 0 | 0 | 0 | 110.9 | M34 | P32-M34 PolarHBondContact O-N 3Š|
| 33 | H | 29.8 | Very low | 38.1 | Very low | 169 Ų | 169 | 161 Ų | 161 | 78% | 0.782 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 116.5 | 176.3 | 174.4 | -75.2 | 0 | 0 | 0 | 110.4 | R31 | R31-H33 PolarHBondContact O-N 2.72Š|
| 34 | M | 33.8 | Very low | 37.2 | Very low | 156 Ų | 156 | 159.3 Ų | 159.3 | 77% | 0.768 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 129.4 | 172 | -78.1 | -69.8 | 168 | 0 | 0 | 110.2 | P32 Q36 | P32-M34 PolarHBondContact O-N 3Å; M34-Q36 PolarHBondContact O-N 2.93Å |
| 35 | P | 32 | Very low | 36.4 | Very low | 106 Ų | 106 | 153.3 Ų | 153.3 | 69% | 0.688 | 80% | 0.798 | S | S | * | * | trans | -69.4 | 113.8 | 179.2 | 28.4 | -33.5 | 0 | 0 | 0 | 110.5 | Q37 | P35-Q37 PolarHBondContact O-N 2.85Š| ||
| 36 | Q | 33.2 | Very low | 35 | Very low | 188 Ų | 188 | 155.7 Ų | 155.7 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -71.6 | 122 | 179.6 | -165.6 | 169.9 | 9 | 0 | 0 | 110.5 | M34 | M34-Q36 PolarHBondContact O-N 2.93Š| ||
| 37 | Q | 30.4 | Very low | 33.9 | Very low | 167 Ų | 167 | 155 Ų | 155 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | trans | -68.3 | 135.7 | 179.2 | -73.4 | -177 | -29.1 | 0 | 0 | 111.3 | P35 H39 | P35-Q37 PolarHBondContact O-N 2.85Å; Q37-H39 PolarHBondContact O-N 3.36Å; Q37-H39 VanDerWaalsContact O-N 3.09Å | ||
| 38 | Q | 32 | Very low | 34 | Very low | 195 Ų | 195 | 148.9 Ų | 148.9 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | -69.5 | 103.2 | 176.5 | -68.5 | 178.7 | -15.8 | 0 | 0 | 110.8 | K40 | Q38-K40 PolarHBondContact O-N 2.72Š| ||
| 39 | H | 31.4 | Very low | 33.3 | Very low | 170 Ų | 170 | 150.2 Ų | 150.2 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | trans | -74.7 | 122.1 | 165.8 | -88.7 | -99.7 | 0 | 0 | 0 | 110.3 | Q37 | Q37-H39 PolarHBondContact O-N 3.36Å; Q37-H39 VanDerWaalsContact O-N 3.09Å | ||
| 40 | K | 30.2 | Very low | 32.8 | Very low | 201 Ų | 201 | 148.2 Ų | 148.2 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -64.3 | 132.6 | 170.2 | -71 | -177.2 | 175 | -177 | 0 | 110.3 | Q38 | Q38-K40 PolarHBondContact O-N 2.72Š| ||
| 41 | V | 30.9 | Very low | 32.6 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -129.8 | 141.8 | 157.6 | -176 | 0 | 0 | 0 | 0 | 108 | ||||
| 42 | S | 28.6 | Very low | 32.3 | Very low | 104 Ų | 104 | 147.1 Ų | 147.1 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -159.6 | 154.9 | -173.2 | -72.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 43 | P | 51.3 | Low | 32.2 | Very low | 131 Ų | 131 | 151.1 Ų | 151.1 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | -126.2 | 156.9 | -109.3 | 38.4 | -27.5 | 0 | 0 | 0 | 116.7 | |||||
| 44 | A | 24.5 | Very low | 32.2 | Very low | 90 Ų | 90 | 146.9 Ų | 146.9 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -155.2 | 115.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 45 | S | 31.1 | Very low | 32.2 | Very low | 105 Ų | 105 | 150.5 Ų | 150.5 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | 76.3 | 103 | 64.7 | 74.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 46 | E | 26.9 | Very low | 32.1 | Very low | 201 Ų | 201 | 153 Ų | 153 | 94% | 0.939 | 80% | 0.8 | S | S | * | * | -169.1 | 161.9 | 121.4 | -106.1 | 169.8 | -166.7 | 0 | 0 | 112 | |||||
| 47 | S | 30 | Very low | 31.9 | Very low | 106 Ų | 106 | 152.2 Ų | 152.2 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -149.5 | 139 | 177.2 | -175.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 48 | P | 44.8 | Very low | 32 | Very low | 99 Ų | 99 | 151.2 Ų | 151.2 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | -148.5 | 164.7 | 95.3 | 36.4 | -19 | 0 | 0 | 0 | 114.9 | |||||
| 49 | F | 25.1 | Very low | 32.5 | Very low | 182 Ų | 182 | 147.1 Ų | 147.1 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | 169.7 | 140.2 | 116.9 | -96.6 | -71.5 | 0 | 0 | 0 | 109.9 | |||||
| 50 | S | 31.4 | Very low | 32.5 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -156.6 | 111.8 | -178.1 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 51 | E | 35 | Very low | 32.5 | Very low | 183 Ų | 183 | 140.3 Ų | 140.3 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -146.4 | 144.5 | 174.7 | -60.9 | 178.4 | 162.4 | 0 | 0 | 104.9 | ||||
| 52 | E | 31.4 | Very low | 32.6 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | cis | -153.4 | 140.7 | 0.7 | 179.4 | -169.4 | 125.9 | 0 | 0 | 108 | ||||
| 53 | E | 32.4 | Very low | 32.7 | Very low | 199 Ų | 199 | 137.7 Ų | 137.7 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | trans | -143.2 | 145.7 | 159 | -162.8 | 174.1 | 137.8 | 0 | 0 | 109.7 | ||||
| 54 | S | 30.8 | Very low | 32 | Very low | 80 Ų | 80 | 143.5 Ų | 143.5 | 56% | 0.559 | 78% | 0.783 | S | S | * | * | trans | -134 | 145 | -160.1 | -86.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 55 | R | 32.9 | Very low | 32.4 | Very low | 232 Ų | 232 | 144.9 Ų | 144.9 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | trans | 82.2 | 148.1 | -179.8 | -51.3 | 178 | -175.9 | -143 | -2.3 | 113.1 | ||||
| 56 | E | 30.1 | Very low | 32.7 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | cis | -145.5 | 156.1 | 24.3 | -154.7 | 149.2 | -119.4 | 0 | 0 | 115.3 | ||||
| 57 | F | 27.8 | Very low | 33.3 | Very low | 172 Ų | 172 | 146.4 Ų | 146.4 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | -5.2 | 123.5 | 171.3 | -79.1 | -96.8 | 0 | 0 | 0 | 119.5 | ||||
| 58 | N | 33.6 | Very low | 33.7 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | -175.7 | 160.8 | 73.8 | -94.5 | -63.1 | 0 | 0 | 0 | 113 | |||||
| 59 | P | 43.1 | Very low | 33.3 | Very low | 109 Ų | 109 | 150.2 Ų | 150.2 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | trans | -105.7 | 143.6 | -177.4 | 37.7 | -31.5 | 0 | 0 | 0 | 115.6 | ||||
| 60 | S | 30.5 | Very low | 33.8 | Very low | 115 Ų | 115 | 147 Ų | 147 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -168.3 | 134.9 | 147.8 | -89.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 61 | S | 29.9 | Very low | 34.1 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | 60.3 | 130.8 | 151 | 66.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 62 | S | 32.8 | Very low | 34 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | 42 | 131.1 | 141.9 | -151.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 63 | G | 31.8 | Very low | 34.3 | Very low | 62 Ų | 62 | 140.1 Ų | 140.1 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | cis | 117.4 | 120.4 | 8.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 64 | R | 35.5 | Very low | 34.5 | Very low | 253 Ų | 253 | 139.9 Ų | 139.9 | 96% | 0.955 | 78% | 0.781 | S | S | * | * | trans | 57.7 | 124.6 | 176.6 | -68.6 | 179.6 | 161.2 | -150.7 | -3.9 | 117.4 | ||||
| 65 | S | 33.3 | Very low | 34.7 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | -170.9 | 141.9 | 100.3 | -166.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 66 | A | 38.1 | Very low | 34.9 | Very low | 89 Ų | 89 | 134.7 Ų | 134.7 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -117.7 | 142.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 67 | R | 38.3 | Very low | 35.2 | Very low | 248 Ų | 248 | 134.9 Ų | 134.9 | 94% | 0.936 | 79% | 0.785 | S | S | * | * | trans | -161.8 | 141.9 | 154.7 | -115.3 | 159.3 | -172.7 | 159.2 | 2.3 | 113.5 | ||||
| 68 | T | 38.4 | Very low | 35.7 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -93.4 | 153.8 | 177.3 | 50 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 69 | V | 35.9 | Very low | 36.2 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 95% | 0.952 | 79% | 0.785 | S | S | * | * | trans | -153.6 | 156.6 | 146.9 | -105.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 70 | S | 36.1 | Very low | 35.7 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -144.9 | 151.2 | -171.6 | 177.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 71 | S | 37.3 | Very low | 36.3 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | 179.7 | 162.1 | 174.5 | -82.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 72 | N | 34.8 | Very low | 37 | Very low | 143 Ų | 143 | 132.4 Ų | 132.4 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | cis | -175.1 | 160.2 | -25.2 | -100.4 | -3.7 | 0 | 0 | 0 | 107.7 | ||||
| 73 | S | 36.2 | Very low | 36.9 | Very low | 81 Ų | 81 | 131.7 Ų | 131.7 | 57% | 0.566 | 79% | 0.788 | S | S | * | * | cis | -178.6 | 127.5 | -22.9 | 53.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 74 | F | 37 | Very low | 37.4 | Very low | 194 Ų | 194 | 133.6 Ų | 133.6 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | 63.8 | 160.9 | 168.5 | -75.8 | -95.9 | 0 | 0 | 0 | 116.8 | ||||
| 75 | C | 34.6 | Very low | 37.3 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | cis | -136.9 | -164.3 | 4.2 | -101.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 76 | S | 38.7 | Very low | 37.2 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | 164.6 | 104.6 | -61.7 | -77.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 77 | D | 35.8 | Very low | 36.9 | Very low | 162 Ų | 162 | 132 Ų | 132 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | -177 | 134.4 | 160.9 | -94.7 | -12.9 | 0 | 0 | 0 | 106.2 | ||||
| 78 | D | 38.6 | Very low | 36.6 | Very low | 144 Ų | 144 | 125.2 Ų | 125.2 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | cis | 77.4 | 131.8 | 34.5 | -140.1 | 21.4 | 0 | 0 | 0 | 112.3 | ||||
| 79 | T | 42.7 | Very low | 37.1 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | cis | -144.4 | 170.1 | 22.7 | 54 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 80 | G | 33.3 | Very low | 37 | Very low | 71 Ų | 71 | 123 Ų | 123 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | trans | 141.5 | 94.2 | 147.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 81 | C | 43 | Very low | 36.8 | Very low | 129 Ų | 129 | 127 Ų | 127 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | trans | -138.7 | 140.3 | 164.6 | -73.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 82 | P | 44.5 | Very low | 36.9 | Very low | 132 Ų | 132 | 128.2 Ų | 128.2 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | trans | -94.8 | 158.3 | 158.4 | 35.9 | -30.4 | 0 | 0 | 0 | 111.3 | ||||
| 83 | S | 31.8 | Very low | 37.4 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -151.8 | 159.8 | -174.5 | -177.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 84 | S | 40.6 | Very low | 37.2 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | 74.8 | 118.9 | 155.4 | -60.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 85 | Q | 34.8 | Very low | 36.8 | Very low | 189 Ų | 189 | 126 Ų | 126 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | 170.9 | 146.3 | 121.7 | -91.4 | 171.9 | 41.9 | 0 | 0 | 109.7 | |||||
| 86 | S | 31.7 | Very low | 36.6 | Very low | 94 Ų | 94 | 125.1 Ų | 125.1 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | cis | -163.7 | 131.8 | -4.2 | 52.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 87 | V | 31.1 | Very low | 36.1 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | 67.2 | 162.2 | 129.2 | -172.9 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 88 | S | 30.9 | Very low | 35.9 | Very low | 104 Ų | 104 | 124.1 Ų | 124.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -142.8 | -167.1 | -165 | -114.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 89 | P | 50.6 | Low | 35.6 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | cis | -139.4 | -166.2 | -39.7 | 42 | -24 | 0 | 0 | 0 | 114 | ||||
| 90 | V | 32.9 | Very low | 35.8 | Very low | 131 Ų | 131 | 122.1 Ų | 122.1 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | 61.7 | 125.3 | 155.3 | 175.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 91 | K | 31.6 | Very low | 35.7 | Very low | 200 Ų | 200 | 127 Ų | 127 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -165.5 | 133.3 | 134.6 | -117.1 | 172.2 | -177 | 176 | 0 | 115.9 | ||||
| 92 | T | 38.7 | Very low | 35 | Very low | 125 Ų | 125 | 123.7 Ų | 123.7 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | trans | -119 | -179.4 | 154.2 | 51.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 93 | P | 45.7 | Very low | 34.2 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | cis | -142.7 | -151.1 | 14.3 | 43.7 | -21 | 0 | 0 | 0 | 115.1 | ||||
| 94 | S | 32.6 | Very low | 34.1 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | 92.9 | 153.3 | 160.8 | -53 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 95 | D | 28.1 | Very low | 35 | Very low | 149 Ų | 149 | 129 Ų | 129 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | cis | -170.3 | 150.9 | -36.3 | -171.9 | 22.1 | 0 | 0 | 0 | 109 | ||||
| 96 | A | 30 | Very low | 34.5 | Very low | 94 Ų | 94 | 122.9 Ų | 122.9 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | trans | 53.2 | 154.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 97 | G | 30 | Very low | 34.8 | Very low | 62 Ų | 62 | 124 Ų | 124 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | cis | 175.5 | -170.2 | -4.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 98 | N | 30.2 | Very low | 34.9 | Very low | 170 Ų | 170 | 123.3 Ų | 123.3 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | trans | 80.4 | 111.5 | 166.9 | -51.7 | -12.6 | 0 | 0 | 0 | 119.6 | ||||
| 99 | S | 32.1 | Very low | 35.3 | Very low | 115 Ų | 115 | 126 Ų | 126 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -98.9 | 171.4 | 144.7 | -38.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 100 | P | 48.3 | Very low | 34.7 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | -155.4 | -179.2 | 66.1 | 42.1 | -21.4 | 0 | 0 | 0 | 117.5 | |||||
| 101 | I | 30.4 | Very low | 34.8 | Very low | 173 Ų | 173 | 127.8 Ų | 127.8 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | trans | 68.7 | 153.5 | 161.2 | -109.9 | 66.8 | 0 | 0 | 0 | 116.1 | ||||
| 102 | G | 27.9 | Very low | 34.9 | Very low | 61 Ų | 61 | 123.4 Ų | 123.4 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | cis | -161.6 | -166.1 | 1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 103 | F | 28.1 | Very low | 34.8 | Very low | 205 Ų | 205 | 126.5 Ų | 126.5 | 90% | 0.899 | 75% | 0.753 | S | S | * | * | trans | -89.9 | 158 | -167.8 | -71.9 | -97.1 | 0 | 0 | 0 | 116.7 | ||||
| 104 | C | 30.4 | Very low | 34.5 | Very low | 114 Ų | 114 | 130 Ų | 130 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | -2.4 | 169 | 149.4 | -56.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 105 | P | 57.9 | Low | 34.6 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | cis | -139.1 | -169.5 | -31.9 | 38.9 | -19.5 | 0 | 0 | 0 | 113.9 | ||||
| 106 | G | 26.3 | Very low | 34.9 | Very low | 61 Ų | 61 | 131.8 Ų | 131.8 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | trans | 158.8 | 147.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 107 | S | 36.4 | Very low | 35.2 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | cis | 58.9 | 136.6 | 33.3 | 74.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 108 | D | 34.4 | Very low | 35.5 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | cis | -161.2 | -167.1 | 32.6 | -149.8 | -23 | 0 | 0 | 0 | 112.8 | ||||
| 109 | E | 37.7 | Very low | 35.7 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | 72.4 | 150.5 | 164 | -45.8 | -61.8 | -178.4 | 0 | 0 | 119.9 | ||||
| 110 | D | 39.5 | Very low | 36 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 58% | 0.578 | 75% | 0.75 | S | S | * | * | cis | -165.1 | 164.2 | -32 | -176.5 | 26.2 | 0 | 0 | 0 | 108.2 | ||||
| 111 | F | 33.9 | Very low | 35.4 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 75% | 0.746 | 76% | 0.756 | S | S | * | * | 167 | 115.3 | 117.5 | -96.1 | -57 | 0 | 0 | 0 | 116.7 | |||||
| 112 | T | 35 | Very low | 35.5 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | trans | 74.3 | 148.8 | 151.2 | 78.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 113 | R | 35.4 | Very low | 35.8 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | cis | -160.4 | 126.3 | 2.7 | 123.3 | -169.5 | -44.6 | -146.1 | 9.3 | 113 | ||||
| 114 | K | 39.5 | Very low | 35.9 | Very low | 183 Ų | 183 | 132.1 Ų | 132.1 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | trans | 58.4 | 149.5 | 143.8 | -45.3 | 175.3 | -165.8 | -175.4 | 0 | 117.6 | ||||
| 115 | K | 34.7 | Very low | 35.8 | Very low | 192 Ų | 192 | 132.6 Ų | 132.6 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | cis | -158.9 | 128.4 | 13.1 | -172.3 | -175.2 | 172.1 | -170.5 | 0 | 111.9 | ||||
| 116 | C | 35.2 | Very low | 34.7 | Very low | 108 Ų | 108 | 134 Ų | 134 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | trans | 4.8 | 152.6 | 134.8 | -62.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 117 | T | 35.7 | Very low | 34.9 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | cis | 174.9 | 152.2 | 5.3 | -99.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 118 | I | 36.3 | Very low | 34.7 | Very low | 163 Ų | 163 | 139 Ų | 139 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | trans | 61.7 | 149 | 159.6 | -78 | 162.8 | 0 | 0 | 0 | 119.3 | ||||
| 119 | G | 34.1 | Very low | 34.6 | Very low | 61 Ų | 61 | 137.2 Ų | 137.2 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | cis | 145.8 | 167.9 | -8.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 120 | M | 39.4 | Very low | 34.6 | Very low | 180 Ų | 180 | 139 Ų | 139 | 89% | 0.887 | 76% | 0.763 | S | S | * | * | trans | 67.7 | 153.9 | 167.6 | -76.9 | 171.4 | 63.1 | 0 | 0 | 118.7 | ||||
| 121 | V | 34.6 | Very low | 34.2 | Very low | 139 Ų | 139 | 143 Ų | 143 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | cis | -162.5 | 170 | -18.4 | 71.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 122 | G | 32.8 | Very low | 34.4 | Very low | 64 Ų | 64 | 143 Ų | 143 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | trans | 130.1 | 112.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 123 | E | 34.2 | Very low | 34.5 | Very low | 207 Ų | 207 | 146 Ų | 146 | 97% | 0.967 | 77% | 0.774 | S | S | * | * | cis | 93 | 118.9 | 41 | -167.8 | 168.1 | -141.8 | 0 | 0 | 113.7 | ||||
| 124 | G | 30.2 | Very low | 34.4 | Very low | 76 Ų | 76 | 143.3 Ų | 143.3 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | trans | 160.6 | 144.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 125 | S | 29.3 | Very low | 34.3 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -150.1 | 179.9 | -165 | -169 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 126 | I | 33.7 | Very low | 34.5 | Very low | 163 Ų | 163 | 141 Ų | 141 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | 98 | 159.5 | 168.8 | -56 | 176.7 | 0 | 0 | 0 | 116.4 | ||||
| 127 | Q | 30.9 | Very low | 34.4 | Very low | 175 Ų | 175 | 142 Ų | 142 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -132 | -178.7 | -144.8 | -50.6 | 172.4 | -48.9 | 0 | 0 | 115.7 | ||||
| 128 | S | 33 | Very low | 34 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | 84.8 | 135.5 | 159.7 | 78.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 129 | S | 32.4 | Very low | 34 | Very low | 96 Ų | 96 | 140.8 Ų | 140.8 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | cis | 86.7 | 144.5 | 27.1 | 91.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 130 | R | 37.8 | Very low | 34 | Very low | 198 Ų | 198 | 143.9 Ų | 143.9 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | cis | -127.1 | -150 | 30.7 | -56.3 | 169 | -175.5 | 139.4 | 1.9 | 110.4 | ||||
| 131 | Y | 29.8 | Very low | 34.1 | Very low | 192 Ų | 192 | 144.8 Ų | 144.8 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | cis | -147.3 | 142.8 | 16.7 | -66.6 | -92.2 | 0 | 0 | 0 | 109.4 | ||||
| 132 | K | 38 | Very low | 34.6 | Very low | 170 Ų | 170 | 144.2 Ų | 144.2 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | 64 | 118.5 | 86.2 | -123.9 | -157.2 | 176.7 | -149.1 | 0 | 114.7 | E134 | K132-E134 IonicContact NZ-OE1 3Å; K132-E134 PolarHBondContact NZ-OE1 2.96Å | |||
| 133 | K | 36.7 | Very low | 34.5 | Very low | 170 Ų | 170 | 144.8 Ų | 144.8 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | -165.1 | 129.9 | 72.9 | 174.2 | 178.1 | -178.9 | -171.4 | 0 | 114.8 | |||||
| 134 | E | 34.6 | Very low | 34.6 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 63% | 0.631 | 79% | 0.792 | S | S | * | * | trans | 43.1 | 154.5 | 147.6 | -69.4 | 141.2 | -149.3 | 0 | 0 | 121.8 | K132 | K132-E134 IonicContact NZ-OE1 3Å; K132-E134 PolarHBondContact NZ-OE1 2.96Å | ||
| 135 | S | 36.2 | Very low | 34.7 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | cis | -146.3 | -177.6 | 6.9 | 56.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 136 | K | 39 | Very low | 35 | Very low | 205 Ų | 205 | 143.8 Ų | 143.8 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -116 | 130.7 | -177.9 | -72 | 179.3 | 175.1 | 179.8 | 0 | 113.6 | ||||
| 137 | S | 33.9 | Very low | 35.1 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | 161.9 | 146.6 | 139.1 | 55.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 138 | G | 28.2 | Very low | 35.3 | Very low | 71 Ų | 71 | 145.3 Ų | 145.3 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | cis | 169.2 | 144.4 | -13.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 139 | L | 34.6 | Very low | 35.2 | Very low | 174 Ų | 174 | 145.8 Ų | 145.8 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | 69.5 | 155 | 167.1 | -156.5 | 63.6 | 0 | 0 | 0 | 118.5 | ||||
| 140 | V | 35.3 | Very low | 35.2 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | trans | 67.5 | 123.1 | 176.6 | -164.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 141 | K | 41.8 | Very low | 35 | Very low | 199 Ų | 199 | 142.6 Ų | 142.6 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | trans | -92 | 127.4 | 166.5 | -65.2 | 179.1 | 178.4 | -178.9 | 0 | 109.4 | ||||
| 142 | P | 43.9 | Very low | 35 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -81.3 | 140.9 | 155.8 | 33 | -29.8 | 0 | 0 | 0 | 109.5 | ||||
| 143 | G | 31.8 | Very low | 35 | Very low | 76 Ų | 76 | 136.8 Ų | 136.8 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | -146.2 | 121.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 144 | S | 35.1 | Very low | 34.9 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | -134.9 | 157 | -177.8 | -65 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 145 | E | 32.2 | Very low | 34.8 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | trans | 102.5 | 132.1 | 162.9 | -60.7 | 173.4 | -165.2 | 0 | 0 | 117.1 | ||||
| 146 | A | 36.3 | Very low | 34.7 | Very low | 86 Ų | 86 | 132.5 Ų | 132.5 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | trans | 49.4 | 120.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 147 | D | 35.7 | Very low | 34.4 | Very low | 161 Ų | 161 | 130.7 Ų | 130.7 | 86% | 0.861 | 82% | 0.823 | S | S | * | * | cis | -162.3 | 160.1 | 41.1 | -95.4 | -40.9 | 0 | 0 | 0 | 113.1 | ||||
| 148 | F | 35.2 | Very low | 34.4 | Very low | 209 Ų | 209 | 129.8 Ų | 129.8 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | trans | -97.8 | 102.5 | 174.2 | -86.2 | -86.1 | 0 | 0 | 0 | 112.5 | ||||
| 149 | S | 31.9 | Very low | 34.8 | Very low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -170.7 | 100.9 | 153.4 | -87.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 150 | S | 30.6 | Very low | 35.4 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | 168.4 | 127.8 | 127.9 | -78.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 151 | S | 34.3 | Very low | 35.4 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | 20 | 141.9 | 142.5 | -50.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 152 | S | 30.2 | Very low | 35 | Very low | 128 Ų | 128 | 124.2 Ų | 124.2 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | -139.6 | 152.9 | 153.9 | -73.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 153 | S | 37.1 | Very low | 34.4 | Very low | 111 Ų | 111 | 125.6 Ų | 125.6 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -130.2 | 152.5 | -160.9 | -45.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 154 | T | 34.7 | Very low | 34.5 | Very low | 154 Ų | 154 | 128.7 Ų | 128.7 | 95% | 0.945 | 78% | 0.782 | S | S | * | * | trans | -176.3 | 142.9 | 150.1 | 40.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 155 | G | 32.1 | Very low | 34.4 | Very low | 61 Ų | 61 | 128.5 Ų | 128.5 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | cis | -157.8 | 153.6 | -7.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 156 | S | 34 | Very low | 34.6 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | 64.6 | 124.4 | 93.7 | -53.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 157 | I | 34.2 | Very low | 34.4 | Very low | 167 Ų | 167 | 126.4 Ų | 126.4 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | cis | -133.9 | -174.9 | 20.3 | 60.3 | 174.4 | 0 | 0 | 0 | 110.2 | ||||
| 158 | S | 33.6 | Very low | 34 | Very low | 109 Ų | 109 | 122.4 Ų | 122.4 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | cis | -153.7 | -178.2 | 9 | 60.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 159 | A | 35.6 | Very low | 33.7 | Very low | 75 Ų | 75 | 118.6 Ų | 118.6 | 62% | 0.62 | 78% | 0.779 | S | S | * | * | trans | -146.1 | 169.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 160 | P | 48.1 | Very low | 33.8 | Very low | 118 Ų | 118 | 122 Ų | 122 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | -135.3 | 138.9 | 73.8 | 22.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 161 | E | 34.7 | Very low | 34 | Very low | 167 Ų | 167 | 127.9 Ų | 127.9 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | 77.4 | 130.6 | 68.3 | -78.2 | -169.9 | 88.5 | 0 | 0 | 115.2 | |||||
| 162 | V | 34 | Very low | 33.8 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 56% | 0.564 | 79% | 0.789 | S | S | * | * | cis | -124 | -126.3 | -6.8 | -155.5 | 0 | 0 | 0 | 0 | 110.9 | M164 | V162-M164 HydrophobicContact CG1-CE 4.34Š| ||
| 163 | H | 31.1 | Very low | 33.8 | Very low | 157 Ų | 157 | 127.9 Ų | 127.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | -147.7 | 146.9 | 5.6 | -85.4 | -78.7 | 0 | 0 | 0 | 113.2 | ||||
| 164 | M | 34.7 | Very low | 33.3 | Very low | 140 Ų | 140 | 128.4 Ų | 128.4 | 69% | 0.69 | 79% | 0.787 | S | S | * | * | trans | 20.6 | 123.6 | 146.1 | -45 | -44.6 | 162.5 | 0 | 0 | 120.7 | V162 | V162-M164 HydrophobicContact CG1-CE 4.34Š| ||
| 165 | S | 32.2 | Very low | 33.3 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | 71.8 | 145.8 | 60.1 | -58.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 166 | T | 36.3 | Very low | 33.4 | Very low | 129 Ų | 129 | 134 Ų | 134 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | cis | -149.5 | 163.1 | 28.3 | 51.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 167 | A | 31.1 | Very low | 33.3 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | 54.5 | 152.4 | 148.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 168 | G | 29.2 | Very low | 33.5 | Very low | 77 Ų | 77 | 139.1 Ų | 139.1 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | cis | 127.8 | 104.7 | -8.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 169 | S | 28.2 | Very low | 33.3 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -156.9 | 169.7 | 162.3 | -164.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 170 | K | 34.1 | Very low | 33.9 | Very low | 187 Ų | 187 | 138.6 Ų | 138.6 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -118.4 | 149.9 | -167.6 | -63.9 | 173 | -178.4 | 172.3 | 0 | 112.7 | ||||
| 171 | R | 35 | Very low | 33.1 | Very low | 239 Ų | 239 | 141.9 Ų | 141.9 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | 29.9 | 130.3 | 148.6 | -62.5 | -178.6 | 174.4 | -155.3 | -1.6 | 119 | ||||
| 172 | S | 28.8 | Very low | 32.8 | Very low | 130 Ų | 130 | 137 Ų | 137 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | 173.9 | 171.3 | 99.7 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 173 | S | 30.4 | Very low | 32.8 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -116.3 | 146.1 | -174.7 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 174 | S | 27.8 | Very low | 32.9 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -163.6 | 157.7 | 142.7 | 54.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 175 | S | 34.2 | Very low | 32.7 | Very low | 102 Ų | 102 | 142.7 Ų | 142.7 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | trans | -93.7 | 149.3 | 178.1 | 163.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 176 | R | 33.5 | Very low | 32.7 | Very low | 231 Ų | 231 | 141.5 Ų | 141.5 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | trans | -144.2 | 124.6 | 156 | -70.7 | -164.9 | 171 | 177.3 | -2.6 | 112.3 | ||||
| 177 | N | 32.8 | Very low | 32.5 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -86.2 | 144 | 162.8 | -81.8 | -51.8 | 0 | 0 | 0 | 110.5 | ||||
| 178 | R | 37.8 | Very low | 32.7 | Very low | 244 Ų | 244 | 140.7 Ų | 140.7 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -167.8 | 132.4 | 159.8 | -109.8 | 169.1 | -169.2 | 175.4 | 1.9 | 112 | ||||
| 179 | G | 29.8 | Very low | 32.9 | Very low | 68 Ų | 68 | 141 Ų | 141 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | -117.4 | -157.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 180 | P | 47.6 | Very low | 33.2 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 68% | 0.682 | 80% | 0.803 | S | S | * | * | cis | -134.9 | -155.6 | -0.8 | 39.8 | -19.3 | 0 | 0 | 0 | 113.2 | ||||
| 181 | H | 30.9 | Very low | 33.3 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | 78.3 | 143.6 | 176.3 | -42.6 | -61.7 | 0 | 0 | 0 | 116.4 | ||||
| 182 | G | 28.6 | Very low | 33.7 | Very low | 66 Ų | 66 | 138.4 Ų | 138.4 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | cis | 168.8 | 164.8 | -9.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 183 | R | 35.2 | Very low | 33.7 | Very low | 251 Ų | 251 | 135.6 Ų | 135.6 | 95% | 0.947 | 79% | 0.792 | S | S | * | * | trans | 72.8 | 146.4 | 179 | -71.8 | -179.4 | 155 | -146.3 | -6.5 | 116.5 | ||||
| 184 | S | 31.8 | Very low | 33.7 | Very low | 89 Ų | 89 | 136.3 Ų | 136.3 | 62% | 0.622 | 80% | 0.797 | S | S | * | * | cis | -166.3 | 155.3 | -6.7 | 45.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 185 | N | 31.5 | Very low | 33.9 | Very low | 168 Ų | 168 | 136 Ų | 136 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | 78.9 | 131.7 | 153.1 | -61.5 | -7.8 | 0 | 0 | 0 | 121 | ||||
| 186 | G | 31.8 | Very low | 34.7 | Very low | 81 Ų | 81 | 137 Ų | 137 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 156.7 | 119.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 187 | A | 32.8 | Very low | 34.4 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -101.8 | 173.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 188 | S | 35.3 | Very low | 34.4 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | cis | -155.4 | 161.1 | 15 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 189 | S | 33.7 | Very low | 34.6 | Very low | 83 Ų | 83 | 123.3 Ų | 123.3 | 58% | 0.58 | 79% | 0.785 | S | S | * | * | trans | 15.6 | 129.8 | 148.3 | -155.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 190 | H | 33.5 | Very low | 34.8 | Very low | 180 Ų | 180 | 130 Ų | 130 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | -162.4 | 158.6 | 68.8 | -91.1 | -84.7 | 0 | 0 | 0 | 114.5 | |||||
| 191 | K | 37.4 | Very low | 34 | Very low | 197 Ų | 197 | 130.9 Ų | 130.9 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | trans | -131.5 | 174.1 | 166.9 | -102.9 | -175.1 | 177.1 | -179 | 0 | 107.8 | ||||
| 192 | P | 41.7 | Very low | 34.2 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | cis | -120.1 | -166.7 | 9.1 | 38.8 | -21 | 0 | 0 | 0 | 112.2 | ||||
| 193 | G | 29.4 | Very low | 34.3 | Very low | 71 Ų | 71 | 134.8 Ų | 134.8 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | cis | 125.4 | 101.2 | -9.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 194 | S | 30.8 | Very low | 34.3 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | -170.7 | 164.6 | 165.1 | 57.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 195 | S | 32.2 | Very low | 34.3 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -170.2 | 168.3 | 174.2 | 60.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 196 | P | 49.7 | Very low | 34.3 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | cis | -126 | 172.8 | -18.2 | 40.5 | -27 | 0 | 0 | 0 | 113.4 | ||||
| 197 | S | 28.7 | Very low | 34.5 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -162.2 | 157 | 153.3 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 198 | S | 31.8 | Very low | 34.4 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -124.1 | 175.9 | 169.4 | 69.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 199 | P | 43.3 | Very low | 34.1 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 69% | 0.688 | 79% | 0.79 | S | S | * | * | cis | -139.5 | -175.8 | 10.6 | 43.5 | -25.7 | 0 | 0 | 0 | 116.9 | ||||
| 200 | R | 32.9 | Very low | 34 | Very low | 209 Ų | 209 | 146.4 Ų | 146.4 | 79% | 0.789 | 80% | 0.804 | S | S | * | * | trans | 81.4 | 143.1 | 152.2 | -90.5 | 173 | 170.9 | -117.1 | 6.4 | 121.2 | ||||
| 201 | E | 30.6 | Very low | 33.8 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 58% | 0.575 | 80% | 0.803 | S | S | * | * | trans | 64.2 | 85.4 | 148.8 | -67.2 | 162 | -138.2 | 0 | 0 | 119.5 | ||||
| 202 | K | 34.8 | Very low | 33.5 | Very low | 187 Ų | 187 | 143.5 Ų | 143.5 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | -177.3 | 158.9 | 101.3 | -92.3 | 143.5 | -162.9 | 151.6 | 0 | 114.8 | |||||
| 203 | D | 32.5 | Very low | 33 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -53.8 | 123.8 | -167.9 | -47.2 | -62.2 | 0 | 0 | 0 | 116.7 | ||||
| 204 | L | 34.4 | Very low | 33.1 | Very low | 169 Ų | 169 | 146 Ų | 146 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | -155.8 | 88.1 | 147.9 | -83 | -166.9 | 0 | 0 | 0 | 111.2 | ||||
| 205 | L | 31.4 | Very low | 33.6 | Very low | 182 Ų | 182 | 145.6 Ų | 145.6 | 95% | 0.953 | 79% | 0.791 | S | S | * | * | trans | -136.1 | 112.1 | 157.7 | -83.2 | -179.3 | 0 | 0 | 0 | 109.6 | ||||
| 206 | S | 32.4 | Very low | 33.5 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -115.9 | 142.5 | 177.1 | -96.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 207 | M | 34.8 | Very low | 32.7 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 77% | 0.768 | 79% | 0.793 | S | S | * | * | trans | 61.5 | 68.2 | 158.5 | -56.5 | -54.8 | -69.5 | 0 | 0 | 117.9 | ||||
| 208 | L | 30.5 | Very low | 33 | Very low | 178 Ų | 178 | 148.7 Ų | 148.7 | 93% | 0.932 | 79% | 0.785 | S | S | * | * | trans | -123.7 | 113.8 | 141.9 | -110.5 | 167.6 | 0 | 0 | 0 | 108.7 | R210 | L208-R210 PolarHBondContact O-N 3.2Š| ||
| 209 | C | 30.4 | Very low | 33.1 | Very low | 101 Ų | 101 | 152 Ų | 152 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | trans | -78.5 | 113.2 | -163.3 | -65.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 210 | R | 31.3 | Very low | 33 | Very low | 233 Ų | 233 | 151.9 Ų | 151.9 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -53.5 | 132.9 | 161.2 | 173.5 | -171.3 | -176.4 | -175.8 | 2.6 | 111 | L208 | L208-R210 PolarHBondContact O-N 3.2Š| ||
| 211 | N | 27.9 | Very low | 32.8 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -156.1 | 114.1 | 157.1 | -98.8 | -31.6 | 0 | 0 | 0 | 110.7 | ||||
| 212 | Q | 32.8 | Very low | 33.1 | Very low | 164 Ų | 164 | 152.3 Ų | 152.3 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -151.4 | 123.2 | 168 | -86.7 | -71.5 | 56.2 | 0 | 0 | 108.8 | ||||
| 213 | L | 31.5 | Very low | 33.4 | Very low | 140 Ų | 140 | 147.7 Ų | 147.7 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | 53.2 | 99.2 | 152.6 | -67.7 | 147.3 | 0 | 0 | 0 | 121.2 | ||||
| 214 | S | 30.6 | Very low | 33.6 | Very low | 108 Ų | 108 | 146.4 Ų | 146.4 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | 63.8 | 167.3 | 129.5 | 74.6 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 215 | P | 41.2 | Very low | 33.5 | Very low | 117 Ų | 117 | 144 Ų | 144 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | cis | -127.2 | 175.8 | -1.7 | 42.3 | -27.7 | 0 | 0 | 0 | 116.2 | ||||
| 216 | V | 30.2 | Very low | 33.6 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | trans | -2.4 | 124.6 | 160.2 | -175.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 217 | N | 33.2 | Very low | 34.2 | Very low | 162 Ų | 162 | 141 Ų | 141 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | -147.6 | 158.9 | 137.9 | -147.3 | -39.3 | 0 | 0 | 0 | 110.5 | ||||
| 218 | I | 35.5 | Very low | 33.9 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 70% | 0.697 | 79% | 0.794 | S | S | * | * | trans | -107.5 | 121.1 | -165.3 | -60.1 | 169.4 | 0 | 0 | 0 | 110.9 | ||||
| 219 | H | 33.3 | Very low | 34.2 | Very low | 180 Ų | 180 | 136.4 Ų | 136.4 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | trans | -157.7 | 130.9 | 145.7 | -130.8 | -85.3 | 0 | 0 | 0 | 112.3 | ||||
| 220 | P | 41.8 | Very low | 34.4 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | trans | -90.2 | 128.9 | 176.8 | 33.1 | -31.9 | 0 | 0 | 0 | 112 | ||||
| 221 | S | 28.7 | Very low | 34.7 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -168.9 | 125.9 | 151.2 | -87.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 222 | Y | 35.6 | Very low | 35.2 | Very low | 229 Ų | 229 | 132.9 Ų | 132.9 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | 38.4 | 129.5 | 149.6 | -77 | -91.8 | 0 | 0 | 0 | 121.9 | ||||
| 223 | A | 41.9 | Very low | 35.4 | Very low | 90 Ų | 90 | 128.1 Ų | 128.1 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -70.3 | 138.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 224 | P | 35.9 | Very low | 35.9 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -91 | 106.1 | 168 | 33.2 | -29.6 | 0 | 0 | 0 | 111.2 | ||||
| 225 | S | 32.7 | Very low | 36.1 | Very low | 119 Ų | 119 | 131 Ų | 131 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -69.1 | 127.5 | 166.5 | -59.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 226 | S | 33.3 | Very low | 36.3 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -83.6 | 169.4 | 170.9 | -52.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 227 | P | 44.1 | Very low | 36.9 | Very low | 119 Ų | 119 | 132.1 Ų | 132.1 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | -121.6 | 170.5 | -102.3 | 21.9 | 0.4 | 0 | 0 | 0 | 113.1 | |||||
| 228 | S | 30.3 | Very low | 37.2 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -148.4 | 124.9 | 160.4 | -78.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 229 | S | 36.9 | Very low | 37.7 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -92.3 | 143.9 | -173.2 | 49.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 230 | S | 34.1 | Very low | 38 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | -167.9 | 147 | 127.8 | -85 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 231 | N | 37.6 | Very low | 37.9 | Very low | 166 Ų | 166 | 128.2 Ų | 128.2 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -73.6 | 143.2 | -174.6 | -53.1 | -29.8 | 0 | 0 | 0 | 111.9 | ||||
| 232 | S | 38.8 | Very low | 38.9 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | -160.1 | 157.3 | 108.8 | -158.5 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 233 | G | 36 | Very low | 39.1 | Very low | 65 Ų | 65 | 125 Ų | 125 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | trans | -110.9 | 156.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 234 | S | 41.9 | Very low | 39.6 | Very low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | 53.7 | 114.1 | 148 | -156.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 235 | Y | 35.6 | Very low | 40.2 | Very low | 204 Ų | 204 | 133.5 Ų | 133.5 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | -158 | 179.2 | 92.8 | -126.2 | -101.8 | 0 | 0 | 0 | 112.4 | |||||
| 236 | K | 45.3 | Very low | 41.6 | Very low | 188 Ų | 188 | 140 Ų | 140 | 82% | 0.817 | 81% | 0.814 | S | S | * | * | trans | -48.8 | 138.1 | 178.2 | -71.2 | 166.5 | 166.3 | -78.8 | 0 | 112.7 | ||||
| 237 | G | 41.8 | Very low | 42.1 | Very low | 80 Ų | 80 | 139.7 Ų | 139.7 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -82.1 | 175.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 238 | S | 40.8 | Very low | 42.7 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -151.5 | 132.5 | 159.8 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 239 | D | 45.4 | Very low | 44 | Very low | 156 Ų | 156 | 141.9 Ų | 141.9 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | -67.9 | 135.9 | 167.3 | -53.9 | -83.7 | 0 | 0 | 0 | 109.9 | ||||
| 240 | C | 38.5 | Very low | 44.4 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 86% | 0.858 | 82% | 0.815 | S | S | * | * | trans | -167.1 | 120.5 | 158.9 | -103.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 241 | S | 40.6 | Very low | 45.7 | Very low | 102 Ų | 102 | 149.8 Ų | 149.8 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | trans | -70.9 | 149.1 | 178.9 | -50.9 | 0 | 0 | 0 | 0 | 112.5 | I243 | S241-I243 VanDerWaalsContact C-N 3.34Å; S241-I243 PolarHBondContact O-N 3.48Å | ||
| 242 | P | 48.9 | Very low | 46.1 | Very low | 131 Ų | 131 | 147.3 Ų | 147.3 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -74.7 | 80.2 | 177.6 | 31.4 | -35.8 | 0 | 0 | 0 | 112 | M244 | P242-M244 PolarHBondContact O-N 3.25Š| ||
| 243 | I | 40.2 | Very low | 47 | Very low | 142 Ų | 142 | 147.5 Ų | 147.5 | 73% | 0.728 | 81% | 0.81 | S | S | * | * | trans | -70.7 | 119.3 | 173 | -64.7 | 179.7 | 0 | 0 | 0 | 109.7 | S241 R245 | S241-I243 VanDerWaalsContact C-N 3.34Å; S241-I243 PolarHBondContact O-N 3.48Å; I243-R245 HydrophobicContact CG2-CG 4.3Å; I243-R245 PolarHBondContact O-N 3.46Å | ||
| 244 | M | 52.6 | Low | 47.9 | Very low | 173 Ų | 173 | 147.3 Ų | 147.3 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | trans | -68.7 | 106 | 177 | -64.4 | -137.5 | 82 | 0 | 0 | 112.1 | P242 | P242-M244 PolarHBondContact O-N 3.25Š| ||
| 245 | R | 49.4 | Very low | 48.4 | Very low | 216 Ų | 216 | 150 Ų | 150 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | trans | -125.9 | 121.9 | 165.4 | -68.8 | -72 | 86.7 | 164.5 | 3.8 | 109.5 | I243 | I243-R245 HydrophobicContact CG2-CG 4.3Å; I243-R245 PolarHBondContact O-N 3.46Å | ||
| 246 | R | 61.3 | Low | 49.6 | Very low | 256 Ų | 256 | 147.1 Ų | 147.1 | 97% | 0.966 | 81% | 0.808 | S | S | * | * | trans | -64.6 | 137.4 | 168 | -65.9 | 175.1 | 177.1 | 161.6 | -3 | 109 | ||||
| 247 | S | 44.3 | Very low | 50.2 | Low | 106 Ų | 106 | 147.6 Ų | 147.6 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | trans | -142.5 | 90.5 | 155.9 | -169.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 248 | G | 57.1 | Low | 50.9 | Low | 78 Ų | 78 | 146.6 Ų | 146.6 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -92.3 | 114.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 249 | R | 57.4 | Low | 51.9 | Low | 216 Ų | 216 | 147.1 Ų | 147.1 | 82% | 0.815 | 80% | 0.8 | S | S | * | * | trans | -156.1 | 124 | 166.6 | -121.5 | -173.5 | -66 | -130.1 | 4.2 | 110.9 | ||||
| 250 | Y | 45.3 | Very low | 52.9 | Low | 225 Ų | 225 | 150.3 Ų | 150.3 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | 55.3 | 119.7 | 168.8 | -91.2 | -102.5 | 0 | 0 | 0 | 118.7 | ||||
| 251 | M | 60 | Low | 54.3 | Low | 169 Ų | 169 | 148.8 Ų | 148.8 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | trans | -79.2 | 116.9 | 166.8 | -59.7 | -93.1 | 61.8 | 0 | 0 | 108.7 | ||||
| 252 | S | 47.5 | Very low | 55.6 | Low | 114 Ų | 114 | 146.2 Ų | 146.2 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -100.6 | 111.5 | 165.3 | -167 | 0 | 0 | 0 | 0 | 108.6 | G254 | S252-G254 PolarHBondContact O-N 2.94Š| ||
| 253 | C | 56.2 | Low | 56.4 | Low | 130 Ų | 130 | 144.4 Ų | 144.4 | 88% | 0.878 | 75% | 0.754 | S | S | * | * | trans | -81.3 | 83.7 | -177.4 | -62.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 254 | G | 55.9 | Low | 57.7 | Low | 62 Ų | 62 | 142.5 Ų | 142.5 | 64% | 0.639 | 75% | 0.75 | S | S | * | * | trans | -149.5 | -9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 118 | S252 | S252-G254 PolarHBondContact O-N 2.94Š| ||
| 255 | E | 52.8 | Low | 58.4 | Low | 160 Ų | 160 | 138.8 Ų | 138.8 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | -109.2 | 43 | -169.7 | -157.8 | 59.6 | -110.5 | 0 | 0 | 113.7 | H257 | E255-H257 PolarHBondContact O-N 3.34Š| ||
| 256 | N | 60.3 | Low | 59.5 | Low | 145 Ų | 145 | 135.1 Ų | 135.1 | 78% | 0.775 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 89.4 | 168.7 | -70.4 | -49.8 | 0 | 0 | 0 | 109 | ||
| 257 | H | 58.7 | Low | 60.1 | Low | 197 Ų | 197 | 130.4 Ų | 130.4 | 91% | 0.912 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 171.1 | 13.6 | 149.7 | -80.5 | -36.2 | 0 | 0 | 0 | 113.8 | E255 | E255-H257 PolarHBondContact O-N 3.34Š|
| 258 | G | 56 | Low | 61.9 | Low | 59 Ų | 59 | 128.1 Ų | 128.1 | 61% | 0.608 | 69% | 0.685 | S | S | * | * | trans | -101.2 | -10.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | R260 | G258-R260 PolarHBondContact O-N 2.85Š| ||
| 259 | V | 60.4 | Low | 63.5 | Low | 125 Ų | 125 | 127.8 Ų | 127.8 | 76% | 0.758 | 67% | 0.668 | S | S | * | * | trans | -76.7 | 92.5 | -175.7 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 260 | R | 66.8 | Low | 65 | Low | 223 Ų | 223 | 122.2 Ų | 122.2 | 84% | 0.842 | 66% | 0.66 | S | S | * | * | trans | -44.8 | 130.4 | 161.7 | 176.1 | -179 | 178.6 | 170.2 | 1.7 | 108.1 | G258 P262 | G258-R260 PolarHBondContact O-N 2.85Å; R260-P262 WeakPolarHBondContact O-CD 3.45Å | ||
| 261 | P | 67.9 | Low | 67.3 | Low | 95 Ų | 95 | 118 Ų | 118 | 62% | 0.617 | 65% | 0.652 | S | S | * | * | trans | -49.1 | 127.4 | 178.3 | -29.1 | 35.2 | 0 | 0 | 0 | 110.2 | N263 | P261-N263 PolarHBondContact O-N 3.46Š| ||
| 262 | P | 68.6 | Low | 68.9 | Low | 48 Ų | 48 | 114.1 Ų | 114.1 | 31% | 0.312 | 63% | 0.632 | S | S | . | * | trans | -42.7 | 141.1 | 172.3 | -31.2 | 32.3 | 0 | 0 | 0 | 111.4 | R260 Q266 Y267 | R260-P262 WeakPolarHBondContact O-CD 3.45Å; P262-Q266 HydrophobicContact CB-CB 3.82Å; P262-Y267 HydrophobicContact CB-CD2 4.24Å; P262-Y267 HydrophobicContact CB-CE2 3.85Å; P262-Y267 WeakPolarHBondContact CD-OH 3.4Å; P262-Y267 HydrophobicContact CG-CE1 4.42Å; P262-Y267 HydrophobicContact CG-CE2 4.34Å; P262-Y267 VanDerWaalsContact O-CE2 3.27Å; P262-Y267 WeakPolarHBondContact O-CE2 3.25Å | ||
| 263 | N | 65.9 | Low | 71 | Confident | 94 Ų | 94 | 112.3 Ų | 112.3 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | trans | -52.5 | 133.9 | 173.4 | -179.9 | -12.8 | 0 | 0 | 0 | 107.5 | P261 E265 Q266 | P261-N263 PolarHBondContact O-N 3.46Å; N263-E265 PolarHBondContact O-N 2.88Å; N263-Q266 HydrophobicContact CB-CG 4.25Å; N263-Q266 WeakPolarHBondContact O-CA 3.47Å; N263-Q266 VanDerWaalsContact O-CB 3.29Å; N263-Q266 WeakPolarHBondContact O-CB 3.48Å; N263-Q266 PolarHBondContact O-N 3.24Å | ||
| 264 | P | 67.1 | Low | 72.8 | Confident | 101 Ų | 101 | 113 Ų | 113 | 66% | 0.656 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -43.2 | -34.6 | -174 | 5.6 | -25.2 | 0 | 0 | 0 | 115.8 | Q266 Y267 | P264-Q266 VanDerWaalsContact C-N 3.29Å; P264-Q266 PolarHBondContact O-N 3.48Å; P264-Y267 PolarHBondContact O-N 2.91Å |
| 265 | E | 67.4 | Low | 74.6 | Confident | 95 Ų | 95 | 114.6 Ų | 114.6 | 44% | 0.444 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -63.5 | -26.2 | 174.9 | -60.5 | -172.7 | -167.8 | 0 | 0 | 114.8 | N263 Y267 L268 Q273 | N263-E265 PolarHBondContact O-N 2.88Å; E265-Y267 VanDerWaalsContact C-N 3.31Å; E265-L268 WeakPolarHBondContact O-CB 3.43Å; E265-L268 PolarHBondContact O-N 2.86Å; E265-Q273 HydrophobicContact CB-CG 4.31Å; E265-Q273 PolarHBondContact OE2-NE2 3.2Å |
| 266 | Q | 72.6 | Confident | 76.6 | Confident | 140 Ų | 140 | 110.3 Ų | 110.3 | 65% | 0.654 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -78 | -12.4 | 178.8 | -62 | 178.4 | -53.8 | 0 | 0 | 113.4 | P262 N263 P264 L268 | P262-Q266 HydrophobicContact CB-CB 3.82Å; N263-Q266 HydrophobicContact CB-CG 4.25Å; N263-Q266 WeakPolarHBondContact O-CA 3.47Å; N263-Q266 VanDerWaalsContact O-CB 3.29Å; N263-Q266 WeakPolarHBondContact O-CB 3.48Å; N263-Q266 PolarHBondContact O-N 3.24Å; P264-Q266 VanDerWaalsContact C-N 3.29Å; P264-Q266 PolarHBondContact O-N 3.48Å; Q266-L268 VanDerWaalsContact C-N 3.34Å |
| 267 | Y | 72.8 | Confident | 78.3 | Confident | 156 Ų | 156 | 106.7 Ų | 106.7 | 61% | 0.612 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -85 | -10.9 | 166.8 | -66 | -80.9 | 0 | 0 | 0 | 112.5 | P262 P264 E265 | P262-Y267 HydrophobicContact CB-CD2 4.24Å; P262-Y267 HydrophobicContact CB-CE2 3.85Å; P262-Y267 WeakPolarHBondContact CD-OH 3.4Å; P262-Y267 HydrophobicContact CG-CE1 4.42Å; P262-Y267 HydrophobicContact CG-CE2 4.34Å; P262-Y267 VanDerWaalsContact O-CE2 3.27Å; P262-Y267 WeakPolarHBondContact O-CE2 3.25Å; P264-Y267 PolarHBondContact O-N 2.91Å; E265-Y267 VanDerWaalsContact C-N 3.31Å |
| 268 | L | 82.6 | Confident | 80.1 | Confident | 58 Ų | 58 | 101.7 Ų | 101.7 | 30% | 0.304 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -85.8 | 140.8 | 175.2 | -57 | -178.3 | 0 | 0 | 0 | 109.7 | E265 Q266 Q272 Q273 V276 | E265-L268 WeakPolarHBondContact O-CB 3.43Å; E265-L268 PolarHBondContact O-N 2.86Å; Q266-L268 VanDerWaalsContact C-N 3.34Å; L268-Q272 HydrophobicContact CB-CB 3.84Å; L268-Q272 HydrophobicContact CD2-CB 4.22Å; L268-Q272 HydrophobicContact CG-CB 4.43Å; L268-Q273 HydrophobicContact CB-CB 4.34Å; L268-V276 HydrophobicContact CD1-CG2 4.02Å |
| 269 | T | 90.6 | Very high | 82.1 | Confident | 71 Ų | 71 | 104.9 Ų | 104.9 | 44% | 0.436 | 53% | 0.534 | S | S | . | . | trans | -60.2 | 154 | 164 | 59.6 | 0 | 0 | 0 | 0 | 110.1 | L271 Q272 Q273 | T269-L271 PolarHBondContact O-N 2.84Å; T269-Q272 PolarHBondContact O-N 3.44Å; T269-Q272 WeakPolarHBondContact OG1-CG 3.25Å; T269-Q272 PolarHBondContact OG1-N 3.15Å; T269-Q272 PolarHBondContact OG1-OE1 2.97Å; T269-Q273 PolarHBondContact O-N 3.31Å | ||
| 270 | P | 90.3 | Very high | 83.8 | Confident | 100 Ų | 100 | 103.9 Ų | 103.9 | 65% | 0.649 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -56.9 | -19.8 | 176.1 | -27.8 | 36 | 0 | 0 | 0 | 114.5 | K274 | P270-K274 WeakPolarHBondContact O-CB 3.26Å; P270-K274 WeakPolarHBondContact O-CD 3.31Å; P270-K274 VanDerWaalsContact O-CG 3.25Å; P270-K274 WeakPolarHBondContact O-CG 3.3Å; P270-K274 PolarHBondContact O-N 2.96Å |
| 271 | L | 92.3 | Very high | 85.3 | Confident | 137 Ų | 137 | 98.1 Ų | 98.1 | 72% | 0.717 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -75.4 | -48 | 170.9 | -178.2 | 59.9 | 0 | 0 | 0 | 111.8 | T269 K274 E275 | T269-L271 PolarHBondContact O-N 2.84Å; L271-K274 PolarHBondContact O-N 3.4Å; L271-E275 WeakPolarHBondContact O-CB 3.47Å; L271-E275 PolarHBondContact O-N 2.95Å |
| 272 | Q | 93.9 | Very high | 86.8 | Confident | 87 Ų | 87 | 100.1 Ų | 100.1 | 41% | 0.407 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 176.5 | -74.2 | 162.3 | -50.8 | 0 | 0 | 112.3 | L268 T269 E275 V276 | L268-Q272 HydrophobicContact CB-CB 3.84Å; L268-Q272 HydrophobicContact CD2-CB 4.22Å; L268-Q272 HydrophobicContact CG-CB 4.43Å; T269-Q272 PolarHBondContact O-N 3.44Å; T269-Q272 WeakPolarHBondContact OG1-CG 3.25Å; T269-Q272 PolarHBondContact OG1-N 3.15Å; T269-Q272 PolarHBondContact OG1-OE1 2.97Å; Q272-E275 PolarHBondContact O-N 2.81Å; Q272-V276 WeakPolarHBondContact O-CG2 3.43Å; Q272-V276 PolarHBondContact O-N 2.91Å |
| 273 | Q | 91.7 | Very high | 88.2 | Confident | 76 Ų | 76 | 102.2 Ų | 102.2 | 36% | 0.355 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.1 | -47.8 | 175.3 | -165.3 | -172.7 | 17.5 | 0 | 0 | 110.4 | E265 L268 T269 E275 V276 T277 | E265-Q273 HydrophobicContact CB-CG 4.31Å; E265-Q273 PolarHBondContact OE2-NE2 3.2Å; L268-Q273 HydrophobicContact CB-CB 4.34Å; T269-Q273 PolarHBondContact O-N 3.31Å; Q273-E275 VanDerWaalsContact C-N 3.32Å; Q273-E275 PolarHBondContact O-N 3.39Å; Q273-V276 PolarHBondContact O-N 3.31Å; Q273-T277 PolarHBondContact O-N 3.05Å; Q273-T277 PolarHBondContact O-OG1 3.3Å |
| 274 | K | 93.4 | Very high | 89.8 | Confident | 144 Ų | 144 | 103.3 Ų | 103.3 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.1 | -42.7 | 172.6 | -77.7 | 175.7 | 179.8 | -176.9 | 0 | 112.4 | P270 L271 T277 V278 | P270-K274 WeakPolarHBondContact O-CB 3.26Å; P270-K274 WeakPolarHBondContact O-CD 3.31Å; P270-K274 VanDerWaalsContact O-CG 3.25Å; P270-K274 WeakPolarHBondContact O-CG 3.3Å; P270-K274 PolarHBondContact O-N 2.96Å; L271-K274 PolarHBondContact O-N 3.4Å; K274-T277 PolarHBondContact O-N 2.9Å; K274-V278 WeakPolarHBondContact O-CB 3.32Å; K274-V278 VanDerWaalsContact O-CG2 3.3Å; K274-V278 WeakPolarHBondContact O-CG2 3.39Å; K274-V278 PolarHBondContact O-N 3.47Å |
| 275 | E | 95.4 | Very high | 91.3 | Very high | 96 Ų | 96 | 104 Ų | 104 | 45% | 0.449 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 179.4 | -159.5 | -158.1 | -162.6 | 0 | 0 | 112 | L271 Q272 Q273 V278 R279 | L271-E275 WeakPolarHBondContact O-CB 3.47Å; L271-E275 PolarHBondContact O-N 2.95Å; Q272-E275 PolarHBondContact O-N 2.81Å; Q273-E275 VanDerWaalsContact C-N 3.32Å; Q273-E275 PolarHBondContact O-N 3.39Å; E275-V278 PolarHBondContact O-N 3.12Å; E275-R279 WeakPolarHBondContact O-CG 3.19Å; E275-R279 PolarHBondContact O-N 3.39Å; E275-R279 IonicContact OE1-CZ 2.67Å; E275-R279 IonicContact OE1-NH1 3.15Å; E275-R279 IonicContact OE1-NH2 3.73Å; E275-R279 PolarHBondContact OE1-NH2 3.04Å; E275-R279 IonicContact OE2-CZ 3.32Å; E275-R279 IonicContact OE2-NH1 3.18Å; E275-R279 PolarHBondContact OE2-NH1 3.07Å; E275-R279 IonicContact OE2-NH2 2.82Å; E275-R279 PolarHBondContact OE2-NH2 3Å |
| 276 | V | 94.8 | Very high | 92.8 | Very high | 70 Ų | 70 | 104.8 Ų | 104.8 | 42% | 0.424 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 172.5 | 171.7 | 0 | 0 | 0 | 0 | 111 | L268 Q272 Q273 V278 R279 H280 | L268-V276 HydrophobicContact CD1-CG2 4.02Å; Q272-V276 WeakPolarHBondContact O-CG2 3.43Å; Q272-V276 PolarHBondContact O-N 2.91Å; Q273-V276 PolarHBondContact O-N 3.31Å; V276-V278 VanDerWaalsContact C-N 3.34Å; V276-V278 PolarHBondContact O-N 3.42Å; V276-R279 PolarHBondContact O-N 2.84Å; V276-H280 PolarHBondContact O-N 3.12Å |
| 277 | T | 94.7 | Very high | 94 | Very high | 68 Ų | 68 | 101.1 Ų | 101.1 | 42% | 0.417 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 174.2 | -50.4 | 0 | 0 | 0 | 0 | 111.6 | Q273 K274 H280 L281 | Q273-T277 PolarHBondContact O-N 3.05Å; Q273-T277 PolarHBondContact O-OG1 3.3Å; K274-T277 PolarHBondContact O-N 2.9Å; T277-H280 PolarHBondContact O-N 3.36Å; T277-L281 HydrophobicContact CG2-CD1 3.98Å; T277-L281 HydrophobicContact CG2-CG 4.32Å; T277-L281 WeakPolarHBondContact O-CB 3.35Å; T277-L281 VanDerWaalsContact O-CG 3.32Å; T277-L281 WeakPolarHBondContact O-CG 3.46Å; T277-L281 PolarHBondContact O-N 3.4Å |
| 278 | V | 97.1 | Very high | 95.2 | Very high | 93 Ų | 93 | 96.8 Ų | 96.8 | 56% | 0.564 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.3 | -42.1 | 177 | 167.2 | 0 | 0 | 0 | 0 | 111.5 | K274 E275 V276 L281 K282 | K274-V278 WeakPolarHBondContact O-CB 3.32Å; K274-V278 VanDerWaalsContact O-CG2 3.3Å; K274-V278 WeakPolarHBondContact O-CG2 3.39Å; K274-V278 PolarHBondContact O-N 3.47Å; E275-V278 PolarHBondContact O-N 3.12Å; V276-V278 VanDerWaalsContact C-N 3.34Å; V276-V278 PolarHBondContact O-N 3.42Å; V278-L281 PolarHBondContact O-N 2.91Å; V278-K282 VanDerWaalsContact O-CB 3.23Å; V278-K282 WeakPolarHBondContact O-CB 3.46Å; V278-K282 PolarHBondContact O-N 3Å |
| 279 | R | 96.9 | Very high | 96 | Very high | 126 Ų | 126 | 99.6 Ų | 99.6 | 48% | 0.475 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59 | -47 | 172.2 | -72.7 | -175.7 | -172.6 | 95.6 | -1.3 | 111.4 | E275 V276 K282 T283 | E275-R279 WeakPolarHBondContact O-CG 3.19Å; E275-R279 PolarHBondContact O-N 3.39Å; E275-R279 IonicContact OE1-CZ 2.67Å; E275-R279 IonicContact OE1-NH1 3.15Å; E275-R279 IonicContact OE1-NH2 3.73Å; E275-R279 PolarHBondContact OE1-NH2 3.04Å; E275-R279 IonicContact OE2-CZ 3.32Å; E275-R279 IonicContact OE2-NH1 3.18Å; E275-R279 PolarHBondContact OE2-NH1 3.07Å; E275-R279 IonicContact OE2-NH2 2.82Å; E275-R279 PolarHBondContact OE2-NH2 3Å; V276-R279 PolarHBondContact O-N 2.84Å; R279-K282 PolarHBondContact O-N 3.49Å; R279-T283 PolarHBondContact O-N 2.91Å; R279-T283 PolarHBondContact O-OG1 2.89Å; R279-T283 VanDerWaalsContact O-OG1 3.09Å |
| 280 | H | 97.8 | Very high | 96.4 | Very high | 104 Ų | 104 | 102.7 Ų | 102.7 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 179.2 | -176.3 | 51 | 0 | 0 | 0 | 112.6 | V276 T277 T283 K284 | V276-H280 PolarHBondContact O-N 3.12Å; T277-H280 PolarHBondContact O-N 3.36Å; H280-T283 PolarHBondContact O-N 3.25Å; H280-K284 WeakPolarHBondContact NE2-CE 3.36Å; H280-K284 PolarHBondContact NE2-NZ 3.24Å; H280-K284 PolarHBondContact O-N 2.72Å |
| 281 | L | 98.6 | Very high | 96.8 | Very high | 102 Ų | 102 | 104.1 Ų | 104.1 | 53% | 0.534 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 176.5 | -70 | 174.8 | 0 | 0 | 0 | 111.8 | T277 V278 T283 K284 L285 | T277-L281 HydrophobicContact CG2-CD1 3.98Å; T277-L281 HydrophobicContact CG2-CG 4.32Å; T277-L281 WeakPolarHBondContact O-CB 3.35Å; T277-L281 VanDerWaalsContact O-CG 3.32Å; T277-L281 WeakPolarHBondContact O-CG 3.46Å; T277-L281 PolarHBondContact O-N 3.4Å; V278-L281 PolarHBondContact O-N 2.91Å; L281-T283 PolarHBondContact O-N 3.02Å; L281-K284 PolarHBondContact O-N 3.07Å; L281-L285 WeakPolarHBondContact O-CB 3.39Å; L281-L285 PolarHBondContact O-N 3.29Å |
| 282 | K | 98.3 | Very high | 97.1 | Very high | 137 Ų | 137 | 102.3 Ų | 102.3 | 60% | 0.596 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64 | -38.9 | 175.1 | -172.3 | 170.6 | -175.7 | 171.4 | 0 | 112.2 | V278 R279 K286 | V278-K282 VanDerWaalsContact O-CB 3.23Å; V278-K282 WeakPolarHBondContact O-CB 3.46Å; V278-K282 PolarHBondContact O-N 3Å; R279-K282 PolarHBondContact O-N 3.49Å; K282-K286 WeakPolarHBondContact O-CG 3.29Å; K282-K286 PolarHBondContact O-N 3.31Å; K282-K286 VanDerWaalsContact O-N 3.13Å |
| 283 | T | 98.4 | Very high | 97.3 | Very high | 91 Ų | 91 | 104 Ų | 104 | 56% | 0.558 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.6 | -42.2 | 173.8 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | R279 H280 L281 K286 E287 | R279-T283 PolarHBondContact O-N 2.91Å; R279-T283 PolarHBondContact O-OG1 2.89Å; R279-T283 VanDerWaalsContact O-OG1 3.09Å; H280-T283 PolarHBondContact O-N 3.25Å; L281-T283 PolarHBondContact O-N 3.02Å; T283-K286 PolarHBondContact O-N 2.83Å; T283-E287 WeakPolarHBondContact O-CB 3.41Å; T283-E287 PolarHBondContact O-N 2.96Å |
| 284 | K | 98.5 | Very high | 97.6 | Very high | 118 Ų | 118 | 106 Ų | 106 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 173.8 | -82.4 | -178.8 | 166.5 | -179.9 | 0 | 112.5 | H280 L281 E287 S288 | H280-K284 WeakPolarHBondContact NE2-CE 3.36Å; H280-K284 PolarHBondContact NE2-NZ 3.24Å; H280-K284 PolarHBondContact O-N 2.72Å; L281-K284 PolarHBondContact O-N 3.07Å; K284-E287 WeakPolarHBondContact O-CB 3.36Å; K284-E287 PolarHBondContact O-N 3.21Å; K284-E287 VanDerWaalsContact O-N 3.14Å; K284-S288 PolarHBondContact O-N 3.42Å; K284-S288 PolarHBondContact O-OG 2.84Å; K284-S288 VanDerWaalsContact O-OG 3.13Å |
| 285 | L | 98.7 | Very high | 97.9 | Very high | 115 Ų | 115 | 105.6 Ų | 105.6 | 60% | 0.602 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.8 | -49.2 | 177.4 | -179.9 | 61 | 0 | 0 | 0 | 111 | L281 E287 S288 E289 | L281-L285 WeakPolarHBondContact O-CB 3.39Å; L281-L285 PolarHBondContact O-N 3.29Å; L285-E287 PolarHBondContact O-N 2.83Å; L285-S288 WeakPolarHBondContact CA-OG 3.08Å; L285-S288 PolarHBondContact O-N 3.46Å; L285-S288 PolarHBondContact O-OG 3.27Å; L285-E289 VanDerWaalsContact O-CB 3.29Å; L285-E289 WeakPolarHBondContact O-CB 3.44Å; L285-E289 PolarHBondContact O-N 3.14Å |
| 286 | K | 98.7 | Very high | 98 | Very high | 112 Ų | 112 | 105.6 Ų | 105.6 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -27 | 175.1 | -74 | -161.8 | 166.2 | -148.7 | 0 | 114 | K282 T283 E289 R290 | K282-K286 WeakPolarHBondContact O-CG 3.29Å; K282-K286 PolarHBondContact O-N 3.31Å; K282-K286 VanDerWaalsContact O-N 3.13Å; T283-K286 PolarHBondContact O-N 2.83Å; K286-E289 WeakPolarHBondContact CA-OE2 3.29Å; K286-R290 WeakPolarHBondContact O-CG 3.27Å; K286-R290 VanDerWaalsContact O-CZ 3.32Å; K286-R290 PolarHBondContact O-N 3.47Å; K286-R290 PolarHBondContact O-NH1 3.44Å |
| 287 | E | 98.5 | Very high | 98.2 | Very high | 63 Ų | 63 | 105.7 Ų | 105.7 | 29% | 0.294 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -77.4 | -40.3 | 175 | 177.9 | 63.1 | -173.2 | 0 | 0 | 111.8 | T283 K284 L285 R290 R291 | T283-E287 WeakPolarHBondContact O-CB 3.41Å; T283-E287 PolarHBondContact O-N 2.96Å; K284-E287 WeakPolarHBondContact O-CB 3.36Å; K284-E287 PolarHBondContact O-N 3.21Å; K284-E287 VanDerWaalsContact O-N 3.14Å; L285-E287 PolarHBondContact O-N 2.83Å; E287-R290 IonicContact OE2-CZ 2.67Å; E287-R290 IonicContact OE2-NE 3.4Å; E287-R290 PolarHBondContact OE2-NE 3.45Å; E287-R290 IonicContact OE2-NH2 2.72Å; E287-R290 PolarHBondContact OE2-NH2 2.95Å; E287-R291 VanDerWaalsContact O-CG 3.26Å; E287-R291 WeakPolarHBondContact O-CG 3.36Å; E287-R291 PolarHBondContact O-N 3.22Å; E287-R291 VanDerWaalsContact O-N 3.13Å; E287-R291 IonicContact OE1-CZ 3.56Å; E287-R291 IonicContact OE1-NE 3.83Å; E287-R291 PolarHBondContact OE1-NE 2.67Å; E287-R291 IonicContact OE1-NH2 3.44Å; E287-R291 PolarHBondContact OE1-NH2 3.26Å |
| 288 | S | 98.4 | Very high | 98.4 | Very high | 64 Ų | 64 | 107.4 Ų | 107.4 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.1 | -37.5 | 170.8 | 42.5 | 0 | 0 | 0 | 0 | 112.8 | K284 L285 R291 L292 | K284-S288 PolarHBondContact O-N 3.42Å; K284-S288 PolarHBondContact O-OG 2.84Å; K284-S288 VanDerWaalsContact O-OG 3.13Å; L285-S288 WeakPolarHBondContact CA-OG 3.08Å; L285-S288 PolarHBondContact O-N 3.46Å; L285-S288 PolarHBondContact O-OG 3.27Å; S288-R291 PolarHBondContact O-N 3.07Å; S288-L292 WeakPolarHBondContact O-CB 3.3Å; S288-L292 PolarHBondContact O-N 3.09Å |
| 289 | E | 98.6 | Very high | 98.5 | Very high | 118 Ų | 118 | 107.1 Ų | 107.1 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.1 | -49.6 | 174.9 | -178.2 | -179.1 | -151.5 | 0 | 0 | 111 | L285 K286 R291 L292 H293 | L285-E289 VanDerWaalsContact O-CB 3.29Å; L285-E289 WeakPolarHBondContact O-CB 3.44Å; L285-E289 PolarHBondContact O-N 3.14Å; K286-E289 WeakPolarHBondContact CA-OE2 3.29Å; E289-R291 PolarHBondContact O-N 3.48Å; E289-L292 PolarHBondContact O-N 3.03Å; E289-H293 PolarHBondContact O-N 3.29Å |
| 290 | R | 98.5 | Very high | 98.6 | Very high | 135 Ų | 135 | 105.9 Ų | 105.9 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.9 | -47.2 | 173.3 | -78.2 | -173.3 | -64.8 | -88.4 | 6.4 | 113.1 | K286 E287 L292 H293 E294 | K286-R290 WeakPolarHBondContact O-CG 3.27Å; K286-R290 VanDerWaalsContact O-CZ 3.32Å; K286-R290 PolarHBondContact O-N 3.47Å; K286-R290 PolarHBondContact O-NH1 3.44Å; E287-R290 IonicContact OE2-CZ 2.67Å; E287-R290 IonicContact OE2-NE 3.4Å; E287-R290 PolarHBondContact OE2-NE 3.45Å; E287-R290 IonicContact OE2-NH2 2.72Å; E287-R290 PolarHBondContact OE2-NH2 2.95Å; R290-L292 VanDerWaalsContact C-N 3.26Å; R290-L292 PolarHBondContact O-N 3.49Å; R290-H293 PolarHBondContact O-N 3.47Å; R290-E294 WeakPolarHBondContact O-CB 3.44Å; R290-E294 PolarHBondContact O-N 2.8Å |
| 291 | R | 98.7 | Very high | 98.6 | Very high | 130 Ų | 130 | 107 Ų | 107 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.3 | -21.7 | -179.3 | -69.7 | 172.4 | -170.3 | -168 | 3 | 113.9 | E287 S288 E289 R295 | E287-R291 VanDerWaalsContact O-CG 3.26Å; E287-R291 WeakPolarHBondContact O-CG 3.36Å; E287-R291 PolarHBondContact O-N 3.22Å; E287-R291 VanDerWaalsContact O-N 3.13Å; E287-R291 IonicContact OE1-CZ 3.56Å; E287-R291 IonicContact OE1-NE 3.83Å; E287-R291 PolarHBondContact OE1-NE 2.67Å; E287-R291 IonicContact OE1-NH2 3.44Å; E287-R291 PolarHBondContact OE1-NH2 3.26Å; S288-R291 PolarHBondContact O-N 3.07Å; E289-R291 PolarHBondContact O-N 3.48Å; R291-R295 PolarHBondContact O-NH1 3.05Å |
| 292 | L | 98.7 | Very high | 98.6 | Very high | 99 Ų | 99 | 106.5 Ų | 106.5 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -76.3 | -49.9 | 171.1 | -178.9 | 146.8 | 0 | 0 | 0 | 109.1 | S288 E289 R290 E294 R295 E296 | S288-L292 WeakPolarHBondContact O-CB 3.3Å; S288-L292 PolarHBondContact O-N 3.09Å; E289-L292 PolarHBondContact O-N 3.03Å; R290-L292 VanDerWaalsContact C-N 3.26Å; R290-L292 PolarHBondContact O-N 3.49Å; L292-E294 VanDerWaalsContact C-N 3.33Å; L292-E294 PolarHBondContact O-N 2.85Å; L292-R295 CarbonylContact O-C 3.58Å; L292-R295 WeakPolarHBondContact O-CA 3.34Å; L292-R295 WeakPolarHBondContact O-CB 3.32Å; L292-R295 PolarHBondContact O-N 3.21Å; L292-E296 HydrophobicContact CD2-CG 4.11Å; L292-E296 WeakPolarHBondContact CD2-OE1 3.39Å; L292-E296 WeakPolarHBondContact O-CG 3.29Å; L292-E296 PolarHBondContact O-N 3.44Å |
| 293 | H | 98.7 | Very high | 98.7 | Very high | 124 Ų | 124 | 106.5 Ų | 106.5 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.1 | -35.1 | 179.1 | -162.6 | 54.6 | 0 | 0 | 0 | 113.7 | E289 R290 R295 E296 S297 | E289-H293 PolarHBondContact O-N 3.29Å; R290-H293 PolarHBondContact O-N 3.47Å; H293-R295 VanDerWaalsContact C-N 3.34Å; H293-R295 PolarHBondContact O-N 3.03Å; H293-E296 WeakPolarHBondContact CA-OE2 3.39Å; H293-E296 IonicContact CE1-OE2 3.88Å; H293-E296 IonicContact CG-OE2 3.58Å; H293-E296 IonicContact ND1-OE2 3.48Å; H293-E296 PolarHBondContact ND1-OE2 3.31Å; H293-E296 WeakPolarHBondContact O-CB 3.44Å; H293-E296 PolarHBondContact O-N 2.89Å; H293-S297 PolarHBondContact O-N 3.25Å |
| 294 | E | 98.6 | Very high | 98.7 | Very high | 118 Ų | 118 | 104.6 Ų | 104.6 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -54.7 | -47.8 | 168.8 | -178.6 | 178.7 | -133.8 | 0 | 0 | 111.2 | R290 L292 S297 E298 | R290-E294 WeakPolarHBondContact O-CB 3.44Å; R290-E294 PolarHBondContact O-N 2.8Å; L292-E294 VanDerWaalsContact C-N 3.33Å; L292-E294 PolarHBondContact O-N 2.85Å; E294-S297 PolarHBondContact O-N 3.03Å; E294-S297 PolarHBondContact O-OG 2.94Å; E294-E298 PolarHBondContact O-N 3.18Å |
| 295 | R | 98.8 | Very high | 98.7 | Very high | 135 Ų | 135 | 102.8 Ų | 102.8 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.4 | -34.6 | 175.7 | -76.5 | 172 | 178.9 | 64.7 | 12.6 | 113.4 | R291 L292 H293 S297 E298 I299 | R291-R295 PolarHBondContact O-NH1 3.05Å; L292-R295 CarbonylContact O-C 3.58Å; L292-R295 WeakPolarHBondContact O-CA 3.34Å; L292-R295 WeakPolarHBondContact O-CB 3.32Å; L292-R295 PolarHBondContact O-N 3.21Å; H293-R295 VanDerWaalsContact C-N 3.34Å; H293-R295 PolarHBondContact O-N 3.03Å; R295-S297 VanDerWaalsContact C-N 3.29Å; R295-S297 PolarHBondContact O-N 3.45Å; R295-E298 PolarHBondContact O-N 3.34Å; R295-I299 VanDerWaalsContact O-CB 3.31Å; R295-I299 WeakPolarHBondContact O-CB 3.34Å; R295-I299 WeakPolarHBondContact O-CD1 3.32Å; R295-I299 WeakPolarHBondContact O-CG1 3.46Å; R295-I299 PolarHBondContact O-N 3.32Å |
| 296 | E | 98.8 | Very high | 98.7 | Very high | 96 Ų | 96 | 101.3 Ų | 101.3 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 172.2 | -68.2 | 175.5 | 149.3 | 0 | 0 | 110.5 | L292 H293 I299 V300 | L292-E296 HydrophobicContact CD2-CG 4.11Å; L292-E296 WeakPolarHBondContact CD2-OE1 3.39Å; L292-E296 WeakPolarHBondContact O-CG 3.29Å; L292-E296 PolarHBondContact O-N 3.44Å; H293-E296 WeakPolarHBondContact CA-OE2 3.39Å; H293-E296 IonicContact CE1-OE2 3.88Å; H293-E296 IonicContact CG-OE2 3.58Å; H293-E296 IonicContact ND1-OE2 3.48Å; H293-E296 PolarHBondContact ND1-OE2 3.31Å; H293-E296 WeakPolarHBondContact O-CB 3.44Å; H293-E296 PolarHBondContact O-N 2.89Å; E296-I299 PolarHBondContact O-N 2.96Å; E296-V300 WeakPolarHBondContact O-CG2 3.3Å; E296-V300 PolarHBondContact O-N 3.05Å |
| 297 | S | 98.6 | Very high | 98.7 | Very high | 71 Ų | 71 | 97.8 Ų | 97.8 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 176.5 | 73.8 | 0 | 0 | 0 | 0 | 112.7 | H293 E294 R295 I299 V300 E301 | H293-S297 PolarHBondContact O-N 3.25Å; E294-S297 PolarHBondContact O-N 3.03Å; E294-S297 PolarHBondContact O-OG 2.94Å; R295-S297 VanDerWaalsContact C-N 3.29Å; R295-S297 PolarHBondContact O-N 3.45Å; S297-I299 PolarHBondContact O-N 3.42Å; S297-V300 PolarHBondContact O-N 3.32Å; S297-E301 PolarHBondContact O-N 3.09Å |
| 298 | E | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 100.9 Ų | 100.9 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 173.4 | -176.2 | -176.8 | -163.8 | 0 | 0 | 111.5 | E294 R295 V300 E301 L302 | E294-E298 PolarHBondContact O-N 3.18Å; R295-E298 PolarHBondContact O-N 3.34Å; E298-V300 VanDerWaalsContact C-N 3.33Å; E298-V300 PolarHBondContact O-N 2.88Å; E298-E301 PolarHBondContact O-N 3.13Å; E298-L302 HydrophobicContact CG-CD1 3.94Å; E298-L302 HydrophobicContact CG-CG 4.41Å; E298-L302 WeakPolarHBondContact O-CB 3.44Å; E298-L302 VanDerWaalsContact O-CG 3.27Å; E298-L302 WeakPolarHBondContact O-CG 3.4Å; E298-L302 PolarHBondContact O-N 3.27Å |
| 299 | I | 98.7 | Very high | 98.7 | Very high | 87 Ų | 87 | 102.6 Ų | 102.6 | 45% | 0.446 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 176.7 | -72.2 | 164.3 | 0 | 0 | 0 | 111.2 | R295 E296 S297 K303 | R295-I299 VanDerWaalsContact O-CB 3.31Å; R295-I299 WeakPolarHBondContact O-CB 3.34Å; R295-I299 WeakPolarHBondContact O-CD1 3.32Å; R295-I299 WeakPolarHBondContact O-CG1 3.46Å; R295-I299 PolarHBondContact O-N 3.32Å; E296-I299 PolarHBondContact O-N 2.96Å; S297-I299 PolarHBondContact O-N 3.42Å; I299-K303 HydrophobicContact CG2-CD 4.08Å; I299-K303 VanDerWaalsContact O-CB 3.29Å; I299-K303 WeakPolarHBondContact O-CB 3.44Å; I299-K303 WeakPolarHBondContact O-CD 3.24Å; I299-K303 WeakPolarHBondContact O-CG 3.33Å; I299-K303 PolarHBondContact O-N 2.85Å |
| 300 | V | 98.8 | Very high | 98.7 | Very high | 100 Ų | 100 | 102.3 Ų | 102.3 | 61% | 0.606 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69.4 | -43 | 175.1 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | E296 S297 E298 K303 S304 | E296-V300 WeakPolarHBondContact O-CG2 3.3Å; E296-V300 PolarHBondContact O-N 3.05Å; S297-V300 PolarHBondContact O-N 3.32Å; E298-V300 VanDerWaalsContact C-N 3.33Å; E298-V300 PolarHBondContact O-N 2.88Å; V300-K303 PolarHBondContact O-N 2.88Å; V300-S304 PolarHBondContact O-N 3.25Å |
| 301 | E | 98.8 | Very high | 98.7 | Very high | 127 Ų | 127 | 101 Ų | 101 | 59% | 0.593 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.2 | -49 | 175.9 | -175.5 | 173.7 | -170.9 | 0 | 0 | 111.3 | S297 E298 K303 S304 Q305 | S297-E301 PolarHBondContact O-N 3.09Å; E298-E301 PolarHBondContact O-N 3.13Å; E301-K303 VanDerWaalsContact C-N 3.32Å; E301-K303 PolarHBondContact O-N 3.4Å; E301-S304 CarbonylContact O-C 3.57Å; E301-S304 WeakPolarHBondContact O-CA 3.35Å; E301-S304 WeakPolarHBondContact O-CB 3.48Å; E301-S304 PolarHBondContact O-N 2.93Å; E301-S304 PolarHBondContact O-OG 2.94Å; E301-Q305 PolarHBondContact O-N 3.15Å |
| 302 | L | 98.8 | Very high | 98.7 | Very high | 91 Ų | 91 | 99.1 Ų | 99.1 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.6 | -34.8 | 178 | -70.1 | 174.2 | 0 | 0 | 0 | 112.4 | E298 Q305 L306 | E298-L302 HydrophobicContact CG-CD1 3.94Å; E298-L302 HydrophobicContact CG-CG 4.41Å; E298-L302 WeakPolarHBondContact O-CB 3.44Å; E298-L302 VanDerWaalsContact O-CG 3.27Å; E298-L302 WeakPolarHBondContact O-CG 3.4Å; E298-L302 PolarHBondContact O-N 3.27Å; L302-Q305 PolarHBondContact O-N 3.03Å; L302-L306 WeakPolarHBondContact O-CB 3.36Å; L302-L306 PolarHBondContact O-N 3.18Å |
| 303 | K | 98.8 | Very high | 98.7 | Very high | 138 Ų | 138 | 102 Ų | 102 | 60% | 0.6 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.4 | -42.5 | 169.3 | -79.4 | 171.4 | 179.2 | -179.4 | 0 | 111.7 | I299 V300 E301 Q305 L306 A307 | I299-K303 HydrophobicContact CG2-CD 4.08Å; I299-K303 VanDerWaalsContact O-CB 3.29Å; I299-K303 WeakPolarHBondContact O-CB 3.44Å; I299-K303 WeakPolarHBondContact O-CD 3.24Å; I299-K303 WeakPolarHBondContact O-CG 3.33Å; I299-K303 PolarHBondContact O-N 2.85Å; V300-K303 PolarHBondContact O-N 2.88Å; E301-K303 VanDerWaalsContact C-N 3.32Å; E301-K303 PolarHBondContact O-N 3.4Å; K303-Q305 VanDerWaalsContact C-N 3.28Å; K303-Q305 PolarHBondContact O-N 3.17Å; K303-L306 PolarHBondContact O-N 3.46Å; K303-A307 PolarHBondContact O-N 3.37Å |
| 304 | S | 98.7 | Very high | 98.7 | Very high | 51 Ų | 51 | 100.8 Ų | 100.8 | 36% | 0.357 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.9 | -31.5 | 175.6 | 87.7 | 0 | 0 | 0 | 0 | 112.9 | V300 E301 R308 | V300-S304 PolarHBondContact O-N 3.25Å; E301-S304 CarbonylContact O-C 3.57Å; E301-S304 WeakPolarHBondContact O-CA 3.35Å; E301-S304 WeakPolarHBondContact O-CB 3.48Å; E301-S304 PolarHBondContact O-N 2.93Å; E301-S304 PolarHBondContact O-OG 2.94Å; S304-R308 WeakPolarHBondContact O-CG 3.28Å; S304-R308 PolarHBondContact O-N 3.1Å; S304-R308 PolarHBondContact O-NE 3.5Å |
| 305 | Q | 98.9 | Very high | 98.7 | Very high | 80 Ų | 80 | 100.9 Ų | 100.9 | 37% | 0.374 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -75.2 | -42.3 | 175.1 | -177 | 177.8 | -12.5 | 0 | 0 | 111.3 | E301 L302 K303 A307 R308 M309 | E301-Q305 PolarHBondContact O-N 3.15Å; L302-Q305 PolarHBondContact O-N 3.03Å; K303-Q305 VanDerWaalsContact C-N 3.28Å; K303-Q305 PolarHBondContact O-N 3.17Å; Q305-A307 VanDerWaalsContact C-N 3.3Å; Q305-A307 PolarHBondContact O-N 3.09Å; Q305-R308 PolarHBondContact O-N 3.3Å; Q305-M309 HydrophobicContact CG-CG 4.34Å; Q305-M309 HydrophobicContact CG-SD 3.94Å; Q305-M309 WeakPolarHBondContact O-CB 3.4Å; Q305-M309 WeakPolarHBondContact O-CG 3.44Å; Q305-M309 PolarHBondContact O-N 3.32Å |
| 306 | L | 98.8 | Very high | 98.7 | Very high | 84 Ų | 84 | 101.3 Ų | 101.3 | 44% | 0.44 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -34.1 | 176.3 | -179.9 | 61.1 | 0 | 0 | 0 | 112.3 | L302 K303 R310 | L302-L306 WeakPolarHBondContact O-CB 3.36Å; L302-L306 PolarHBondContact O-N 3.18Å; K303-L306 PolarHBondContact O-N 3.46Å; L306-R310 WeakPolarHBondContact O-CD 3.43Å; L306-R310 VanDerWaalsContact O-CG 3.22Å; L306-R310 WeakPolarHBondContact O-CG 3.17Å; L306-R310 PolarHBondContact O-N 2.95Å |
| 307 | A | 98.6 | Very high | 98.7 | Very high | 38 Ų | 38 | 100 Ų | 100 | 31% | 0.314 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60 | -64 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110 | K303 Q305 M309 R310 E311 | K303-A307 PolarHBondContact O-N 3.37Å; Q305-A307 VanDerWaalsContact C-N 3.3Å; Q305-A307 PolarHBondContact O-N 3.09Å; A307-M309 VanDerWaalsContact C-N 3.28Å; A307-M309 PolarHBondContact O-N 3.46Å; A307-M309 VanDerWaalsContact O-N 3.1Å; A307-R310 WeakPolarHBondContact O-CA 3.26Å; A307-R310 VanDerWaalsContact O-CB 3.31Å; A307-R310 WeakPolarHBondContact O-CB 3.35Å; A307-R310 PolarHBondContact O-N 3.33Å; A307-E311 VanDerWaalsContact C-CD 3.49Å; A307-E311 WeakPolarHBondContact CB-OE2 3.49Å; A307-E311 PolarHBondContact O-N 2.96Å; A307-E311 VanDerWaalsContact O-OE1 3.08Å |
| 308 | R | 98.8 | Very high | 98.7 | Very high | 127 Ų | 127 | 99.6 Ų | 99.6 | 48% | 0.479 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -49.6 | -45.8 | 179.5 | -72.8 | 176.7 | -71.1 | 117.8 | -9.9 | 113.3 | S304 Q305 R310 E311 D312 | S304-R308 WeakPolarHBondContact O-CG 3.28Å; S304-R308 PolarHBondContact O-N 3.1Å; S304-R308 PolarHBondContact O-NE 3.5Å; Q305-R308 PolarHBondContact O-N 3.3Å; R308-R310 VanDerWaalsContact C-N 3.26Å; R308-R310 PolarHBondContact O-N 2.89Å; R308-E311 PolarHBondContact N-OE2 3.31Å; R308-E311 PolarHBondContact O-N 3.27Å; R308-D312 WeakPolarHBondContact O-CB 3.37Å; R308-D312 PolarHBondContact O-N 2.85Å |
| 309 | M | 98.8 | Very high | 98.7 | Very high | 100 Ų | 100 | 99.2 Ų | 99.2 | 49% | 0.493 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.3 | -20.7 | 177.5 | -71.1 | -179.1 | 63.8 | 0 | 0 | 114.9 | Q305 A307 W313 | Q305-M309 HydrophobicContact CG-CG 4.34Å; Q305-M309 HydrophobicContact CG-SD 3.94Å; Q305-M309 WeakPolarHBondContact O-CB 3.4Å; Q305-M309 WeakPolarHBondContact O-CG 3.44Å; Q305-M309 PolarHBondContact O-N 3.32Å; A307-M309 VanDerWaalsContact C-N 3.28Å; A307-M309 PolarHBondContact O-N 3.46Å; A307-M309 VanDerWaalsContact O-N 3.1Å; M309-W313 WeakPolarHBondContact O-CB 3.44Å; M309-W313 PolarHBondContact O-N 2.91Å |
| 310 | R | 98.8 | Very high | 98.7 | Very high | 113 Ų | 113 | 99.9 Ų | 99.9 | 43% | 0.426 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -81.1 | -44.2 | 169.4 | -73.8 | 167 | 174.5 | -158.8 | -3.7 | 111.1 | L306 A307 R308 W313 I314 L577 | L306-R310 WeakPolarHBondContact O-CD 3.43Å; L306-R310 VanDerWaalsContact O-CG 3.22Å; L306-R310 WeakPolarHBondContact O-CG 3.17Å; L306-R310 PolarHBondContact O-N 2.95Å; A307-R310 WeakPolarHBondContact O-CA 3.26Å; A307-R310 VanDerWaalsContact O-CB 3.31Å; A307-R310 WeakPolarHBondContact O-CB 3.35Å; A307-R310 PolarHBondContact O-N 3.33Å; R308-R310 VanDerWaalsContact C-N 3.26Å; R308-R310 PolarHBondContact O-N 2.89Å; R310-W313 PolarHBondContact O-N 3.09Å; R310-I314 WeakPolarHBondContact O-CB 3.4Å; R310-I314 WeakPolarHBondContact O-CD1 3.42Å; R310-I314 VanDerWaalsContact O-CG1 3.23Å; R310-I314 WeakPolarHBondContact O-CG1 3.46Å; R310-I314 PolarHBondContact O-N 3.41Å; R310-L577 VanDerWaalsContact NH2-CD2 3.26Å |
| 311 | E | 98.6 | Very high | 98.7 | Very high | 106 Ų | 106 | 98.5 Ų | 98.5 | 50% | 0.495 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60 | -48.2 | 174.9 | -76.6 | 82.6 | -99.4 | 0 | 0 | 111.2 | A307 R308 W313 I314 E315 | A307-E311 VanDerWaalsContact C-CD 3.49Å; A307-E311 WeakPolarHBondContact CB-OE2 3.49Å; A307-E311 PolarHBondContact O-N 2.96Å; A307-E311 VanDerWaalsContact O-OE1 3.08Å; R308-E311 PolarHBondContact N-OE2 3.31Å; R308-E311 PolarHBondContact O-N 3.27Å; E311-W313 VanDerWaalsContact C-N 3.3Å; E311-W313 PolarHBondContact O-N 3.47Å; E311-I314 PolarHBondContact O-N 3.3Å; E311-E315 PolarHBondContact O-N 2.92Å |
| 312 | D | 98.7 | Very high | 98.7 | Very high | 91 Ų | 91 | 97.8 Ų | 97.8 | 49% | 0.487 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -53.3 | -45.9 | 173.3 | -62.3 | -28.5 | 0 | 0 | 0 | 111.1 | R308 E315 E316 | R308-D312 WeakPolarHBondContact O-CB 3.37Å; R308-D312 PolarHBondContact O-N 2.85Å; D312-E315 PolarHBondContact O-N 2.86Å; D312-E316 PolarHBondContact O-N 2.94Å |
| 313 | W | 98.8 | Very high | 98.7 | Very high | 159 Ų | 159 | 96.4 Ų | 96.4 | 60% | 0.602 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -69.5 | -37 | -179.9 | 178.6 | 77.1 | 0 | 0 | 0 | 113.2 | M309 R310 E311 E315 E317 | M309-W313 WeakPolarHBondContact O-CB 3.44Å; M309-W313 PolarHBondContact O-N 2.91Å; R310-W313 PolarHBondContact O-N 3.09Å; E311-W313 VanDerWaalsContact C-N 3.3Å; E311-W313 PolarHBondContact O-N 3.47Å; W313-E315 VanDerWaalsContact C-N 3.33Å; W313-E317 VanDerWaalsContact O-CB 3.32Å; W313-E317 WeakPolarHBondContact O-CB 3.2Å; W313-E317 PolarHBondContact O-N 2.9Å |
| 314 | I | 98.7 | Very high | 98.7 | Very high | 100 Ų | 100 | 94.4 Ų | 94.4 | 51% | 0.513 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 174 | -70.3 | 163.3 | 0 | 0 | 0 | 110 | R310 E311 C318 | R310-I314 WeakPolarHBondContact O-CB 3.4Å; R310-I314 WeakPolarHBondContact O-CD1 3.42Å; R310-I314 VanDerWaalsContact O-CG1 3.23Å; R310-I314 WeakPolarHBondContact O-CG1 3.46Å; R310-I314 PolarHBondContact O-N 3.41Å; E311-I314 PolarHBondContact O-N 3.3Å; I314-C318 WeakPolarHBondContact O-CB 3.45Å; I314-C318 PolarHBondContact O-N 3.35Å |
| 315 | E | 98.7 | Very high | 98.7 | Very high | 119 Ų | 119 | 97.1 Ų | 97.1 | 56% | 0.556 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.7 | -43.7 | 176.8 | -174.6 | 172.9 | 170.6 | 0 | 0 | 112.1 | E311 D312 W313 C318 H319 | E311-E315 PolarHBondContact O-N 2.92Å; D312-E315 PolarHBondContact O-N 2.86Å; W313-E315 VanDerWaalsContact C-N 3.33Å; E315-C318 PolarHBondContact O-N 3.49Å; E315-H319 VanDerWaalsContact CG-CE1 3.5Å; E315-H319 WeakPolarHBondContact CG-CE1 3.3Å; E315-H319 PolarHBondContact O-N 2.93Å; E315-H319 PolarHBondContact O-ND1 2.9Å; E315-H319 IonicContact OE1-CE1 3.53Å; E315-H319 PolarHBondContact OE1-CE1 3.47Å |
| 316 | E | 98.5 | Very high | 98.7 | Very high | 144 Ų | 144 | 96 Ų | 96 | 67% | 0.673 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.4 | -45.4 | 173.4 | -75.9 | -170.5 | 170.6 | 0 | 0 | 112.2 | D312 R320 | D312-E316 PolarHBondContact O-N 2.94Å; E316-R320 WeakPolarHBondContact O-CB 2.98Å; E316-R320 PolarHBondContact O-N 2.87Å |
| 317 | E | 98.4 | Very high | 98.7 | Very high | 68 Ų | 68 | 96 Ų | 96 | 32% | 0.318 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.8 | -34 | 179.1 | -178.1 | 64 | -175 | 0 | 0 | 112.1 | W313 R320 V321 | W313-E317 VanDerWaalsContact O-CB 3.32Å; W313-E317 WeakPolarHBondContact O-CB 3.2Å; W313-E317 PolarHBondContact O-N 2.9Å; E317-R320 WeakPolarHBondContact O-CB 3.49Å; E317-R320 PolarHBondContact O-N 3.15Å; E317-R320 IonicContact OE1-CZ 3.72Å; E317-R320 IonicContact OE1-NE 3.48Å; E317-R320 PolarHBondContact OE1-NE 3.1Å; E317-R320 IonicContact OE1-NH2 3.5Å; E317-R320 PolarHBondContact OE1-NH2 3.46Å; E317-R320 WeakPolarHBondContact OE2-CD 3.34Å; E317-R320 IonicContact OE2-CZ 2.69Å; E317-R320 IonicContact OE2-NE 2.72Å; E317-R320 PolarHBondContact OE2-NE 2.92Å; E317-R320 IonicContact OE2-NH2 2.76Å; E317-V321 WeakPolarHBondContact O-CG2 3.44Å; E317-V321 PolarHBondContact O-N 3.29Å; E317-V321 VanDerWaalsContact O-N 3.08Å |
| 318 | C | 98.7 | Very high | 98.7 | Very high | 63 Ų | 63 | 100.5 Ų | 100.5 | 43% | 0.426 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.8 | -56.9 | 172.4 | -171.2 | 0 | 0 | 0 | 0 | 111 | I314 E315 R320 V321 E322 | I314-C318 WeakPolarHBondContact O-CB 3.45Å; I314-C318 PolarHBondContact O-N 3.35Å; E315-C318 PolarHBondContact O-N 3.49Å; C318-R320 PolarHBondContact O-N 3.49Å; C318-V321 WeakPolarHBondContact O-CA 3.44Å; C318-V321 PolarHBondContact O-N 2.95Å; C318-E322 PolarHBondContact O-N 2.93Å |
| 319 | H | 98.8 | Very high | 98.7 | Very high | 98 Ų | 98 | 99.5 Ų | 99.5 | 45% | 0.454 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -55.1 | -37.4 | 176.5 | -72.6 | 118.5 | 0 | 0 | 0 | 112.3 | E315 V321 E322 A323 | E315-H319 VanDerWaalsContact CG-CE1 3.5Å; E315-H319 WeakPolarHBondContact CG-CE1 3.3Å; E315-H319 PolarHBondContact O-N 2.93Å; E315-H319 PolarHBondContact O-ND1 2.9Å; E315-H319 IonicContact OE1-CE1 3.53Å; E315-H319 PolarHBondContact OE1-CE1 3.47Å; H319-V321 VanDerWaalsContact C-N 3.34Å; H319-V321 PolarHBondContact O-N 2.79Å; H319-E322 IonicContact CD2-OE2 3.21Å; H319-A323 WeakPolarHBondContact O-CB 3.48Å; H319-A323 PolarHBondContact O-N 3.47Å |
| 320 | R | 98.9 | Very high | 98.7 | Very high | 101 Ų | 101 | 96.5 Ų | 96.5 | 38% | 0.381 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.2 | -35 | 175.8 | -163.4 | -157.7 | 59.4 | 59.4 | -5 | 112.8 | E316 E317 C318 Q324 | E316-R320 WeakPolarHBondContact O-CB 2.98Å; E316-R320 PolarHBondContact O-N 2.87Å; E317-R320 WeakPolarHBondContact O-CB 3.49Å; E317-R320 PolarHBondContact O-N 3.15Å; E317-R320 IonicContact OE1-CZ 3.72Å; E317-R320 IonicContact OE1-NE 3.48Å; E317-R320 PolarHBondContact OE1-NE 3.1Å; E317-R320 IonicContact OE1-NH2 3.5Å; E317-R320 PolarHBondContact OE1-NH2 3.46Å; E317-R320 WeakPolarHBondContact OE2-CD 3.34Å; E317-R320 IonicContact OE2-CZ 2.69Å; E317-R320 IonicContact OE2-NE 2.72Å; E317-R320 PolarHBondContact OE2-NE 2.92Å; E317-R320 IonicContact OE2-NH2 2.76Å; C318-R320 PolarHBondContact O-N 3.49Å; R320-Q324 VanDerWaalsContact NH1-NE2 3.19Å; R320-Q324 WeakPolarHBondContact O-CG 3.38Å; R320-Q324 PolarHBondContact O-N 2.76Å |
| 321 | V | 98.8 | Very high | 98.7 | Very high | 70 Ų | 70 | 98.7 Ų | 98.7 | 42% | 0.424 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -79.1 | -41.9 | 177.1 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | E317 C318 H319 A323 Q324 L325 | E317-V321 WeakPolarHBondContact O-CG2 3.44Å; E317-V321 PolarHBondContact O-N 3.29Å; E317-V321 VanDerWaalsContact O-N 3.08Å; C318-V321 WeakPolarHBondContact O-CA 3.44Å; C318-V321 PolarHBondContact O-N 2.95Å; H319-V321 VanDerWaalsContact C-N 3.34Å; H319-V321 PolarHBondContact O-N 2.79Å; V321-A323 PolarHBondContact O-N 3.02Å; V321-Q324 CarbonylContact O-C 3.58Å; V321-Q324 WeakPolarHBondContact O-CB 3.26Å; V321-Q324 PolarHBondContact O-N 2.72Å; V321-Q324 VanDerWaalsContact O-N 3.12Å; V321-L325 PolarHBondContact O-N 2.95Å |
| 322 | E | 98.6 | Very high | 98.7 | Very high | 112 Ų | 112 | 100.3 Ų | 100.3 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.6 | -48 | 175.3 | -70 | -175.9 | 149.7 | 0 | 0 | 111.7 | C318 H319 Q324 L325 A326 | C318-E322 PolarHBondContact O-N 2.93Å; H319-E322 IonicContact CD2-OE2 3.21Å; E322-Q324 PolarHBondContact O-N 3.48Å; E322-L325 WeakPolarHBondContact O-CA 3.33Å; E322-L325 WeakPolarHBondContact O-CB 3.5Å; E322-L325 PolarHBondContact O-N 3.09Å; E322-A326 PolarHBondContact O-N 3.37Å |
| 323 | A | 98.7 | Very high | 98.7 | Very high | 63 Ų | 63 | 100.9 Ų | 100.9 | 52% | 0.521 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.2 | -34.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | H319 V321 L327 | H319-A323 WeakPolarHBondContact O-CB 3.48Å; H319-A323 PolarHBondContact O-N 3.47Å; V321-A323 PolarHBondContact O-N 3.02Å; A323-L327 WeakPolarHBondContact O-CB 3.23Å; A323-L327 PolarHBondContact O-N 2.9Å; A323-L327 VanDerWaalsContact O-N 3.13Å |
| 324 | Q | 98.7 | Very high | 98.7 | Very high | 96 Ų | 96 | 97.9 Ų | 97.9 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -72.6 | -28 | 173.6 | -77.9 | -176.2 | -14.5 | 0 | 0 | 113.4 | R320 V321 E322 K328 | R320-Q324 VanDerWaalsContact NH1-NE2 3.19Å; R320-Q324 WeakPolarHBondContact O-CG 3.38Å; R320-Q324 PolarHBondContact O-N 2.76Å; V321-Q324 CarbonylContact O-C 3.58Å; V321-Q324 WeakPolarHBondContact O-CB 3.26Å; V321-Q324 PolarHBondContact O-N 2.72Å; V321-Q324 VanDerWaalsContact O-N 3.12Å; E322-Q324 PolarHBondContact O-N 3.48Å; Q324-K328 WeakPolarHBondContact O-CD 3.46Å; Q324-K328 VanDerWaalsContact O-CG 3.23Å; Q324-K328 WeakPolarHBondContact O-CG 3.45Å; Q324-K328 PolarHBondContact O-N 3Å |
| 325 | L | 98.7 | Very high | 98.7 | Very high | 108 Ų | 108 | 100.5 Ų | 100.5 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -75.1 | -51.8 | 176.3 | -168 | 155 | 0 | 0 | 0 | 110.5 | V321 E322 L327 K328 E329 | V321-L325 PolarHBondContact O-N 2.95Å; E322-L325 WeakPolarHBondContact O-CA 3.33Å; E322-L325 WeakPolarHBondContact O-CB 3.5Å; E322-L325 PolarHBondContact O-N 3.09Å; L325-L327 VanDerWaalsContact C-N 3.27Å; L325-L327 PolarHBondContact O-N 3.47Å; L325-K328 CarbonylContact O-C 3.6Å; L325-K328 WeakPolarHBondContact O-CA 3.39Å; L325-K328 WeakPolarHBondContact O-CB 3.25Å; L325-K328 PolarHBondContact O-N 3.5Å; L325-E329 PolarHBondContact O-N 3.45Å |
| 326 | A | 98.8 | Very high | 98.6 | Very high | 55 Ų | 55 | 100.4 Ų | 100.4 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.1 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E322 K328 E329 A330 | E322-A326 PolarHBondContact O-N 3.37Å; A326-K328 VanDerWaalsContact C-N 3.34Å; A326-K328 PolarHBondContact O-N 2.93Å; A326-E329 PolarHBondContact O-N 3.46Å; A326-A330 WeakPolarHBondContact O-CB 3.47Å; A326-A330 PolarHBondContact O-N 3.19Å |
| 327 | L | 98.8 | Very high | 98.7 | Very high | 85 Ų | 85 | 98.6 Ų | 98.6 | 45% | 0.445 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.2 | -28.2 | 174.5 | 174.1 | 148.4 | 0 | 0 | 0 | 113.4 | A323 L325 R331 | A323-L327 WeakPolarHBondContact O-CB 3.23Å; A323-L327 PolarHBondContact O-N 2.9Å; A323-L327 VanDerWaalsContact O-N 3.13Å; L325-L327 VanDerWaalsContact C-N 3.27Å; L325-L327 PolarHBondContact O-N 3.47Å; L327-R331 VanDerWaalsContact CD2-CZ 3.49Å; L327-R331 WeakPolarHBondContact O-CB 3.28Å; L327-R331 VanDerWaalsContact O-CD 3.27Å; L327-R331 WeakPolarHBondContact O-CD 3.35Å; L327-R331 WeakPolarHBondContact O-CG 3.45Å; L327-R331 PolarHBondContact O-N 3.27Å |
| 328 | K | 98.8 | Very high | 98.7 | Very high | 133 Ų | 133 | 102.3 Ų | 102.3 | 58% | 0.578 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -74.6 | -34.4 | 170.5 | -77.1 | 166.9 | -177.8 | 173.2 | 0 | 111.7 | Q324 L325 A326 K332 | Q324-K328 WeakPolarHBondContact O-CD 3.46Å; Q324-K328 VanDerWaalsContact O-CG 3.23Å; Q324-K328 WeakPolarHBondContact O-CG 3.45Å; Q324-K328 PolarHBondContact O-N 3Å; L325-K328 CarbonylContact O-C 3.6Å; L325-K328 WeakPolarHBondContact O-CA 3.39Å; L325-K328 WeakPolarHBondContact O-CB 3.25Å; L325-K328 PolarHBondContact O-N 3.5Å; A326-K328 VanDerWaalsContact C-N 3.34Å; A326-K328 PolarHBondContact O-N 2.93Å; K328-K332 PolarHBondContact O-N 3.31Å |
| 329 | E | 98.6 | Very high | 98.7 | Very high | 105 Ų | 105 | 105.8 Ų | 105.8 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.2 | -53.9 | 178 | -175.8 | 155.9 | -125.3 | 0 | 0 | 111.9 | L325 A326 R331 K332 E333 | L325-E329 PolarHBondContact O-N 3.45Å; A326-E329 PolarHBondContact O-N 3.46Å; E329-R331 PolarHBondContact O-N 2.9Å; E329-R331 VanDerWaalsContact O-N 3.1Å; E329-K332 WeakPolarHBondContact O-CA 3.34Å; E329-K332 VanDerWaalsContact O-CB 3.32Å; E329-K332 WeakPolarHBondContact O-CB 3.48Å; E329-K332 PolarHBondContact O-N 2.91Å; E329-E333 PolarHBondContact O-N 2.87Å |
| 330 | A | 98.7 | Very high | 98.6 | Very high | 38 Ų | 38 | 104.7 Ų | 104.7 | 31% | 0.314 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -55.4 | -32.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A326 E333 I334 | A326-A330 WeakPolarHBondContact O-CB 3.47Å; A326-A330 PolarHBondContact O-N 3.19Å; A330-E333 PolarHBondContact O-N 2.89Å; A330-I334 WeakPolarHBondContact O-CB 3.27Å; A330-I334 WeakPolarHBondContact O-CD1 3.32Å; A330-I334 WeakPolarHBondContact O-CG1 3.47Å; A330-I334 PolarHBondContact O-N 2.87Å |
| 331 | R | 98.6 | Very high | 98.6 | Very high | 158 Ų | 158 | 105.1 Ų | 105.1 | 60% | 0.596 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.6 | -23.3 | 173 | -78.5 | 173 | 178.5 | -176.5 | -1.2 | 114.2 | L327 E329 K335 | L327-R331 VanDerWaalsContact CD2-CZ 3.49Å; L327-R331 WeakPolarHBondContact O-CB 3.28Å; L327-R331 VanDerWaalsContact O-CD 3.27Å; L327-R331 WeakPolarHBondContact O-CD 3.35Å; L327-R331 WeakPolarHBondContact O-CG 3.45Å; L327-R331 PolarHBondContact O-N 3.27Å; E329-R331 PolarHBondContact O-N 2.9Å; E329-R331 VanDerWaalsContact O-N 3.1Å; R331-K335 WeakPolarHBondContact O-CG 3.22Å |
| 332 | K | 98.7 | Very high | 98.6 | Very high | 140 Ų | 140 | 106 Ų | 106 | 61% | 0.609 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -77.5 | -46.9 | 169.2 | -66.5 | 171.8 | -178.7 | 176.7 | 0 | 110.3 | K328 E329 I334 K335 Q336 | K328-K332 PolarHBondContact O-N 3.31Å; E329-K332 WeakPolarHBondContact O-CA 3.34Å; E329-K332 VanDerWaalsContact O-CB 3.32Å; E329-K332 WeakPolarHBondContact O-CB 3.48Å; E329-K332 PolarHBondContact O-N 2.91Å; K332-I334 PolarHBondContact O-N 3.03Å; K332-K335 WeakPolarHBondContact O-CA 3.11Å; K332-K335 WeakPolarHBondContact O-CB 3.21Å; K332-K335 PolarHBondContact O-N 3.3Å; K332-Q336 PolarHBondContact O-N 3.42Å |
| 333 | E | 98.4 | Very high | 98.6 | Very high | 103 Ų | 103 | 104.4 Ų | 104.4 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.4 | -47.5 | 177.5 | -64.9 | 178.2 | 166.4 | 0 | 0 | 111.5 | E329 A330 K335 Q336 L337 | E329-E333 PolarHBondContact O-N 2.87Å; A330-E333 PolarHBondContact O-N 2.89Å; E333-K335 PolarHBondContact O-N 3.27Å; E333-Q336 PolarHBondContact O-N 3.02Å; E333-Q336 VanDerWaalsContact O-N 3.1Å; E333-L337 WeakPolarHBondContact O-CB 3.35Å; E333-L337 WeakPolarHBondContact O-CG 3.29Å; E333-L337 PolarHBondContact O-N 3.43Å |
| 334 | I | 98.5 | Very high | 98.6 | Very high | 96 Ų | 96 | 107.1 Ų | 107.1 | 49% | 0.492 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.3 | -34 | 176 | -70.9 | 164.8 | 0 | 0 | 0 | 111.8 | A330 K332 K338 | A330-I334 WeakPolarHBondContact O-CB 3.27Å; A330-I334 WeakPolarHBondContact O-CD1 3.32Å; A330-I334 WeakPolarHBondContact O-CG1 3.47Å; A330-I334 PolarHBondContact O-N 2.87Å; K332-I334 PolarHBondContact O-N 3.03Å; I334-K338 WeakPolarHBondContact O-CB 3.32Å; I334-K338 VanDerWaalsContact O-CG 3.29Å; I334-K338 WeakPolarHBondContact O-CG 3.38Å; I334-K338 PolarHBondContact O-N 3.07Å |
| 335 | K | 98.6 | Very high | 98.5 | Very high | 156 Ų | 156 | 110.1 Ų | 110.1 | 68% | 0.678 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.9 | -43.3 | 174.2 | -74.9 | 178 | 176.8 | -166.8 | 0 | 111.8 | R331 K332 E333 K338 Q339 | R331-K335 WeakPolarHBondContact O-CG 3.22Å; K332-K335 WeakPolarHBondContact O-CA 3.11Å; K332-K335 WeakPolarHBondContact O-CB 3.21Å; K332-K335 PolarHBondContact O-N 3.3Å; E333-K335 PolarHBondContact O-N 3.27Å; K335-K338 PolarHBondContact O-N 3.01Å; K335-Q339 PolarHBondContact O-N 2.79Å |
| 336 | Q | 98.6 | Very high | 98.5 | Very high | 116 Ų | 116 | 107.7 Ų | 107.7 | 54% | 0.542 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 176.2 | -70.3 | 168.2 | -41.6 | 0 | 0 | 111.2 | K332 E333 K338 Q339 V340 | K332-Q336 PolarHBondContact O-N 3.42Å; E333-Q336 PolarHBondContact O-N 3.02Å; E333-Q336 VanDerWaalsContact O-N 3.1Å; Q336-K338 PolarHBondContact O-N 3.16Å; Q336-Q339 WeakPolarHBondContact O-CB 3.39Å; Q336-Q339 PolarHBondContact O-N 3.25Å; Q336-Q339 VanDerWaalsContact O-N 3.15Å; Q336-V340 WeakPolarHBondContact O-CG2 3.37Å; Q336-V340 PolarHBondContact O-N 2.82Å |
| 337 | L | 98.8 | Very high | 98.4 | Very high | 106 Ų | 106 | 107.3 Ų | 107.3 | 56% | 0.555 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62 | -41.3 | 175.5 | -69.3 | 172.5 | 0 | 0 | 0 | 111.9 | E333 Q339 V340 I341 | E333-L337 WeakPolarHBondContact O-CB 3.35Å; E333-L337 WeakPolarHBondContact O-CG 3.29Å; E333-L337 PolarHBondContact O-N 3.43Å; L337-Q339 PolarHBondContact O-N 2.91Å; L337-V340 PolarHBondContact O-N 3.03Å; L337-I341 WeakPolarHBondContact O-CB 3.11Å; L337-I341 VanDerWaalsContact O-CG1 3.26Å; L337-I341 WeakPolarHBondContact O-CG1 3.5Å; L337-I341 PolarHBondContact O-N 3.46Å |
| 338 | K | 98.5 | Very high | 98.3 | Very high | 147 Ų | 147 | 108 Ų | 108 | 64% | 0.639 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.5 | -42.3 | 171.8 | -80.7 | -175.9 | 175.5 | -162.7 | 0 | 112.3 | I334 K335 Q336 I341 E342 | I334-K338 WeakPolarHBondContact O-CB 3.32Å; I334-K338 VanDerWaalsContact O-CG 3.29Å; I334-K338 WeakPolarHBondContact O-CG 3.38Å; I334-K338 PolarHBondContact O-N 3.07Å; K335-K338 PolarHBondContact O-N 3.01Å; Q336-K338 PolarHBondContact O-N 3.16Å; K338-I341 PolarHBondContact O-N 3.02Å; K338-E342 WeakPolarHBondContact O-CB 3.38Å; K338-E342 PolarHBondContact O-N 3.02Å |
| 339 | Q | 98.5 | Very high | 98.2 | Very high | 135 Ų | 135 | 103.6 Ų | 103.6 | 63% | 0.631 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.7 | -42.3 | 176.4 | -173.8 | 178.5 | 2.3 | 0 | 0 | 112 | K335 Q336 L337 E342 T343 | K335-Q339 PolarHBondContact O-N 2.79Å; Q336-Q339 WeakPolarHBondContact O-CB 3.39Å; Q336-Q339 PolarHBondContact O-N 3.25Å; Q336-Q339 VanDerWaalsContact O-N 3.15Å; L337-Q339 PolarHBondContact O-N 2.91Å; Q339-E342 PolarHBondContact O-N 3.29Å; Q339-T343 WeakPolarHBondContact O-CG2 3.1Å; Q339-T343 PolarHBondContact O-N 3.38Å; Q339-T343 PolarHBondContact O-OG1 3.32Å |
| 340 | V | 98.6 | Very high | 98.1 | Very high | 75 Ų | 75 | 102.9 Ų | 102.9 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -49 | 175.3 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | Q336 L337 E342 T343 M344 | Q336-V340 WeakPolarHBondContact O-CG2 3.37Å; Q336-V340 PolarHBondContact O-N 2.82Å; L337-V340 PolarHBondContact O-N 3.03Å; V340-E342 VanDerWaalsContact C-N 3.27Å; V340-E342 PolarHBondContact O-N 3.1Å; V340-T343 PolarHBondContact O-N 3.36Å; V340-T343 PolarHBondContact O-OG1 3.12Å; V340-M344 HydrophobicContact CG1-CG 4.46Å; V340-M344 HydrophobicContact CG1-SD 4.02Å; V340-M344 WeakPolarHBondContact O-CG 3.14Å; V340-M344 PolarHBondContact O-N 3.24Å |
| 341 | I | 98.5 | Very high | 98 | Very high | 110 Ų | 110 | 107.3 Ų | 107.3 | 56% | 0.564 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -56.8 | -41.7 | 175.7 | -70 | 164.8 | 0 | 0 | 0 | 111 | L337 K338 M344 R345 | L337-I341 WeakPolarHBondContact O-CB 3.11Å; L337-I341 VanDerWaalsContact O-CG1 3.26Å; L337-I341 WeakPolarHBondContact O-CG1 3.5Å; L337-I341 PolarHBondContact O-N 3.46Å; K338-I341 PolarHBondContact O-N 3.02Å; I341-M344 PolarHBondContact O-N 3.38Å; I341-R345 WeakPolarHBondContact O-CB 3.32Å; I341-R345 PolarHBondContact O-N 2.92Å |
| 342 | E | 98.4 | Very high | 97.9 | Very high | 88 Ų | 88 | 103.7 Ų | 103.7 | 41% | 0.411 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.7 | -42.9 | 179.3 | -173.3 | 57.6 | -161.6 | 0 | 0 | 112.7 | K338 Q339 V340 M344 R345 S346 | K338-E342 WeakPolarHBondContact O-CB 3.38Å; K338-E342 PolarHBondContact O-N 3.02Å; Q339-E342 PolarHBondContact O-N 3.29Å; V340-E342 VanDerWaalsContact C-N 3.27Å; V340-E342 PolarHBondContact O-N 3.1Å; E342-M344 VanDerWaalsContact C-N 3.32Å; E342-M344 PolarHBondContact O-N 3.21Å; E342-R345 VanDerWaalsContact CD-NH2 3.27Å; E342-R345 WeakPolarHBondContact O-CB 3.17Å; E342-R345 PolarHBondContact O-N 3.44Å; E342-R345 IonicContact OE1-CZ 2.67Å; E342-R345 IonicContact OE1-NE 3.02Å; E342-R345 PolarHBondContact OE1-NE 3.2Å; E342-R345 IonicContact OE1-NH2 3.28Å; E342-R345 PolarHBondContact OE1-NH2 2.86Å; E342-R345 IonicContact OE2-CZ 2.79Å; E342-R345 VanDerWaalsContact OE2-CZ 3.28Å; E342-R345 IonicContact OE2-NE 2.82Å; E342-R345 PolarHBondContact OE2-NE 3.29Å; E342-R345 IonicContact OE2-NH2 2.9Å; E342-R345 PolarHBondContact OE2-NH2 3.3Å; E342-S346 PolarHBondContact O-N 3.34Å; E342-S346 PolarHBondContact O-OG 3.42Å |
| 343 | T | 98.1 | Very high | 97.8 | Very high | 79 Ų | 79 | 102.9 Ų | 102.9 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.6 | -32.6 | 174 | 58 | 0 | 0 | 0 | 0 | 112.8 | Q339 V340 S346 S347 | Q339-T343 WeakPolarHBondContact O-CG2 3.1Å; Q339-T343 PolarHBondContact O-N 3.38Å; Q339-T343 PolarHBondContact O-OG1 3.32Å; V340-T343 PolarHBondContact O-N 3.36Å; V340-T343 PolarHBondContact O-OG1 3.12Å; T343-S346 PolarHBondContact O-OG 3.01Å; T343-S346 VanDerWaalsContact O-OG 3.13Å; T343-S347 VanDerWaalsContact O-CB 3.32Å; T343-S347 WeakPolarHBondContact O-CB 3.34Å; T343-S347 PolarHBondContact O-N 3.45Å; T343-S347 VanDerWaalsContact O-N 3.09Å; T343-S347 PolarHBondContact O-OG 3.21Å |
| 344 | M | 98.5 | Very high | 97.7 | Very high | 121 Ų | 121 | 99.3 Ų | 99.3 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.6 | -42.8 | 170.6 | -71.8 | 179.2 | 67.7 | 0 | 0 | 110.9 | V340 I341 E342 S347 L348 | V340-M344 HydrophobicContact CG1-CG 4.46Å; V340-M344 HydrophobicContact CG1-SD 4.02Å; V340-M344 WeakPolarHBondContact O-CG 3.14Å; V340-M344 PolarHBondContact O-N 3.24Å; I341-M344 PolarHBondContact O-N 3.38Å; E342-M344 VanDerWaalsContact C-N 3.32Å; E342-M344 PolarHBondContact O-N 3.21Å; M344-S347 PolarHBondContact O-N 3.08Å; M344-S347 PolarHBondContact O-OG 2.95Å; M344-L348 WeakPolarHBondContact O-CB 3.47Å; M344-L348 PolarHBondContact O-N 3.49Å |
| 345 | R | 98.1 | Very high | 97.6 | Very high | 158 Ų | 158 | 98.9 Ų | 98.9 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.6 | -46.2 | 178.8 | -171 | 173.4 | 76.7 | 115.3 | 2.4 | 112.3 | I341 E342 L348 A349 | I341-R345 WeakPolarHBondContact O-CB 3.32Å; I341-R345 PolarHBondContact O-N 2.92Å; E342-R345 VanDerWaalsContact CD-NH2 3.27Å; E342-R345 WeakPolarHBondContact O-CB 3.17Å; E342-R345 PolarHBondContact O-N 3.44Å; E342-R345 IonicContact OE1-CZ 2.67Å; E342-R345 IonicContact OE1-NE 3.02Å; E342-R345 PolarHBondContact OE1-NE 3.2Å; E342-R345 IonicContact OE1-NH2 3.28Å; E342-R345 PolarHBondContact OE1-NH2 2.86Å; E342-R345 IonicContact OE2-CZ 2.79Å; E342-R345 VanDerWaalsContact OE2-CZ 3.28Å; E342-R345 IonicContact OE2-NE 2.82Å; E342-R345 PolarHBondContact OE2-NE 3.29Å; E342-R345 IonicContact OE2-NH2 2.9Å; E342-R345 PolarHBondContact OE2-NH2 3.3Å; R345-L348 PolarHBondContact O-N 3.32Å; R345-A349 PolarHBondContact O-N 3.45Å |
| 346 | S | 97.3 | Very high | 97.6 | Very high | 57 Ų | 57 | 97.8 Ų | 97.8 | 40% | 0.399 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 174.2 | 60.1 | 0 | 0 | 0 | 0 | 111.8 | E342 T343 L348 A349 D350 | E342-S346 PolarHBondContact O-N 3.34Å; E342-S346 PolarHBondContact O-OG 3.42Å; T343-S346 PolarHBondContact O-OG 3.01Å; T343-S346 VanDerWaalsContact O-OG 3.13Å; S346-L348 PolarHBondContact O-N 3.39Å; S346-A349 PolarHBondContact O-N 2.93Å; S346-A349 VanDerWaalsContact O-N 3.15Å; S346-D350 PolarHBondContact O-N 3.37Å |
| 347 | S | 97.3 | Very high | 97.5 | Very high | 48 Ų | 48 | 98.7 Ų | 98.7 | 34% | 0.336 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -24.6 | 177.2 | 84.4 | 0 | 0 | 0 | 0 | 114 | T343 M344 K351 | T343-S347 VanDerWaalsContact O-CB 3.32Å; T343-S347 WeakPolarHBondContact O-CB 3.34Å; T343-S347 PolarHBondContact O-N 3.45Å; T343-S347 VanDerWaalsContact O-N 3.09Å; T343-S347 PolarHBondContact O-OG 3.21Å; M344-S347 PolarHBondContact O-N 3.08Å; M344-S347 PolarHBondContact O-OG 2.95Å; S347-K351 VanDerWaalsContact O-CD 3.32Å; S347-K351 WeakPolarHBondContact O-CD 3.46Å; S347-K351 VanDerWaalsContact O-CG 3.29Å; S347-K351 WeakPolarHBondContact O-CG 3.44Å; S347-K351 PolarHBondContact O-N 2.81Å |
| 348 | L | 97.1 | Very high | 97.5 | Very high | 98 Ų | 98 | 101.2 Ų | 101.2 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -78.9 | -47.6 | 173.6 | -174.7 | 62.4 | 0 | 0 | 0 | 110.5 | M344 R345 S346 D350 K351 D352 | M344-L348 WeakPolarHBondContact O-CB 3.47Å; M344-L348 PolarHBondContact O-N 3.49Å; R345-L348 PolarHBondContact O-N 3.32Å; S346-L348 PolarHBondContact O-N 3.39Å; L348-D350 PolarHBondContact O-N 3.04Å; L348-K351 CarbonylContact O-C 3.56Å; L348-K351 WeakPolarHBondContact O-CA 3.4Å; L348-K351 WeakPolarHBondContact O-CB 3.48Å; L348-K351 PolarHBondContact O-N 3.32Å; L348-D352 PolarHBondContact O-N 3.33Å |
| 349 | A | 96.6 | Very high | 97.4 | Very high | 42 Ų | 42 | 101.1 Ų | 101.1 | 35% | 0.347 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.8 | -33.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R345 S346 D352 K353 | R345-A349 PolarHBondContact O-N 3.45Å; S346-A349 PolarHBondContact O-N 2.93Å; S346-A349 VanDerWaalsContact O-N 3.15Å; A349-D352 PolarHBondContact O-N 3.23Å; A349-K353 VanDerWaalsContact O-CG 3.3Å; A349-K353 WeakPolarHBondContact O-CG 3.5Å; A349-K353 PolarHBondContact O-N 3.46Å |
| 350 | D | 95.9 | Very high | 97.4 | Very high | 90 Ų | 90 | 98.3 Ų | 98.3 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.9 | -32.4 | 173.9 | -69.9 | -32.1 | 0 | 0 | 0 | 113.3 | S346 L348 K353 G354 | S346-D350 PolarHBondContact O-N 3.37Å; L348-D350 PolarHBondContact O-N 3.04Å; D350-K353 IonicContact OD1-NZ 2.7Å; D350-K353 PolarHBondContact OD1-NZ 2.87Å; D350-G354 PolarHBondContact O-N 2.94Å |
| 351 | K | 96.5 | Very high | 97.4 | Very high | 130 Ų | 130 | 97.6 Ų | 97.6 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69 | -39.1 | 169.8 | -71.6 | 163.3 | -172.8 | 161.7 | 0 | 111.4 | S347 L348 K353 G354 I355 | S347-K351 VanDerWaalsContact O-CD 3.32Å; S347-K351 WeakPolarHBondContact O-CD 3.46Å; S347-K351 VanDerWaalsContact O-CG 3.29Å; S347-K351 WeakPolarHBondContact O-CG 3.44Å; S347-K351 PolarHBondContact O-N 2.81Å; L348-K351 CarbonylContact O-C 3.56Å; L348-K351 WeakPolarHBondContact O-CA 3.4Å; L348-K351 WeakPolarHBondContact O-CB 3.48Å; L348-K351 PolarHBondContact O-N 3.32Å; K351-K353 PolarHBondContact O-N 2.93Å; K351-G354 CarbonylContact O-C 3.56Å; K351-G354 WeakPolarHBondContact O-CA 3.41Å; K351-G354 PolarHBondContact O-N 2.9Å; K351-I355 WeakPolarHBondContact O-CG1 3.47Å; K351-I355 PolarHBondContact O-N 3.2Å |
| 352 | D | 97.5 | Very high | 97.4 | Very high | 83 Ų | 83 | 96.5 Ų | 96.5 | 44% | 0.444 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.3 | -39 | 177.8 | -66.1 | -25.3 | 0 | 0 | 0 | 111.4 | L348 A349 G354 I355 Q356 | L348-D352 PolarHBondContact O-N 3.33Å; A349-D352 PolarHBondContact O-N 3.23Å; D352-G354 VanDerWaalsContact C-N 3.31Å; D352-G354 PolarHBondContact O-N 2.92Å; D352-I355 PolarHBondContact O-N 3.4Å; D352-Q356 WeakPolarHBondContact O-CB 3.5Å; D352-Q356 PolarHBondContact O-N 3.13Å |
| 353 | K | 96.3 | Very high | 97.3 | Very high | 122 Ų | 122 | 96.5 Ų | 96.5 | 53% | 0.53 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.8 | -41.3 | 168.3 | -67.7 | 165 | -156.5 | 168 | 0 | 111.9 | A349 D350 K351 Q356 K357 | A349-K353 VanDerWaalsContact O-CG 3.3Å; A349-K353 WeakPolarHBondContact O-CG 3.5Å; A349-K353 PolarHBondContact O-N 3.46Å; D350-K353 IonicContact OD1-NZ 2.7Å; D350-K353 PolarHBondContact OD1-NZ 2.87Å; K351-K353 PolarHBondContact O-N 2.93Å; K353-Q356 PolarHBondContact O-N 2.62Å; K353-K357 PolarHBondContact O-N 3.3Å |
| 354 | G | 95.9 | Very high | 97.3 | Very high | 29 Ų | 29 | 96.4 Ų | 96.4 | 30% | 0.299 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D350 K351 D352 K357 Y358 | D350-G354 PolarHBondContact O-N 2.94Å; K351-G354 CarbonylContact O-C 3.56Å; K351-G354 WeakPolarHBondContact O-CA 3.41Å; K351-G354 PolarHBondContact O-N 2.9Å; D352-G354 VanDerWaalsContact C-N 3.31Å; D352-G354 PolarHBondContact O-N 2.92Å; G354-K357 WeakPolarHBondContact O-CB 3.19Å; G354-K357 PolarHBondContact O-N 2.97Å; G354-Y358 WeakPolarHBondContact O-CD2 3.15Å; G354-Y358 PolarHBondContact O-N 3.48Å |
| 355 | I | 97 | Very high | 97.3 | Very high | 86 Ų | 86 | 96.9 Ų | 96.9 | 44% | 0.441 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 175.5 | -67.7 | 164.3 | 0 | 0 | 0 | 110.6 | K351 D352 K357 Y358 F359 | K351-I355 WeakPolarHBondContact O-CG1 3.47Å; K351-I355 PolarHBondContact O-N 3.2Å; D352-I355 PolarHBondContact O-N 3.4Å; I355-K357 VanDerWaalsContact C-N 3.31Å; I355-K357 PolarHBondContact O-N 2.87Å; I355-Y358 PolarHBondContact O-N 3.46Å; I355-Y358 VanDerWaalsContact O-N 3.12Å; I355-F359 HydrophobicContact CG2-CD2 3.88Å; I355-F359 HydrophobicContact CG2-CE2 3.69Å; I355-F359 WeakPolarHBondContact O-CD2 3.38Å; I355-F359 PolarHBondContact O-N 3.29Å |
| 356 | Q | 97.4 | Very high | 97.3 | Very high | 134 Ų | 134 | 93.1 Ų | 93.1 | 63% | 0.626 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.2 | -40.1 | 176.1 | -170.4 | 179.7 | 18.8 | 0 | 0 | 111.6 | D352 K353 F359 V360 | D352-Q356 WeakPolarHBondContact O-CB 3.5Å; D352-Q356 PolarHBondContact O-N 3.13Å; K353-Q356 PolarHBondContact O-N 2.62Å; Q356-F359 PolarHBondContact O-N 2.82Å; Q356-V360 WeakPolarHBondContact O-CG2 3.43Å; Q356-V360 PolarHBondContact O-N 3.46Å |
| 357 | K | 97.1 | Very high | 97.3 | Very high | 134 Ų | 134 | 96.5 Ų | 96.5 | 58% | 0.583 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.9 | -47.3 | 172.2 | -172.1 | -165.4 | 169.8 | -169.2 | 0 | 111.4 | K353 G354 I355 F359 V360 D361 | K353-K357 PolarHBondContact O-N 3.3Å; G354-K357 WeakPolarHBondContact O-CB 3.19Å; G354-K357 PolarHBondContact O-N 2.97Å; I355-K357 VanDerWaalsContact C-N 3.31Å; I355-K357 PolarHBondContact O-N 2.87Å; K357-F359 VanDerWaalsContact C-N 3.3Å; K357-F359 PolarHBondContact O-N 3.46Å; K357-V360 PolarHBondContact O-N 3.05Å; K357-V360 VanDerWaalsContact O-N 3.07Å; K357-D361 VanDerWaalsContact CE-OD2 3.29Å; K357-D361 WeakPolarHBondContact CE-OD2 3.27Å; K357-D361 PolarHBondContact O-N 2.99Å |
| 358 | Y | 97.8 | Very high | 97.4 | Very high | 159 Ų | 159 | 100.9 Ų | 100.9 | 62% | 0.624 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.8 | -38.7 | 176.8 | -69.8 | -60.4 | 0 | 0 | 0 | 112.5 | G354 I355 V360 D361 I362 | G354-Y358 WeakPolarHBondContact O-CD2 3.15Å; G354-Y358 PolarHBondContact O-N 3.48Å; I355-Y358 PolarHBondContact O-N 3.46Å; I355-Y358 VanDerWaalsContact O-N 3.12Å; Y358-V360 PolarHBondContact O-N 3.34Å; Y358-D361 PolarHBondContact O-N 2.72Å; Y358-I362 WeakPolarHBondContact O-CB 3.41Å; Y358-I362 WeakPolarHBondContact O-CD1 3.42Å; Y358-I362 WeakPolarHBondContact O-CG1 3.42Å; Y358-I362 PolarHBondContact O-N 3.16Å |
| 359 | F | 98.1 | Very high | 97.4 | Very high | 146 Ų | 146 | 101.1 Ų | 101.1 | 64% | 0.64 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.2 | -39.8 | 172.7 | -83.9 | -71.4 | 0 | 0 | 0 | 112.9 | I355 Q356 K357 N363 | I355-F359 HydrophobicContact CG2-CD2 3.88Å; I355-F359 HydrophobicContact CG2-CE2 3.69Å; I355-F359 WeakPolarHBondContact O-CD2 3.38Å; I355-F359 PolarHBondContact O-N 3.29Å; Q356-F359 PolarHBondContact O-N 2.82Å; K357-F359 VanDerWaalsContact C-N 3.3Å; K357-F359 PolarHBondContact O-N 3.46Å; F359-N363 VanDerWaalsContact O-CB 3.29Å; F359-N363 WeakPolarHBondContact O-CB 3.41Å; F359-N363 PolarHBondContact O-N 3Å |
| 360 | V | 97.9 | Very high | 97.5 | Very high | 76 Ų | 76 | 104.8 Ų | 104.8 | 46% | 0.461 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 174.9 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | Q356 K357 Y358 I362 N363 I364 | Q356-V360 WeakPolarHBondContact O-CG2 3.43Å; Q356-V360 PolarHBondContact O-N 3.46Å; K357-V360 PolarHBondContact O-N 3.05Å; K357-V360 VanDerWaalsContact O-N 3.07Å; Y358-V360 PolarHBondContact O-N 3.34Å; V360-I362 PolarHBondContact O-N 2.8Å; V360-N363 PolarHBondContact O-N 2.89Å; V360-I364 HydrophobicContact CG1-CD1 3.77Å; V360-I364 HydrophobicContact CG1-CG1 4.48Å; V360-I364 VanDerWaalsContact O-CG1 3.3Å; V360-I364 WeakPolarHBondContact O-CG1 3.33Å; V360-I364 PolarHBondContact O-N 2.92Å |
| 361 | D | 98.1 | Very high | 97.5 | Very high | 60 Ų | 60 | 104 Ų | 104 | 32% | 0.321 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 178.4 | -72.9 | -26.4 | 0 | 0 | 0 | 111.5 | K357 Y358 I364 Q365 | K357-D361 VanDerWaalsContact CE-OD2 3.29Å; K357-D361 WeakPolarHBondContact CE-OD2 3.27Å; K357-D361 PolarHBondContact O-N 2.99Å; Y358-D361 PolarHBondContact O-N 2.72Å; D361-I364 PolarHBondContact O-N 3.17Å; D361-Q365 WeakPolarHBondContact O-CG 3.32Å; D361-Q365 PolarHBondContact O-N 3.08Å |
| 362 | I | 98.1 | Very high | 97.6 | Very high | 87 Ų | 87 | 103 Ų | 103 | 45% | 0.446 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 174.6 | -70.1 | 164.3 | 0 | 0 | 0 | 111.1 | Y358 V360 I364 Q365 N366 | Y358-I362 WeakPolarHBondContact O-CB 3.41Å; Y358-I362 WeakPolarHBondContact O-CD1 3.42Å; Y358-I362 WeakPolarHBondContact O-CG1 3.42Å; Y358-I362 PolarHBondContact O-N 3.16Å; V360-I362 PolarHBondContact O-N 2.8Å; I362-I364 VanDerWaalsContact C-N 3.33Å; I362-I364 PolarHBondContact O-N 3.47Å; I362-Q365 PolarHBondContact O-N 3.01Å; I362-Q365 VanDerWaalsContact O-N 3.15Å; I362-N366 PolarHBondContact O-N 2.97Å |
| 363 | N | 97.8 | Very high | 97.6 | Very high | 87 Ų | 87 | 103.4 Ų | 103.4 | 47% | 0.465 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 177.4 | -171.4 | 4.4 | 0 | 0 | 0 | 111.5 | F359 V360 N366 K367 | F359-N363 VanDerWaalsContact O-CB 3.29Å; F359-N363 WeakPolarHBondContact O-CB 3.41Å; F359-N363 PolarHBondContact O-N 3Å; V360-N363 PolarHBondContact O-N 2.89Å; N363-N366 PolarHBondContact O-N 2.94Å; N363-K367 WeakPolarHBondContact O-CG 3.28Å; N363-K367 PolarHBondContact O-N 3.12Å |
| 364 | I | 98 | Very high | 97.5 | Very high | 78 Ų | 78 | 103.4 Ų | 103.4 | 40% | 0.4 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.9 | -38.2 | 173.6 | -68.8 | 166.3 | 0 | 0 | 0 | 111.4 | V360 D361 I362 K368 | V360-I364 HydrophobicContact CG1-CD1 3.77Å; V360-I364 HydrophobicContact CG1-CG1 4.48Å; V360-I364 VanDerWaalsContact O-CG1 3.3Å; V360-I364 WeakPolarHBondContact O-CG1 3.33Å; V360-I364 PolarHBondContact O-N 2.92Å; D361-I364 PolarHBondContact O-N 3.17Å; I362-I364 VanDerWaalsContact C-N 3.33Å; I362-I364 PolarHBondContact O-N 3.47Å; I364-K368 HydrophobicContact CG2-CD 4.36Å; I364-K368 VanDerWaalsContact O-CG 3.32Å; I364-K368 WeakPolarHBondContact O-CG 3.48Å; I364-K368 PolarHBondContact O-N 3.46Å; I364-K368 VanDerWaalsContact O-N 3.12Å |
| 365 | Q | 98.1 | Very high | 97.5 | Very high | 130 Ų | 130 | 105.2 Ų | 105.2 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.7 | -42.5 | 174.7 | -73.9 | -178.4 | 6.4 | 0 | 0 | 112.2 | D361 I362 K368 L369 | D361-Q365 WeakPolarHBondContact O-CG 3.32Å; D361-Q365 PolarHBondContact O-N 3.08Å; I362-Q365 PolarHBondContact O-N 3.01Å; I362-Q365 VanDerWaalsContact O-N 3.15Å; Q365-K368 WeakPolarHBondContact O-CB 3.5Å; Q365-K368 PolarHBondContact O-N 3.18Å; Q365-L369 PolarHBondContact O-N 3.49Å |
| 366 | N | 97.7 | Very high | 97.4 | Very high | 80 Ų | 80 | 106.5 Ų | 106.5 | 43% | 0.428 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 175.5 | -72.3 | -5.7 | 0 | 0 | 0 | 111.4 | I362 N363 K368 L369 E370 | I362-N366 PolarHBondContact O-N 2.97Å; N363-N366 PolarHBondContact O-N 2.94Å; N366-K368 VanDerWaalsContact C-N 3.28Å; N366-K368 PolarHBondContact O-N 3.27Å; N366-L369 CarbonylContact O-C 3.54Å; N366-L369 WeakPolarHBondContact O-CA 3.39Å; N366-L369 VanDerWaalsContact O-CB 3.31Å; N366-L369 WeakPolarHBondContact O-CB 3.44Å; N366-L369 PolarHBondContact O-N 3.21Å; N366-E370 WeakPolarHBondContact O-CG 3.34Å; N366-E370 PolarHBondContact O-N 3.07Å |
| 367 | K | 97.9 | Very high | 97.2 | Very high | 127 Ų | 127 | 106.3 Ų | 106.3 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.8 | -33.1 | 174.9 | -73.2 | -174.8 | 177.2 | -167.9 | 0 | 113.8 | N363 S371 | N363-K367 WeakPolarHBondContact O-CG 3.28Å; N363-K367 PolarHBondContact O-N 3.12Å; K367-S371 VanDerWaalsContact O-CB 3.27Å; K367-S371 WeakPolarHBondContact O-CB 3.21Å; K367-S371 PolarHBondContact O-N 2.73Å |
| 368 | K | 98.1 | Very high | 96.9 | Very high | 141 Ų | 141 | 106 Ų | 106 | 61% | 0.613 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.8 | -37.1 | 171.5 | -73.8 | 170.7 | -179.6 | 179 | 0 | 111.8 | I364 Q365 N366 L372 | I364-K368 HydrophobicContact CG2-CD 4.36Å; I364-K368 VanDerWaalsContact O-CG 3.32Å; I364-K368 WeakPolarHBondContact O-CG 3.48Å; I364-K368 PolarHBondContact O-N 3.46Å; I364-K368 VanDerWaalsContact O-N 3.12Å; Q365-K368 WeakPolarHBondContact O-CB 3.5Å; Q365-K368 PolarHBondContact O-N 3.18Å; N366-K368 VanDerWaalsContact C-N 3.28Å; N366-K368 PolarHBondContact O-N 3.27Å; K368-L372 VanDerWaalsContact O-CB 3.25Å; K368-L372 WeakPolarHBondContact O-CB 3.23Å; K368-L372 PolarHBondContact O-N 3.32Å |
| 369 | L | 98.3 | Very high | 96.5 | Very high | 103 Ų | 103 | 102.1 Ų | 102.1 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.7 | -46.8 | 174.5 | -163.6 | 82.4 | 0 | 0 | 0 | 111.3 | Q365 N366 L372 L373 | Q365-L369 PolarHBondContact O-N 3.49Å; N366-L369 CarbonylContact O-C 3.54Å; N366-L369 WeakPolarHBondContact O-CA 3.39Å; N366-L369 VanDerWaalsContact O-CB 3.31Å; N366-L369 WeakPolarHBondContact O-CB 3.44Å; N366-L369 PolarHBondContact O-N 3.21Å; L369-L372 PolarHBondContact O-N 3.19Å; L369-L373 HydrophobicContact CD2-CD1 4.41Å; L369-L373 HydrophobicContact CG-CD1 4.21Å; L369-L373 WeakPolarHBondContact O-CB 3.47Å; L369-L373 VanDerWaalsContact O-CG 3.25Å; L369-L373 WeakPolarHBondContact O-CG 3.17Å; L369-L373 PolarHBondContact O-N 2.95Å |
| 370 | E | 97.2 | Very high | 95.5 | Very high | 118 Ų | 118 | 102 Ų | 102 | 55% | 0.551 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -56.9 | -49.1 | 174.6 | -70.8 | 162.7 | -175.1 | 0 | 0 | 111.2 | N366 L372 L373 Q374 | N366-E370 WeakPolarHBondContact O-CG 3.34Å; N366-E370 PolarHBondContact O-N 3.07Å; E370-L372 PolarHBondContact O-N 3.13Å; E370-L373 PolarHBondContact O-N 3.39Å; E370-Q374 WeakPolarHBondContact O-CB 3.15Å; E370-Q374 PolarHBondContact O-N 2.88Å |
| 371 | S | 97.5 | Very high | 94 | Very high | 73 Ų | 73 | 100.8 Ų | 100.8 | 51% | 0.51 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64 | -37.7 | 177.1 | -179.3 | 0 | 0 | 0 | 0 | 112.7 | K367 S375 | K367-S371 VanDerWaalsContact O-CB 3.27Å; K367-S371 WeakPolarHBondContact O-CB 3.21Å; K367-S371 PolarHBondContact O-N 2.73Å; S371-S375 WeakPolarHBondContact O-CB 3.43Å; S371-S375 PolarHBondContact O-N 2.87Å |
| 372 | L | 97.8 | Very high | 92.2 | Very high | 111 Ų | 111 | 100.5 Ų | 100.5 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.5 | -48.1 | 174.8 | 177.9 | 62.7 | 0 | 0 | 0 | 111.3 | K368 L369 E370 Q374 S375 M376 | K368-L372 VanDerWaalsContact O-CB 3.25Å; K368-L372 WeakPolarHBondContact O-CB 3.23Å; K368-L372 PolarHBondContact O-N 3.32Å; L369-L372 PolarHBondContact O-N 3.19Å; E370-L372 PolarHBondContact O-N 3.13Å; L372-Q374 VanDerWaalsContact C-N 3.35Å; L372-Q374 PolarHBondContact O-N 3.48Å; L372-S375 PolarHBondContact O-N 3.33Å; L372-S375 PolarHBondContact O-OG 2.93Å; L372-M376 PolarHBondContact O-N 3.19Å |
| 373 | L | 96.6 | Very high | 90.1 | Very high | 90 Ų | 90 | 100.7 Ų | 100.7 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 176.3 | -72.1 | 168.8 | 0 | 0 | 0 | 111.2 | L369 E370 S375 M376 E377 | L369-L373 HydrophobicContact CD2-CD1 4.41Å; L369-L373 HydrophobicContact CG-CD1 4.21Å; L369-L373 WeakPolarHBondContact O-CB 3.47Å; L369-L373 VanDerWaalsContact O-CG 3.25Å; L369-L373 WeakPolarHBondContact O-CG 3.17Å; L369-L373 PolarHBondContact O-N 2.95Å; E370-L373 PolarHBondContact O-N 3.39Å; L373-S375 PolarHBondContact O-N 2.99Å; L373-M376 HydrophobicContact CD2-CE 3.93Å; L373-M376 WeakPolarHBondContact O-CB 3.49Å; L373-M376 PolarHBondContact O-N 3.4Å; L373-E377 WeakPolarHBondContact O-CB 3.23Å; L373-E377 PolarHBondContact O-N 2.72Å |
| 374 | Q | 95.9 | Very high | 87.9 | Confident | 123 Ų | 123 | 102.5 Ų | 102.5 | 58% | 0.575 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64 | -39 | 176.2 | -168 | 177.8 | 33.8 | 0 | 0 | 111.9 | E370 L372 M376 E377 M378 | E370-Q374 WeakPolarHBondContact O-CB 3.15Å; E370-Q374 PolarHBondContact O-N 2.88Å; L372-Q374 VanDerWaalsContact C-N 3.35Å; L372-Q374 PolarHBondContact O-N 3.48Å; Q374-M376 VanDerWaalsContact C-N 3.32Å; Q374-M376 PolarHBondContact O-N 3.02Å; Q374-E377 PolarHBondContact O-N 3.4Å; Q374-M378 WeakPolarHBondContact O-CB 3.42Å; Q374-M378 VanDerWaalsContact O-CG 3.26Å; Q374-M378 WeakPolarHBondContact O-CG 3.3Å; Q374-M378 PolarHBondContact O-N 3.05Å |
| 375 | S | 95.3 | Very high | 85.8 | Confident | 66 Ų | 66 | 106.3 Ų | 106.3 | 46% | 0.462 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.5 | -35.7 | 175.8 | 76.6 | 0 | 0 | 0 | 0 | 112.6 | S371 L372 L373 A379 | S371-S375 WeakPolarHBondContact O-CB 3.43Å; S371-S375 PolarHBondContact O-N 2.87Å; L372-S375 PolarHBondContact O-N 3.33Å; L372-S375 PolarHBondContact O-OG 2.93Å; L373-S375 PolarHBondContact O-N 2.99Å; S375-A379 WeakPolarHBondContact O-CB 3.5Å; S375-A379 PolarHBondContact O-N 2.87Å |
| 376 | M | 95.1 | Very high | 83.3 | Confident | 114 Ų | 114 | 107 Ų | 107 | 56% | 0.562 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70 | -41.8 | 174.6 | -175.7 | 179.9 | 70.1 | 0 | 0 | 111.1 | L372 L373 Q374 A379 H380 | L372-M376 PolarHBondContact O-N 3.19Å; L373-M376 HydrophobicContact CD2-CE 3.93Å; L373-M376 WeakPolarHBondContact O-CB 3.49Å; L373-M376 PolarHBondContact O-N 3.4Å; Q374-M376 VanDerWaalsContact C-N 3.32Å; Q374-M376 PolarHBondContact O-N 3.02Å; M376-A379 PolarHBondContact O-N 2.67Å; M376-H380 WeakPolarHBondContact O-CB 3.32Å; M376-H380 PolarHBondContact O-N 3.03Å |
| 377 | E | 93.1 | Very high | 81.1 | Confident | 130 Ų | 130 | 112 Ų | 112 | 61% | 0.607 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.4 | -42.9 | 173.6 | -178.2 | 177.2 | -157.5 | 0 | 0 | 111.8 | L373 Q374 H380 S381 | L373-E377 WeakPolarHBondContact O-CB 3.23Å; L373-E377 PolarHBondContact O-N 2.72Å; Q374-E377 PolarHBondContact O-N 3.4Å; E377-H380 PolarHBondContact O-N 3Å; E377-S381 VanDerWaalsContact O-CB 3.3Å; E377-S381 WeakPolarHBondContact O-CB 3.49Å; E377-S381 PolarHBondContact O-N 3.38Å; E377-S381 PolarHBondContact O-OG 3.23Å |
| 378 | M | 90.7 | Very high | 79 | Confident | 128 Ų | 128 | 112 Ų | 112 | 63% | 0.631 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.2 | -39.8 | 175.5 | -70.2 | -63.1 | -67.4 | 0 | 0 | 112.1 | Q374 H380 S381 G382 | Q374-M378 WeakPolarHBondContact O-CB 3.42Å; Q374-M378 VanDerWaalsContact O-CG 3.26Å; Q374-M378 WeakPolarHBondContact O-CG 3.3Å; Q374-M378 PolarHBondContact O-N 3.05Å; M378-H380 VanDerWaalsContact C-N 3.31Å; M378-H380 PolarHBondContact O-N 3.18Å; M378-S381 WeakPolarHBondContact CA-OG 3.46Å; M378-S381 PolarHBondContact O-OG 2.98Å; M378-G382 PolarHBondContact O-N 2.89Å |
| 379 | A | 89.8 | Confident | 76.6 | Confident | 76 Ų | 76 | 110.2 Ų | 110.2 | 63% | 0.628 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64 | -35.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S375 M376 | S375-A379 WeakPolarHBondContact O-CB 3.5Å; S375-A379 PolarHBondContact O-N 2.87Å; M376-A379 PolarHBondContact O-N 2.67Å |
| 380 | H | 77.6 | Confident | 74.5 | Confident | 143 Ų | 143 | 112.6 Ų | 112.6 | 66% | 0.662 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -81.9 | -35.9 | -178.4 | -138.6 | -53.6 | 0 | 0 | 0 | 113.4 | M376 E377 M378 S383 | M376-H380 WeakPolarHBondContact O-CB 3.32Å; M376-H380 PolarHBondContact O-N 3.03Å; E377-H380 PolarHBondContact O-N 3Å; M378-H380 VanDerWaalsContact C-N 3.31Å; M378-H380 PolarHBondContact O-N 3.18Å; H380-S383 PolarHBondContact O-N 3.48Å |
| 381 | S | 66.4 | Low | 71.8 | Confident | 51 Ų | 51 | 114.5 Ų | 114.5 | 36% | 0.357 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -78.3 | -29.7 | 177.5 | 56.8 | 0 | 0 | 0 | 0 | 112.8 | E377 M378 S383 L384 R385 | E377-S381 VanDerWaalsContact O-CB 3.3Å; E377-S381 WeakPolarHBondContact O-CB 3.49Å; E377-S381 PolarHBondContact O-N 3.38Å; E377-S381 PolarHBondContact O-OG 3.23Å; M378-S381 WeakPolarHBondContact CA-OG 3.46Å; M378-S381 PolarHBondContact O-OG 2.98Å; S381-S383 PolarHBondContact O-N 3.24Å; S381-L384 PolarHBondContact O-N 2.78Å; S381-R385 PolarHBondContact O-N 3.17Å |
| 382 | G | 59.9 | Low | 69 | Low | 55 Ų | 55 | 120.1 Ų | 120.1 | 57% | 0.567 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -57.5 | -29.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | M378 | M378-G382 PolarHBondContact O-N 2.89Å |
| 383 | S | 53 | Low | 66.4 | Low | 91 Ų | 91 | 120.2 Ų | 120.2 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -11.6 | 174.5 | -170.5 | 0 | 0 | 0 | 0 | 114.5 | H380 S381 | H380-S383 PolarHBondContact O-N 3.48Å; S381-S383 PolarHBondContact O-N 3.24Å |
| 384 | L | 51.1 | Low | 64 | Low | 124 Ų | 124 | 121 Ų | 121 | 65% | 0.649 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | -11.2 | -172.7 | -161.1 | 138.2 | 0 | 0 | 0 | 113.1 | S381 | S381-L384 PolarHBondContact O-N 2.78Š|
| 385 | R | 54 | Low | 60.8 | Low | 159 Ų | 159 | 122.5 Ų | 122.5 | 60% | 0.6 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -78.5 | -21.6 | 172.7 | -80.8 | -82.4 | 79.4 | -141 | 5.8 | 114 | S381 | S381-R385 PolarHBondContact O-N 3.17Š|
| 386 | D | 47.4 | Very low | 58.3 | Low | 143 Ų | 143 | 124.9 Ų | 124.9 | 77% | 0.765 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -80.4 | -30.7 | -174.4 | -141 | 35.2 | 0 | 0 | 0 | 113.1 | ||
| 387 | E | 50.7 | Low | 55.9 | Low | 186 Ų | 186 | 124.6 Ų | 124.6 | 87% | 0.869 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -85.9 | 2.6 | 174.9 | -77.2 | -150.4 | 141.6 | 0 | 0 | 114.8 | ||
| 388 | L | 53.1 | Low | 52.8 | Low | 126 Ų | 126 | 126.4 Ų | 126.4 | 66% | 0.66 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -118.8 | 37.9 | 177 | -138.2 | 81.5 | 0 | 0 | 0 | 112.7 | ||
| 389 | C | 48.5 | Very low | 50.3 | Low | 104 Ų | 104 | 129.6 Ų | 129.6 | 70% | 0.703 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -106.9 | -0.1 | 178.3 | -155.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 390 | L | 54.8 | Low | 47.6 | Very low | 154 Ų | 154 | 131 Ų | 131 | 81% | 0.806 | 72% | 0.72 | S | S | * | * | trans | -135.3 | 90.7 | 179 | -68.5 | 174.4 | 0 | 0 | 0 | 110.9 | ||||
| 391 | D | 40.2 | Very low | 45.5 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 84% | 0.84 | 73% | 0.726 | S | S | * | * | -167 | 157.1 | 116.4 | -107.2 | -28 | 0 | 0 | 0 | 114 | |||||
| 392 | F | 37.5 | Very low | 43.7 | Very low | 191 Ų | 191 | 133.7 Ų | 133.7 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | -75 | 173.5 | -172.5 | -78.4 | -113.4 | 0 | 0 | 0 | 114.1 | ||||
| 393 | P | 43.8 | Very low | 42.5 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | cis | -132.9 | -169 | -24.3 | 32.5 | -11.4 | 0 | 0 | 0 | 113.6 | ||||
| 394 | C | 45.4 | Very low | 41.7 | Very low | 107 Ų | 107 | 141 Ų | 141 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | trans | -48.2 | 132.9 | 165.8 | -172.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 395 | D | 29.3 | Very low | 41.8 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | -172.7 | 154 | 114.5 | -96.4 | -16.2 | 0 | 0 | 0 | 112.7 | |||||
| 396 | S | 42.1 | Very low | 41.7 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | trans | -137.3 | 123.1 | 172 | 177.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 397 | P | 46.3 | Very low | 40.9 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -134 | 130.2 | 150 | 34.3 | -20.6 | 0 | 0 | 0 | 114.1 | ||||
| 398 | E | 28.1 | Very low | 39.9 | Very low | 168 Ų | 168 | 136 Ų | 136 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | 46.6 | 102.7 | 129.5 | -51.9 | -160.8 | 108.6 | 0 | 0 | 121.2 | |||||
| 399 | K | 37.3 | Very low | 39.1 | Very low | 195 Ų | 195 | 134.3 Ų | 134.3 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | 31 | 114.5 | 116.8 | -61 | 170.9 | -178.7 | 167.9 | 0 | 118.6 | |||||
| 400 | S | 33.2 | Very low | 38.4 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | 178.6 | 158.8 | 128.9 | 52.1 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 401 | L | 33.6 | Very low | 37.3 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | cis | -131.7 | 123.2 | 10.7 | -72.4 | 163.9 | 0 | 0 | 0 | 108.1 | ||||
| 402 | T | 29.4 | Very low | 36.7 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 61% | 0.613 | 76% | 0.763 | S | S | * | * | 61.7 | 113.1 | 79.2 | 65.1 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 403 | L | 33.6 | Very low | 36.4 | Very low | 170 Ų | 170 | 128.8 Ų | 128.8 | 89% | 0.89 | 75% | 0.75 | S | S | * | * | trans | -178.3 | 124.5 | 147.4 | -102.2 | 153.4 | 0 | 0 | 0 | 110.3 | ||||
| 404 | N | 36.7 | Very low | 35.9 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 68% | 0.684 | 76% | 0.758 | S | S | * | * | cis | -155.9 | 167.4 | -40.9 | -108.8 | -9.5 | 0 | 0 | 0 | 110.5 | ||||
| 405 | P | 53.2 | Low | 35 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | trans | -96.3 | -155.7 | -170.6 | 44.5 | -40.8 | 0 | 0 | 0 | 111.3 | ||||
| 406 | P | 50.9 | Low | 35.1 | Very low | 116 Ų | 116 | 131 Ų | 131 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | cis | -141.4 | -178.1 | -0.7 | 43.5 | -24.9 | 0 | 0 | 0 | 117.3 | ||||
| 407 | L | 31.1 | Very low | 34.6 | Very low | 152 Ų | 152 | 133 Ų | 133 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | 158 | 96.7 | 123.5 | -162 | 70.7 | 0 | 0 | 0 | 109.3 | |||||
| 408 | D | 30 | Very low | 33.7 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | 90.4 | 145.6 | 94.1 | -132.3 | 48.3 | 0 | 0 | 0 | 112.5 | |||||
| 409 | T | 36.6 | Very low | 33.7 | Very low | 92 Ų | 92 | 134.6 Ų | 134.6 | 56% | 0.564 | 75% | 0.749 | S | S | * | * | cis | -156.3 | 155.6 | 3.5 | -17.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 410 | M | 33.8 | Very low | 33.2 | Very low | 174 Ų | 174 | 130.9 Ų | 130.9 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | trans | 70.8 | 146.1 | 154.6 | -59.8 | -44.9 | 177.6 | 0 | 0 | 125 | ||||
| 411 | A | 32.1 | Very low | 33.1 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 76% | 0.76 | 75% | 0.746 | S | S | * | * | trans | 65.8 | 124.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 412 | D | 26.8 | Very low | 33 | Very low | 169 Ų | 169 | 126.7 Ų | 126.7 | 90% | 0.904 | 74% | 0.743 | S | S | * | * | cis | 79.9 | 119.5 | 39.8 | -165.6 | 45.3 | 0 | 0 | 0 | 113.1 | ||||
| 413 | G | 31.3 | Very low | 33.1 | Very low | 55 Ų | 55 | 131.9 Ų | 131.9 | 57% | 0.567 | 76% | 0.76 | S | S | * | * | cis | -178.6 | 177.9 | -2.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 414 | L | 32.6 | Very low | 32.9 | Very low | 171 Ų | 171 | 126.8 Ų | 126.8 | 90% | 0.895 | 75% | 0.749 | S | S | * | * | trans | 66.7 | 138 | 177.1 | -49.5 | 179.7 | 0 | 0 | 0 | 115.2 | ||||
| 415 | S | 26.8 | Very low | 32.6 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | cis | 115.3 | 139.4 | 8.2 | 73.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 416 | L | 32.4 | Very low | 31.5 | Very low | 147 Ų | 147 | 127.5 Ų | 127.5 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | 106 | 138.9 | 156.6 | -163.1 | 62.7 | 0 | 0 | 0 | 118.7 | ||||
| 417 | E | 29.8 | Very low | 30.7 | Very low | 157 Ų | 157 | 131 Ų | 131 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | 52 | 139.3 | 167.5 | -72.5 | 162.7 | 126.7 | 0 | 0 | 118.6 | ||||
| 418 | E | 27.7 | Very low | 30.6 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | cis | 98.3 | 125.4 | 24.8 | -169.7 | 170.9 | 166.1 | 0 | 0 | 115.3 | ||||
| 419 | Q | 28.8 | Very low | 30.5 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 73% | 0.729 | 75% | 0.746 | S | S | * | * | trans | 70 | 136.3 | 160.5 | -84 | -173.2 | 71.2 | 0 | 0 | 122.8 | ||||
| 420 | V | 27.3 | Very low | 30.4 | Very low | 117 Ų | 117 | 134 Ų | 134 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | trans | 72.4 | 108.3 | 135 | 174.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 421 | A | 30.5 | Very low | 30.2 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | trans | 59.5 | 168.2 | 134.9 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 422 | G | 31.1 | Very low | 30.1 | Very low | 69 Ų | 69 | 131.3 Ų | 131.3 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | 90.4 | 108.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 423 | E | 32.4 | Very low | 30.4 | Very low | 208 Ų | 208 | 130.1 Ų | 130.1 | 97% | 0.972 | 75% | 0.748 | S | S | * | * | cis | 71.1 | 120.8 | 49 | -165.1 | 179.3 | -166.2 | 0 | 0 | 113.8 | ||||
| 424 | G | 29.1 | Very low | 30.5 | Very low | 63 Ų | 63 | 132.3 Ų | 132.3 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | trans | 127.7 | 132.5 | 154.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 425 | V | 31 | Very low | 31.2 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | trans | 59.8 | 88 | 147 | -163.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 426 | D | 28.8 | Very low | 31.8 | Very low | 115 Ų | 115 | 131 Ų | 131 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | 61.5 | 140.2 | 73.6 | -161.8 | 21.5 | 0 | 0 | 0 | 114.9 | |||||
| 427 | R | 34.6 | Very low | 31.9 | Very low | 189 Ų | 189 | 132 Ų | 132 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | 72 | 154.2 | 175.3 | -65.5 | -171.3 | 172 | 61.3 | 24 | 119.8 | ||||
| 428 | E | 28.7 | Very low | 32 | Very low | 146 Ų | 146 | 127 Ų | 127 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | cis | -176.9 | 125.2 | -23.7 | -178.8 | 177.9 | 155.5 | 0 | 0 | 108.1 | ||||
| 429 | L | 29.3 | Very low | 32.5 | Very low | 144 Ų | 144 | 126.3 Ų | 126.3 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | 172.7 | 117.5 | 135.9 | -113.9 | 87.8 | 0 | 0 | 0 | 114.5 | ||||
| 430 | L | 33.4 | Very low | 32.8 | Very low | 148 Ų | 148 | 126.4 Ų | 126.4 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | 57 | 138.4 | 122 | -92.2 | 170.7 | 0 | 0 | 0 | 125.1 | |||||
| 431 | V | 30.2 | Very low | 33.1 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | trans | 72 | 129.8 | 162.5 | -172.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 432 | G | 29.4 | Very low | 33.4 | Very low | 72 Ų | 72 | 132.9 Ų | 132.9 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | -173.3 | -35.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 433 | D | 33.4 | Very low | 33.9 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | 62.8 | 131.8 | 162.2 | -129.7 | 65.8 | 0 | 0 | 0 | 120.9 | ||||
| 434 | S | 34.3 | Very low | 34.2 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | 70.1 | 146.4 | 142.8 | -81.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 435 | I | 46.3 | Very low | 34.4 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | cis | -132.3 | 153.6 | 2.6 | -59.5 | -177.1 | 0 | 0 | 0 | 109.9 | ||||
| 436 | A | 38.8 | Very low | 34.7 | Very low | 83 Ų | 83 | 140.3 Ų | 140.3 | 69% | 0.686 | 77% | 0.774 | S | S | * | * | trans | -71.6 | 160.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 437 | D | 34.4 | Very low | 34.8 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | -168.5 | 150.2 | 108.8 | -123.7 | 9.8 | 0 | 0 | 0 | 110.2 | |||||
| 438 | G | 32.2 | Very low | 34.5 | Very low | 53 Ų | 53 | 133.2 Ų | 133.2 | 55% | 0.546 | 77% | 0.766 | S | S | . | * | cis | 139.6 | 62.8 | -5.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 439 | T | 37.8 | Very low | 34.4 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | trans | -157.2 | 148.8 | 163.6 | -2.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 440 | D | 36.3 | Very low | 34.2 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | 68.1 | 65.7 | 175.3 | -65.9 | 5 | 0 | 0 | 0 | 119.1 | ||||
| 441 | L | 33.7 | Very low | 33.9 | Very low | 139 Ų | 139 | 129.4 Ų | 129.4 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | trans | -148.6 | 79.9 | 139.1 | -166.6 | 68.3 | 0 | 0 | 0 | 112.6 | ||||
| 442 | F | 37.2 | Very low | 33.7 | Very low | 214 Ų | 214 | 131 Ų | 131 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -142.4 | 51 | 168.3 | -73.4 | -62.7 | 0 | 0 | 0 | 112.6 | ||
| 443 | D | 40.4 | Very low | 33.5 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -158.7 | 33.2 | 152.7 | -148.7 | 19.3 | 0 | 0 | 0 | 115.5 | ||
| 444 | E | 38.9 | Very low | 33.1 | Very low | 147 Ų | 147 | 130.2 Ų | 130.2 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | trans | -146.9 | 73.4 | 171.9 | -142.3 | 175.3 | 156.8 | 0 | 0 | 114.9 | T447 | E444-T447 HydrophobicContact CG-CG2 3.9Å; E444-T447 WeakPolarHBondContact O-CG2 3.4Å | ||
| 445 | M | 33.2 | Very low | 32.7 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 82% | 0.823 | 77% | 0.773 | S | S | * | * | trans | -132.7 | 62.8 | 150.9 | -171.2 | 149.3 | -160.7 | 0 | 0 | 111.9 | T447 | M445-T447 WeakPolarHBondContact CG-OG1 3.4Š| ||
| 446 | V | 37.6 | Very low | 31.9 | Very low | 153 Ų | 153 | 132.2 Ų | 132.2 | 93% | 0.927 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -110.5 | 66.3 | 139.3 | -175.4 | 0 | 0 | 0 | 0 | 106 | ||
| 447 | T | 31.8 | Very low | 31.3 | Very low | 59 Ų | 59 | 136.3 Ų | 136.3 | 36% | 0.362 | 78% | 0.778 | S | S | . | * | trans | -117.2 | 141.1 | -166.9 | 45.2 | 0 | 0 | 0 | 0 | 113.3 | E444 M445 | E444-T447 HydrophobicContact CG-CG2 3.9Å; E444-T447 WeakPolarHBondContact O-CG2 3.4Å; M445-T447 WeakPolarHBondContact CG-OG1 3.4Å | ||
| 448 | A | 26.5 | Very low | 30.9 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | 65.1 | 158.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 449 | T | 26.8 | Very low | 30.7 | Very low | 123 Ų | 123 | 140 Ų | 140 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | cis | -132.7 | 154.3 | 18.5 | 52.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 450 | T | 25.3 | Very low | 30.3 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | cis | 177.6 | 174.7 | 7 | 23.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 451 | T | 27.7 | Very low | 29.8 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | trans | -8.7 | 143.9 | 149.4 | -6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 452 | E | 25.6 | Very low | 29.5 | Very low | 173 Ų | 173 | 139 Ų | 139 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | cis | -165.8 | 143.3 | 39.3 | 63.1 | -151.1 | 157.9 | 0 | 0 | 112.6 | ||||
| 453 | S | 24.5 | Very low | 29.7 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 88% | 0.881 | 78% | 0.781 | S | S | * | * | 77 | 124.1 | 93.6 | -162.4 | 0 | 0 | 0 | 0 | 117 | |||||
| 454 | G | 26.3 | Very low | 29 | Very low | 72 Ų | 72 | 130.6 Ų | 130.6 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | 117.7 | 96.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 455 | D | 25.3 | Very low | 28.6 | Very low | 147 Ų | 147 | 127.8 Ų | 127.8 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | 81.1 | 106.6 | 57.9 | -170.4 | 36 | 0 | 0 | 0 | 114.3 | |||||
| 456 | L | 30.1 | Very low | 28.4 | Very low | 158 Ų | 158 | 127 Ų | 127 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | -177.5 | 158.5 | 117.7 | -103.6 | 172.6 | 0 | 0 | 0 | 114.4 | |||||
| 457 | E | 26.5 | Very low | 28 | Very low | 170 Ų | 170 | 125.5 Ų | 125.5 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -86.2 | 161.1 | 175.2 | -70.8 | -165.8 | 121.6 | 0 | 0 | 114.9 | V459 | E457-V459 PolarHBondContact O-N 3.26Š| ||
| 458 | L | 26 | Very low | 27.8 | Very low | 165 Ų | 165 | 129.6 Ų | 129.6 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -28.9 | 108.9 | 154.2 | 178.6 | 78.4 | 0 | 0 | 0 | 116.1 | ||||
| 459 | V | 27.3 | Very low | 27.9 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -141.1 | 149.7 | 155.7 | -170.8 | 0 | 0 | 0 | 0 | 110.8 | E457 | E457-V459 PolarHBondContact O-N 3.26Š| ||
| 460 | H | 29.1 | Very low | 28 | Very low | 165 Ų | 165 | 133.8 Ų | 133.8 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | -79.2 | 144.4 | -177.4 | -57.2 | -110.9 | 0 | 0 | 0 | 113.9 | ||||
| 461 | S | 25.9 | Very low | 27.9 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | 158.9 | 151.7 | 119.2 | -69.8 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 462 | T | 27.5 | Very low | 28.4 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -89.3 | -179 | 170.6 | 39.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 463 | P | 41.8 | Very low | 28.3 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | cis | -131.7 | 174.8 | -33.4 | 33.9 | -16.8 | 0 | 0 | 0 | 113.7 | ||||
| 464 | G | 26.1 | Very low | 28.4 | Very low | 76 Ų | 76 | 136.2 Ų | 136.2 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | 177 | 96.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 465 | A | 29.2 | Very low | 28.4 | Very low | 88 Ų | 88 | 141.6 Ų | 141.6 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 24.8 | 126.9 | 140.7 | 0 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 466 | N | 29.7 | Very low | 28.5 | Very low | 150 Ų | 150 | 137.7 Ų | 137.7 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | 90 | 125.3 | 125.4 | -68.3 | -0.7 | 0 | 0 | 0 | 125.1 | |||||
| 467 | V | 29 | Very low | 28.5 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | 87.5 | 121.7 | 128.4 | 165.2 | 0 | 0 | 0 | 0 | 122 | |||||
| 468 | L | 28.1 | Very low | 28.6 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | trans | 39.7 | 158 | 145.7 | -82.4 | 75.1 | 0 | 0 | 0 | 121.6 | ||||
| 469 | E | 27.6 | Very low | 28.8 | Very low | 156 Ų | 156 | 138.8 Ų | 138.8 | 73% | 0.729 | 80% | 0.795 | S | S | * | * | cis | -175.4 | -173.5 | -21.9 | -157.3 | 178.4 | -163.3 | 0 | 0 | 108 | ||||
| 470 | L | 29.1 | Very low | 28.9 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | 81.3 | 132 | 164 | -88.5 | 69.3 | 0 | 0 | 0 | 121.8 | ||||
| 471 | L | 24.4 | Very low | 28.8 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | -98.6 | -179.2 | 156.3 | -83.6 | 169.9 | 0 | 0 | 0 | 108.4 | ||||
| 472 | P | 36.6 | Very low | 29.2 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | cis | -159.7 | -157.9 | 37.8 | 46.2 | -21.4 | 0 | 0 | 0 | 118.8 | ||||
| 473 | M | 25.4 | Very low | 29.4 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 86% | 0.862 | 80% | 0.796 | S | S | * | * | trans | 72.2 | 132.5 | 162.3 | -93.4 | 170.2 | 173.4 | 0 | 0 | 119.3 | ||||
| 474 | V | 24.6 | Very low | 29 | Very low | 139 Ų | 139 | 134 Ų | 134 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | cis | 105.7 | 106.1 | 6.9 | -176.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 475 | M | 27.2 | Very low | 29.3 | Very low | 185 Ų | 185 | 139.4 Ų | 139.4 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | trans | -157.2 | 169 | 150.9 | -87.7 | -179.3 | 71.5 | 0 | 0 | 106.6 | ||||
| 476 | G | 27.7 | Very low | 29.4 | Very low | 64 Ų | 64 | 145.1 Ų | 145.1 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | cis | 114.4 | 125.9 | 6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 477 | L | 29.4 | Very low | 30.1 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | cis | -165.1 | 154.9 | 0.7 | 174.9 | 63.2 | 0 | 0 | 0 | 109.9 | ||||
| 478 | E | 29 | Very low | 30.2 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | 163.4 | 159.4 | 143.9 | -88.2 | -59.7 | 104.5 | 0 | 0 | 111.9 | ||||
| 479 | E | 30.1 | Very low | 30.2 | Very low | 190 Ų | 190 | 143.5 Ų | 143.5 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -116.8 | 157.3 | -161.2 | -65.2 | -173 | 94.8 | 0 | 0 | 117.2 | ||||
| 480 | G | 29.8 | Very low | 30.5 | Very low | 76 Ų | 76 | 142.3 Ų | 142.3 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | -166.1 | 88.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 481 | S | 26.4 | Very low | 30.6 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 51.7 | 70.9 | 154.4 | -169.4 | 0 | 0 | 0 | 0 | 120.4 | V483 | S481-V483 PolarHBondContact O-N 3.36Š| ||
| 482 | V | 33.7 | Very low | 31.5 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | trans | 22.8 | 90.4 | 142.7 | -166.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 483 | V | 32.9 | Very low | 31.6 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | -132.9 | 117.4 | 131 | 176.3 | 0 | 0 | 0 | 0 | 106.5 | S481 | S481-V483 PolarHBondContact O-N 3.36Š| ||
| 484 | V | 32.2 | Very low | 32.5 | Very low | 111 Ų | 111 | 137 Ų | 137 | 67% | 0.673 | 79% | 0.786 | S | S | * | * | trans | -103.4 | 89 | -173.1 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | R486 | V484-R486 HydrophobicContact CG1-CB 4.08Å; V484-R486 PolarHBondContact O-N 2.98Å | ||
| 485 | E | 33.2 | Very low | 33 | Very low | 190 Ų | 190 | 138.7 Ų | 138.7 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -90.4 | 92.9 | 162.8 | -170.1 | 163.3 | -140 | 0 | 0 | 108.7 | A487 | E485-A487 PolarHBondContact O-N 2.77Š| ||
| 486 | R | 32.1 | Very low | 33.7 | Very low | 208 Ų | 208 | 132.9 Ų | 132.9 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | -88.7 | 97.3 | -172.5 | -162.6 | 178.7 | -164.3 | 120 | 0.7 | 110.6 | V484 V488 | V484-R486 HydrophobicContact CG1-CB 4.08Å; V484-R486 PolarHBondContact O-N 2.98Å; R486-V488 PolarHBondContact O-N 3.27Å | ||
| 487 | A | 43.9 | Very low | 34.9 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -57.9 | 119.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | E485 | E485-A487 PolarHBondContact O-N 2.77Š| ||
| 488 | V | 29.9 | Very low | 36.2 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | trans | -104.6 | 95.9 | 174.3 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | R486 | R486-V488 PolarHBondContact O-N 3.27Š| ||
| 489 | Q | 28.6 | Very low | 37.4 | Very low | 164 Ų | 164 | 125.3 Ų | 125.3 | 77% | 0.766 | 72% | 0.719 | S | S | * | * | trans | 31 | 108.5 | 130.1 | -166.5 | 164.3 | -1.3 | 0 | 0 | 116.3 | D491 | Q489-D491 PolarHBondContact O-N 3.23Š| ||
| 490 | T | 35.4 | Very low | 38.5 | Very low | 132 Ų | 132 | 118.5 Ų | 118.5 | 81% | 0.81 | 69% | 0.693 | S | S | * | * | trans | -61.3 | 103 | 166.1 | 49.1 | 0 | 0 | 0 | 0 | 109.7 | V492 | T490-V492 PolarHBondContact O-N 3.42Š| ||
| 491 | D | 29.8 | Very low | 40 | Very low | 132 Ų | 132 | 120.4 Ų | 120.4 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | trans | -75.3 | 108 | -177 | -159.4 | 12.1 | 0 | 0 | 0 | 110.5 | Q489 V493 | Q489-D491 PolarHBondContact O-N 3.23Å; D491-V493 VanDerWaalsContact C-N 3.34Å; D491-V493 PolarHBondContact O-N 3.09Å | ||
| 492 | V | 43.8 | Very low | 41.6 | Very low | 124 Ų | 124 | 120.2 Ų | 120.2 | 75% | 0.752 | 67% | 0.67 | S | S | * | * | trans | -79 | 88.5 | 177 | 178.7 | 0 | 0 | 0 | 0 | 107.4 | T490 P494 | T490-V492 PolarHBondContact O-N 3.42Å; V492-P494 WeakPolarHBondContact O-CD 3.5Å; V492-P494 VanDerWaalsContact O-N 3.14Å | ||
| 493 | V | 38 | Very low | 43.1 | Very low | 120 Ų | 120 | 118.3 Ų | 118.3 | 73% | 0.727 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -53 | 118.6 | -177.7 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | D491 | D491-V493 VanDerWaalsContact C-N 3.34Å; D491-V493 PolarHBondContact O-N 3.09Å |
| 494 | P | 44.1 | Very low | 44.6 | Very low | 110 Ų | 110 | 117.8 Ų | 117.8 | 71% | 0.714 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 138.6 | 179.7 | 26.9 | -33.8 | 0 | 0 | 0 | 110.7 | V492 S496 | V492-P494 WeakPolarHBondContact O-CD 3.5Å; V492-P494 VanDerWaalsContact O-N 3.14Å; P494-S496 PolarHBondContact O-N 2.88Å |
| 495 | Y | 36.9 | Very low | 45.7 | Very low | 175 Ų | 175 | 117.4 Ų | 117.4 | 69% | 0.686 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -64 | 124 | 179.9 | -158.2 | -89 | 0 | 0 | 0 | 110.4 | P497 | Y495-P497 VanDerWaalsContact O-CD 3.3Å; Y495-P497 WeakPolarHBondContact O-CD 3.41Å |
| 496 | S | 40.1 | Very low | 47.2 | Very low | 62 Ų | 62 | 112.2 Ų | 112.2 | 43% | 0.434 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 118.2 | -176.6 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | P494 A498 I499 | P494-S496 PolarHBondContact O-N 2.88Å; S496-A498 PolarHBondContact O-N 3.07Å; S496-A498 VanDerWaalsContact O-N 3.13Å; S496-I499 PolarHBondContact O-N 3.38Å |
| 497 | P | 53.7 | Low | 48.6 | Very low | 86 Ų | 86 | 107 Ų | 107 | 56% | 0.558 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -59 | -29.1 | -176.7 | -26.5 | 35.9 | 0 | 0 | 0 | 114 | Y495 I499 S500 E501 | Y495-P497 VanDerWaalsContact O-CD 3.3Å; Y495-P497 WeakPolarHBondContact O-CD 3.41Å; P497-I499 PolarHBondContact O-N 3.19Å; P497-I499 VanDerWaalsContact O-N 3.16Å; P497-S500 WeakPolarHBondContact CA-OG 3.04Å; P497-S500 PolarHBondContact O-N 2.94Å; P497-S500 VanDerWaalsContact O-N 3.17Å; P497-S500 PolarHBondContact O-OG 3.42Å; P497-E501 PolarHBondContact O-N 3.35Å |
| 498 | A | 57.6 | Low | 49.4 | Very low | 59 Ų | 59 | 108 Ų | 108 | 49% | 0.488 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.9 | -24.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | S496 L502 | S496-A498 PolarHBondContact O-N 3.07Å; S496-A498 VanDerWaalsContact O-N 3.13Å; A498-L502 VanDerWaalsContact O-CB 3.28Å; A498-L502 WeakPolarHBondContact O-CB 3.48Å; A498-L502 PolarHBondContact O-N 2.68Å |
| 499 | I | 52.9 | Low | 50.5 | Low | 87 Ų | 87 | 111 Ų | 111 | 45% | 0.446 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -80.1 | -40.9 | 177.8 | -58.9 | 178.4 | 0 | 0 | 0 | 110.5 | S496 P497 L502 I503 | S496-I499 PolarHBondContact O-N 3.38Å; P497-I499 PolarHBondContact O-N 3.19Å; P497-I499 VanDerWaalsContact O-N 3.16Å; I499-L502 PolarHBondContact O-N 3.03Å; I499-I503 HydrophobicContact CG2-CD1 4.06Å; I499-I503 VanDerWaalsContact O-CG1 3.32Å; I499-I503 WeakPolarHBondContact O-CG1 3.45Å; I499-I503 PolarHBondContact O-N 2.89Å |
| 500 | S | 54.3 | Low | 51.6 | Low | 48 Ų | 48 | 110.1 Ų | 110.1 | 34% | 0.336 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.5 | -42.4 | 171.8 | 27.6 | 0 | 0 | 0 | 0 | 112.2 | P497 I503 Q504 | P497-S500 WeakPolarHBondContact CA-OG 3.04Å; P497-S500 PolarHBondContact O-N 2.94Å; P497-S500 VanDerWaalsContact O-N 3.17Å; P497-S500 PolarHBondContact O-OG 3.42Å; S500-I503 PolarHBondContact O-N 2.89Å; S500-Q504 WeakPolarHBondContact O-CB 3.48Å; S500-Q504 WeakPolarHBondContact O-CG 3.43Å; S500-Q504 PolarHBondContact O-N 3.1Å |
| 501 | E | 60 | Low | 52.1 | Low | 116 Ų | 116 | 110.6 Ų | 110.6 | 54% | 0.542 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.7 | -39 | 174.8 | -71 | 178.5 | 170.6 | 0 | 0 | 112 | P497 Q504 N505 | P497-E501 PolarHBondContact O-N 3.35Å; E501-Q504 PolarHBondContact O-N 3.46Å; E501-N505 WeakPolarHBondContact O-CB 3.38Å; E501-N505 PolarHBondContact O-N 3.06Å; E501-N505 PolarHBondContact O-ND2 2.94Å |
| 502 | L | 61.4 | Low | 52.1 | Low | 113 Ų | 113 | 110.6 Ų | 110.6 | 59% | 0.592 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.1 | -43.8 | 175.3 | -178 | 63.2 | 0 | 0 | 0 | 111.7 | A498 I499 N505 V506 | A498-L502 VanDerWaalsContact O-CB 3.28Å; A498-L502 WeakPolarHBondContact O-CB 3.48Å; A498-L502 PolarHBondContact O-N 2.68Å; I499-L502 PolarHBondContact O-N 3.03Å; L502-N505 PolarHBondContact O-N 3.4Å; L502-V506 WeakPolarHBondContact O-CG2 3.22Å; L502-V506 PolarHBondContact O-N 3.34Å |
| 503 | I | 64.8 | Low | 51.8 | Low | 90 Ų | 90 | 109.9 Ų | 109.9 | 46% | 0.462 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.6 | -43.2 | 177.8 | -68.2 | 165.8 | 0 | 0 | 0 | 110.9 | I499 S500 V506 L507 | I499-I503 HydrophobicContact CG2-CD1 4.06Å; I499-I503 VanDerWaalsContact O-CG1 3.32Å; I499-I503 WeakPolarHBondContact O-CG1 3.45Å; I499-I503 PolarHBondContact O-N 2.89Å; S500-I503 PolarHBondContact O-N 2.89Å; I503-V506 PolarHBondContact O-N 2.97Å; I503-L507 HydrophobicContact CG2-CD1 4.34Å; I503-L507 PolarHBondContact O-N 3.46Å |
| 504 | Q | 63 | Low | 51.5 | Low | 129 Ų | 129 | 110.3 Ų | 110.3 | 60% | 0.603 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.1 | -44.5 | 175.8 | -74.5 | 179.8 | -4.2 | 0 | 0 | 111.9 | S500 E501 V506 L507 Q508 | S500-Q504 WeakPolarHBondContact O-CB 3.48Å; S500-Q504 WeakPolarHBondContact O-CG 3.43Å; S500-Q504 PolarHBondContact O-N 3.1Å; E501-Q504 PolarHBondContact O-N 3.46Å; Q504-V506 VanDerWaalsContact C-N 3.27Å; Q504-V506 PolarHBondContact O-N 2.86Å; Q504-L507 PolarHBondContact O-N 3.31Å; Q504-Q508 WeakPolarHBondContact O-CB 3.31Å; Q504-Q508 PolarHBondContact O-N 3.08Å |
| 505 | N | 55.3 | Low | 51 | Low | 103 Ų | 103 | 110.7 Ų | 110.7 | 55% | 0.551 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.8 | -31.2 | 176.3 | -83.1 | -72.3 | 0 | 0 | 0 | 113.2 | E501 L502 K509 | E501-N505 WeakPolarHBondContact O-CB 3.38Å; E501-N505 PolarHBondContact O-N 3.06Å; E501-N505 PolarHBondContact O-ND2 2.94Å; L502-N505 PolarHBondContact O-N 3.4Å; N505-K509 WeakPolarHBondContact O-CB 3.37Å; N505-K509 WeakPolarHBondContact O-CG 3.36Å; N505-K509 PolarHBondContact O-N 2.82Å |
| 506 | V | 66.3 | Low | 50.7 | Low | 81 Ų | 81 | 108 Ų | 108 | 49% | 0.491 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -73.4 | -44.1 | 173.2 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | L502 I503 Q504 K509 L510 | L502-V506 WeakPolarHBondContact O-CG2 3.22Å; L502-V506 PolarHBondContact O-N 3.34Å; I503-V506 PolarHBondContact O-N 2.97Å; Q504-V506 VanDerWaalsContact C-N 3.27Å; Q504-V506 PolarHBondContact O-N 2.86Å; V506-K509 PolarHBondContact O-N 2.88Å; V506-L510 HydrophobicContact CG1-CD1 4.42Å; V506-L510 VanDerWaalsContact O-CD1 3.27Å; V506-L510 WeakPolarHBondContact O-CD1 3.34Å; V506-L510 PolarHBondContact O-N 3.28Å |
| 507 | L | 60.9 | Low | 50 | Low | 99 Ų | 99 | 109.7 Ų | 109.7 | 52% | 0.518 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.8 | -43.5 | 175.5 | -101.3 | 66.3 | 0 | 0 | 0 | 112.2 | I503 Q504 K509 L510 Q511 | I503-L507 HydrophobicContact CG2-CD1 4.34Å; I503-L507 PolarHBondContact O-N 3.46Å; Q504-L507 PolarHBondContact O-N 3.31Å; L507-K509 VanDerWaalsContact C-N 3.32Å; L507-K509 PolarHBondContact O-N 3.48Å; L507-L510 CarbonylContact O-C 3.6Å; L507-L510 PolarHBondContact O-N 3.49Å; L507-Q511 PolarHBondContact O-N 3.24Å |
| 508 | Q | 59.9 | Low | 48.8 | Very low | 119 Ų | 119 | 113.4 Ų | 113.4 | 56% | 0.556 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -58.2 | -45.3 | 177.5 | -159.6 | 76 | 39.5 | 0 | 0 | 110.8 | Q504 L510 Q511 | Q504-Q508 WeakPolarHBondContact O-CB 3.31Å; Q504-Q508 PolarHBondContact O-N 3.08Å; Q508-L510 PolarHBondContact O-N 2.69Å; Q508-L510 VanDerWaalsContact O-N 3.16Å; Q508-Q511 PolarHBondContact O-N 3.29Å |
| 509 | K | 54.7 | Low | 47.3 | Very low | 183 Ų | 183 | 115.1 Ų | 115.1 | 80% | 0.796 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -9.7 | 175.7 | -80.9 | -172.3 | 172.3 | -174.8 | 0 | 115.2 | N505 V506 L507 | N505-K509 WeakPolarHBondContact O-CB 3.37Å; N505-K509 WeakPolarHBondContact O-CG 3.36Å; N505-K509 PolarHBondContact O-N 2.82Å; V506-K509 PolarHBondContact O-N 2.88Å; L507-K509 VanDerWaalsContact C-N 3.32Å; L507-K509 PolarHBondContact O-N 3.48Å |
| 510 | L | 50.1 | Low | 46.1 | Very low | 145 Ų | 145 | 116.2 Ų | 116.2 | 76% | 0.759 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 0.4 | 171.9 | -90.2 | 78 | 0 | 0 | 0 | 112.9 | V506 L507 Q508 | V506-L510 HydrophobicContact CG1-CD1 4.42Å; V506-L510 VanDerWaalsContact O-CD1 3.27Å; V506-L510 WeakPolarHBondContact O-CD1 3.34Å; V506-L510 PolarHBondContact O-N 3.28Å; L507-L510 CarbonylContact O-C 3.6Å; L507-L510 PolarHBondContact O-N 3.49Å; Q508-L510 PolarHBondContact O-N 2.69Å; Q508-L510 VanDerWaalsContact O-N 3.16Å |
| 511 | Q | 45.8 | Very low | 45.7 | Very low | 142 Ų | 142 | 119 Ų | 119 | 66% | 0.664 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -124 | 17.2 | -174.1 | -72.8 | -164.6 | -13.4 | 0 | 0 | 115.6 | L507 Q508 P513 | L507-Q511 PolarHBondContact O-N 3.24Å; Q508-Q511 PolarHBondContact O-N 3.29Å; Q511-P513 VanDerWaalsContact C-CD 3.43Å; Q511-P513 WeakPolarHBondContact O-CD 3.44Å |
| 512 | D | 30.3 | Very low | 44.1 | Very low | 131 Ų | 131 | 120 Ų | 120 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | trans | -98.4 | 89.2 | 167.6 | -81 | -34.9 | 0 | 0 | 0 | 112 | ||||
| 513 | P | 37.4 | Very low | 42.6 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 71% | 0.714 | 69% | 0.693 | S | S | * | * | trans | -74.1 | 134.1 | 158.1 | 31.9 | -31.9 | 0 | 0 | 0 | 109.6 | Q511 P515 | Q511-P513 VanDerWaalsContact C-CD 3.43Å; Q511-P513 WeakPolarHBondContact O-CD 3.44Å; P513-P515 WeakPolarHBondContact O-CD 3.38Å | ||
| 514 | C | 32.9 | Very low | 41 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 87% | 0.865 | 71% | 0.709 | S | S | * | * | trans | -61.2 | 126.9 | 177.8 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | S516 | C514-S516 PolarHBondContact O-N 2.94Š| ||
| 515 | P | 33.2 | Very low | 39.4 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | trans | -85.6 | 111.8 | -175.4 | 31.6 | -33.9 | 0 | 0 | 0 | 113 | P513 | P513-P515 WeakPolarHBondContact O-CD 3.38Š| ||
| 516 | S | 29.4 | Very low | 39.1 | Very low | 119 Ų | 119 | 126 Ų | 126 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | trans | 66.7 | 155.7 | 154.6 | -51.8 | 0 | 0 | 0 | 0 | 117.1 | C514 | C514-S516 PolarHBondContact O-N 2.94Š| ||
| 517 | S | 26.1 | Very low | 37.2 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | cis | -153.3 | 168.3 | 9.9 | -152.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 518 | L | 29 | Very low | 35.7 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | trans | 6.7 | 136.3 | 152.9 | -64.4 | 160.5 | 0 | 0 | 0 | 118.1 | ||||
| 519 | A | 26.6 | Very low | 34.3 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | cis | -161.1 | 179.6 | 41.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 520 | S | 27.7 | Very low | 33.1 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | trans | -88.5 | -175.2 | 175.2 | 61.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 521 | P | 43.9 | Very low | 31.9 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | cis | -136.5 | -156 | 0.4 | 40.7 | -19.3 | 0 | 0 | 0 | 114.7 | ||||
| 522 | D | 27.9 | Very low | 31.1 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | 92.6 | 112.3 | 152.1 | -78.7 | 22.6 | 0 | 0 | 0 | 123 | ||||
| 523 | E | 30.3 | Very low | 31.8 | Very low | 160 Ų | 160 | 130.9 Ų | 130.9 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | 69.1 | 141.4 | 129.8 | -59.8 | -60.5 | 84.8 | 0 | 0 | 125.1 | |||||
| 524 | S | 30.8 | Very low | 31.3 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | 83.9 | 119.8 | 150.8 | 66 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 525 | E | 28.4 | Very low | 31.2 | Very low | 181 Ų | 181 | 131.4 Ų | 131.4 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -66.8 | 172.2 | 147.3 | -87.9 | -171.5 | 124 | 0 | 0 | 112 | ||||
| 526 | P | 49.7 | Very low | 31 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | cis | -140.2 | -171.8 | -27.5 | 34.8 | -14.2 | 0 | 0 | 0 | 114.1 | ||||
| 527 | D | 26 | Very low | 31 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | 87.9 | 153.4 | 138.8 | -140.3 | -7.7 | 0 | 0 | 0 | 122.7 | ||||
| 528 | S | 28.9 | Very low | 31.1 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | 81.5 | 168.5 | 153.9 | -76.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 529 | M | 32.3 | Very low | 31.1 | Very low | 160 Ų | 160 | 132 Ų | 132 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | trans | -99.9 | 174 | -148.5 | -65.8 | 179.3 | 55.9 | 0 | 0 | 117.1 | ||||
| 530 | E | 28.8 | Very low | 31.3 | Very low | 169 Ų | 169 | 133.3 Ų | 133.3 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | 66.5 | 119.4 | 151.6 | -80.2 | 179 | 164.2 | 0 | 0 | 120.3 | ||||
| 531 | S | 24.7 | Very low | 31.5 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | 170.2 | 154.3 | 102.2 | 47.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 532 | F | 29.5 | Very low | 30.6 | Very low | 196 Ų | 196 | 135.3 Ų | 135.3 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | -87.9 | 177.6 | 158.6 | -68.8 | -82.4 | 0 | 0 | 0 | 108.3 | ||||
| 533 | P | 43.5 | Very low | 30.7 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | cis | -156.5 | -162 | 29.2 | 38.8 | -11.8 | 0 | 0 | 0 | 118.4 | ||||
| 534 | E | 28.7 | Very low | 30.9 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | 100.9 | 150.1 | 136.2 | -128.9 | 59 | -103.7 | 0 | 0 | 122.3 | ||||
| 535 | S | 29.6 | Very low | 31.6 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | 78.4 | 110.3 | 176 | -45.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 536 | L | 29.3 | Very low | 31.5 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | cis | 62.5 | 137.8 | 24.5 | -56.2 | 175.6 | 0 | 0 | 0 | 113.4 | ||||
| 537 | S | 29.4 | Very low | 30.9 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | cis | -160.1 | -165 | 9.5 | -152.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 538 | A | 27.8 | Very low | 32.2 | Very low | 83 Ų | 83 | 137.8 Ų | 137.8 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | trans | 83.8 | 137.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 539 | L | 28.9 | Very low | 32 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | cis | -150.6 | 168.8 | -4.5 | -145.9 | 95.3 | 0 | 0 | 0 | 112.1 | ||||
| 540 | V | 30.5 | Very low | 32 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 75% | 0.745 | 77% | 0.774 | S | S | * | * | trans | -98.1 | 174.9 | 175.6 | -93.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 541 | V | 31.9 | Very low | 32.1 | Very low | 122 Ų | 122 | 134 Ų | 134 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | cis | -142.7 | -161.2 | 25.2 | -132.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 542 | D | 25.2 | Very low | 32.5 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | cis | -156.6 | -170.6 | 12.5 | -140.9 | -52 | 0 | 0 | 0 | 112.6 | ||||
| 543 | L | 29.9 | Very low | 32.5 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | -98.1 | -174.7 | 175.7 | -55.4 | 177.1 | 0 | 0 | 0 | 111.7 | ||||
| 544 | T | 36.1 | Very low | 31.8 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | cis | -152.4 | 163 | 6.4 | -6.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 545 | P | 43.6 | Very low | 31.6 | Very low | 125 Ų | 125 | 134 Ų | 134 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | trans | -95.6 | 163 | -169.3 | 37.5 | -35.7 | 0 | 0 | 0 | 116 | ||||
| 546 | R | 26.9 | Very low | 32.3 | Very low | 255 Ų | 255 | 134.4 Ų | 134.4 | 96% | 0.962 | 77% | 0.774 | S | S | * | * | trans | -143.6 | 153 | 166 | -162.5 | 168.3 | -177.4 | 167.4 | 1.3 | 112.1 | ||||
| 547 | N | 36.6 | Very low | 32.2 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -88.7 | -176.4 | -167.4 | -135.1 | -0.1 | 0 | 0 | 0 | 113.1 | ||||
| 548 | P | 54.6 | Low | 32.1 | Very low | 91 Ų | 91 | 135.4 Ų | 135.4 | 59% | 0.591 | 77% | 0.77 | S | S | * | * | -124.5 | -150.7 | -126.1 | 42.2 | -21.7 | 0 | 0 | 0 | 113.7 | |||||
| 549 | N | 25.3 | Very low | 32 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | 108 | 67.5 | 163.9 | -55.2 | -58.8 | 0 | 0 | 0 | 118.9 | ||||
| 550 | S | 31.7 | Very low | 32.9 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | -161 | 125.8 | 139.3 | 46.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 551 | A | 29.9 | Very low | 32.5 | Very low | 88 Ų | 88 | 134.8 Ų | 134.8 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | cis | 87.6 | 121.7 | 26.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 552 | I | 32.8 | Very low | 32.1 | Very low | 152 Ų | 152 | 133 Ų | 133 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | 87.9 | 115.3 | 147.8 | -66.6 | 166 | 0 | 0 | 0 | 118.9 | ||||
| 553 | L | 30.1 | Very low | 32.2 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 70.4 | 154.6 | 158.7 | -63.7 | 168.9 | 0 | 0 | 0 | 117.4 | ||||
| 554 | L | 28.3 | Very low | 32.2 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | cis | -135.4 | 165.1 | 25.9 | -71.8 | 156.7 | 0 | 0 | 0 | 115.1 | ||||
| 555 | S | 25.9 | Very low | 31.9 | Very low | 100 Ų | 100 | 134 Ų | 134 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -123.8 | -176 | 152.6 | 77.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 556 | P | 42.7 | Very low | 31.2 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | cis | -123.6 | -166.5 | 25.3 | 21.6 | 6.6 | 0 | 0 | 0 | 112.7 | ||||
| 557 | V | 28 | Very low | 31.3 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 67% | 0.667 | 76% | 0.762 | S | S | * | * | -179.2 | 115.6 | 72.1 | 139.1 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 558 | E | 27.9 | Very low | 31.1 | Very low | 175 Ų | 175 | 127.5 Ų | 127.5 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | 103.2 | 167.9 | 100.4 | -69.4 | -177.8 | 152 | 0 | 0 | 115.3 | |||||
| 559 | T | 25.7 | Very low | 30.1 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | trans | -151.7 | -168.1 | -160 | 66.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 560 | P | 47.6 | Very low | 30.5 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | cis | -138.4 | -161.3 | -8.4 | 41.5 | -21.7 | 0 | 0 | 0 | 115.2 | ||||
| 561 | S | 21.2 | Very low | 30.9 | Very low | 117 Ų | 117 | 127 Ų | 127 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | 97.3 | 148.4 | 160.2 | 79.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 562 | A | 25.2 | Very low | 31.3 | Very low | 85 Ų | 85 | 132.2 Ų | 132.2 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | cis | -168.5 | 144 | -29.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 563 | N | 25.6 | Very low | 31.5 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 156.7 | 113.5 | 157.3 | -83.7 | -22.8 | 0 | 0 | 0 | 108.3 | ||||
| 564 | V | 31.4 | Very low | 31.7 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 76% | 0.758 | 77% | 0.766 | S | S | * | * | 54 | 118.1 | 72 | -173.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 565 | D | 28.3 | Very low | 32.3 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | cis | -158.5 | -171.2 | 23.7 | -144 | -22.1 | 0 | 0 | 0 | 114.8 | ||||
| 566 | A | 29.2 | Very low | 32.9 | Very low | 91 Ų | 91 | 139.1 Ų | 139.1 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | 84.4 | 109.7 | 148.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 567 | E | 28.9 | Very low | 32.7 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | -87.3 | 141.9 | 166.6 | 167.9 | -178.5 | -159.4 | 0 | 0 | 112 | H569 | E567-H569 HydrophobicContact CG-CB 4.38Š| ||
| 568 | V | 32.5 | Very low | 32.9 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | trans | -133.2 | 107.3 | 150.6 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 569 | H | 34.2 | Very low | 33.2 | Very low | 112 Ų | 112 | 142.7 Ų | 142.7 | 52% | 0.519 | 77% | 0.769 | S | S | . | * | trans | -88.9 | 113.6 | 178.9 | -176.9 | 97.7 | 0 | 0 | 0 | 111.9 | E567 | E567-H569 HydrophobicContact CG-CB 4.38Š| ||
| 570 | A | 33.4 | Very low | 33.6 | Very low | 70 Ų | 70 | 141.2 Ų | 141.2 | 58% | 0.579 | 77% | 0.77 | S | S | * | * | trans | -140.1 | 158.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 571 | N | 40.2 | Very low | 32.8 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 71 | 20.5 | 171.7 | -50.7 | -33.4 | 0 | 0 | 0 | 118.1 | ||
| 572 | R | 38.4 | Very low | 33.4 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -91.3 | -3.1 | 169.4 | -153 | -174.9 | 165.4 | 163.8 | -2.8 | 115 | ||||
| 573 | L | 37.5 | Very low | 33.7 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -105 | 1.5 | -169.6 | -65.2 | 176.2 | 0 | 0 | 0 | 116.4 | ||
| 574 | M | 34.1 | Very low | 33.9 | Very low | 193 Ų | 193 | 145.4 Ų | 145.4 | 95% | 0.951 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -116.8 | 39.6 | 177.8 | -62.6 | -137.8 | -57.5 | 0 | 0 | 113.1 | ||
| 575 | R | 41.2 | Very low | 34.1 | Very low | 201 Ų | 201 | 146.2 Ų | 146.2 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -142.7 | 25.9 | -174.3 | -147.1 | -176 | -170.5 | 167.2 | 2.9 | 115.3 | ||
| 576 | E | 37.1 | Very low | 34.4 | Very low | 159 Ų | 159 | 148.9 Ų | 148.9 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -135.2 | 28.7 | -169.9 | -152.8 | 159 | -127.8 | 0 | 0 | 112.7 | ||
| 577 | L | 39.3 | Very low | 34.5 | Very low | 123 Ų | 123 | 152.9 Ų | 152.9 | 64% | 0.644 | 79% | 0.789 | S | S | * | * | trans | -118.7 | -8.8 | 178.9 | -111.7 | 87.2 | 0 | 0 | 0 | 115.8 | R310 F579 | R310-L577 VanDerWaalsContact NH2-CD2 3.26Å; L577-F579 PolarHBondContact O-N 3.49Å | ||
| 578 | D | 31.9 | Very low | 34.6 | Very low | 167 Ų | 167 | 152.9 Ų | 152.9 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -86.7 | 92.8 | 174.5 | -81.8 | -43 | 0 | 0 | 0 | 111.1 | ||||
| 579 | F | 34.7 | Very low | 34.5 | Very low | 181 Ų | 181 | 148.6 Ų | 148.6 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -114.4 | 68.3 | 166 | -75.6 | -81.3 | 0 | 0 | 0 | 110.3 | L577 | L577-F579 PolarHBondContact O-N 3.49Š| ||
| 580 | A | 34.6 | Very low | 34.4 | Very low | 102 Ų | 102 | 149.9 Ų | 149.9 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 122.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 581 | A | 30.2 | Very low | 34.6 | Very low | 99 Ų | 99 | 153.8 Ų | 153.8 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 164.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 582 | C | 33.4 | Very low | 34.4 | Very low | 132 Ų | 132 | 151.7 Ų | 151.7 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 143.5 | -170.5 | -51.7 | 0 | 0 | 0 | 0 | 115.4 | ||
| 583 | V | 30.7 | Very low | 34.2 | Very low | 133 Ų | 133 | 150.2 Ų | 150.2 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | -150.8 | 133.4 | 159.6 | 175.5 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 584 | E | 31.3 | Very low | 34.1 | Very low | 187 Ų | 187 | 147.3 Ų | 147.3 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | cis | -141.9 | -164.8 | -5 | -142 | -178.1 | 137.1 | 0 | 0 | 110.8 | ||||
| 585 | E | 35.3 | Very low | 34 | Very low | 143 Ų | 143 | 149.9 Ų | 149.9 | 67% | 0.668 | 80% | 0.804 | S | S | * | * | trans | -84.4 | 152.3 | -172.6 | -135.1 | -165.6 | 101.8 | 0 | 0 | 114.6 | ||||
| 586 | R | 34 | Very low | 33.7 | Very low | 206 Ų | 206 | 144.3 Ų | 144.3 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | 70 | 104.7 | 134.5 | -166.6 | -170.2 | -155.3 | 106 | -1.5 | 120.3 | ||||
| 587 | L | 31.4 | Very low | 33.3 | Very low | 176 Ų | 176 | 140 Ų | 140 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | -150 | 167.1 | 124.1 | -114.8 | 172.4 | 0 | 0 | 0 | 111.9 | |||||
| 588 | D | 30.6 | Very low | 33.2 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | -93.2 | 160.1 | -154.7 | -159.6 | -0.9 | 0 | 0 | 0 | 114.5 | ||||
| 589 | G | 31 | Very low | 33.8 | Very low | 57 Ų | 57 | 139.4 Ų | 139.4 | 59% | 0.588 | 81% | 0.814 | S | S | * | * | trans | 109.5 | 123 | 154.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 590 | V | 32.1 | Very low | 34.2 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | trans | 74.5 | 121.2 | 153.2 | -169.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 591 | I | 37 | Very low | 34.9 | Very low | 152 Ų | 152 | 141 Ų | 141 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -104.4 | 138.8 | 166.3 | -64.7 | 166.9 | 0 | 0 | 0 | 108.9 | ||||
| 592 | P | 36.9 | Very low | 36.2 | Very low | 121 Ų | 121 | 144 Ų | 144 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -114.3 | 138.6 | 134.2 | -8.5 | 27.8 | 0 | 0 | 0 | 112.2 | A594 | P592-A594 PolarHBondContact O-N 3.33Š| ||
| 593 | L | 34.6 | Very low | 36.9 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -84.2 | 109.7 | -178 | 179.3 | 69.1 | 0 | 0 | 0 | 111.3 | ||||
| 594 | A | 33.9 | Very low | 38.2 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | trans | -105 | 138.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P592 | P592-A594 PolarHBondContact O-N 3.33Š| ||
| 595 | R | 33.3 | Very low | 39.6 | Very low | 247 Ų | 247 | 138 Ų | 138 | 93% | 0.932 | 76% | 0.756 | S | S | * | * | trans | -110.7 | 120.2 | -165.7 | -178.4 | 178.2 | -176.7 | 152.6 | 0.5 | 112.7 | ||||
| 596 | G | 33.8 | Very low | 40.8 | Very low | 83 Ų | 83 | 134 Ų | 134 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 67.5 | 87.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 597 | G | 30.3 | Very low | 42.1 | Very low | 68 Ų | 68 | 130.5 Ų | 130.5 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | trans | 161.1 | 91 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V599 | G597-V599 PolarHBondContact O-N 2.88Š| ||
| 598 | V | 35.8 | Very low | 43.7 | Very low | 151 Ų | 151 | 128.6 Ų | 128.6 | 92% | 0.915 | 73% | 0.725 | S | S | * | * | trans | -76.8 | 77.3 | 171.5 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | R600 | V598-R600 PolarHBondContact O-N 3.45Å; V598-R600 VanDerWaalsContact O-N 3.09Å | ||
| 599 | V | 44.6 | Very low | 45.6 | Very low | 127 Ų | 127 | 125.3 Ų | 125.3 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | trans | -63.4 | 109.1 | 162.2 | 177 | 0 | 0 | 0 | 0 | 106.3 | G597 Q601 | G597-V599 PolarHBondContact O-N 2.88Å; V599-Q601 PolarHBondContact O-N 3.4Å | ||
| 600 | R | 43.5 | Very low | 47.3 | Very low | 139 Ų | 139 | 124 Ų | 124 | 53% | 0.525 | 69% | 0.69 | S | S | . | * | trans | -61.3 | 100 | 178.5 | 178.7 | 176.6 | 174.5 | -159 | 2.8 | 108.8 | V598 Y602 | V598-R600 PolarHBondContact O-N 3.45Å; V598-R600 VanDerWaalsContact O-N 3.09Å; R600-Y602 HydrophobicContact CB-CE2 4.08Å; R600-Y602 HydrophobicContact CG-CD2 4.18Å; R600-Y602 HydrophobicContact CG-CE1 4.44Å; R600-Y602 HydrophobicContact CG-CE2 3.87Å; R600-Y602 VanDerWaalsContact NH1-CE1 3.33Å; R600-Y602 PolarHBondContact NH1-OH 2.85Å; R600-Y602 WeakPolarHBondContact O-CD2 3.41Å; R600-Y602 WeakPolarHBondContact O-CE2 3.33Å; R600-Y602 PolarHBondContact O-N 2.99Å | ||
| 601 | Q | 49.9 | Very low | 49.1 | Very low | 178 Ų | 178 | 121.2 Ų | 121.2 | 83% | 0.832 | 67% | 0.67 | S | S | * | * | trans | -65.8 | 117.5 | 168.4 | -73.5 | 174.9 | -42.9 | 0 | 0 | 107.9 | V599 W603 | V599-Q601 PolarHBondContact O-N 3.4Å; Q601-W603 VanDerWaalsContact C-N 3.28Å | ||
| 602 | Y | 57.6 | Low | 50.7 | Low | 163 Ų | 163 | 119.1 Ų | 119.1 | 64% | 0.639 | 66% | 0.66 | S | S | * | * | trans | -89.8 | 5.9 | 177.1 | -73.8 | -93.8 | 0 | 0 | 0 | 112.6 | R600 | R600-Y602 HydrophobicContact CB-CE2 4.08Å; R600-Y602 HydrophobicContact CG-CD2 4.18Å; R600-Y602 HydrophobicContact CG-CE1 4.44Å; R600-Y602 HydrophobicContact CG-CE2 3.87Å; R600-Y602 VanDerWaalsContact NH1-CE1 3.33Å; R600-Y602 PolarHBondContact NH1-OH 2.85Å; R600-Y602 WeakPolarHBondContact O-CD2 3.41Å; R600-Y602 WeakPolarHBondContact O-CE2 3.33Å; R600-Y602 PolarHBondContact O-N 2.99Å | ||
| 603 | W | 47.6 | Very low | 52.3 | Low | 139 Ų | 139 | 116.6 Ų | 116.6 | 53% | 0.527 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -126.8 | 145.7 | -169.5 | -62.1 | 78.8 | 0 | 0 | 0 | 109.6 | Q601 D610 V614 | Q601-W603 VanDerWaalsContact C-N 3.28Å; W603-D610 WeakPolarHBondContact CA-OD2 3.36Å; W603-D610 WeakPolarHBondContact CB-OD2 3.4Å; W603-D610 HydrophobicContact CE3-CB 3.35Å; W603-D610 HydrophobicContact CZ3-CB 3.56Å; W603-V614 HydrophobicContact CH2-CG2 4.39Å |
| 604 | S | 58.8 | Low | 53.9 | Low | 57 Ų | 57 | 112.5 Ų | 112.5 | 40% | 0.399 | 63% | 0.631 | S | S | . | * | trans | -71.7 | 170 | 176.8 | 79.5 | 0 | 0 | 0 | 0 | 111.7 | S606 D610 | S604-S606 PolarHBondContact O-N 3.23Å; S604-S606 PolarHBondContact OG-N 3.49Å; S604-S606 PolarHBondContact OG-O 2.88Å; S604-D610 WeakPolarHBondContact CB-OD1 3.29Å; S604-D610 PolarHBondContact N-OD2 3.48Å; S604-D610 PolarHBondContact OG-OD1 3.12Å | ||
| 605 | S | 59.5 | Low | 55.2 | Low | 129 Ų | 129 | 109.4 Ų | 109.4 | 90% | 0.902 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -65.4 | -5.1 | 173.3 | 55.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 606 | S | 60.8 | Low | 57 | Low | 59 Ų | 59 | 100.1 Ų | 100.1 | 41% | 0.413 | 58% | 0.581 | S | S | . | * | trans | -122.5 | 79.4 | -178 | -64.8 | 0 | 0 | 0 | 0 | 110.7 | S604 L608 V609 D610 | S604-S606 PolarHBondContact O-N 3.23Å; S604-S606 PolarHBondContact OG-N 3.49Å; S604-S606 PolarHBondContact OG-O 2.88Å; S606-L608 PolarHBondContact O-N 3.26Å; S606-V609 WeakPolarHBondContact O-CB 3.5Å; S606-V609 PolarHBondContact O-N 3.41Å; S606-D610 PolarHBondContact O-N 2.85Å | ||
| 607 | F | 61 | Low | 58.2 | Low | 132 Ų | 132 | 100 Ų | 100 | 58% | 0.579 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -46 | -34.8 | 178.6 | 175.5 | -105.2 | 0 | 0 | 0 | 114.1 | V609 L611 | F607-V609 VanDerWaalsContact C-N 3.35Å; F607-V609 PolarHBondContact O-N 2.95Å; F607-L611 HydrophobicContact CE1-CD2 3.86Å; F607-L611 HydrophobicContact CZ-CD2 4.18Å; F607-L611 WeakPolarHBondContact O-CB 3.27Å; F607-L611 PolarHBondContact O-N 3.09Å |
| 608 | L | 64.9 | Low | 59.9 | Low | 136 Ų | 136 | 100.3 Ų | 100.3 | 71% | 0.712 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.9 | -33.5 | 176.2 | -66 | 174 | 0 | 0 | 0 | 113.9 | S606 L612 | S606-L608 PolarHBondContact O-N 3.26Å; L608-L612 WeakPolarHBondContact O-CB 3.34Å; L608-L612 PolarHBondContact O-N 3.12Å |
| 609 | V | 71.2 | Confident | 61.4 | Low | 90 Ų | 90 | 97.4 Ų | 97.4 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.1 | -47.3 | 179.1 | 177.2 | 0 | 0 | 0 | 0 | 109.8 | S606 F607 L612 A613 | S606-V609 WeakPolarHBondContact O-CB 3.5Å; S606-V609 PolarHBondContact O-N 3.41Å; F607-V609 VanDerWaalsContact C-N 3.35Å; F607-V609 PolarHBondContact O-N 2.95Å; V609-L612 PolarHBondContact O-N 3.38Å; V609-A613 WeakPolarHBondContact O-CB 3.17Å; V609-A613 PolarHBondContact O-N 3Å |
| 610 | D | 67.2 | Low | 62.3 | Low | 30 Ų | 30 | 93 Ų | 93 | 16% | 0.16 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -67.9 | -41.7 | 179.2 | -61.9 | 17 | 0 | 0 | 0 | 111.3 | W603 S604 S606 L612 A613 V614 | W603-D610 WeakPolarHBondContact CA-OD2 3.36Å; W603-D610 WeakPolarHBondContact CB-OD2 3.4Å; W603-D610 HydrophobicContact CE3-CB 3.35Å; W603-D610 HydrophobicContact CZ3-CB 3.56Å; S604-D610 WeakPolarHBondContact CB-OD1 3.29Å; S604-D610 PolarHBondContact N-OD2 3.48Å; S604-D610 PolarHBondContact OG-OD1 3.12Å; S606-D610 PolarHBondContact O-N 2.85Å; D610-L612 VanDerWaalsContact C-N 3.31Å; D610-L612 PolarHBondContact O-N 3.5Å; D610-A613 PolarHBondContact O-N 3.38Å; D610-V614 WeakPolarHBondContact O-CG2 3.38Å; D610-V614 PolarHBondContact O-N 2.86Å |
| 611 | L | 68.2 | Low | 63.2 | Low | 81 Ų | 81 | 90.6 Ų | 90.6 | 42% | 0.424 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.2 | -40.2 | 173.6 | -179 | 63 | 0 | 0 | 0 | 111.1 | F607 V614 A615 | F607-L611 HydrophobicContact CE1-CD2 3.86Å; F607-L611 HydrophobicContact CZ-CD2 4.18Å; F607-L611 WeakPolarHBondContact O-CB 3.27Å; F607-L611 PolarHBondContact O-N 3.09Å; L611-V614 PolarHBondContact O-N 3.47Å; L611-A615 WeakPolarHBondContact O-CB 3.15Å; L611-A615 PolarHBondContact O-N 3.46Å |
| 612 | L | 70.6 | Confident | 63.9 | Low | 108 Ų | 108 | 85.3 Ų | 85.3 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.7 | -38.1 | 174.7 | -176.3 | 62.2 | 0 | 0 | 0 | 111.9 | L608 V609 D610 V614 A615 A616 | L608-L612 WeakPolarHBondContact O-CB 3.34Å; L608-L612 PolarHBondContact O-N 3.12Å; V609-L612 PolarHBondContact O-N 3.38Å; D610-L612 VanDerWaalsContact C-N 3.31Å; D610-L612 PolarHBondContact O-N 3.5Å; L612-V614 VanDerWaalsContact C-N 3.33Å; L612-V614 PolarHBondContact O-N 3.28Å; L612-A615 PolarHBondContact O-N 3.27Å; L612-A616 WeakPolarHBondContact O-CB 3.46Å; L612-A616 PolarHBondContact O-N 3.24Å |
| 613 | A | 71 | Confident | 64.4 | Low | 67 Ų | 67 | 82.5 Ų | 82.5 | 55% | 0.554 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.8 | -33.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | V609 D610 P617 | V609-A613 WeakPolarHBondContact O-CB 3.17Å; V609-A613 PolarHBondContact O-N 3Å; D610-A613 PolarHBondContact O-N 3.38Å; A613-P617 WeakPolarHBondContact O-CD 3.48Å; A613-P617 WeakPolarHBondContact O-CG 3.34Å |
| 614 | V | 67.5 | Low | 65.4 | Low | 82 Ų | 82 | 83.1 Ų | 83.1 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -82 | -35.6 | 174.2 | 174.8 | 0 | 0 | 0 | 0 | 112 | W603 D610 L611 L612 V618 | W603-V614 HydrophobicContact CH2-CG2 4.39Å; D610-V614 WeakPolarHBondContact O-CG2 3.38Å; D610-V614 PolarHBondContact O-N 2.86Å; L611-V614 PolarHBondContact O-N 3.47Å; L612-V614 VanDerWaalsContact C-N 3.33Å; L612-V614 PolarHBondContact O-N 3.28Å; V614-V618 WeakPolarHBondContact O-CG2 3.33Å |
| 615 | A | 63.1 | Low | 65.6 | Low | 32 Ų | 32 | 82.7 Ų | 82.7 | 26% | 0.264 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -77.1 | -39.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L611 L612 V618 V619 | L611-A615 WeakPolarHBondContact O-CB 3.15Å; L611-A615 PolarHBondContact O-N 3.46Å; L612-A615 PolarHBondContact O-N 3.27Å; A615-V618 PolarHBondContact O-N 3.03Å; A615-V619 HydrophobicContact CB-CG2 4.34Å; A615-V619 WeakPolarHBondContact O-CB 3.31Å; A615-V619 WeakPolarHBondContact O-CG2 3.49Å; A615-V619 PolarHBondContact O-N 3.38Å |
| 616 | A | 69.4 | Low | 65.7 | Low | 51 Ų | 51 | 83.1 Ų | 83.1 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.5 | -36.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L612 P620 | L612-A616 WeakPolarHBondContact O-CB 3.46Å; L612-A616 PolarHBondContact O-N 3.24Å; A616-P620 WeakPolarHBondContact O-CD 3.49Å |
| 617 | P | 59.3 | Low | 65.4 | Low | 81 Ų | 81 | 83.5 Ų | 83.5 | 53% | 0.526 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -77.8 | -27.5 | 171.2 | -16.8 | 32.5 | 0 | 0 | 0 | 114.2 | A613 T621 | A613-P617 WeakPolarHBondContact O-CD 3.48Å; A613-P617 WeakPolarHBondContact O-CG 3.34Å; P617-T621 PolarHBondContact O-OG1 3.06Å; P617-T621 VanDerWaalsContact O-OG1 3.07Å |
| 618 | V | 65.8 | Low | 65.1 | Low | 75 Ų | 75 | 81.1 Ų | 81.1 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -87.6 | -39.8 | -171.7 | 173.8 | 0 | 0 | 0 | 0 | 112.2 | V614 A615 T621 V622 | V614-V618 WeakPolarHBondContact O-CG2 3.33Å; A615-V618 PolarHBondContact O-N 3.03Å; V618-T621 WeakPolarHBondContact O-CB 3.29Å; V618-T621 PolarHBondContact O-N 2.89Å; V618-T621 VanDerWaalsContact O-N 3.09Å; V618-V622 HydrophobicContact CG1-CG2 3.75Å; V618-V622 WeakPolarHBondContact O-CG2 3.43Å; V618-V622 PolarHBondContact O-N 3.38Å |
| 619 | V | 68.3 | Low | 64.6 | Low | 90 Ų | 90 | 82.4 Ų | 82.4 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -55.7 | -44.6 | -178.4 | 168.1 | 0 | 0 | 0 | 0 | 113.5 | A615 T621 V622 L623 | A615-V619 HydrophobicContact CB-CG2 4.34Å; A615-V619 WeakPolarHBondContact O-CB 3.31Å; A615-V619 WeakPolarHBondContact O-CG2 3.49Å; A615-V619 PolarHBondContact O-N 3.38Å; V619-T621 VanDerWaalsContact C-N 3.31Å; V619-T621 PolarHBondContact O-N 3.4Å; V619-V622 PolarHBondContact O-N 3.18Å; V619-L623 VanDerWaalsContact O-CB 3.24Å; V619-L623 WeakPolarHBondContact O-CB 3.47Å; V619-L623 PolarHBondContact O-N 3.32Å |
| 620 | P | 62.6 | Low | 63.6 | Low | 34 Ų | 34 | 89.2 Ų | 89.2 | 22% | 0.221 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -61.4 | -40 | 175.9 | -21.5 | 32.5 | 0 | 0 | 0 | 112.7 | A616 L623 W624 I639 L643 | A616-P620 WeakPolarHBondContact O-CD 3.49Å; P620-L623 PolarHBondContact O-N 3.22Å; P620-W624 WeakPolarHBondContact O-CB 3.49Å; P620-W624 PolarHBondContact O-N 2.91Å; P620-I639 HydrophobicContact CB-CG2 4.43Å; P620-L643 HydrophobicContact CG-CD2 3.97Å |
| 621 | T | 61.8 | Low | 63 | Low | 88 Ų | 88 | 91.2 Ų | 91.2 | 54% | 0.54 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69 | -41.8 | -177.5 | -42.5 | 0 | 0 | 0 | 0 | 111.3 | P617 V618 V619 A625 | P617-T621 PolarHBondContact O-OG1 3.06Å; P617-T621 VanDerWaalsContact O-OG1 3.07Å; V618-T621 WeakPolarHBondContact O-CB 3.29Å; V618-T621 PolarHBondContact O-N 2.89Å; V618-T621 VanDerWaalsContact O-N 3.09Å; V619-T621 VanDerWaalsContact C-N 3.31Å; V619-T621 PolarHBondContact O-N 3.4Å; T621-A625 WeakPolarHBondContact O-CB 3.41Å; T621-A625 PolarHBondContact O-N 3.24Å |
| 622 | V | 64.7 | Low | 61.8 | Low | 67 Ų | 67 | 90.4 Ų | 90.4 | 41% | 0.406 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.3 | -42.3 | 175.3 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | V618 V619 W624 A625 F626 | V618-V622 HydrophobicContact CG1-CG2 3.75Å; V618-V622 WeakPolarHBondContact O-CG2 3.43Å; V618-V622 PolarHBondContact O-N 3.38Å; V619-V622 PolarHBondContact O-N 3.18Å; V622-W624 VanDerWaalsContact C-N 3.32Å; V622-W624 PolarHBondContact O-N 2.67Å; V622-A625 PolarHBondContact O-N 3.18Å; V622-F626 HydrophobicContact CG1-CD2 3.68Å; V622-F626 HydrophobicContact CG1-CE2 3.55Å; V622-F626 VanDerWaalsContact O-CD2 3.3Å; V622-F626 WeakPolarHBondContact O-CD2 3.34Å; V622-F626 PolarHBondContact O-N 3.14Å |
| 623 | L | 69.6 | Low | 60.9 | Low | 105 Ų | 105 | 91.8 Ų | 91.8 | 55% | 0.55 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64 | -37.3 | 176.5 | -175.1 | 61.4 | 0 | 0 | 0 | 111.9 | V619 P620 S627 | V619-L623 VanDerWaalsContact O-CB 3.24Å; V619-L623 WeakPolarHBondContact O-CB 3.47Å; V619-L623 PolarHBondContact O-N 3.32Å; P620-L623 PolarHBondContact O-N 3.22Å; L623-S627 WeakPolarHBondContact O-CB 3.26Å; L623-S627 PolarHBondContact O-N 3.31Å; L623-S627 PolarHBondContact O-OG 3.13Å |
| 624 | W | 67.6 | Low | 59.9 | Low | 151 Ų | 151 | 95.1 Ų | 95.1 | 57% | 0.572 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.5 | -45.5 | 172.5 | 179.9 | 80 | 0 | 0 | 0 | 111.9 | P620 V622 F626 S627 T628 | P620-W624 WeakPolarHBondContact O-CB 3.49Å; P620-W624 PolarHBondContact O-N 2.91Å; V622-W624 VanDerWaalsContact C-N 3.32Å; V622-W624 PolarHBondContact O-N 2.67Å; W624-F626 PolarHBondContact O-N 3.27Å; W624-S627 WeakPolarHBondContact O-CB 3.37Å; W624-S627 PolarHBondContact O-N 3.19Å; W624-T628 HydrophobicContact CZ2-CG2 4.31Å; W624-T628 PolarHBondContact O-N 3.33Å |
| 625 | A | 64.5 | Low | 59.1 | Low | 48 Ų | 48 | 95.3 Ų | 95.3 | 40% | 0.397 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.4 | -36.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T621 V622 S627 T628 | T621-A625 WeakPolarHBondContact O-CB 3.41Å; T621-A625 PolarHBondContact O-N 3.24Å; V622-A625 PolarHBondContact O-N 3.18Å; A625-S627 VanDerWaalsContact C-N 3.35Å; A625-T628 PolarHBondContact O-OG1 3.05Å; A625-T628 VanDerWaalsContact O-OG1 3.05Å |
| 626 | F | 60.5 | Low | 58.6 | Low | 139 Ų | 139 | 99.6 Ų | 99.6 | 61% | 0.61 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.9 | -25.8 | 171.4 | -79.4 | -61.5 | 0 | 0 | 0 | 113.3 | V622 W624 | V622-F626 HydrophobicContact CG1-CD2 3.68Å; V622-F626 HydrophobicContact CG1-CE2 3.55Å; V622-F626 VanDerWaalsContact O-CD2 3.3Å; V622-F626 WeakPolarHBondContact O-CD2 3.34Å; V622-F626 PolarHBondContact O-N 3.14Å; W624-F626 PolarHBondContact O-N 3.27Å |
| 627 | S | 55.6 | Low | 58 | Low | 67 Ų | 67 | 106.7 Ų | 106.7 | 47% | 0.469 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -72.5 | -40 | 176.5 | -59.7 | 0 | 0 | 0 | 0 | 112 | L623 W624 A625 Q629 R630 | L623-S627 WeakPolarHBondContact O-CB 3.26Å; L623-S627 PolarHBondContact O-N 3.31Å; L623-S627 PolarHBondContact O-OG 3.13Å; W624-S627 WeakPolarHBondContact O-CB 3.37Å; W624-S627 PolarHBondContact O-N 3.19Å; A625-S627 VanDerWaalsContact C-N 3.35Å; S627-Q629 VanDerWaalsContact C-N 3.34Å; S627-Q629 PolarHBondContact O-N 3.48Å; S627-R630 PolarHBondContact O-N 3.13Å |
| 628 | T | 54.6 | Low | 58 | Low | 82 Ų | 82 | 109 Ų | 109 | 50% | 0.503 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.2 | -31.3 | 178.9 | 55.4 | 0 | 0 | 0 | 0 | 112.7 | W624 A625 R630 G631 | W624-T628 HydrophobicContact CZ2-CG2 4.31Å; W624-T628 PolarHBondContact O-N 3.33Å; A625-T628 PolarHBondContact O-OG1 3.05Å; A625-T628 VanDerWaalsContact O-OG1 3.05Å; T628-R630 PolarHBondContact O-N 2.78Å; T628-R630 VanDerWaalsContact O-N 3.14Å; T628-G631 PolarHBondContact O-N 3.13Å |
| 629 | Q | 54.1 | Low | 57.7 | Low | 162 Ų | 162 | 109 Ų | 109 | 76% | 0.757 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -15 | 173.9 | -86.7 | -170.1 | -6.7 | 0 | 0 | 114.7 | S627 | S627-Q629 VanDerWaalsContact C-N 3.34Å; S627-Q629 PolarHBondContact O-N 3.48Å |
| 630 | R | 49.6 | Very low | 57.4 | Low | 234 Ų | 234 | 106.3 Ų | 106.3 | 88% | 0.883 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 13.9 | -177.6 | -137.5 | 177.5 | -167.5 | 116.1 | 3 | 115.2 | S627 T628 G632 | S627-R630 PolarHBondContact O-N 3.13Å; T628-R630 PolarHBondContact O-N 2.78Å; T628-R630 VanDerWaalsContact O-N 3.14Å; R630-G632 PolarHBondContact O-N 2.86Å |
| 631 | G | 54.1 | Low | 57.4 | Low | 72 Ų | 72 | 107.4 Ų | 107.4 | 74% | 0.742 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.2 | 22.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | T628 | T628-G631 PolarHBondContact O-N 3.13Š|
| 632 | G | 43.2 | Very low | 57.5 | Low | 64 Ų | 64 | 109.4 Ų | 109.4 | 66% | 0.66 | 61% | 0.609 | S | S | * | * | trans | -85.9 | 131.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R630 | R630-G632 PolarHBondContact O-N 2.86Š| ||
| 633 | T | 52.7 | Low | 57.5 | Low | 136 Ų | 136 | 109.7 Ų | 109.7 | 83% | 0.834 | 61% | 0.607 | S | S | * | * | trans | -77.6 | 136.1 | 175.6 | 50.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 634 | D | 48.9 | Very low | 57.7 | Low | 138 Ų | 138 | 113.8 Ų | 113.8 | 74% | 0.738 | 62% | 0.615 | S | S | * | * | trans | 49.8 | 112.5 | 161.3 | -154.4 | 25.5 | 0 | 0 | 0 | 118.2 | V636 | D634-V636 PolarHBondContact O-N 3.2Š| ||
| 635 | P | 51.6 | Low | 57.9 | Low | 85 Ų | 85 | 108.3 Ų | 108.3 | 55% | 0.552 | 61% | 0.606 | S | S | * | * | trans | -74 | 91.8 | -178.7 | 31 | -35.4 | 0 | 0 | 0 | 112.4 | Y637 | P635-Y637 PolarHBondContact O-N 2.91Š| ||
| 636 | V | 52.7 | Low | 58 | Low | 122 Ų | 122 | 109.9 Ų | 109.9 | 74% | 0.739 | 61% | 0.613 | S | S | * | * | trans | -54.8 | -12.9 | 175.8 | 178.6 | 0 | 0 | 0 | 0 | 114 | D634 | D634-V636 PolarHBondContact O-N 3.2Š| ||
| 637 | Y | 55.9 | Low | 58.3 | Low | 200 Ų | 200 | 106.9 Ų | 106.9 | 78% | 0.784 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -103.5 | 112.9 | 175.5 | -63 | -75.6 | 0 | 0 | 0 | 112 | P635 I639 | P635-Y637 PolarHBondContact O-N 2.91Å; Y637-I639 PolarHBondContact O-N 2.83Å |
| 638 | N | 59.8 | Low | 59 | Low | 129 Ų | 129 | 108.2 Ų | 108.2 | 69% | 0.69 | 61% | 0.614 | S | S | * | * | trans | -54.9 | 108.3 | 178.7 | -113.8 | -82.8 | 0 | 0 | 0 | 111.7 | G640 A641 L642 | N638-G640 PolarHBondContact O-N 3.09Å; N638-A641 HydrophobicContact CB-CB 3.87Å; N638-A641 WeakPolarHBondContact O-CA 3.41Å; N638-A641 WeakPolarHBondContact O-CB 3.23Å; N638-A641 PolarHBondContact O-N 2.94Å; N638-L642 PolarHBondContact O-N 3.31Å; N638-L642 VanDerWaalsContact O-N 3.09Å | ||
| 639 | I | 60.4 | Low | 59.8 | Low | 75 Ų | 75 | 108.7 Ų | 108.7 | 39% | 0.385 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -56.7 | -37.2 | 177.5 | -60.3 | 169.5 | 0 | 0 | 0 | 110.4 | P620 Y637 A641 L642 L643 | P620-I639 HydrophobicContact CB-CG2 4.43Å; Y637-I639 PolarHBondContact O-N 2.83Å; I639-A641 VanDerWaalsContact C-N 3.25Å; I639-A641 PolarHBondContact O-N 3.33Å; I639-L642 PolarHBondContact O-N 2.7Å; I639-L643 HydrophobicContact CG2-CD1 4.03Å; I639-L643 HydrophobicContact CG2-CG 4.41Å; I639-L643 WeakPolarHBondContact O-CB 3.44Å; I639-L643 WeakPolarHBondContact O-CG 3.3Å; I639-L643 PolarHBondContact O-N 2.79Å |
| 640 | G | 60.3 | Low | 60.5 | Low | 34 Ų | 34 | 102.8 Ų | 102.8 | 35% | 0.351 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.8 | -17.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N638 R644 | N638-G640 PolarHBondContact O-N 3.09Å; G640-R644 VanDerWaalsContact O-CD 3.26Å; G640-R644 WeakPolarHBondContact O-CD 3.44Å; G640-R644 WeakPolarHBondContact O-CG 3.45Å; G640-R644 PolarHBondContact O-NE 2.69Å; G640-R644 VanDerWaalsContact O-NE 3.17Å |
| 641 | A | 63.5 | Low | 61.3 | Low | 58 Ų | 58 | 96.4 Ų | 96.4 | 48% | 0.479 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -87 | -41 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | N638 I639 L643 R644 G645 | N638-A641 HydrophobicContact CB-CB 3.87Å; N638-A641 WeakPolarHBondContact O-CA 3.41Å; N638-A641 WeakPolarHBondContact O-CB 3.23Å; N638-A641 PolarHBondContact O-N 2.94Å; I639-A641 VanDerWaalsContact C-N 3.25Å; I639-A641 PolarHBondContact O-N 3.33Å; A641-L643 VanDerWaalsContact C-N 3.35Å; A641-L643 PolarHBondContact O-N 3.5Å; A641-R644 PolarHBondContact O-N 3.36Å; A641-G645 PolarHBondContact O-N 2.89Å |
| 642 | L | 63.3 | Low | 61.6 | Low | 130 Ų | 130 | 97.3 Ų | 97.3 | 68% | 0.681 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.9 | -43.2 | 175.2 | -165.4 | 76.2 | 0 | 0 | 0 | 111.6 | N638 I639 G645 C646 | N638-L642 PolarHBondContact O-N 3.31Å; N638-L642 VanDerWaalsContact O-N 3.09Å; I639-L642 PolarHBondContact O-N 2.7Å; L642-G645 PolarHBondContact O-N 3.29Å; L642-C646 WeakPolarHBondContact O-CB 3.42Å; L642-C646 PolarHBondContact O-N 3.27Å |
| 643 | L | 66.4 | Low | 62.4 | Low | 73 Ų | 73 | 97.2 Ų | 97.2 | 38% | 0.382 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.3 | -45.1 | 174.9 | -76 | 169.7 | 0 | 0 | 0 | 112.2 | P620 I639 A641 G645 C646 C647 | P620-L643 HydrophobicContact CG-CD2 3.97Å; I639-L643 HydrophobicContact CG2-CD1 4.03Å; I639-L643 HydrophobicContact CG2-CG 4.41Å; I639-L643 WeakPolarHBondContact O-CB 3.44Å; I639-L643 WeakPolarHBondContact O-CG 3.3Å; I639-L643 PolarHBondContact O-N 2.79Å; A641-L643 VanDerWaalsContact C-N 3.35Å; A641-L643 PolarHBondContact O-N 3.5Å; L643-G645 VanDerWaalsContact C-N 3.33Å; L643-G645 PolarHBondContact O-N 2.92Å; L643-C646 PolarHBondContact O-N 3.49Å; L643-C647 WeakPolarHBondContact O-CB 3.45Å; L643-C647 PolarHBondContact O-N 2.89Å; L643-C647 PolarHBondContact O-SG 2.82Å |
| 644 | R | 73.1 | Confident | 62.7 | Low | 190 Ų | 190 | 96.1 Ų | 96.1 | 72% | 0.717 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.1 | -42.7 | 174.9 | -72.1 | 171.3 | -154.9 | -134.3 | 3.7 | 111.4 | G640 A641 C647 V648 | G640-R644 VanDerWaalsContact O-CD 3.26Å; G640-R644 WeakPolarHBondContact O-CD 3.44Å; G640-R644 WeakPolarHBondContact O-CG 3.45Å; G640-R644 PolarHBondContact O-NE 2.69Å; G640-R644 VanDerWaalsContact O-NE 3.17Å; A641-R644 PolarHBondContact O-N 3.36Å; R644-C647 PolarHBondContact O-N 2.9Å; R644-V648 WeakPolarHBondContact O-CB 3.32Å; R644-V648 VanDerWaalsContact O-CG2 3.28Å; R644-V648 WeakPolarHBondContact O-CG2 3.47Å; R644-V648 PolarHBondContact O-N 2.82Å |
| 645 | G | 70.8 | Confident | 63.2 | Low | 36 Ų | 36 | 97.9 Ų | 97.9 | 37% | 0.371 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A641 L642 L643 C647 V648 V649 | A641-G645 PolarHBondContact O-N 2.89Å; L642-G645 PolarHBondContact O-N 3.29Å; L643-G645 VanDerWaalsContact C-N 3.33Å; L643-G645 PolarHBondContact O-N 2.92Å; G645-C647 PolarHBondContact O-N 3.44Å; G645-V648 PolarHBondContact O-N 2.93Å; G645-V649 WeakPolarHBondContact O-CG2 3.45Å; G645-V649 PolarHBondContact O-N 2.89Å |
| 646 | C | 66.4 | Low | 63.2 | Low | 82 Ų | 82 | 101.8 Ų | 101.8 | 55% | 0.554 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.4 | -47.6 | 177.4 | -170.2 | 0 | 0 | 0 | 0 | 111.9 | L642 L643 V648 V649 A650 | L642-C646 WeakPolarHBondContact O-CB 3.42Å; L642-C646 PolarHBondContact O-N 3.27Å; L643-C646 PolarHBondContact O-N 3.49Å; C646-V648 PolarHBondContact O-N 3.28Å; C646-V649 PolarHBondContact O-N 3.39Å; C646-A650 WeakPolarHBondContact O-CB 3.49Å; C646-A650 PolarHBondContact O-N 2.9Å |
| 647 | C | 66.6 | Low | 63 | Low | 75 Ų | 75 | 100.5 Ų | 100.5 | 51% | 0.507 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 176.2 | -67.9 | 0 | 0 | 0 | 0 | 112.5 | L643 R644 G645 A650 L651 | L643-C647 WeakPolarHBondContact O-CB 3.45Å; L643-C647 PolarHBondContact O-N 2.89Å; L643-C647 PolarHBondContact O-SG 2.82Å; R644-C647 PolarHBondContact O-N 2.9Å; G645-C647 PolarHBondContact O-N 3.44Å; C647-A650 PolarHBondContact O-N 3.38Å; C647-L651 WeakPolarHBondContact O-CB 3.48Å; C647-L651 VanDerWaalsContact O-CG 3.23Å; C647-L651 WeakPolarHBondContact O-CG 3.27Å; C647-L651 PolarHBondContact O-N 2.83Å |
| 648 | V | 71.1 | Confident | 62.6 | Low | 96 Ų | 96 | 94.1 Ų | 94.1 | 58% | 0.582 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.3 | -41.1 | 176.7 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | R644 G645 C646 L651 H652 | R644-V648 WeakPolarHBondContact O-CB 3.32Å; R644-V648 VanDerWaalsContact O-CG2 3.28Å; R644-V648 WeakPolarHBondContact O-CG2 3.47Å; R644-V648 PolarHBondContact O-N 2.82Å; G645-V648 PolarHBondContact O-N 2.93Å; C646-V648 PolarHBondContact O-N 3.28Å; V648-L651 PolarHBondContact O-N 3.29Å; V648-H652 VanDerWaalsContact O-CB 3.25Å; V648-H652 WeakPolarHBondContact O-CB 3.29Å; V648-H652 PolarHBondContact O-N 2.86Å |
| 649 | V | 70.9 | Confident | 62.1 | Low | 91 Ų | 91 | 96.7 Ų | 96.7 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.4 | -43.8 | 175.4 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | G645 C646 H652 S653 | G645-V649 WeakPolarHBondContact O-CG2 3.45Å; G645-V649 PolarHBondContact O-N 2.89Å; C646-V649 PolarHBondContact O-N 3.39Å; V649-H652 PolarHBondContact O-N 2.91Å; V649-S653 PolarHBondContact O-N 3.21Å; V649-S653 PolarHBondContact O-OG 3.38Å |
| 650 | A | 68.9 | Low | 61.3 | Low | 38 Ų | 38 | 100.4 Ų | 100.4 | 31% | 0.314 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | C646 C647 H652 S653 L654 | C646-A650 WeakPolarHBondContact O-CB 3.49Å; C646-A650 PolarHBondContact O-N 2.9Å; C647-A650 PolarHBondContact O-N 3.38Å; A650-H652 VanDerWaalsContact C-N 3.34Å; A650-H652 PolarHBondContact O-N 3.48Å; A650-S653 PolarHBondContact O-N 3.29Å; A650-L654 WeakPolarHBondContact O-CB 3.39Å; A650-L654 WeakPolarHBondContact O-CG 3.4Å; A650-L654 PolarHBondContact O-N 2.91Å |
| 651 | L | 66.7 | Low | 60.4 | Low | 100 Ų | 100 | 105.9 Ų | 105.9 | 52% | 0.524 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.4 | -35.9 | 175.3 | -73 | 168.8 | 0 | 0 | 0 | 112.6 | C647 V648 R655 | C647-L651 WeakPolarHBondContact O-CB 3.48Å; C647-L651 VanDerWaalsContact O-CG 3.23Å; C647-L651 WeakPolarHBondContact O-CG 3.27Å; C647-L651 PolarHBondContact O-N 2.83Å; V648-L651 PolarHBondContact O-N 3.29Å; L651-R655 WeakPolarHBondContact O-CB 3.25Å; L651-R655 VanDerWaalsContact O-CG 3.28Å; L651-R655 WeakPolarHBondContact O-CG 3.34Å; L651-R655 PolarHBondContact O-N 3.37Å |
| 652 | H | 61.5 | Low | 59.3 | Low | 91 Ų | 91 | 111.9 Ų | 111.9 | 42% | 0.421 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69 | -39.6 | 174.5 | 172.6 | -112.4 | 0 | 0 | 0 | 111.9 | V648 V649 A650 R655 R656 | V648-H652 VanDerWaalsContact O-CB 3.25Å; V648-H652 WeakPolarHBondContact O-CB 3.29Å; V648-H652 PolarHBondContact O-N 2.86Å; V649-H652 PolarHBondContact O-N 2.91Å; A650-H652 VanDerWaalsContact C-N 3.34Å; A650-H652 PolarHBondContact O-N 3.48Å; H652-R655 PolarHBondContact O-N 2.75Å; H652-R656 PolarHBondContact CE1-NE 2.88Å; H652-R656 PolarHBondContact CE1-NH2 3.35Å; H652-R656 VanDerWaalsContact CE1-NH2 3.33Å; H652-R656 PolarHBondContact NE2-NE 3.29Å; H652-R656 PolarHBondContact NE2-NH2 2.77Å; H652-R656 WeakPolarHBondContact O-CG 3.48Å; H652-R656 PolarHBondContact O-N 3.3Å |
| 653 | S | 58.8 | Low | 57.9 | Low | 62 Ų | 62 | 115.3 Ų | 115.3 | 43% | 0.434 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.6 | -45.2 | 173 | -66.8 | 0 | 0 | 0 | 0 | 112.2 | V649 A650 R655 R656 T657 | V649-S653 PolarHBondContact O-N 3.21Å; V649-S653 PolarHBondContact O-OG 3.38Å; A650-S653 PolarHBondContact O-N 3.29Å; S653-R655 VanDerWaalsContact C-N 3.29Å; S653-R655 PolarHBondContact O-N 2.98Å; S653-R656 PolarHBondContact O-N 3.18Å; S653-R656 VanDerWaalsContact O-N 3.09Å; S653-T657 PolarHBondContact O-N 2.92Å; S653-T657 PolarHBondContact O-OG1 2.97Å |
| 654 | L | 58.7 | Low | 57.5 | Low | 114 Ų | 114 | 117.5 Ų | 117.5 | 60% | 0.597 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -59.3 | -37.8 | 174 | -77.2 | 163.3 | 0 | 0 | 0 | 112.5 | A650 T657 A658 | A650-L654 WeakPolarHBondContact O-CB 3.39Å; A650-L654 WeakPolarHBondContact O-CG 3.4Å; A650-L654 PolarHBondContact O-N 2.91Å; L654-T657 PolarHBondContact O-OG1 2.73Å; L654-T657 VanDerWaalsContact O-OG1 3.08Å; L654-A658 WeakPolarHBondContact O-CB 3.45Å; L654-A658 PolarHBondContact O-N 3.47Å |
| 655 | R | 59.1 | Low | 56.7 | Low | 175 Ų | 175 | 113.6 Ų | 113.6 | 66% | 0.66 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.1 | -37.6 | 173.3 | -74.5 | 173.2 | 179.6 | -171.2 | -0.7 | 112.1 | L651 H652 S653 F659 | L651-R655 WeakPolarHBondContact O-CB 3.25Å; L651-R655 VanDerWaalsContact O-CG 3.28Å; L651-R655 WeakPolarHBondContact O-CG 3.34Å; L651-R655 PolarHBondContact O-N 3.37Å; H652-R655 PolarHBondContact O-N 2.75Å; S653-R655 VanDerWaalsContact C-N 3.29Å; S653-R655 PolarHBondContact O-N 2.98Å; R655-F659 WeakPolarHBondContact O-CD2 3.5Å; R655-F659 PolarHBondContact O-N 3.34Å |
| 656 | R | 53 | Low | 55.9 | Low | 167 Ų | 167 | 117.9 Ų | 117.9 | 63% | 0.63 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71 | -35.5 | 176.8 | -74.2 | -167.6 | -174.4 | -145.9 | 2.6 | 113.5 | H652 S653 F659 H660 | H652-R656 PolarHBondContact CE1-NE 2.88Å; H652-R656 PolarHBondContact CE1-NH2 3.35Å; H652-R656 VanDerWaalsContact CE1-NH2 3.33Å; H652-R656 PolarHBondContact NE2-NE 3.29Å; H652-R656 PolarHBondContact NE2-NH2 2.77Å; H652-R656 WeakPolarHBondContact O-CG 3.48Å; H652-R656 PolarHBondContact O-N 3.3Å; S653-R656 PolarHBondContact O-N 3.18Å; S653-R656 VanDerWaalsContact O-N 3.09Å; R656-F659 PolarHBondContact O-N 2.87Å; R656-H660 PolarHBondContact O-N 3.06Å |
| 657 | T | 48.2 | Very low | 55.3 | Low | 95 Ų | 95 | 120.1 Ų | 120.1 | 58% | 0.583 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.2 | -36.7 | 174.1 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | S653 L654 F659 H660 | S653-T657 PolarHBondContact O-N 2.92Å; S653-T657 PolarHBondContact O-OG1 2.97Å; L654-T657 PolarHBondContact O-OG1 2.73Å; L654-T657 VanDerWaalsContact O-OG1 3.08Å; T657-F659 PolarHBondContact O-N 2.96Å; T657-H660 PolarHBondContact O-N 3.18Å; T657-H660 VanDerWaalsContact O-N 3.12Å |
| 658 | A | 48 | Very low | 54.6 | Low | 65 Ų | 65 | 122.9 Ų | 122.9 | 54% | 0.537 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -60.4 | -29.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L654 | L654-A658 WeakPolarHBondContact O-CB 3.45Å; L654-A658 PolarHBondContact O-N 3.47Å |
| 659 | F | 48.6 | Very low | 53.5 | Low | 183 Ų | 183 | 124.7 Ų | 124.7 | 80% | 0.803 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 8.2 | 176.1 | -70.7 | -60.4 | 0 | 0 | 0 | 114.9 | R655 R656 T657 | R655-F659 WeakPolarHBondContact O-CD2 3.5Å; R655-F659 PolarHBondContact O-N 3.34Å; R656-F659 PolarHBondContact O-N 2.87Å; T657-F659 PolarHBondContact O-N 2.96Å |
| 660 | H | 44.2 | Very low | 52.3 | Low | 153 Ų | 153 | 127.1 Ų | 127.1 | 71% | 0.708 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | 17.5 | 175.7 | -146.9 | -61.8 | 0 | 0 | 0 | 113.7 | R656 T657 K662 | R656-H660 PolarHBondContact O-N 3.06Å; T657-H660 PolarHBondContact O-N 3.18Å; T657-H660 VanDerWaalsContact O-N 3.12Å; H660-K662 PolarHBondContact O-N 3.06Å |
| 661 | I | 41.5 | Very low | 51 | Low | 150 Ų | 150 | 133.9 Ų | 133.9 | 77% | 0.769 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -71.6 | 113.9 | 159.5 | -62.4 | 177.9 | 0 | 0 | 0 | 106.9 | ||
| 662 | K | 38.6 | Very low | 49.7 | Very low | 183 Ų | 183 | 136.8 Ų | 136.8 | 80% | 0.796 | 68% | 0.682 | S | S | * | * | trans | -82.7 | 135.6 | -163.8 | -164.4 | -179.5 | -179.2 | -174.9 | 0 | 111.5 | H660 | H660-K662 PolarHBondContact O-N 3.06Š| ||
| 663 | T | 35.8 | Very low | 48.6 | Very low | 203 Ų | 203 | 140.9 Ų | 140.9 | 100% | 1.245 | 71% | 0.706 | S | S | * | * | trans | -71.8 | 0 | 161.5 | 55.2 | 0 | 0 | 0 | 0 | 111.1 |
Retrieved 663 of 663 residues in 82.5 ms
(Link to these results)